A0A087XZM2_POEFO Loading...

Gem (nuclear organelle) associated protein 4

AlphaFold DB , UniProt , Accession A0A087XZM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,117 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
1M28.3Very low61.2Low239 Ų23996.8 Ų96.8100%1.17753%0.528SS*.  0144.20-70.4152.97000107.8L3M1-L3 PolarHBondContact O-N 2.66Å
2A28.1Very low63.3Low99 Ų9988.8 Ų88.882%0.81848%0.484SS*.  trans-78.5113.6176.400000109.7I4A2-I4 PolarHBondContact O-N 2.93Å
3L38.2Very low65.2Low147 Ų14786.3 Ų86.377%0.7747%0.467SS*.  trans-77106.2174-83.6161.8000109.2M1 M5M1-L3 PolarHBondContact O-N 2.66Å; L3-M5 PolarHBondContact O-N 3.03Å
4I38.7Very low66.7Low162 Ų16282.9 Ų82.983%0.83146%0.462SS*.PPolyproline II helixtrans-67.2119.3168.6-59.8174.1000107.2A2 N6A2-I4 PolarHBondContact O-N 2.93Å; I4-N6 PolarHBondContact O-N 3.08Å
5M53.9Low68.3Low77 Ų7777.8 Ų77.838%0.37944%0.435SS..PPolyproline II helixtrans-64.3133.8173.9-75.118066.100110L3 Q13L3-M5 PolarHBondContact O-N 3.03Å; M5-Q13 HydrophobicContact CE-CB 4.41Å
6N71.6Confident69.6Low81 Ų8173 Ų7343%0.43341%0.408SS..PPolyproline II helixtrans-63148.3172.3-175.424.7000110.3I4 D8 S9 A10I4-N6 PolarHBondContact O-N 3.08Å; N6-D8 VanDerWaalsContact C-N 3.28Å; N6-D8 PolarHBondContact ND2-OD2 3.4Å; N6-D8 PolarHBondContact O-N 3.28Å; N6-S9 WeakPolarHBondContact O-CA 3.29Å; N6-S9 WeakPolarHBondContact O-CB 3.37Å; N6-S9 PolarHBondContact O-N 3.14Å; N6-A10 PolarHBondContact O-N 2.83Å; N6-A10 VanDerWaalsContact O-N 3.12Å
7K78.8Confident70.7Confident140 Ų14073.1 Ų73.161%0.60941%0.407SS*.Hα-helixtrans-48.6-50.7179-175.1-160.6173.8-144.70111.2S9 A10 I11K7-S9 VanDerWaalsContact C-N 3.27Å; K7-S9 PolarHBondContact O-N 3.31Å; K7-A10 WeakPolarHBondContact O-CB 3.29Å; K7-A10 PolarHBondContact O-N 2.92Å; K7-I11 HydrophobicContact CD-CD1 4.44Å; K7-I11 HydrophobicContact CG-CD1 4.16Å; K7-I11 WeakPolarHBondContact O-CG1 3.22Å; K7-I11 PolarHBondContact O-N 3.18Å
8D82.8Confident71.7Confident26 Ų2675.1 Ų75.114%0.13941%0.413CS..Hα-helixtrans-59.9-36.8-178.7-43.5-21.3000112.1N6 I11 L12 I50 W67N6-D8 VanDerWaalsContact C-N 3.28Å; N6-D8 PolarHBondContact ND2-OD2 3.4Å; N6-D8 PolarHBondContact O-N 3.28Å; D8-I11 PolarHBondContact O-N 2.65Å; D8-L12 PolarHBondContact O-N 2.91Å; D8-I50 HydrophobicContact CB-CD1 4.01Å; D8-I50 HydrophobicContact CB-CG1 4Å; D8-I50 HydrophobicContact CB-CG2 4.05Å; D8-I50 VanDerWaalsContact O-CD1 3.23Å; D8-I50 WeakPolarHBondContact O-CD1 3.23Å; D8-W67 HydrophobicContact CB-CH2 3.89Å; D8-W67 HydrophobicContact CB-CZ2 3.45Å; D8-W67 VanDerWaalsContact CB-CZ2 3.45Å; D8-W67 WeakPolarHBondContact OD2-CZ2 3.36Å
9S82.4Confident72.6Confident9 Ų971.2 Ų71.26%0.06339%0.391CS..Hα-helixtrans-69.8-34.3176.1-62.30000112.6N6 K7 Q13N6-S9 WeakPolarHBondContact O-CA 3.29Å; N6-S9 WeakPolarHBondContact O-CB 3.37Å; N6-S9 PolarHBondContact O-N 3.14Å; K7-S9 VanDerWaalsContact C-N 3.27Å; K7-S9 PolarHBondContact O-N 3.31Å; S9-Q13 WeakPolarHBondContact O-CB 3.46Å; S9-Q13 PolarHBondContact O-N 2.95Å
10A83.6Confident73.4Confident48 Ų4869.8 Ų69.840%0.39738%0.382SS..Hα-helixtrans-71.5-34.7173.900000112.2N6 K7 Q13 G14N6-A10 PolarHBondContact O-N 2.83Å; N6-A10 VanDerWaalsContact O-N 3.12Å; K7-A10 WeakPolarHBondContact O-CB 3.29Å; K7-A10 PolarHBondContact O-N 2.92Å; A10-Q13 PolarHBondContact O-N 2.94Å; A10-G14 PolarHBondContact O-N 3.45Å
11I86.3Confident74Confident37 Ų3773.9 Ų73.919%0.1940%0.396CS..Hα-helixtrans-62.3-49.1172.9-66.7164.9000110.2K7 D8 Q13 G14 A15 A46 I50K7-I11 HydrophobicContact CD-CD1 4.44Å; K7-I11 HydrophobicContact CG-CD1 4.16Å; K7-I11 WeakPolarHBondContact O-CG1 3.22Å; K7-I11 PolarHBondContact O-N 3.18Å; D8-I11 PolarHBondContact O-N 2.65Å; I11-Q13 PolarHBondContact O-N 2.81Å; I11-G14 PolarHBondContact O-N 2.87Å; I11-A15 PolarHBondContact O-N 3.28Å; I11-A46 HydrophobicContact CG2-CB 3.89Å; I11-I50 HydrophobicContact CB-CD1 4.19Å; I11-I50 HydrophobicContact CG2-CD1 4.09Å; I11-I50 HydrophobicContact CG2-CG1 4.43Å
12L87.1Confident76.8Confident1 Ų166 Ų661%0.00536%0.358CS..Hα-helixtrans-60.4-43.3174.6-76.1164.6000112.5D8 G14 A15 F16 A46 L47 I50 W67 I71 F104D8-L12 PolarHBondContact O-N 2.91Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.45Å; L12-A15 PolarHBondContact O-N 3.08Å; L12-F16 WeakPolarHBondContact O-CD2 3.4Å; L12-F16 PolarHBondContact O-N 2.7Å; L12-A46 HydrophobicContact CD2-CB 4.41Å; L12-L47 HydrophobicContact CD2-CD2 3.77Å; L12-L47 HydrophobicContact CD2-CG 3.92Å; L12-I50 HydrophobicContact CD1-CD1 3.88Å; L12-I50 HydrophobicContact CD2-CD1 4.2Å; L12-I50 HydrophobicContact CG-CD1 3.55Å; L12-W67 HydrophobicContact CD1-CE3 4.08Å; L12-W67 HydrophobicContact CD1-CZ3 3.98Å; L12-I71 HydrophobicContact CD1-CD1 4.45Å; L12-I71 HydrophobicContact CD2-CD1 4.49Å; L12-F104 HydrophobicContact CB-CE1 4.15Å; L12-F104 HydrophobicContact CB-CZ 4.15Å
13Q87.8Confident79.5Confident56 Ų5661.5 Ų61.526%0.26232%0.32SS..Hα-helixtrans-57.9-47.2176-171-172.21300111.4M5 S9 A10 I11 A15 F16 L17 S103M5-Q13 HydrophobicContact CE-CB 4.41Å; S9-Q13 WeakPolarHBondContact O-CB 3.46Å; S9-Q13 PolarHBondContact O-N 2.95Å; A10-Q13 PolarHBondContact O-N 2.94Å; I11-Q13 PolarHBondContact O-N 2.81Å; Q13-A15 VanDerWaalsContact C-N 3.32Å; Q13-A15 PolarHBondContact O-N 3.39Å; Q13-F16 PolarHBondContact O-N 3.05Å; Q13-L17 HydrophobicContact CG-CD1 3.99Å; Q13-L17 HydrophobicContact CG-CG 4.47Å; Q13-L17 WeakPolarHBondContact O-CB 3.35Å; Q13-L17 VanDerWaalsContact O-CG 3.31Å; Q13-L17 WeakPolarHBondContact O-CG 3.27Å; Q13-L17 PolarHBondContact O-N 3.46Å; Q13-S103 WeakPolarHBondContact CG-O 3.44Å; Q13-S103 PolarHBondContact NE2-O 2.69Å
14G86.9Confident81.3Confident39 Ų3960.2 Ų60.240%0.40231%0.314SS..Hα-helixtrans-58-43.1176.500000112.6A10 I11 L12 L17 Q18A10-G14 PolarHBondContact O-N 3.45Å; I11-G14 PolarHBondContact O-N 2.87Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.45Å; G14-L17 PolarHBondContact O-N 2.87Å; G14-Q18 WeakPolarHBondContact O-CB 3.44Å; G14-Q18 PolarHBondContact O-N 3.42Å
15A89.4Confident82.9Confident6 Ų659.1 Ų59.15%0.0532%0.317CS..Hα-helixtrans-66-44.4179.300000113.5I11 L12 Q13 Q18 A19 P42 I43 A46I11-A15 PolarHBondContact O-N 3.28Å; L12-A15 PolarHBondContact O-N 3.08Å; Q13-A15 VanDerWaalsContact C-N 3.32Å; Q13-A15 PolarHBondContact O-N 3.39Å; A15-Q18 PolarHBondContact O-N 3.3Å; A15-A19 PolarHBondContact O-N 2.65Å; A15-P42 HydrophobicContact CB-CB 4.38Å; A15-P42 WeakPolarHBondContact CB-O 3.36Å; A15-I43 HydrophobicContact CB-CG1 4.48Å; A15-A46 HydrophobicContact CB-CB 3.53Å
16F90Very high84Confident1 Ų158.3 Ų58.30%0.00432%0.319CS..Hα-helixtrans-66.2-39.1175.2-89.4-92.8000112.1L12 Q13 Q18 A19 E20 I43 I71 V75 F104 P105 V107L12-F16 WeakPolarHBondContact O-CD2 3.4Å; L12-F16 PolarHBondContact O-N 2.7Å; Q13-F16 PolarHBondContact O-N 3.05Å; F16-Q18 VanDerWaalsContact C-N 3.29Å; F16-Q18 PolarHBondContact O-N 3.2Å; F16-A19 PolarHBondContact O-N 2.87Å; F16-E20 PolarHBondContact O-N 3.4Å; F16-I43 HydrophobicContact CD1-CD1 3.81Å; F16-I43 HydrophobicContact CD1-CG1 4.43Å; F16-I43 HydrophobicContact CD2-CD1 4.24Å; F16-I43 HydrophobicContact CD2-CG1 4.02Å; F16-I43 HydrophobicContact CD2-CG2 4.27Å; F16-I43 HydrophobicContact CE1-CD1 3.73Å; F16-I43 HydrophobicContact CE2-CB 4.5Å; F16-I43 HydrophobicContact CE2-CD1 4.16Å; F16-I43 HydrophobicContact CE2-CG1 4.11Å; F16-I43 HydrophobicContact CE2-CG2 3.61Å; F16-I43 HydrophobicContact CG-CD1 4.07Å; F16-I43 HydrophobicContact CG-CG1 4.19Å; F16-I43 HydrophobicContact CZ-CD1 3.92Å; F16-I43 HydrophobicContact CZ-CG1 4.36Å; F16-I43 HydrophobicContact CZ-CG2 3.91Å; F16-I71 HydrophobicContact CE2-CD1 4.01Å; F16-I71 HydrophobicContact CZ-CD1 4.38Å; F16-V75 HydrophobicContact CE1-CG2 4.49Å; F16-V75 HydrophobicContact CZ-CG2 3.99Å; F16-F104 HydrophobicContact CB-CD1 4.26Å; F16-F104 HydrophobicContact CD2-CD1 4.27Å; F16-F104 HydrophobicContact CD2-CE1 4.17Å; F16-F104 HydrophobicContact CD2-CZ 4.31Å; F16-F104 HydrophobicContact CE2-CE2 4.37Å; F16-F104 HydrophobicContact CE2-CZ 4.39Å; F16-F104 HydrophobicContact CG-CD1 4.28Å; F16-F104 HydrophobicContact CG-CG 4.36Å; F16-P105 HydrophobicContact CB-CG 4.3Å; F16-V107 HydrophobicContact CE1-CG1 4.33Å
17L88.8Confident84.7Confident74 Ų7455.7 Ų55.739%0.38731%0.307SS..Hα-helixtrans-68.7-26.5173.7-69.9175.5000113.1Q13 G14 K21Q13-L17 HydrophobicContact CG-CD1 3.99Å; Q13-L17 HydrophobicContact CG-CG 4.47Å; Q13-L17 WeakPolarHBondContact O-CB 3.35Å; Q13-L17 VanDerWaalsContact O-CG 3.31Å; Q13-L17 WeakPolarHBondContact O-CG 3.27Å; Q13-L17 PolarHBondContact O-N 3.46Å; G14-L17 PolarHBondContact O-N 2.87Å; L17-K21 WeakPolarHBondContact O-CG 3.19Å; L17-K21 PolarHBondContact O-N 3.5Å
18Q88.8Confident85Confident110 Ų11049 Ų4951%0.51428%0.278SS..Hα-helixtrans-74-39.8170.8-175.3173.9-2.500111.4G14 A15 F16 K21 L22 P42G14-Q18 WeakPolarHBondContact O-CB 3.44Å; G14-Q18 PolarHBondContact O-N 3.42Å; A15-Q18 PolarHBondContact O-N 3.3Å; F16-Q18 VanDerWaalsContact C-N 3.29Å; F16-Q18 PolarHBondContact O-N 3.2Å; Q18-K21 PolarHBondContact O-N 3.37Å; Q18-L22 WeakPolarHBondContact O-CG 3.48Å; Q18-L22 PolarHBondContact O-N 2.82Å; Q18-P42 HydrophobicContact CB-CB 4.32Å; Q18-P42 HydrophobicContact CG-CB 4.26Å; Q18-P42 HydrophobicContact CG-CG 4.07Å
19A88.6Confident85.2Confident0 Ų049.5 Ų49.50%028%0.283CS..Hα-helixtrans-62.3-43.1174.400000112.1A15 F16 K21 L22 C23 L28 V39 I43A15-A19 PolarHBondContact O-N 2.65Å; F16-A19 PolarHBondContact O-N 2.87Å; A19-K21 VanDerWaalsContact C-N 3.3Å; A19-K21 PolarHBondContact O-N 3.36Å; A19-L22 WeakPolarHBondContact O-CA 3.31Å; A19-L22 WeakPolarHBondContact O-CB 3.29Å; A19-L22 PolarHBondContact O-N 2.97Å; A19-C23 PolarHBondContact O-N 2.85Å; A19-C23 PolarHBondContact O-SG 2.67Å; A19-L28 HydrophobicContact CB-CD1 4.06Å; A19-L28 HydrophobicContact CB-CD2 4.26Å; A19-V39 HydrophobicContact CB-CG1 4.04Å; A19-V39 WeakPolarHBondContact CB-O 3.47Å; A19-I43 HydrophobicContact CB-CD1 3.87Å; A19-I43 HydrophobicContact CB-CG1 4.21Å
20E87.1Confident85.4Confident43 Ų4352.4 Ų52.420%0.20130%0.304CS..Hα-helixtrans-58.7-40.7174.5-172.368.9176.500111.9F16 L22 C23 S27 L28 P105F16-E20 PolarHBondContact O-N 3.4Å; E20-L22 VanDerWaalsContact C-N 3.26Å; E20-L22 PolarHBondContact O-N 3.44Å; E20-C23 WeakPolarHBondContact O-CB 3.27Å; E20-C23 PolarHBondContact O-N 3.31Å; E20-C23 VanDerWaalsContact O-N 3.09Å; E20-S27 WeakPolarHBondContact OE1-CA 3.32Å; E20-S27 WeakPolarHBondContact OE1-CB 3.5Å; E20-S27 PolarHBondContact OE1-OG 2.91Å; E20-S27 PolarHBondContact OE2-OG 3.36Å; E20-L28 HydrophobicContact CB-CD1 4.1Å; E20-L28 WeakPolarHBondContact OE2-CB 3.49Å; E20-L28 WeakPolarHBondContact OE2-CD1 3.31Å; E20-L28 WeakPolarHBondContact OE2-CG 3.27Å; E20-L28 PolarHBondContact OE2-N 3.05Å; E20-P105 HydrophobicContact CB-CB 4.24Å; E20-P105 HydrophobicContact CB-CG 4.16Å; E20-P105 HydrophobicContact CG-CB 4.14Å
21K86.6Confident85.6Confident157 Ų15750.5 Ų50.568%0.68329%0.287SS*.Hα-helixtrans-65.3-27.3175.2-72.1171.8-177.8175.50113.4L17 Q18 A19 C23L17-K21 WeakPolarHBondContact O-CG 3.19Å; L17-K21 PolarHBondContact O-N 3.5Å; Q18-K21 PolarHBondContact O-N 3.37Å; A19-K21 VanDerWaalsContact C-N 3.3Å; A19-K21 PolarHBondContact O-N 3.36Å; K21-C23 VanDerWaalsContact C-N 3.31Å
22L86.7Confident85.6Confident72 Ų7251.8 Ų51.838%0.37730%0.298SS..Hα-helixtrans-82.1-7.4175-66.1170.7000113.3Q18 A19 E20 V39 P42Q18-L22 WeakPolarHBondContact O-CG 3.48Å; Q18-L22 PolarHBondContact O-N 2.82Å; A19-L22 WeakPolarHBondContact O-CA 3.31Å; A19-L22 WeakPolarHBondContact O-CB 3.29Å; A19-L22 PolarHBondContact O-N 2.97Å; E20-L22 VanDerWaalsContact C-N 3.26Å; E20-L22 PolarHBondContact O-N 3.44Å; L22-V39 HydrophobicContact CB-CG2 4.34Å; L22-P42 HydrophobicContact CD1-CG 3.9Å
23C84.8Confident85.7Confident5 Ų552.4 Ų52.43%0.03430%0.3CS..Hα-helixtrans-90.2-20.5174.6-63.30000113.8A19 E20 K21 S26 V39A19-C23 PolarHBondContact O-N 2.85Å; A19-C23 PolarHBondContact O-SG 2.67Å; E20-C23 WeakPolarHBondContact O-CB 3.27Å; E20-C23 PolarHBondContact O-N 3.31Å; E20-C23 VanDerWaalsContact O-N 3.09Å; K21-C23 VanDerWaalsContact C-N 3.31Å; C23-S26 CarbonylContact C-O 3.41Å; C23-S26 WeakPolarHBondContact CB-O 3.29Å; C23-S26 CarbonylContact O-C 3.58Å; C23-S26 WeakPolarHBondContact O-CA 3.45Å; C23-S26 WeakPolarHBondContact O-CB 3.34Å; C23-S26 PolarHBondContact O-N 2.88Å; C23-S26 VanDerWaalsContact O-O 3.1Å; C23-S26 PolarHBondContact O-OG 3.33Å; C23-V39 WeakPolarHBondContact SG-CG1 3.24Å
24L77.6Confident85.6Confident121 Ų12152 Ų5263%0.63431%0.307SS*.THydrogen-bonded Turntrans-57.7136.4-170-71.8172.4000112.5S26L24-S26 WeakPolarHBondContact CA-O 3.41Å; L24-S26 PolarHBondContact N-O 2.89Å
25P72.1Confident85.7Confident139 Ų13952.2 Ų52.290%0.90330%0.299SS*.THydrogen-bonded Turncis-82.5-512.433.8-37.6000115.9
26S77.1Confident85.7Confident59 Ų5952.5 Ų52.541%0.41330%0.299SS..SBendtrans-78.6175171.225.10000112.7C23 L24C23-S26 CarbonylContact C-O 3.41Å; C23-S26 WeakPolarHBondContact CB-O 3.29Å; C23-S26 CarbonylContact O-C 3.58Å; C23-S26 WeakPolarHBondContact O-CA 3.45Å; C23-S26 WeakPolarHBondContact O-CB 3.34Å; C23-S26 PolarHBondContact O-N 2.88Å; C23-S26 VanDerWaalsContact O-O 3.1Å; C23-S26 PolarHBondContact O-OG 3.33Å; L24-S26 WeakPolarHBondContact CA-O 3.41Å; L24-S26 PolarHBondContact N-O 2.89Å
27S85.5Confident85.4Confident26 Ų2657.2 Ų57.218%0.18233%0.332CS..  trans-122157.8179.5172.40000110.4E20 S29 S30 L31E20-S27 WeakPolarHBondContact OE1-CA 3.32Å; E20-S27 WeakPolarHBondContact OE1-CB 3.5Å; E20-S27 PolarHBondContact OE1-OG 2.91Å; E20-S27 PolarHBondContact OE2-OG 3.36Å; S27-S29 VanDerWaalsContact CB-OG 3.31Å; S27-S29 WeakPolarHBondContact CB-OG 3.42Å; S27-S29 PolarHBondContact O-N 3.47Å; S27-S29 VanDerWaalsContact O-N 3.12Å; S27-S29 PolarHBondContact OG-N 3.49Å; S27-S29 PolarHBondContact OG-OG 2.95Å; S27-S30 CarbonylContact O-C 3.52Å; S27-S30 PolarHBondContact O-N 3.44Å; S27-S30 PolarHBondContact O-OG 3.42Å; S27-L31 PolarHBondContact O-N 3.37Å
28L85.6Confident85.3Confident0 Ų060 Ų600%034%0.337CS..G310 helixtrans-54.8-25.8169.6-75167.1000112.5A19 E20 S30 L31 V39 P105 E106 V107 V111A19-L28 HydrophobicContact CB-CD1 4.06Å; A19-L28 HydrophobicContact CB-CD2 4.26Å; E20-L28 HydrophobicContact CB-CD1 4.1Å; E20-L28 WeakPolarHBondContact OE2-CB 3.49Å; E20-L28 WeakPolarHBondContact OE2-CD1 3.31Å; E20-L28 WeakPolarHBondContact OE2-CG 3.27Å; E20-L28 PolarHBondContact OE2-N 3.05Å; L28-S30 PolarHBondContact O-N 3.04Å; L28-L31 HydrophobicContact CD2-CD2 4.15Å; L28-L31 PolarHBondContact O-N 3.05Å; L28-V39 HydrophobicContact CD2-CG1 3.51Å; L28-P105 HydrophobicContact CD1-CG 3.63Å; L28-E106 CarbonylContact C-O 3.54Å; L28-E106 WeakPolarHBondContact CB-O 3.29Å; L28-V107 HydrophobicContact CB-CG1 4.27Å; L28-V111 HydrophobicContact CD2-CG2 4.07Å
29S86.1Confident85.2Confident36 Ų3654.7 Ų54.725%0.25231%0.312SS..G310 helixtrans-66.4-9.4174.362.40000114.4S27 E106S27-S29 VanDerWaalsContact CB-OG 3.31Å; S27-S29 WeakPolarHBondContact CB-OG 3.42Å; S27-S29 PolarHBondContact O-N 3.47Å; S27-S29 VanDerWaalsContact O-N 3.12Å; S27-S29 PolarHBondContact OG-N 3.49Å; S27-S29 PolarHBondContact OG-OG 2.95Å; S29-E106 WeakPolarHBondContact CA-O 3.46Å; S29-E106 PolarHBondContact N-O 3.45Å
30S86.8Confident85.1Confident71 Ų7154.7 Ų54.750%0.49731%0.312SS..G310 helixtrans-135.824.3177.372.10000113.2S27 L28 P32S27-S30 CarbonylContact O-C 3.52Å; S27-S30 PolarHBondContact O-N 3.44Å; S27-S30 PolarHBondContact O-OG 3.42Å; L28-S30 PolarHBondContact O-N 3.04Å; S30-P32 WeakPolarHBondContact O-CD 3.48Å
31L87.6Confident85.2Confident7 Ų760.9 Ų60.94%0.03733%0.334CS..  trans-69.9124.6-176-175.673.8000112.2S27 L28 D35 W36 V39 N108 V111S27-L31 PolarHBondContact O-N 3.37Å; L28-L31 HydrophobicContact CD2-CD2 4.15Å; L28-L31 PolarHBondContact O-N 3.05Å; L31-D35 HydrophobicContact CD1-CB 3.65Å; L31-W36 HydrophobicContact CD2-CE3 3.96Å; L31-V39 HydrophobicContact CD1-CB 4.07Å; L31-V39 HydrophobicContact CD1-CG1 4.02Å; L31-V39 HydrophobicContact CD1-CG2 3.87Å; L31-V39 HydrophobicContact CD2-CB 4.36Å; L31-V39 HydrophobicContact CD2-CG1 4.02Å; L31-N108 PolarHBondContact N-ND2 3.12Å; L31-N108 PolarHBondContact O-ND2 2.8Å; L31-V111 HydrophobicContact CB-CG2 4.24Å; L31-V111 HydrophobicContact CD2-CG2 3.65Å
32P86.6Confident85.4Confident65 Ų6554.1 Ų54.142%0.42231%0.306SS..  trans-80.1152169.334-34.9000111.8S30 A34 D35S30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-A34 VanDerWaalsContact C-N 3.33Å; P32-A34 PolarHBondContact O-N 2.68Å; P32-D35 HydrophobicContact CG-CB 4.27Å; P32-D35 WeakPolarHBondContact CG-OD2 3.47Å; P32-D35 PolarHBondContact O-N 3.49Å; P32-D35 VanDerWaalsContact O-N 3.11Å
33K89.9Confident85.5Confident13 Ų1350.7 Ų50.76%0.05729%0.288CS..G310 helixtrans-54.4-43.2-175.5-177.2179.7171.1-163.40113.3D35 W36 T110 E114 H147 V148 S150 P152 D157K33-D35 PolarHBondContact O-N 2.9Å; K33-D35 VanDerWaalsContact O-N 3.17Å; K33-W36 VanDerWaalsContact O-CB 3.3Å; K33-W36 WeakPolarHBondContact O-CB 3.4Å; K33-W36 PolarHBondContact O-N 3.45Å; K33-T110 HydrophobicContact CB-CG2 3.95Å; K33-E114 HydrophobicContact CG-CG 4.45Å; K33-H147 WeakPolarHBondContact CD-O 3.49Å; K33-H147 PolarHBondContact NZ-O 3.43Å; K33-H147 VanDerWaalsContact NZ-O 3.15Å; K33-V148 PolarHBondContact NZ-O 3.47Å; K33-S150 WeakPolarHBondContact CD-O 3.4Å; K33-S150 WeakPolarHBondContact CD-OG 3.36Å; K33-S150 PolarHBondContact NZ-O 3.41Å; K33-P152 WeakPolarHBondContact CE-O 3.48Å; K33-P152 PolarHBondContact NZ-O 3.1Å; K33-D157 VanDerWaalsContact CE-OD1 3.27Å; K33-D157 WeakPolarHBondContact CE-OD1 3.49Å; K33-D157 IonicContact NZ-OD1 2.78Å; K33-D157 PolarHBondContact NZ-OD1 2.9Å; K33-D157 IonicContact NZ-OD2 3.83Å; K33-D157 PolarHBondContact NZ-OD2 2.97Å
34A86.1Confident85.7Confident48 Ų4852.4 Ų52.440%0.39730%0.296SS..G310 helixtrans-51.4-37.417700000114.7P32 W36 S37 D151 P152P32-A34 VanDerWaalsContact C-N 3.33Å; P32-A34 PolarHBondContact O-N 2.68Å; A34-W36 VanDerWaalsContact C-N 3.34Å; A34-W36 PolarHBondContact O-N 3.27Å; A34-S37 PolarHBondContact O-OG 2.97Å; A34-D151 PolarHBondContact N-O 3.41Å; A34-P152 VanDerWaalsContact CA-CD 3.48Å
35D87.9Confident86.1Confident43 Ų4351 Ų5123%0.2329%0.289CS..G310 helixtrans-78.8-13.3-178.1-81.1-49.7000113.7L31 P32 K33 S37 R38 V39L31-D35 HydrophobicContact CD1-CB 3.65Å; P32-D35 HydrophobicContact CG-CB 4.27Å; P32-D35 WeakPolarHBondContact CG-OD2 3.47Å; P32-D35 PolarHBondContact O-N 3.49Å; P32-D35 VanDerWaalsContact O-N 3.11Å; K33-D35 PolarHBondContact O-N 2.9Å; K33-D35 VanDerWaalsContact O-N 3.17Å; D35-S37 VanDerWaalsContact C-N 3.25Å; D35-S37 PolarHBondContact O-N 3.45Å; D35-R38 PolarHBondContact O-N 3.12Å; D35-R38 IonicContact OD1-CZ 3.62Å; D35-R38 IonicContact OD1-NH1 3.78Å; D35-R38 PolarHBondContact OD1-NH1 3.22Å; D35-R38 IonicContact OD1-NH2 2.7Å; D35-R38 PolarHBondContact OD1-NH2 2.9Å; D35-R38 IonicContact OD2-NH2 2.67Å; D35-V39 HydrophobicContact CB-CG2 4.36Å; D35-V39 WeakPolarHBondContact O-CB 3.3Å; D35-V39 WeakPolarHBondContact O-CG2 3.42Å; D35-V39 PolarHBondContact O-N 2.64Å
36W89.4Confident86.9Confident13 Ų1344.6 Ų44.65%0.04925%0.248CC..Hα-helixtrans-55.9-39.3-178.4176.6-107.8000112.7L31 K33 A34 R38 V39 G40 I43 L44 V111 E114 L115 S118L31-W36 HydrophobicContact CD2-CE3 3.96Å; K33-W36 VanDerWaalsContact O-CB 3.3Å; K33-W36 WeakPolarHBondContact O-CB 3.4Å; K33-W36 PolarHBondContact O-N 3.45Å; A34-W36 VanDerWaalsContact C-N 3.34Å; A34-W36 PolarHBondContact O-N 3.27Å; W36-R38 PolarHBondContact O-N 2.93Å; W36-R38 VanDerWaalsContact O-N 3.16Å; W36-V39 PolarHBondContact O-N 3.24Å; W36-V39 VanDerWaalsContact O-N 3.17Å; W36-G40 PolarHBondContact O-N 3.3Å; W36-I43 HydrophobicContact CH2-CD1 4.43Å; W36-I43 HydrophobicContact CZ3-CD1 4.49Å; W36-L44 HydrophobicContact CZ2-CD2 4.39Å; W36-L44 HydrophobicContact CZ2-CG 4.48Å; W36-V111 HydrophobicContact CZ3-CB 4.46Å; W36-V111 HydrophobicContact CZ3-CG1 4.13Å; W36-V111 HydrophobicContact CZ3-CG2 4.34Å; W36-E114 HydrophobicContact CB-CB 4.41Å; W36-E114 HydrophobicContact CB-CG 4.18Å; W36-E114 HydrophobicContact CD2-CB 3.62Å; W36-E114 HydrophobicContact CD2-CG 4.36Å; W36-E114 HydrophobicContact CE3-CB 4.3Å; W36-E114 HydrophobicContact CG-CB 3.63Å; W36-E114 HydrophobicContact CG-CG 3.89Å; W36-E114 HydrophobicContact CZ2-CB 4.24Å; W36-L115 HydrophobicContact CH2-CB 4.12Å; W36-L115 HydrophobicContact CH2-CD1 4.47Å; W36-L115 HydrophobicContact CZ2-CB 4.31Å; W36-S118 PolarHBondContact NE1-OG 2.93Å
37S84.4Confident87.3Confident100 Ų10042.2 Ų42.270%0.69923%0.231SC*.Hα-helixtrans-55.1-32.8177.362.50000113.7A34 D35A34-S37 PolarHBondContact O-OG 2.97Å; D35-S37 VanDerWaalsContact C-N 3.25Å; D35-S37 PolarHBondContact O-N 3.45Å
38R85.8Confident87.2Confident131 Ų13146.9 Ų46.949%0.49425%0.25SC..Hα-helixtrans-87.9-42.7174.9-175178.471.1-106.2-3.7112D35 W36D35-R38 PolarHBondContact O-N 3.12Å; D35-R38 IonicContact OD1-CZ 3.62Å; D35-R38 IonicContact OD1-NH1 3.78Å; D35-R38 PolarHBondContact OD1-NH1 3.22Å; D35-R38 IonicContact OD1-NH2 2.7Å; D35-R38 PolarHBondContact OD1-NH2 2.9Å; D35-R38 IonicContact OD2-NH2 2.67Å; W36-R38 PolarHBondContact O-N 2.93Å; W36-R38 VanDerWaalsContact O-N 3.16Å
39V87.5Confident87.1Confident0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-87.4-38.1-165.8170.20000113.4A19 L22 C23 L28 L31 D35 W36 R41 P42A19-V39 HydrophobicContact CB-CG1 4.04Å; A19-V39 WeakPolarHBondContact CB-O 3.47Å; L22-V39 HydrophobicContact CB-CG2 4.34Å; C23-V39 WeakPolarHBondContact SG-CG1 3.24Å; L28-V39 HydrophobicContact CD2-CG1 3.51Å; L31-V39 HydrophobicContact CD1-CB 4.07Å; L31-V39 HydrophobicContact CD1-CG1 4.02Å; L31-V39 HydrophobicContact CD1-CG2 3.87Å; L31-V39 HydrophobicContact CD2-CB 4.36Å; L31-V39 HydrophobicContact CD2-CG1 4.02Å; D35-V39 HydrophobicContact CB-CG2 4.36Å; D35-V39 WeakPolarHBondContact O-CB 3.3Å; D35-V39 WeakPolarHBondContact O-CG2 3.42Å; D35-V39 PolarHBondContact O-N 2.64Å; W36-V39 PolarHBondContact O-N 3.24Å; W36-V39 VanDerWaalsContact O-N 3.17Å; V39-R41 PolarHBondContact O-N 3.26Å; V39-P42 VanDerWaalsContact O-CD 3.22Å; V39-P42 WeakPolarHBondContact O-CD 3.39Å
40G86.9Confident86.9Confident0 Ų051.6 Ų51.60%027%0.268CS..THydrogen-bonded Turntrans-76.3-18.4-176.900000114.4W36 P42 I43 L44W36-G40 PolarHBondContact O-N 3.3Å; G40-P42 VanDerWaalsContact C-CD 3.48Å; G40-I43 WeakPolarHBondContact O-CA 3.4Å; G40-I43 WeakPolarHBondContact O-CB 3.29Å; G40-I43 PolarHBondContact O-N 3.29Å; G40-L44 PolarHBondContact O-N 3.48Å; G40-L44 VanDerWaalsContact O-N 3.08Å
41R88.8Confident86.4Confident172 Ų17248.8 Ų48.865%0.64925%0.248SC*.Hα-helixtrans-53.1-41.7-174.8-172.1174.5-180177.11.2115V39 I43 L44 L45V39-R41 PolarHBondContact O-N 3.26Å; R41-I43 VanDerWaalsContact C-N 3.33Å; R41-I43 PolarHBondContact O-N 3.39Å; R41-L44 PolarHBondContact O-N 2.82Å; R41-L45 HydrophobicContact CG-CD1 4.04Å; R41-L45 HydrophobicContact CG-CG 4.46Å; R41-L45 WeakPolarHBondContact O-CG 3.23Å; R41-L45 PolarHBondContact O-N 3.27Å
42P89.9Confident85.5Confident15 Ų1549.8 Ų49.810%0.09726%0.26CS..Hα-helixtrans-62.4-38174.7-21.334.3000112.9A15 Q18 L22 V39 G40 A46A15-P42 HydrophobicContact CB-CB 4.38Å; A15-P42 WeakPolarHBondContact CB-O 3.36Å; Q18-P42 HydrophobicContact CB-CB 4.32Å; Q18-P42 HydrophobicContact CG-CB 4.26Å; Q18-P42 HydrophobicContact CG-CG 4.07Å; L22-P42 HydrophobicContact CD1-CG 3.9Å; V39-P42 VanDerWaalsContact O-CD 3.22Å; V39-P42 WeakPolarHBondContact O-CD 3.39Å; G40-P42 VanDerWaalsContact C-CD 3.48Å; P42-A46 WeakPolarHBondContact O-CB 3.27Å; P42-A46 PolarHBondContact O-N 3.38Å
43I89.3Confident84Confident1 Ų152 Ų521%0.00527%0.274CS..Hα-helixtrans-67.4-42.7-179.8-59.5166.5000110.1A15 F16 A19 W36 G40 R41 A46 L47 L115A15-I43 HydrophobicContact CB-CG1 4.48Å; F16-I43 HydrophobicContact CD1-CD1 3.81Å; F16-I43 HydrophobicContact CD1-CG1 4.43Å; F16-I43 HydrophobicContact CD2-CD1 4.24Å; F16-I43 HydrophobicContact CD2-CG1 4.02Å; F16-I43 HydrophobicContact CD2-CG2 4.27Å; F16-I43 HydrophobicContact CE1-CD1 3.73Å; F16-I43 HydrophobicContact CE2-CB 4.5Å; F16-I43 HydrophobicContact CE2-CD1 4.16Å; F16-I43 HydrophobicContact CE2-CG1 4.11Å; F16-I43 HydrophobicContact CE2-CG2 3.61Å; F16-I43 HydrophobicContact CG-CD1 4.07Å; F16-I43 HydrophobicContact CG-CG1 4.19Å; F16-I43 HydrophobicContact CZ-CD1 3.92Å; F16-I43 HydrophobicContact CZ-CG1 4.36Å; F16-I43 HydrophobicContact CZ-CG2 3.91Å; A19-I43 HydrophobicContact CB-CD1 3.87Å; A19-I43 HydrophobicContact CB-CG1 4.21Å; W36-I43 HydrophobicContact CH2-CD1 4.43Å; W36-I43 HydrophobicContact CZ3-CD1 4.49Å; G40-I43 WeakPolarHBondContact O-CA 3.4Å; G40-I43 WeakPolarHBondContact O-CB 3.29Å; G40-I43 PolarHBondContact O-N 3.29Å; R41-I43 VanDerWaalsContact C-N 3.33Å; R41-I43 PolarHBondContact O-N 3.39Å; I43-A46 PolarHBondContact O-N 3.13Å; I43-L47 HydrophobicContact CG2-CD1 4.19Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 3.2Å; I43-L115 HydrophobicContact CG2-CD1 3.96Å
44L88.5Confident82Confident40 Ų4058.2 Ų58.221%0.20931%0.308CS..Hα-helixtrans-67-41177.9-60.2176.7000112.2W36 G40 R41 L47 Q48 L115 T119W36-L44 HydrophobicContact CZ2-CD2 4.39Å; W36-L44 HydrophobicContact CZ2-CG 4.48Å; G40-L44 PolarHBondContact O-N 3.48Å; G40-L44 VanDerWaalsContact O-N 3.08Å; R41-L44 PolarHBondContact O-N 2.82Å; L44-L47 PolarHBondContact O-N 3Å; L44-Q48 WeakPolarHBondContact O-CG 3.45Å; L44-Q48 PolarHBondContact O-N 2.85Å; L44-L115 HydrophobicContact CD2-CD1 4.19Å; L44-T119 HydrophobicContact CD2-CG2 3.89Å
45L87.4Confident80Confident91 Ų9162.3 Ų62.348%0.47632%0.319SS..Hα-helixtrans-64.7-42175.1-71.5169.8000112R41 L47 Q48 E49R41-L45 HydrophobicContact CG-CD1 4.04Å; R41-L45 HydrophobicContact CG-CG 4.46Å; R41-L45 WeakPolarHBondContact O-CG 3.23Å; R41-L45 PolarHBondContact O-N 3.27Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.91Å; L45-Q48 PolarHBondContact O-N 3.23Å; L45-E49 PolarHBondContact O-N 3.03Å
46A87.4Confident77.7Confident6 Ų665.8 Ų65.85%0.0534%0.344CS..Hα-helixtrans-63-38.4174.700000112.6I11 L12 A15 P42 I43 E49 I50I11-A46 HydrophobicContact CG2-CB 3.89Å; L12-A46 HydrophobicContact CD2-CB 4.41Å; A15-A46 HydrophobicContact CB-CB 3.53Å; P42-A46 WeakPolarHBondContact O-CB 3.27Å; P42-A46 PolarHBondContact O-N 3.38Å; I43-A46 PolarHBondContact O-N 3.13Å; A46-E49 PolarHBondContact O-N 3.07Å; A46-I50 WeakPolarHBondContact O-CD1 3.39Å; A46-I50 VanDerWaalsContact O-CG1 3.28Å; A46-I50 WeakPolarHBondContact O-CG1 3.32Å; A46-I50 PolarHBondContact O-N 3.46Å; A46-I50 VanDerWaalsContact O-N 3.1Å
47L84.9Confident75.2Confident9 Ų971.9 Ų71.95%0.04738%0.378CS..Hα-helixtrans-67.7-36.5174-75.5167.6000112.1L12 I43 L44 L45 I50 C51 I71 L115 T119L12-L47 HydrophobicContact CD2-CD2 3.77Å; L12-L47 HydrophobicContact CD2-CG 3.92Å; I43-L47 HydrophobicContact CG2-CD1 4.19Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 3.2Å; L44-L47 PolarHBondContact O-N 3Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.91Å; L47-I50 PolarHBondContact O-N 3.36Å; L47-C51 WeakPolarHBondContact O-CB 3.42Å; L47-C51 PolarHBondContact O-N 3.42Å; L47-C51 PolarHBondContact O-SG 3.46Å; L47-I71 HydrophobicContact CD1-CG2 4.35Å; L47-I71 HydrophobicContact CD2-CB 4.38Å; L47-I71 HydrophobicContact CD2-CG2 4.02Å; L47-L115 HydrophobicContact CD1-CD1 3.72Å; L47-T119 HydrophobicContact CD1-CG2 3.98Å
48Q83.6Confident73Confident124 Ų12470.4 Ų70.458%0.57937%0.368SS*.Hα-helixtrans-64.8-41.5172-72.9172.6-13.200112L44 L45 I50 C51 G52L44-Q48 WeakPolarHBondContact O-CG 3.45Å; L44-Q48 PolarHBondContact O-N 2.85Å; L45-Q48 PolarHBondContact O-N 3.23Å; Q48-I50 VanDerWaalsContact C-N 3.31Å; Q48-I50 PolarHBondContact O-N 3.45Å; Q48-C51 PolarHBondContact O-N 2.73Å; Q48-G52 PolarHBondContact O-N 3.07Å
49E83.8Confident70.9Confident124 Ų12472.7 Ų72.758%0.57938%0.384SS*.Hα-helixtrans-60.2-40.3175.2-170.4-174.7158.600112L45 A46L45-E49 PolarHBondContact O-N 3.03Å; A46-E49 PolarHBondContact O-N 3.07Å
50I83Confident69.2Low11 Ų1176 Ų766%0.05641%0.405CS..Hα-helixtrans-80.9-29.7-177.3-67.3164.2000112.8D8 I11 L12 A46 L47 Q48 W67D8-I50 HydrophobicContact CB-CD1 4.01Å; D8-I50 HydrophobicContact CB-CG1 4Å; D8-I50 HydrophobicContact CB-CG2 4.05Å; D8-I50 VanDerWaalsContact O-CD1 3.23Å; D8-I50 WeakPolarHBondContact O-CD1 3.23Å; I11-I50 HydrophobicContact CB-CD1 4.19Å; I11-I50 HydrophobicContact CG2-CD1 4.09Å; I11-I50 HydrophobicContact CG2-CG1 4.43Å; L12-I50 HydrophobicContact CD1-CD1 3.88Å; L12-I50 HydrophobicContact CD2-CD1 4.2Å; L12-I50 HydrophobicContact CG-CD1 3.55Å; A46-I50 WeakPolarHBondContact O-CD1 3.39Å; A46-I50 VanDerWaalsContact O-CG1 3.28Å; A46-I50 WeakPolarHBondContact O-CG1 3.32Å; A46-I50 PolarHBondContact O-N 3.46Å; A46-I50 VanDerWaalsContact O-N 3.1Å; L47-I50 PolarHBondContact O-N 3.36Å; Q48-I50 VanDerWaalsContact C-N 3.31Å; Q48-I50 PolarHBondContact O-N 3.45Å; I50-W67 HydrophobicContact CG2-CB 4.19Å; I50-W67 HydrophobicContact CG2-CD2 3.77Å; I50-W67 HydrophobicContact CG2-CG 3.53Å
51C76.6Confident68.2Low11 Ų1179.5 Ų79.57%0.07442%0.424CS..Hα-helixtrans-84.7-19.2177-66.30000113.3L47 Q48 N61 A64L47-C51 WeakPolarHBondContact O-CB 3.42Å; L47-C51 PolarHBondContact O-N 3.42Å; L47-C51 PolarHBondContact O-SG 3.46Å; Q48-C51 PolarHBondContact O-N 2.73Å; C51-N61 PolarHBondContact O-ND2 3.4Å; C51-A64 HydrophobicContact CB-CB 3.52Å
52G66.8Low67.2Low28 Ų2877.4 Ų77.429%0.28943%0.425SS..  trans77.2173.9-168.600000112.8Q48Q48-G52 PolarHBondContact O-N 3.07Å
53P56.4Low66.3Low111 Ų11181.8 Ų81.872%0.72144%0.444SS*.  trans-66.9139172.329.6-33.9000110.5E55P53-E55 PolarHBondContact O-N 3.32Å; P53-E55 VanDerWaalsContact O-N 3.11Å
54N48.1Very low65.7Low145 Ų14582.2 Ų82.278%0.77545%0.448SS*.  trans-78.687.7169.2-64-27.1000108.9
55E43.5Very low65.2Low134 Ų13484 Ų8463%0.62646%0.457SS*.  trans-79.3127.3165.9-69.9-174.3163.700109.4P53 D57 S58P53-E55 PolarHBondContact O-N 3.32Å; P53-E55 VanDerWaalsContact O-N 3.11Å; E55-D57 VanDerWaalsContact C-N 3.29Å; E55-D57 PolarHBondContact O-N 3.08Å; E55-S58 PolarHBondContact O-N 3.24Å; E55-S58 PolarHBondContact O-OG 3.03Å
56P38.8Very low65Low116 Ų11682.7 Ų82.775%0.75345%0.453SS*.THydrogen-bonded Turntrans-66.8-26.1-16725.9-34.8000114.2
57D37.9Very low64.9Low141 Ų14183.1 Ų83.175%0.75445%0.453SS*.THydrogen-bonded Turntrans-94.713.5-173.2-55-59000114E55E55-D57 VanDerWaalsContact C-N 3.29Å; E55-D57 PolarHBondContact O-N 3.08Å
58S37.2Very low65Low69 Ų6985.2 Ų85.248%0.48346%0.462SS..SBendtrans-106.5148.4-177.167.60000112.8E55E55-S58 PolarHBondContact O-N 3.24Å; E55-S58 PolarHBondContact O-OG 3.03Å
59Q43.4Very low65.2Low178 Ų17881.4 Ų81.483%0.83244%0.444SS*.  trans-53.6144.9171.9-77-176-28.400110.4N61Q59-N61 PolarHBondContact O-N 2.91Å
60P51.4Low65.4Low70 Ų7079.6 Ų79.646%0.45543%0.431SS..  trans-55.8120.9-176.928.2-39.9000109.8L62 E290P60-L62 PolarHBondContact O-N 3.15Å; P60-E290 WeakPolarHBondContact CG-OE1 3.35Å; P60-E290 VanDerWaalsContact CG-OE2 3.31Å; P60-E290 WeakPolarHBondContact CG-OE2 3.26Å
61N65.3Low65.7Low73 Ų7379.2 Ų79.239%0.3943%0.429SS..  trans-63.4101.4-178.8-177-0.3000109.4C51 Q59 Q63 A64 L65C51-N61 PolarHBondContact O-ND2 3.4Å; Q59-N61 PolarHBondContact O-N 2.91Å; N61-Q63 PolarHBondContact O-N 2.95Å; N61-Q63 VanDerWaalsContact OD1-CB 3.31Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.35Å; N61-Q63 PolarHBondContact OD1-N 3.45Å; N61-Q63 VanDerWaalsContact OD1-N 3.14Å; N61-A64 HydrophobicContact CB-CB 3.82Å; N61-A64 WeakPolarHBondContact O-CA 3.45Å; N61-A64 VanDerWaalsContact O-CB 3.31Å; N61-A64 WeakPolarHBondContact O-CB 3.03Å; N61-A64 PolarHBondContact O-N 2.86Å; N61-L65 PolarHBondContact O-N 3.35Å
62L67.2Low66.4Low128 Ų12878.7 Ų78.767%0.6743%0.426SS*.Hα-helixtrans-60.7-29.8-175.6-171.964.8000111.3P60 T66P60-L62 PolarHBondContact O-N 3.15Å; L62-T66 VanDerWaalsContact O-CB 3.24Å; L62-T66 WeakPolarHBondContact O-CB 3.28Å; L62-T66 PolarHBondContact O-N 3.15Å; L62-T66 PolarHBondContact O-OG1 2.82Å
63Q72.7Confident67.5Low108 Ų10877.3 Ų77.351%0.50541%0.412SS..Hα-helixtrans-66.7-43.1172.2-177.8174.4-12.400111.3N61 T66 W67N61-Q63 PolarHBondContact O-N 2.95Å; N61-Q63 VanDerWaalsContact OD1-CB 3.31Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.35Å; N61-Q63 PolarHBondContact OD1-N 3.45Å; N61-Q63 VanDerWaalsContact OD1-N 3.14Å; Q63-T66 PolarHBondContact O-N 3.11Å; Q63-W67 WeakPolarHBondContact O-CB 3.33Å; Q63-W67 PolarHBondContact O-N 2.77Å
64A75.4Confident69.1Low9 Ų972 Ų727%0.07438%0.378CS..Hα-helixtrans-63.5-46.6175.100000112.2C51 N61 T66 W67 K68C51-A64 HydrophobicContact CB-CB 3.52Å; N61-A64 HydrophobicContact CB-CB 3.82Å; N61-A64 WeakPolarHBondContact O-CA 3.45Å; N61-A64 VanDerWaalsContact O-CB 3.31Å; N61-A64 WeakPolarHBondContact O-CB 3.03Å; N61-A64 PolarHBondContact O-N 2.86Å; A64-T66 VanDerWaalsContact C-N 3.31Å; A64-T66 PolarHBondContact O-N 3.38Å; A64-W67 PolarHBondContact O-N 3.43Å; A64-K68 WeakPolarHBondContact O-CG 3.4Å; A64-K68 PolarHBondContact O-N 2.91Å
65L78.5Confident71.1Confident78 Ų7865.2 Ų65.241%0.40834%0.341SS..Hα-helixtrans-61.4-41.4176.5-176.264.8000111.5N61 K68 K69 I124N61-L65 PolarHBondContact O-N 3.35Å; L65-K68 PolarHBondContact O-N 3.27Å; L65-K69 WeakPolarHBondContact O-CG 3.47Å; L65-K69 PolarHBondContact O-N 3.48Å; L65-I124 HydrophobicContact CD1-CD1 4.09Å
66T83.1Confident73.5Confident63 Ų6358.9 Ų58.939%0.38731%0.311SS..Hα-helixtrans-64.2-41.5176.1-59.80000111.6L62 Q63 A64 K69 R70 I183L62-T66 VanDerWaalsContact O-CB 3.24Å; L62-T66 WeakPolarHBondContact O-CB 3.28Å; L62-T66 PolarHBondContact O-N 3.15Å; L62-T66 PolarHBondContact O-OG1 2.82Å; Q63-T66 PolarHBondContact O-N 3.11Å; A64-T66 VanDerWaalsContact C-N 3.31Å; A64-T66 PolarHBondContact O-N 3.38Å; T66-K69 PolarHBondContact O-N 2.84Å; T66-R70 VanDerWaalsContact O-CB 3.27Å; T66-R70 WeakPolarHBondContact O-CB 3.26Å; T66-R70 PolarHBondContact O-N 3.3Å; T66-I183 HydrophobicContact CG2-CD1 4.1Å
67W85.2Confident75.9Confident15 Ų1553.4 Ų53.46%0.05728%0.276CS..Hα-helixtrans-67.7-40.2175.1-83.8115.8000113D8 L12 I50 Q63 A64 R70 I71D8-W67 HydrophobicContact CB-CH2 3.89Å; D8-W67 HydrophobicContact CB-CZ2 3.45Å; D8-W67 VanDerWaalsContact CB-CZ2 3.45Å; D8-W67 WeakPolarHBondContact OD2-CZ2 3.36Å; L12-W67 HydrophobicContact CD1-CE3 4.08Å; L12-W67 HydrophobicContact CD1-CZ3 3.98Å; I50-W67 HydrophobicContact CG2-CB 4.19Å; I50-W67 HydrophobicContact CG2-CD2 3.77Å; I50-W67 HydrophobicContact CG2-CG 3.53Å; Q63-W67 WeakPolarHBondContact O-CB 3.33Å; Q63-W67 PolarHBondContact O-N 2.77Å; A64-W67 PolarHBondContact O-N 3.43Å; W67-R70 HydrophobicContact CE3-CB 4.39Å; W67-R70 PolarHBondContact O-N 3.39Å; W67-I71 WeakPolarHBondContact O-CG2 3.39Å; W67-I71 PolarHBondContact O-N 3.43Å
68K86.7Confident78.3Confident54 Ų5447.5 Ų47.524%0.23524%0.244CC..Hα-helixtrans-58.8-47.4171.8-72.6-171-176.4-171.40111.5A64 L65 R70 I71 V72 T119 I124A64-K68 WeakPolarHBondContact O-CG 3.4Å; A64-K68 PolarHBondContact O-N 2.91Å; L65-K68 PolarHBondContact O-N 3.27Å; K68-R70 VanDerWaalsContact C-N 3.35Å; K68-R70 PolarHBondContact O-N 2.91Å; K68-I71 WeakPolarHBondContact O-CG2 3.12Å; K68-V72 WeakPolarHBondContact O-CG2 3.41Å; K68-V72 PolarHBondContact O-N 3.13Å; K68-T119 WeakPolarHBondContact CE-O 3.17Å; K68-T119 PolarHBondContact NZ-O 3.28Å; K68-I124 HydrophobicContact CB-CD1 3.59Å
69K87.3Confident80.8Confident44 Ų4444.6 Ų44.619%0.19122%0.222CC..Hα-helixtrans-58.1-46.7173.5-74.9-172.8-179.5-169.60111.8L65 T66 C73 I124 I183 E184L65-K69 WeakPolarHBondContact O-CG 3.47Å; L65-K69 PolarHBondContact O-N 3.48Å; T66-K69 PolarHBondContact O-N 2.84Å; K69-C73 VanDerWaalsContact O-CB 3.23Å; K69-C73 WeakPolarHBondContact O-CB 3.42Å; K69-C73 PolarHBondContact O-N 3.42Å; K69-I124 HydrophobicContact CB-CG2 4.5Å; K69-I124 HydrophobicContact CG-CD1 4.02Å; K69-I124 HydrophobicContact CG-CG1 4.08Å; K69-I124 HydrophobicContact CG-CG2 4.1Å; K69-I183 HydrophobicContact CB-CD1 4.27Å; K69-E184 WeakPolarHBondContact CE-OE1 3.36Å; K69-E184 IonicContact NZ-OE1 2.76Å; K69-E184 PolarHBondContact NZ-OE1 3.02Å; K69-E184 IonicContact NZ-OE2 3.16Å
70R88.5Confident82.9Confident86 Ų8636.5 Ų36.533%0.32519%0.185SC..Hα-helixtrans-64.1-44.8-177.1-167.5174.3-172.8170.48.2112.2T66 W67 K68 V74 F97 I183T66-R70 VanDerWaalsContact O-CB 3.27Å; T66-R70 WeakPolarHBondContact O-CB 3.26Å; T66-R70 PolarHBondContact O-N 3.3Å; W67-R70 HydrophobicContact CE3-CB 4.39Å; W67-R70 PolarHBondContact O-N 3.39Å; K68-R70 VanDerWaalsContact C-N 3.35Å; K68-R70 PolarHBondContact O-N 2.91Å; R70-V74 HydrophobicContact CG-CG2 4.22Å; R70-V74 VanDerWaalsContact O-CB 3.27Å; R70-V74 WeakPolarHBondContact O-CB 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.32Å; R70-V74 PolarHBondContact O-N 3.33Å; R70-F97 HydrophobicContact CG-CE1 4.49Å; R70-I183 HydrophobicContact CB-CD1 4.1Å
71I89.4Confident84.5Confident2 Ų233.9 Ų33.91%0.0117%0.168CC..Hα-helixtrans-68.9-42.3-177.9-167.361.3000112L12 F16 L47 W67 K68 V74 V75 F104 L115L12-I71 HydrophobicContact CD1-CD1 4.45Å; L12-I71 HydrophobicContact CD2-CD1 4.49Å; F16-I71 HydrophobicContact CE2-CD1 4.01Å; F16-I71 HydrophobicContact CZ-CD1 4.38Å; L47-I71 HydrophobicContact CD1-CG2 4.35Å; L47-I71 HydrophobicContact CD2-CB 4.38Å; L47-I71 HydrophobicContact CD2-CG2 4.02Å; W67-I71 WeakPolarHBondContact O-CG2 3.39Å; W67-I71 PolarHBondContact O-N 3.43Å; K68-I71 WeakPolarHBondContact O-CG2 3.12Å; I71-V74 PolarHBondContact O-N 3.18Å; I71-V75 HydrophobicContact CD1-CG2 3.96Å; I71-V75 HydrophobicContact CG1-CG2 4.16Å; I71-V75 WeakPolarHBondContact O-CB 3.2Å; I71-V75 VanDerWaalsContact O-CG2 3.28Å; I71-V75 WeakPolarHBondContact O-CG2 3.48Å; I71-V75 PolarHBondContact O-N 2.92Å; I71-F104 HydrophobicContact CD1-CE2 3.64Å; I71-F104 HydrophobicContact CD1-CZ 3.87Å; I71-L115 HydrophobicContact CG1-CD2 4.11Å
72V90.7Very high85.5Confident0 Ų036.4 Ų36.40%017%0.172CC..Hα-helixtrans-61.5-47.7176.4175.40000110.5K68 V74 W76 L112 V116 A121 I124 F128K68-V72 WeakPolarHBondContact O-CG2 3.41Å; K68-V72 PolarHBondContact O-N 3.13Å; V72-V74 PolarHBondContact O-N 2.98Å; V72-W76 HydrophobicContact CG1-CE3 4.45Å; V72-W76 VanDerWaalsContact O-CB 3.26Å; V72-W76 WeakPolarHBondContact O-CB 3.4Å; V72-W76 PolarHBondContact O-N 3.06Å; V72-L112 HydrophobicContact CG1-CD1 4.35Å; V72-V116 HydrophobicContact CG1-CG2 4.1Å; V72-V116 HydrophobicContact CG2-CG2 3.98Å; V72-A121 HydrophobicContact CG2-CB 4.36Å; V72-I124 HydrophobicContact CB-CG2 4.14Å; V72-I124 HydrophobicContact CG1-CG2 4.28Å; V72-I124 HydrophobicContact CG2-CG2 4.31Å; V72-F128 HydrophobicContact CB-CD2 4.49Å; V72-F128 HydrophobicContact CB-CE2 4.25Å; V72-F128 HydrophobicContact CG1-CD2 3.86Å; V72-F128 HydrophobicContact CG1-CE2 4.12Å
73C90.8Very high86.3Confident0 Ų033.5 Ų33.50%016%0.155CC..Hα-helixtrans-55.5-51174.61770000112.5K69 W76 L77 F97 F128 I183 F187K69-C73 VanDerWaalsContact O-CB 3.23Å; K69-C73 WeakPolarHBondContact O-CB 3.42Å; K69-C73 PolarHBondContact O-N 3.42Å; C73-W76 PolarHBondContact O-N 3.19Å; C73-L77 WeakPolarHBondContact O-CB 3.43Å; C73-L77 WeakPolarHBondContact O-CG 3.48Å; C73-L77 PolarHBondContact O-N 2.95Å; C73-F97 VanDerWaalsContact SG-CE2 3.56Å; C73-F128 HydrophobicContact CB-CE1 4.13Å; C73-F128 HydrophobicContact CB-CE2 4.07Å; C73-F128 HydrophobicContact CB-CZ 3.64Å; C73-I183 HydrophobicContact CB-CG2 3.81Å; C73-F187 HydrophobicContact CB-CD2 4.44Å
74V90.2Very high86.7Confident0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-64.6-45.4-176166.80000112.1R70 I71 V72 K78 F97 L100 Q101 F104R70-V74 HydrophobicContact CG-CG2 4.22Å; R70-V74 VanDerWaalsContact O-CB 3.27Å; R70-V74 WeakPolarHBondContact O-CB 3.3Å; R70-V74 WeakPolarHBondContact O-CG2 3.32Å; R70-V74 PolarHBondContact O-N 3.33Å; I71-V74 PolarHBondContact O-N 3.18Å; V72-V74 PolarHBondContact O-N 2.98Å; V74-K78 WeakPolarHBondContact O-CB 3.48Å; V74-K78 PolarHBondContact O-N 3.04Å; V74-F97 HydrophobicContact CG2-CB 4.11Å; V74-F97 HydrophobicContact CG2-CD1 3.61Å; V74-F97 HydrophobicContact CG2-CE1 4.22Å; V74-F97 HydrophobicContact CG2-CG 3.9Å; V74-L100 HydrophobicContact CG1-CB 4.43Å; V74-L100 HydrophobicContact CG1-CD2 4.04Å; V74-L100 HydrophobicContact CG1-CG 4.03Å; V74-L100 HydrophobicContact CG2-CD2 3.97Å; V74-Q101 HydrophobicContact CG1-CG 3.77Å; V74-Q101 PolarHBondContact O-NE2 2.76Å; V74-F104 HydrophobicContact CG1-CD2 4.1Å; V74-F104 HydrophobicContact CG1-CE2 3.65Å
75V90.8Very high87Confident2 Ų239.3 Ų39.31%0.01219%0.187CC..Hα-helixtrans-66.3-44.4179.3171.50000110.7F16 I71 K78 L79 V107 L112 L115F16-V75 HydrophobicContact CE1-CG2 4.49Å; F16-V75 HydrophobicContact CZ-CG2 3.99Å; I71-V75 HydrophobicContact CD1-CG2 3.96Å; I71-V75 HydrophobicContact CG1-CG2 4.16Å; I71-V75 WeakPolarHBondContact O-CB 3.2Å; I71-V75 VanDerWaalsContact O-CG2 3.28Å; I71-V75 WeakPolarHBondContact O-CG2 3.48Å; I71-V75 PolarHBondContact O-N 2.92Å; V75-K78 WeakPolarHBondContact O-CB 3.24Å; V75-K78 PolarHBondContact O-N 3.45Å; V75-L79 PolarHBondContact O-N 3.2Å; V75-V107 HydrophobicContact CG1-CG2 4.36Å; V75-L112 HydrophobicContact CB-CD1 4.43Å; V75-L112 HydrophobicContact CG1-CB 4.29Å; V75-L112 HydrophobicContact CG1-CD1 4.04Å; V75-L115 HydrophobicContact CG2-CD2 4.23Å
76W92.4Very high87.2Confident0 Ų037.4 Ų37.40%018%0.176CC..Hα-helixtrans-71-43.9-177.9-160.7-0.7000112.7V72 C73 K78 L79 L80 L112 F125 F128 L129 L132 E140 F187V72-W76 HydrophobicContact CG1-CE3 4.45Å; V72-W76 VanDerWaalsContact O-CB 3.26Å; V72-W76 WeakPolarHBondContact O-CB 3.4Å; V72-W76 PolarHBondContact O-N 3.06Å; C73-W76 PolarHBondContact O-N 3.19Å; W76-K78 PolarHBondContact O-N 3.03Å; W76-L79 WeakPolarHBondContact O-CB 3.49Å; W76-L79 PolarHBondContact O-N 3.37Å; W76-L79 VanDerWaalsContact O-N 3.1Å; W76-L80 HydrophobicContact CG-CD1 4.21Å; W76-L80 WeakPolarHBondContact O-CG 3.26Å; W76-L80 PolarHBondContact O-N 3.1Å; W76-L112 HydrophobicContact CB-CD1 4.12Å; W76-L112 HydrophobicContact CB-CD2 3.89Å; W76-L112 HydrophobicContact CD2-CD2 3.75Å; W76-L112 HydrophobicContact CE3-CD2 4.42Å; W76-L112 HydrophobicContact CG-CD2 3.5Å; W76-L112 VanDerWaalsContact CG-CD2 3.5Å; W76-F125 HydrophobicContact CD2-CE2 4.43Å; W76-F125 HydrophobicContact CE3-CD2 4.01Å; W76-F125 HydrophobicContact CE3-CE2 4.06Å; W76-F125 AromaticContact CH2-CD2 3.58Å; W76-F125 HydrophobicContact CH2-CD2 3.58Å; W76-F125 HydrophobicContact CH2-CE1 4.44Å; W76-F125 AromaticContact CH2-CE2 3.18Å; W76-F125 HydrophobicContact CH2-CE2 3.18Å; W76-F125 HydrophobicContact CH2-CG 4.36Å; W76-F125 AromaticContact CH2-CZ 3.68Å; W76-F125 HydrophobicContact CH2-CZ 3.68Å; W76-F125 HydrophobicContact CZ2-CD2 4.42Å; W76-F125 AromaticContact CZ2-CE2 3.64Å; W76-F125 HydrophobicContact CZ2-CE2 3.64Å; W76-F125 HydrophobicContact CZ2-CZ 4.05Å; W76-F125 AromaticContact CZ3-CD2 3.33Å; W76-F125 HydrophobicContact CZ3-CD2 3.33Å; W76-F125 AromaticContact CZ3-CE2 3.42Å; W76-F125 HydrophobicContact CZ3-CE2 3.42Å; W76-F125 VanDerWaalsContact CZ3-CE2 3.42Å; W76-F125 HydrophobicContact CZ3-CG 4.17Å; W76-F125 HydrophobicContact CZ3-CZ 4.31Å; W76-F128 HydrophobicContact CE3-CB 3.95Å; W76-F128 HydrophobicContact CZ3-CB 3.57Å; W76-L129 HydrophobicContact CH2-CD2 3.54Å; W76-L129 HydrophobicContact CH2-CG 3.78Å; W76-L129 HydrophobicContact CZ2-CD2 3.89Å; W76-L132 HydrophobicContact CZ2-CD1 4.34Å; W76-E140 HydrophobicContact CZ2-CB 4.46Å; W76-E140 HydrophobicContact CZ2-CG 4.02Å; W76-E140 WeakPolarHBondContact CZ2-OE2 3.25Å; W76-E140 PolarHBondContact NE1-OE2 2.96Å; W76-F187 HydrophobicContact CB-CE2 4.28Å; W76-F187 HydrophobicContact CD2-CE2 4.3Å; W76-F187 HydrophobicContact CD2-CZ 4.15Å; W76-F187 HydrophobicContact CE3-CE2 4.21Å; W76-F187 HydrophobicContact CE3-CZ 4.06Å; W76-F187 HydrophobicContact CG-CE2 4.34Å
77L89.1Confident87Confident1 Ų139 Ų391%0.00518%0.183CC..Hα-helixtrans-60.3-29.6173.4-74.2175.2000112C73 L80 S81 F97 Q101 F187 Q190C73-L77 WeakPolarHBondContact O-CB 3.43Å; C73-L77 WeakPolarHBondContact O-CG 3.48Å; C73-L77 PolarHBondContact O-N 2.95Å; L77-L80 HydrophobicContact CD2-CD1 4.43Å; L77-L80 PolarHBondContact O-N 3.42Å; L77-S81 WeakPolarHBondContact O-CB 3.42Å; L77-S81 PolarHBondContact O-N 3.24Å; L77-S81 PolarHBondContact O-OG 2.95Å; L77-F97 HydrophobicContact CD1-CD2 3.79Å; L77-F97 HydrophobicContact CD1-CE2 4.06Å; L77-Q101 VanDerWaalsContact C-NE2 3.33Å; L77-F187 HydrophobicContact CD1-CD2 4.06Å; L77-F187 HydrophobicContact CD2-CD2 3.81Å; L77-F187 HydrophobicContact CD2-CE2 3.93Å; L77-F187 HydrophobicContact CD2-CG 4.45Å; L77-F187 HydrophobicContact CG-CD2 3.65Å; L77-F187 HydrophobicContact CG-CE2 3.9Å; L77-Q190 HydrophobicContact CD1-CB 3.97Å; L77-Q190 HydrophobicContact CD1-CG 4.17Å; L77-Q190 HydrophobicContact CD2-CB 3.85Å
78K89.1Confident86.8Confident18 Ų1842.5 Ų42.58%0.07821%0.205CC..Hα-helixtrans-68.6-39.8176.1-173.6-175.1165.887.90111.2V74 V75 W76 R82 Q101 F104 P105 E106 V107V74-K78 WeakPolarHBondContact O-CB 3.48Å; V74-K78 PolarHBondContact O-N 3.04Å; V75-K78 WeakPolarHBondContact O-CB 3.24Å; V75-K78 PolarHBondContact O-N 3.45Å; W76-K78 PolarHBondContact O-N 3.03Å; K78-R82 WeakPolarHBondContact O-CB 3.33Å; K78-R82 PolarHBondContact O-N 2.95Å; K78-R82 VanDerWaalsContact O-N 3.16Å; K78-Q101 HydrophobicContact CB-CG 4.29Å; K78-Q101 PolarHBondContact NZ-O 3.3Å; K78-F104 PolarHBondContact NZ-O 3.21Å; K78-P105 WeakPolarHBondContact CE-O 3.43Å; K78-E106 WeakPolarHBondContact CE-OE1 3.43Å; K78-E106 IonicContact NZ-OE1 2.7Å; K78-E106 PolarHBondContact NZ-OE1 2.79Å; K78-E106 IonicContact NZ-OE2 2.7Å; K78-V107 HydrophobicContact CD-CG2 4.43Å
79L89.6Confident86.4Confident7 Ų744.6 Ų44.64%0.03722%0.216CC..Hα-helixtrans-61.5-45.6171.4-67.4166.5000111.2V75 W76 R82 E83 V107 L112V75-L79 PolarHBondContact O-N 3.2Å; W76-L79 WeakPolarHBondContact O-CB 3.49Å; W76-L79 PolarHBondContact O-N 3.37Å; W76-L79 VanDerWaalsContact O-N 3.1Å; L79-R82 WeakPolarHBondContact O-CB 3.39Å; L79-R82 PolarHBondContact O-N 3.38Å; L79-E83 PolarHBondContact O-N 3.42Å; L79-V107 HydrophobicContact CD2-CG2 3.93Å; L79-V107 VanDerWaalsContact CD2-O 3.27Å; L79-V107 WeakPolarHBondContact CD2-O 3.22Å; L79-V107 HydrophobicContact CG-CG2 4.13Å; L79-L112 HydrophobicContact CD1-CB 3.94Å; L79-L112 HydrophobicContact CD1-CD2 3.98Å
80L87.5Confident85.9Confident8 Ų845.8 Ų45.84%0.04222%0.221CC..Hα-helixtrans-68-41.4-178-65.7162.9000112.5W76 L77 R82 E83 A84 F187 F191 L194W76-L80 HydrophobicContact CG-CD1 4.21Å; W76-L80 WeakPolarHBondContact O-CG 3.26Å; W76-L80 PolarHBondContact O-N 3.1Å; L77-L80 HydrophobicContact CD2-CD1 4.43Å; L77-L80 PolarHBondContact O-N 3.42Å; L80-R82 VanDerWaalsContact C-N 3.27Å; L80-R82 PolarHBondContact O-N 3.19Å; L80-E83 PolarHBondContact O-N 3.4Å; L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 2.72Å; L80-F187 HydrophobicContact CD1-CE2 4.49Å; L80-F187 HydrophobicContact CD1-CZ 4.26Å; L80-F191 HydrophobicContact CD1-CD2 4.19Å; L80-F191 HydrophobicContact CD2-CE2 4.44Å; L80-L194 HydrophobicContact CB-CD1 3.9Å
81S86.1Confident85.5Confident16 Ų1642 Ų4211%0.11221%0.208CC..Hα-helixtrans-60.6-35.4171.4-71.50000112.2L77 K85 E86L77-S81 WeakPolarHBondContact O-CB 3.42Å; L77-S81 PolarHBondContact O-N 3.24Å; L77-S81 PolarHBondContact O-OG 2.95Å; S81-K85 PolarHBondContact O-N 2.79Å; S81-K85 VanDerWaalsContact O-N 3.12Å; S81-E86 WeakPolarHBondContact CB-OE2 3.11Å; S81-E86 PolarHBondContact O-N 3.03Å; S81-E86 PolarHBondContact OG-OE2 3.21Å
82R84.6Confident85Confident125 Ų12548.2 Ų48.247%0.47223%0.231SC..Hα-helixtrans-69.7-39.8175.5-178.2-178.2174.8-157.4-1.9112.3K78 L79 L80 K85 V107K78-R82 WeakPolarHBondContact O-CB 3.33Å; K78-R82 PolarHBondContact O-N 2.95Å; K78-R82 VanDerWaalsContact O-N 3.16Å; L79-R82 WeakPolarHBondContact O-CB 3.39Å; L79-R82 PolarHBondContact O-N 3.38Å; L80-R82 VanDerWaalsContact C-N 3.27Å; L80-R82 PolarHBondContact O-N 3.19Å; R82-K85 PolarHBondContact O-N 3.1Å; R82-V107 PolarHBondContact NH1-O 2.88Å
83E84.2Confident84.4Confident67 Ų6755.9 Ų55.931%0.31326%0.26SS..Hα-helixtrans-64.1-45.9173.6-72.3-167.9176.100112.3L79 L80 K85 H109 R136 R143L79-E83 PolarHBondContact O-N 3.42Å; L80-E83 PolarHBondContact O-N 3.4Å; E83-K85 PolarHBondContact O-N 2.93Å; E83-H109 IonicContact OE1-CE1 2.69Å; E83-H109 PolarHBondContact OE1-CE1 3.3Å; E83-R136 IonicContact OE2-NH1 3.93Å; E83-R136 PolarHBondContact OE2-NH1 3.25Å; E83-R136 VanDerWaalsContact OE2-NH1 3.1Å; E83-R143 IonicContact OE1-CZ 2.86Å; E83-R143 IonicContact OE1-NH1 2.62Å; E83-R143 PolarHBondContact OE1-NH1 3.44Å; E83-R143 IonicContact OE1-NH2 2.79Å; E83-R143 PolarHBondContact OE1-NH2 3.42Å; E83-R143 IonicContact OE2-NH1 2.7Å; E83-R143 IonicContact OE2-NH2 3.94Å
84A82.2Confident83.8Confident52 Ų5260.2 Ų60.243%0.4328%0.281SS..THydrogen-bonded Turntrans-72.5-6.4178.700000113.8L80 E86 L194L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 2.72Å; A84-E86 VanDerWaalsContact C-N 3.3Å; A84-E86 PolarHBondContact O-N 2.94Å; A84-L194 HydrophobicContact CB-CB 4.31Å; A84-L194 HydrophobicContact CB-CD2 4.01Å
85K82.3Confident83.5Confident187 Ų18760.7 Ų60.781%0.81328%0.283SS*.THydrogen-bonded Turntrans5345.4-175-55.4175.9-174.3168.90112.5S81 R82 E83 D87S81-K85 PolarHBondContact O-N 2.79Å; S81-K85 VanDerWaalsContact O-N 3.12Å; R82-K85 PolarHBondContact O-N 3.1Å; E83-K85 PolarHBondContact O-N 2.93Å; K85-D87 PolarHBondContact O-N 3.28Å
86E81.3Confident83.1Confident38 Ų3864 Ų6418%0.17830%0.304CS..  trans-58.3134.6-174.6-178.6166.4-124.500112.9S81 A84 V88 A91 R193 L194S81-E86 WeakPolarHBondContact CB-OE2 3.11Å; S81-E86 PolarHBondContact O-N 3.03Å; S81-E86 PolarHBondContact OG-OE2 3.21Å; A84-E86 VanDerWaalsContact C-N 3.3Å; A84-E86 PolarHBondContact O-N 2.94Å; E86-V88 PolarHBondContact O-N 3.47Å; E86-A91 HydrophobicContact CG-CB 4.08Å; E86-R193 IonicContact OE1-CZ 2.73Å; E86-R193 IonicContact OE1-NE 3.8Å; E86-R193 PolarHBondContact OE1-NE 3.33Å; E86-R193 IonicContact OE1-NH2 3.37Å; E86-R193 PolarHBondContact OE1-NH2 2.9Å; E86-R193 IonicContact OE2-NH2 3.16Å; E86-R193 PolarHBondContact OE2-NH2 3.47Å; E86-L194 HydrophobicContact CB-CD2 3.95Å; E86-L194 VanDerWaalsContact CD-CD2 3.42Å; E86-L194 HydrophobicContact CG-CD2 4.13Å; E86-L194 WeakPolarHBondContact OE1-CD2 3.26Å
87D79.9Confident82.8Confident98 Ų9864.3 Ų64.352%0.52431%0.306SS..  trans-68.7123.9174.617422.5000111.3K85 E89 K90 A91K85-D87 PolarHBondContact O-N 3.28Å; D87-E89 VanDerWaalsContact C-N 3.25Å; D87-E89 PolarHBondContact O-N 3.02Å; D87-E89 PolarHBondContact OD1-N 3.34Å; D87-K90 HydrophobicContact CB-CB 4.24Å; D87-K90 PolarHBondContact O-N 3Å; D87-K90 VanDerWaalsContact O-N 3.12Å; D87-A91 WeakPolarHBondContact O-CB 3.44Å; D87-A91 PolarHBondContact O-N 2.83Å
88V79.8Confident82.6Confident88 Ų8866.4 Ų66.453%0.53332%0.315SS..Hα-helixtrans-58.2-36.3177.7-174.50000111.7E86 K90 A91 W92 F98E86-V88 PolarHBondContact O-N 3.47Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 3.13Å; V88-A91 PolarHBondContact O-N 3.47Å; V88-W92 PolarHBondContact O-N 3.19Å; V88-W92 VanDerWaalsContact O-N 3.09Å; V88-F98 HydrophobicContact CG1-CE2 4.04Å; V88-F98 HydrophobicContact CG1-CZ 3.89Å
89E78.8Confident82.2Confident97 Ų9768.5 Ų68.545%0.45333%0.332SS..Hα-helixtrans-69.9-27179-89.4-62.1142.200113.6D87 W92 R93D87-E89 VanDerWaalsContact C-N 3.25Å; D87-E89 PolarHBondContact O-N 3.02Å; D87-E89 PolarHBondContact OD1-N 3.34Å; E89-W92 VanDerWaalsContact CD-NE1 3.3Å; E89-W92 PolarHBondContact O-NE1 3.46Å; E89-W92 PolarHBondContact OE1-NE1 2.97Å; E89-W92 PolarHBondContact OE2-NE1 3.25Å; E89-R93 WeakPolarHBondContact O-CD 3.31Å; E89-R93 PolarHBondContact O-NE 2.93Å; E89-R93 IonicContact OE2-CZ 2.84Å; E89-R93 IonicContact OE2-NE 3.78Å; E89-R93 IonicContact OE2-NH2 2.62Å; E89-R93 PolarHBondContact OE2-NH2 2.82Å
90K77.7Confident81.9Confident70 Ų7068.6 Ų68.630%0.30433%0.332SS..Hα-helixtrans-81.7-45.5170.5-167.8178.4-177.9-174.90111D87 V88 W92 R93 E94D87-K90 HydrophobicContact CB-CB 4.24Å; D87-K90 PolarHBondContact O-N 3Å; D87-K90 VanDerWaalsContact O-N 3.12Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 3.13Å; K90-W92 PolarHBondContact O-N 2.68Å; K90-R93 PolarHBondContact O-N 2.96Å; K90-R93 VanDerWaalsContact O-N 3.17Å; K90-E94 WeakPolarHBondContact CE-OE1 3.33Å; K90-E94 WeakPolarHBondContact CE-OE2 3.28Å; K90-E94 WeakPolarHBondContact CG-OE1 3.43Å; K90-E94 PolarHBondContact O-N 2.92Å
91A78.5Confident81.9Confident6 Ų668.6 Ų68.65%0.0533%0.332CS..Hα-helixtrans-58.5-42.8-176.700000112.8E86 D87 V88 R93 E94 N95 F98E86-A91 HydrophobicContact CG-CB 4.08Å; D87-A91 WeakPolarHBondContact O-CB 3.44Å; D87-A91 PolarHBondContact O-N 2.83Å; V88-A91 PolarHBondContact O-N 3.47Å; A91-R93 PolarHBondContact O-N 3.37Å; A91-R93 VanDerWaalsContact O-N 3.1Å; A91-E94 PolarHBondContact O-N 3.3Å; A91-N95 WeakPolarHBondContact O-CB 3.46Å; A91-N95 PolarHBondContact O-N 2.93Å; A91-F98 VanDerWaalsContact C-CD2 3.48Å; A91-F98 HydrophobicContact CB-CD2 3.68Å; A91-F98 HydrophobicContact CB-CE2 3.77Å
92W79.6Confident81.8Confident133 Ų13372.2 Ų72.250%0.50435%0.35SS..Hα-helixtrans-64.7-20.2-177.979.3-104.5000114.3V88 E89 K90 F98V88-W92 PolarHBondContact O-N 3.19Å; V88-W92 VanDerWaalsContact O-N 3.09Å; E89-W92 VanDerWaalsContact CD-NE1 3.3Å; E89-W92 PolarHBondContact O-NE1 3.46Å; E89-W92 PolarHBondContact OE1-NE1 2.97Å; E89-W92 PolarHBondContact OE2-NE1 3.25Å; K90-W92 PolarHBondContact O-N 2.68Å; W92-F98 HydrophobicContact CB-CD1 3.77Å; W92-F98 HydrophobicContact CB-CD2 4.1Å; W92-F98 HydrophobicContact CB-CE1 3.47Å; W92-F98 VanDerWaalsContact CB-CE1 3.47Å; W92-F98 HydrophobicContact CB-CE2 3.81Å; W92-F98 HydrophobicContact CB-CG 4.08Å; W92-F98 HydrophobicContact CB-CZ 3.5Å; W92-F98 VanDerWaalsContact CB-CZ 3.5Å
93R77.9Confident81.8Confident160 Ų16066.8 Ų66.860%0.60433%0.332SS*.Hα-helixtrans-93.6-34.6-178.9-52.9178-159.9-165.42.6112.5E89 K90 A91E89-R93 WeakPolarHBondContact O-CD 3.31Å; E89-R93 PolarHBondContact O-NE 2.93Å; E89-R93 IonicContact OE2-CZ 2.84Å; E89-R93 IonicContact OE2-NE 3.78Å; E89-R93 IonicContact OE2-NH2 2.62Å; E89-R93 PolarHBondContact OE2-NH2 2.82Å; K90-R93 PolarHBondContact O-N 2.96Å; K90-R93 VanDerWaalsContact O-N 3.17Å; A91-R93 PolarHBondContact O-N 3.37Å; A91-R93 VanDerWaalsContact O-N 3.1Å
94E79.1Confident82Confident92 Ų9264 Ų6443%0.4332%0.318SS..Hα-helixtrans-112.7-9.2-167.5-63.9176.5-157.200114K90 A91 Q190 R193K90-E94 WeakPolarHBondContact CE-OE1 3.33Å; K90-E94 WeakPolarHBondContact CE-OE2 3.28Å; K90-E94 WeakPolarHBondContact CG-OE1 3.43Å; K90-E94 PolarHBondContact O-N 2.92Å; A91-E94 PolarHBondContact O-N 3.3Å; E94-Q190 PolarHBondContact O-NE2 3.16Å; E94-R193 PolarHBondContact O-NH1 2.88Å; E94-R193 WeakPolarHBondContact OE2-CD 3.33Å
95N83.1Confident82.2Confident10 Ų1062.4 Ų62.45%0.05330%0.304CS..  trans-107.2110.8-178.1-176.8-18.7000112.2A91 F97 F98 Q101 Q190A91-N95 WeakPolarHBondContact O-CB 3.46Å; A91-N95 PolarHBondContact O-N 2.93Å; N95-F97 PolarHBondContact O-N 3.49Å; N95-F97 WeakPolarHBondContact OD1-CA 3.3Å; N95-F97 WeakPolarHBondContact OD1-CB 3.27Å; N95-F97 PolarHBondContact OD1-N 3.21Å; N95-F98 HydrophobicContact CB-CB 4.17Å; N95-F98 VanDerWaalsContact O-CB 3.23Å; N95-F98 WeakPolarHBondContact O-CB 3.41Å; N95-F98 PolarHBondContact O-N 2.85Å; N95-F98 VanDerWaalsContact O-N 3.12Å; N95-F98 PolarHBondContact OD1-N 3.16Å; N95-Q101 PolarHBondContact ND2-OE1 3.03Å; N95-Q190 VanDerWaalsContact CB-OE1 3.23Å; N95-Q190 PolarHBondContact OD1-OE1 3.06Å
96P82.3Confident82.4Confident70 Ų7057.1 Ų57.146%0.45528%0.282SS..THydrogen-bonded Turntrans-70.6-11.8-177.531.5-36.3000113.5M186 Q190P96-M186 HydrophobicContact CB-CE 3.55Å; P96-M186 HydrophobicContact CG-CE 3.43Å; P96-M186 VanDerWaalsContact CG-CE 3.43Å; P96-Q190 VanDerWaalsContact CD-CD 3.49Å; P96-Q190 VanDerWaalsContact CD-NE2 3.3Å
97F86.1Confident82.9Confident7 Ų755.5 Ų55.53%0.03127%0.274CS..THydrogen-bonded Turntrans-100.5-1.5175.5-58.5-63.2000113.3R70 C73 V74 L77 N95 S99 L100 Q101 I183 M186R70-F97 HydrophobicContact CG-CE1 4.49Å; C73-F97 VanDerWaalsContact SG-CE2 3.56Å; V74-F97 HydrophobicContact CG2-CB 4.11Å; V74-F97 HydrophobicContact CG2-CD1 3.61Å; V74-F97 HydrophobicContact CG2-CE1 4.22Å; V74-F97 HydrophobicContact CG2-CG 3.9Å; L77-F97 HydrophobicContact CD1-CD2 3.79Å; L77-F97 HydrophobicContact CD1-CE2 4.06Å; N95-F97 PolarHBondContact O-N 3.49Å; N95-F97 WeakPolarHBondContact OD1-CA 3.3Å; N95-F97 WeakPolarHBondContact OD1-CB 3.27Å; N95-F97 PolarHBondContact OD1-N 3.21Å; F97-S99 VanDerWaalsContact C-N 3.31Å; F97-S99 PolarHBondContact O-N 2.84Å; F97-S99 VanDerWaalsContact O-N 3.16Å; F97-L100 PolarHBondContact O-N 2.77Å; F97-Q101 HydrophobicContact CB-CG 4.13Å; F97-Q101 PolarHBondContact O-N 3.44Å; F97-I183 HydrophobicContact CZ-CG2 4.34Å; F97-M186 HydrophobicContact CE1-CE 4.03Å; F97-M186 HydrophobicContact CE2-CB 3.92Å; F97-M186 HydrophobicContact CE2-CE 4.05Å; F97-M186 HydrophobicContact CZ-CB 4.09Å; F97-M186 HydrophobicContact CZ-CE 3.58Å; F97-M186 HydrophobicContact CZ-SD 3.86Å
98F84.8Confident83.4Confident45 Ų4552 Ų5220%0.19726%0.256CS..Hα-helixtrans-49.8-46.1-173-177.9-92.4000113.8V88 A91 W92 N95 L100 Q101 N102V88-F98 HydrophobicContact CG1-CE2 4.04Å; V88-F98 HydrophobicContact CG1-CZ 3.89Å; A91-F98 VanDerWaalsContact C-CD2 3.48Å; A91-F98 HydrophobicContact CB-CD2 3.68Å; A91-F98 HydrophobicContact CB-CE2 3.77Å; W92-F98 HydrophobicContact CB-CD1 3.77Å; W92-F98 HydrophobicContact CB-CD2 4.1Å; W92-F98 HydrophobicContact CB-CE1 3.47Å; W92-F98 VanDerWaalsContact CB-CE1 3.47Å; W92-F98 HydrophobicContact CB-CE2 3.81Å; W92-F98 HydrophobicContact CB-CG 4.08Å; W92-F98 HydrophobicContact CB-CZ 3.5Å; W92-F98 VanDerWaalsContact CB-CZ 3.5Å; N95-F98 HydrophobicContact CB-CB 4.17Å; N95-F98 VanDerWaalsContact O-CB 3.23Å; N95-F98 WeakPolarHBondContact O-CB 3.41Å; N95-F98 PolarHBondContact O-N 2.85Å; N95-F98 VanDerWaalsContact O-N 3.12Å; N95-F98 PolarHBondContact OD1-N 3.16Å; F98-L100 VanDerWaalsContact C-N 3.29Å; F98-L100 PolarHBondContact O-N 3.21Å; F98-Q101 PolarHBondContact O-N 3.47Å; F98-N102 WeakPolarHBondContact CD2-ND2 3.44Å; F98-N102 WeakPolarHBondContact CE1-ND2 3.48Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.33Å; F98-N102 WeakPolarHBondContact CG-ND2 3.2Å; F98-N102 VanDerWaalsContact CZ-ND2 3.25Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.43Å; F98-N102 WeakPolarHBondContact O-CB 3.49Å; F98-N102 PolarHBondContact O-N 3.07Å; F98-N102 PolarHBondContact O-ND2 3.32Å
99S81.6Confident83.9Confident63 Ų6349.6 Ų49.644%0.44124%0.239SC..Hα-helixtrans-62.7-33.9-178.754.10000113.1F97F97-S99 VanDerWaalsContact C-N 3.31Å; F97-S99 PolarHBondContact O-N 2.84Å; F97-S99 VanDerWaalsContact O-N 3.16Å
100L83.8Confident84.5Confident8 Ų846.3 Ų46.34%0.04223%0.225CC..Hα-helixtrans-83.1-39.9177.9-169.459.6000111.3V74 F97 F98 N102 S103 F104V74-L100 HydrophobicContact CG1-CB 4.43Å; V74-L100 HydrophobicContact CG1-CD2 4.04Å; V74-L100 HydrophobicContact CG1-CG 4.03Å; V74-L100 HydrophobicContact CG2-CD2 3.97Å; F97-L100 PolarHBondContact O-N 2.77Å; F98-L100 VanDerWaalsContact C-N 3.29Å; F98-L100 PolarHBondContact O-N 3.21Å; L100-N102 PolarHBondContact O-N 3.28Å; L100-S103 WeakPolarHBondContact O-CB 3.46Å; L100-S103 PolarHBondContact O-N 3.38Å; L100-S103 VanDerWaalsContact O-N 3.12Å; L100-S103 PolarHBondContact O-OG 2.89Å; L100-F104 HydrophobicContact CD1-CE1 3.8Å; L100-F104 HydrophobicContact CD1-CE2 4.47Å; L100-F104 HydrophobicContact CD1-CZ 3.66Å; L100-F104 HydrophobicContact CD2-CZ 4.37Å; L100-F104 HydrophobicContact CG-CE1 4.29Å; L100-F104 HydrophobicContact CG-CE2 4.1Å; L100-F104 HydrophobicContact CG-CZ 3.76Å; L100-F104 PolarHBondContact O-N 2.96Å
101Q86.1Confident85.1Confident8 Ų843 Ų434%0.03721%0.211CC..Hα-helixtrans-65.6-38.1179.1-70.7-178.3-43.900113.4V74 L77 K78 N95 F97 F98 S103 F104V74-Q101 HydrophobicContact CG1-CG 3.77Å; V74-Q101 PolarHBondContact O-NE2 2.76Å; L77-Q101 VanDerWaalsContact C-NE2 3.33Å; K78-Q101 HydrophobicContact CB-CG 4.29Å; K78-Q101 PolarHBondContact NZ-O 3.3Å; N95-Q101 PolarHBondContact ND2-OE1 3.03Å; F97-Q101 HydrophobicContact CB-CG 4.13Å; F97-Q101 PolarHBondContact O-N 3.44Å; F98-Q101 PolarHBondContact O-N 3.47Å; Q101-S103 VanDerWaalsContact C-N 3.28Å; Q101-F104 PolarHBondContact O-N 3.4Å
102N84.6Confident85.8Confident93 Ų9342.7 Ų42.750%0.49721%0.208SC..THydrogen-bonded Turntrans-77.1-15.3174.1-71.8-88.2000112.8F98 L100 F104F98-N102 WeakPolarHBondContact CD2-ND2 3.44Å; F98-N102 WeakPolarHBondContact CE1-ND2 3.48Å; F98-N102 WeakPolarHBondContact CE2-ND2 3.33Å; F98-N102 WeakPolarHBondContact CG-ND2 3.2Å; F98-N102 VanDerWaalsContact CZ-ND2 3.25Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.43Å; F98-N102 WeakPolarHBondContact O-CB 3.49Å; F98-N102 PolarHBondContact O-N 3.07Å; F98-N102 PolarHBondContact O-ND2 3.32Å; L100-N102 PolarHBondContact O-N 3.28Å; N102-F104 VanDerWaalsContact C-N 3.3Å
103S83.7Confident86.4Confident11 Ų1136.5 Ų36.58%0.07719%0.185CC..THydrogen-bonded Turntrans-74.2-24.5172.288.20000112.1Q13 L100 Q101Q13-S103 WeakPolarHBondContact CG-O 3.44Å; Q13-S103 PolarHBondContact NE2-O 2.69Å; L100-S103 WeakPolarHBondContact O-CB 3.46Å; L100-S103 PolarHBondContact O-N 3.38Å; L100-S103 VanDerWaalsContact O-N 3.12Å; L100-S103 PolarHBondContact O-OG 2.89Å; Q101-S103 VanDerWaalsContact C-N 3.28Å
104F88Confident87.1Confident7 Ų729.5 Ų29.53%0.03116%0.159CC..SBendtrans-93.7142.3-178.3-61.4-15.5000112.3L12 F16 I71 V74 K78 L100 Q101 N102L12-F104 HydrophobicContact CB-CE1 4.15Å; L12-F104 HydrophobicContact CB-CZ 4.15Å; F16-F104 HydrophobicContact CB-CD1 4.26Å; F16-F104 HydrophobicContact CD2-CD1 4.27Å; F16-F104 HydrophobicContact CD2-CE1 4.17Å; F16-F104 HydrophobicContact CD2-CZ 4.31Å; F16-F104 HydrophobicContact CE2-CE2 4.37Å; F16-F104 HydrophobicContact CE2-CZ 4.39Å; F16-F104 HydrophobicContact CG-CD1 4.28Å; F16-F104 HydrophobicContact CG-CG 4.36Å; I71-F104 HydrophobicContact CD1-CE2 3.64Å; I71-F104 HydrophobicContact CD1-CZ 3.87Å; V74-F104 HydrophobicContact CG1-CD2 4.1Å; V74-F104 HydrophobicContact CG1-CE2 3.65Å; K78-F104 PolarHBondContact NZ-O 3.21Å; L100-F104 HydrophobicContact CD1-CE1 3.8Å; L100-F104 HydrophobicContact CD1-CE2 4.47Å; L100-F104 HydrophobicContact CD1-CZ 3.66Å; L100-F104 HydrophobicContact CD2-CZ 4.37Å; L100-F104 HydrophobicContact CG-CE1 4.29Å; L100-F104 HydrophobicContact CG-CE2 4.1Å; L100-F104 HydrophobicContact CG-CZ 3.76Å; L100-F104 PolarHBondContact O-N 2.96Å; Q101-F104 PolarHBondContact O-N 3.4Å; N102-F104 VanDerWaalsContact C-N 3.3Å
105P87.2Confident87.6Confident19 Ų1925.1 Ų25.112%0.12314%0.139CC..PPolyproline II helixtrans-64.8164.8171.932.4-36.7000111.5F16 E20 L28 K78F16-P105 HydrophobicContact CB-CG 4.3Å; E20-P105 HydrophobicContact CB-CB 4.24Å; E20-P105 HydrophobicContact CB-CG 4.16Å; E20-P105 HydrophobicContact CG-CB 4.14Å; L28-P105 HydrophobicContact CD1-CG 3.63Å; K78-P105 WeakPolarHBondContact CE-O 3.43Å
106E87.2Confident88Confident77 Ų7724.6 Ų24.636%0.3614%0.136SC..PPolyproline II helixtrans-66.8139.4177.5-66.2-50.1125.400112.1L28 S29 K78L28-E106 CarbonylContact C-O 3.54Å; L28-E106 WeakPolarHBondContact CB-O 3.29Å; S29-E106 WeakPolarHBondContact CA-O 3.46Å; S29-E106 PolarHBondContact N-O 3.45Å; K78-E106 WeakPolarHBondContact CE-OE1 3.43Å; K78-E106 IonicContact NZ-OE1 2.7Å; K78-E106 PolarHBondContact NZ-OE1 2.79Å; K78-E106 IonicContact NZ-OE2 2.7Å
107V90.4Very high88.5Confident3 Ų323.8 Ų23.82%0.01813%0.125CC..  trans-127.1172.8-172.1-72.80000111.3F16 L28 V75 K78 L79 R82 V111F16-V107 HydrophobicContact CE1-CG1 4.33Å; L28-V107 HydrophobicContact CB-CG1 4.27Å; V75-V107 HydrophobicContact CG1-CG2 4.36Å; K78-V107 HydrophobicContact CD-CG2 4.43Å; L79-V107 HydrophobicContact CD2-CG2 3.93Å; L79-V107 VanDerWaalsContact CD2-O 3.27Å; L79-V107 WeakPolarHBondContact CD2-O 3.22Å; L79-V107 HydrophobicContact CG-CG2 4.13Å; R82-V107 PolarHBondContact NH1-O 2.88Å; V107-V111 HydrophobicContact CB-CB 4.34Å; V107-V111 HydrophobicContact CB-CG1 4.21Å; V107-V111 HydrophobicContact CG1-CB 4.46Å; V107-V111 HydrophobicContact CG1-CG1 3.9Å
108N90.8Very high88.6Confident26 Ų2625.9 Ų25.914%0.13914%0.141CC..  trans-125.9177.317370.40.5000111.7L31 T110 V111 L112L31-N108 PolarHBondContact N-ND2 3.12Å; L31-N108 PolarHBondContact O-ND2 2.8Å; N108-T110 VanDerWaalsContact C-N 3.32Å; N108-T110 PolarHBondContact O-N 3.05Å; N108-T110 WeakPolarHBondContact OD1-CB 3.34Å; N108-T110 PolarHBondContact OD1-N 3.45Å; N108-V111 PolarHBondContact O-N 2.81Å; N108-V111 WeakPolarHBondContact OD1-CG2 3.41Å; N108-V111 PolarHBondContact OD1-N 3.27Å; N108-L112 PolarHBondContact O-N 2.9Å
109H90.6Very high88.6Confident37 Ų3724.6 Ų24.617%0.17114%0.137CC..Hα-helixtrans-66.5-30.5179.1-68.194.6000113E83 V111 L112 L113 E140 R143E83-H109 IonicContact OE1-CE1 2.69Å; E83-H109 PolarHBondContact OE1-CE1 3.3Å; H109-V111 VanDerWaalsContact C-N 3.33Å; H109-V111 PolarHBondContact O-N 3.37Å; H109-L112 WeakPolarHBondContact O-CB 3.47Å; H109-L112 PolarHBondContact O-N 2.62Å; H109-L112 VanDerWaalsContact O-N 3.11Å; H109-L113 WeakPolarHBondContact O-CG 3.32Å; H109-L113 PolarHBondContact O-N 3.2Å; H109-E140 IonicContact CD2-OE2 3.61Å; H109-R143 PolarHBondContact CE1-NH1 3.2Å; H109-R143 PolarHBondContact NE2-NH1 2.91Å
110T90.7Very high88.8Confident27 Ų2725 Ų2517%0.16614%0.144CC..Hα-helixtrans-56.8-44.6172.7-51.30000111.7K33 N108 L113 E114K33-T110 HydrophobicContact CB-CG2 3.95Å; N108-T110 VanDerWaalsContact C-N 3.32Å; N108-T110 PolarHBondContact O-N 3.05Å; N108-T110 WeakPolarHBondContact OD1-CB 3.34Å; N108-T110 PolarHBondContact OD1-N 3.45Å; T110-L113 PolarHBondContact O-N 3.2Å; T110-E114 WeakPolarHBondContact O-CB 3.32Å; T110-E114 PolarHBondContact O-N 3.41Å
111V90.6Very high89Confident0 Ų024.6 Ų24.60%014%0.142CC..Hα-helixtrans-63.2-39174.7168.50000111.8L28 L31 W36 V107 N108 H109 L115L28-V111 HydrophobicContact CD2-CG2 4.07Å; L31-V111 HydrophobicContact CB-CG2 4.24Å; L31-V111 HydrophobicContact CD2-CG2 3.65Å; W36-V111 HydrophobicContact CZ3-CB 4.46Å; W36-V111 HydrophobicContact CZ3-CG1 4.13Å; W36-V111 HydrophobicContact CZ3-CG2 4.34Å; V107-V111 HydrophobicContact CB-CB 4.34Å; V107-V111 HydrophobicContact CB-CG1 4.21Å; V107-V111 HydrophobicContact CG1-CB 4.46Å; V107-V111 HydrophobicContact CG1-CG1 3.9Å; N108-V111 PolarHBondContact O-N 2.81Å; N108-V111 WeakPolarHBondContact OD1-CG2 3.41Å; N108-V111 PolarHBondContact OD1-N 3.27Å; H109-V111 VanDerWaalsContact C-N 3.33Å; H109-V111 PolarHBondContact O-N 3.37Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 PolarHBondContact O-N 3.47Å; V111-L115 VanDerWaalsContact O-N 3.14Å
112L92.8Very high89.2Confident0 Ų024.3 Ų24.30%014%0.141CC..Hα-helixtrans-66.3-50.3176.4174.664.4000111.7V72 V75 W76 L79 N108 H109 L115 V116 F125V72-L112 HydrophobicContact CG1-CD1 4.35Å; V75-L112 HydrophobicContact CB-CD1 4.43Å; V75-L112 HydrophobicContact CG1-CB 4.29Å; V75-L112 HydrophobicContact CG1-CD1 4.04Å; W76-L112 HydrophobicContact CB-CD1 4.12Å; W76-L112 HydrophobicContact CB-CD2 3.89Å; W76-L112 HydrophobicContact CD2-CD2 3.75Å; W76-L112 HydrophobicContact CE3-CD2 4.42Å; W76-L112 HydrophobicContact CG-CD2 3.5Å; W76-L112 VanDerWaalsContact CG-CD2 3.5Å; L79-L112 HydrophobicContact CD1-CB 3.94Å; L79-L112 HydrophobicContact CD1-CD2 3.98Å; N108-L112 PolarHBondContact O-N 2.9Å; H109-L112 WeakPolarHBondContact O-CB 3.47Å; H109-L112 PolarHBondContact O-N 2.62Å; H109-L112 VanDerWaalsContact O-N 3.11Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-V116 HydrophobicContact CD1-CG2 4.25Å; L112-V116 VanDerWaalsContact O-CG2 3.32Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 3.13Å; L112-F125 HydrophobicContact CD2-CE2 4.19Å; L112-F125 HydrophobicContact CG-CE2 4.49Å
113L92.8Very high89.3Confident4 Ų422.6 Ų22.62%0.02114%0.135CC..Hα-helixtrans-69.3-44.5-173.4-66.1177.2000112H109 T110 L115 V116 K117 F125 L144 H147 F160H109-L113 WeakPolarHBondContact O-CG 3.32Å; H109-L113 PolarHBondContact O-N 3.2Å; T110-L113 PolarHBondContact O-N 3.2Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.31Å; L113-V116 PolarHBondContact O-N 3.06Å; L113-K117 WeakPolarHBondContact O-CB 3.44Å; L113-K117 PolarHBondContact O-N 3.37Å; L113-F125 HydrophobicContact CD2-CE1 4.2Å; L113-F125 HydrophobicContact CD2-CE2 3.93Å; L113-F125 HydrophobicContact CD2-CZ 3.58Å; L113-L144 HydrophobicContact CD1-CD1 4.3Å; L113-L144 HydrophobicContact CD2-CD1 4.14Å; L113-H147 HydrophobicContact CD1-CB 3.48Å; L113-H147 VanDerWaalsContact CD1-CB 3.48Å; L113-F160 HydrophobicContact CB-CE1 4.48Å
114E92.4Very high89.5Confident12 Ų1222.8 Ų22.86%0.05614%0.135CC..Hα-helixtrans-66.9-31.2174-73.3-59.9139.500112.5K33 W36 T110 K117 S118 H147K33-E114 HydrophobicContact CG-CG 4.45Å; W36-E114 HydrophobicContact CB-CB 4.41Å; W36-E114 HydrophobicContact CB-CG 4.18Å; W36-E114 HydrophobicContact CD2-CB 3.62Å; W36-E114 HydrophobicContact CD2-CG 4.36Å; W36-E114 HydrophobicContact CE3-CB 4.3Å; W36-E114 HydrophobicContact CG-CB 3.63Å; W36-E114 HydrophobicContact CG-CG 3.89Å; W36-E114 HydrophobicContact CZ2-CB 4.24Å; T110-E114 WeakPolarHBondContact O-CB 3.32Å; T110-E114 PolarHBondContact O-N 3.41Å; E114-K117 IonicContact OE1-NZ 2.68Å; E114-K117 IonicContact OE2-NZ 2.97Å; E114-S118 WeakPolarHBondContact O-CB 3.24Å; E114-S118 PolarHBondContact O-N 3.44Å; E114-S118 PolarHBondContact O-OG 2.93Å; E114-H147 IonicContact OE1-CD2 2.67Å; E114-H147 IonicContact OE1-CE1 3.31Å; E114-H147 PolarHBondContact OE1-CE1 3.46Å; E114-H147 IonicContact OE1-NE2 3.35Å; E114-H147 PolarHBondContact OE1-NE2 3.18Å
115L91Very high89.6Confident0 Ų022.5 Ų22.50%013%0.134CC..Hα-helixtrans-65.6-43.5172.2178.664.4000111.8W36 I43 L44 L47 I71 V75 V111 L112 L113 T119W36-L115 HydrophobicContact CH2-CB 4.12Å; W36-L115 HydrophobicContact CH2-CD1 4.47Å; W36-L115 HydrophobicContact CZ2-CB 4.31Å; I43-L115 HydrophobicContact CG2-CD1 3.96Å; L44-L115 HydrophobicContact CD2-CD1 4.19Å; L47-L115 HydrophobicContact CD1-CD1 3.72Å; I71-L115 HydrophobicContact CG1-CD2 4.11Å; V75-L115 HydrophobicContact CG2-CD2 4.23Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 PolarHBondContact O-N 3.47Å; V111-L115 VanDerWaalsContact O-N 3.14Å; L112-L115 PolarHBondContact O-N 3.49Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.31Å; L115-T119 HydrophobicContact CD1-CG2 4.05Å; L115-T119 WeakPolarHBondContact O-CB 3.48Å; L115-T119 VanDerWaalsContact O-CG2 3.31Å; L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 2.99Å; L115-T119 VanDerWaalsContact O-N 3.16Å; L115-T119 PolarHBondContact O-OG1 3.23Å
116V91.5Very high89.8Confident0 Ų021.6 Ų21.60%013%0.128CC..Hα-helixtrans-62.7-49.2177.1171.10000110.5V72 L112 L113 T119 A120 A121 F125 F160V72-V116 HydrophobicContact CG1-CG2 4.1Å; V72-V116 HydrophobicContact CG2-CG2 3.98Å; L112-V116 HydrophobicContact CD1-CG2 4.25Å; L112-V116 VanDerWaalsContact O-CG2 3.32Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 3.13Å; L113-V116 PolarHBondContact O-N 3.06Å; V116-T119 PolarHBondContact O-N 2.92Å; V116-T119 PolarHBondContact O-OG1 3.43Å; V116-A120 PolarHBondContact O-N 2.91Å; V116-A121 HydrophobicContact CG1-CB 4.08Å; V116-A121 PolarHBondContact O-N 2.81Å; V116-F125 HydrophobicContact CB-CB 4.47Å; V116-F125 HydrophobicContact CG1-CB 3.54Å; V116-F125 HydrophobicContact CG1-CG 4.03Å; V116-F125 HydrophobicContact CG2-CB 4.07Å; V116-F125 HydrophobicContact CG2-CD2 3.9Å; V116-F125 HydrophobicContact CG2-CG 4.23Å; V116-F160 HydrophobicContact CB-CE2 4.4Å; V116-F160 HydrophobicContact CB-CZ 4.09Å; V116-F160 HydrophobicContact CG1-CE2 3.64Å; V116-F160 HydrophobicContact CG1-CZ 3.7Å
117K91.1Very high89.8Confident52 Ų5222.1 Ų22.123%0.22613%0.126CC..Hα-helixtrans-58.3-54.7176-179.9-178.4168.6-159.10111.8L113 E114 T119 A120 D157 F160L113-K117 WeakPolarHBondContact O-CB 3.44Å; L113-K117 PolarHBondContact O-N 3.37Å; E114-K117 IonicContact OE1-NZ 2.68Å; E114-K117 IonicContact OE2-NZ 2.97Å; K117-T119 PolarHBondContact O-N 3.29Å; K117-A120 PolarHBondContact O-N 3.11Å; K117-D157 IonicContact NZ-OD1 3.13Å; K117-D157 PolarHBondContact NZ-OD1 3.2Å; K117-F160 HydrophobicContact CB-CD1 3.93Å; K117-F160 HydrophobicContact CB-CD2 4.03Å; K117-F160 HydrophobicContact CB-CE1 4.07Å; K117-F160 HydrophobicContact CB-CE2 4.2Å; K117-F160 HydrophobicContact CB-CG 3.91Å; K117-F160 HydrophobicContact CB-CZ 4.21Å; K117-F160 HydrophobicContact CD-CB 4.22Å; K117-F160 HydrophobicContact CD-CD1 4.09Å; K117-F160 HydrophobicContact CD-CG 4.22Å; K117-F160 HydrophobicContact CG-CB 4.09Å; K117-F160 HydrophobicContact CG-CD1 4.2Å; K117-F160 HydrophobicContact CG-CD2 4.35Å; K117-F160 HydrophobicContact CG-CG 3.94Å
118S88.4Confident89.8Confident52 Ų5222 Ų2236%0.36413%0.126SC..Hα-helixtrans-64.6-11.7-178.2-57.40000114.5W36 E114W36-S118 PolarHBondContact NE1-OG 2.93Å; E114-S118 WeakPolarHBondContact O-CB 3.24Å; E114-S118 PolarHBondContact O-N 3.44Å; E114-S118 PolarHBondContact O-OG 2.93Å
119T86Confident89.8Confident18 Ų1820.8 Ų20.811%0.1112%0.119CC..THydrogen-bonded Turntrans-112.66.4177.459.50000113.5L44 L47 K68 L115 V116 K117 A121L44-T119 HydrophobicContact CD2-CG2 3.89Å; L47-T119 HydrophobicContact CD1-CG2 3.98Å; K68-T119 WeakPolarHBondContact CE-O 3.17Å; K68-T119 PolarHBondContact NZ-O 3.28Å; L115-T119 HydrophobicContact CD1-CG2 4.05Å; L115-T119 WeakPolarHBondContact O-CB 3.48Å; L115-T119 VanDerWaalsContact O-CG2 3.31Å; L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 2.99Å; L115-T119 VanDerWaalsContact O-N 3.16Å; L115-T119 PolarHBondContact O-OG1 3.23Å; V116-T119 PolarHBondContact O-N 2.92Å; V116-T119 PolarHBondContact O-OG1 3.43Å; K117-T119 PolarHBondContact O-N 3.29Å; T119-A121 VanDerWaalsContact C-N 3.29Å; T119-A121 PolarHBondContact O-N 3.46Å; T119-A121 WeakPolarHBondContact OG1-CB 3.37Å
120A85.1Confident89.7Confident71 Ų7120.8 Ų20.859%0.58712%0.12SC*.THydrogen-bonded Turntrans50.148.7-17300000111.9V116 K117V116-A120 PolarHBondContact O-N 2.91Å; K117-A120 PolarHBondContact O-N 3.11Å
121A88.5Confident89.5Confident0 Ų021.7 Ų21.70%012%0.124CC..  trans-105.717.4-174.400000113.5V72 V116 T119 P123 I124 F125V72-A121 HydrophobicContact CG2-CB 4.36Å; V116-A121 HydrophobicContact CG1-CB 4.08Å; V116-A121 PolarHBondContact O-N 2.81Å; T119-A121 VanDerWaalsContact C-N 3.29Å; T119-A121 PolarHBondContact O-N 3.46Å; T119-A121 WeakPolarHBondContact OG1-CB 3.37Å; A121-P123 VanDerWaalsContact C-CD 3.44Å; A121-P123 VanDerWaalsContact C-N 3.33Å; A121-I124 HydrophobicContact CB-CB 4.34Å; A121-I124 HydrophobicContact CB-CD1 4.26Å; A121-I124 WeakPolarHBondContact O-CA 3.48Å; A121-I124 WeakPolarHBondContact O-CB 3.24Å; A121-I124 PolarHBondContact O-N 2.75Å; A121-F125 PolarHBondContact O-N 3.06Å
122A89.2Confident89.4Confident1 Ų122.3 Ų22.31%0.00813%0.127CC..Hα-helixtrans-50.8-41.8176.500000113.9I124 F125 A126 F160 E163 V164A122-I124 VanDerWaalsContact C-N 3.28Å; A122-I124 PolarHBondContact O-N 3.43Å; A122-F125 PolarHBondContact O-N 3.34Å; A122-A126 VanDerWaalsContact O-CB 3.3Å; A122-A126 WeakPolarHBondContact O-CB 3.2Å; A122-A126 PolarHBondContact O-N 2.91Å; A122-F160 HydrophobicContact CB-CD2 4.33Å; A122-F160 HydrophobicContact CB-CE2 4.1Å; A122-E163 HydrophobicContact CB-CB 3.82Å; A122-V164 HydrophobicContact CB-CG2 3.9Å
123P86.6Confident89.1Confident57 Ų5725.5 Ų25.537%0.3715%0.147SC..Hα-helixtrans-61.9-33.1174.7-22.532.5000113.9A121 R127 E167A121-P123 VanDerWaalsContact C-CD 3.44Å; A121-P123 VanDerWaalsContact C-N 3.33Å; P123-R127 VanDerWaalsContact O-CB 3.27Å; P123-R127 WeakPolarHBondContact O-CB 3.3Å; P123-R127 PolarHBondContact O-N 3.44Å; P123-E167 HydrophobicContact CB-CG 4.11Å; P123-E167 WeakPolarHBondContact CB-OE2 3.48Å; P123-E167 HydrophobicContact CG-CG 3.86Å
124I88.4Confident88.6Confident16 Ų1629.1 Ų29.18%0.08217%0.172CC..Hα-helixtrans-74.9-45.3179.2-66.6170.5000109.8L65 K68 K69 V72 A121 A122 R127 F128L65-I124 HydrophobicContact CD1-CD1 4.09Å; K68-I124 HydrophobicContact CB-CD1 3.59Å; K69-I124 HydrophobicContact CB-CG2 4.5Å; K69-I124 HydrophobicContact CG-CD1 4.02Å; K69-I124 HydrophobicContact CG-CG1 4.08Å; K69-I124 HydrophobicContact CG-CG2 4.1Å; V72-I124 HydrophobicContact CB-CG2 4.14Å; V72-I124 HydrophobicContact CG1-CG2 4.28Å; V72-I124 HydrophobicContact CG2-CG2 4.31Å; A121-I124 HydrophobicContact CB-CB 4.34Å; A121-I124 HydrophobicContact CB-CD1 4.26Å; A121-I124 WeakPolarHBondContact O-CA 3.48Å; A121-I124 WeakPolarHBondContact O-CB 3.24Å; A121-I124 PolarHBondContact O-N 2.75Å; A122-I124 VanDerWaalsContact C-N 3.28Å; A122-I124 PolarHBondContact O-N 3.43Å; I124-R127 PolarHBondContact O-N 3.15Å; I124-F128 HydrophobicContact CG2-CD2 3.78Å; I124-F128 HydrophobicContact CG2-CE2 3.43Å; I124-F128 VanDerWaalsContact CG2-CE2 3.43Å; I124-F128 HydrophobicContact CG2-CZ 4.5Å; I124-F128 WeakPolarHBondContact O-CD2 3.19Å; I124-F128 PolarHBondContact O-N 3.11Å
125F91.3Very high88.3Confident1 Ų131.9 Ų31.90%0.00419%0.187CC..Hα-helixtrans-63.6-46.1177.2-179.7-102.1000111.7W76 L112 L113 V116 A121 A122 R127 F128 L129 V164W76-F125 HydrophobicContact CD2-CE2 4.43Å; W76-F125 HydrophobicContact CE3-CD2 4.01Å; W76-F125 HydrophobicContact CE3-CE2 4.06Å; W76-F125 AromaticContact CH2-CD2 3.58Å; W76-F125 HydrophobicContact CH2-CD2 3.58Å; W76-F125 HydrophobicContact CH2-CE1 4.44Å; W76-F125 AromaticContact CH2-CE2 3.18Å; W76-F125 HydrophobicContact CH2-CE2 3.18Å; W76-F125 HydrophobicContact CH2-CG 4.36Å; W76-F125 AromaticContact CH2-CZ 3.68Å; W76-F125 HydrophobicContact CH2-CZ 3.68Å; W76-F125 HydrophobicContact CZ2-CD2 4.42Å; W76-F125 AromaticContact CZ2-CE2 3.64Å; W76-F125 HydrophobicContact CZ2-CE2 3.64Å; W76-F125 HydrophobicContact CZ2-CZ 4.05Å; W76-F125 AromaticContact CZ3-CD2 3.33Å; W76-F125 HydrophobicContact CZ3-CD2 3.33Å; W76-F125 AromaticContact CZ3-CE2 3.42Å; W76-F125 HydrophobicContact CZ3-CE2 3.42Å; W76-F125 VanDerWaalsContact CZ3-CE2 3.42Å; W76-F125 HydrophobicContact CZ3-CG 4.17Å; W76-F125 HydrophobicContact CZ3-CZ 4.31Å; L112-F125 HydrophobicContact CD2-CE2 4.19Å; L112-F125 HydrophobicContact CG-CE2 4.49Å; L113-F125 HydrophobicContact CD2-CE1 4.2Å; L113-F125 HydrophobicContact CD2-CE2 3.93Å; L113-F125 HydrophobicContact CD2-CZ 3.58Å; V116-F125 HydrophobicContact CB-CB 4.47Å; V116-F125 HydrophobicContact CG1-CB 3.54Å; V116-F125 HydrophobicContact CG1-CG 4.03Å; V116-F125 HydrophobicContact CG2-CB 4.07Å; V116-F125 HydrophobicContact CG2-CD2 3.9Å; V116-F125 HydrophobicContact CG2-CG 4.23Å; A121-F125 PolarHBondContact O-N 3.06Å; A122-F125 PolarHBondContact O-N 3.34Å; F125-R127 PolarHBondContact O-N 2.7Å; F125-F128 PolarHBondContact O-N 2.82Å; F125-L129 HydrophobicContact CD1-CD1 4.15Å; F125-L129 HydrophobicContact CD1-CG 4.43Å; F125-L129 HydrophobicContact CE1-CD1 3.83Å; F125-L129 HydrophobicContact CE1-CD2 4.48Å; F125-L129 HydrophobicContact CE1-CG 4.15Å; F125-L129 HydrophobicContact CZ-CD2 4.41Å; F125-L129 HydrophobicContact CZ-CG 4.47Å; F125-L129 PolarHBondContact O-N 3.26Å; F125-V164 HydrophobicContact CD1-CG1 3.96Å; F125-V164 HydrophobicContact CD1-CG2 3.93Å; F125-V164 HydrophobicContact CE1-CG1 4.08Å; F125-V164 HydrophobicContact CE1-CG2 4.45Å
126A90.1Very high88.1Confident0 Ų035.9 Ų35.90%020%0.202CC..Hα-helixtrans-57.5-46.317200000111.6A122 F128 L129 L130 E167 L168A122-A126 VanDerWaalsContact O-CB 3.3Å; A122-A126 WeakPolarHBondContact O-CB 3.2Å; A122-A126 PolarHBondContact O-N 2.91Å; A126-F128 VanDerWaalsContact C-N 3.28Å; A126-F128 PolarHBondContact O-N 2.76Å; A126-L129 WeakPolarHBondContact O-CB 3.22Å; A126-L129 PolarHBondContact O-N 3.04Å; A126-L130 VanDerWaalsContact O-CG 3.29Å; A126-L130 WeakPolarHBondContact O-CG 3.35Å; A126-L130 PolarHBondContact O-N 2.68Å; A126-E167 HydrophobicContact CB-CB 3.6Å; A126-L168 HydrophobicContact CB-CD2 4.08Å; A126-L168 HydrophobicContact CB-CG 4.04Å
127R88.6Confident88Confident87 Ų8736.2 Ų36.233%0.32820%0.203SC..Hα-helixtrans-62-31.7177.1-173.4169.3176.9159.2-5.9113.5P123 I124 F125 E184P123-R127 VanDerWaalsContact O-CB 3.27Å; P123-R127 WeakPolarHBondContact O-CB 3.3Å; P123-R127 PolarHBondContact O-N 3.44Å; I124-R127 PolarHBondContact O-N 3.15Å; F125-R127 PolarHBondContact O-N 2.7Å; R127-E184 WeakPolarHBondContact CD-OE1 3.33Å; R127-E184 HydrophobicContact CG-CG 4.3Å; R127-E184 IonicContact CZ-OE1 3.67Å; R127-E184 IonicContact NE-OE1 2.76Å; R127-E184 PolarHBondContact NE-OE1 3.17Å; R127-E184 IonicContact NH1-OE1 3.36Å; R127-E184 IonicContact NH2-OE1 3.84Å; R127-E184 PolarHBondContact NH2-OE1 3.44Å
128F89.7Confident87.9Confident2 Ų234.1 Ų34.11%0.00920%0.195CC..Hα-helixtrans-77.7-36.4173.4-73.1-56.1000113.3V72 C73 W76 I124 F125 A126 L130 L131 I183 E184 F187V72-F128 HydrophobicContact CB-CD2 4.49Å; V72-F128 HydrophobicContact CB-CE2 4.25Å; V72-F128 HydrophobicContact CG1-CD2 3.86Å; V72-F128 HydrophobicContact CG1-CE2 4.12Å; C73-F128 HydrophobicContact CB-CE1 4.13Å; C73-F128 HydrophobicContact CB-CE2 4.07Å; C73-F128 HydrophobicContact CB-CZ 3.64Å; W76-F128 HydrophobicContact CE3-CB 3.95Å; W76-F128 HydrophobicContact CZ3-CB 3.57Å; I124-F128 HydrophobicContact CG2-CD2 3.78Å; I124-F128 HydrophobicContact CG2-CE2 3.43Å; I124-F128 VanDerWaalsContact CG2-CE2 3.43Å; I124-F128 HydrophobicContact CG2-CZ 4.5Å; I124-F128 WeakPolarHBondContact O-CD2 3.19Å; I124-F128 PolarHBondContact O-N 3.11Å; F125-F128 PolarHBondContact O-N 2.82Å; A126-F128 VanDerWaalsContact C-N 3.28Å; A126-F128 PolarHBondContact O-N 2.76Å; F128-L130 PolarHBondContact O-N 2.93Å; F128-L131 HydrophobicContact CD1-CD1 4.04Å; F128-L131 PolarHBondContact O-N 2.96Å; F128-L131 VanDerWaalsContact O-N 3.14Å; F128-I183 HydrophobicContact CE1-CG2 4.38Å; F128-I183 HydrophobicContact CZ-CG2 4.03Å; F128-E184 HydrophobicContact CE1-CG 4.23Å; F128-F187 HydrophobicContact CB-CD1 4.48Å; F128-F187 HydrophobicContact CB-CE1 4.14Å; F128-F187 HydrophobicContact CB-CZ 4.16Å; F128-F187 HydrophobicContact CD1-CB 3.85Å; F128-F187 AromaticContact CD1-CD1 3.8Å; F128-F187 HydrophobicContact CD1-CD1 3.8Å; F128-F187 AromaticContact CD1-CD2 3.88Å; F128-F187 HydrophobicContact CD1-CD2 3.88Å; F128-F187 HydrophobicContact CD1-CE1 4.28Å; F128-F187 HydrophobicContact CD1-CE2 4.37Å; F128-F187 AromaticContact CD1-CG 3.57Å; F128-F187 HydrophobicContact CD1-CG 3.57Å; F128-F187 HydrophobicContact CE1-CB 3.78Å; F128-F187 HydrophobicContact CE1-CD2 4.23Å; F128-F187 AromaticContact CE1-CG 3.98Å; F128-F187 HydrophobicContact CE1-CG 3.98Å; F128-F187 HydrophobicContact CG-CD2 4.44Å; F128-F187 HydrophobicContact CG-CG 4.45Å
129L90.3Very high87.9Confident0 Ų034.5 Ų34.50%019%0.192CC..Hα-helixtrans-52.1-40.8171-78.3175.7000111W76 F125 A126 L131 L132 I137 E140 L141 V164 L168W76-L129 HydrophobicContact CH2-CD2 3.54Å; W76-L129 HydrophobicContact CH2-CG 3.78Å; W76-L129 HydrophobicContact CZ2-CD2 3.89Å; F125-L129 HydrophobicContact CD1-CD1 4.15Å; F125-L129 HydrophobicContact CD1-CG 4.43Å; F125-L129 HydrophobicContact CE1-CD1 3.83Å; F125-L129 HydrophobicContact CE1-CD2 4.48Å; F125-L129 HydrophobicContact CE1-CG 4.15Å; F125-L129 HydrophobicContact CZ-CD2 4.41Å; F125-L129 HydrophobicContact CZ-CG 4.47Å; F125-L129 PolarHBondContact O-N 3.26Å; A126-L129 WeakPolarHBondContact O-CB 3.22Å; A126-L129 PolarHBondContact O-N 3.04Å; L129-L131 PolarHBondContact O-N 2.88Å; L129-L131 VanDerWaalsContact O-N 3.14Å; L129-L132 HydrophobicContact CD2-CD1 4.44Å; L129-L132 VanDerWaalsContact O-CB 3.28Å; L129-L132 WeakPolarHBondContact O-CB 3.36Å; L129-L132 WeakPolarHBondContact O-CG 3.49Å; L129-L132 PolarHBondContact O-N 2.91Å; L129-I137 WeakPolarHBondContact O-CD1 3.29Å; L129-I137 VanDerWaalsContact O-CG1 3.31Å; L129-I137 WeakPolarHBondContact O-CG1 3.27Å; L129-E140 HydrophobicContact CD2-CB 3.64Å; L129-E140 HydrophobicContact CD2-CG 4.3Å; L129-L141 HydrophobicContact CD1-CD2 4.17Å; L129-V164 HydrophobicContact CD1-CG1 4.07Å; L129-L168 HydrophobicContact CB-CD2 3.95Å; L129-L168 HydrophobicContact CD1-CD1 4.04Å; L129-L168 HydrophobicContact CD1-CD2 3.9Å; L129-L168 HydrophobicContact CD1-CG 4.36Å
130L88.3Confident88.2Confident37 Ų3733.9 Ų33.919%0.19419%0.188CC..THydrogen-bonded Turntrans-75.12.1-175-61.9177.3000115.3A126 F128 I137 L168 V171 R307 F308A126-L130 VanDerWaalsContact O-CG 3.29Å; A126-L130 WeakPolarHBondContact O-CG 3.35Å; A126-L130 PolarHBondContact O-N 2.68Å; F128-L130 PolarHBondContact O-N 2.93Å; L130-I137 HydrophobicContact CD2-CD1 4.2Å; L130-L168 HydrophobicContact CD1-CD2 4.08Å; L130-L168 HydrophobicContact CD2-CD2 3.54Å; L130-L168 HydrophobicContact CG-CD2 3.67Å; L130-V171 HydrophobicContact CD1-CB 3.57Å; L130-V171 HydrophobicContact CD1-CG1 3.63Å; L130-V171 HydrophobicContact CD1-CG2 4.26Å; L130-R307 VanDerWaalsContact CD2-NH2 3.3Å; L130-F308 HydrophobicContact CD2-CE1 4.45Å; L130-F308 HydrophobicContact CD2-CZ 3.73Å
131L87.4Confident88.5Confident45 Ų4530.5 Ų30.524%0.23616%0.16CC..THydrogen-bonded Turntrans-97.4-0.5169-56.2172.1000111.8F128 L129 E184 F187 A188F128-L131 HydrophobicContact CD1-CD1 4.04Å; F128-L131 PolarHBondContact O-N 2.96Å; F128-L131 VanDerWaalsContact O-N 3.14Å; L129-L131 PolarHBondContact O-N 2.88Å; L129-L131 VanDerWaalsContact O-N 3.14Å; L131-E184 HydrophobicContact CD1-CB 4.04Å; L131-E184 WeakPolarHBondContact CD1-O 3.33Å; L131-F187 HydrophobicContact CB-CD1 4.09Å; L131-F187 HydrophobicContact CB-CE1 4.35Å; L131-F187 HydrophobicContact CD1-CB 4.34Å; L131-F187 HydrophobicContact CD1-CD1 3.77Å; L131-F187 HydrophobicContact CD1-CG 4.46Å; L131-A188 HydrophobicContact CB-CB 4.27Å; L131-A188 HydrophobicContact CD1-CB 4.41Å; L131-A188 HydrophobicContact CD2-CB 4.45Å
132L88.2Confident88.6Confident14 Ų1431.7 Ų31.77%0.07317%0.172CC..SBendtrans-101.3152179.8-50.9179000111.3W76 L129 R136 I137 E140 F187 F191W76-L132 HydrophobicContact CZ2-CD1 4.34Å; L129-L132 HydrophobicContact CD2-CD1 4.44Å; L129-L132 VanDerWaalsContact O-CB 3.28Å; L129-L132 WeakPolarHBondContact O-CB 3.36Å; L129-L132 WeakPolarHBondContact O-CG 3.49Å; L129-L132 PolarHBondContact O-N 2.91Å; L132-R136 HydrophobicContact CB-CB 4.14Å; L132-I137 HydrophobicContact CB-CG1 4.13Å; L132-I137 WeakPolarHBondContact O-CD1 3.2Å; L132-E140 HydrophobicContact CD1-CG 4.37Å; L132-F187 HydrophobicContact CD2-CE1 3.87Å; L132-F187 HydrophobicContact CD2-CZ 4.33Å; L132-F187 HydrophobicContact CG-CE1 4.49Å; L132-F191 HydrophobicContact CD2-CB 4.41Å; L132-F191 HydrophobicContact CD2-CD1 3.78Å; L132-F191 HydrophobicContact CD2-CD2 3.6Å; L132-F191 HydrophobicContact CD2-CE1 3.97Å; L132-F191 HydrophobicContact CD2-CE2 3.77Å; L132-F191 HydrophobicContact CD2-CG 3.61Å; L132-F191 HydrophobicContact CD2-CZ 3.96Å
133P86.6Confident88.7Confident66 Ų6634.4 Ų34.443%0.42918%0.182SC..  trans-60.3151.8170.6-23.934.1000112.7D135 R136 I137 F191P133-D135 VanDerWaalsContact C-N 3.33Å; P133-D135 PolarHBondContact O-N 3.2Å; P133-R136 WeakPolarHBondContact O-CA 3.35Å; P133-R136 WeakPolarHBondContact O-CB 3.48Å; P133-R136 PolarHBondContact O-N 3.33Å; P133-I137 PolarHBondContact O-N 2.94Å; P133-F191 VanDerWaalsContact CD-CE1 3.45Å; P133-F191 HydrophobicContact CG-CE1 4.19Å
134P82.8Confident89Confident81 Ų8131.7 Ų31.753%0.52617%0.165SC..Hα-helixtrans-51.5-44.1-176.7-29.636.1000114.7R136 I137 A138 I221P134-R136 PolarHBondContact O-N 2.91Å; P134-I137 WeakPolarHBondContact O-CB 3.5Å; P134-I137 PolarHBondContact O-N 3.42Å; P134-A138 PolarHBondContact O-N 3.47Å; P134-I221 HydrophobicContact CB-CD1 4.2Å
135D84.4Confident89.1Confident70 Ų7031.9 Ų31.937%0.37417%0.167SC..Hα-helixtrans-58.5-33.7177.7-64.2-5.5000112.4P133 M139 S216P133-D135 VanDerWaalsContact C-N 3.33Å; P133-D135 PolarHBondContact O-N 3.2Å; D135-M139 WeakPolarHBondContact O-CB 3.27Å; D135-M139 PolarHBondContact O-N 2.93Å; D135-S216 PolarHBondContact OD2-OG 3.33Å; D135-S216 VanDerWaalsContact OD2-OG 3.05Å
136R88.1Confident89.1Confident84 Ų8438.6 Ų38.632%0.31720%0.198SC..Hα-helixtrans-80.5-33.2175.2-75.4-67.8-158.5155.711.5112.5E83 L132 P133 P134 M139 E140 F191E83-R136 IonicContact OE2-NH1 3.93Å; E83-R136 PolarHBondContact OE2-NH1 3.25Å; E83-R136 VanDerWaalsContact OE2-NH1 3.1Å; L132-R136 HydrophobicContact CB-CB 4.14Å; P133-R136 WeakPolarHBondContact O-CA 3.35Å; P133-R136 WeakPolarHBondContact O-CB 3.48Å; P133-R136 PolarHBondContact O-N 3.33Å; P134-R136 PolarHBondContact O-N 2.91Å; R136-M139 VanDerWaalsContact NH1-CE 3.31Å; R136-M139 PolarHBondContact NH1-SD 3.29Å; R136-M139 VanDerWaalsContact NH1-SD 3.41Å; R136-M139 PolarHBondContact O-N 2.79Å; R136-E140 WeakPolarHBondContact O-CG 3.48Å; R136-E140 PolarHBondContact O-N 3.3Å; R136-F191 HydrophobicContact CG-CZ 4.2Å
137I89.8Confident89.1Confident7 Ų739 Ų394%0.03620%0.2CC..Hα-helixtrans-61.3-47.6171.1-60176000109.8L129 L130 L132 P133 P134 M139 E140 L141 I221 F308L129-I137 WeakPolarHBondContact O-CD1 3.29Å; L129-I137 VanDerWaalsContact O-CG1 3.31Å; L129-I137 WeakPolarHBondContact O-CG1 3.27Å; L130-I137 HydrophobicContact CD2-CD1 4.2Å; L132-I137 HydrophobicContact CB-CG1 4.13Å; L132-I137 WeakPolarHBondContact O-CD1 3.2Å; P133-I137 PolarHBondContact O-N 2.94Å; P134-I137 WeakPolarHBondContact O-CB 3.5Å; P134-I137 PolarHBondContact O-N 3.42Å; I137-M139 VanDerWaalsContact C-N 3.32Å; I137-M139 PolarHBondContact O-N 2.66Å; I137-E140 PolarHBondContact O-N 2.7Å; I137-L141 HydrophobicContact CG2-CD1 3.85Å; I137-L141 HydrophobicContact CG2-CG 4.32Å; I137-L141 WeakPolarHBondContact O-CB 3.25Å; I137-L141 WeakPolarHBondContact O-CG 3.42Å; I137-L141 PolarHBondContact O-N 2.67Å; I137-I221 HydrophobicContact CB-CD1 3.89Å; I137-I221 HydrophobicContact CD1-CD1 4.46Å; I137-I221 HydrophobicContact CG2-CD1 3.83Å; I137-I221 HydrophobicContact CG2-CG1 4.41Å; I137-F308 HydrophobicContact CD1-CE1 4.28Å
138A88.3Confident89.2Confident7 Ų734.9 Ų34.96%0.05818%0.184CC..Hα-helixtrans-59.6-41.7177.100000112.1P134 L141 G142 T219 I221 V224P134-A138 PolarHBondContact O-N 3.47Å; A138-L141 PolarHBondContact O-N 3.11Å; A138-G142 PolarHBondContact O-N 3.39Å; A138-T219 HydrophobicContact CB-CG2 3.7Å; A138-I221 HydrophobicContact CB-CG1 4.24Å; A138-V224 HydrophobicContact CB-CG2 4.4Å
139M89.3Confident89Confident60 Ų6040.9 Ų40.930%0.29621%0.207SC..Hα-helixtrans-63.2-44.6176-171.6-155.97000112.9D135 R136 I137 G142 R143D135-M139 WeakPolarHBondContact O-CB 3.27Å; D135-M139 PolarHBondContact O-N 2.93Å; R136-M139 VanDerWaalsContact NH1-CE 3.31Å; R136-M139 PolarHBondContact NH1-SD 3.29Å; R136-M139 VanDerWaalsContact NH1-SD 3.41Å; R136-M139 PolarHBondContact O-N 2.79Å; I137-M139 VanDerWaalsContact C-N 3.32Å; I137-M139 PolarHBondContact O-N 2.66Å; M139-G142 PolarHBondContact O-N 3.19Å; M139-R143 VanDerWaalsContact CE-CZ 3.49Å; M139-R143 WeakPolarHBondContact O-CG 3.42Å; M139-R143 PolarHBondContact O-N 2.9Å
140E91.9Very high88.9Confident5 Ų542.8 Ų42.82%0.02322%0.22CC..Hα-helixtrans-70.7-33.4177.9-69-66.1127.700112.5W76 H109 L129 L132 R136 I137 G142 R143 L144W76-E140 HydrophobicContact CZ2-CB 4.46Å; W76-E140 HydrophobicContact CZ2-CG 4.02Å; W76-E140 WeakPolarHBondContact CZ2-OE2 3.25Å; W76-E140 PolarHBondContact NE1-OE2 2.96Å; H109-E140 IonicContact CD2-OE2 3.61Å; L129-E140 HydrophobicContact CD2-CB 3.64Å; L129-E140 HydrophobicContact CD2-CG 4.3Å; L132-E140 HydrophobicContact CD1-CG 4.37Å; R136-E140 WeakPolarHBondContact O-CG 3.48Å; R136-E140 PolarHBondContact O-N 3.3Å; I137-E140 PolarHBondContact O-N 2.7Å; E140-G142 VanDerWaalsContact C-N 3.35Å; E140-R143 WeakPolarHBondContact O-CB 3.5Å; E140-R143 PolarHBondContact O-N 3.23Å; E140-R143 WeakPolarHBondContact OE1-CD 3.15Å; E140-R143 IonicContact OE1-CZ 2.66Å; E140-R143 IonicContact OE1-NE 3.55Å; E140-R143 IonicContact OE1-NH1 3.19Å; E140-R143 PolarHBondContact OE1-NH1 2.79Å; E140-L144 PolarHBondContact O-N 3.24Å
141L92Very high88.6Confident1 Ų147.4 Ų47.41%0.00525%0.245CC..Hα-helixtrans-68.6-32.7170.9-70.8174.4000112.3L129 I137 A138 L144 T145 V164 L168 I221 V224 L225L129-L141 HydrophobicContact CD1-CD2 4.17Å; I137-L141 HydrophobicContact CG2-CD1 3.85Å; I137-L141 HydrophobicContact CG2-CG 4.32Å; I137-L141 WeakPolarHBondContact O-CB 3.25Å; I137-L141 WeakPolarHBondContact O-CG 3.42Å; I137-L141 PolarHBondContact O-N 2.67Å; A138-L141 PolarHBondContact O-N 3.11Å; L141-L144 HydrophobicContact CD2-CD2 4.17Å; L141-L144 PolarHBondContact O-N 2.73Å; L141-T145 WeakPolarHBondContact O-CB 3.5Å; L141-T145 PolarHBondContact O-N 3.11Å; L141-T145 PolarHBondContact O-OG1 2.63Å; L141-V164 HydrophobicContact CD2-CG1 4.37Å; L141-L168 HydrophobicContact CD1-CD1 4.34Å; L141-L168 HydrophobicContact CD2-CD1 4.14Å; L141-I221 HydrophobicContact CD1-CG2 3.82Å; L141-V224 HydrophobicContact CB-CG1 4.12Å; L141-L225 HydrophobicContact CD1-CD1 4.35Å; L141-L225 HydrophobicContact CD1-CD2 4.11Å; L141-L225 HydrophobicContact CD1-CG 4.23Å; L141-L225 HydrophobicContact CD2-CD2 4.19Å
142G90.3Very high88.5Confident24 Ų2448.6 Ų48.625%0.24726%0.255CS..Hα-helixtrans-60.9-46.116800000112.1A138 M139 E140 L144 T145 E146A138-G142 PolarHBondContact O-N 3.39Å; M139-G142 PolarHBondContact O-N 3.19Å; E140-G142 VanDerWaalsContact C-N 3.35Å; G142-L144 VanDerWaalsContact C-N 3.35Å; G142-L144 PolarHBondContact O-N 3.24Å; G142-T145 WeakPolarHBondContact O-CB 3.43Å; G142-T145 PolarHBondContact O-N 3.36Å; G142-T145 VanDerWaalsContact O-N 3.11Å; G142-E146 PolarHBondContact O-N 2.71Å
143R90.8Very high88.4Confident58 Ų5849.9 Ų49.922%0.21927%0.268CS..Hα-helixtrans-61.9-39.5175.4-69.1164.3173.1-160.7-13.7112.7E83 H109 M139 E140 H147E83-R143 IonicContact OE1-CZ 2.86Å; E83-R143 IonicContact OE1-NH1 2.62Å; E83-R143 PolarHBondContact OE1-NH1 3.44Å; E83-R143 IonicContact OE1-NH2 2.79Å; E83-R143 PolarHBondContact OE1-NH2 3.42Å; E83-R143 IonicContact OE2-NH1 2.7Å; E83-R143 IonicContact OE2-NH2 3.94Å; H109-R143 PolarHBondContact CE1-NH1 3.2Å; H109-R143 PolarHBondContact NE2-NH1 2.91Å; M139-R143 VanDerWaalsContact CE-CZ 3.49Å; M139-R143 WeakPolarHBondContact O-CG 3.42Å; M139-R143 PolarHBondContact O-N 2.9Å; E140-R143 WeakPolarHBondContact O-CB 3.5Å; E140-R143 PolarHBondContact O-N 3.23Å; E140-R143 WeakPolarHBondContact OE1-CD 3.15Å; E140-R143 IonicContact OE1-CZ 2.66Å; E140-R143 IonicContact OE1-NE 3.55Å; E140-R143 IonicContact OE1-NH1 3.19Å; E140-R143 PolarHBondContact OE1-NH1 2.79Å; R143-H147 VanDerWaalsContact O-CB 3.32Å; R143-H147 WeakPolarHBondContact O-CB 3.37Å; R143-H147 PolarHBondContact O-N 3.48Å
144L92.9Very high88.3Confident0 Ų048 Ų480%026%0.26CS..Hα-helixtrans-62-43.3171.7176.461.6000111.5L113 E140 L141 G142 H147 V148 F160 F161 V164L113-L144 HydrophobicContact CD1-CD1 4.3Å; L113-L144 HydrophobicContact CD2-CD1 4.14Å; E140-L144 PolarHBondContact O-N 3.24Å; L141-L144 HydrophobicContact CD2-CD2 4.17Å; L141-L144 PolarHBondContact O-N 2.73Å; G142-L144 VanDerWaalsContact C-N 3.35Å; G142-L144 PolarHBondContact O-N 3.24Å; L144-H147 PolarHBondContact O-N 3.18Å; L144-V148 HydrophobicContact CD1-CG2 4.12Å; L144-V148 HydrophobicContact CG-CG2 4.48Å; L144-V148 VanDerWaalsContact O-CG2 3.24Å; L144-V148 WeakPolarHBondContact O-CG2 3.46Å; L144-V148 PolarHBondContact O-N 2.91Å; L144-F160 HydrophobicContact CD1-CD1 4.02Å; L144-F160 HydrophobicContact CD1-CE1 3.58Å; L144-F160 HydrophobicContact CD1-CZ 4.38Å; L144-F161 HydrophobicContact CD2-CD2 3.97Å; L144-F161 HydrophobicContact CG-CD2 4.17Å; L144-V164 HydrophobicContact CD2-CB 4.09Å; L144-V164 HydrophobicContact CD2-CG1 3.92Å; L144-V164 HydrophobicContact CD2-CG2 4.38Å
145T91.3Very high88.6Confident20 Ų2046.2 Ų46.212%0.12325%0.245CC..Hα-helixtrans-61.6-45.6178.2-60.20000112L141 G142 R149 A228 M232L141-T145 WeakPolarHBondContact O-CB 3.5Å; L141-T145 PolarHBondContact O-N 3.11Å; L141-T145 PolarHBondContact O-OG1 2.63Å; G142-T145 WeakPolarHBondContact O-CB 3.43Å; G142-T145 PolarHBondContact O-N 3.36Å; G142-T145 VanDerWaalsContact O-N 3.11Å; T145-R149 WeakPolarHBondContact O-CG 3.42Å; T145-R149 PolarHBondContact O-N 3.08Å; T145-A228 HydrophobicContact CG2-CB 3.59Å; T145-A228 VanDerWaalsContact OG1-CB 3.3Å; T145-A228 WeakPolarHBondContact OG1-CB 3.45Å; T145-M232 HydrophobicContact CG2-CE 3.83Å
146E90.2Very high88.7Confident143 Ų14348.2 Ų48.267%0.66825%0.252SS*.Hα-helixtrans-62.8-42.7174.2-70.4178.5167.200111.9G142 R149 S150G142-E146 PolarHBondContact O-N 2.71Å; E146-R149 PolarHBondContact O-N 2.93Å; E146-S150 PolarHBondContact O-N 3.43Å
147H90.8Very high88.8Confident9 Ų944.4 Ų44.44%0.04224%0.238CC..Hα-helixtrans-64.8-43.9179178.582.8000112.7K33 L113 E114 R143 L144 R149 S150K33-H147 WeakPolarHBondContact CD-O 3.49Å; K33-H147 PolarHBondContact NZ-O 3.43Å; K33-H147 VanDerWaalsContact NZ-O 3.15Å; L113-H147 HydrophobicContact CD1-CB 3.48Å; L113-H147 VanDerWaalsContact CD1-CB 3.48Å; E114-H147 IonicContact OE1-CD2 2.67Å; E114-H147 IonicContact OE1-CE1 3.31Å; E114-H147 PolarHBondContact OE1-CE1 3.46Å; E114-H147 IonicContact OE1-NE2 3.35Å; E114-H147 PolarHBondContact OE1-NE2 3.18Å; R143-H147 VanDerWaalsContact O-CB 3.32Å; R143-H147 WeakPolarHBondContact O-CB 3.37Å; R143-H147 PolarHBondContact O-N 3.48Å; L144-H147 PolarHBondContact O-N 3.18Å; H147-R149 VanDerWaalsContact C-N 3.31Å; H147-R149 PolarHBondContact O-N 2.88Å; H147-S150 WeakPolarHBondContact O-CB 3.37Å; H147-S150 PolarHBondContact O-N 2.76Å; H147-S150 VanDerWaalsContact O-N 3.1Å; H147-S150 PolarHBondContact O-OG 2.99Å
148V89.2Confident88.8Confident0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-58.4-44.4175.5166.60000110.8K33 L144 S150 A153 D157 F161 M232K33-V148 PolarHBondContact NZ-O 3.47Å; L144-V148 HydrophobicContact CD1-CG2 4.12Å; L144-V148 HydrophobicContact CG-CG2 4.48Å; L144-V148 VanDerWaalsContact O-CG2 3.24Å; L144-V148 WeakPolarHBondContact O-CG2 3.46Å; L144-V148 PolarHBondContact O-N 2.91Å; V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 3.49Å; V148-A153 WeakPolarHBondContact O-CB 3.48Å; V148-D157 HydrophobicContact CB-CB 4.14Å; V148-D157 HydrophobicContact CG1-CB 3.69Å; V148-D157 HydrophobicContact CG2-CB 4.1Å; V148-F161 HydrophobicContact CG2-CB 4.18Å; V148-M232 HydrophobicContact CB-CE 3.82Å; V148-M232 HydrophobicContact CB-SD 4.28Å; V148-M232 HydrophobicContact CG1-CE 3.61Å; V148-M232 HydrophobicContact CG1-CG 4.09Å; V148-M232 HydrophobicContact CG1-SD 3.42Å; V148-M232 WeakPolarHBondContact CG1-SD 3.4Å; V148-M232 HydrophobicContact CG2-CE 4.44Å
149R87.3Confident89Confident128 Ų12846.3 Ų46.348%0.48324%0.244SC..Hα-helixtrans-74.2-9.8177.2-71.6167.159.186.1-13.7114.5T145 E146 H147 D231 M232T145-R149 WeakPolarHBondContact O-CG 3.42Å; T145-R149 PolarHBondContact O-N 3.08Å; E146-R149 PolarHBondContact O-N 2.93Å; H147-R149 VanDerWaalsContact C-N 3.31Å; H147-R149 PolarHBondContact O-N 2.88Å; R149-D231 IonicContact CZ-OD2 3.69Å; R149-D231 IonicContact NE-OD2 3.41Å; R149-D231 PolarHBondContact NH1-O 2.9Å; R149-D231 IonicContact NH1-OD2 3.15Å; R149-D231 IonicContact NH2-OD2 3.44Å; R149-M232 HydrophobicContact CG-CG 4.38Å
150S87.4Confident89.1Confident40 Ų4043.7 Ų43.728%0.2823%0.23SC..SBendtrans-80.3148.5179.775.70000112.9K33 E146 H147 V148 P152 A153K33-S150 WeakPolarHBondContact CD-O 3.4Å; K33-S150 WeakPolarHBondContact CD-OG 3.36Å; K33-S150 PolarHBondContact NZ-O 3.41Å; E146-S150 PolarHBondContact O-N 3.43Å; H147-S150 WeakPolarHBondContact O-CB 3.37Å; H147-S150 PolarHBondContact O-N 2.76Å; H147-S150 VanDerWaalsContact O-N 3.1Å; H147-S150 PolarHBondContact O-OG 2.99Å; V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 3.49Å; S150-P152 CarbonylContact O-C 3.1Å; S150-A153 PolarHBondContact O-N 3.28Å
151D82.1Confident89.2Confident133 Ų13343.5 Ų43.571%0.71123%0.23SC*.SBendtrans-72.7130.9-172.5-173.350.1000112.9A34A34-D151 PolarHBondContact N-O 3.41Å
152P85Confident89.2Confident70 Ų7043.4 Ų43.446%0.45523%0.229SC..SBendcis-75.8129.8-5.431.7-34.8000111.9K33 A34 S150K33-P152 WeakPolarHBondContact CE-O 3.48Å; K33-P152 PolarHBondContact NZ-O 3.1Å; A34-P152 VanDerWaalsContact CA-CD 3.48Å; S150-P152 CarbonylContact O-C 3.1Å
153A85.3Confident89.2Confident41 Ų4145.6 Ų45.634%0.33923%0.233SC..PPolyproline II helixtrans-95.1131.717100000109.8V148 S150 L235V148-A153 WeakPolarHBondContact O-CB 3.48Å; S150-A153 PolarHBondContact O-N 3.28Å; A153-L235 HydrophobicContact CB-CD1 4.06Å; A153-L235 HydrophobicContact CB-CD2 4.09Å
154G85.8Confident89.3Confident26 Ų2642.9 Ų42.927%0.26822%0.223SC..  trans-154174.4179.300000114.2E156 D157G154-E156 PolarHBondContact O-N 2.74Å; G154-D157 PolarHBondContact N-OD2 2.7Å; G154-D157 VanDerWaalsContact O-CB 3.29Å; G154-D157 WeakPolarHBondContact O-CB 3.31Å; G154-D157 PolarHBondContact O-N 3.07Å
155E88.1Confident89.3Confident44 Ų4442.9 Ų42.921%0.20622%0.223CC..Hα-helixtrans-58.7-31.9-174.8-175162.6-130.300113.6D157 V158 R159 A237 S238 V241E155-D157 PolarHBondContact O-N 3.04Å; E155-V158 PolarHBondContact O-N 3.3Å; E155-V158 VanDerWaalsContact O-N 3.11Å; E155-R159 PolarHBondContact O-N 3.21Å; E155-A237 PolarHBondContact OE1-N 3.25Å; E155-S238 WeakPolarHBondContact OE1-CB 3.31Å; E155-S238 PolarHBondContact OE1-N 3.09Å; E155-S238 PolarHBondContact OE1-OG 3.34Å; E155-S238 PolarHBondContact OE2-OG 3.35Å; E155-V241 HydrophobicContact CG-CB 4.14Å; E155-V241 HydrophobicContact CG-CG1 4.19Å; E155-V241 HydrophobicContact CG-CG2 3.82Å
156E86.9Confident89.3Confident112 Ų11242.7 Ų42.752%0.52322%0.22SC..Hα-helixtrans-61.5-26.8172.7-63.2-55.8139.100113.7G154 R159 F160G154-E156 PolarHBondContact O-N 2.74Å; E156-R159 IonicContact OE1-CZ 3.8Å; E156-R159 IonicContact OE1-NH1 3.93Å; E156-R159 PolarHBondContact OE1-NH1 3.16Å; E156-R159 IonicContact OE2-NH1 3.74Å; E156-R159 PolarHBondContact OE2-NH1 3.47Å; E156-F160 WeakPolarHBondContact O-CB 3.38Å; E156-F160 PolarHBondContact O-N 3.18Å
157D90.1Very high89.3Confident5 Ų537.3 Ų37.33%0.02720%0.195CC..Hα-helixtrans-76.2-37.3173.8-59.4-59.7000111.4K33 K117 V148 G154 E155 F160 F161K33-D157 VanDerWaalsContact CE-OD1 3.27Å; K33-D157 WeakPolarHBondContact CE-OD1 3.49Å; K33-D157 IonicContact NZ-OD1 2.78Å; K33-D157 PolarHBondContact NZ-OD1 2.9Å; K33-D157 IonicContact NZ-OD2 3.83Å; K33-D157 PolarHBondContact NZ-OD2 2.97Å; K117-D157 IonicContact NZ-OD1 3.13Å; K117-D157 PolarHBondContact NZ-OD1 3.2Å; V148-D157 HydrophobicContact CB-CB 4.14Å; V148-D157 HydrophobicContact CG1-CB 3.69Å; V148-D157 HydrophobicContact CG2-CB 4.1Å; G154-D157 PolarHBondContact N-OD2 2.7Å; G154-D157 VanDerWaalsContact O-CB 3.29Å; G154-D157 WeakPolarHBondContact O-CB 3.31Å; G154-D157 PolarHBondContact O-N 3.07Å; E155-D157 PolarHBondContact O-N 3.04Å; D157-F160 PolarHBondContact O-N 3.23Å; D157-F161 WeakPolarHBondContact O-CB 3.42Å; D157-F161 PolarHBondContact O-N 2.93Å
158V90.9Very high89.2Confident0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-67.9-41.8176-173.60000110.3E155 F160 F161 L162 L229 M232 L235 V236 V241E155-V158 PolarHBondContact O-N 3.3Å; E155-V158 VanDerWaalsContact O-N 3.11Å; V158-F160 PolarHBondContact O-N 2.7Å; V158-F161 WeakPolarHBondContact O-CB 3.48Å; V158-F161 PolarHBondContact O-N 3.17Å; V158-L162 HydrophobicContact CG1-CD1 4.08Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 VanDerWaalsContact O-CG 3.27Å; V158-L162 WeakPolarHBondContact O-CG 3.5Å; V158-L162 PolarHBondContact O-N 3.42Å; V158-L229 HydrophobicContact CG1-CD1 4.47Å; V158-M232 HydrophobicContact CG2-CB 4.31Å; V158-L235 HydrophobicContact CG2-CB 3.73Å; V158-L235 HydrophobicContact CG2-CD1 4.26Å; V158-V236 HydrophobicContact CG1-CG2 3.94Å; V158-V241 HydrophobicContact CG1-CG1 4.2Å
159R90.8Very high89.2Confident54 Ų5437.9 Ų37.920%0.20420%0.196CC..Hα-helixtrans-57.9-47.4172-173.8178.4-651110.4111.5E155 E156 F161 L162 E163 V241E155-R159 PolarHBondContact O-N 3.21Å; E156-R159 IonicContact OE1-CZ 3.8Å; E156-R159 IonicContact OE1-NH1 3.93Å; E156-R159 PolarHBondContact OE1-NH1 3.16Å; E156-R159 IonicContact OE2-NH1 3.74Å; E156-R159 PolarHBondContact OE2-NH1 3.47Å; R159-F161 VanDerWaalsContact C-N 3.34Å; R159-F161 PolarHBondContact O-N 3.12Å; R159-L162 PolarHBondContact O-N 3.03Å; R159-E163 WeakPolarHBondContact O-CG 3.37Å; R159-E163 PolarHBondContact O-N 3.32Å; R159-V241 VanDerWaalsContact NH2-CG2 3.25Å
160F92.1Very high89.1Confident4 Ų432.5 Ų32.52%0.01818%0.176CC..Hα-helixtrans-60.9-40176.7174.1-126.4000112.8L113 V116 K117 A122 L144 E156 D157 V158 E163 V164L113-F160 HydrophobicContact CB-CE1 4.48Å; V116-F160 HydrophobicContact CB-CE2 4.4Å; V116-F160 HydrophobicContact CB-CZ 4.09Å; V116-F160 HydrophobicContact CG1-CE2 3.64Å; V116-F160 HydrophobicContact CG1-CZ 3.7Å; K117-F160 HydrophobicContact CB-CD1 3.93Å; K117-F160 HydrophobicContact CB-CD2 4.03Å; K117-F160 HydrophobicContact CB-CE1 4.07Å; K117-F160 HydrophobicContact CB-CE2 4.2Å; K117-F160 HydrophobicContact CB-CG 3.91Å; K117-F160 HydrophobicContact CB-CZ 4.21Å; K117-F160 HydrophobicContact CD-CB 4.22Å; K117-F160 HydrophobicContact CD-CD1 4.09Å; K117-F160 HydrophobicContact CD-CG 4.22Å; K117-F160 HydrophobicContact CG-CB 4.09Å; K117-F160 HydrophobicContact CG-CD1 4.2Å; K117-F160 HydrophobicContact CG-CD2 4.35Å; K117-F160 HydrophobicContact CG-CG 3.94Å; A122-F160 HydrophobicContact CB-CD2 4.33Å; A122-F160 HydrophobicContact CB-CE2 4.1Å; L144-F160 HydrophobicContact CD1-CD1 4.02Å; L144-F160 HydrophobicContact CD1-CE1 3.58Å; L144-F160 HydrophobicContact CD1-CZ 4.38Å; E156-F160 WeakPolarHBondContact O-CB 3.38Å; E156-F160 PolarHBondContact O-N 3.18Å; D157-F160 PolarHBondContact O-N 3.23Å; V158-F160 PolarHBondContact O-N 2.7Å; F160-E163 PolarHBondContact O-N 3.11Å; F160-V164 HydrophobicContact CD2-CG2 4.13Å; F160-V164 HydrophobicContact CE2-CG2 3.61Å; F160-V164 HydrophobicContact CZ-CG2 3.97Å; F160-V164 WeakPolarHBondContact O-CG2 3.41Å; F160-V164 PolarHBondContact O-N 2.88Å
161F94.1Very high88.2Confident1 Ų132.6 Ų32.60%0.00418%0.175CC..Hα-helixtrans-61.7-44.6173.3172.4-97.8000112.4L144 V148 D157 V158 R159 V164 W165 L225 A228 L229 M232L144-F161 HydrophobicContact CD2-CD2 3.97Å; L144-F161 HydrophobicContact CG-CD2 4.17Å; V148-F161 HydrophobicContact CG2-CB 4.18Å; D157-F161 WeakPolarHBondContact O-CB 3.42Å; D157-F161 PolarHBondContact O-N 2.93Å; V158-F161 WeakPolarHBondContact O-CB 3.48Å; V158-F161 PolarHBondContact O-N 3.17Å; R159-F161 VanDerWaalsContact C-N 3.34Å; R159-F161 PolarHBondContact O-N 3.12Å; F161-V164 PolarHBondContact O-N 3.41Å; F161-W165 AromaticContact CE1-CE3 3.67Å; F161-W165 HydrophobicContact CE1-CE3 3.67Å; F161-W165 HydrophobicContact CE1-CZ3 4.06Å; F161-W165 HydrophobicContact CZ-CE3 4.12Å; F161-W165 WeakPolarHBondContact O-CB 3.46Å; F161-W165 PolarHBondContact O-N 2.97Å; F161-L225 HydrophobicContact CE2-CD2 3.79Å; F161-L225 HydrophobicContact CZ-CD2 3.64Å; F161-A228 HydrophobicContact CE1-CB 4.48Å; F161-A228 HydrophobicContact CE2-CB 3.85Å; F161-A228 HydrophobicContact CZ-CB 3.59Å; F161-L229 HydrophobicContact CE1-CB 4.29Å; F161-M232 HydrophobicContact CD1-SD 4.25Å; F161-M232 HydrophobicContact CD2-CE 4.33Å; F161-M232 HydrophobicContact CE2-CE 4.49Å; F161-M232 HydrophobicContact CG-CE 4.49Å; F161-M232 HydrophobicContact CG-SD 4.3Å
162L92.4Very high87.3Confident0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-67.6-35177.7-67.1167.1000112.8V158 R159 W165 W166 L229 V241 Q244 S245 V248V158-L162 HydrophobicContact CG1-CD1 4.08Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 VanDerWaalsContact O-CG 3.27Å; V158-L162 WeakPolarHBondContact O-CG 3.5Å; V158-L162 PolarHBondContact O-N 3.42Å; R159-L162 PolarHBondContact O-N 3.03Å; L162-W165 HydrophobicContact CD2-CE3 4.26Å; L162-W166 WeakPolarHBondContact O-CB 3.19Å; L162-W166 PolarHBondContact O-N 3.44Å; L162-L229 HydrophobicContact CD2-CD1 4.46Å; L162-V241 HydrophobicContact CD1-CG1 4.01Å; L162-Q244 HydrophobicContact CB-CG 4.25Å; L162-Q244 HydrophobicContact CD1-CB 4.27Å; L162-Q244 HydrophobicContact CD1-CG 4.08Å; L162-S245 WeakPolarHBondContact CD1-OG 3.3Å; L162-V248 HydrophobicContact CD2-CB 4.4Å; L162-V248 HydrophobicContact CD2-CG1 4.49Å
163E90.5Very high85.6Confident70 Ų7034.9 Ų34.933%0.32717%0.171SC..Hα-helixtrans-61.6-49.8170.4-76.1174.1-158.900111.1A122 R159 F160 W165 W166 E167A122-E163 HydrophobicContact CB-CB 3.82Å; R159-E163 WeakPolarHBondContact O-CG 3.37Å; R159-E163 PolarHBondContact O-N 3.32Å; F160-E163 PolarHBondContact O-N 3.11Å; E163-W165 PolarHBondContact O-N 3.41Å; E163-W166 PolarHBondContact O-N 2.96Å; E163-E167 WeakPolarHBondContact O-CB 3.39Å; E163-E167 VanDerWaalsContact O-CG 3.3Å; E163-E167 WeakPolarHBondContact O-CG 3.39Å; E163-E167 PolarHBondContact O-N 3.31Å
164V91.9Very high83.7Confident0 Ų039 Ų390%018%0.184CC..Hα-helixtrans-62.3-43.2178.21730000111.2A122 F125 L129 L141 L144 F160 F161 L168A122-V164 HydrophobicContact CB-CG2 3.9Å; F125-V164 HydrophobicContact CD1-CG1 3.96Å; F125-V164 HydrophobicContact CD1-CG2 3.93Å; F125-V164 HydrophobicContact CE1-CG1 4.08Å; F125-V164 HydrophobicContact CE1-CG2 4.45Å; L129-V164 HydrophobicContact CD1-CG1 4.07Å; L141-V164 HydrophobicContact CD2-CG1 4.37Å; L144-V164 HydrophobicContact CD2-CB 4.09Å; L144-V164 HydrophobicContact CD2-CG1 3.92Å; L144-V164 HydrophobicContact CD2-CG2 4.38Å; F160-V164 HydrophobicContact CD2-CG2 4.13Å; F160-V164 HydrophobicContact CE2-CG2 3.61Å; F160-V164 HydrophobicContact CZ-CG2 3.97Å; F160-V164 WeakPolarHBondContact O-CG2 3.41Å; F160-V164 PolarHBondContact O-N 2.88Å; F161-V164 PolarHBondContact O-N 3.41Å; V164-L168 HydrophobicContact CG1-CD1 4.24Å; V164-L168 WeakPolarHBondContact O-CD1 3.46Å; V164-L168 WeakPolarHBondContact O-CG 3.34Å; V164-L168 PolarHBondContact O-N 2.86Å
165W93Very high81.6Confident1 Ų143.9 Ų43.90%0.00420%0.203CC..Hα-helixtrans-57.8-50.8173.8-174.3-10.6000110.9F161 L162 E163 L168 W169 L222 L225 F226 L229 V248 A252F161-W165 AromaticContact CE1-CE3 3.67Å; F161-W165 HydrophobicContact CE1-CE3 3.67Å; F161-W165 HydrophobicContact CE1-CZ3 4.06Å; F161-W165 HydrophobicContact CZ-CE3 4.12Å; F161-W165 WeakPolarHBondContact O-CB 3.46Å; F161-W165 PolarHBondContact O-N 2.97Å; L162-W165 HydrophobicContact CD2-CE3 4.26Å; E163-W165 PolarHBondContact O-N 3.41Å; W165-L168 WeakPolarHBondContact O-CB 3.48Å; W165-L168 PolarHBondContact O-N 3.32Å; W165-W169 AromaticContact CD1-CE3 3.43Å; W165-W169 VanDerWaalsContact CD1-CE3 3.43Å; W165-W169 AromaticContact CD1-CZ3 3.42Å; W165-W169 VanDerWaalsContact CD1-CZ3 3.42Å; W165-W169 AromaticContact NE1-CE3 3.68Å; W165-W169 AromaticContact NE1-CH2 3.65Å; W165-W169 AromaticContact NE1-CZ3 3.42Å; W165-W169 PolarHBondContact O-N 2.69Å; W165-L222 HydrophobicContact CZ2-CD1 4.26Å; W165-L225 HydrophobicContact CB-CD2 4.29Å; W165-L225 HydrophobicContact CD2-CB 4.02Å; W165-L225 HydrophobicContact CD2-CD1 4.18Å; W165-L225 HydrophobicContact CD2-CD2 4.16Å; W165-L225 HydrophobicContact CD2-CG 4.35Å; W165-L225 HydrophobicContact CE3-CB 4.11Å; W165-L225 HydrophobicContact CE3-CD2 4.36Å; W165-L225 HydrophobicContact CG-CD1 4.05Å; W165-L225 HydrophobicContact CG-CD2 4.12Å; W165-L225 HydrophobicContact CH2-CB 4.09Å; W165-L225 HydrophobicContact CZ2-CB 3.98Å; W165-L225 HydrophobicContact CZ3-CB 4.14Å; W165-F226 AromaticContact CH2-CD1 3.74Å; W165-F226 HydrophobicContact CH2-CD1 3.74Å; W165-F226 AromaticContact CH2-CE1 3.86Å; W165-F226 HydrophobicContact CH2-CE1 3.86Å; W165-F226 HydrophobicContact CH2-CG 4.43Å; W165-F226 HydrophobicContact CZ2-CD1 4.31Å; W165-F226 HydrophobicContact CZ2-CE1 4.12Å; W165-L229 HydrophobicContact CH2-CD2 4.44Å; W165-L229 HydrophobicContact CZ3-CB 4.15Å; W165-L229 HydrophobicContact CZ3-CD2 3.93Å; W165-V248 HydrophobicContact CB-CG1 4.24Å; W165-V248 HydrophobicContact CD2-CG1 3.52Å; W165-V248 HydrophobicContact CE3-CG1 3.96Å; W165-V248 HydrophobicContact CG-CG1 3.65Å; W165-V248 HydrophobicContact CZ2-CG1 4.39Å; W165-A252 HydrophobicContact CZ2-CB 3.75Å
166W91.6Very high79.1Confident15 Ų1549.6 Ų49.66%0.05723%0.227CC..Hα-helixtrans-69-39.8-176.2-171-125.1000113.5L162 E163 L168 W169 K170 V248 D251 D298 A301 R349L162-W166 WeakPolarHBondContact O-CB 3.19Å; L162-W166 PolarHBondContact O-N 3.44Å; E163-W166 PolarHBondContact O-N 2.96Å; W166-L168 VanDerWaalsContact C-N 3.27Å; W166-L168 PolarHBondContact O-N 3.4Å; W166-W169 HydrophobicContact CE3-CB 3.79Å; W166-W169 HydrophobicContact CE3-CG 4.49Å; W166-W169 HydrophobicContact CZ3-CB 3.88Å; W166-W169 HydrophobicContact CZ3-CG 4.38Å; W166-W169 CarbonylContact O-C 3.49Å; W166-W169 WeakPolarHBondContact O-CA 3.42Å; W166-W169 PolarHBondContact O-N 3.4Å; W166-K170 PolarHBondContact O-N 3.37Å; W166-V248 HydrophobicContact CB-CG2 4.1Å; W166-V248 HydrophobicContact CG-CG2 4.4Å; W166-D251 HydrophobicContact CH2-CB 4.15Å; W166-D251 HydrophobicContact CZ3-CB 3.86Å; W166-D298 PolarHBondContact NE1-OD1 2.95Å; W166-A301 HydrophobicContact CH2-CB 3.55Å; W166-A301 HydrophobicContact CZ2-CB 3.68Å; W166-A301 HydrophobicContact CZ3-CB 4.23Å; W166-R349 VanDerWaalsContact CD1-NH1 3.33Å; W166-R349 VanDerWaalsContact CE2-CZ 3.48Å; W166-R349 VanDerWaalsContact CE2-NH1 3.28Å; W166-R349 VanDerWaalsContact CE2-NH2 3.28Å; W166-R349 VanDerWaalsContact CZ2-NH2 3.31Å
167E90.1Very high76.6Confident30 Ų3049.2 Ų49.214%0.1424%0.237CC..Hα-helixtrans-63.6-32.5174.7-72.6-62.6142.700112.4P123 A126 E163 K170 V171P123-E167 HydrophobicContact CB-CG 4.11Å; P123-E167 WeakPolarHBondContact CB-OE2 3.48Å; P123-E167 HydrophobicContact CG-CG 3.86Å; A126-E167 HydrophobicContact CB-CB 3.6Å; E163-E167 WeakPolarHBondContact O-CB 3.39Å; E163-E167 VanDerWaalsContact O-CG 3.3Å; E163-E167 WeakPolarHBondContact O-CG 3.39Å; E163-E167 PolarHBondContact O-N 3.31Å; E167-K170 PolarHBondContact O-N 3Å; E167-K170 WeakPolarHBondContact OE1-CD 3.3Å; E167-K170 VanDerWaalsContact OE1-CE 3.26Å; E167-K170 WeakPolarHBondContact OE1-CE 3.33Å; E167-K170 IonicContact OE1-NZ 3.66Å; E167-K170 PolarHBondContact OE1-NZ 3.27Å; E167-V171 WeakPolarHBondContact O-CG2 3.47Å; E167-V171 PolarHBondContact O-N 2.95Å
168L89.4Confident74Confident0 Ų056.9 Ų56.90%027%0.272CS..Hα-helixtrans-59.6-48.4168.1-70.3165000110.3A126 L129 L130 L141 V164 W165 W166 K170 V171 R307 F308A126-L168 HydrophobicContact CB-CD2 4.08Å; A126-L168 HydrophobicContact CB-CG 4.04Å; L129-L168 HydrophobicContact CB-CD2 3.95Å; L129-L168 HydrophobicContact CD1-CD1 4.04Å; L129-L168 HydrophobicContact CD1-CD2 3.9Å; L129-L168 HydrophobicContact CD1-CG 4.36Å; L130-L168 HydrophobicContact CD1-CD2 4.08Å; L130-L168 HydrophobicContact CD2-CD2 3.54Å; L130-L168 HydrophobicContact CG-CD2 3.67Å; L141-L168 HydrophobicContact CD1-CD1 4.34Å; L141-L168 HydrophobicContact CD2-CD1 4.14Å; V164-L168 HydrophobicContact CG1-CD1 4.24Å; V164-L168 WeakPolarHBondContact O-CD1 3.46Å; V164-L168 WeakPolarHBondContact O-CG 3.34Å; V164-L168 PolarHBondContact O-N 2.86Å; W165-L168 WeakPolarHBondContact O-CB 3.48Å; W165-L168 PolarHBondContact O-N 3.32Å; W166-L168 VanDerWaalsContact C-N 3.27Å; W166-L168 PolarHBondContact O-N 3.4Å; L168-K170 VanDerWaalsContact C-N 3.32Å; L168-K170 PolarHBondContact O-N 2.66Å; L168-V171 PolarHBondContact O-N 3.36Å; L168-R307 PolarHBondContact O-NH2 2.95Å; L168-F308 HydrophobicContact CB-CE2 4.15Å
169W87.7Confident71.3Confident21 Ų2164.2 Ų64.28%0.0832%0.318CS..Hα-helixtrans-64.9-28.4179-99.9-112.8000114W165 W166 L222 L225 A252 T255 S306 F308W165-W169 AromaticContact CD1-CE3 3.43Å; W165-W169 VanDerWaalsContact CD1-CE3 3.43Å; W165-W169 AromaticContact CD1-CZ3 3.42Å; W165-W169 VanDerWaalsContact CD1-CZ3 3.42Å; W165-W169 AromaticContact NE1-CE3 3.68Å; W165-W169 AromaticContact NE1-CH2 3.65Å; W165-W169 AromaticContact NE1-CZ3 3.42Å; W165-W169 PolarHBondContact O-N 2.69Å; W166-W169 HydrophobicContact CE3-CB 3.79Å; W166-W169 HydrophobicContact CE3-CG 4.49Å; W166-W169 HydrophobicContact CZ3-CB 3.88Å; W166-W169 HydrophobicContact CZ3-CG 4.38Å; W166-W169 CarbonylContact O-C 3.49Å; W166-W169 WeakPolarHBondContact O-CA 3.42Å; W166-W169 PolarHBondContact O-N 3.4Å; W169-L222 HydrophobicContact CH2-CD1 4Å; W169-L222 HydrophobicContact CZ2-CD1 4Å; W169-L225 HydrophobicContact CH2-CD1 3.95Å; W169-L225 HydrophobicContact CZ3-CD1 3.62Å; W169-A252 HydrophobicContact CZ2-CB 3.97Å; W169-T255 PolarHBondContact NE1-OG1 3.01Å; W169-S306 WeakPolarHBondContact CZ2-OG 3.44Å; W169-F308 AromaticContact CE3-CD2 3.95Å; W169-F308 HydrophobicContact CE3-CD2 3.95Å; W169-F308 HydrophobicContact CE3-CE2 4.13Å; W169-F308 HydrophobicContact CH2-CB 4.23Å; W169-F308 AromaticContact CH2-CD2 3.61Å; W169-F308 HydrophobicContact CH2-CD2 3.61Å; W169-F308 HydrophobicContact CH2-CE2 4.42Å; W169-F308 HydrophobicContact CH2-CG 4.38Å; W169-F308 HydrophobicContact CZ2-CD2 4.25Å; W169-F308 AromaticContact CZ3-CD2 3.43Å; W169-F308 HydrophobicContact CZ3-CD2 3.43Å; W169-F308 VanDerWaalsContact CZ3-CD2 3.43Å; W169-F308 AromaticContact CZ3-CE2 3.8Å; W169-F308 HydrophobicContact CZ3-CE2 3.8Å
170K85.4Confident69Low15 Ų1568.7 Ų68.77%0.06534%0.341CS..Hα-helixtrans-67.6-33.6175.7-72.5-173.6-173.9175.90115.3W166 E167 L168 R172 D294 D298 A301W166-K170 PolarHBondContact O-N 3.37Å; E167-K170 PolarHBondContact O-N 3Å; E167-K170 WeakPolarHBondContact OE1-CD 3.3Å; E167-K170 VanDerWaalsContact OE1-CE 3.26Å; E167-K170 WeakPolarHBondContact OE1-CE 3.33Å; E167-K170 IonicContact OE1-NZ 3.66Å; E167-K170 PolarHBondContact OE1-NZ 3.27Å; L168-K170 VanDerWaalsContact C-N 3.32Å; L168-K170 PolarHBondContact O-N 2.66Å; K170-R172 PolarHBondContact O-N 3.49Å; K170-D294 IonicContact NZ-OD1 2.85Å; K170-D294 PolarHBondContact NZ-OD1 3.16Å; K170-D294 IonicContact NZ-OD2 2.79Å; K170-D294 PolarHBondContact NZ-OD2 3.44Å; K170-D298 WeakPolarHBondContact CE-OD1 3.39Å; K170-D298 IonicContact NZ-OD1 3.79Å; K170-A301 HydrophobicContact CG-CB 4.28Å
171V68.9Low67.3Low42 Ų4276.5 Ų76.526%0.25538%0.377SS..  trans-81.8106.7-1651730000111.7L130 E167 L168 R307L130-V171 HydrophobicContact CD1-CB 3.57Å; L130-V171 HydrophobicContact CD1-CG1 3.63Å; L130-V171 HydrophobicContact CD1-CG2 4.26Å; E167-V171 WeakPolarHBondContact O-CG2 3.47Å; E167-V171 PolarHBondContact O-N 2.95Å; L168-V171 PolarHBondContact O-N 3.36Å; V171-R307 PolarHBondContact O-NH1 3.47Å
172R63.7Low66.6Low104 Ų10479.1 Ų79.139%0.39239%0.393SS..  trans-87.8170.3165.1-58.2-158.5-163.5-156.426.6112.4K170 E174 E262 S304K170-R172 PolarHBondContact O-N 3.49Å; R172-E174 VanDerWaalsContact C-N 3.27Å; R172-E174 PolarHBondContact O-N 3.02Å; R172-E262 IonicContact CZ-OE1 3.37Å; R172-E262 IonicContact CZ-OE2 3.73Å; R172-E262 IonicContact NH1-OE1 3.11Å; R172-E262 IonicContact NH1-OE2 3.23Å; R172-E262 PolarHBondContact NH1-OE2 2.72Å; R172-E262 IonicContact NH2-OE1 2.73Å; R172-E262 PolarHBondContact NH2-OE1 3.48Å; R172-E262 IonicContact NH2-OE2 2.64Å; R172-E262 PolarHBondContact NH2-OE2 2.7Å; R172-S304 PolarHBondContact NH1-OG 3.08Å; R172-S304 PolarHBondContact NH2-OG 2.99Å
173E49.8Very low66.2Low147 Ų14780.3 Ų80.369%0.68740%0.399SS*.  trans-69.465.7175.9-64.6-164153.600114.5L175 K176E173-L175 PolarHBondContact O-N 2.95Å; E173-K176 IonicContact OE2-NZ 2.71Å; E173-K176 PolarHBondContact OE2-NZ 3.22Å
174E44.6Very low65.9Low129 Ų12977.5 Ų77.560%0.60339%0.386SS*.  trans-73.532.2165.1-68178.4151.300112.2R172 K297R172-E174 VanDerWaalsContact C-N 3.27Å; R172-E174 PolarHBondContact O-N 3.02Å; E174-K297 IonicContact OE1-NZ 3.1Å; E174-K297 PolarHBondContact OE1-NZ 3.48Å; E174-K297 VanDerWaalsContact OE1-NZ 3.08Å; E174-K297 IonicContact OE2-NZ 3.49Å; E174-K297 PolarHBondContact OE2-NZ 3.06Å
175L41.5Very low65.5Low128 Ų12879.2 Ų79.267%0.6740%0.401SS*.  trans-95.914.4-174.9-143.481.7000113.6E173E173-L175 PolarHBondContact O-N 2.95Å
176K34.8Very low65.1Low164 Ų16481.1 Ų81.171%0.71341%0.41SS*.SBendtrans-120.933.7-166.5-75.3172.5177.2145.70115.4E173E173-K176 IonicContact OE2-NZ 2.71Å; E173-K176 PolarHBondContact OE2-NZ 3.22Å
177S35.2Very low65Low104 Ų10480.4 Ų80.473%0.72741%0.407SS*.SBendtrans-175.383.4154.857.10000114.8
178Q35.4Very low64.8Low165 Ų16580.4 Ų80.477%0.77141%0.412SS*.  trans-165.7130.3151-110.1146.14000110.7E180Q178-E180 VanDerWaalsContact C-N 3.26Å; Q178-E180 PolarHBondContact O-N 2.78Å
179T34.8Very low64.6Low155 Ų15585.2 Ų85.295%0.95144%0.438SS*.  trans-92.245.7-170.7-35.60000111.8
180E42.3Very low64.5Low147 Ų14785 Ų8569%0.68744%0.438SS*.SBendtrans-127.1145.2-177.2-64.2-170.616000111.3Q178 T182Q178-E180 VanDerWaalsContact C-N 3.26Å; Q178-E180 PolarHBondContact O-N 2.78Å; E180-T182 VanDerWaalsContact C-N 3.27Å; E180-T182 PolarHBondContact O-N 2.66Å
181E57Low64.5Low169 Ų16984.9 Ų84.979%0.7944%0.438SS*.  trans-73.678.8175.4-67.6-167.1136.300111.1
182T78.1Confident65.3Low55 Ų5585.5 Ų85.534%0.33745%0.447SS..  trans-63.8153.2174.856.60000112.2E180 E184 A185 M186E180-T182 VanDerWaalsContact C-N 3.27Å; E180-T182 PolarHBondContact O-N 2.66Å; T182-E184 PolarHBondContact O-N 3.24Å; T182-E184 VanDerWaalsContact O-N 3.17Å; T182-A185 WeakPolarHBondContact O-CB 2.99Å; T182-A185 PolarHBondContact O-N 2.69Å; T182-A185 PolarHBondContact OG1-N 3.12Å; T182-M186 WeakPolarHBondContact O-CG 3.45Å; T182-M186 PolarHBondContact O-N 3.38Å
183I83.6Confident66.2Low26 Ų2682 Ų8213%0.13343%0.434CS..Hα-helixtrans-58-32.7179-61.1177.5000111.1T66 K69 R70 C73 F97 F128 M186 F187T66-I183 HydrophobicContact CG2-CD1 4.1Å; K69-I183 HydrophobicContact CB-CD1 4.27Å; R70-I183 HydrophobicContact CB-CD1 4.1Å; C73-I183 HydrophobicContact CB-CG2 3.81Å; F97-I183 HydrophobicContact CZ-CG2 4.34Å; F128-I183 HydrophobicContact CE1-CG2 4.38Å; F128-I183 HydrophobicContact CZ-CG2 4.03Å; I183-M186 PolarHBondContact O-N 2.96Å; I183-F187 WeakPolarHBondContact O-CB 3.47Å; I183-F187 PolarHBondContact O-N 3.22Å
184E85.2Confident67.8Low10 Ų1076.3 Ų76.35%0.04741%0.408CS..Hα-helixtrans-61.5-48.7170.8-67.693145.200112.8K69 R127 F128 L131 T182 M186 F187 A188K69-E184 WeakPolarHBondContact CE-OE1 3.36Å; K69-E184 IonicContact NZ-OE1 2.76Å; K69-E184 PolarHBondContact NZ-OE1 3.02Å; K69-E184 IonicContact NZ-OE2 3.16Å; R127-E184 WeakPolarHBondContact CD-OE1 3.33Å; R127-E184 HydrophobicContact CG-CG 4.3Å; R127-E184 IonicContact CZ-OE1 3.67Å; R127-E184 IonicContact NE-OE1 2.76Å; R127-E184 PolarHBondContact NE-OE1 3.17Å; R127-E184 IonicContact NH1-OE1 3.36Å; R127-E184 IonicContact NH2-OE1 3.84Å; R127-E184 PolarHBondContact NH2-OE1 3.44Å; F128-E184 HydrophobicContact CE1-CG 4.23Å; L131-E184 HydrophobicContact CD1-CB 4.04Å; L131-E184 WeakPolarHBondContact CD1-O 3.33Å; T182-E184 PolarHBondContact O-N 3.24Å; T182-E184 VanDerWaalsContact O-N 3.17Å; E184-M186 VanDerWaalsContact C-N 3.31Å; E184-M186 PolarHBondContact O-N 3Å; E184-F187 PolarHBondContact O-N 3.38Å; E184-A188 PolarHBondContact O-N 3.28Å
185A82.8Confident69.3Low37 Ų3773.2 Ų73.231%0.30640%0.401SS..Hα-helixtrans-63-38.6175.200000111.9T182 A188 N189T182-A185 WeakPolarHBondContact O-CB 2.99Å; T182-A185 PolarHBondContact O-N 2.69Å; T182-A185 PolarHBondContact OG1-N 3.12Å; A185-A188 PolarHBondContact O-N 3.05Å; A185-N189 WeakPolarHBondContact O-CB 3.39Å; A185-N189 VanDerWaalsContact O-CG 3.23Å; A185-N189 PolarHBondContact O-N 3.27Å; A185-N189 PolarHBondContact O-ND2 2.94Å
186M85.8Confident70.6Confident41 Ų4170.4 Ų70.420%0.20239%0.392CS..Hα-helixtrans-60.7-46.4173.3-60.3170.681.300111.1P96 F97 T182 I183 E184 N189 Q190P96-M186 HydrophobicContact CB-CE 3.55Å; P96-M186 HydrophobicContact CG-CE 3.43Å; P96-M186 VanDerWaalsContact CG-CE 3.43Å; F97-M186 HydrophobicContact CE1-CE 4.03Å; F97-M186 HydrophobicContact CE2-CB 3.92Å; F97-M186 HydrophobicContact CE2-CE 4.05Å; F97-M186 HydrophobicContact CZ-CB 4.09Å; F97-M186 HydrophobicContact CZ-CE 3.58Å; F97-M186 HydrophobicContact CZ-SD 3.86Å; T182-M186 WeakPolarHBondContact O-CG 3.45Å; T182-M186 PolarHBondContact O-N 3.38Å; I183-M186 PolarHBondContact O-N 2.96Å; E184-M186 VanDerWaalsContact C-N 3.31Å; E184-M186 PolarHBondContact O-N 3Å; M186-N189 PolarHBondContact O-N 3.47Å; M186-Q190 WeakPolarHBondContact O-CG 3.47Å; M186-Q190 PolarHBondContact O-N 3.44Å
187F88.6Confident71.1Confident0 Ų071 Ų710%040%0.403CS..Hα-helixtrans-59.5-49.4177.6-178.1-89.7000112C73 W76 L77 L80 F128 L131 L132 I183 E184 N189 Q190 F191C73-F187 HydrophobicContact CB-CD2 4.44Å; W76-F187 HydrophobicContact CB-CE2 4.28Å; W76-F187 HydrophobicContact CD2-CE2 4.3Å; W76-F187 HydrophobicContact CD2-CZ 4.15Å; W76-F187 HydrophobicContact CE3-CE2 4.21Å; W76-F187 HydrophobicContact CE3-CZ 4.06Å; W76-F187 HydrophobicContact CG-CE2 4.34Å; L77-F187 HydrophobicContact CD1-CD2 4.06Å; L77-F187 HydrophobicContact CD2-CD2 3.81Å; L77-F187 HydrophobicContact CD2-CE2 3.93Å; L77-F187 HydrophobicContact CD2-CG 4.45Å; L77-F187 HydrophobicContact CG-CD2 3.65Å; L77-F187 HydrophobicContact CG-CE2 3.9Å; L80-F187 HydrophobicContact CD1-CE2 4.49Å; L80-F187 HydrophobicContact CD1-CZ 4.26Å; F128-F187 HydrophobicContact CB-CD1 4.48Å; F128-F187 HydrophobicContact CB-CE1 4.14Å; F128-F187 HydrophobicContact CB-CZ 4.16Å; F128-F187 HydrophobicContact CD1-CB 3.85Å; F128-F187 AromaticContact CD1-CD1 3.8Å; F128-F187 HydrophobicContact CD1-CD1 3.8Å; F128-F187 AromaticContact CD1-CD2 3.88Å; F128-F187 HydrophobicContact CD1-CD2 3.88Å; F128-F187 HydrophobicContact CD1-CE1 4.28Å; F128-F187 HydrophobicContact CD1-CE2 4.37Å; F128-F187 AromaticContact CD1-CG 3.57Å; F128-F187 HydrophobicContact CD1-CG 3.57Å; F128-F187 HydrophobicContact CE1-CB 3.78Å; F128-F187 HydrophobicContact CE1-CD2 4.23Å; F128-F187 AromaticContact CE1-CG 3.98Å; F128-F187 HydrophobicContact CE1-CG 3.98Å; F128-F187 HydrophobicContact CG-CD2 4.44Å; F128-F187 HydrophobicContact CG-CG 4.45Å; L131-F187 HydrophobicContact CB-CD1 4.09Å; L131-F187 HydrophobicContact CB-CE1 4.35Å; L131-F187 HydrophobicContact CD1-CB 4.34Å; L131-F187 HydrophobicContact CD1-CD1 3.77Å; L131-F187 HydrophobicContact CD1-CG 4.46Å; L132-F187 HydrophobicContact CD2-CE1 3.87Å; L132-F187 HydrophobicContact CD2-CZ 4.33Å; L132-F187 HydrophobicContact CG-CE1 4.49Å; I183-F187 WeakPolarHBondContact O-CB 3.47Å; I183-F187 PolarHBondContact O-N 3.22Å; E184-F187 PolarHBondContact O-N 3.38Å; F187-N189 PolarHBondContact O-N 3.02Å; F187-Q190 PolarHBondContact O-N 2.86Å; F187-F191 WeakPolarHBondContact O-CB 3.18Å; F187-F191 PolarHBondContact O-N 3.31Å
188A86.4Confident71.2Confident29 Ų2970.5 Ų70.524%0.2440%0.399CS..Hα-helixtrans-59.3-46178.300000112.3L131 E184 A185 Q190 F191 A192L131-A188 HydrophobicContact CB-CB 4.27Å; L131-A188 HydrophobicContact CD1-CB 4.41Å; L131-A188 HydrophobicContact CD2-CB 4.45Å; E184-A188 PolarHBondContact O-N 3.28Å; A185-A188 PolarHBondContact O-N 3.05Å; A188-Q190 PolarHBondContact O-N 2.86Å; A188-F191 PolarHBondContact O-N 3.34Å; A188-A192 WeakPolarHBondContact O-CB 3.5Å; A188-A192 PolarHBondContact O-N 2.8Å
189N84.6Confident71.5Confident102 Ų10268.4 Ų68.455%0.54540%0.4SS..Hα-helixtrans-64.1-39.2178.9-73.1-17.6000112.6A185 M186 F187 R193A185-N189 WeakPolarHBondContact O-CB 3.39Å; A185-N189 VanDerWaalsContact O-CG 3.23Å; A185-N189 PolarHBondContact O-N 3.27Å; A185-N189 PolarHBondContact O-ND2 2.94Å; M186-N189 PolarHBondContact O-N 3.47Å; F187-N189 PolarHBondContact O-N 3.02Å; N189-R193 PolarHBondContact O-N 3.21Å
190Q85.4Confident71.7Confident16 Ų1669.6 Ų69.68%0.07539%0.394CS..Hα-helixtrans-69.2-44.3176.1-64.7-64.1-6600111.4L77 E94 N95 P96 M186 F187 A188 A192 R193 L194L77-Q190 HydrophobicContact CD1-CB 3.97Å; L77-Q190 HydrophobicContact CD1-CG 4.17Å; L77-Q190 HydrophobicContact CD2-CB 3.85Å; E94-Q190 PolarHBondContact O-NE2 3.16Å; N95-Q190 VanDerWaalsContact CB-OE1 3.23Å; N95-Q190 PolarHBondContact OD1-OE1 3.06Å; P96-Q190 VanDerWaalsContact CD-CD 3.49Å; P96-Q190 VanDerWaalsContact CD-NE2 3.3Å; M186-Q190 WeakPolarHBondContact O-CG 3.47Å; M186-Q190 PolarHBondContact O-N 3.44Å; F187-Q190 PolarHBondContact O-N 2.86Å; A188-Q190 PolarHBondContact O-N 2.86Å; Q190-A192 VanDerWaalsContact C-N 3.31Å; Q190-A192 PolarHBondContact O-N 3.02Å; Q190-R193 VanDerWaalsContact NE2-NH1 3.14Å; Q190-R193 PolarHBondContact O-N 3.36Å; Q190-L194 WeakPolarHBondContact O-CG 3.49Å; Q190-L194 PolarHBondContact O-N 2.75Å
191F86.4Confident71.1Confident13 Ų1369.4 Ų69.46%0.05740%0.403CS..Hα-helixtrans-61.5-38.4175.8179-96.1000112.5L80 L132 P133 R136 F187 A188 L194 S195L80-F191 HydrophobicContact CD1-CD2 4.19Å; L80-F191 HydrophobicContact CD2-CE2 4.44Å; L132-F191 HydrophobicContact CD2-CB 4.41Å; L132-F191 HydrophobicContact CD2-CD1 3.78Å; L132-F191 HydrophobicContact CD2-CD2 3.6Å; L132-F191 HydrophobicContact CD2-CE1 3.97Å; L132-F191 HydrophobicContact CD2-CE2 3.77Å; L132-F191 HydrophobicContact CD2-CG 3.61Å; L132-F191 HydrophobicContact CD2-CZ 3.96Å; P133-F191 VanDerWaalsContact CD-CE1 3.45Å; P133-F191 HydrophobicContact CG-CE1 4.19Å; R136-F191 HydrophobicContact CG-CZ 4.2Å; F187-F191 WeakPolarHBondContact O-CB 3.18Å; F187-F191 PolarHBondContact O-N 3.31Å; A188-F191 PolarHBondContact O-N 3.34Å; F191-L194 PolarHBondContact O-N 2.7Å; F191-S195 WeakPolarHBondContact CE1-OG 3.3Å; F191-S195 VanDerWaalsContact CZ-OG 3.31Å; F191-S195 WeakPolarHBondContact CZ-OG 3.35Å; F191-S195 WeakPolarHBondContact O-CB 3.38Å; F191-S195 PolarHBondContact O-N 3.03Å; F191-S195 PolarHBondContact O-OG 3.25Å
192A84.8Confident70.1Confident55 Ų5565.7 Ų65.746%0.45540%0.402SS..Hα-helixtrans-61.7-43174.300000112.1A188 Q190 S195 S196A188-A192 WeakPolarHBondContact O-CB 3.5Å; A188-A192 PolarHBondContact O-N 2.8Å; Q190-A192 VanDerWaalsContact C-N 3.31Å; Q190-A192 PolarHBondContact O-N 3.02Å; A192-S195 PolarHBondContact O-N 3.41Å; A192-S196 WeakPolarHBondContact O-CB 2.96Å; A192-S196 PolarHBondContact O-N 3.11Å; A192-S196 VanDerWaalsContact O-N 3.12Å
193R83.8Confident68.3Low30 Ų3072.5 Ų72.511%0.11343%0.426CS..Hα-helixtrans-61.1-45172.7-175.5-171.466.9-115.7-7.8111.7E86 E94 N189 Q190 S195 S196E86-R193 IonicContact OE1-CZ 2.73Å; E86-R193 IonicContact OE1-NE 3.8Å; E86-R193 PolarHBondContact OE1-NE 3.33Å; E86-R193 IonicContact OE1-NH2 3.37Å; E86-R193 PolarHBondContact OE1-NH2 2.9Å; E86-R193 IonicContact OE2-NH2 3.16Å; E86-R193 PolarHBondContact OE2-NH2 3.47Å; E94-R193 PolarHBondContact O-NH1 2.88Å; E94-R193 WeakPolarHBondContact OE2-CD 3.33Å; N189-R193 PolarHBondContact O-N 3.21Å; Q190-R193 VanDerWaalsContact NE2-NH1 3.14Å; Q190-R193 PolarHBondContact O-N 3.36Å; R193-S195 PolarHBondContact O-N 3.25Å; R193-S196 PolarHBondContact O-N 2.89Å; R193-S196 PolarHBondContact O-OG 2.89Å
194L81.9Confident66Low28 Ų2882.9 Ų82.915%0.14746%0.464CS..Hα-helixtrans-64.3-19.4179.2-68.4175.5000113.2L80 A84 E86 Q190 F191L80-L194 HydrophobicContact CB-CD1 3.9Å; A84-L194 HydrophobicContact CB-CB 4.31Å; A84-L194 HydrophobicContact CB-CD2 4.01Å; E86-L194 HydrophobicContact CB-CD2 3.95Å; E86-L194 VanDerWaalsContact CD-CD2 3.42Å; E86-L194 HydrophobicContact CG-CD2 4.13Å; E86-L194 WeakPolarHBondContact OE1-CD2 3.26Å; Q190-L194 WeakPolarHBondContact O-CG 3.49Å; Q190-L194 PolarHBondContact O-N 2.75Å; F191-L194 PolarHBondContact O-N 2.7Å
195S77.3Confident63.2Low64 Ų6490.6 Ų90.645%0.44851%0.505SS..Hα-helixtrans-99.5-9.3177.9-54.10000113.7F191 A192 R193 D197F191-S195 WeakPolarHBondContact CE1-OG 3.3Å; F191-S195 VanDerWaalsContact CZ-OG 3.31Å; F191-S195 WeakPolarHBondContact CZ-OG 3.35Å; F191-S195 WeakPolarHBondContact O-CB 3.38Å; F191-S195 PolarHBondContact O-N 3.03Å; F191-S195 PolarHBondContact O-OG 3.25Å; A192-S195 PolarHBondContact O-N 3.41Å; R193-S195 PolarHBondContact O-N 3.25Å; S195-D197 PolarHBondContact O-N 3.43Å
196S68.2Low61.3Low69 Ų6998.4 Ų98.448%0.48353%0.532SS..  trans-92.272.4-172.469.70000112.5A192 R193 S198A192-S196 WeakPolarHBondContact O-CB 2.96Å; A192-S196 PolarHBondContact O-N 3.11Å; A192-S196 VanDerWaalsContact O-N 3.12Å; R193-S196 PolarHBondContact O-N 2.89Å; R193-S196 PolarHBondContact O-OG 2.89Å; S196-S198 PolarHBondContact O-N 2.86Å; S196-S198 VanDerWaalsContact O-N 3.09Å
197D45.6Very low58.5Low176 Ų176103.9 Ų103.994%0.94156%0.561SS**  trans-79.487.1-178.7-124.6-10.4000111.9S195S195-D197 PolarHBondContact O-N 3.43Å
198S38.3Very low55.7Low94 Ų94111.1 Ų111.166%0.65760%0.6SS**  trans-155.1136.4159.560.20000112.5S196S196-S198 PolarHBondContact O-N 2.86Å; S196-S198 VanDerWaalsContact O-N 3.09Å
199P41.4Very low52.8Low121 Ų121115.9 Ų115.979%0.78663%0.631SS**  trans-70.9136.5171.2-1529.6000111.2T201P199-T201 PolarHBondContact O-N 3.48Å; P199-T201 VanDerWaalsContact O-N 3.16Å
200H37.7Very low50.3Low179 Ų179115 Ų11583%0.82964%0.638SS**  trans-58.2119-179.2-60.9-64000112.7
201T30.6Very low47.8Very low143 Ų143123.1 Ų123.188%0.87768%0.676SS**  trans-115.7141.1158.647.20000109.6P199P199-T201 PolarHBondContact O-N 3.48Å; P199-T201 VanDerWaalsContact O-N 3.16Å
202A35.5Very low45.2Very low92 Ų92130.7 Ų130.776%0.7671%0.714SS**  trans-101.5133.8-163.100000113.5
203K41.2Very low42.6Very low197 Ų197134.9 Ų134.986%0.85773%0.734SS**SBendtrans71.5121.9162.9-59.7172.5179173.60117.6
204R34.1Very low40.1Very low245 Ų245138.3 Ų138.393%0.92577%0.768SS**  trans61.2112158.2-67.7-179.5171.2174.9-3.6117.3
205L26.2Very low37.9Very low171 Ų171142.7 Ų142.790%0.89580%0.801SS**  -154152.8105-104.5157.7000109.8
206K43.5Very low36.1Very low201 Ų201143.2 Ų143.287%0.87481%0.805SS**  trans-87.6125.8157.2-86.5-169171.1-168.20106.4
207L27.2Very low34.8Very low157 Ų157143.7 Ų143.782%0.82281%0.813SS**  trans-153.4147.3156.5-15270.6000108
208D29.7Very low35.1Very low151 Ų151141.6 Ų141.681%0.80780%0.802SS**  trans-79.3132.9-166.4-52.6-81.6000112
209S26Very low36.4Very low129 Ų129140.2 Ų140.290%0.90279%0.79SS**  trans-102.566.5175.4-62.50000111.5
210A30.9Very low38.3Very low83 Ų83135 Ų13569%0.68676%0.755SS**  trans-86.4158.2143.600000108.3
211E34.2Very low40.7Very low188 Ų188126.9 Ų126.988%0.87972%0.718SS**SBendtrans63.268.8174.1-53.9-176.4-179.100117.3
212M31.7Very low43.5Very low171 Ų171120.1 Ų120.184%0.84268%0.676SS**  trans-16647.9153.9-108.8-80.993.100115.7
213T29.6Very low46Very low144 Ų144119 Ų11988%0.88366%0.655SS**  trans-135.935.3173.344.10000113.8S215T213-S215 PolarHBondContact O-N 2.6Å
214A32.3Very low48.3Very low101 Ų101111 Ų11184%0.83562%0.623SS**  trans-89.346.5-175.100000114.9
215S35.6Very low51Low120 Ų12099.3 Ų99.384%0.83958%0.579SS**  trans-169.973.4165.263.10000114.9T213T213-S215 PolarHBondContact O-N 2.6Å
216S38.4Very low54.1Low75 Ų7591.2 Ų91.252%0.52454%0.536SS..  trans-128.1153.6145.678.70000109.3D135 N218D135-S216 PolarHBondContact OD2-OG 3.33Å; D135-S216 VanDerWaalsContact OD2-OG 3.05Å; S216-N218 PolarHBondContact O-N 3.14Å
217A41.1Very low56.3Low79 Ų7984.3 Ų84.365%0.65351%0.509SS*.  trans-89.7103-178.700000109T219A217-T219 PolarHBondContact O-N 3.08Å; A217-T219 PolarHBondContact O-OG1 2.72Å
218N52.9Low59.3Low132 Ų13277 Ų7771%0.70647%0.471SS*.  trans-49.399.4175.8-75.3-5.4000110.3S216S216-N218 PolarHBondContact O-N 3.14Å
219T64.6Low62.3Low66 Ų6669.8 Ų69.841%0.40543%0.433SS..  trans-96.9112.6-174.3-60.10000108.9A138 A217 I221 V224A138-T219 HydrophobicContact CB-CG2 3.7Å; A217-T219 PolarHBondContact O-N 3.08Å; A217-T219 PolarHBondContact O-OG1 2.72Å; T219-I221 PolarHBondContact O-N 3.4Å; T219-V224 HydrophobicContact CG2-CG2 3.94Å
220D82.1Confident65.3Low12 Ų1267 Ų676%0.06440%0.404CS..  trans-72.7112.8-174.7-168.1-37000110.6L222 H223 V224 P310 G311 T312 M313D220-L222 PolarHBondContact O-N 2.97Å; D220-L222 WeakPolarHBondContact OD1-CB 3.49Å; D220-L222 PolarHBondContact OD1-N 3.32Å; D220-L222 VanDerWaalsContact OD1-N 3.13Å; D220-H223 HydrophobicContact CB-CB 3.87Å; D220-H223 WeakPolarHBondContact O-CB 3.31Å; D220-H223 PolarHBondContact O-N 3.27Å; D220-H223 PolarHBondContact OD1-N 3.22Å; D220-V224 PolarHBondContact O-N 2.97Å; D220-P310 WeakPolarHBondContact OD2-CA 3.39Å; D220-P310 WeakPolarHBondContact OD2-CB 3.47Å; D220-G311 PolarHBondContact OD2-N 3.49Å; D220-T312 WeakPolarHBondContact CB-OG1 3.4Å; D220-T312 PolarHBondContact OD2-N 3.13Å; D220-M313 PolarHBondContact OD2-N 3.16Å
221I88.1Confident68.1Low8 Ų867.3 Ų67.34%0.04139%0.394CS..Hα-helixtrans-63.9-32.1-174.9-73165.4000111.3P134 I137 A138 L141 T219 V224 L225 F308P134-I221 HydrophobicContact CB-CD1 4.2Å; I137-I221 HydrophobicContact CB-CD1 3.89Å; I137-I221 HydrophobicContact CD1-CD1 4.46Å; I137-I221 HydrophobicContact CG2-CD1 3.83Å; I137-I221 HydrophobicContact CG2-CG1 4.41Å; A138-I221 HydrophobicContact CB-CG1 4.24Å; L141-I221 HydrophobicContact CD1-CG2 3.82Å; T219-I221 PolarHBondContact O-N 3.4Å; I221-V224 PolarHBondContact O-N 3.27Å; I221-L225 HydrophobicContact CG2-CD1 3.97Å; I221-L225 WeakPolarHBondContact O-CD1 3.37Å; I221-L225 WeakPolarHBondContact O-CG 3.42Å; I221-L225 PolarHBondContact O-N 3.49Å; I221-L225 VanDerWaalsContact O-N 3.13Å; I221-F308 HydrophobicContact CB-CD1 4.19Å; I221-F308 HydrophobicContact CB-CG 4.33Å; I221-F308 HydrophobicContact CD1-CD1 3.61Å; I221-F308 HydrophobicContact CD1-CE1 3.49Å; I221-F308 VanDerWaalsContact CD1-CE1 3.49Å; I221-F308 HydrophobicContact CD1-CZ 4.33Å; I221-F308 HydrophobicContact CG1-CD1 4.5Å; I221-F308 HydrophobicContact CG2-CD1 4.12Å; I221-F308 HydrophobicContact CG2-CD2 4.15Å; I221-F308 HydrophobicContact CG2-CE1 4.24Å; I221-F308 HydrophobicContact CG2-CE2 4.23Å; I221-F308 HydrophobicContact CG2-CG 4.05Å; I221-F308 HydrophobicContact CG2-CZ 4.27Å
222L88.4Confident70.7Confident0 Ų058.3 Ų58.30%035%0.352CS..Hα-helixtrans-71.2-38.6177.1-176.459.8000111.3W165 W169 D220 L225 F226 A252 S256 F257W165-L222 HydrophobicContact CZ2-CD1 4.26Å; W169-L222 HydrophobicContact CH2-CD1 4Å; W169-L222 HydrophobicContact CZ2-CD1 4Å; D220-L222 PolarHBondContact O-N 2.97Å; D220-L222 WeakPolarHBondContact OD1-CB 3.49Å; D220-L222 PolarHBondContact OD1-N 3.32Å; D220-L222 VanDerWaalsContact OD1-N 3.13Å; L222-L225 PolarHBondContact O-N 3.12Å; L222-F226 HydrophobicContact CD1-CD2 3.78Å; L222-F226 HydrophobicContact CD1-CE2 3.39Å; L222-F226 HydrophobicContact CD1-CZ 3.95Å; L222-F226 HydrophobicContact CD2-CE2 3.93Å; L222-F226 HydrophobicContact CG-CD2 3.71Å; L222-F226 HydrophobicContact CG-CE2 3.49Å; L222-F226 VanDerWaalsContact CG-CE2 3.49Å; L222-F226 HydrophobicContact CG-CZ 4.49Å; L222-F226 WeakPolarHBondContact O-CD2 3.46Å; L222-F226 PolarHBondContact O-N 3.27Å; L222-A252 HydrophobicContact CD1-CB 3.93Å; L222-S256 VanDerWaalsContact CD2-CB 3.45Å; L222-F257 HydrophobicContact CD2-CD2 4.29Å; L222-F257 HydrophobicContact CD2-CE2 3.68Å; L222-F257 HydrophobicContact CD2-CZ 4.43Å
223H87.9Confident73.4Confident68 Ų6851.4 Ų51.432%0.31532%0.32SS..Hα-helixtrans-62.6-39.2172.5177.1-88000112.3D220 N227 M313D220-H223 HydrophobicContact CB-CB 3.87Å; D220-H223 WeakPolarHBondContact O-CB 3.31Å; D220-H223 PolarHBondContact O-N 3.27Å; D220-H223 PolarHBondContact OD1-N 3.22Å; H223-N227 PolarHBondContact CD2-ND2 3.41Å; H223-N227 PolarHBondContact CE1-ND2 2.98Å; H223-N227 PolarHBondContact ND1-ND2 3.37Å; H223-N227 PolarHBondContact NE2-ND2 3.36Å; H223-N227 VanDerWaalsContact NE2-ND2 3.13Å; H223-N227 WeakPolarHBondContact O-CB 3.28Å; H223-N227 PolarHBondContact O-N 3.43Å; H223-N227 PolarHBondContact O-ND2 3Å; H223-M313 HydrophobicContact CB-CB 4.25Å; H223-M313 HydrophobicContact CB-CG 4.37Å; H223-M313 HydrophobicContact CB-SD 3.94Å
224V89.1Confident76.1Confident29 Ų2950.1 Ų50.118%0.17631%0.307CS..Hα-helixtrans-60.6-47.9173.7174.50000110.6A138 L141 T219 D220 I221 A228A138-V224 HydrophobicContact CB-CG2 4.4Å; L141-V224 HydrophobicContact CB-CG1 4.12Å; T219-V224 HydrophobicContact CG2-CG2 3.94Å; D220-V224 PolarHBondContact O-N 2.97Å; I221-V224 PolarHBondContact O-N 3.27Å; V224-A228 VanDerWaalsContact O-CB 3.26Å; V224-A228 WeakPolarHBondContact O-CB 3.42Å; V224-A228 PolarHBondContact O-N 3.38Å
225L92Very high78.7Confident1 Ų147.6 Ų47.61%0.00528%0.279CS..Hα-helixtrans-67.7-42.3-176.5-69.7163.8000113.1L141 F161 W165 W169 I221 L222 A228 L229L141-L225 HydrophobicContact CD1-CD1 4.35Å; L141-L225 HydrophobicContact CD1-CD2 4.11Å; L141-L225 HydrophobicContact CD1-CG 4.23Å; L141-L225 HydrophobicContact CD2-CD2 4.19Å; F161-L225 HydrophobicContact CE2-CD2 3.79Å; F161-L225 HydrophobicContact CZ-CD2 3.64Å; W165-L225 HydrophobicContact CB-CD2 4.29Å; W165-L225 HydrophobicContact CD2-CB 4.02Å; W165-L225 HydrophobicContact CD2-CD1 4.18Å; W165-L225 HydrophobicContact CD2-CD2 4.16Å; W165-L225 HydrophobicContact CD2-CG 4.35Å; W165-L225 HydrophobicContact CE3-CB 4.11Å; W165-L225 HydrophobicContact CE3-CD2 4.36Å; W165-L225 HydrophobicContact CG-CD1 4.05Å; W165-L225 HydrophobicContact CG-CD2 4.12Å; W165-L225 HydrophobicContact CH2-CB 4.09Å; W165-L225 HydrophobicContact CZ2-CB 3.98Å; W165-L225 HydrophobicContact CZ3-CB 4.14Å; W169-L225 HydrophobicContact CH2-CD1 3.95Å; W169-L225 HydrophobicContact CZ3-CD1 3.62Å; I221-L225 HydrophobicContact CG2-CD1 3.97Å; I221-L225 WeakPolarHBondContact O-CD1 3.37Å; I221-L225 WeakPolarHBondContact O-CG 3.42Å; I221-L225 PolarHBondContact O-N 3.49Å; I221-L225 VanDerWaalsContact O-N 3.13Å; L222-L225 PolarHBondContact O-N 3.12Å; L225-A228 PolarHBondContact O-N 2.9Å; L225-L229 PolarHBondContact O-N 3.39Å
226F91.3Very high81.3Confident0 Ų042 Ų420%024%0.24CC..Hα-helixtrans-65.8-42177.1-82.4-49.7000113.1W165 L222 L229 K230 A252 L253 M313 A318 I321 I322W165-F226 AromaticContact CH2-CD1 3.74Å; W165-F226 HydrophobicContact CH2-CD1 3.74Å; W165-F226 AromaticContact CH2-CE1 3.86Å; W165-F226 HydrophobicContact CH2-CE1 3.86Å; W165-F226 HydrophobicContact CH2-CG 4.43Å; W165-F226 HydrophobicContact CZ2-CD1 4.31Å; W165-F226 HydrophobicContact CZ2-CE1 4.12Å; L222-F226 HydrophobicContact CD1-CD2 3.78Å; L222-F226 HydrophobicContact CD1-CE2 3.39Å; L222-F226 HydrophobicContact CD1-CZ 3.95Å; L222-F226 HydrophobicContact CD2-CE2 3.93Å; L222-F226 HydrophobicContact CG-CD2 3.71Å; L222-F226 HydrophobicContact CG-CE2 3.49Å; L222-F226 VanDerWaalsContact CG-CE2 3.49Å; L222-F226 HydrophobicContact CG-CZ 4.49Å; L222-F226 WeakPolarHBondContact O-CD2 3.46Å; L222-F226 PolarHBondContact O-N 3.27Å; F226-L229 PolarHBondContact O-N 2.97Å; F226-K230 WeakPolarHBondContact O-CB 3.44Å; F226-K230 PolarHBondContact O-N 3.21Å; F226-A252 HydrophobicContact CZ-CB 4.5Å; F226-L253 HydrophobicContact CZ-CB 4.33Å; F226-M313 HydrophobicContact CB-CE 4.25Å; F226-M313 HydrophobicContact CD2-CE 3.75Å; F226-M313 HydrophobicContact CD2-SD 3.87Å; F226-M313 HydrophobicContact CE2-SD 4.5Å; F226-M313 HydrophobicContact CG-CE 4.37Å; F226-A318 HydrophobicContact CD2-CB 4.43Å; F226-A318 HydrophobicContact CE2-CB 3.98Å; F226-I321 HydrophobicContact CB-CD1 4.22Å; F226-I321 HydrophobicContact CB-CG2 4.25Å; F226-I321 HydrophobicContact CD1-CG2 4.49Å; F226-I322 HydrophobicContact CD1-CG1 4.47Å; F226-I322 HydrophobicContact CE1-CD1 3.75Å; F226-I322 HydrophobicContact CE1-CG1 3.84Å; F226-I322 HydrophobicContact CZ-CD1 3.88Å; F226-I322 HydrophobicContact CZ-CG1 4.35Å
227N89.3Confident83.5Confident57 Ų5742 Ų4231%0.30525%0.245SC..Hα-helixtrans-69.3-38.3176.8-75.2-71.4000111.6H223 L229 K230 D231H223-N227 PolarHBondContact CD2-ND2 3.41Å; H223-N227 PolarHBondContact CE1-ND2 2.98Å; H223-N227 PolarHBondContact ND1-ND2 3.37Å; H223-N227 PolarHBondContact NE2-ND2 3.36Å; H223-N227 VanDerWaalsContact NE2-ND2 3.13Å; H223-N227 WeakPolarHBondContact O-CB 3.28Å; H223-N227 PolarHBondContact O-N 3.43Å; H223-N227 PolarHBondContact O-ND2 3Å; N227-L229 PolarHBondContact O-N 2.96Å; N227-K230 WeakPolarHBondContact O-CB 3.27Å; N227-K230 PolarHBondContact O-N 3.44Å; N227-D231 WeakPolarHBondContact O-CB 3.46Å; N227-D231 PolarHBondContact O-N 3.14Å
228A90.7Very high85.7Confident3 Ų339.7 Ų39.73%0.02522%0.224CC..Hα-helixtrans-58.1-45173.300000112.2T145 F161 V224 L225 D231 M232T145-A228 HydrophobicContact CG2-CB 3.59Å; T145-A228 VanDerWaalsContact OG1-CB 3.3Å; T145-A228 WeakPolarHBondContact OG1-CB 3.45Å; F161-A228 HydrophobicContact CE1-CB 4.48Å; F161-A228 HydrophobicContact CE2-CB 3.85Å; F161-A228 HydrophobicContact CZ-CB 3.59Å; V224-A228 VanDerWaalsContact O-CB 3.26Å; V224-A228 WeakPolarHBondContact O-CB 3.42Å; V224-A228 PolarHBondContact O-N 3.38Å; L225-A228 PolarHBondContact O-N 2.9Å; A228-D231 PolarHBondContact O-N 3.22Å; A228-M232 HydrophobicContact CB-CE 4.08Å; A228-M232 WeakPolarHBondContact O-CG 3.39Å; A228-M232 PolarHBondContact O-N 2.93Å
229L92.1Very high87.2Confident0 Ų035.1 Ų35.10%020%0.201CC..Hα-helixtrans-66.3-39.5175.5-176.960.8000112.4V158 F161 L162 W165 L225 F226 N227 D231 M232 T233 S249 L325 W329V158-L229 HydrophobicContact CG1-CD1 4.47Å; F161-L229 HydrophobicContact CE1-CB 4.29Å; L162-L229 HydrophobicContact CD2-CD1 4.46Å; W165-L229 HydrophobicContact CH2-CD2 4.44Å; W165-L229 HydrophobicContact CZ3-CB 4.15Å; W165-L229 HydrophobicContact CZ3-CD2 3.93Å; L225-L229 PolarHBondContact O-N 3.39Å; F226-L229 PolarHBondContact O-N 2.97Å; N227-L229 PolarHBondContact O-N 2.96Å; L229-D231 VanDerWaalsContact C-N 3.29Å; L229-D231 PolarHBondContact O-N 3.23Å; L229-M232 PolarHBondContact O-N 2.9Å; L229-T233 PolarHBondContact O-N 3.31Å; L229-S249 VanDerWaalsContact CD2-OG 3.26Å; L229-S249 WeakPolarHBondContact CD2-OG 3.33Å; L229-L325 HydrophobicContact CD2-CD1 3.9Å; L229-L325 HydrophobicContact CG-CD1 4.2Å; L229-L325 HydrophobicContact CG-CD2 4.5Å; L229-W329 HydrophobicContact CD1-CH2 4.25Å; L229-W329 HydrophobicContact CD2-CH2 4.31Å; L229-W329 HydrophobicContact CG-CH2 4.3Å
230K89.8Confident88.2Confident70 Ų7034.5 Ų34.530%0.30420%0.195SC..Hα-helixtrans-58.4-42.5174.3-169.3169.3-167.6157.20111.9F226 N227 M232 T233 I321 D324F226-K230 WeakPolarHBondContact O-CB 3.44Å; F226-K230 PolarHBondContact O-N 3.21Å; N227-K230 WeakPolarHBondContact O-CB 3.27Å; N227-K230 PolarHBondContact O-N 3.44Å; K230-M232 PolarHBondContact O-N 2.64Å; K230-T233 VanDerWaalsContact O-CG2 3.31Å; K230-T233 WeakPolarHBondContact O-CG2 3.48Å; K230-T233 PolarHBondContact O-N 3.39Å; K230-T233 PolarHBondContact O-OG1 3.38Å; K230-I321 HydrophobicContact CB-CG2 4.44Å; K230-I321 HydrophobicContact CD-CG1 4.35Å; K230-I321 HydrophobicContact CD-CG2 4.32Å; K230-D324 IonicContact NZ-OD2 2.66Å; K230-D324 PolarHBondContact NZ-OD2 3.14Å
231D88Confident88.4Confident89 Ų8934 Ų3448%0.47619%0.192SC..THydrogen-bonded Turntrans-69.2-12.7175-94.619.3000114R149 N227 A228 L229R149-D231 IonicContact CZ-OD2 3.69Å; R149-D231 IonicContact NE-OD2 3.41Å; R149-D231 PolarHBondContact NH1-O 2.9Å; R149-D231 IonicContact NH1-OD2 3.15Å; R149-D231 IonicContact NH2-OD2 3.44Å; N227-D231 WeakPolarHBondContact O-CB 3.46Å; N227-D231 PolarHBondContact O-N 3.14Å; A228-D231 PolarHBondContact O-N 3.22Å; L229-D231 VanDerWaalsContact C-N 3.29Å; L229-D231 PolarHBondContact O-N 3.23Å
232M90Very high88.5Confident0 Ų033.6 Ų33.60%019%0.19CC..THydrogen-bonded Turntrans-108.42.1-180-66.3168.8-159.300113.8T145 V148 R149 V158 F161 A228 L229 K230 D234 L235T145-M232 HydrophobicContact CG2-CE 3.83Å; V148-M232 HydrophobicContact CB-CE 3.82Å; V148-M232 HydrophobicContact CB-SD 4.28Å; V148-M232 HydrophobicContact CG1-CE 3.61Å; V148-M232 HydrophobicContact CG1-CG 4.09Å; V148-M232 HydrophobicContact CG1-SD 3.42Å; V148-M232 WeakPolarHBondContact CG1-SD 3.4Å; V148-M232 HydrophobicContact CG2-CE 4.44Å; R149-M232 HydrophobicContact CG-CG 4.38Å; V158-M232 HydrophobicContact CG2-CB 4.31Å; F161-M232 HydrophobicContact CD1-SD 4.25Å; F161-M232 HydrophobicContact CD2-CE 4.33Å; F161-M232 HydrophobicContact CE2-CE 4.49Å; F161-M232 HydrophobicContact CG-CE 4.49Å; F161-M232 HydrophobicContact CG-SD 4.3Å; A228-M232 HydrophobicContact CB-CE 4.08Å; A228-M232 WeakPolarHBondContact O-CG 3.39Å; A228-M232 PolarHBondContact O-N 2.93Å; L229-M232 PolarHBondContact O-N 2.9Å; K230-M232 PolarHBondContact O-N 2.64Å; M232-D234 VanDerWaalsContact C-N 3.25Å; M232-D234 PolarHBondContact O-N 2.79Å; M232-D234 VanDerWaalsContact O-N 3.08Å; M232-L235 HydrophobicContact CB-CD1 4.4Å; M232-L235 HydrophobicContact CG-CD1 4.41Å; M232-L235 WeakPolarHBondContact O-CB 3.35Å; M232-L235 PolarHBondContact O-N 3.22Å
233T87.6Confident88.5Confident25 Ų2533.9 Ų33.915%0.15319%0.192CC..G310 helixtrans-47.6-38.1-175.837.30000115.9L229 K230 L235 L325 F328 W329L229-T233 PolarHBondContact O-N 3.31Å; K230-T233 VanDerWaalsContact O-CG2 3.31Å; K230-T233 WeakPolarHBondContact O-CG2 3.48Å; K230-T233 PolarHBondContact O-N 3.39Å; K230-T233 PolarHBondContact O-OG1 3.38Å; T233-L235 VanDerWaalsContact C-N 3.33Å; T233-L325 HydrophobicContact CG2-CD2 3.18Å; T233-F328 HydrophobicContact CG2-CD1 4.33Å; T233-F328 HydrophobicContact CG2-CE1 4.49Å; T233-W329 HydrophobicContact CG2-CZ2 4.3Å; T233-W329 PolarHBondContact O-NE1 2.86Å
234D87.5Confident88.5Confident117 Ų11732 Ų3263%0.62618%0.183SC*.G310 helixtrans-77.4-13.7180-86-50.3000114.8M232 F328 K332M232-D234 VanDerWaalsContact C-N 3.25Å; M232-D234 PolarHBondContact O-N 2.79Å; M232-D234 VanDerWaalsContact O-N 3.08Å; D234-F328 WeakPolarHBondContact OD1-CZ 3.1Å; D234-K332 IonicContact OD1-NZ 2.65Å; D234-K332 PolarHBondContact OD1-NZ 3.18Å
235L87.1Confident88.6Confident48 Ų4830.7 Ų30.725%0.25118%0.175SC..G310 helixtrans-87.3-11.2178.7-57.6175.6000113.4A153 V158 M232 T233A153-L235 HydrophobicContact CB-CD1 4.06Å; A153-L235 HydrophobicContact CB-CD2 4.09Å; V158-L235 HydrophobicContact CG2-CB 3.73Å; V158-L235 HydrophobicContact CG2-CD1 4.26Å; M232-L235 HydrophobicContact CB-CD1 4.4Å; M232-L235 HydrophobicContact CG-CD1 4.41Å; M232-L235 WeakPolarHBondContact O-CB 3.35Å; M232-L235 PolarHBondContact O-N 3.22Å; T233-L235 VanDerWaalsContact C-N 3.33Å
236V88.7Confident88.5Confident3 Ų330.7 Ų30.72%0.01818%0.175CC..  trans-84.3121.7174.9-178.70000109.1V158 V241 C242 W329 L334V158-V236 HydrophobicContact CG1-CG2 3.94Å; V236-V241 HydrophobicContact CG1-CB 4.4Å; V236-V241 HydrophobicContact CG1-CG1 4.25Å; V236-V241 HydrophobicContact CG2-CG1 4.34Å; V236-C242 HydrophobicContact CG1-CB 4.01Å; V236-W329 HydrophobicContact CB-CZ2 4.35Å; V236-W329 HydrophobicContact CG2-CZ2 3.93Å; V236-L334 HydrophobicContact CG1-CD1 4.41Å
237A84.9Confident88.5Confident74 Ų7430.7 Ų30.761%0.61218%0.175SC*.  trans-127.9-17.1-172.800000113.5E155 L334E155-A237 PolarHBondContact OE1-N 3.25Å; A237-L334 WeakPolarHBondContact O-CD2 3.2Å
238S87.1Confident88.6Confident31 Ų3128 Ų2822%0.21716%0.16CC..SBendtrans-108.6146.9-179.268.70000112.4E155 D240 V241 C242E155-S238 WeakPolarHBondContact OE1-CB 3.31Å; E155-S238 PolarHBondContact OE1-N 3.09Å; E155-S238 PolarHBondContact OE1-OG 3.34Å; E155-S238 PolarHBondContact OE2-OG 3.35Å; S238-D240 PolarHBondContact O-N 3.22Å; S238-V241 WeakPolarHBondContact OG-CB 3.46Å; S238-V241 WeakPolarHBondContact OG-CG2 3.45Å; S238-V241 PolarHBondContact OG-N 3.01Å; S238-C242 VanDerWaalsContact O-CB 3.28Å; S238-C242 WeakPolarHBondContact O-CB 3.18Å; S238-C242 PolarHBondContact O-N 3.22Å
239T85.5Confident88.6Confident37 Ų3727.9 Ų27.923%0.22716%0.159CC..Hα-helixtrans-57.5-35.9172.7-43.40000112C242 F243 V336T239-C242 WeakPolarHBondContact O-CB 3.21Å; T239-C242 PolarHBondContact O-N 3.31Å; T239-F243 HydrophobicContact CG2-CD1 4.35Å; T239-F243 HydrophobicContact CG2-CD2 4.12Å; T239-F243 HydrophobicContact CG2-CE1 3.85Å; T239-F243 HydrophobicContact CG2-CE2 3.58Å; T239-F243 HydrophobicContact CG2-CG 4.5Å; T239-F243 HydrophobicContact CG2-CZ 3.43Å; T239-F243 VanDerWaalsContact CG2-CZ 3.43Å; T239-F243 WeakPolarHBondContact O-CB 3.46Å; T239-F243 WeakPolarHBondContact O-CG 3.21Å; T239-F243 PolarHBondContact O-N 3.46Å; T239-V336 WeakPolarHBondContact CG2-O 3.5Å
240D84.2Confident88.6Confident53 Ų5327.9 Ų27.928%0.28316%0.159SC..Hα-helixtrans-69-48.7-177-176.264.8000112.5S238 C242 F243 Q244 C344 S346S238-D240 PolarHBondContact O-N 3.22Å; D240-C242 VanDerWaalsContact C-N 3.29Å; D240-C242 PolarHBondContact O-N 3.05Å; D240-F243 PolarHBondContact O-N 3.29Å; D240-Q244 WeakPolarHBondContact O-CB 3.36Å; D240-Q244 PolarHBondContact O-N 3.17Å; D240-C344 PolarHBondContact OD1-SG 3.43Å; D240-S346 WeakPolarHBondContact OD1-CB 3.04Å; D240-S346 PolarHBondContact OD1-OG 3Å
241V87.1Confident88.6Confident0 Ų024.6 Ų24.60%015%0.145CC..Hα-helixtrans-69.4-29.8176178.30000111.2E155 V158 R159 L162 V236 S238 Q244 S245E155-V241 HydrophobicContact CG-CB 4.14Å; E155-V241 HydrophobicContact CG-CG1 4.19Å; E155-V241 HydrophobicContact CG-CG2 3.82Å; V158-V241 HydrophobicContact CG1-CG1 4.2Å; R159-V241 VanDerWaalsContact NH2-CG2 3.25Å; L162-V241 HydrophobicContact CD1-CG1 4.01Å; V236-V241 HydrophobicContact CG1-CB 4.4Å; V236-V241 HydrophobicContact CG1-CG1 4.25Å; V236-V241 HydrophobicContact CG2-CG1 4.34Å; S238-V241 WeakPolarHBondContact OG-CB 3.46Å; S238-V241 WeakPolarHBondContact OG-CG2 3.45Å; S238-V241 PolarHBondContact OG-N 3.01Å; V241-Q244 PolarHBondContact O-N 2.78Å; V241-S245 VanDerWaalsContact O-CB 3.28Å; V241-S245 WeakPolarHBondContact O-CB 3.49Å; V241-S245 PolarHBondContact O-N 2.96Å; V241-S245 PolarHBondContact O-OG 3.14Å
242C89.3Confident88.8Confident0 Ų020.4 Ų20.40%012%0.123CC..Hα-helixtrans-61.4-48.3169.1-173.70000111.8V236 S238 T239 D240 S245 L246 W329 L334 L335V236-C242 HydrophobicContact CG1-CB 4.01Å; S238-C242 VanDerWaalsContact O-CB 3.28Å; S238-C242 WeakPolarHBondContact O-CB 3.18Å; S238-C242 PolarHBondContact O-N 3.22Å; T239-C242 WeakPolarHBondContact O-CB 3.21Å; T239-C242 PolarHBondContact O-N 3.31Å; D240-C242 VanDerWaalsContact C-N 3.29Å; D240-C242 PolarHBondContact O-N 3.05Å; C242-S245 WeakPolarHBondContact O-CB 3.29Å; C242-S245 PolarHBondContact O-N 3.32Å; C242-L246 PolarHBondContact O-N 2.8Å; C242-W329 VanDerWaalsContact SG-CB 3.57Å; C242-L334 HydrophobicContact CB-CB 4.17Å; C242-L335 WeakPolarHBondContact SG-CD2 3.38Å
243F88.5Confident88.8Confident7 Ų720.4 Ų20.43%0.03112%0.123CC..Hα-helixtrans-65.6-37.3175.8-67.8-14000112.8T239 D240 S247 L335 V337 A347 L350T239-F243 HydrophobicContact CG2-CD1 4.35Å; T239-F243 HydrophobicContact CG2-CD2 4.12Å; T239-F243 HydrophobicContact CG2-CE1 3.85Å; T239-F243 HydrophobicContact CG2-CE2 3.58Å; T239-F243 HydrophobicContact CG2-CG 4.5Å; T239-F243 HydrophobicContact CG2-CZ 3.43Å; T239-F243 VanDerWaalsContact CG2-CZ 3.43Å; T239-F243 WeakPolarHBondContact O-CB 3.46Å; T239-F243 WeakPolarHBondContact O-CG 3.21Å; T239-F243 PolarHBondContact O-N 3.46Å; D240-F243 PolarHBondContact O-N 3.29Å; F243-S247 VanDerWaalsContact O-CB 3.27Å; F243-S247 WeakPolarHBondContact O-CB 3.48Å; F243-S247 PolarHBondContact O-N 3.5Å; F243-S247 PolarHBondContact O-OG 2.85Å; F243-L335 HydrophobicContact CD1-CD2 4.06Å; F243-L335 HydrophobicContact CE1-CD2 3.93Å; F243-V337 HydrophobicContact CE2-CG2 4.21Å; F243-V337 HydrophobicContact CZ-CG2 4.01Å; F243-A347 HydrophobicContact CD2-CB 3.71Å; F243-A347 HydrophobicContact CE2-CB 3.73Å; F243-L350 HydrophobicContact CB-CB 4.43Å; F243-L350 HydrophobicContact CB-CD2 4.11Å; F243-L350 HydrophobicContact CD1-CD2 3.38Å; F243-L350 HydrophobicContact CE1-CD2 3.93Å; F243-L350 HydrophobicContact CG-CD2 3.88Å
244Q89Confident88.9Confident29 Ų2920 Ų2014%0.13612%0.119CC..Hα-helixtrans-62.6-44.8171.6-169.4-175.93.300111L162 D240 V241 S247 V248L162-Q244 HydrophobicContact CB-CG 4.25Å; L162-Q244 HydrophobicContact CD1-CB 4.27Å; L162-Q244 HydrophobicContact CD1-CG 4.08Å; D240-Q244 WeakPolarHBondContact O-CB 3.36Å; D240-Q244 PolarHBondContact O-N 3.17Å; V241-Q244 PolarHBondContact O-N 2.78Å; Q244-S247 WeakPolarHBondContact CA-OG 3.32Å; Q244-S247 PolarHBondContact O-N 3.17Å; Q244-S247 PolarHBondContact O-OG 3.32Å; Q244-S247 VanDerWaalsContact O-OG 3.13Å; Q244-V248 WeakPolarHBondContact O-CB 3.39Å; Q244-V248 VanDerWaalsContact O-CG2 3.31Å; Q244-V248 WeakPolarHBondContact O-CG2 3.47Å; Q244-V248 PolarHBondContact O-N 2.94Å
245S90.9Very high89Confident0 Ų014.5 Ų14.50%09%0.089CC..Hα-helixtrans-60.3-49.3178.8-60.90000112L162 V241 C242 S249 W329L162-S245 WeakPolarHBondContact CD1-OG 3.3Å; V241-S245 VanDerWaalsContact O-CB 3.28Å; V241-S245 WeakPolarHBondContact O-CB 3.49Å; V241-S245 PolarHBondContact O-N 2.96Å; V241-S245 PolarHBondContact O-OG 3.14Å; C242-S245 WeakPolarHBondContact O-CB 3.29Å; C242-S245 PolarHBondContact O-N 3.32Å; S245-S249 VanDerWaalsContact O-CB 3.22Å; S245-S249 WeakPolarHBondContact O-CB 3.05Å; S245-S249 PolarHBondContact O-N 2.7Å; S245-S249 PolarHBondContact O-OG 3.31Å; S245-W329 VanDerWaalsContact CB-CH2 3.49Å
246L90.4Very high89Confident1 Ų112.2 Ų12.21%0.0058%0.077CC..Hα-helixtrans-69.3-40.7179-72.5-179.9000112.5C242 S249 L250 A326 W329 L335 L350C242-L246 PolarHBondContact O-N 2.8Å; L246-S249 PolarHBondContact O-N 2.73Å; L246-L250 VanDerWaalsContact O-CB 3.26Å; L246-L250 WeakPolarHBondContact O-CB 3.22Å; L246-L250 VanDerWaalsContact O-CG 3.23Å; L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 2.95Å; L246-A326 HydrophobicContact CD1-CB 4.39Å; L246-A326 HydrophobicContact CD2-CB 3.91Å; L246-W329 HydrophobicContact CD1-CE3 4.45Å; L246-W329 HydrophobicContact CD2-CE3 3.94Å; L246-W329 HydrophobicContact CD2-CZ3 3.74Å; L246-W329 HydrophobicContact CG-CE3 3.95Å; L246-W329 HydrophobicContact CG-CZ3 3.89Å; L246-L335 HydrophobicContact CD1-CD1 4.2Å; L246-L335 HydrophobicContact CD1-CD2 3.57Å; L246-L350 HydrophobicContact CB-CD1 3.62Å
247S90.4Very high88.9Confident0 Ų014.3 Ų14.30%09%0.086CC..Hα-helixtrans-66.5-43179.856.70000112.3F243 Q244 D251 S353F243-S247 VanDerWaalsContact O-CB 3.27Å; F243-S247 WeakPolarHBondContact O-CB 3.48Å; F243-S247 PolarHBondContact O-N 3.5Å; F243-S247 PolarHBondContact O-OG 2.85Å; Q244-S247 WeakPolarHBondContact CA-OG 3.32Å; Q244-S247 PolarHBondContact O-N 3.17Å; Q244-S247 PolarHBondContact O-OG 3.32Å; Q244-S247 VanDerWaalsContact O-OG 3.13Å; S247-D251 VanDerWaalsContact O-CB 3.25Å; S247-D251 WeakPolarHBondContact O-CB 3.39Å; S247-D251 PolarHBondContact O-N 2.92Å; S247-S353 PolarHBondContact O-OG 3.21Å
248V91.8Very high88.9Confident1 Ų112.4 Ų12.41%0.0067%0.065CC..Hα-helixtrans-63.1-42.8172.9173.90000111.1L162 W165 W166 Q244 A252L162-V248 HydrophobicContact CD2-CB 4.4Å; L162-V248 HydrophobicContact CD2-CG1 4.49Å; W165-V248 HydrophobicContact CB-CG1 4.24Å; W165-V248 HydrophobicContact CD2-CG1 3.52Å; W165-V248 HydrophobicContact CE3-CG1 3.96Å; W165-V248 HydrophobicContact CG-CG1 3.65Å; W165-V248 HydrophobicContact CZ2-CG1 4.39Å; W166-V248 HydrophobicContact CB-CG2 4.1Å; W166-V248 HydrophobicContact CG-CG2 4.4Å; Q244-V248 WeakPolarHBondContact O-CB 3.39Å; Q244-V248 VanDerWaalsContact O-CG2 3.31Å; Q244-V248 WeakPolarHBondContact O-CG2 3.47Å; Q244-V248 PolarHBondContact O-N 2.94Å; V248-A252 WeakPolarHBondContact O-CB 3.36Å; V248-A252 PolarHBondContact O-N 3.35Å
249S91.7Very high88.8Confident0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-63.4-45.3178.1-65.10000113.1L229 S245 L246 A252 L253 I322L229-S249 VanDerWaalsContact CD2-OG 3.26Å; L229-S249 WeakPolarHBondContact CD2-OG 3.33Å; S245-S249 VanDerWaalsContact O-CB 3.22Å; S245-S249 WeakPolarHBondContact O-CB 3.05Å; S245-S249 PolarHBondContact O-N 2.7Å; S245-S249 PolarHBondContact O-OG 3.31Å; L246-S249 PolarHBondContact O-N 2.73Å; S249-A252 PolarHBondContact O-N 3.46Å; S249-L253 WeakPolarHBondContact O-CB 3.07Å; S249-L253 PolarHBondContact O-N 3.16Å; S249-I322 WeakPolarHBondContact O-CD1 3.34Å
250L90.9Very high88.6Confident0 Ų016 Ų160%09%0.086CC..Hα-helixtrans-70.3-41.3179.4-72.7170.3000111.5L246 A252 L253 Y254 I322 L350 I354 V357 L378L246-L250 VanDerWaalsContact O-CB 3.26Å; L246-L250 WeakPolarHBondContact O-CB 3.22Å; L246-L250 VanDerWaalsContact O-CG 3.23Å; L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 2.95Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-L253 PolarHBondContact O-N 2.83Å; L250-Y254 VanDerWaalsContact O-CB 3.24Å; L250-Y254 WeakPolarHBondContact O-CB 3.31Å; L250-Y254 PolarHBondContact O-N 3.07Å; L250-I322 HydrophobicContact CD2-CG2 4.03Å; L250-L350 HydrophobicContact CD1-CD1 3.87Å; L250-I354 HydrophobicContact CD1-CG1 3.83Å; L250-V357 HydrophobicContact CB-CG2 4.11Å; L250-V357 HydrophobicContact CD2-CB 4.41Å; L250-V357 HydrophobicContact CD2-CG1 4.15Å; L250-V357 HydrophobicContact CD2-CG2 4.16Å; L250-L378 HydrophobicContact CD1-CD1 4.26Å; L250-L378 HydrophobicContact CD1-CD2 4.32Å; L250-L378 HydrophobicContact CD2-CD1 3.93Å
251D91Very high88.5Confident1 Ų120.9 Ų20.91%0.00511%0.107CC..Hα-helixtrans-64-38.9173.7-67.7-21.9000111W166 S247 T255 R349 S353 R356W166-D251 HydrophobicContact CH2-CB 4.15Å; W166-D251 HydrophobicContact CZ3-CB 3.86Å; S247-D251 VanDerWaalsContact O-CB 3.25Å; S247-D251 WeakPolarHBondContact O-CB 3.39Å; S247-D251 PolarHBondContact O-N 2.92Å; D251-T255 WeakPolarHBondContact O-CB 3.48Å; D251-T255 WeakPolarHBondContact O-CG2 3.29Å; D251-T255 PolarHBondContact O-N 2.69Å; D251-T255 PolarHBondContact O-OG1 3.17Å; D251-R349 IonicContact OD2-CZ 3.82Å; D251-R349 IonicContact OD2-NE 3.56Å; D251-R349 PolarHBondContact OD2-NE 3.39Å; D251-R349 VanDerWaalsContact OD2-NE 3.11Å; D251-R349 IonicContact OD2-NH2 3.63Å; D251-R349 PolarHBondContact OD2-NH2 3.12Å; D251-S353 VanDerWaalsContact OD1-CB 3.25Å; D251-S353 WeakPolarHBondContact OD1-CB 3.36Å; D251-S353 PolarHBondContact OD1-OG 3.42Å; D251-S353 PolarHBondContact OD2-OG 3.32Å; D251-R356 IonicContact OD1-CZ 3.64Å; D251-R356 IonicContact OD1-NE 3.76Å; D251-R356 IonicContact OD1-NH2 2.7Å; D251-R356 PolarHBondContact OD1-NH2 3.25Å; D251-R356 IonicContact OD2-NH2 3.59Å
252A90.9Very high88.3Confident1 Ų124.7 Ų24.71%0.00813%0.125CC..Hα-helixtrans-66.8-42.717600000112.6W165 W169 L222 F226 V248 S249 L250 T255 S256W165-A252 HydrophobicContact CZ2-CB 3.75Å; W169-A252 HydrophobicContact CZ2-CB 3.97Å; L222-A252 HydrophobicContact CD1-CB 3.93Å; F226-A252 HydrophobicContact CZ-CB 4.5Å; V248-A252 WeakPolarHBondContact O-CB 3.36Å; V248-A252 PolarHBondContact O-N 3.35Å; S249-A252 PolarHBondContact O-N 3.46Å; L250-A252 VanDerWaalsContact C-N 3.33Å; A252-T255 PolarHBondContact O-OG1 3.03Å; A252-S256 WeakPolarHBondContact O-CB 3.21Å; A252-S256 PolarHBondContact O-N 2.88Å; A252-S256 PolarHBondContact O-OG 3.48Å
253L90.3Very high88Confident0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-63.5-46.3174.1-179.4146.7000111.4F226 S249 L250 S256 F257 L258 L315 A318 L319 I322F226-L253 HydrophobicContact CZ-CB 4.33Å; S249-L253 WeakPolarHBondContact O-CB 3.07Å; S249-L253 PolarHBondContact O-N 3.16Å; L250-L253 PolarHBondContact O-N 2.83Å; L253-S256 PolarHBondContact O-N 2.92Å; L253-F257 HydrophobicContact CG-CD2 4.32Å; L253-F257 PolarHBondContact O-N 2.8Å; L253-L258 HydrophobicContact CD2-CD1 3.65Å; L253-L258 HydrophobicContact CD2-CG 3.98Å; L253-L315 HydrophobicContact CD1-CD1 4.13Å; L253-L315 HydrophobicContact CD2-CD1 4.18Å; L253-L315 HydrophobicContact CG-CD1 4.18Å; L253-A318 HydrophobicContact CD1-CB 3.92Å; L253-L319 HydrophobicContact CD1-CD2 3.82Å; L253-L319 HydrophobicContact CD1-CG 4.08Å; L253-L319 HydrophobicContact CD2-CD2 4.41Å; L253-I322 HydrophobicContact CB-CD1 3.86Å; L253-I322 HydrophobicContact CD1-CD1 3.76Å; L253-I322 HydrophobicContact CG-CD1 4.43Å
254Y89.2Confident87.7Confident18 Ų1832.4 Ų32.47%0.07117%0.172CC..Iπ-helixtrans-56.9-54.9178.2-178.5-103.6000111.4L250 S256 L258 I259 S302 R356 V357 A360L250-Y254 VanDerWaalsContact O-CB 3.24Å; L250-Y254 WeakPolarHBondContact O-CB 3.31Å; L250-Y254 PolarHBondContact O-N 3.07Å; Y254-S256 VanDerWaalsContact C-N 3.31Å; Y254-S256 PolarHBondContact O-N 3.23Å; Y254-L258 HydrophobicContact CD2-CB 4.14Å; Y254-L258 HydrophobicContact CD2-CD1 4.23Å; Y254-L258 WeakPolarHBondContact O-CA 3.44Å; Y254-L258 PolarHBondContact O-N 3.42Å; Y254-I259 HydrophobicContact CD1-CD1 4.18Å; Y254-I259 HydrophobicContact CD1-CG1 4.37Å; Y254-I259 HydrophobicContact CE1-CD1 3.84Å; Y254-I259 HydrophobicContact CE1-CG1 4.25Å; Y254-I259 HydrophobicContact CE1-CG2 3.92Å; Y254-I259 HydrophobicContact CE2-CG2 4.08Å; Y254-I259 PolarHBondContact O-N 3.05Å; Y254-S302 WeakPolarHBondContact CD1-O 3.39Å; Y254-S302 WeakPolarHBondContact CE1-O 3.28Å; Y254-R356 HydrophobicContact CD2-CB 4.13Å; Y254-R356 HydrophobicContact CE1-CB 4.45Å; Y254-R356 HydrophobicContact CE2-CB 3.86Å; Y254-V357 HydrophobicContact CD2-CG2 4.26Å; Y254-V357 HydrophobicContact CG-CG2 4.48Å; Y254-A360 HydrophobicContact CD2-CB 4.25Å; Y254-A360 HydrophobicContact CE2-CB 3.84Å
255T89.6Confident87.4Confident0 Ų032.7 Ų32.70%017%0.174CC..Iπ-helixtrans-71.1-20.1-175.9560000114.4W169 D251 A252 I259 A301 S304 P305 S306 Q309W169-T255 PolarHBondContact NE1-OG1 3.01Å; D251-T255 WeakPolarHBondContact O-CB 3.48Å; D251-T255 WeakPolarHBondContact O-CG2 3.29Å; D251-T255 PolarHBondContact O-N 2.69Å; D251-T255 PolarHBondContact O-OG1 3.17Å; A252-T255 PolarHBondContact O-OG1 3.03Å; T255-I259 HydrophobicContact CG2-CD1 4.42Å; T255-A301 WeakPolarHBondContact CG2-O 3.36Å; T255-S304 WeakPolarHBondContact CB-O 3.26Å; T255-S304 WeakPolarHBondContact CG2-O 3.32Å; T255-P305 CarbonylContact O-C 3.57Å; T255-P305 WeakPolarHBondContact O-CA 3.38Å; T255-S306 PolarHBondContact O-N 2.67Å; T255-Q309 PolarHBondContact O-NE2 3.46Å
256S88Confident87.1Confident1 Ų135.6 Ų35.61%0.00719%0.193CC..Iπ-helixtrans-106.6-15-176.8-460000114.2L222 A252 L253 Y254 S306 Q309 P310L222-S256 VanDerWaalsContact CD2-CB 3.45Å; A252-S256 WeakPolarHBondContact O-CB 3.21Å; A252-S256 PolarHBondContact O-N 2.88Å; A252-S256 PolarHBondContact O-OG 3.48Å; L253-S256 PolarHBondContact O-N 2.92Å; Y254-S256 VanDerWaalsContact C-N 3.31Å; Y254-S256 PolarHBondContact O-N 3.23Å; S256-S306 VanDerWaalsContact OG-CB 3.24Å; S256-S306 WeakPolarHBondContact OG-CB 3.33Å; S256-Q309 PolarHBondContact O-OE1 3.03Å; S256-P310 WeakPolarHBondContact O-CD 3.47Å; S256-P310 WeakPolarHBondContact O-CG 3.37Å
257F85.8Confident86.9Confident47 Ų4737.2 Ų37.221%0.20620%0.201CC..Iπ-helixtrans-131.6-30.4178.7-67.6-81.6000115.1L222 L253 P310 M313 L315 A318L222-F257 HydrophobicContact CD2-CD2 4.29Å; L222-F257 HydrophobicContact CD2-CE2 3.68Å; L222-F257 HydrophobicContact CD2-CZ 4.43Å; L253-F257 HydrophobicContact CG-CD2 4.32Å; L253-F257 PolarHBondContact O-N 2.8Å; F257-P310 HydrophobicContact CD1-CG 3.68Å; F257-P310 HydrophobicContact CD2-CG 4.44Å; F257-P310 HydrophobicContact CE1-CB 3.85Å; F257-P310 HydrophobicContact CE1-CG 3.28Å; F257-P310 HydrophobicContact CE2-CB 4.48Å; F257-P310 HydrophobicContact CE2-CG 4.11Å; F257-P310 HydrophobicContact CG-CG 4.25Å; F257-P310 HydrophobicContact CZ-CB 3.74Å; F257-P310 HydrophobicContact CZ-CG 3.54Å; F257-M313 HydrophobicContact CZ-CB 4.38Å; F257-M313 HydrophobicContact CZ-CG 4.36Å; F257-L315 HydrophobicContact CB-CB 4.47Å; F257-L315 HydrophobicContact CB-CD1 3.78Å; F257-L315 HydrophobicContact CD1-CB 3.8Å; F257-L315 HydrophobicContact CD1-CD1 4.47Å; F257-L315 HydrophobicContact CD2-CD1 4.29Å; F257-L315 HydrophobicContact CE1-CB 4.17Å; F257-L315 HydrophobicContact CG-CB 4.19Å; F257-L315 HydrophobicContact CG-CD1 3.97Å; F257-A318 HydrophobicContact CD2-CB 4.35Å; F257-A318 HydrophobicContact CE2-CB 3.63Å; F257-A318 HydrophobicContact CZ-CB 4.14Å
258L85.1Confident86.6Confident33 Ų3340.7 Ų40.717%0.17322%0.222CC..Iπ-helixtrans-100.4-15.2-169.4-56.8-177.3000114.2L253 Y254 L315 V357 A360 L361L253-L258 HydrophobicContact CD2-CD1 3.65Å; L253-L258 HydrophobicContact CD2-CG 3.98Å; Y254-L258 HydrophobicContact CD2-CB 4.14Å; Y254-L258 HydrophobicContact CD2-CD1 4.23Å; Y254-L258 WeakPolarHBondContact O-CA 3.44Å; Y254-L258 PolarHBondContact O-N 3.42Å; L258-L315 HydrophobicContact CD2-CD1 4.26Å; L258-L315 HydrophobicContact CD2-CD2 4.02Å; L258-V357 HydrophobicContact CD1-CG1 4.44Å; L258-A360 HydrophobicContact CB-CB 4.11Å; L258-A360 HydrophobicContact CD1-CB 4.05Å; L258-L361 HydrophobicContact CD1-CD2 4.08Å; L258-L361 HydrophobicContact CD1-CG 4.16Å; L258-L361 HydrophobicContact CD2-CD2 4.1Å
259I85.8Confident86.2Confident16 Ų1645 Ų458%0.08224%0.243CC..  trans-127.9135.2174.558.9164.4000112.7Y254 T255 V263 L303 P305Y254-I259 HydrophobicContact CD1-CD1 4.18Å; Y254-I259 HydrophobicContact CD1-CG1 4.37Å; Y254-I259 HydrophobicContact CE1-CD1 3.84Å; Y254-I259 HydrophobicContact CE1-CG1 4.25Å; Y254-I259 HydrophobicContact CE1-CG2 3.92Å; Y254-I259 HydrophobicContact CE2-CG2 4.08Å; Y254-I259 PolarHBondContact O-N 3.05Å; T255-I259 HydrophobicContact CG2-CD1 4.42Å; I259-V263 HydrophobicContact CD1-CG2 4.39Å; I259-V263 HydrophobicContact CG2-CG2 3.94Å; I259-L303 WeakPolarHBondContact CD1-O 3.35Å; I259-P305 HydrophobicContact CD1-CG 4.4Å; I259-P305 HydrophobicContact CG1-CG 4.45Å
260T80.3Confident85.9Confident129 Ų12946.4 Ų46.479%0.79125%0.249SC*.SBendtrans-109-6.3176.560.60000113.3
261Q82.6Confident85.7Confident154 Ų15446.4 Ų46.472%0.7225%0.249SC*.SBendtrans-140.3162.2176.6-63.7-172.96.900109.6
262E82.8Confident85.3Confident81 Ų8148.6 Ų48.638%0.37926%0.26SS..  trans-73.5129.6178.9-179172172.800111.7R172 V264 L303R172-E262 IonicContact CZ-OE1 3.37Å; R172-E262 IonicContact CZ-OE2 3.73Å; R172-E262 IonicContact NH1-OE1 3.11Å; R172-E262 IonicContact NH1-OE2 3.23Å; R172-E262 PolarHBondContact NH1-OE2 2.72Å; R172-E262 IonicContact NH2-OE1 2.73Å; R172-E262 PolarHBondContact NH2-OE1 3.48Å; R172-E262 IonicContact NH2-OE2 2.64Å; R172-E262 PolarHBondContact NH2-OE2 2.7Å; E262-V264 PolarHBondContact O-N 3.04Å; E262-L303 WeakPolarHBondContact CA-O 3.31Å
263V83.1Confident84.8Confident46 Ų4649.8 Ų49.828%0.27927%0.267SS..  trans-81.7103-176.4-179.90000110.4I259 L265 L303I259-V263 HydrophobicContact CD1-CG2 4.39Å; I259-V263 HydrophobicContact CG2-CG2 3.94Å; V263-L265 HydrophobicContact CG1-CD2 4.14Å; V263-L265 PolarHBondContact O-N 3.44Å; V263-L303 HydrophobicContact CB-CB 4.42Å; V263-L303 HydrophobicContact CB-CD2 4.22Å; V263-L303 HydrophobicContact CG1-CD2 4.42Å; V263-L303 PolarHBondContact N-O 3.08Å
264V81.4Confident84.6Confident123 Ų12349.9 Ų49.975%0.74527%0.267SS*.  trans-79.687.7-177.6-173.80000111.2E262E262-V264 PolarHBondContact O-N 3.04Å
265L83.1Confident84.3Confident34 Ų3449.1 Ų49.118%0.17826%0.264CS..  trans-67.4144.4172.7-63.2-175.7000112.7V263 K270 I273 L303V263-L265 HydrophobicContact CG1-CD2 4.14Å; V263-L265 PolarHBondContact O-N 3.44Å; L265-K270 HydrophobicContact CB-CG 3.95Å; L265-K270 VanDerWaalsContact O-CE 3.29Å; L265-K270 WeakPolarHBondContact O-CE 3.43Å; L265-I273 HydrophobicContact CD1-CD1 3.52Å; L265-L303 HydrophobicContact CD1-CD1 3.64Å; L265-L303 HydrophobicContact CD1-CD2 4.21Å; L265-L303 HydrophobicContact CG-CD1 3.87Å; L265-L303 HydrophobicContact CG-CD2 4.39Å
266P86.3Confident83.8Confident61 Ų6151.6 Ų51.640%0.39628%0.275SS..  trans-52.9145.6167.7-28.537.2000113.4T268 E269 K270P266-T268 PolarHBondContact O-N 3.03Å; P266-E269 HydrophobicContact CB-CG 4.49Å; P266-E269 WeakPolarHBondContact CG-OE1 3.49Å; P266-E269 PolarHBondContact O-N 3.38Å; P266-K270 PolarHBondContact O-N 2.68Å
267I84.9Confident83.3Confident36 Ų3651.9 Ų51.919%0.18528%0.277CS..Hα-helixtrans-60-31.9-178-53.8-60.4000112.3K270 L271 D407 F411 L414I267-K270 HydrophobicContact CD1-CD 4.24Å; I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 PolarHBondContact O-N 2.76Å; I267-D407 HydrophobicContact CD1-CB 4.32Å; I267-F411 HydrophobicContact CG2-CD1 3.64Å; I267-F411 HydrophobicContact CG2-CD2 4.27Å; I267-F411 HydrophobicContact CG2-CE1 3.71Å; I267-F411 HydrophobicContact CG2-CE2 4.34Å; I267-F411 HydrophobicContact CG2-CG 3.94Å; I267-F411 HydrophobicContact CG2-CZ 4.06Å; I267-L414 HydrophobicContact CG2-CB 4.45Å; I267-L414 HydrophobicContact CG2-CD2 3.99Å
268T84.1Confident82.9Confident72 Ų7250.3 Ų50.344%0.44227%0.27SS..Hα-helixtrans-64.1-40.3174.740.10000112.8P266 L271 D272 L414P266-T268 PolarHBondContact O-N 3.03Å; T268-L271 PolarHBondContact O-N 3.19Å; T268-D272 PolarHBondContact O-N 2.93Å; T268-D272 VanDerWaalsContact O-N 3.11Å; T268-L414 HydrophobicContact CG2-CD1 3.85Å; T268-L414 HydrophobicContact CG2-CD2 4.05Å
269E82.9Confident82.4Confident92 Ų9250.9 Ų50.943%0.4328%0.284SS..Hα-helixtrans-74.7-43.1176.6-70.3165.6-139.600110.9P266 L271 D272 I273P266-E269 HydrophobicContact CB-CG 4.49Å; P266-E269 WeakPolarHBondContact CG-OE1 3.49Å; P266-E269 PolarHBondContact O-N 3.38Å; E269-L271 PolarHBondContact O-N 3.49Å; E269-D272 PolarHBondContact O-N 2.84Å; E269-I273 VanDerWaalsContact O-CB 3.3Å; E269-I273 WeakPolarHBondContact O-CB 3.4Å; E269-I273 WeakPolarHBondContact O-CD1 3.12Å; E269-I273 WeakPolarHBondContact O-CG1 3.46Å; E269-I273 PolarHBondContact O-N 3.35Å
270K86.1Confident81.6Confident30 Ų3052.1 Ų52.113%0.1329%0.293CS..Hα-helixtrans-53.3-40.7170.7-71.5-179.6171176.40111.5L265 P266 I267 L274 L299 D407 F411L265-K270 HydrophobicContact CB-CG 3.95Å; L265-K270 VanDerWaalsContact O-CE 3.29Å; L265-K270 WeakPolarHBondContact O-CE 3.43Å; P266-K270 PolarHBondContact O-N 2.68Å; I267-K270 HydrophobicContact CD1-CD 4.24Å; K270-L274 WeakPolarHBondContact O-CB 3.43Å; K270-L274 WeakPolarHBondContact O-CG 3.36Å; K270-L274 PolarHBondContact O-N 2.97Å; K270-L299 HydrophobicContact CB-CD2 4.41Å; K270-L299 HydrophobicContact CG-CD2 4.27Å; K270-D407 IonicContact NZ-OD2 3.89Å; K270-D407 PolarHBondContact NZ-OD2 2.79Å; K270-F411 HydrophobicContact CB-CZ 4.34Å
271L86.4Confident81.1Confident0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-67.3-50.4177.6-174.356.4000112.7I267 T268 E269 I273 L274 C275 Q393 V396 T397 F411 L414 W421I267-L271 WeakPolarHBondContact O-CB 3.47Å; I267-L271 PolarHBondContact O-N 2.76Å; T268-L271 PolarHBondContact O-N 3.19Å; E269-L271 PolarHBondContact O-N 3.49Å; L271-I273 PolarHBondContact O-N 3.5Å; L271-L274 PolarHBondContact O-N 3.23Å; L271-C275 PolarHBondContact O-N 3.43Å; L271-C275 PolarHBondContact O-SG 3.41Å; L271-Q393 HydrophobicContact CD2-CB 3.94Å; L271-Q393 HydrophobicContact CG-CB 4.22Å; L271-Q393 HydrophobicContact CG-CG 4.48Å; L271-V396 HydrophobicContact CD1-CB 4.24Å; L271-V396 HydrophobicContact CD1-CG1 3.91Å; L271-T397 WeakPolarHBondContact CD1-OG1 3.49Å; L271-T397 WeakPolarHBondContact CD2-OG1 3.46Å; L271-F411 HydrophobicContact CB-CE1 4.03Å; L271-F411 HydrophobicContact CD1-CE1 4.08Å; L271-L414 HydrophobicContact CD2-CD2 4.01Å; L271-W421 HydrophobicContact CD2-CH2 3.53Å; L271-W421 HydrophobicContact CD2-CZ2 3.88Å
272D83.4Confident79.8Confident46 Ų4644.7 Ų44.725%0.24626%0.257CS..Hα-helixtrans-56.7-41.8176.9-173.482.9000111.4T268 E269 K276 N388T268-D272 PolarHBondContact O-N 2.93Å; T268-D272 VanDerWaalsContact O-N 3.11Å; E269-D272 PolarHBondContact O-N 2.84Å; D272-K276 PolarHBondContact O-N 3.11Å; D272-K276 IonicContact OD1-NZ 3.44Å; D272-K276 PolarHBondContact OD1-NZ 2.93Å; D272-K276 WeakPolarHBondContact OD2-CE 3.37Å; D272-K276 IonicContact OD2-NZ 2.76Å; D272-K276 PolarHBondContact OD2-NZ 3.46Å; D272-N388 PolarHBondContact O-ND2 3.3Å; D272-N388 PolarHBondContact OD1-ND2 2.92Å
273I80.9Confident78.6Confident27 Ų2748.6 Ų48.614%0.13828%0.275CS..Hα-helixtrans-60.1-53.7176.1-71.6167.4000110.4L265 E269 L271 C275 T277 L299 R352L265-I273 HydrophobicContact CD1-CD1 3.52Å; E269-I273 VanDerWaalsContact O-CB 3.3Å; E269-I273 WeakPolarHBondContact O-CB 3.4Å; E269-I273 WeakPolarHBondContact O-CD1 3.12Å; E269-I273 WeakPolarHBondContact O-CG1 3.46Å; E269-I273 PolarHBondContact O-N 3.35Å; L271-I273 PolarHBondContact O-N 3.5Å; I273-C275 PolarHBondContact O-N 2.97Å; I273-T277 WeakPolarHBondContact O-CB 3.41Å; I273-T277 PolarHBondContact O-N 3.19Å; I273-T277 VanDerWaalsContact O-N 3.14Å; I273-T277 PolarHBondContact O-OG1 2.99Å; I273-L299 HydrophobicContact CB-CD2 4.37Å; I273-L299 HydrophobicContact CD1-CD1 4.31Å; I273-L299 HydrophobicContact CG2-CD1 3.72Å; I273-L299 HydrophobicContact CG2-CD2 3.8Å; I273-L299 HydrophobicContact CG2-CG 4.26Å; I273-R352 VanDerWaalsContact CA-NH2 3.34Å; I273-R352 PolarHBondContact O-NH1 3.17Å; I273-R352 PolarHBondContact O-NH2 2.98Å
274L84.8Confident77.2Confident2 Ų250 Ų501%0.0128%0.281CS..Hα-helixtrans-60-45.3-179.8-72.2169.1000112.2K270 L271 K276 T277 I278 A295 Q296 I400 F411K270-L274 WeakPolarHBondContact O-CB 3.43Å; K270-L274 WeakPolarHBondContact O-CG 3.36Å; K270-L274 PolarHBondContact O-N 2.97Å; L271-L274 PolarHBondContact O-N 3.23Å; L274-K276 PolarHBondContact O-N 3.42Å; L274-T277 WeakPolarHBondContact O-CB 3.33Å; L274-T277 PolarHBondContact O-N 3.36Å; L274-T277 VanDerWaalsContact O-N 3.08Å; L274-I278 WeakPolarHBondContact O-CD1 3.45Å; L274-I278 VanDerWaalsContact O-CG1 3.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.19Å; L274-I278 PolarHBondContact O-N 3.21Å; L274-A295 HydrophobicContact CD2-CB 3.64Å; L274-Q296 HydrophobicContact CD1-CG 4.06Å; L274-Q296 HydrophobicContact CD2-CG 3.91Å; L274-I400 HydrophobicContact CD1-CD1 4.17Å; L274-F411 HydrophobicContact CD1-CZ 4.1Å
275C83Confident75.8Confident1 Ų153 Ų531%0.00729%0.287CS..Hα-helixtrans-56.6-50.7-178.8-70.90000113L271 I273 T277 I278 G279 N388 I392L271-C275 PolarHBondContact O-N 3.43Å; L271-C275 PolarHBondContact O-SG 3.41Å; I273-C275 PolarHBondContact O-N 2.97Å; C275-T277 VanDerWaalsContact C-N 3.3Å; C275-T277 PolarHBondContact O-N 3.23Å; C275-I278 PolarHBondContact O-N 3.09Å; C275-G279 PolarHBondContact O-N 3.49Å; C275-N388 WeakPolarHBondContact CB-OD1 3.46Å; C275-I392 HydrophobicContact CB-CG2 4.29Å
276K78.6Confident74.5Confident53 Ų5355.3 Ų55.323%0.2330%0.302CS..Hα-helixtrans-61.1-37.1174.6-81.6156.1-176.5168.20112.7D272 L274 I278 G279 C280 V348 D386 N388D272-K276 PolarHBondContact O-N 3.11Å; D272-K276 IonicContact OD1-NZ 3.44Å; D272-K276 PolarHBondContact OD1-NZ 2.93Å; D272-K276 WeakPolarHBondContact OD2-CE 3.37Å; D272-K276 IonicContact OD2-NZ 2.76Å; D272-K276 PolarHBondContact OD2-NZ 3.46Å; L274-K276 PolarHBondContact O-N 3.42Å; K276-I278 VanDerWaalsContact C-N 3.29Å; K276-I278 PolarHBondContact O-N 3.21Å; K276-G279 PolarHBondContact O-N 3.32Å; K276-C280 PolarHBondContact O-N 2.93Å; K276-V348 HydrophobicContact CB-CG1 4.33Å; K276-D386 WeakPolarHBondContact CE-O 3.36Å; K276-D386 PolarHBondContact NZ-O 2.91Å; K276-N388 WeakPolarHBondContact CE-ND2 3.43Å
277T78Confident73.7Confident7 Ų754 Ų544%0.04329%0.292CS..Hα-helixtrans-64.6-35.1178.8-49.50000111.7I273 L274 C275 R281 A295 F345 R352I273-T277 WeakPolarHBondContact O-CB 3.41Å; I273-T277 PolarHBondContact O-N 3.19Å; I273-T277 VanDerWaalsContact O-N 3.14Å; I273-T277 PolarHBondContact O-OG1 2.99Å; L274-T277 WeakPolarHBondContact O-CB 3.33Å; L274-T277 PolarHBondContact O-N 3.36Å; L274-T277 VanDerWaalsContact O-N 3.08Å; C275-T277 VanDerWaalsContact C-N 3.3Å; C275-T277 PolarHBondContact O-N 3.23Å; T277-R281 WeakPolarHBondContact O-CD 3.48Å; T277-R281 WeakPolarHBondContact O-CG 3.48Å; T277-A295 HydrophobicContact CG2-CB 3.8Å; T277-F345 HydrophobicContact CG2-CE2 3.8Å; T277-R352 PolarHBondContact OG1-NH1 2.95Å
278I78.6Confident73.2Confident14 Ų1454.7 Ų54.77%0.07230%0.299CS..Hα-helixtrans-79.6-44.5178.2-63.8157.3000110.7L274 C275 K276 C280 R281 G282 L287 I292 A295 V396L274-I278 WeakPolarHBondContact O-CD1 3.45Å; L274-I278 VanDerWaalsContact O-CG1 3.31Å; L274-I278 WeakPolarHBondContact O-CG1 3.19Å; L274-I278 PolarHBondContact O-N 3.21Å; C275-I278 PolarHBondContact O-N 3.09Å; K276-I278 VanDerWaalsContact C-N 3.29Å; K276-I278 PolarHBondContact O-N 3.21Å; I278-C280 PolarHBondContact O-N 3.12Å; I278-R281 PolarHBondContact O-N 3.23Å; I278-G282 PolarHBondContact O-N 3.02Å; I278-L287 HydrophobicContact CG2-CD2 4.21Å; I278-L287 HydrophobicContact CG2-CG 4.35Å; I278-I292 HydrophobicContact CD1-CG1 3.85Å; I278-A295 HydrophobicContact CG1-CB 4.46Å; I278-V396 HydrophobicContact CD1-CG1 4.03Å; I278-V396 HydrophobicContact CD1-CG2 3.8Å
279G72.8Confident73.1Confident44 Ų4451.9 Ų51.945%0.45428%0.284SS..Hα-helixtrans-59.6-29.8-179.800000114.5C275 K276 R281C275-G279 PolarHBondContact O-N 3.49Å; K276-G279 PolarHBondContact O-N 3.32Å; G279-R281 VanDerWaalsContact C-N 3.35Å
280C70.4Confident72.7Confident42 Ų4251.8 Ų51.828%0.28428%0.283SS..THydrogen-bonded Turntrans-85.11.3173.8-640000114.6K276 I278 P343 F345K276-C280 PolarHBondContact O-N 2.93Å; I278-C280 PolarHBondContact O-N 3.12Å; C280-P343 PolarHBondContact SG-O 2.99Å; C280-F345 HydrophobicContact CB-CB 4.05Å
281R68.3Low72.4Confident85 Ų8553 Ų5332%0.32129%0.291SS..THydrogen-bonded Turntrans-118.1-7.3-173.4-85.8179.4167.4-13325114.8T277 I278 G279 D294 D298 F345T277-R281 WeakPolarHBondContact O-CD 3.48Å; T277-R281 WeakPolarHBondContact O-CG 3.48Å; I278-R281 PolarHBondContact O-N 3.23Å; G279-R281 VanDerWaalsContact C-N 3.35Å; R281-D294 IonicContact CZ-OD2 3.12Å; R281-D294 VanDerWaalsContact CZ-OD2 3.23Å; R281-D294 IonicContact NH1-OD2 2.71Å; R281-D294 PolarHBondContact NH1-OD2 2.68Å; R281-D294 IonicContact NH2-OD2 2.65Å; R281-D294 PolarHBondContact NH2-OD2 2.93Å; R281-D298 IonicContact CZ-OD2 2.75Å; R281-D298 IonicContact NH2-OD1 2.71Å; R281-D298 IonicContact NH2-OD2 3.41Å; R281-D298 PolarHBondContact NH2-OD2 3.35Å; R281-F345 HydrophobicContact CG-CD2 3.78Å; R281-F345 HydrophobicContact CG-CE2 4.23Å; R281-F345 HydrophobicContact CG-CG 4.21Å
282G57.1Low72.3Confident42 Ų4253 Ų5343%0.43329%0.291SS..SBendtrans176.7170.7176.600000113.6I278I278-G282 PolarHBondContact O-N 3.02Å
283E55.9Low72.3Confident163 Ų16356 Ų5676%0.76230%0.299SS*.  trans-68138.1173.2-65.7-178.6154.500110.3E285 T286E283-E285 PolarHBondContact O-N 3.2Å; E283-E285 VanDerWaalsContact O-N 3.08Å; E283-T286 PolarHBondContact O-N 3.22Å
284I54.7Low72.3Confident76 Ų7656.9 Ų56.939%0.3930%0.304SS..G310 helixtrans-65.1-19-170.1-63.9166.5000112.2T286 I392I284-T286 VanDerWaalsContact C-N 3.28Å; I284-T286 PolarHBondContact O-N 3.05Å; I284-I392 HydrophobicContact CD1-CD1 3.74Å; I284-I392 HydrophobicContact CD1-CG1 4.34Å
285E51.2Low72.2Confident187 Ų18756.8 Ų56.887%0.87430%0.304SS*.G310 helixtrans-68.3-20.1-177.2-54.5-164160.600113.9E283E283-E285 PolarHBondContact O-N 3.2Å; E283-E285 VanDerWaalsContact O-N 3.08Å
286T55.9Low72.4Confident82 Ų8257.5 Ų57.550%0.50331%0.307SS..G310 helixtrans-115.542.1-17853.90000113.7E283 I284 S288E283-T286 PolarHBondContact O-N 3.22Å; I284-T286 VanDerWaalsContact C-N 3.28Å; I284-T286 PolarHBondContact O-N 3.05Å; T286-S288 PolarHBondContact O-N 3Å
287L69.9Low72.7Confident34 Ų3457.9 Ų57.918%0.17831%0.308CS..  trans-63.984.4-173.9-137.6174.5000114.1I278 I292 Q395 V396I278-L287 HydrophobicContact CG2-CD2 4.21Å; I278-L287 HydrophobicContact CG2-CG 4.35Å; L287-I292 HydrophobicContact CD2-CD1 3.86Å; L287-I292 HydrophobicContact CD2-CG1 4.04Å; L287-Q395 HydrophobicContact CD1-CB 4.1Å; L287-V396 HydrophobicContact CD1-CG2 4.13Å; L287-V396 HydrophobicContact CD2-CG2 4.32Å
288S75.4Confident73Confident49 Ų4958.1 Ų58.134%0.34331%0.309SS..  trans-84.5149.5-174.290.90000114.5T286 E290 L291 I292T286-S288 PolarHBondContact O-N 3Å; S288-E290 PolarHBondContact O-N 3.28Å; S288-E290 PolarHBondContact OG-N 3.42Å; S288-L291 PolarHBondContact O-N 2.89Å; S288-L291 WeakPolarHBondContact OG-CG 3.28Å; S288-L291 PolarHBondContact OG-N 3.41Å; S288-I292 PolarHBondContact O-N 2.91Å
289A80.4Confident73.4Confident13 Ų1358.2 Ų58.211%0.10731%0.31CS..Hα-helixtrans-64.8-18177.400000113.9R293 V399 H403A289-R293 WeakPolarHBondContact O-CB 3.4Å; A289-R293 PolarHBondContact O-N 3.37Å; A289-R293 VanDerWaalsContact O-N 3.13Å; A289-V399 HydrophobicContact CB-CG1 4.15Å; A289-H403 HydrophobicContact CB-CB 4.02Å
290E75.9Confident74Confident91 Ų9156.6 Ų56.643%0.42529%0.292SS..Hα-helixtrans-85.6-35.5179.6-73.9174.9-15900112.4P60 S288 I292 R293 D294P60-E290 WeakPolarHBondContact CG-OE1 3.35Å; P60-E290 VanDerWaalsContact CG-OE2 3.31Å; P60-E290 WeakPolarHBondContact CG-OE2 3.26Å; S288-E290 PolarHBondContact O-N 3.28Å; S288-E290 PolarHBondContact OG-N 3.42Å; E290-I292 VanDerWaalsContact C-N 3.3Å; E290-I292 PolarHBondContact O-N 2.98Å; E290-R293 PolarHBondContact O-N 2.67Å; E290-R293 VanDerWaalsContact O-N 3.16Å; E290-D294 PolarHBondContact O-N 3.27Å
291L79.9Confident74.8Confident56 Ų5654.9 Ų54.929%0.29328%0.28SS..Hα-helixtrans-60.4-42.3169.1-70.1170000110.9S288 D294 A295S288-L291 PolarHBondContact O-N 2.89Å; S288-L291 WeakPolarHBondContact OG-CG 3.28Å; S288-L291 PolarHBondContact OG-N 3.41Å; L291-D294 PolarHBondContact O-N 2.86Å; L291-A295 WeakPolarHBondContact O-CB 3.39Å; L291-A295 PolarHBondContact O-N 3.1Å
292I83.8Confident75.6Confident0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-64.2-41.3173.8-56.2179.9000111I278 L287 S288 E290 A295 Q296 V396 V399 I400 L405I278-I292 HydrophobicContact CD1-CG1 3.85Å; L287-I292 HydrophobicContact CD2-CD1 3.86Å; L287-I292 HydrophobicContact CD2-CG1 4.04Å; S288-I292 PolarHBondContact O-N 2.91Å; E290-I292 VanDerWaalsContact C-N 3.3Å; E290-I292 PolarHBondContact O-N 2.98Å; I292-A295 PolarHBondContact O-N 3.22Å; I292-Q296 HydrophobicContact CG2-CG 4.43Å; I292-Q296 WeakPolarHBondContact O-CB 3.5Å; I292-Q296 WeakPolarHBondContact O-CG 3.27Å; I292-Q296 PolarHBondContact O-N 3.25Å; I292-V396 HydrophobicContact CD1-CG1 4.35Å; I292-V399 HydrophobicContact CD1-CB 3.63Å; I292-V399 HydrophobicContact CD1-CG1 3.51Å; I292-I400 HydrophobicContact CD1-CG1 4.43Å; I292-I400 HydrophobicContact CG2-CD1 4.1Å; I292-I400 HydrophobicContact CG2-CG1 3.69Å; I292-L405 HydrophobicContact CB-CD1 3.85Å; I292-L405 HydrophobicContact CG2-CD1 3.66Å
293R83.3Confident77Confident108 Ų10849.4 Ų49.441%0.40825%0.248SC..Hα-helixtrans-66.1-38.8179.5-167.6-176.3-63.9137.81.1112.4A289 E290 Q296 K297A289-R293 WeakPolarHBondContact O-CB 3.4Å; A289-R293 PolarHBondContact O-N 3.37Å; A289-R293 VanDerWaalsContact O-N 3.13Å; E290-R293 PolarHBondContact O-N 2.67Å; E290-R293 VanDerWaalsContact O-N 3.16Å; R293-Q296 PolarHBondContact O-N 3.29Å; R293-K297 WeakPolarHBondContact O-CG 3.47Å; R293-K297 PolarHBondContact O-N 2.89Å
294D79.6Confident78.4Confident45 Ų4542.2 Ų42.224%0.24122%0.216CC..Hα-helixtrans-68.8-41.6173.4-169.449.2000111.5K170 R281 E290 L291 Q296 K297 D298K170-D294 IonicContact NZ-OD1 2.85Å; K170-D294 PolarHBondContact NZ-OD1 3.16Å; K170-D294 IonicContact NZ-OD2 2.79Å; K170-D294 PolarHBondContact NZ-OD2 3.44Å; R281-D294 IonicContact CZ-OD2 3.12Å; R281-D294 VanDerWaalsContact CZ-OD2 3.23Å; R281-D294 IonicContact NH1-OD2 2.71Å; R281-D294 PolarHBondContact NH1-OD2 2.68Å; R281-D294 IonicContact NH2-OD2 2.65Å; R281-D294 PolarHBondContact NH2-OD2 2.93Å; E290-D294 PolarHBondContact O-N 3.27Å; L291-D294 PolarHBondContact O-N 2.86Å; D294-Q296 VanDerWaalsContact C-N 3.31Å; D294-Q296 PolarHBondContact O-N 3.19Å; D294-K297 CarbonylContact O-C 3.58Å; D294-K297 WeakPolarHBondContact O-CA 3.16Å; D294-K297 PolarHBondContact O-N 2.93Å; D294-D298 PolarHBondContact O-N 3.48Å
295A84Confident79.9Confident1 Ų140.7 Ų40.71%0.00821%0.21CC..Hα-helixtrans-62.4-35174.200000112.9L274 T277 I278 L291 I292 L299L274-A295 HydrophobicContact CD2-CB 3.64Å; T277-A295 HydrophobicContact CG2-CB 3.8Å; I278-A295 HydrophobicContact CG1-CB 4.46Å; L291-A295 WeakPolarHBondContact O-CB 3.39Å; L291-A295 PolarHBondContact O-N 3.1Å; I292-A295 PolarHBondContact O-N 3.22Å; A295-L299 WeakPolarHBondContact O-CB 3.36Å; A295-L299 PolarHBondContact O-N 3.27Å
296Q86.4Confident81.6Confident16 Ų1632.3 Ų32.38%0.07517%0.173CC..Hα-helixtrans-65.9-40.3170.3-76.7-174.7-27.100111.4L274 I292 R293 D294 L299 S300 Q406L274-Q296 HydrophobicContact CD1-CG 4.06Å; L274-Q296 HydrophobicContact CD2-CG 3.91Å; I292-Q296 HydrophobicContact CG2-CG 4.43Å; I292-Q296 WeakPolarHBondContact O-CB 3.5Å; I292-Q296 WeakPolarHBondContact O-CG 3.27Å; I292-Q296 PolarHBondContact O-N 3.25Å; R293-Q296 PolarHBondContact O-N 3.29Å; D294-Q296 VanDerWaalsContact C-N 3.31Å; D294-Q296 PolarHBondContact O-N 3.19Å; Q296-L299 PolarHBondContact O-N 2.97Å; Q296-S300 VanDerWaalsContact O-CB 3.28Å; Q296-S300 WeakPolarHBondContact O-CB 3.41Å; Q296-S300 PolarHBondContact O-N 3.45Å; Q296-Q406 PolarHBondContact NE2-O 3.49Å
297K85Confident82.8Confident60 Ų6034 Ų3426%0.26117%0.17SC..Hα-helixtrans-67.3-46.8176.4-72.9-172176.6-160.40112.3E174 R293 D294 L299 S300 A301E174-K297 IonicContact OE1-NZ 3.1Å; E174-K297 PolarHBondContact OE1-NZ 3.48Å; E174-K297 VanDerWaalsContact OE1-NZ 3.08Å; E174-K297 IonicContact OE2-NZ 3.49Å; E174-K297 PolarHBondContact OE2-NZ 3.06Å; R293-K297 WeakPolarHBondContact O-CG 3.47Å; R293-K297 PolarHBondContact O-N 2.89Å; D294-K297 CarbonylContact O-C 3.58Å; D294-K297 WeakPolarHBondContact O-CA 3.16Å; D294-K297 PolarHBondContact O-N 2.93Å; K297-L299 VanDerWaalsContact C-N 3.35Å; K297-L299 PolarHBondContact O-N 2.72Å; K297-S300 PolarHBondContact O-N 2.99Å; K297-S300 PolarHBondContact O-OG 3.41Å; K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.3Å
298D85.1Confident83.6Confident12 Ų1233.2 Ų33.26%0.06417%0.165CC..Hα-helixtrans-48.4-54169.6-90.9-14.4000111.4W166 K170 R281 D294 S300 A301 S302 F345W166-D298 PolarHBondContact NE1-OD1 2.95Å; K170-D298 WeakPolarHBondContact CE-OD1 3.39Å; K170-D298 IonicContact NZ-OD1 3.79Å; R281-D298 IonicContact CZ-OD2 2.75Å; R281-D298 IonicContact NH2-OD1 2.71Å; R281-D298 IonicContact NH2-OD2 3.41Å; R281-D298 PolarHBondContact NH2-OD2 3.35Å; D294-D298 PolarHBondContact O-N 3.48Å; D298-S300 PolarHBondContact O-N 3.01Å; D298-A301 PolarHBondContact O-N 2.85Å; D298-S302 PolarHBondContact O-N 2.95Å; D298-F345 WeakPolarHBondContact OD2-CZ 3.39Å
299L86.8Confident83.8Confident17 Ų1735.7 Ų35.79%0.08917%0.171CC..Hα-helixtrans-61.3-47.6-179.1179.852.3000111K270 I273 A295 Q296 K297 A301 S302 L303K270-L299 HydrophobicContact CB-CD2 4.41Å; K270-L299 HydrophobicContact CG-CD2 4.27Å; I273-L299 HydrophobicContact CB-CD2 4.37Å; I273-L299 HydrophobicContact CD1-CD1 4.31Å; I273-L299 HydrophobicContact CG2-CD1 3.72Å; I273-L299 HydrophobicContact CG2-CD2 3.8Å; I273-L299 HydrophobicContact CG2-CG 4.26Å; A295-L299 WeakPolarHBondContact O-CB 3.36Å; A295-L299 PolarHBondContact O-N 3.27Å; Q296-L299 PolarHBondContact O-N 2.97Å; K297-L299 VanDerWaalsContact C-N 3.35Å; K297-L299 PolarHBondContact O-N 2.72Å; L299-A301 VanDerWaalsContact C-N 3.3Å; L299-A301 PolarHBondContact O-N 2.93Å; L299-S302 PolarHBondContact O-N 3.02Å; L299-S302 VanDerWaalsContact O-N 3.11Å; L299-S302 PolarHBondContact O-OG 2.91Å; L299-L303 HydrophobicContact CD1-CD1 3.52Å; L299-L303 HydrophobicContact CD1-CG 4.06Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 WeakPolarHBondContact O-CG 3.5Å; L299-L303 PolarHBondContact O-N 2.88Å
300S85.3Confident83.7Confident10 Ų1036.5 Ų36.57%0.0718%0.175CC..Hα-helixtrans-61.1-38.1-179.887.10000112.6Q296 K297 D298 S302 L303 S304Q296-S300 VanDerWaalsContact O-CB 3.28Å; Q296-S300 WeakPolarHBondContact O-CB 3.41Å; Q296-S300 PolarHBondContact O-N 3.45Å; K297-S300 PolarHBondContact O-N 2.99Å; K297-S300 PolarHBondContact O-OG 3.41Å; D298-S300 PolarHBondContact O-N 3.01Å; S300-S302 VanDerWaalsContact C-N 3.28Å; S300-S302 PolarHBondContact O-N 3.26Å; S300-L303 PolarHBondContact O-N 2.67Å; S300-S304 WeakPolarHBondContact O-CB 3.37Å; S300-S304 PolarHBondContact O-N 3.45Å; S300-S304 VanDerWaalsContact O-N 3.12Å; S300-S304 PolarHBondContact O-OG 3.45Å
301A86.3Confident83.4Confident5 Ų535.4 Ų35.44%0.04119%0.189CC..Hα-helixtrans-65.2-32177.300000112.1W166 K170 T255 K297 D298 L299W166-A301 HydrophobicContact CH2-CB 3.55Å; W166-A301 HydrophobicContact CZ2-CB 3.68Å; W166-A301 HydrophobicContact CZ3-CB 4.23Å; K170-A301 HydrophobicContact CG-CB 4.28Å; T255-A301 WeakPolarHBondContact CG2-O 3.36Å; K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.3Å; D298-A301 PolarHBondContact O-N 2.85Å; L299-A301 VanDerWaalsContact C-N 3.3Å; L299-A301 PolarHBondContact O-N 2.93Å
302S86.6Confident83.3Confident4 Ų437 Ų373%0.02820%0.2CC..THydrogen-bonded Turntrans-84.9-5.5179730000115.4Y254 D298 L299 S300 R356Y254-S302 WeakPolarHBondContact CD1-O 3.39Å; Y254-S302 WeakPolarHBondContact CE1-O 3.28Å; D298-S302 PolarHBondContact O-N 2.95Å; L299-S302 PolarHBondContact O-N 3.02Å; L299-S302 VanDerWaalsContact O-N 3.11Å; L299-S302 PolarHBondContact O-OG 2.91Å; S300-S302 VanDerWaalsContact C-N 3.28Å; S300-S302 PolarHBondContact O-N 3.26Å; S302-R356 VanDerWaalsContact CB-CZ 3.5Å; S302-R356 PolarHBondContact OG-NH1 3.26Å
303L85.8Confident83.3Confident8 Ų837.4 Ų37.44%0.04220%0.202CC..THydrogen-bonded Turntrans-123.3-7.4-175.8-64.3176.2000114.1I259 E262 V263 L265 L299 S300I259-L303 WeakPolarHBondContact CD1-O 3.35Å; E262-L303 WeakPolarHBondContact CA-O 3.31Å; V263-L303 HydrophobicContact CB-CB 4.42Å; V263-L303 HydrophobicContact CB-CD2 4.22Å; V263-L303 HydrophobicContact CG1-CD2 4.42Å; V263-L303 PolarHBondContact N-O 3.08Å; L265-L303 HydrophobicContact CD1-CD1 3.64Å; L265-L303 HydrophobicContact CD1-CD2 4.21Å; L265-L303 HydrophobicContact CG-CD1 3.87Å; L265-L303 HydrophobicContact CG-CD2 4.39Å; L299-L303 HydrophobicContact CD1-CD1 3.52Å; L299-L303 HydrophobicContact CD1-CG 4.06Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 WeakPolarHBondContact O-CG 3.5Å; L299-L303 PolarHBondContact O-N 2.88Å; S300-L303 PolarHBondContact O-N 2.67Å
304S86.3Confident83.4Confident13 Ų1339.2 Ų39.29%0.09121%0.213CC..SBendtrans-103.9143.2-178.8-52.20000110.5R172 T255 S300 S306R172-S304 PolarHBondContact NH1-OG 3.08Å; R172-S304 PolarHBondContact NH2-OG 2.99Å; T255-S304 WeakPolarHBondContact CB-O 3.26Å; T255-S304 WeakPolarHBondContact CG2-O 3.32Å; S300-S304 WeakPolarHBondContact O-CB 3.37Å; S300-S304 PolarHBondContact O-N 3.45Å; S300-S304 VanDerWaalsContact O-N 3.12Å; S300-S304 PolarHBondContact O-OG 3.45Å; S304-S306 PolarHBondContact O-N 3.05Å
305P85.6Confident83.7Confident43 Ų4339.3 Ų39.328%0.27921%0.213SC..PPolyproline II helixtrans-55.6133.4169.8-25.234.8000111.2T255 I259T255-P305 CarbonylContact O-C 3.57Å; T255-P305 WeakPolarHBondContact O-CA 3.38Å; I259-P305 HydrophobicContact CD1-CG 4.4Å; I259-P305 HydrophobicContact CG1-CG 4.45Å
306S86.4Confident83.7Confident11 Ų1141.6 Ų41.68%0.07723%0.23CC..PPolyproline II helixtrans-62141.2175.4178.60000109.9W169 T255 S256 S304 F308 Q309W169-S306 WeakPolarHBondContact CZ2-OG 3.44Å; T255-S306 PolarHBondContact O-N 2.67Å; S256-S306 VanDerWaalsContact OG-CB 3.24Å; S256-S306 WeakPolarHBondContact OG-CB 3.33Å; S304-S306 PolarHBondContact O-N 3.05Å; S306-F308 PolarHBondContact O-N 2.98Å; S306-F308 PolarHBondContact OG-N 2.75Å; S306-Q309 WeakPolarHBondContact O-CG 3.4Å; S306-Q309 PolarHBondContact O-NE2 3.18Å
307R81.8Confident83.6Confident118 Ų11844.7 Ų44.745%0.44524%0.244SC..SBendtrans-71.3-16.3167.360.5151.7-179.1-68.9-38.5112.9L130 L168 V171 Q309L130-R307 VanDerWaalsContact CD2-NH2 3.3Å; L168-R307 PolarHBondContact O-NH2 2.95Å; V171-R307 PolarHBondContact O-NH1 3.47Å; R307-Q309 PolarHBondContact O-N 2.96Å
308F85.2Confident83.8Confident18 Ų1841.8 Ų41.88%0.07923%0.232CC..SBendtrans-91.465.2174-53.9-56.4000108.4L130 I137 L168 W169 I221 S306L130-F308 HydrophobicContact CD2-CE1 4.45Å; L130-F308 HydrophobicContact CD2-CZ 3.73Å; I137-F308 HydrophobicContact CD1-CE1 4.28Å; L168-F308 HydrophobicContact CB-CE2 4.15Å; W169-F308 AromaticContact CE3-CD2 3.95Å; W169-F308 HydrophobicContact CE3-CD2 3.95Å; W169-F308 HydrophobicContact CE3-CE2 4.13Å; W169-F308 HydrophobicContact CH2-CB 4.23Å; W169-F308 AromaticContact CH2-CD2 3.61Å; W169-F308 HydrophobicContact CH2-CD2 3.61Å; W169-F308 HydrophobicContact CH2-CE2 4.42Å; W169-F308 HydrophobicContact CH2-CG 4.38Å; W169-F308 HydrophobicContact CZ2-CD2 4.25Å; W169-F308 AromaticContact CZ3-CD2 3.43Å; W169-F308 HydrophobicContact CZ3-CD2 3.43Å; W169-F308 VanDerWaalsContact CZ3-CD2 3.43Å; W169-F308 AromaticContact CZ3-CE2 3.8Å; W169-F308 HydrophobicContact CZ3-CE2 3.8Å; I221-F308 HydrophobicContact CB-CD1 4.19Å; I221-F308 HydrophobicContact CB-CG 4.33Å; I221-F308 HydrophobicContact CD1-CD1 3.61Å; I221-F308 HydrophobicContact CD1-CE1 3.49Å; I221-F308 VanDerWaalsContact CD1-CE1 3.49Å; I221-F308 HydrophobicContact CD1-CZ 4.33Å; I221-F308 HydrophobicContact CG1-CD1 4.5Å; I221-F308 HydrophobicContact CG2-CD1 4.12Å; I221-F308 HydrophobicContact CG2-CD2 4.15Å; I221-F308 HydrophobicContact CG2-CE1 4.24Å; I221-F308 HydrophobicContact CG2-CE2 4.23Å; I221-F308 HydrophobicContact CG2-CG 4.05Å; I221-F308 HydrophobicContact CG2-CZ 4.27Å; S306-F308 PolarHBondContact O-N 2.98Å; S306-F308 PolarHBondContact OG-N 2.75Å
309Q79.7Confident83.8Confident100 Ų10041.3 Ų41.347%0.46723%0.229SC..  trans-67.3132.5173.5-70.1-65.3-50.500109.1T255 S256 S306 R307 G311T255-Q309 PolarHBondContact O-NE2 3.46Å; S256-Q309 PolarHBondContact O-OE1 3.03Å; S306-Q309 WeakPolarHBondContact O-CG 3.4Å; S306-Q309 PolarHBondContact O-NE2 3.18Å; R307-Q309 PolarHBondContact O-N 2.96Å; Q309-G311 PolarHBondContact O-N 2.87Å
310P78.7Confident83.9Confident31 Ų3145.1 Ų45.120%0.20125%0.245CC..  trans-72.9125-171.426.7-30.6000110.4D220 S256 F257 M313D220-P310 WeakPolarHBondContact OD2-CA 3.39Å; D220-P310 WeakPolarHBondContact OD2-CB 3.47Å; S256-P310 WeakPolarHBondContact O-CD 3.47Å; S256-P310 WeakPolarHBondContact O-CG 3.37Å; F257-P310 HydrophobicContact CD1-CG 3.68Å; F257-P310 HydrophobicContact CD2-CG 4.44Å; F257-P310 HydrophobicContact CE1-CB 3.85Å; F257-P310 HydrophobicContact CE1-CG 3.28Å; F257-P310 HydrophobicContact CE2-CB 4.48Å; F257-P310 HydrophobicContact CE2-CG 4.11Å; F257-P310 HydrophobicContact CG-CG 4.25Å; F257-P310 HydrophobicContact CZ-CB 3.74Å; F257-P310 HydrophobicContact CZ-CG 3.54Å; P310-M313 HydrophobicContact CB-CB 4.32Å
311G70.4Confident84.1Confident68 Ų6845 Ų4570%0.70124%0.243SC*.SBendtrans-100.2-19.9-175.900000113.7D220 Q309D220-G311 PolarHBondContact OD2-N 3.49Å; Q309-G311 PolarHBondContact O-N 2.87Å
312T77Confident84.3Confident88 Ų8844.8 Ų44.854%0.5424%0.241SC..SBendtrans-135.9-31.1-178.658.10000112.9D220D220-T312 WeakPolarHBondContact CB-OG1 3.4Å; D220-T312 PolarHBondContact OD2-N 3.13Å
313M84.6Confident84.3Confident9 Ų945.7 Ų45.74%0.04425%0.247CC..  trans-71.6143.1178.1-162.8-180-167.500111.7D220 H223 F226 F257 P310 E317 A318 I321D220-M313 PolarHBondContact OD2-N 3.16Å; H223-M313 HydrophobicContact CB-CB 4.25Å; H223-M313 HydrophobicContact CB-CG 4.37Å; H223-M313 HydrophobicContact CB-SD 3.94Å; F226-M313 HydrophobicContact CB-CE 4.25Å; F226-M313 HydrophobicContact CD2-CE 3.75Å; F226-M313 HydrophobicContact CD2-SD 3.87Å; F226-M313 HydrophobicContact CE2-SD 4.5Å; F226-M313 HydrophobicContact CG-CE 4.37Å; F257-M313 HydrophobicContact CZ-CB 4.38Å; F257-M313 HydrophobicContact CZ-CG 4.36Å; P310-M313 HydrophobicContact CB-CB 4.32Å; M313-E317 HydrophobicContact CE-CG 4.03Å; M313-E317 HydrophobicContact CG-CG 4.4Å; M313-E317 WeakPolarHBondContact CG-OE2 3.36Å; M313-A318 HydrophobicContact CE-CB 3.93Å; M313-A318 HydrophobicContact SD-CB 4.34Å; M313-I321 HydrophobicContact CE-CD1 3.72Å
314K85.9Confident84.5Confident147 Ų14748.7 Ų48.764%0.63926%0.263SS*.  trans-102151.3176.9-67.7-177.4179.71800112.5S316 E317 A318K314-S316 VanDerWaalsContact C-N 3.28Å; K314-S316 PolarHBondContact O-N 3.48Å; K314-E317 HydrophobicContact CB-CB 4.45Å; K314-E317 PolarHBondContact N-OE2 3.29Å; K314-E317 WeakPolarHBondContact O-CB 3.4Å; K314-E317 PolarHBondContact O-N 3.38Å; K314-A318 PolarHBondContact O-N 3.35Å
315L85.2Confident84.6Confident46 Ų4648.2 Ų48.224%0.24126%0.259CS..Hα-helixtrans-55.4-41.9176.4173.358000112.2L253 F257 L258 E317 A318 L319L253-L315 HydrophobicContact CD1-CD1 4.13Å; L253-L315 HydrophobicContact CD2-CD1 4.18Å; L253-L315 HydrophobicContact CG-CD1 4.18Å; F257-L315 HydrophobicContact CB-CB 4.47Å; F257-L315 HydrophobicContact CB-CD1 3.78Å; F257-L315 HydrophobicContact CD1-CB 3.8Å; F257-L315 HydrophobicContact CD1-CD1 4.47Å; F257-L315 HydrophobicContact CD2-CD1 4.29Å; F257-L315 HydrophobicContact CE1-CB 4.17Å; F257-L315 HydrophobicContact CG-CB 4.19Å; F257-L315 HydrophobicContact CG-CD1 3.97Å; L258-L315 HydrophobicContact CD2-CD1 4.26Å; L258-L315 HydrophobicContact CD2-CD2 4.02Å; L315-E317 VanDerWaalsContact C-N 3.32Å; L315-E317 PolarHBondContact O-N 2.81Å; L315-A318 PolarHBondContact O-N 3.47Å; L315-L319 HydrophobicContact CD1-CD1 3.97Å; L315-L319 HydrophobicContact CD1-CD2 4.38Å; L315-L319 HydrophobicContact CD1-CG 3.83Å; L315-L319 HydrophobicContact CG-CD1 3.85Å; L315-L319 HydrophobicContact CG-CG 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.31Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.72Å
316S83Confident84.7Confident50 Ų5046.2 Ų46.235%0.3525%0.246SC..Hα-helixtrans-59.6-40.8176.4590000112.7K314 L319 K320K314-S316 VanDerWaalsContact C-N 3.28Å; K314-S316 PolarHBondContact O-N 3.48Å; S316-L319 PolarHBondContact O-N 3.46Å; S316-K320 VanDerWaalsContact O-CB 3.27Å; S316-K320 WeakPolarHBondContact O-CB 3.34Å; S316-K320 PolarHBondContact O-N 3.09Å
317E86.3Confident84.7Confident80 Ų8049.2 Ų49.237%0.37426%0.259SS..Hα-helixtrans-66.7-40.1178.1-176.9174-142.800111.8M313 K314 L315 I321M313-E317 HydrophobicContact CE-CG 4.03Å; M313-E317 HydrophobicContact CG-CG 4.4Å; M313-E317 WeakPolarHBondContact CG-OE2 3.36Å; K314-E317 HydrophobicContact CB-CB 4.45Å; K314-E317 PolarHBondContact N-OE2 3.29Å; K314-E317 WeakPolarHBondContact O-CB 3.4Å; K314-E317 PolarHBondContact O-N 3.38Å; L315-E317 VanDerWaalsContact C-N 3.32Å; L315-E317 PolarHBondContact O-N 2.81Å; E317-I321 WeakPolarHBondContact O-CG1 3.33Å; E317-I321 PolarHBondContact O-N 3.33Å; E317-I321 VanDerWaalsContact O-N 3.08Å
318A87.3Confident85.1Confident0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-67.8-45.417400000112.3F226 L253 F257 M313 K314 L315 K320 I321 I322F226-A318 HydrophobicContact CD2-CB 4.43Å; F226-A318 HydrophobicContact CE2-CB 3.98Å; L253-A318 HydrophobicContact CD1-CB 3.92Å; F257-A318 HydrophobicContact CD2-CB 4.35Å; F257-A318 HydrophobicContact CE2-CB 3.63Å; F257-A318 HydrophobicContact CZ-CB 4.14Å; M313-A318 HydrophobicContact CE-CB 3.93Å; M313-A318 HydrophobicContact SD-CB 4.34Å; K314-A318 PolarHBondContact O-N 3.35Å; L315-A318 PolarHBondContact O-N 3.47Å; A318-K320 VanDerWaalsContact C-N 3.31Å; A318-K320 PolarHBondContact O-N 3.19Å; A318-I321 PolarHBondContact O-N 3.43Å; A318-I322 WeakPolarHBondContact O-CG1 3.03Å; A318-I322 PolarHBondContact O-N 2.96Å
319L86.9Confident85.3Confident1 Ų146.1 Ų46.11%0.00525%0.249CC..Hα-helixtrans-57-45.2174-73.6169.2000111.2L253 L315 S316 I322 T323 L361 T371 L374L253-L319 HydrophobicContact CD1-CD2 3.82Å; L253-L319 HydrophobicContact CD1-CG 4.08Å; L253-L319 HydrophobicContact CD2-CD2 4.41Å; L315-L319 HydrophobicContact CD1-CD1 3.97Å; L315-L319 HydrophobicContact CD1-CD2 4.38Å; L315-L319 HydrophobicContact CD1-CG 3.83Å; L315-L319 HydrophobicContact CG-CD1 3.85Å; L315-L319 HydrophobicContact CG-CG 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.31Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.72Å; S316-L319 PolarHBondContact O-N 3.46Å; L319-I322 PolarHBondContact O-N 3.2Å; L319-T323 WeakPolarHBondContact O-CB 3.4Å; L319-T323 PolarHBondContact O-N 3.08Å; L319-T323 PolarHBondContact O-OG1 3.18Å; L319-L361 HydrophobicContact CD2-CD1 4.28Å; L319-L361 HydrophobicContact CD2-CD2 4.43Å; L319-T371 HydrophobicContact CD1-CG2 3.61Å; L319-L374 HydrophobicContact CD2-CD2 3.59Å
320K88.1Confident85.6Confident97 Ų9745.2 Ų45.242%0.42224%0.244SC..Hα-helixtrans-59.7-48.7177.5-168.7-169.5-159.284.70111.8S316 A318 I322 T323 D324 E370S316-K320 VanDerWaalsContact O-CB 3.27Å; S316-K320 WeakPolarHBondContact O-CB 3.34Å; S316-K320 PolarHBondContact O-N 3.09Å; A318-K320 VanDerWaalsContact C-N 3.31Å; A318-K320 PolarHBondContact O-N 3.19Å; K320-I322 PolarHBondContact O-N 2.68Å; K320-T323 PolarHBondContact O-N 3.3Å; K320-D324 PolarHBondContact O-N 3.12Å; K320-E370 IonicContact NZ-OE1 3.08Å; K320-E370 PolarHBondContact NZ-OE1 3.45Å
321I88.7Confident85.9Confident8 Ų849.6 Ų49.64%0.04127%0.265CS..Hα-helixtrans-60.2-46.2178.4-68.4167.6000110.6F226 K230 M313 E317 A318 T323 D324 L325F226-I321 HydrophobicContact CB-CD1 4.22Å; F226-I321 HydrophobicContact CB-CG2 4.25Å; F226-I321 HydrophobicContact CD1-CG2 4.49Å; K230-I321 HydrophobicContact CB-CG2 4.44Å; K230-I321 HydrophobicContact CD-CG1 4.35Å; K230-I321 HydrophobicContact CD-CG2 4.32Å; M313-I321 HydrophobicContact CE-CD1 3.72Å; E317-I321 WeakPolarHBondContact O-CG1 3.33Å; E317-I321 PolarHBondContact O-N 3.33Å; E317-I321 VanDerWaalsContact O-N 3.08Å; A318-I321 PolarHBondContact O-N 3.43Å; I321-T323 VanDerWaalsContact C-N 3.3Å; I321-T323 PolarHBondContact O-N 3.43Å; I321-D324 PolarHBondContact O-N 3.18Å; I321-L325 HydrophobicContact CG2-CD1 4.01Å; I321-L325 HydrophobicContact CG2-CG 4.32Å; I321-L325 WeakPolarHBondContact O-CB 3.42Å; I321-L325 WeakPolarHBondContact O-CG 3.06Å; I321-L325 PolarHBondContact O-N 3.08Å
322I90.2Very high86.6Confident0 Ų050.4 Ų50.40%025%0.25CC..Hα-helixtrans-65.2-34.2178-63.2-178.8000111.9F226 S249 L250 L253 A318 L319 K320 L325 A326 L374F226-I322 HydrophobicContact CD1-CG1 4.47Å; F226-I322 HydrophobicContact CE1-CD1 3.75Å; F226-I322 HydrophobicContact CE1-CG1 3.84Å; F226-I322 HydrophobicContact CZ-CD1 3.88Å; F226-I322 HydrophobicContact CZ-CG1 4.35Å; S249-I322 WeakPolarHBondContact O-CD1 3.34Å; L250-I322 HydrophobicContact CD2-CG2 4.03Å; L253-I322 HydrophobicContact CB-CD1 3.86Å; L253-I322 HydrophobicContact CD1-CD1 3.76Å; L253-I322 HydrophobicContact CG-CD1 4.43Å; A318-I322 WeakPolarHBondContact O-CG1 3.03Å; A318-I322 PolarHBondContact O-N 2.96Å; L319-I322 PolarHBondContact O-N 3.2Å; K320-I322 PolarHBondContact O-N 2.68Å; I322-L325 PolarHBondContact O-N 3.39Å; I322-A326 VanDerWaalsContact O-CB 3.27Å; I322-A326 WeakPolarHBondContact O-CB 3.45Å; I322-A326 PolarHBondContact O-N 3.38Å; I322-L374 HydrophobicContact CG2-CD1 4.02Å; I322-L374 HydrophobicContact CG2-CD2 4.25Å
323T87.6Confident86.8Confident24 Ų2448.3 Ų48.315%0.14725%0.245CC..Hα-helixtrans-67.9-46.4176-51.80000111.5L319 K320 I321 L325 A326 Q327 A373 L377L319-T323 WeakPolarHBondContact O-CB 3.4Å; L319-T323 PolarHBondContact O-N 3.08Å; L319-T323 PolarHBondContact O-OG1 3.18Å; K320-T323 PolarHBondContact O-N 3.3Å; I321-T323 VanDerWaalsContact C-N 3.3Å; I321-T323 PolarHBondContact O-N 3.43Å; T323-L325 VanDerWaalsContact C-N 3.33Å; T323-L325 PolarHBondContact O-N 3.32Å; T323-A326 PolarHBondContact O-N 3.39Å; T323-Q327 VanDerWaalsContact O-CB 3.29Å; T323-Q327 WeakPolarHBondContact O-CB 3.25Å; T323-Q327 PolarHBondContact O-N 3.38Å; T323-A373 HydrophobicContact CG2-CB 4.3Å; T323-L377 HydrophobicContact CG2-CD2 4.42Å
324D88.9Confident86.8Confident71 Ų7149 Ų4938%0.3825%0.249SC..Hα-helixtrans-55.6-47.9173.7-69.5-14.2000110.5K230 K320 I321 F328K230-D324 IonicContact NZ-OD2 2.66Å; K230-D324 PolarHBondContact NZ-OD2 3.14Å; K320-D324 PolarHBondContact O-N 3.12Å; I321-D324 PolarHBondContact O-N 3.18Å; D324-F328 VanDerWaalsContact O-CB 3.24Å; D324-F328 WeakPolarHBondContact O-CB 3.37Å; D324-F328 PolarHBondContact O-N 3Å
325L89.5Confident86.4Confident2 Ų243 Ų431%0.0122%0.224CC..Hα-helixtrans-59.8-54.1178.5-72.6174.8000112.2L229 T233 I321 I322 T323 Q327 F328 W329L229-L325 HydrophobicContact CD2-CD1 3.9Å; L229-L325 HydrophobicContact CG-CD1 4.2Å; L229-L325 HydrophobicContact CG-CD2 4.5Å; T233-L325 HydrophobicContact CG2-CD2 3.18Å; I321-L325 HydrophobicContact CG2-CD1 4.01Å; I321-L325 HydrophobicContact CG2-CG 4.32Å; I321-L325 WeakPolarHBondContact O-CB 3.42Å; I321-L325 WeakPolarHBondContact O-CG 3.06Å; I321-L325 PolarHBondContact O-N 3.08Å; I322-L325 PolarHBondContact O-N 3.39Å; T323-L325 VanDerWaalsContact C-N 3.33Å; T323-L325 PolarHBondContact O-N 3.32Å; L325-Q327 PolarHBondContact O-N 3.45Å; L325-F328 PolarHBondContact O-N 2.96Å; L325-W329 HydrophobicContact CB-CE3 4.26Å; L325-W329 HydrophobicContact CB-CH2 4.24Å; L325-W329 HydrophobicContact CB-CZ3 3.9Å; L325-W329 HydrophobicContact CD1-CH2 4.43Å; L325-W329 HydrophobicContact CD2-CH2 3.89Å; L325-W329 HydrophobicContact CD2-CZ2 4.12Å; L325-W329 HydrophobicContact CD2-CZ3 4.42Å; L325-W329 HydrophobicContact CG-CH2 4.42Å; L325-W329 PolarHBondContact O-N 3.03Å
326A87.2Confident85.8Confident1 Ų145.4 Ų45.41%0.00824%0.24CC..Hα-helixtrans-66.4-38.5-175.500000112L246 I322 T323 K330 L335 L377L246-A326 HydrophobicContact CD1-CB 4.39Å; L246-A326 HydrophobicContact CD2-CB 3.91Å; I322-A326 VanDerWaalsContact O-CB 3.27Å; I322-A326 WeakPolarHBondContact O-CB 3.45Å; I322-A326 PolarHBondContact O-N 3.38Å; T323-A326 PolarHBondContact O-N 3.39Å; A326-K330 WeakPolarHBondContact O-CB 3.18Å; A326-K330 PolarHBondContact O-N 3.07Å; A326-L335 WeakPolarHBondContact O-CD1 3.34Å; A326-L377 HydrophobicContact CB-CD2 3.6Å; A326-L377 HydrophobicContact CB-CG 4.39Å
327Q87.3Confident85Confident74 Ų7444.9 Ų44.935%0.34624%0.235SC..Hα-helixtrans-67.3-43.7176.2-17756.14400111.1T323 L325 W329 K330 D331 L377T323-Q327 VanDerWaalsContact O-CB 3.29Å; T323-Q327 WeakPolarHBondContact O-CB 3.25Å; T323-Q327 PolarHBondContact O-N 3.38Å; L325-Q327 PolarHBondContact O-N 3.45Å; Q327-W329 PolarHBondContact O-N 2.77Å; Q327-K330 WeakPolarHBondContact O-CB 3.49Å; Q327-K330 PolarHBondContact O-N 3.37Å; Q327-D331 PolarHBondContact NE2-OD1 3.46Å; Q327-D331 PolarHBondContact NE2-OD2 3.44Å; Q327-D331 PolarHBondContact O-N 3.47Å; Q327-L377 HydrophobicContact CB-CD2 4.27Å
328F88.8Confident83.5Confident71 Ų7146.4 Ų46.431%0.31126%0.255SS..Hα-helixtrans-59.8-43.1176.6-179.6-104.3000112.9T233 D234 D324 L325 D331 K332T233-F328 HydrophobicContact CG2-CD1 4.33Å; T233-F328 HydrophobicContact CG2-CE1 4.49Å; D234-F328 WeakPolarHBondContact OD1-CZ 3.1Å; D324-F328 VanDerWaalsContact O-CB 3.24Å; D324-F328 WeakPolarHBondContact O-CB 3.37Å; D324-F328 PolarHBondContact O-N 3Å; L325-F328 PolarHBondContact O-N 2.96Å; F328-D331 PolarHBondContact O-N 3.16Å; F328-K332 HydrophobicContact CD1-CD 4.42Å; F328-K332 HydrophobicContact CE1-CD 3.93Å; F328-K332 HydrophobicContact CZ-CD 4.2Å; F328-K332 PolarHBondContact O-N 2.96Å
329W90.1Very high82.2Confident0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-74-28176-66.3-37.8000113.3L229 T233 V236 C242 S245 L246 L325 Q327 G333 L334 L335L229-W329 HydrophobicContact CD1-CH2 4.25Å; L229-W329 HydrophobicContact CD2-CH2 4.31Å; L229-W329 HydrophobicContact CG-CH2 4.3Å; T233-W329 HydrophobicContact CG2-CZ2 4.3Å; T233-W329 PolarHBondContact O-NE1 2.86Å; V236-W329 HydrophobicContact CB-CZ2 4.35Å; V236-W329 HydrophobicContact CG2-CZ2 3.93Å; C242-W329 VanDerWaalsContact SG-CB 3.57Å; S245-W329 VanDerWaalsContact CB-CH2 3.49Å; L246-W329 HydrophobicContact CD1-CE3 4.45Å; L246-W329 HydrophobicContact CD2-CE3 3.94Å; L246-W329 HydrophobicContact CD2-CZ3 3.74Å; L246-W329 HydrophobicContact CG-CE3 3.95Å; L246-W329 HydrophobicContact CG-CZ3 3.89Å; L325-W329 HydrophobicContact CB-CE3 4.26Å; L325-W329 HydrophobicContact CB-CH2 4.24Å; L325-W329 HydrophobicContact CB-CZ3 3.9Å; L325-W329 HydrophobicContact CD1-CH2 4.43Å; L325-W329 HydrophobicContact CD2-CH2 3.89Å; L325-W329 HydrophobicContact CD2-CZ2 4.12Å; L325-W329 HydrophobicContact CD2-CZ3 4.42Å; L325-W329 HydrophobicContact CG-CH2 4.42Å; L325-W329 PolarHBondContact O-N 3.03Å; Q327-W329 PolarHBondContact O-N 2.77Å; W329-G333 PolarHBondContact O-N 3.31Å; W329-L334 HydrophobicContact CB-CB 4.36Å; W329-L334 PolarHBondContact O-N 2.69Å; W329-L335 HydrophobicContact CB-CG 4.38Å
330K85.3Confident80.8Confident82 Ų8254.5 Ų54.536%0.35730%0.303SS..Hα-helixtrans-62.8-46.7168.7-170167.7175.8175.20111.4A326 Q327 K332 G333 L335 L377 S380A326-K330 WeakPolarHBondContact O-CB 3.18Å; A326-K330 PolarHBondContact O-N 3.07Å; Q327-K330 WeakPolarHBondContact O-CB 3.49Å; Q327-K330 PolarHBondContact O-N 3.37Å; K330-K332 VanDerWaalsContact C-N 3.32Å; K330-K332 PolarHBondContact O-N 3.2Å; K330-G333 WeakPolarHBondContact O-CA 3.42Å; K330-G333 PolarHBondContact O-N 3.46Å; K330-L335 HydrophobicContact CB-CD1 4Å; K330-L377 HydrophobicContact CD-CD1 3.42Å; K330-L377 VanDerWaalsContact CD-CD1 3.42Å; K330-S380 PolarHBondContact NZ-OG 2.95Å
331D86.1Confident79.2Confident122 Ų12254.1 Ų54.165%0.65231%0.312SS*.Hα-helixtrans-69.9-27.7-179.9-67-30.9000112.7Q327 F328 G333Q327-D331 PolarHBondContact NE2-OD1 3.46Å; Q327-D331 PolarHBondContact NE2-OD2 3.44Å; Q327-D331 PolarHBondContact O-N 3.47Å; F328-D331 PolarHBondContact O-N 3.16Å; D331-G333 VanDerWaalsContact C-N 3.27Å
332K84.7Confident77.8Confident86 Ų8658.7 Ų58.737%0.37434%0.341SS..THydrogen-bonded Turntrans-76.3-5.9166.5-76.3-172.9173.9-179.50114.4D234 F328 K330 L334D234-K332 IonicContact OD1-NZ 2.65Å; D234-K332 PolarHBondContact OD1-NZ 3.18Å; F328-K332 HydrophobicContact CD1-CD 4.42Å; F328-K332 HydrophobicContact CE1-CD 3.93Å; F328-K332 HydrophobicContact CZ-CD 4.2Å; F328-K332 PolarHBondContact O-N 2.96Å; K330-K332 VanDerWaalsContact C-N 3.32Å; K330-K332 PolarHBondContact O-N 3.2Å; K332-L334 VanDerWaalsContact C-N 3.34Å; K332-L334 HydrophobicContact CB-CD1 4.27Å; K332-L334 HydrophobicContact CB-CG 4.07Å
333G81.5Confident76.6Confident44 Ų4459.9 Ų59.945%0.45435%0.349SS..THydrogen-bonded Turntrans76.413-179.400000115.5W329 K330 D331 L335W329-G333 PolarHBondContact O-N 3.31Å; K330-G333 WeakPolarHBondContact O-CA 3.42Å; K330-G333 PolarHBondContact O-N 3.46Å; D331-G333 VanDerWaalsContact C-N 3.27Å; G333-L335 PolarHBondContact O-N 3.01Å
334L83.5Confident75.9Confident23 Ų2361.2 Ų61.212%0.1236%0.359CS..  trans-83.710.1-175.5-59.5179.5000114.1V236 A237 C242 W329 K332V236-L334 HydrophobicContact CG1-CD1 4.41Å; A237-L334 WeakPolarHBondContact O-CD2 3.2Å; C242-L334 HydrophobicContact CB-CB 4.17Å; W329-L334 HydrophobicContact CB-CB 4.36Å; W329-L334 PolarHBondContact O-N 2.69Å; K332-L334 VanDerWaalsContact C-N 3.34Å; K332-L334 HydrophobicContact CB-CD1 4.27Å; K332-L334 HydrophobicContact CB-CG 4.07Å
335L79.3Confident75.3Confident20 Ų2060.2 Ų60.211%0.10535%0.351CS..SBendtrans-11837.6-178.6-65-178.4000112.9C242 F243 L246 A326 W329 K330 G333 L381C242-L335 WeakPolarHBondContact SG-CD2 3.38Å; F243-L335 HydrophobicContact CD1-CD2 4.06Å; F243-L335 HydrophobicContact CE1-CD2 3.93Å; L246-L335 HydrophobicContact CD1-CD1 4.2Å; L246-L335 HydrophobicContact CD1-CD2 3.57Å; A326-L335 WeakPolarHBondContact O-CD1 3.34Å; W329-L335 HydrophobicContact CB-CG 4.38Å; K330-L335 HydrophobicContact CB-CD1 4Å; G333-L335 PolarHBondContact O-N 3.01Å; L335-L381 HydrophobicContact CB-CD2 3.96Å; L335-L381 HydrophobicContact CD1-CD2 4.27Å
336V71.9Confident74.9Confident97 Ų9760.6 Ų60.659%0.58835%0.353SS*.  trans-120.9128.3177-175.90000109.4T239 S338T239-V336 WeakPolarHBondContact CG2-O 3.5Å; V336-S338 PolarHBondContact O-N 3.44Å
337V65.6Low74.6Confident39 Ų3960.7 Ų60.724%0.23635%0.354CS..  trans-76.2120.3175.7-1780000109.4F243 D339 L383F243-V337 HydrophobicContact CE2-CG2 4.21Å; F243-V337 HydrophobicContact CZ-CG2 4.01Å; V337-D339 WeakPolarHBondContact CG1-O 3.46Å; V337-L383 HydrophobicContact CG2-CD2 3.75Å
338S55.8Low74.2Confident113 Ų11357.8 Ų57.879%0.7934%0.342SS*.SBendtrans-75.9-24.6-174.4-50.50000114.7V336V336-S338 PolarHBondContact O-N 3.44Å
339D59.1Low74Confident75 Ų7555.5 Ų55.540%0.40133%0.331SS..  trans-147.8118175.2-169.2-26.3000109.6V337 S341V337-D339 WeakPolarHBondContact CG1-O 3.46Å; D339-S341 VanDerWaalsContact C-N 3.3Å; D339-S341 VanDerWaalsContact CG-OG 3.3Å; D339-S341 VanDerWaalsContact OD1-CB 3.29Å; D339-S341 WeakPolarHBondContact OD1-CB 3.23Å; D339-S341 PolarHBondContact OD1-N 2.82Å; D339-S341 PolarHBondContact OD1-OG 3.45Å; D339-S341 PolarHBondContact OD2-OG 2.78Å
340P58.3Low73.8Confident96 Ų9655.5 Ų55.562%0.62333%0.331SS*.SBendtrans-78.7-9.3178.332.9-35.7000113.8
341S54.2Low73.8Confident88 Ų8854 Ų5462%0.61533%0.325SS*.SBendtrans-86.3-18.9-175.6720000114.5D339D339-S341 VanDerWaalsContact C-N 3.3Å; D339-S341 VanDerWaalsContact CG-OG 3.3Å; D339-S341 VanDerWaalsContact OD1-CB 3.29Å; D339-S341 WeakPolarHBondContact OD1-CB 3.23Å; D339-S341 PolarHBondContact OD1-N 2.82Å; D339-S341 PolarHBondContact OD1-OG 3.45Å; D339-S341 PolarHBondContact OD2-OG 2.78Å
342T58.6Low73.7Confident105 Ų10549.7 Ų49.764%0.64430%0.3SS*.SBendtrans-140.877.6176.642.40000110.6C344T342-C344 PolarHBondContact O-N 3.46Å
343P64.6Low73.8Confident24 Ų2445.6 Ų45.616%0.15628%0.282CS..  trans-67.4130.5-175.728.2-35.2000111.7C280 V348 P384C280-P343 PolarHBondContact SG-O 2.99Å; P343-V348 HydrophobicContact CB-CG2 3.87Å; P343-V348 HydrophobicContact CG-CG2 3.96Å; P343-P384 HydrophobicContact CB-CG 3.97Å; P343-P384 HydrophobicContact CG-CG 4.42Å
344C73.1Confident74.1Confident53 Ų5344.1 Ų44.136%0.35826%0.264SS..  trans-66.7155.5176.676.50000111.6D240 T342 S346 A347 V348D240-C344 PolarHBondContact OD1-SG 3.43Å; T342-C344 PolarHBondContact O-N 3.46Å; C344-S346 PolarHBondContact O-N 3.48Å; C344-A347 WeakPolarHBondContact O-CB 3.27Å; C344-A347 PolarHBondContact O-N 2.93Å; C344-A347 PolarHBondContact SG-N 3.44Å; C344-V348 PolarHBondContact O-N 2.89Å
345F77.7Confident74.2Confident50 Ų5049.2 Ų49.222%0.21929%0.287CS..Hα-helixtrans-50.2-42.7178.3170.7-103.1000112.8T277 C280 R281 D298 A347 V348 R349T277-F345 HydrophobicContact CG2-CE2 3.8Å; C280-F345 HydrophobicContact CB-CB 4.05Å; R281-F345 HydrophobicContact CG-CD2 3.78Å; R281-F345 HydrophobicContact CG-CE2 4.23Å; R281-F345 HydrophobicContact CG-CG 4.21Å; D298-F345 WeakPolarHBondContact OD2-CZ 3.39Å; F345-A347 VanDerWaalsContact C-N 3.34Å; F345-A347 PolarHBondContact O-N 3.45Å; F345-V348 PolarHBondContact O-N 3.22Å; F345-R349 WeakPolarHBondContact O-CB 3.31Å; F345-R349 PolarHBondContact O-N 3.38Å
346S80.8Confident74.5Confident9 Ų950 Ų506%0.06329%0.288CS..Hα-helixtrans-63.9-35.3179.2-48.10000112.9D240 C344 L350D240-S346 WeakPolarHBondContact OD1-CB 3.04Å; D240-S346 PolarHBondContact OD1-OG 3Å; C344-S346 PolarHBondContact O-N 3.48Å; S346-L350 VanDerWaalsContact O-CB 3.3Å; S346-L350 WeakPolarHBondContact O-CB 3.41Å; S346-L350 PolarHBondContact O-N 3.49Å
347A80.6Confident75.2Confident3 Ų345.4 Ų45.43%0.02526%0.26CS..Hα-helixtrans-70.3-47.2176.900000111.9F243 C344 F345 R349 L350 Q351F243-A347 HydrophobicContact CD2-CB 3.71Å; F243-A347 HydrophobicContact CE2-CB 3.73Å; C344-A347 WeakPolarHBondContact O-CB 3.27Å; C344-A347 PolarHBondContact O-N 2.93Å; C344-A347 PolarHBondContact SG-N 3.44Å; F345-A347 VanDerWaalsContact C-N 3.34Å; F345-A347 PolarHBondContact O-N 3.45Å; A347-R349 VanDerWaalsContact C-N 3.27Å; A347-R349 PolarHBondContact O-N 3.36Å; A347-L350 PolarHBondContact O-N 2.99Å; A347-Q351 PolarHBondContact O-N 3.44Å
348V79.4Confident76.1Confident14 Ų1444.6 Ų44.69%0.08526%0.255CS..Hα-helixtrans-63.6-34.9176.41780000111.3K276 P343 C344 F345 R352K276-V348 HydrophobicContact CB-CG1 4.33Å; P343-V348 HydrophobicContact CB-CG2 3.87Å; P343-V348 HydrophobicContact CG-CG2 3.96Å; C344-V348 PolarHBondContact O-N 2.89Å; F345-V348 PolarHBondContact O-N 3.22Å; V348-R352 WeakPolarHBondContact O-CD 3.46Å; V348-R352 WeakPolarHBondContact O-CG 3.45Å
349R83.8Confident77.5Confident23 Ų2342.9 Ų42.99%0.08724%0.239CC..Hα-helixtrans-65.9-52171.9-171.9-172.1164.8170.5-4.2111.3W166 D251 F345 A347 Q351 R352 S353W166-R349 VanDerWaalsContact CD1-NH1 3.33Å; W166-R349 VanDerWaalsContact CE2-CZ 3.48Å; W166-R349 VanDerWaalsContact CE2-NH1 3.28Å; W166-R349 VanDerWaalsContact CE2-NH2 3.28Å; W166-R349 VanDerWaalsContact CZ2-NH2 3.31Å; D251-R349 IonicContact OD2-CZ 3.82Å; D251-R349 IonicContact OD2-NE 3.56Å; D251-R349 PolarHBondContact OD2-NE 3.39Å; D251-R349 VanDerWaalsContact OD2-NE 3.11Å; D251-R349 IonicContact OD2-NH2 3.63Å; D251-R349 PolarHBondContact OD2-NH2 3.12Å; F345-R349 WeakPolarHBondContact O-CB 3.31Å; F345-R349 PolarHBondContact O-N 3.38Å; A347-R349 VanDerWaalsContact C-N 3.27Å; A347-R349 PolarHBondContact O-N 3.36Å; R349-Q351 VanDerWaalsContact C-N 3.33Å; R349-Q351 PolarHBondContact O-N 2.93Å; R349-R352 WeakPolarHBondContact O-CB 3.41Å; R349-R352 PolarHBondContact O-N 3.41Å; R349-R352 VanDerWaalsContact O-N 3.08Å; R349-S353 PolarHBondContact O-N 3.44Å; R349-S353 PolarHBondContact O-OG 3.41Å
350L86.5Confident78.6Confident0 Ų040 Ų400%023%0.227CC..Hα-helixtrans-56.6-44.2-179177.261.8000112.3F243 L246 L250 S346 A347 R352 S353 I354 L383F243-L350 HydrophobicContact CB-CB 4.43Å; F243-L350 HydrophobicContact CB-CD2 4.11Å; F243-L350 HydrophobicContact CD1-CD2 3.38Å; F243-L350 HydrophobicContact CE1-CD2 3.93Å; F243-L350 HydrophobicContact CG-CD2 3.88Å; L246-L350 HydrophobicContact CB-CD1 3.62Å; L250-L350 HydrophobicContact CD1-CD1 3.87Å; S346-L350 VanDerWaalsContact O-CB 3.3Å; S346-L350 WeakPolarHBondContact O-CB 3.41Å; S346-L350 PolarHBondContact O-N 3.49Å; A347-L350 PolarHBondContact O-N 2.99Å; L350-R352 PolarHBondContact O-N 2.66Å; L350-S353 PolarHBondContact O-N 3.43Å; L350-S353 VanDerWaalsContact O-N 3.16Å; L350-I354 HydrophobicContact CD1-CD1 3.91Å; L350-I354 HydrophobicContact CD1-CG1 4Å; L350-I354 HydrophobicContact CD2-CD1 4.34Å; L350-I354 HydrophobicContact CG-CD1 3.75Å; L350-I354 HydrophobicContact CG-CG1 4.28Å; L350-I354 WeakPolarHBondContact O-CB 3.45Å; L350-I354 VanDerWaalsContact O-CG1 3.32Å; L350-I354 WeakPolarHBondContact O-CG1 3.47Å; L350-I354 PolarHBondContact O-N 3.41Å; L350-L383 HydrophobicContact CG-CD1 4.45Å
351Q84.9Confident79.7Confident50 Ų5035.7 Ų35.723%0.23420%0.198CC..Hα-helixtrans-52.3-41.5176.6-173.4-173.946.500112.3A347 R349 Q355 L383 P384A347-Q351 PolarHBondContact O-N 3.44Å; R349-Q351 VanDerWaalsContact C-N 3.33Å; R349-Q351 PolarHBondContact O-N 2.93Å; Q351-Q355 WeakPolarHBondContact O-CB 3.48Å; Q351-Q355 PolarHBondContact O-N 2.88Å; Q351-L383 HydrophobicContact CB-CB 4.15Å; Q351-L383 HydrophobicContact CB-CD1 3.89Å; Q351-L383 HydrophobicContact CG-CB 3.97Å; Q351-L383 HydrophobicContact CG-CD1 4.34Å; Q351-L383 PolarHBondContact NE2-O 3.41Å; Q351-L383 VanDerWaalsContact NE2-O 3.12Å; Q351-P384 VanDerWaalsContact NE2-C 3.35Å; Q351-P384 PolarHBondContact NE2-O 2.95Å
352R83.9Confident80.7Confident32 Ų3235.7 Ų35.712%0.12119%0.191CC..Hα-helixtrans-76.5-38.8179.3-64.7164.5175.4175.9-7.1112.7I273 T277 V348 R349 L350 I354 Q355 R356I273-R352 VanDerWaalsContact CA-NH2 3.34Å; I273-R352 PolarHBondContact O-NH1 3.17Å; I273-R352 PolarHBondContact O-NH2 2.98Å; T277-R352 PolarHBondContact OG1-NH1 2.95Å; V348-R352 WeakPolarHBondContact O-CD 3.46Å; V348-R352 WeakPolarHBondContact O-CG 3.45Å; R349-R352 WeakPolarHBondContact O-CB 3.41Å; R349-R352 PolarHBondContact O-N 3.41Å; R349-R352 VanDerWaalsContact O-N 3.08Å; L350-R352 PolarHBondContact O-N 2.66Å; R352-I354 VanDerWaalsContact C-N 3.29Å; R352-I354 PolarHBondContact O-N 2.67Å; R352-Q355 PolarHBondContact O-N 3.46Å; R352-R356 WeakPolarHBondContact O-CB 3.36Å; R352-R356 WeakPolarHBondContact O-CG 3.48Å; R352-R356 PolarHBondContact O-N 3.24Å
353S87.5Confident81.3Confident0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-59-44172.5-55.90000110.6S247 D251 R349 L350 R356 V357S247-S353 PolarHBondContact O-OG 3.21Å; D251-S353 VanDerWaalsContact OD1-CB 3.25Å; D251-S353 WeakPolarHBondContact OD1-CB 3.36Å; D251-S353 PolarHBondContact OD1-OG 3.42Å; D251-S353 PolarHBondContact OD2-OG 3.32Å; R349-S353 PolarHBondContact O-N 3.44Å; R349-S353 PolarHBondContact O-OG 3.41Å; L350-S353 PolarHBondContact O-N 3.43Å; L350-S353 VanDerWaalsContact O-N 3.16Å; S353-R356 PolarHBondContact OG-NH2 2.97Å; S353-V357 WeakPolarHBondContact O-CB 3.28Å; S353-V357 WeakPolarHBondContact O-CG2 3.31Å; S353-V357 PolarHBondContact O-N 2.99Å
354I87.1Confident81.3Confident13 Ų1339.6 Ų39.67%0.06721%0.209CC..Hα-helixtrans-60-52.8172.4-70.7172000110.8L250 L350 R352 R356 V357 L358 L378 L381 L383L250-I354 HydrophobicContact CD1-CG1 3.83Å; L350-I354 HydrophobicContact CD1-CD1 3.91Å; L350-I354 HydrophobicContact CD1-CG1 4Å; L350-I354 HydrophobicContact CD2-CD1 4.34Å; L350-I354 HydrophobicContact CG-CD1 3.75Å; L350-I354 HydrophobicContact CG-CG1 4.28Å; L350-I354 WeakPolarHBondContact O-CB 3.45Å; L350-I354 VanDerWaalsContact O-CG1 3.32Å; L350-I354 WeakPolarHBondContact O-CG1 3.47Å; L350-I354 PolarHBondContact O-N 3.41Å; R352-I354 VanDerWaalsContact C-N 3.29Å; R352-I354 PolarHBondContact O-N 2.67Å; I354-R356 PolarHBondContact O-N 2.88Å; I354-V357 PolarHBondContact O-N 3.23Å; I354-L358 HydrophobicContact CG2-CD1 3.59Å; I354-L358 HydrophobicContact CG2-CG 4.06Å; I354-L358 WeakPolarHBondContact O-CB 3.2Å; I354-L358 VanDerWaalsContact O-CG 3.29Å; I354-L358 WeakPolarHBondContact O-CG 3.43Å; I354-L358 PolarHBondContact O-N 3.44Å; I354-L378 HydrophobicContact CD1-CD2 4.21Å; I354-L378 HydrophobicContact CG1-CD1 4.33Å; I354-L378 HydrophobicContact CG1-CD2 4.06Å; I354-L378 HydrophobicContact CG2-CB 4.08Å; I354-L381 HydrophobicContact CD1-CD1 3.72Å; I354-L383 HydrophobicContact CD1-CD1 3.85Å
355Q85Confident80.3Confident130 Ų13042.7 Ų42.761%0.60723%0.228SC*.Hα-helixtrans-59.8-42.1-177.8-170.8-179.77.100112.8Q351 R352 T359Q351-Q355 WeakPolarHBondContact O-CB 3.48Å; Q351-Q355 PolarHBondContact O-N 2.88Å; R352-Q355 PolarHBondContact O-N 3.46Å; Q355-T359 PolarHBondContact O-N 3.41Å; Q355-T359 VanDerWaalsContact O-N 3.11Å; Q355-T359 PolarHBondContact O-OG1 3.25Å
356R87.2Confident79.2Confident36 Ų3649.7 Ų49.714%0.13626%0.262CS..Hα-helixtrans-63.4-49.2175.4-75.9-176.3-66.8-112.51.5112.2D251 Y254 S302 R352 S353 I354 T359 A360D251-R356 IonicContact OD1-CZ 3.64Å; D251-R356 IonicContact OD1-NE 3.76Å; D251-R356 IonicContact OD1-NH2 2.7Å; D251-R356 PolarHBondContact OD1-NH2 3.25Å; D251-R356 IonicContact OD2-NH2 3.59Å; Y254-R356 HydrophobicContact CD2-CB 4.13Å; Y254-R356 HydrophobicContact CE1-CB 4.45Å; Y254-R356 HydrophobicContact CE2-CB 3.86Å; S302-R356 VanDerWaalsContact CB-CZ 3.5Å; S302-R356 PolarHBondContact OG-NH1 3.26Å; R352-R356 WeakPolarHBondContact O-CB 3.36Å; R352-R356 WeakPolarHBondContact O-CG 3.48Å; R352-R356 PolarHBondContact O-N 3.24Å; S353-R356 PolarHBondContact OG-NH2 2.97Å; I354-R356 PolarHBondContact O-N 2.88Å; R356-T359 PolarHBondContact O-N 3.45Å; R356-A360 PolarHBondContact O-N 3.42Å; R356-A360 VanDerWaalsContact O-N 3.1Å
357V86.1Confident77.9Confident0 Ų051.4 Ų51.40%028%0.276CS..Hα-helixtrans-65.6-42.3-179.3169.10000111.1L250 Y254 L258 S353 I354 A360 L361L250-V357 HydrophobicContact CB-CG2 4.11Å; L250-V357 HydrophobicContact CD2-CB 4.41Å; L250-V357 HydrophobicContact CD2-CG1 4.15Å; L250-V357 HydrophobicContact CD2-CG2 4.16Å; Y254-V357 HydrophobicContact CD2-CG2 4.26Å; Y254-V357 HydrophobicContact CG-CG2 4.48Å; L258-V357 HydrophobicContact CD1-CG1 4.44Å; S353-V357 WeakPolarHBondContact O-CB 3.28Å; S353-V357 WeakPolarHBondContact O-CG2 3.31Å; S353-V357 PolarHBondContact O-N 2.99Å; I354-V357 PolarHBondContact O-N 3.23Å; V357-A360 PolarHBondContact O-N 3.02Å; V357-L361 HydrophobicContact CG1-CD1 3.56Å; V357-L361 HydrophobicContact CG1-CG 4.04Å; V357-L361 VanDerWaalsContact O-CB 3.27Å; V357-L361 WeakPolarHBondContact O-CB 3.39Å; V357-L361 VanDerWaalsContact O-CG 3.23Å; V357-L361 WeakPolarHBondContact O-CG 3.37Å; V357-L361 PolarHBondContact O-N 3.47Å
358L84.8Confident76.7Confident22 Ų2254.2 Ų54.212%0.11530%0.299CS..Hα-helixtrans-61.6-46.2176.9-73.1-179.5000112.1I354 L361 D362 R375 L378 K379I354-L358 HydrophobicContact CG2-CD1 3.59Å; I354-L358 HydrophobicContact CG2-CG 4.06Å; I354-L358 WeakPolarHBondContact O-CB 3.2Å; I354-L358 VanDerWaalsContact O-CG 3.29Å; I354-L358 WeakPolarHBondContact O-CG 3.43Å; I354-L358 PolarHBondContact O-N 3.44Å; L358-L361 PolarHBondContact O-N 3.34Å; L358-D362 WeakPolarHBondContact O-CB 3.31Å; L358-D362 VanDerWaalsContact O-CG 3.27Å; L358-D362 PolarHBondContact O-N 3.4Å; L358-R375 HydrophobicContact CD2-CB 4.34Å; L358-R375 HydrophobicContact CD2-CG 3.92Å; L358-L378 HydrophobicContact CD2-CB 4.24Å; L358-K379 HydrophobicContact CD1-CG 3.73Å; L358-K379 HydrophobicContact CD2-CG 4.14Å
359T84.1Confident75.8Confident77 Ų7757.9 Ų57.947%0.47233%0.331SS..Hα-helixtrans-60.1-48.7177.2-57.20000111.3Q355 R356 L361 D362 E363Q355-T359 PolarHBondContact O-N 3.41Å; Q355-T359 VanDerWaalsContact O-N 3.11Å; Q355-T359 PolarHBondContact O-OG1 3.25Å; R356-T359 PolarHBondContact O-N 3.45Å; T359-L361 PolarHBondContact O-N 2.88Å; T359-D362 PolarHBondContact O-N 3.34Å; T359-D362 VanDerWaalsContact O-N 3.15Å; T359-E363 PolarHBondContact O-N 3.16Å; T359-E363 VanDerWaalsContact O-N 3.15Å
360A83.1Confident74.9Confident16 Ų1659.6 Ų59.613%0.13234%0.34CS..Hα-helixtrans-69.4-30.6-179.800000113.6Y254 L258 R356 V357 D362 E363 A364Y254-A360 HydrophobicContact CD2-CB 4.25Å; Y254-A360 HydrophobicContact CE2-CB 3.84Å; L258-A360 HydrophobicContact CB-CB 4.11Å; L258-A360 HydrophobicContact CD1-CB 4.05Å; R356-A360 PolarHBondContact O-N 3.42Å; R356-A360 VanDerWaalsContact O-N 3.1Å; V357-A360 PolarHBondContact O-N 3.02Å; A360-D362 VanDerWaalsContact C-N 3.32Å; A360-E363 PolarHBondContact O-N 2.98Å; A360-A364 VanDerWaalsContact O-CB 3.3Å; A360-A364 WeakPolarHBondContact O-CB 3.33Å; A360-A364 PolarHBondContact O-N 3.08Å
361L80.8Confident73.9Confident4 Ų460 Ų602%0.02134%0.343CS..Hα-helixtrans-76-17.4172-71179.8000113.5L258 L319 V357 L358 T359 T371 R375L258-L361 HydrophobicContact CD1-CD2 4.08Å; L258-L361 HydrophobicContact CD1-CG 4.16Å; L258-L361 HydrophobicContact CD2-CD2 4.1Å; L319-L361 HydrophobicContact CD2-CD1 4.28Å; L319-L361 HydrophobicContact CD2-CD2 4.43Å; V357-L361 HydrophobicContact CG1-CD1 3.56Å; V357-L361 HydrophobicContact CG1-CG 4.04Å; V357-L361 VanDerWaalsContact O-CB 3.27Å; V357-L361 WeakPolarHBondContact O-CB 3.39Å; V357-L361 VanDerWaalsContact O-CG 3.23Å; V357-L361 WeakPolarHBondContact O-CG 3.37Å; V357-L361 PolarHBondContact O-N 3.47Å; L358-L361 PolarHBondContact O-N 3.34Å; T359-L361 PolarHBondContact O-N 2.88Å; L361-T371 HydrophobicContact CD2-CG2 4.14Å; L361-R375 PolarHBondContact O-NH2 3.1Å
362D75.2Confident73.3Confident89 Ų8960.9 Ų60.948%0.47635%0.349SS..Hα-helixtrans-87.2-15.5172-70.7-5.2000111.2L358 T359 A360 R375 K379L358-D362 WeakPolarHBondContact O-CB 3.31Å; L358-D362 VanDerWaalsContact O-CG 3.27Å; L358-D362 PolarHBondContact O-N 3.4Å; T359-D362 PolarHBondContact O-N 3.34Å; T359-D362 VanDerWaalsContact O-N 3.15Å; A360-D362 VanDerWaalsContact C-N 3.32Å; D362-R375 IonicContact OD1-CZ 3.93Å; D362-R375 IonicContact OD1-NE 2.65Å; D362-R375 PolarHBondContact OD1-NE 3.03Å; D362-R375 IonicContact OD1-NH2 3.71Å; D362-R375 PolarHBondContact OD1-NH2 3.48Å; D362-K379 IonicContact OD1-NZ 2.69Å; D362-K379 IonicContact OD2-NZ 3.1Å; D362-K379 PolarHBondContact OD2-NZ 2.99Å
363E70.9Confident73.1Confident159 Ų15961.8 Ų61.874%0.74336%0.364SS*.Hα-helixtrans-96.3-19.3172.5-69.1-179.1173.800114.6T359 A360T359-E363 PolarHBondContact O-N 3.16Å; T359-E363 VanDerWaalsContact O-N 3.15Å; A360-E363 PolarHBondContact O-N 2.98Å
364A64.1Low72.7Confident51 Ų5161.8 Ų61.842%0.42136%0.364SS..  trans-83.4132.5-172.600000114.5A360A360-A364 VanDerWaalsContact O-CB 3.3Å; A360-A364 WeakPolarHBondContact O-CB 3.33Å; A360-A364 PolarHBondContact O-N 3.08Å
365P53.6Low72.5Confident118 Ų11863.3 Ų63.377%0.76637%0.369SS*.  trans-82140.2175.731.7-33.7000114
366E53.9Low72.3Confident198 Ų19862.3 Ų62.393%0.92537%0.367SS*.SBendtrans61.669.5160.7-57.7-165.3161.100119.5
367A52.6Low71.9Confident44 Ų4461.2 Ų61.236%0.36436%0.364SS..  trans-144.324.5160.200000114.7A369 T371A367-A369 PolarHBondContact O-N 2.96Å; A367-T371 HydrophobicContact CB-CG2 3.64Å; A367-T371 PolarHBondContact O-OG1 2.9Å
368A55.6Low71.8Confident62 Ų6261.3 Ų61.351%0.51236%0.364SS..Hα-helixtrans-38.7-50.2-156.500000118.7E370 T371 D372A368-E370 PolarHBondContact O-N 3.42Å; A368-T371 VanDerWaalsContact C-OG1 3.28Å; A368-T371 WeakPolarHBondContact CA-OG1 3.46Å; A368-T371 PolarHBondContact O-OG1 2.91Å; A368-D372 VanDerWaalsContact O-CB 3.29Å; A368-D372 WeakPolarHBondContact O-CB 3.42Å; A368-D372 PolarHBondContact O-N 3.4Å; A368-D372 VanDerWaalsContact O-N 3.08Å
369A61.2Low71.6Confident91 Ų9165.4 Ų65.475%0.75238%0.381SS*.Hα-helixtrans-66.5-40.5-165.700000114.5A367A367-A369 PolarHBondContact O-N 2.96Å
370E64Low71.4Confident59 Ų5964.4 Ų64.428%0.27638%0.377SS..Hα-helixtrans-94.6-20.1-179.3-66.9-178.6143.400111.9K320 A368K320-E370 IonicContact NZ-OE1 3.08Å; K320-E370 PolarHBondContact NZ-OE1 3.45Å; A368-E370 PolarHBondContact O-N 3.42Å
371T66.6Low71Confident10 Ų1065.1 Ų65.16%0.06138%0.379CS..Hα-helixtrans-67.2-43.2169.748.30000112.2L319 L361 A367 A368 L374 R375L319-T371 HydrophobicContact CD1-CG2 3.61Å; L361-T371 HydrophobicContact CD2-CG2 4.14Å; A367-T371 HydrophobicContact CB-CG2 3.64Å; A367-T371 PolarHBondContact O-OG1 2.9Å; A368-T371 VanDerWaalsContact C-OG1 3.28Å; A368-T371 WeakPolarHBondContact CA-OG1 3.46Å; A368-T371 PolarHBondContact O-OG1 2.91Å; T371-L374 PolarHBondContact O-N 2.89Å; T371-R375 VanDerWaalsContact O-CB 3.29Å; T371-R375 WeakPolarHBondContact O-CB 3.47Å; T371-R375 PolarHBondContact O-N 3.31Å
372D72.7Confident70.2Confident67 Ų6774 Ų7436%0.35842%0.42SS..Hα-helixtrans-72.3-37.3-170.2-64.810.6000110.6A368 R375 D376A368-D372 VanDerWaalsContact O-CB 3.29Å; A368-D372 WeakPolarHBondContact O-CB 3.42Å; A368-D372 PolarHBondContact O-N 3.4Å; A368-D372 VanDerWaalsContact O-N 3.08Å; D372-R375 VanDerWaalsContact CG-NH1 3.3Å; D372-R375 PolarHBondContact O-N 3.23Å; D372-R375 IonicContact OD1-CZ 2.72Å; D372-R375 IonicContact OD1-NH1 2.77Å; D372-R375 PolarHBondContact OD1-NH1 2.85Å; D372-R375 IonicContact OD2-NH1 3.86Å; D372-D376 PolarHBondContact O-N 3.03Å
373A78.3Confident69.8Low52 Ų5271.3 Ų71.343%0.4341%0.406SS..Hα-helixtrans-60.3-45173.200000112.7T323 L377T323-A373 HydrophobicContact CG2-CB 4.3Å; A373-L377 VanDerWaalsContact O-CB 3.23Å; A373-L377 WeakPolarHBondContact O-CB 3.37Å; A373-L377 PolarHBondContact O-N 3.49Å; A373-L377 VanDerWaalsContact O-N 3.14Å
374L80.6Confident69.2Low0 Ų065.6 Ų65.60%038%0.382CS..Hα-helixtrans-69.2-41.1175.7-17360.5000111.4L319 I322 T371 D376 L377 L378L319-L374 HydrophobicContact CD2-CD2 3.59Å; I322-L374 HydrophobicContact CG2-CD1 4.02Å; I322-L374 HydrophobicContact CG2-CD2 4.25Å; T371-L374 PolarHBondContact O-N 2.89Å; L374-D376 PolarHBondContact O-N 3.01Å; L374-L377 PolarHBondContact O-N 3.12Å; L374-L378 HydrophobicContact CD1-CD1 4.17Å; L374-L378 HydrophobicContact CD1-CD2 4.3Å; L374-L378 HydrophobicContact CD1-CG 3.98Å; L374-L378 HydrophobicContact CG-CD1 4Å; L374-L378 HydrophobicContact CG-CG 4.18Å; L374-L378 WeakPolarHBondContact O-CB 3.33Å; L374-L378 VanDerWaalsContact O-CG 3.31Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 3.26Å
375R81Confident68.7Low45 Ų4567.8 Ų67.817%0.1740%0.401CS..Hα-helixtrans-56.4-50.8178.5-179.1-166.9-75.7123.31.6111.1L358 L361 D362 T371 D372 L378 K379L358-R375 HydrophobicContact CD2-CB 4.34Å; L358-R375 HydrophobicContact CD2-CG 3.92Å; L361-R375 PolarHBondContact O-NH2 3.1Å; D362-R375 IonicContact OD1-CZ 3.93Å; D362-R375 IonicContact OD1-NE 2.65Å; D362-R375 PolarHBondContact OD1-NE 3.03Å; D362-R375 IonicContact OD1-NH2 3.71Å; D362-R375 PolarHBondContact OD1-NH2 3.48Å; T371-R375 VanDerWaalsContact O-CB 3.29Å; T371-R375 WeakPolarHBondContact O-CB 3.47Å; T371-R375 PolarHBondContact O-N 3.31Å; D372-R375 VanDerWaalsContact CG-NH1 3.3Å; D372-R375 PolarHBondContact O-N 3.23Å; D372-R375 IonicContact OD1-CZ 2.72Å; D372-R375 IonicContact OD1-NH1 2.77Å; D372-R375 PolarHBondContact OD1-NH1 2.85Å; D372-R375 IonicContact OD2-NH1 3.86Å; R375-L378 PolarHBondContact O-N 2.99Å; R375-K379 HydrophobicContact CG-CD 3.94Å; R375-K379 WeakPolarHBondContact O-CB 3.46Å; R375-K379 VanDerWaalsContact O-CG 3.29Å; R375-K379 WeakPolarHBondContact O-CG 3.31Å; R375-K379 PolarHBondContact O-N 2.78Å
376D80.9Confident68.9Low109 Ų10967.4 Ų67.458%0.58339%0.392SS*.Hα-helixtrans-69.3-36.6-178.9-72.3-6.8000111.8D372 L374 K379 S380D372-D376 PolarHBondContact O-N 3.03Å; L374-D376 PolarHBondContact O-N 3.01Å; D376-K379 PolarHBondContact O-N 2.92Å; D376-S380 PolarHBondContact O-N 3.18Å; D376-S380 VanDerWaalsContact O-N 3.12Å
377L80.4Confident69Low12 Ų1266.6 Ų66.66%0.06339%0.388CS..Hα-helixtrans-61.9-47.1174.4-178.458000111.7T323 A326 Q327 K330 A373 L374 S380T323-L377 HydrophobicContact CG2-CD2 4.42Å; A326-L377 HydrophobicContact CB-CD2 3.6Å; A326-L377 HydrophobicContact CB-CG 4.39Å; Q327-L377 HydrophobicContact CB-CD2 4.27Å; K330-L377 HydrophobicContact CD-CD1 3.42Å; K330-L377 VanDerWaalsContact CD-CD1 3.42Å; A373-L377 VanDerWaalsContact O-CB 3.23Å; A373-L377 WeakPolarHBondContact O-CB 3.37Å; A373-L377 PolarHBondContact O-N 3.49Å; A373-L377 VanDerWaalsContact O-N 3.14Å; L374-L377 PolarHBondContact O-N 3.12Å; L377-S380 PolarHBondContact O-N 3.11Å; L377-S380 PolarHBondContact O-OG 3.22Å
378L83Confident69.3Low2 Ų266 Ų661%0.0138%0.379CS..Hα-helixtrans-71.5-35.9178.2-63.9-176.4000112.8L250 I354 L358 L374 R375 S380 L381L250-L378 HydrophobicContact CD1-CD1 4.26Å; L250-L378 HydrophobicContact CD1-CD2 4.32Å; L250-L378 HydrophobicContact CD2-CD1 3.93Å; I354-L378 HydrophobicContact CD1-CD2 4.21Å; I354-L378 HydrophobicContact CG1-CD1 4.33Å; I354-L378 HydrophobicContact CG1-CD2 4.06Å; I354-L378 HydrophobicContact CG2-CB 4.08Å; L358-L378 HydrophobicContact CD2-CB 4.24Å; L374-L378 HydrophobicContact CD1-CD1 4.17Å; L374-L378 HydrophobicContact CD1-CD2 4.3Å; L374-L378 HydrophobicContact CD1-CG 3.98Å; L374-L378 HydrophobicContact CG-CD1 4Å; L374-L378 HydrophobicContact CG-CG 4.18Å; L374-L378 WeakPolarHBondContact O-CB 3.33Å; L374-L378 VanDerWaalsContact O-CG 3.31Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 3.26Å; R375-L378 PolarHBondContact O-N 2.99Å; L378-S380 PolarHBondContact O-N 3.21Å; L378-L381 HydrophobicContact CD2-CD1 4.17Å; L378-L381 PolarHBondContact O-N 3.5Å
379K81.9Confident69.7Low109 Ų10965.3 Ų65.347%0.47437%0.373SS..Hα-helixtrans-66.3-14.9172.9-73179-175.1-178.40112.7L358 D362 R375 D376L358-K379 HydrophobicContact CD1-CG 3.73Å; L358-K379 HydrophobicContact CD2-CG 4.14Å; D362-K379 IonicContact OD1-NZ 2.69Å; D362-K379 IonicContact OD2-NZ 3.1Å; D362-K379 PolarHBondContact OD2-NZ 2.99Å; R375-K379 HydrophobicContact CG-CD 3.94Å; R375-K379 WeakPolarHBondContact O-CB 3.46Å; R375-K379 VanDerWaalsContact O-CG 3.29Å; R375-K379 WeakPolarHBondContact O-CG 3.31Å; R375-K379 PolarHBondContact O-N 2.78Å; D376-K379 PolarHBondContact O-N 2.92Å
380S77.9Confident69.9Low55 Ų5564.5 Ų64.539%0.38536%0.36SS..THydrogen-bonded Turntrans-86.86.2174.877.40000115.5K330 D376 L377 L378K330-S380 PolarHBondContact NZ-OG 2.95Å; D376-S380 PolarHBondContact O-N 3.18Å; D376-S380 VanDerWaalsContact O-N 3.12Å; L377-S380 PolarHBondContact O-N 3.11Å; L377-S380 PolarHBondContact O-OG 3.22Å; L378-S380 PolarHBondContact O-N 3.21Å
381L75.9Confident70.1Confident31 Ų3166.8 Ų66.816%0.16237%0.374CS..  trans-101.6105.3-179.5-63175.2000111.4L335 I354 L378 L383L335-L381 HydrophobicContact CB-CD2 3.96Å; L335-L381 HydrophobicContact CD1-CD2 4.27Å; I354-L381 HydrophobicContact CD1-CD1 3.72Å; L378-L381 HydrophobicContact CD2-CD1 4.17Å; L378-L381 PolarHBondContact O-N 3.5Å; L381-L383 PolarHBondContact O-N 2.84Å
382E64.1Low70.6Confident192 Ų19268.1 Ų68.190%0.89738%0.381SS*.  trans-75.2107.6174.2-65.4-175.6174.100110.4
383L65.7Low71.1Confident32 Ų3266.2 Ų66.217%0.16837%0.37CS..  trans-121.5132.8-179.7-70.4166.5000109.9V337 L350 Q351 I354 L381 A385V337-L383 HydrophobicContact CG2-CD2 3.75Å; L350-L383 HydrophobicContact CG-CD1 4.45Å; Q351-L383 HydrophobicContact CB-CB 4.15Å; Q351-L383 HydrophobicContact CB-CD1 3.89Å; Q351-L383 HydrophobicContact CG-CB 3.97Å; Q351-L383 HydrophobicContact CG-CD1 4.34Å; Q351-L383 PolarHBondContact NE2-O 3.41Å; Q351-L383 VanDerWaalsContact NE2-O 3.12Å; I354-L383 HydrophobicContact CD1-CD1 3.85Å; L381-L383 PolarHBondContact O-N 2.84Å; L383-A385 PolarHBondContact O-N 2.85Å
384P60Low71.3Confident39 Ų3964 Ų6425%0.25335%0.351SS..  trans-65.8130.7-168.425.4-34.4000112.6P343 Q351P343-P384 HydrophobicContact CB-CG 3.97Å; P343-P384 HydrophobicContact CG-CG 4.42Å; Q351-P384 VanDerWaalsContact NE2-C 3.35Å; Q351-P384 PolarHBondContact NE2-O 2.95Å
385A52.9Low71.5Confident97 Ų9767.5 Ų67.580%0.80237%0.368SS*.  trans-100.6110.6174.800000109.4L383L383-A385 PolarHBondContact O-N 2.85Å
386D57.1Low71.8Confident109 Ų10965.4 Ų65.458%0.58336%0.36SS*.  trans-115.2150-172.7-156.12.1000112.4K276K276-D386 WeakPolarHBondContact CE-O 3.36Å; K276-D386 PolarHBondContact NZ-O 2.91Å
387E56.5Low72.1Confident182 Ų18260.2 Ų60.285%0.8533%0.332SS*.PPolyproline II helixtrans-101.7124.3-177.3-69.2-162.2151.300111.6A389E387-A389 PolarHBondContact O-N 3.08Å
388N59.4Low72.3Confident31 Ų3160.1 Ų60.117%0.16633%0.333CS..PPolyproline II helixtrans-68.5128.6179.4-85.8-57.8000112D272 C275 K276 Q393D272-N388 PolarHBondContact O-ND2 3.3Å; D272-N388 PolarHBondContact OD1-ND2 2.92Å; C275-N388 WeakPolarHBondContact CB-OD1 3.46Å; K276-N388 WeakPolarHBondContact CE-ND2 3.43Å; N388-Q393 HydrophobicContact CB-CG 4.46Å
389A63.8Low72.5Confident48 Ų4861.3 Ų61.340%0.39734%0.34SS..PPolyproline II helixtrans-58.1134.9167.700000111.4E387 D391 I392E387-A389 PolarHBondContact O-N 3.08Å; A389-D391 VanDerWaalsContact C-N 3.27Å; A389-D391 PolarHBondContact O-N 3.38Å; A389-I392 HydrophobicContact CB-CD1 4.04Å; A389-I392 HydrophobicContact CB-CG1 4.3Å; A389-I392 PolarHBondContact O-N 3.08Å
390P64.3Low72.8Confident74 Ų7456.1 Ų56.148%0.48132%0.318SS..Hα-helixtrans-68.7-22-169.726.7-35.6000114.3Q393 A394 W421P390-Q393 WeakPolarHBondContact O-CB 3.4Å; P390-A394 PolarHBondContact O-N 3.38Å; P390-W421 PolarHBondContact O-NE1 3.2Å; P390-W421 VanDerWaalsContact O-NE1 3.08Å
391D69.7Low73.3Confident106 Ų10653.5 Ų53.557%0.56730%0.3SS*.Hα-helixtrans-75.8-36-179.6-61.4-47.8000112.5A389 Q393 A394 Q395A389-D391 VanDerWaalsContact C-N 3.27Å; A389-D391 PolarHBondContact O-N 3.38Å; D391-Q393 PolarHBondContact O-N 3.06Å; D391-A394 WeakPolarHBondContact O-CB 3.33Å; D391-A394 PolarHBondContact O-N 3.01Å; D391-A394 VanDerWaalsContact O-N 3.07Å; D391-Q395 PolarHBondContact O-N 3.26Å
392I76.7Confident73.8Confident38 Ų3854.2 Ų54.220%0.19531%0.31CS..Hα-helixtrans-60.6-40.1173.4-56.9173.1000109.5C275 I284 A389 A394 Q395 V396C275-I392 HydrophobicContact CB-CG2 4.29Å; I284-I392 HydrophobicContact CD1-CD1 3.74Å; I284-I392 HydrophobicContact CD1-CG1 4.34Å; A389-I392 HydrophobicContact CB-CD1 4.04Å; A389-I392 HydrophobicContact CB-CG1 4.3Å; A389-I392 PolarHBondContact O-N 3.08Å; I392-A394 VanDerWaalsContact C-N 3.3Å; I392-A394 PolarHBondContact O-N 2.83Å; I392-Q395 PolarHBondContact O-N 2.9Å; I392-V396 HydrophobicContact CG2-CG2 4.3Å; I392-V396 WeakPolarHBondContact O-CG2 3.37Å; I392-V396 PolarHBondContact O-N 3.46Å
393Q83.8Confident74.8Confident27 Ų2750.1 Ų50.113%0.12629%0.29CS..Hα-helixtrans-61.6-37.5175.5-57.7-170.6-1.300112.5L271 N388 P390 D391 T397 W421L271-Q393 HydrophobicContact CD2-CB 3.94Å; L271-Q393 HydrophobicContact CG-CB 4.22Å; L271-Q393 HydrophobicContact CG-CG 4.48Å; N388-Q393 HydrophobicContact CB-CG 4.46Å; P390-Q393 WeakPolarHBondContact O-CB 3.4Å; D391-Q393 PolarHBondContact O-N 3.06Å; Q393-T397 WeakPolarHBondContact O-CB 3.48Å; Q393-T397 PolarHBondContact O-N 3.48Å; Q393-T397 VanDerWaalsContact O-N 3.12Å; Q393-T397 PolarHBondContact O-OG1 3.39Å; Q393-W421 HydrophobicContact CB-CZ2 3.61Å
394A82.3Confident75.8Confident5 Ų556.4 Ų56.44%0.04131%0.312CS..Hα-helixtrans-68.3-43.7177.100000111.5P390 D391 I392 T397 A398 W421 L426P390-A394 PolarHBondContact O-N 3.38Å; D391-A394 WeakPolarHBondContact O-CB 3.33Å; D391-A394 PolarHBondContact O-N 3.01Å; D391-A394 VanDerWaalsContact O-N 3.07Å; I392-A394 VanDerWaalsContact C-N 3.3Å; I392-A394 PolarHBondContact O-N 2.83Å; A394-T397 PolarHBondContact O-N 3.24Å; A394-A398 WeakPolarHBondContact O-CB 3.23Å; A394-A398 PolarHBondContact O-N 3.2Å; A394-W421 HydrophobicContact CB-CD2 4.11Å; A394-W421 HydrophobicContact CB-CG 3.94Å; A394-L426 HydrophobicContact CB-CD2 3.97Å
395Q84.5Confident77Confident75 Ų7555.1 Ų55.135%0.3530%0.303SS..Hα-helixtrans-61.7-52.2177.2-69.1177-500112.1L287 D391 I392 T397 A398 V399 L426L287-Q395 HydrophobicContact CD1-CB 4.1Å; D391-Q395 PolarHBondContact O-N 3.26Å; I392-Q395 PolarHBondContact O-N 2.9Å; Q395-T397 VanDerWaalsContact C-N 3.29Å; Q395-T397 PolarHBondContact O-N 2.93Å; Q395-A398 PolarHBondContact O-N 3.47Å; Q395-A398 VanDerWaalsContact O-N 3.14Å; Q395-V399 WeakPolarHBondContact O-CG2 3.44Å; Q395-V399 PolarHBondContact O-N 2.9Å; Q395-L426 HydrophobicContact CG-CD2 4.06Å
396V86.1Confident78.5Confident0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-57.2-43.3177.4172.30000111L271 I278 L287 I292 I392 V399 I400L271-V396 HydrophobicContact CD1-CB 4.24Å; L271-V396 HydrophobicContact CD1-CG1 3.91Å; I278-V396 HydrophobicContact CD1-CG1 4.03Å; I278-V396 HydrophobicContact CD1-CG2 3.8Å; L287-V396 HydrophobicContact CD1-CG2 4.13Å; L287-V396 HydrophobicContact CD2-CG2 4.32Å; I292-V396 HydrophobicContact CD1-CG1 4.35Å; I392-V396 HydrophobicContact CG2-CG2 4.3Å; I392-V396 WeakPolarHBondContact O-CG2 3.37Å; I392-V396 PolarHBondContact O-N 3.46Å; V396-V399 PolarHBondContact O-N 3.29Å; V396-I400 HydrophobicContact CG1-CD1 3.94Å; V396-I400 VanDerWaalsContact O-CG1 3.31Å; V396-I400 WeakPolarHBondContact O-CG1 3.15Å; V396-I400 PolarHBondContact O-N 3.39Å; V396-I400 VanDerWaalsContact O-N 3.08Å
397T87.6Confident79.8Confident0 Ų051.8 Ų51.80%027%0.269CS..Hα-helixtrans-64.3-41.4177.8-54.40000112.2L271 Q393 A394 Q395 I400 I401 F411 F415 W421L271-T397 WeakPolarHBondContact CD1-OG1 3.49Å; L271-T397 WeakPolarHBondContact CD2-OG1 3.46Å; Q393-T397 WeakPolarHBondContact O-CB 3.48Å; Q393-T397 PolarHBondContact O-N 3.48Å; Q393-T397 VanDerWaalsContact O-N 3.12Å; Q393-T397 PolarHBondContact O-OG1 3.39Å; A394-T397 PolarHBondContact O-N 3.24Å; Q395-T397 VanDerWaalsContact C-N 3.29Å; Q395-T397 PolarHBondContact O-N 2.93Å; T397-I400 PolarHBondContact O-N 2.92Å; T397-I401 HydrophobicContact CG2-CD1 3.95Å; T397-I401 WeakPolarHBondContact O-CG1 3.47Å; T397-I401 PolarHBondContact O-N 3.38Å; T397-I401 VanDerWaalsContact O-N 3.08Å; T397-F411 HydrophobicContact CG2-CB 4.15Å; T397-F411 HydrophobicContact CG2-CD1 4.22Å; T397-F415 HydrophobicContact CG2-CB 3.93Å; T397-F415 HydrophobicContact CG2-CD2 3.52Å; T397-F415 HydrophobicContact CG2-CE2 4.37Å; T397-F415 HydrophobicContact CG2-CG 4.12Å; T397-W421 HydrophobicContact CG2-CH2 4.48Å; T397-W421 HydrophobicContact CG2-CZ3 4.2Å
398A86Confident81.3Confident10 Ų1045.8 Ų45.88%0.08324%0.239CC..Hα-helixtrans-64.1-40.6178.100000112.4A394 Q395 I401 A402 F415 L426 C430A394-A398 WeakPolarHBondContact O-CB 3.23Å; A394-A398 PolarHBondContact O-N 3.2Å; Q395-A398 PolarHBondContact O-N 3.47Å; Q395-A398 VanDerWaalsContact O-N 3.14Å; A398-I401 PolarHBondContact O-N 3.41Å; A398-A402 WeakPolarHBondContact O-CB 3.44Å; A398-A402 PolarHBondContact O-N 3.14Å; A398-F415 HydrophobicContact CB-CE2 4.29Å; A398-F415 HydrophobicContact CB-CZ 4.3Å; A398-L426 HydrophobicContact CB-CD2 4.11Å; A398-L426 HydrophobicContact CB-CG 4.27Å; A398-C430 HydrophobicContact CB-CB 4.24Å
399V86.7Confident82.6Confident28 Ų2847.1 Ų47.117%0.1724%0.244CC..Hα-helixtrans-67.7-38.4177.1-179.20000111.5A289 I292 Q395 V396 A402 H403A289-V399 HydrophobicContact CB-CG1 4.15Å; I292-V399 HydrophobicContact CD1-CB 3.63Å; I292-V399 HydrophobicContact CD1-CG1 3.51Å; Q395-V399 WeakPolarHBondContact O-CG2 3.44Å; Q395-V399 PolarHBondContact O-N 2.9Å; V396-V399 PolarHBondContact O-N 3.29Å; V399-A402 PolarHBondContact O-N 3.49Å; V399-H403 PolarHBondContact O-N 2.92Å; V399-H403 PolarHBondContact O-ND1 3.26Å
400I88Confident83.7Confident0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-58.2-46.2173.1-73.7167000111.5L274 I292 V396 T397 R404 L405 F411L274-I400 HydrophobicContact CD1-CD1 4.17Å; I292-I400 HydrophobicContact CD1-CG1 4.43Å; I292-I400 HydrophobicContact CG2-CD1 4.1Å; I292-I400 HydrophobicContact CG2-CG1 3.69Å; V396-I400 HydrophobicContact CG1-CD1 3.94Å; V396-I400 VanDerWaalsContact O-CG1 3.31Å; V396-I400 WeakPolarHBondContact O-CG1 3.15Å; V396-I400 PolarHBondContact O-N 3.39Å; V396-I400 VanDerWaalsContact O-N 3.08Å; T397-I400 PolarHBondContact O-N 2.92Å; I400-R404 WeakPolarHBondContact O-CA 3.47Å; I400-R404 PolarHBondContact O-N 2.94Å; I400-R404 VanDerWaalsContact O-N 3.1Å; I400-L405 HydrophobicContact CG1-CD1 4.28Å; I400-L405 HydrophobicContact CG2-CB 4.32Å; I400-L405 PolarHBondContact O-N 3.22Å; I400-F411 HydrophobicContact CD1-CD1 4.18Å; I400-F411 HydrophobicContact CD1-CD2 4.37Å; I400-F411 HydrophobicContact CD1-CE1 3.97Å; I400-F411 HydrophobicContact CD1-CE2 4.17Å; I400-F411 HydrophobicContact CD1-CG 4.38Å; I400-F411 HydrophobicContact CD1-CZ 3.97Å; I400-F411 HydrophobicContact CG2-CB 4Å; I400-F411 HydrophobicContact CG2-CD2 3.71Å; I400-F411 HydrophobicContact CG2-CE2 4.35Å; I400-F411 HydrophobicContact CG2-CG 3.89Å
401I88.1Confident84.9Confident0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-67.4-48.6-180-67.1166.5000110.4T397 A398 H403 R404 A412 F415 N434 A437 F438T397-I401 HydrophobicContact CG2-CD1 3.95Å; T397-I401 WeakPolarHBondContact O-CG1 3.47Å; T397-I401 PolarHBondContact O-N 3.38Å; T397-I401 VanDerWaalsContact O-N 3.08Å; A398-I401 PolarHBondContact O-N 3.41Å; I401-H403 PolarHBondContact O-N 3.04Å; I401-R404 PolarHBondContact O-N 3.31Å; I401-A412 HydrophobicContact CD1-CB 4.07Å; I401-A412 HydrophobicContact CG1-CB 4.23Å; I401-F415 HydrophobicContact CD1-CB 3.79Å; I401-F415 HydrophobicContact CD1-CD1 4.19Å; I401-F415 HydrophobicContact CD1-CD2 4.35Å; I401-F415 HydrophobicContact CD1-CG 3.89Å; I401-N434 HydrophobicContact CG2-CB 3.81Å; I401-A437 HydrophobicContact CG2-CB 3.94Å; I401-F438 HydrophobicContact CD1-CZ 4.05Å; I401-F438 HydrophobicContact CG2-CE2 4.17Å; I401-F438 HydrophobicContact CG2-CZ 4.2Å
402A87Confident85.8Confident45 Ų4538.6 Ų38.637%0.37219%0.191SC..Hα-helixtrans-60.1-41.4-177.900000113.2A398 V399 N434A398-A402 WeakPolarHBondContact O-CB 3.44Å; A398-A402 PolarHBondContact O-N 3.14Å; V399-A402 PolarHBondContact O-N 3.49Å; A402-N434 WeakPolarHBondContact CA-OD1 3.49Å
403H85.3Confident86.4Confident107 Ų10738.4 Ų38.450%0.49519%0.19SC..THydrogen-bonded Turntrans-93.95.2-179.2-6187.1000113.8A289 V399 I401 L405A289-H403 HydrophobicContact CB-CB 4.02Å; V399-H403 PolarHBondContact O-N 2.92Å; V399-H403 PolarHBondContact O-ND1 3.26Å; I401-H403 PolarHBondContact O-N 3.04Å; H403-L405 VanDerWaalsContact C-N 3.31Å; H403-L405 HydrophobicContact CB-CD2 3.89Å; H403-L405 HydrophobicContact CB-CG 3.95Å; H403-L405 PolarHBondContact O-N 2.91Å
404R85.8Confident86.7Confident163 Ų16338.1 Ų38.162%0.61519%0.189SC*.THydrogen-bonded Turntrans47.949.1-178.5-54.2-175.8-169.81794.5113I400 I401 Y408I400-R404 WeakPolarHBondContact O-CA 3.47Å; I400-R404 PolarHBondContact O-N 2.94Å; I400-R404 VanDerWaalsContact O-N 3.1Å; I401-R404 PolarHBondContact O-N 3.31Å; R404-Y408 HydrophobicContact CB-CD1 4.02Å; R404-Y408 HydrophobicContact CB-CD2 4.4Å; R404-Y408 HydrophobicContact CB-CE1 4.04Å; R404-Y408 HydrophobicContact CB-CE2 4.44Å; R404-Y408 HydrophobicContact CB-CG 4.2Å; R404-Y408 HydrophobicContact CG-CD2 4.37Å; R404-Y408 HydrophobicContact CG-CE2 4.22Å
405L85.8Confident86.9Confident12 Ų1238 Ų386%0.06319%0.187CC..  trans-72.6-174.8-180-55.8-176.5000111.5I292 I400 H403 D407 Y408I292-L405 HydrophobicContact CB-CD1 3.85Å; I292-L405 HydrophobicContact CG2-CD1 3.66Å; I400-L405 HydrophobicContact CG1-CD1 4.28Å; I400-L405 HydrophobicContact CG2-CB 4.32Å; I400-L405 PolarHBondContact O-N 3.22Å; H403-L405 VanDerWaalsContact C-N 3.31Å; H403-L405 HydrophobicContact CB-CD2 3.89Å; H403-L405 HydrophobicContact CB-CG 3.95Å; H403-L405 PolarHBondContact O-N 2.91Å; L405-D407 PolarHBondContact O-N 3.12Å; L405-Y408 WeakPolarHBondContact O-CB 3.36Å; L405-Y408 WeakPolarHBondContact O-CD1 3.41Å; L405-Y408 PolarHBondContact O-N 3.11Å
406Q83.4Confident87.1Confident83 Ų8334.4 Ų34.439%0.38817%0.17SC..THydrogen-bonded Turntrans-58.6141.7-177.1-169.3176.9-8.100111.3Q296 Y408Q296-Q406 PolarHBondContact NE2-O 3.49Å; Q406-Y408 PolarHBondContact O-N 2.76Å
407D85.3Confident87Confident54 Ų5435.9 Ų35.929%0.28919%0.186SC..THydrogen-bonded Turntrans5817-177.8-56.5-17.1000116I267 K270 L405 H409 S410 F411I267-D407 HydrophobicContact CD1-CB 4.32Å; K270-D407 IonicContact NZ-OD2 3.89Å; K270-D407 PolarHBondContact NZ-OD2 2.79Å; L405-D407 PolarHBondContact O-N 3.12Å; D407-H409 PolarHBondContact O-N 2.76Å; D407-S410 WeakPolarHBondContact O-CB 3.27Å; D407-S410 PolarHBondContact O-N 3.39Å; D407-F411 HydrophobicContact CB-CD2 3.96Å; D407-F411 HydrophobicContact CB-CE2 3.93Å; D407-F411 WeakPolarHBondContact O-CD2 3.38Å; D407-F411 PolarHBondContact O-N 3.27Å; D407-F411 VanDerWaalsContact O-N 3.12Å
408Y87.6Confident86.9Confident56 Ų5638.2 Ų38.222%0.2220%0.196CC..Hα-helixtrans-54.2-30.9-169.777.2-85.3000115.8R404 L405 Q406 F411 A412 A437R404-Y408 HydrophobicContact CB-CD1 4.02Å; R404-Y408 HydrophobicContact CB-CD2 4.4Å; R404-Y408 HydrophobicContact CB-CE1 4.04Å; R404-Y408 HydrophobicContact CB-CE2 4.44Å; R404-Y408 HydrophobicContact CB-CG 4.2Å; R404-Y408 HydrophobicContact CG-CD2 4.37Å; R404-Y408 HydrophobicContact CG-CE2 4.22Å; L405-Y408 WeakPolarHBondContact O-CB 3.36Å; L405-Y408 WeakPolarHBondContact O-CD1 3.41Å; L405-Y408 PolarHBondContact O-N 3.11Å; Q406-Y408 PolarHBondContact O-N 2.76Å; Y408-F411 PolarHBondContact O-N 3.11Å; Y408-A412 WeakPolarHBondContact O-CB 3.5Å; Y408-A412 PolarHBondContact O-N 3.35Å; Y408-A437 HydrophobicContact CD2-CB 4.17Å; Y408-A437 HydrophobicContact CE2-CB 4.14Å
409H86.6Confident86.5Confident59 Ų5939.6 Ų39.627%0.27321%0.207SC..Hα-helixtrans-64-42174.1-77.2-56000112.8D407 A412 E413 A437 Q440D407-H409 PolarHBondContact O-N 2.76Å; H409-A412 WeakPolarHBondContact O-CB 3.23Å; H409-A412 PolarHBondContact O-N 3.5Å; H409-E413 PolarHBondContact O-N 2.66Å; H409-A437 PolarHBondContact ND1-O 2.8Å; H409-Q440 VanDerWaalsContact CG-NE2 3.29Å; H409-Q440 PolarHBondContact ND1-NE2 3.31Å
410S87.5Confident86.2Confident47 Ų4742 Ų4233%0.32923%0.226SC..Hα-helixtrans-73-33.3179.2-41.90000111.2D407 E413 L414D407-S410 WeakPolarHBondContact O-CB 3.27Å; D407-S410 PolarHBondContact O-N 3.39Å; S410-E413 PolarHBondContact O-N 3.39Å; S410-L414 PolarHBondContact O-N 3.02Å; S410-L414 VanDerWaalsContact O-N 3.09Å
411F89.5Confident85.9Confident2 Ų242.5 Ų42.51%0.00923%0.228CC..Hα-helixtrans-65.3-38.6167.1-79.3-76.7000112.1I267 K270 L271 L274 T397 I400 D407 Y408 L414 F415I267-F411 HydrophobicContact CG2-CD1 3.64Å; I267-F411 HydrophobicContact CG2-CD2 4.27Å; I267-F411 HydrophobicContact CG2-CE1 3.71Å; I267-F411 HydrophobicContact CG2-CE2 4.34Å; I267-F411 HydrophobicContact CG2-CG 3.94Å; I267-F411 HydrophobicContact CG2-CZ 4.06Å; K270-F411 HydrophobicContact CB-CZ 4.34Å; L271-F411 HydrophobicContact CB-CE1 4.03Å; L271-F411 HydrophobicContact CD1-CE1 4.08Å; L274-F411 HydrophobicContact CD1-CZ 4.1Å; T397-F411 HydrophobicContact CG2-CB 4.15Å; T397-F411 HydrophobicContact CG2-CD1 4.22Å; I400-F411 HydrophobicContact CD1-CD1 4.18Å; I400-F411 HydrophobicContact CD1-CD2 4.37Å; I400-F411 HydrophobicContact CD1-CE1 3.97Å; I400-F411 HydrophobicContact CD1-CE2 4.17Å; I400-F411 HydrophobicContact CD1-CG 4.38Å; I400-F411 HydrophobicContact CD1-CZ 3.97Å; I400-F411 HydrophobicContact CG2-CB 4Å; I400-F411 HydrophobicContact CG2-CD2 3.71Å; I400-F411 HydrophobicContact CG2-CE2 4.35Å; I400-F411 HydrophobicContact CG2-CG 3.89Å; D407-F411 HydrophobicContact CB-CD2 3.96Å; D407-F411 HydrophobicContact CB-CE2 3.93Å; D407-F411 WeakPolarHBondContact O-CD2 3.38Å; D407-F411 PolarHBondContact O-N 3.27Å; D407-F411 VanDerWaalsContact O-N 3.12Å; Y408-F411 PolarHBondContact O-N 3.11Å; F411-L414 PolarHBondContact O-N 3.45Å; F411-F415 WeakPolarHBondContact O-CB 3.37Å; F411-F415 PolarHBondContact O-N 3.12Å
412A89.3Confident85.3Confident0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-65.9-37173.600000112.6I401 Y408 H409 F415 A416 A437 F438 T443I401-A412 HydrophobicContact CD1-CB 4.07Å; I401-A412 HydrophobicContact CG1-CB 4.23Å; Y408-A412 WeakPolarHBondContact O-CB 3.5Å; Y408-A412 PolarHBondContact O-N 3.35Å; H409-A412 WeakPolarHBondContact O-CB 3.23Å; H409-A412 PolarHBondContact O-N 3.5Å; A412-F415 PolarHBondContact O-N 2.86Å; A412-A416 VanDerWaalsContact O-CB 3.31Å; A412-A416 WeakPolarHBondContact O-CB 3.46Å; A412-A416 PolarHBondContact O-N 2.96Å; A412-A437 HydrophobicContact CB-CB 4.38Å; A412-F438 HydrophobicContact CB-CD1 4Å; A412-F438 HydrophobicContact CB-CE1 3.78Å; A412-F438 HydrophobicContact CB-CZ 4.27Å; A412-T443 HydrophobicContact CB-CG2 4.47Å
413E89.3Confident84.7Confident34 Ų3446.1 Ų46.116%0.15924%0.237CC..Hα-helixtrans-62.8-42.2171.9-170.6178.5-177.300111.7H409 S410 G417 T443 R446H409-E413 PolarHBondContact O-N 2.66Å; S410-E413 PolarHBondContact O-N 3.39Å; E413-G417 PolarHBondContact O-N 3.34Å; E413-T443 WeakPolarHBondContact CB-OG1 3.45Å; E413-R446 VanDerWaalsContact CD-NH2 3.25Å; E413-R446 HydrophobicContact CG-CG 4.42Å; E413-R446 VanDerWaalsContact CG-NE 3.26Å; E413-R446 WeakPolarHBondContact O-CD 3.25Å; E413-R446 IonicContact OE1-CZ 3.82Å; E413-R446 IonicContact OE1-NE 3.93Å; E413-R446 PolarHBondContact OE1-NE 3.08Å; E413-R446 IonicContact OE1-NH2 2.7Å; E413-R446 PolarHBondContact OE1-NH2 2.97Å; E413-R446 IonicContact OE2-NH2 3.87Å
414L88.4Confident84.3Confident21 Ų2143.3 Ų43.311%0.1123%0.229CC..Hα-helixtrans-65.2-43.3174.1-179.361.7000112.1I267 T268 L271 S410 F411 G417 K418 W421I267-L414 HydrophobicContact CG2-CB 4.45Å; I267-L414 HydrophobicContact CG2-CD2 3.99Å; T268-L414 HydrophobicContact CG2-CD1 3.85Å; T268-L414 HydrophobicContact CG2-CD2 4.05Å; L271-L414 HydrophobicContact CD2-CD2 4.01Å; S410-L414 PolarHBondContact O-N 3.02Å; S410-L414 VanDerWaalsContact O-N 3.09Å; F411-L414 PolarHBondContact O-N 3.45Å; L414-G417 PolarHBondContact O-N 3.47Å; L414-K418 HydrophobicContact CD1-CD 4.24Å; L414-K418 HydrophobicContact CD1-CG 4.27Å; L414-K418 PolarHBondContact O-N 2.97Å; L414-W421 HydrophobicContact CD2-CH2 4.31Å; L414-W421 HydrophobicContact CG-CH2 4.32Å; L414-W421 HydrophobicContact CG-CZ3 4.28Å
415F88.4Confident84.1Confident1 Ų141 Ų410%0.00423%0.225CC..Hα-helixtrans-63.1-42.1179.3-162.2-102.2000111.9T397 A398 I401 F411 A412 G417 W421 W427 C430 F438T397-F415 HydrophobicContact CG2-CB 3.93Å; T397-F415 HydrophobicContact CG2-CD2 3.52Å; T397-F415 HydrophobicContact CG2-CE2 4.37Å; T397-F415 HydrophobicContact CG2-CG 4.12Å; A398-F415 HydrophobicContact CB-CE2 4.29Å; A398-F415 HydrophobicContact CB-CZ 4.3Å; I401-F415 HydrophobicContact CD1-CB 3.79Å; I401-F415 HydrophobicContact CD1-CD1 4.19Å; I401-F415 HydrophobicContact CD1-CD2 4.35Å; I401-F415 HydrophobicContact CD1-CG 3.89Å; F411-F415 WeakPolarHBondContact O-CB 3.37Å; F411-F415 PolarHBondContact O-N 3.12Å; A412-F415 PolarHBondContact O-N 2.86Å; F415-G417 VanDerWaalsContact C-N 3.29Å; F415-G417 PolarHBondContact O-N 3.32Å; F415-W421 HydrophobicContact CB-CZ3 4.31Å; F415-W421 AromaticContact CD2-CE3 3.67Å; F415-W421 HydrophobicContact CD2-CE3 3.67Å; F415-W421 AromaticContact CD2-CZ3 3.76Å; F415-W421 HydrophobicContact CD2-CZ3 3.76Å; F415-W421 HydrophobicContact CE2-CE3 4.32Å; F415-W421 HydrophobicContact CG-CE3 4.34Å; F415-W421 HydrophobicContact CG-CZ3 4.43Å; F415-W427 AromaticContact CD1-CD1 3.58Å; F415-W427 AromaticContact CD1-NE1 3.74Å; F415-W427 HydrophobicContact CE1-CB 4.35Å; F415-W427 AromaticContact CE1-CD1 3.29Å; F415-W427 AromaticContact CE1-CG 3.93Å; F415-W427 HydrophobicContact CE1-CG 3.93Å; F415-W427 AromaticContact CE1-NE1 3.9Å; F415-W427 HydrophobicContact CZ-CB 4.27Å; F415-W427 AromaticContact CZ-CD1 3.62Å; F415-W427 HydrophobicContact CZ-CG 4.23Å; F415-W427 PolarHBondContact O-NE1 3.34Å; F415-C430 HydrophobicContact CE1-CB 3.7Å; F415-C430 HydrophobicContact CZ-CB 3.74Å; F415-F438 HydrophobicContact CD1-CE1 4.15Å; F415-F438 AromaticContact CD1-CZ 4Å; F415-F438 HydrophobicContact CD1-CZ 4Å
416A87.7Confident84Confident0 Ų043.5 Ų43.50%024%0.239CC..Hα-helixtrans-64.3-29.4174.700000113.8A412 F438 T443 R446 L447 T450A412-A416 VanDerWaalsContact O-CB 3.31Å; A412-A416 WeakPolarHBondContact O-CB 3.46Å; A412-A416 PolarHBondContact O-N 2.96Å; A416-F438 HydrophobicContact CB-CD1 4.4Å; A416-T443 HydrophobicContact CB-CG2 3.9Å; A416-R446 HydrophobicContact CB-CB 4.3Å; A416-L447 HydrophobicContact CB-CB 3.98Å; A416-T450 WeakPolarHBondContact O-CB 3.44Å; A416-T450 PolarHBondContact O-OG1 3.05Å
417G84.3Confident84.1Confident32 Ų3239.7 Ų39.733%0.3322%0.221SC..Hα-helixtrans-93.2-17.3-174.300000116.7E413 L414 F415 A419E413-G417 PolarHBondContact O-N 3.34Å; L414-G417 PolarHBondContact O-N 3.47Å; F415-G417 VanDerWaalsContact C-N 3.29Å; F415-G417 PolarHBondContact O-N 3.32Å; G417-A419 PolarHBondContact O-N 3.5Å
418K84.4Confident84.1Confident48 Ų4837.2 Ų37.221%0.20921%0.207CC..  trans-86.196.8-177.7-92.7-176.1169.8-176.20112L414 S420 W421 A422L414-K418 HydrophobicContact CD1-CD 4.24Å; L414-K418 HydrophobicContact CD1-CG 4.27Å; L414-K418 PolarHBondContact O-N 2.97Å; K418-S420 PolarHBondContact O-N 3.29Å; K418-W421 HydrophobicContact CB-CB 4.5Å; K418-W421 HydrophobicContact CB-CD2 3.84Å; K418-W421 HydrophobicContact CB-CE3 3.68Å; K418-W421 HydrophobicContact CB-CG 4.2Å; K418-W421 HydrophobicContact CB-CZ3 4.27Å; K418-W421 HydrophobicContact CD-CD2 3.66Å; K418-W421 HydrophobicContact CD-CE3 3.72Å; K418-W421 HydrophobicContact CD-CG 4.5Å; K418-W421 HydrophobicContact CD-CH2 3.54Å; K418-W421 HydrophobicContact CD-CZ2 3.45Å; K418-W421 VanDerWaalsContact CD-CZ2 3.45Å; K418-W421 HydrophobicContact CD-CZ3 3.66Å; K418-W421 HydrophobicContact CG-CD2 4.42Å; K418-W421 HydrophobicContact CG-CE3 4.3Å; K418-W421 HydrophobicContact CG-CZ3 4.47Å; K418-W421 PolarHBondContact O-N 3.41Å; K418-A422 PolarHBondContact O-N 3.3Å
419A78.6Confident84.1Confident39 Ų3940.7 Ų40.732%0.32223%0.225SC..THydrogen-bonded Turntrans-59.1-25.2177.100000114.7G417 A422 H423 T450G417-A419 PolarHBondContact O-N 3.5Å; A419-A422 PolarHBondContact O-N 3.34Å; A419-H423 PolarHBondContact O-CE1 3.35Å; A419-H423 PolarHBondContact O-ND1 3.33Å; A419-T450 HydrophobicContact CB-CG2 4.14Å
420S79.6Confident84.1Confident80 Ų8038.2 Ų38.256%0.55922%0.215SC*.THydrogen-bonded Turntrans-61.7-49.1173.649.60000112K418 A422 H423K418-S420 PolarHBondContact O-N 3.29Å; S420-A422 VanDerWaalsContact C-N 3.29Å; S420-A422 PolarHBondContact O-N 2.85Å; S420-H423 PolarHBondContact O-N 3.05Å; S420-H423 PolarHBondContact O-ND1 2.95Å
421W83.1Confident84.2Confident9 Ų936 Ų363%0.03420%0.199CC..G310 helixtrans-66.6-29.2179.2-63.6-22.3000113.4L271 P390 Q393 A394 T397 L414 F415 K418 H423 S424 W427L271-W421 HydrophobicContact CD2-CH2 3.53Å; L271-W421 HydrophobicContact CD2-CZ2 3.88Å; P390-W421 PolarHBondContact O-NE1 3.2Å; P390-W421 VanDerWaalsContact O-NE1 3.08Å; Q393-W421 HydrophobicContact CB-CZ2 3.61Å; A394-W421 HydrophobicContact CB-CD2 4.11Å; A394-W421 HydrophobicContact CB-CG 3.94Å; T397-W421 HydrophobicContact CG2-CH2 4.48Å; T397-W421 HydrophobicContact CG2-CZ3 4.2Å; L414-W421 HydrophobicContact CD2-CH2 4.31Å; L414-W421 HydrophobicContact CG-CH2 4.32Å; L414-W421 HydrophobicContact CG-CZ3 4.28Å; F415-W421 HydrophobicContact CB-CZ3 4.31Å; F415-W421 AromaticContact CD2-CE3 3.67Å; F415-W421 HydrophobicContact CD2-CE3 3.67Å; F415-W421 AromaticContact CD2-CZ3 3.76Å; F415-W421 HydrophobicContact CD2-CZ3 3.76Å; F415-W421 HydrophobicContact CE2-CE3 4.32Å; F415-W421 HydrophobicContact CG-CE3 4.34Å; F415-W421 HydrophobicContact CG-CZ3 4.43Å; K418-W421 HydrophobicContact CB-CB 4.5Å; K418-W421 HydrophobicContact CB-CD2 3.84Å; K418-W421 HydrophobicContact CB-CE3 3.68Å; K418-W421 HydrophobicContact CB-CG 4.2Å; K418-W421 HydrophobicContact CB-CZ3 4.27Å; K418-W421 HydrophobicContact CD-CD2 3.66Å; K418-W421 HydrophobicContact CD-CE3 3.72Å; K418-W421 HydrophobicContact CD-CG 4.5Å; K418-W421 HydrophobicContact CD-CH2 3.54Å; K418-W421 HydrophobicContact CD-CZ2 3.45Å; K418-W421 VanDerWaalsContact CD-CZ2 3.45Å; K418-W421 HydrophobicContact CD-CZ3 3.66Å; K418-W421 HydrophobicContact CG-CD2 4.42Å; K418-W421 HydrophobicContact CG-CE3 4.3Å; K418-W421 HydrophobicContact CG-CZ3 4.47Å; K418-W421 PolarHBondContact O-N 3.41Å; W421-H423 PolarHBondContact O-N 3.12Å; W421-S424 WeakPolarHBondContact O-CB 3.41Å; W421-S424 PolarHBondContact O-N 2.91Å; W421-W427 WeakPolarHBondContact O-CB 3.24Å
422A75.3Confident84.1Confident0 Ų038.3 Ų38.30%021%0.212CC..G310 helixtrans-66-3.1-178.500000114.9K418 A419 S420 W427 T450 L454 R464K418-A422 PolarHBondContact O-N 3.3Å; A419-A422 PolarHBondContact O-N 3.34Å; S420-A422 VanDerWaalsContact C-N 3.29Å; S420-A422 PolarHBondContact O-N 2.85Å; A422-W427 VanDerWaalsContact CA-CD2 3.49Å; A422-W427 HydrophobicContact CB-CD2 3.68Å; A422-W427 HydrophobicContact CB-CE3 3.66Å; A422-W427 HydrophobicContact CB-CG 4.37Å; A422-W427 HydrophobicContact CB-CH2 3.72Å; A422-W427 HydrophobicContact CB-CZ2 3.73Å; A422-W427 HydrophobicContact CB-CZ3 3.68Å; A422-T450 HydrophobicContact CB-CG2 4.04Å; A422-L454 HydrophobicContact CB-CD1 3.65Å; A422-L454 HydrophobicContact CB-CD2 4.33Å; A422-R464 PolarHBondContact O-NH2 3.47Å
423H72.8Confident84Confident121 Ų12145.1 Ų45.156%0.5624%0.243SC*.G310 helixtrans-79.2-21.1169.4-70.379.7000113.4A419 S420 W421 R464A419-H423 PolarHBondContact O-CE1 3.35Å; A419-H423 PolarHBondContact O-ND1 3.33Å; S420-H423 PolarHBondContact O-N 3.05Å; S420-H423 PolarHBondContact O-ND1 2.95Å; W421-H423 PolarHBondContact O-N 3.12Å; H423-R464 VanDerWaalsContact C-NH2 3.34Å; H423-R464 VanDerWaalsContact CA-NH2 3.31Å; H423-R464 PolarHBondContact O-NH1 2.7Å; H423-R464 PolarHBondContact O-NH2 2.82Å
424S78.6Confident84Confident49 Ų4945 Ų4534%0.34324%0.244SC..SBendtrans-90.5144.4-175.9-178.10000113.9W421 L426 W427W421-S424 WeakPolarHBondContact O-CB 3.41Å; W421-S424 PolarHBondContact O-N 2.91Å; S424-L426 PolarHBondContact O-N 3.36Å; S424-L426 PolarHBondContact OG-N 3.31Å; S424-W427 WeakPolarHBondContact O-CB 3.49Å; S424-W427 PolarHBondContact O-N 3.4Å; S424-W427 VanDerWaalsContact O-N 3.12Å
425E81.5Confident84Confident114 Ų11446 Ų4653%0.53325%0.248SC..Hα-helixtrans-63.5-27.5173.3-67.7-52.611900113W427 V428 H429 R464E425-W427 PolarHBondContact O-N 3.18Å; E425-V428 PolarHBondContact O-N 3.17Å; E425-H429 WeakPolarHBondContact O-CB 3.33Å; E425-H429 PolarHBondContact O-N 3.1Å; E425-R464 WeakPolarHBondContact OE1-CD 3.22Å; E425-R464 IonicContact OE1-CZ 2.74Å; E425-R464 IonicContact OE1-NE 3.47Å; E425-R464 IonicContact OE1-NH1 3.54Å; E425-R464 PolarHBondContact OE1-NH1 3.11Å
426L83.1Confident84Confident65 Ų6548.1 Ų48.134%0.3427%0.266SS..Hα-helixtrans-54.5-39172.5-174.587.4000111.4A394 Q395 A398 S424 C430A394-L426 HydrophobicContact CB-CD2 3.97Å; Q395-L426 HydrophobicContact CG-CD2 4.06Å; A398-L426 HydrophobicContact CB-CD2 4.11Å; A398-L426 HydrophobicContact CB-CG 4.27Å; S424-L426 PolarHBondContact O-N 3.36Å; S424-L426 PolarHBondContact OG-N 3.31Å; L426-C430 WeakPolarHBondContact O-CB 3.23Å; L426-C430 PolarHBondContact O-N 3.36Å
427W86.4Confident83.9Confident3 Ų348.5 Ų48.51%0.01127%0.269CS..Hα-helixtrans-67.5-45.5-178.8-17182.5000111.5F415 W421 A422 S424 E425 C430 L431 L447 T450 L454 L468F415-W427 AromaticContact CD1-CD1 3.58Å; F415-W427 AromaticContact CD1-NE1 3.74Å; F415-W427 HydrophobicContact CE1-CB 4.35Å; F415-W427 AromaticContact CE1-CD1 3.29Å; F415-W427 AromaticContact CE1-CG 3.93Å; F415-W427 HydrophobicContact CE1-CG 3.93Å; F415-W427 AromaticContact CE1-NE1 3.9Å; F415-W427 HydrophobicContact CZ-CB 4.27Å; F415-W427 AromaticContact CZ-CD1 3.62Å; F415-W427 HydrophobicContact CZ-CG 4.23Å; F415-W427 PolarHBondContact O-NE1 3.34Å; W421-W427 WeakPolarHBondContact O-CB 3.24Å; A422-W427 VanDerWaalsContact CA-CD2 3.49Å; A422-W427 HydrophobicContact CB-CD2 3.68Å; A422-W427 HydrophobicContact CB-CE3 3.66Å; A422-W427 HydrophobicContact CB-CG 4.37Å; A422-W427 HydrophobicContact CB-CH2 3.72Å; A422-W427 HydrophobicContact CB-CZ2 3.73Å; A422-W427 HydrophobicContact CB-CZ3 3.68Å; S424-W427 WeakPolarHBondContact O-CB 3.49Å; S424-W427 PolarHBondContact O-N 3.4Å; S424-W427 VanDerWaalsContact O-N 3.12Å; E425-W427 PolarHBondContact O-N 3.18Å; W427-C430 PolarHBondContact O-N 3.09Å; W427-L431 HydrophobicContact CD2-CD1 3.64Å; W427-L431 HydrophobicContact CE3-CD1 3.58Å; W427-L431 HydrophobicContact CG-CD1 4.45Å; W427-L431 HydrophobicContact CH2-CD1 3.72Å; W427-L431 HydrophobicContact CZ2-CD1 3.78Å; W427-L431 HydrophobicContact CZ3-CD1 3.63Å; W427-L431 WeakPolarHBondContact O-CB 3.33Å; W427-L431 WeakPolarHBondContact O-CG 3.43Å; W427-L431 PolarHBondContact O-N 3.18Å; W427-L431 VanDerWaalsContact O-N 3.1Å; W427-L447 HydrophobicContact CH2-CD1 3.61Å; W427-L447 HydrophobicContact CZ2-CD1 3.68Å; W427-T450 HydrophobicContact CH2-CG2 4.33Å; W427-T450 HydrophobicContact CZ2-CG2 4.2Å; W427-L454 HydrophobicContact CH2-CD1 4.4Å; W427-L454 HydrophobicContact CZ3-CD1 4.37Å; W427-L468 HydrophobicContact CE3-CD2 4.01Å; W427-L468 HydrophobicContact CH2-CD2 4.36Å; W427-L468 HydrophobicContact CZ3-CD1 3.81Å; W427-L468 HydrophobicContact CZ3-CD2 3.47Å; W427-L468 VanDerWaalsContact CZ3-CD2 3.47Å; W427-L468 HydrophobicContact CZ3-CG 4.27Å
428V85.1Confident84.1Confident2 Ų247 Ų471%0.01225%0.253CS..Hα-helixtrans-66.3-43.2177.9-1700000111.2E425 L431 D432 R464 K467 L468 I471E425-V428 PolarHBondContact O-N 3.17Å; V428-L431 PolarHBondContact O-N 3.12Å; V428-D432 WeakPolarHBondContact O-CB 3.33Å; V428-D432 PolarHBondContact O-N 2.93Å; V428-D432 VanDerWaalsContact O-N 3.09Å; V428-R464 HydrophobicContact CG2-CG 3.94Å; V428-K467 HydrophobicContact CG1-CD 3.95Å; V428-L468 HydrophobicContact CG1-CD2 4.12Å; V428-L468 HydrophobicContact CG2-CD1 4.48Å; V428-L468 HydrophobicContact CG2-CD2 4.17Å; V428-I471 HydrophobicContact CG1-CD1 4.36Å
429H87.4Confident84.2Confident129 Ų12950 Ų5060%0.59726%0.263SS*.Hα-helixtrans-64.4-43.6177.8-171.1-63.3000112E425 D432 E433E425-H429 WeakPolarHBondContact O-CB 3.33Å; E425-H429 PolarHBondContact O-N 3.1Å; H429-D432 PolarHBondContact O-N 2.88Å; H429-E433 PolarHBondContact O-N 3.35Å
430C87Confident84.5Confident7 Ų752 Ų525%0.04727%0.265CS..Hα-helixtrans-63.4-42.6178.6-176.70000111.7A398 F415 L426 W427 N434A398-C430 HydrophobicContact CB-CB 4.24Å; F415-C430 HydrophobicContact CE1-CB 3.7Å; F415-C430 HydrophobicContact CZ-CB 3.74Å; L426-C430 WeakPolarHBondContact O-CB 3.23Å; L426-C430 PolarHBondContact O-N 3.36Å; W427-C430 PolarHBondContact O-N 3.09Å; C430-N434 VanDerWaalsContact O-CB 3.23Å; C430-N434 WeakPolarHBondContact O-CB 3.31Å; C430-N434 PolarHBondContact O-N 3.4Å; C430-N434 PolarHBondContact O-ND2 2.93Å
431L88.1Confident84.7Confident1 Ų150.4 Ų50.41%0.00525%0.249CC..Hα-helixtrans-62.3-42.2176-77.3166.5000113.2W427 V428 Q435 F438 L447 L468 I471W427-L431 HydrophobicContact CD2-CD1 3.64Å; W427-L431 HydrophobicContact CE3-CD1 3.58Å; W427-L431 HydrophobicContact CG-CD1 4.45Å; W427-L431 HydrophobicContact CH2-CD1 3.72Å; W427-L431 HydrophobicContact CZ2-CD1 3.78Å; W427-L431 HydrophobicContact CZ3-CD1 3.63Å; W427-L431 WeakPolarHBondContact O-CB 3.33Å; W427-L431 WeakPolarHBondContact O-CG 3.43Å; W427-L431 PolarHBondContact O-N 3.18Å; W427-L431 VanDerWaalsContact O-N 3.1Å; V428-L431 PolarHBondContact O-N 3.12Å; L431-Q435 VanDerWaalsContact O-CG 3.25Å; L431-Q435 WeakPolarHBondContact O-CG 3.48Å; L431-Q435 PolarHBondContact O-N 2.98Å; L431-F438 HydrophobicContact CD2-CD1 3.73Å; L431-F438 HydrophobicContact CD2-CD2 3.96Å; L431-F438 HydrophobicContact CD2-CE1 3.59Å; L431-F438 HydrophobicContact CD2-CE2 3.82Å; L431-F438 HydrophobicContact CD2-CG 3.93Å; L431-F438 HydrophobicContact CD2-CZ 3.64Å; L431-F438 HydrophobicContact CG-CZ 4.36Å; L431-L447 HydrophobicContact CD1-CD1 3.9Å; L431-L447 HydrophobicContact CD2-CD1 3.99Å; L431-L447 HydrophobicContact CD2-CD2 4.15Å; L431-L468 HydrophobicContact CD1-CD2 4.01Å; L431-I471 HydrophobicContact CB-CG2 4.24Å
432D87.8Confident84.8Confident50 Ų5058.4 Ų58.427%0.26728%0.279SS..Hα-helixtrans-69.5-44.8-174.9-15416.5000112V428 H429 Q435 K467 I471V428-D432 WeakPolarHBondContact O-CB 3.33Å; V428-D432 PolarHBondContact O-N 2.93Å; V428-D432 VanDerWaalsContact O-N 3.09Å; H429-D432 PolarHBondContact O-N 2.88Å; D432-Q435 WeakPolarHBondContact O-CG 3.44Å; D432-Q435 PolarHBondContact O-NE2 3.16Å; D432-K467 WeakPolarHBondContact OD2-CE 3.42Å; D432-K467 IonicContact OD2-NZ 3.97Å; D432-K467 PolarHBondContact OD2-NZ 3.32Å; D432-I471 HydrophobicContact CB-CD1 3.84Å; D432-I471 HydrophobicContact CB-CG1 4.5Å
433E88Confident85.4Confident142 Ų14258.4 Ų58.466%0.66428%0.279SS*.Hα-helixtrans-72.3-36.5176.7-70.6-66.5124.200112.7H429H429-E433 PolarHBondContact O-N 3.35Å
434N88.9Confident86.2Confident32 Ų3252.6 Ų52.617%0.17125%0.253CS..THydrogen-bonded Turntrans-108.524.7-167.5-58.9-81.3000114.5I401 A402 C430 A436 A437 F438I401-N434 HydrophobicContact CG2-CB 3.81Å; A402-N434 WeakPolarHBondContact CA-OD1 3.49Å; C430-N434 VanDerWaalsContact O-CB 3.23Å; C430-N434 WeakPolarHBondContact O-CB 3.31Å; C430-N434 PolarHBondContact O-N 3.4Å; C430-N434 PolarHBondContact O-ND2 2.93Å; N434-A436 PolarHBondContact O-N 3.17Å; N434-A437 WeakPolarHBondContact O-CB 3.5Å; N434-A437 PolarHBondContact O-N 2.86Å; N434-F438 HydrophobicContact CB-CE2 4.14Å; N434-F438 VanDerWaalsContact O-CD2 3.32Å; N434-F438 WeakPolarHBondContact O-CD2 3.5Å
435Q88.8Confident86.6Confident42 Ų4251.9 Ų51.920%0.19625%0.245CC..G310 helixtrans-43-34.5-178.7-67.1-178.825.800114.6L431 D432 A437 F438 I471 I475L431-Q435 VanDerWaalsContact O-CG 3.25Å; L431-Q435 WeakPolarHBondContact O-CG 3.48Å; L431-Q435 PolarHBondContact O-N 2.98Å; D432-Q435 WeakPolarHBondContact O-CG 3.44Å; D432-Q435 PolarHBondContact O-NE2 3.16Å; Q435-A437 VanDerWaalsContact C-N 3.31Å; Q435-A437 PolarHBondContact O-N 3.07Å; Q435-F438 PolarHBondContact O-N 3.05Å; Q435-I471 HydrophobicContact CG-CG2 4.38Å; Q435-I475 HydrophobicContact CB-CD1 4.49Å; Q435-I475 HydrophobicContact CB-CG1 3.78Å; Q435-I475 HydrophobicContact CG-CD1 4.35Å; Q435-I475 HydrophobicContact CG-CG1 3.87Å
436A86.9Confident86.9Confident46 Ų4651.6 Ų51.638%0.3824%0.239SC..G310 helixtrans-59.7-33.2176.900000114.4N434 F438N434-A436 PolarHBondContact O-N 3.17Å; A436-F438 VanDerWaalsContact C-N 3.31Å
437A86Confident87.2Confident7 Ų748.6 Ų48.66%0.05822%0.223CC..G310 helixtrans-71.1-26.9178.100000112.8I401 Y408 H409 A412 N434 Q435I401-A437 HydrophobicContact CG2-CB 3.94Å; Y408-A437 HydrophobicContact CD2-CB 4.17Å; Y408-A437 HydrophobicContact CE2-CB 4.14Å; H409-A437 PolarHBondContact ND1-O 2.8Å; A412-A437 HydrophobicContact CB-CB 4.38Å; N434-A437 WeakPolarHBondContact O-CB 3.5Å; N434-A437 PolarHBondContact O-N 2.86Å; Q435-A437 VanDerWaalsContact C-N 3.31Å; Q435-A437 PolarHBondContact O-N 3.07Å
438F88.8Confident87.3Confident0 Ų048.5 Ų48.50%022%0.223CC..G310 helixtrans-92.33-175.1-58.8-85.4000114I401 A412 F415 A416 L431 N434 Q435 A436 Q440 T443 I475I401-F438 HydrophobicContact CD1-CZ 4.05Å; I401-F438 HydrophobicContact CG2-CE2 4.17Å; I401-F438 HydrophobicContact CG2-CZ 4.2Å; A412-F438 HydrophobicContact CB-CD1 4Å; A412-F438 HydrophobicContact CB-CE1 3.78Å; A412-F438 HydrophobicContact CB-CZ 4.27Å; F415-F438 HydrophobicContact CD1-CE1 4.15Å; F415-F438 AromaticContact CD1-CZ 4Å; F415-F438 HydrophobicContact CD1-CZ 4Å; A416-F438 HydrophobicContact CB-CD1 4.4Å; L431-F438 HydrophobicContact CD2-CD1 3.73Å; L431-F438 HydrophobicContact CD2-CD2 3.96Å; L431-F438 HydrophobicContact CD2-CE1 3.59Å; L431-F438 HydrophobicContact CD2-CE2 3.82Å; L431-F438 HydrophobicContact CD2-CG 3.93Å; L431-F438 HydrophobicContact CD2-CZ 3.64Å; L431-F438 HydrophobicContact CG-CZ 4.36Å; N434-F438 HydrophobicContact CB-CE2 4.14Å; N434-F438 VanDerWaalsContact O-CD2 3.32Å; N434-F438 WeakPolarHBondContact O-CD2 3.5Å; Q435-F438 PolarHBondContact O-N 3.05Å; A436-F438 VanDerWaalsContact C-N 3.31Å; F438-Q440 PolarHBondContact O-N 3.12Å; F438-Q440 VanDerWaalsContact O-N 3.1Å; F438-T443 HydrophobicContact CB-CG2 4.08Å; F438-T443 HydrophobicContact CD1-CG2 3.62Å; F438-T443 HydrophobicContact CG-CG2 4.31Å; F438-I475 HydrophobicContact CB-CD1 3.98Å; F438-I475 HydrophobicContact CB-CG2 4.42Å
439R87.1Confident87.4Confident113 Ų11351.1 Ų51.143%0.42624%0.241SC..  trans-714.7-179.3-67.1-175.7-173.5176.73115.5I475 L479R439-I475 HydrophobicContact CG-CG2 4.26Å; R439-L479 HydrophobicContact CB-CD2 3.92Å; R439-L479 HydrophobicContact CG-CD2 4.41Å; R439-L479 WeakPolarHBondContact O-CD2 3.45Å
440Q85Confident87.3Confident79 Ų7945.2 Ų45.237%0.36921%0.214SC..SBendtrans-82.2134.3174.5-67.5-174.4-1300110.4H409 F438 R442 T443 L444H409-Q440 VanDerWaalsContact CG-NE2 3.29Å; H409-Q440 PolarHBondContact ND1-NE2 3.31Å; F438-Q440 PolarHBondContact O-N 3.12Å; F438-Q440 VanDerWaalsContact O-N 3.1Å; Q440-R442 VanDerWaalsContact C-N 3.33Å; Q440-R442 PolarHBondContact O-N 2.94Å; Q440-T443 WeakPolarHBondContact O-CB 3.17Å; Q440-T443 PolarHBondContact O-N 3.01Å; Q440-L444 PolarHBondContact O-N 2.97Å
441H83.4Confident87.3Confident47 Ų4745.1 Ų45.122%0.21821%0.213CC..Hα-helixtrans-46.6-49.6-178.2169.668.1000113.6T443 L444 L445 Q486 T487H441-T443 PolarHBondContact O-N 3.04Å; H441-L444 PolarHBondContact O-N 2.99Å; H441-L445 VanDerWaalsContact CE1-CD1 3.5Å; H441-L445 WeakPolarHBondContact CE1-CD1 3.4Å; H441-L445 WeakPolarHBondContact O-CG 3.48Å; H441-L445 PolarHBondContact O-N 3.4Å; H441-Q486 VanDerWaalsContact CE1-C 3.47Å; H441-Q486 PolarHBondContact CE1-O 3.09Å; H441-Q486 VanDerWaalsContact CE1-O 3.32Å; H441-T487 PolarHBondContact ND1-OG1 3.27Å
442R85.1Confident87.1Confident177 Ų17746.1 Ų46.167%0.66822%0.218SC*.Hα-helixtrans-61-45.2176.8-73.5-176.2171.7167.5-2113Q440 L444 L445 R446Q440-R442 VanDerWaalsContact C-N 3.33Å; Q440-R442 PolarHBondContact O-N 2.94Å; R442-L444 PolarHBondContact O-N 3.46Å; R442-L445 PolarHBondContact O-N 3.41Å; R442-R446 PolarHBondContact O-N 3.39Å
443T87.6Confident86.9Confident0 Ų046.6 Ų46.60%023%0.225CC..Hα-helixtrans-62.3-42.6179.5-57.80000111.7A412 E413 A416 F438 Q440 H441 R446 L447A412-T443 HydrophobicContact CB-CG2 4.47Å; E413-T443 WeakPolarHBondContact CB-OG1 3.45Å; A416-T443 HydrophobicContact CB-CG2 3.9Å; F438-T443 HydrophobicContact CB-CG2 4.08Å; F438-T443 HydrophobicContact CD1-CG2 3.62Å; F438-T443 HydrophobicContact CG-CG2 4.31Å; Q440-T443 WeakPolarHBondContact O-CB 3.17Å; Q440-T443 PolarHBondContact O-N 3.01Å; H441-T443 PolarHBondContact O-N 3.04Å; T443-R446 PolarHBondContact O-N 3.2Å; T443-L447 WeakPolarHBondContact O-CB 3.5Å; T443-L447 PolarHBondContact O-N 2.79Å
444L89.7Confident86.5Confident0 Ų040.7 Ų40.70%020%0.198CC..Hα-helixtrans-69.4-34.6176.9-175.958.1000112.6Q440 H441 R442 L447 S448 I475 F476 L479 T487 F551Q440-L444 PolarHBondContact O-N 2.97Å; H441-L444 PolarHBondContact O-N 2.99Å; R442-L444 PolarHBondContact O-N 3.46Å; L444-L447 HydrophobicContact CD1-CD2 4.23Å; L444-S448 WeakPolarHBondContact O-CB 3.49Å; L444-S448 PolarHBondContact O-N 3.35Å; L444-S448 PolarHBondContact O-OG 3.36Å; L444-I475 HydrophobicContact CD1-CB 4.37Å; L444-I475 HydrophobicContact CD1-CG2 4.04Å; L444-I475 HydrophobicContact CD2-CG2 4.36Å; L444-F476 HydrophobicContact CD2-CB 3.98Å; L444-F476 HydrophobicContact CD2-CD2 4.16Å; L444-L479 HydrophobicContact CD2-CD1 3.77Å; L444-T487 HydrophobicContact CD2-CG2 4.06Å; L444-T487 HydrophobicContact CG-CG2 4.48Å; L444-F551 HydrophobicContact CD1-CZ 3.98Å; L444-F551 HydrophobicContact CD2-CE2 4.41Å; L444-F551 HydrophobicContact CD2-CZ 4.18Å; L444-F551 HydrophobicContact CG-CE2 4.38Å; L444-F551 HydrophobicContact CG-CZ 3.99Å
445L86.3Confident86Confident33 Ų3339.5 Ų39.517%0.17319%0.192CC..Hα-helixtrans-66.1-43.7171.5-73.5175.4000112.2H441 R442 S448 S449 T487 A490 L494H441-L445 VanDerWaalsContact CE1-CD1 3.5Å; H441-L445 WeakPolarHBondContact CE1-CD1 3.4Å; H441-L445 WeakPolarHBondContact O-CG 3.48Å; H441-L445 PolarHBondContact O-N 3.4Å; R442-L445 PolarHBondContact O-N 3.41Å; L445-S448 WeakPolarHBondContact O-CB 3.41Å; L445-S448 PolarHBondContact O-N 2.69Å; L445-S449 PolarHBondContact O-N 2.95Å; L445-S449 PolarHBondContact O-OG 2.88Å; L445-T487 HydrophobicContact CD2-CG2 4.47Å; L445-A490 HydrophobicContact CD1-CB 3.58Å; L445-A490 HydrophobicContact CD2-CB 3.69Å; L445-A490 HydrophobicContact CG-CB 4.26Å; L445-L494 HydrophobicContact CD2-CD1 4.47Å
446R87.7Confident85.3Confident108 Ų10840.4 Ų40.441%0.40820%0.196SC..Hα-helixtrans-59.7-49.1173.6-70-161-162.1-156.412.3111E413 A416 R442 T443 S448 S449 T450E413-R446 VanDerWaalsContact CD-NH2 3.25Å; E413-R446 HydrophobicContact CG-CG 4.42Å; E413-R446 VanDerWaalsContact CG-NE 3.26Å; E413-R446 WeakPolarHBondContact O-CD 3.25Å; E413-R446 IonicContact OE1-CZ 3.82Å; E413-R446 IonicContact OE1-NE 3.93Å; E413-R446 PolarHBondContact OE1-NE 3.08Å; E413-R446 IonicContact OE1-NH2 2.7Å; E413-R446 PolarHBondContact OE1-NH2 2.97Å; E413-R446 IonicContact OE2-NH2 3.87Å; A416-R446 HydrophobicContact CB-CB 4.3Å; R442-R446 PolarHBondContact O-N 3.39Å; T443-R446 PolarHBondContact O-N 3.2Å; R446-S448 PolarHBondContact O-N 3.38Å; R446-S449 PolarHBondContact O-N 2.82Å; R446-S449 VanDerWaalsContact O-N 3.12Å; R446-S449 PolarHBondContact O-OG 2.81Å; R446-T450 PolarHBondContact O-N 3.47Å; R446-T450 PolarHBondContact O-OG1 3Å; R446-T450 VanDerWaalsContact O-OG1 3.11Å
447L89.6Confident84.8Confident3 Ų340.1 Ų40.12%0.01619%0.194CC..Hα-helixtrans-53.7-43.6175-176.661.8000111.4A416 W427 L431 T443 L444 T450 L451 A472 I475A416-L447 HydrophobicContact CB-CB 3.98Å; W427-L447 HydrophobicContact CH2-CD1 3.61Å; W427-L447 HydrophobicContact CZ2-CD1 3.68Å; L431-L447 HydrophobicContact CD1-CD1 3.9Å; L431-L447 HydrophobicContact CD2-CD1 3.99Å; L431-L447 HydrophobicContact CD2-CD2 4.15Å; T443-L447 WeakPolarHBondContact O-CB 3.5Å; T443-L447 PolarHBondContact O-N 2.79Å; L444-L447 HydrophobicContact CD1-CD2 4.23Å; L447-T450 PolarHBondContact O-N 3.45Å; L447-L451 WeakPolarHBondContact O-CB 3.42Å; L447-L451 PolarHBondContact O-N 2.91Å; L447-A472 HydrophobicContact CD2-CB 4.3Å; L447-I475 HydrophobicContact CD2-CD1 4Å
448S88.6Confident83.4Confident0 Ų049.2 Ų49.20%024%0.235CC..Hα-helixtrans-65.5-41.9178.8-580000112.4L444 L445 R446 L451 M452 F551L444-S448 WeakPolarHBondContact O-CB 3.49Å; L444-S448 PolarHBondContact O-N 3.35Å; L444-S448 PolarHBondContact O-OG 3.36Å; L445-S448 WeakPolarHBondContact O-CB 3.41Å; L445-S448 PolarHBondContact O-N 2.69Å; R446-S448 PolarHBondContact O-N 3.38Å; S448-L451 PolarHBondContact O-N 3.14Å; S448-M452 WeakPolarHBondContact O-CG 3.41Å; S448-M452 PolarHBondContact O-N 3.17Å; S448-F551 WeakPolarHBondContact OG-CZ 3.38Å
449S87.1Confident82.1Confident57 Ų5756.9 Ų56.940%0.39928%0.276SS..Hα-helixtrans-67.1-41.7176.667.50000112.7L445 R446 L451 M452 S453L445-S449 PolarHBondContact O-N 2.95Å; L445-S449 PolarHBondContact O-OG 2.88Å; R446-S449 PolarHBondContact O-N 2.82Å; R446-S449 VanDerWaalsContact O-N 3.12Å; R446-S449 PolarHBondContact O-OG 2.81Å; S449-L451 VanDerWaalsContact C-N 3.34Å; S449-L451 PolarHBondContact O-N 3.07Å; S449-M452 PolarHBondContact O-N 2.9Å; S449-S453 PolarHBondContact O-N 2.99Å; S449-S453 VanDerWaalsContact O-N 3.11Å
450T86.8Confident81Confident5 Ų553.1 Ų53.13%0.03127%0.267CS..Hα-helixtrans-61.5-44.2172.5-560000110.3A416 A419 A422 W427 R446 L447 M452 S453 L454A416-T450 WeakPolarHBondContact O-CB 3.44Å; A416-T450 PolarHBondContact O-OG1 3.05Å; A419-T450 HydrophobicContact CB-CG2 4.14Å; A422-T450 HydrophobicContact CB-CG2 4.04Å; W427-T450 HydrophobicContact CH2-CG2 4.33Å; W427-T450 HydrophobicContact CZ2-CG2 4.2Å; R446-T450 PolarHBondContact O-N 3.47Å; R446-T450 PolarHBondContact O-OG1 3Å; R446-T450 VanDerWaalsContact O-OG1 3.11Å; L447-T450 PolarHBondContact O-N 3.45Å; T450-M452 PolarHBondContact O-N 3.1Å; T450-S453 PolarHBondContact O-N 3.41Å; T450-S453 VanDerWaalsContact O-N 3.12Å; T450-S453 PolarHBondContact O-OG 3.14Å; T450-L454 HydrophobicContact CG2-CD1 4.17Å; T450-L454 WeakPolarHBondContact O-CG 3.35Å; T450-L454 PolarHBondContact O-N 3.21Å; T450-L454 VanDerWaalsContact O-N 3.08Å
451L85.1Confident80.6Confident5 Ų553.3 Ų53.33%0.02627%0.27CS..Hα-helixtrans-62.3-41.4177.7-169.5151.2000112.4L447 S448 S449 S453 L454 L455 L468 M469 A472 F499L447-L451 WeakPolarHBondContact O-CB 3.42Å; L447-L451 PolarHBondContact O-N 2.91Å; S448-L451 PolarHBondContact O-N 3.14Å; S449-L451 VanDerWaalsContact C-N 3.34Å; S449-L451 PolarHBondContact O-N 3.07Å; L451-S453 VanDerWaalsContact C-N 3.33Å; L451-S453 PolarHBondContact O-N 3.32Å; L451-L454 PolarHBondContact O-N 3.17Å; L451-L455 HydrophobicContact CD2-CD1 3.47Å; L451-L455 VanDerWaalsContact CD2-CD1 3.47Å; L451-L455 HydrophobicContact CD2-CG 3.84Å; L451-L455 WeakPolarHBondContact O-CG 3.35Å; L451-L455 PolarHBondContact O-N 3.37Å; L451-L468 HydrophobicContact CD1-CB 3.84Å; L451-M469 HydrophobicContact CD1-CG 4.09Å; L451-M469 HydrophobicContact CD2-CG 3.7Å; L451-M469 HydrophobicContact CG-CG 4.47Å; L451-A472 HydrophobicContact CD1-CB 4.38Å; L451-F499 HydrophobicContact CB-CE1 4.45Å; L451-F499 HydrophobicContact CD2-CD1 3.59Å; L451-F499 HydrophobicContact CD2-CE1 3.71Å; L451-F499 HydrophobicContact CD2-CG 4.15Å; L451-F499 HydrophobicContact CD2-CZ 4.35Å
452M84.4Confident80.4Confident23 Ų2354.4 Ų54.411%0.11328%0.277CS..Hα-helixtrans-58-44.1171.5-71.2-178.4-166.700111.8S448 S449 T450 L454 L455 H456 M491 F499S448-M452 WeakPolarHBondContact O-CG 3.41Å; S448-M452 PolarHBondContact O-N 3.17Å; S449-M452 PolarHBondContact O-N 2.9Å; T450-M452 PolarHBondContact O-N 3.1Å; M452-L454 VanDerWaalsContact C-N 3.28Å; M452-L454 PolarHBondContact O-N 3.43Å; M452-L455 PolarHBondContact O-N 3.14Å; M452-H456 PolarHBondContact O-CD2 3.22Å; M452-H456 VanDerWaalsContact O-CD2 3.29Å; M452-H456 VanDerWaalsContact O-CG 3.32Å; M452-H456 PolarHBondContact O-N 3.15Å; M452-M491 HydrophobicContact CE-CE 3.53Å; M452-M491 HydrophobicContact CE-SD 3.58Å; M452-M491 VanDerWaalsContact CE-SD 3.58Å; M452-F499 HydrophobicContact CE-CD1 4.04Å; M452-F499 HydrophobicContact CE-CE1 4.34Å; M452-F499 HydrophobicContact CG-CD1 3.79Å; M452-F499 HydrophobicContact CG-CE1 4.38Å
453S83.7Confident80.2Confident59 Ų5949.4 Ų49.441%0.41327%0.269SS..Hα-helixtrans-63.1-33.8178.875.20000113.1S449 T450 L451 H456 A457S449-S453 PolarHBondContact O-N 2.99Å; S449-S453 VanDerWaalsContact O-N 3.11Å; T450-S453 PolarHBondContact O-N 3.41Å; T450-S453 VanDerWaalsContact O-N 3.12Å; T450-S453 PolarHBondContact O-OG 3.14Å; L451-S453 VanDerWaalsContact C-N 3.33Å; L451-S453 PolarHBondContact O-N 3.32Å; S453-H456 PolarHBondContact O-N 3.46Å; S453-A457 PolarHBondContact O-N 3.02Å
454L80.7Confident79.8Confident18 Ų1851.5 Ų51.59%0.09428%0.277CS..Hα-helixtrans-75.9-37.5177.3-64164.2000112.5A422 W427 T450 L451 M452 H456 A457 S460A422-L454 HydrophobicContact CB-CD1 3.65Å; A422-L454 HydrophobicContact CB-CD2 4.33Å; W427-L454 HydrophobicContact CH2-CD1 4.4Å; W427-L454 HydrophobicContact CZ3-CD1 4.37Å; T450-L454 HydrophobicContact CG2-CD1 4.17Å; T450-L454 WeakPolarHBondContact O-CG 3.35Å; T450-L454 PolarHBondContact O-N 3.21Å; T450-L454 VanDerWaalsContact O-N 3.08Å; L451-L454 PolarHBondContact O-N 3.17Å; M452-L454 VanDerWaalsContact C-N 3.28Å; M452-L454 PolarHBondContact O-N 3.43Å; L454-H456 PolarHBondContact O-N 2.97Å; L454-A457 PolarHBondContact O-N 3.42Å; L454-S460 WeakPolarHBondContact O-CB 3.42Å
455L77.8Confident79.4Confident7 Ų752 Ų524%0.03728%0.281CS..THydrogen-bonded Turntrans-65.4-11.1173.9-74.5-180000113.7L451 M452 C465 M469 F499 V504L451-L455 HydrophobicContact CD2-CD1 3.47Å; L451-L455 VanDerWaalsContact CD2-CD1 3.47Å; L451-L455 HydrophobicContact CD2-CG 3.84Å; L451-L455 WeakPolarHBondContact O-CG 3.35Å; L451-L455 PolarHBondContact O-N 3.37Å; M452-L455 PolarHBondContact O-N 3.14Å; L455-C465 HydrophobicContact CD2-CB 3.72Å; L455-M469 HydrophobicContact CD1-SD 4.01Å; L455-M469 HydrophobicContact CD2-SD 4.23Å; L455-F499 HydrophobicContact CD1-CB 3.89Å; L455-F499 HydrophobicContact CD1-CG 4.46Å; L455-V504 HydrophobicContact CD2-CG1 4.04Å
456H74.2Confident79.3Confident61 Ų6156.2 Ų56.228%0.28229%0.294SS..THydrogen-bonded Turntrans-117.87.9-178.3-56.6-17.8000112.3M452 S453 L454 Q502M452-H456 PolarHBondContact O-CD2 3.22Å; M452-H456 VanDerWaalsContact O-CD2 3.29Å; M452-H456 VanDerWaalsContact O-CG 3.32Å; M452-H456 PolarHBondContact O-N 3.15Å; S453-H456 PolarHBondContact O-N 3.46Å; L454-H456 PolarHBondContact O-N 2.97Å; H456-Q502 PolarHBondContact CD2-OE1 3.17Å; H456-Q502 VanDerWaalsContact CD2-OE1 3.32Å
457A76.7Confident79.2Confident41 Ų4155.3 Ų55.334%0.33929%0.293SS..SBendtrans-84.3136.7173.100000111.4S453 L454 N459 S460S453-A457 PolarHBondContact O-N 3.02Å; L454-A457 PolarHBondContact O-N 3.42Å; A457-N459 PolarHBondContact O-N 3.1Å; A457-S460 PolarHBondContact O-N 2.97Å
458E56.8Low79Confident197 Ų19755.5 Ų55.592%0.92129%0.294SS*.THydrogen-bonded Turntrans-63.3-11.4-168.4-59.9-175.1140.900115.7
459N61Low78.9Confident162 Ų16255.8 Ų55.887%0.86630%0.296SS*.THydrogen-bonded Turntrans-128.235.6179.2-72.2-71.6000113A457 D461A457-N459 PolarHBondContact O-N 3.1Å; N459-D461 PolarHBondContact O-N 3.39Å
460S64.1Low79Confident33 Ų3358.7 Ų58.723%0.23130%0.301CS..  trans-67.1125.9-178.670.10000113.6L454 A457 I462L454-S460 WeakPolarHBondContact O-CB 3.42Å; A457-S460 PolarHBondContact O-N 2.97Å; S460-I462 PolarHBondContact O-N 3.21Å; S460-I462 VanDerWaalsContact O-N 3.15Å
461D75.8Confident79.2Confident83 Ų8358.6 Ų58.644%0.44430%0.3SS..  trans-67.6110.6169176.1-0000110.7N459 S463 R464 C465N459-D461 PolarHBondContact O-N 3.39Å; D461-S463 VanDerWaalsContact C-N 3.25Å; D461-S463 VanDerWaalsContact CG-OG 3.29Å; D461-S463 PolarHBondContact O-N 2.94Å; D461-S463 WeakPolarHBondContact OD1-CA 3.22Å; D461-S463 WeakPolarHBondContact OD1-CB 3.41Å; D461-S463 PolarHBondContact OD1-N 3.31Å; D461-S463 PolarHBondContact OD1-OG 2.96Å; D461-S463 PolarHBondContact OD2-OG 3.22Å; D461-S463 VanDerWaalsContact OD2-OG 3.09Å; D461-R464 HydrophobicContact CB-CB 4.08Å; D461-R464 PolarHBondContact O-N 3.01Å; D461-R464 PolarHBondContact OD1-N 3.46Å; D461-C465 WeakPolarHBondContact O-CB 3.34Å; D461-C465 PolarHBondContact O-N 2.91Å; D461-C465 PolarHBondContact O-SG 2.69Å
462I79.1Confident79.4Confident70 Ų7058.3 Ų58.336%0.35930%0.299SS..Hα-helixtrans-57.6-36.4-180-59.9174.8000111.9S460 R466 P505 A507 V508S460-I462 PolarHBondContact O-N 3.21Å; S460-I462 VanDerWaalsContact O-N 3.15Å; I462-R466 WeakPolarHBondContact O-CB 3.43Å; I462-R466 PolarHBondContact O-N 2.91Å; I462-P505 HydrophobicContact CD1-CB 3.93Å; I462-P505 HydrophobicContact CD1-CG 4.44Å; I462-P505 HydrophobicContact CG1-CB 4.07Å; I462-P505 HydrophobicContact CG1-CG 4.26Å; I462-A507 HydrophobicContact CG2-CB 4.2Å; I462-V508 HydrophobicContact CG2-CG2 4.12Å
463S80.9Confident79.7Confident72 Ų7257.2 Ų57.250%0.50329%0.294SS..Hα-helixtrans-69.8-45.7-178.778.10000111.1D461 R466 K467D461-S463 VanDerWaalsContact C-N 3.25Å; D461-S463 VanDerWaalsContact CG-OG 3.29Å; D461-S463 PolarHBondContact O-N 2.94Å; D461-S463 WeakPolarHBondContact OD1-CA 3.22Å; D461-S463 WeakPolarHBondContact OD1-CB 3.41Å; D461-S463 PolarHBondContact OD1-N 3.31Å; D461-S463 PolarHBondContact OD1-OG 2.96Å; D461-S463 PolarHBondContact OD2-OG 3.22Å; D461-S463 VanDerWaalsContact OD2-OG 3.09Å; S463-R466 PolarHBondContact O-N 2.99Å; S463-K467 PolarHBondContact O-N 3.05Å
464R80.9Confident80Confident45 Ų4556 Ų5617%0.1728%0.282CS..Hα-helixtrans-69.4-39.2177.2-151.917283.8-174.3-1.8112A422 H423 E425 V428 D461 R466 K467 L468A422-R464 PolarHBondContact O-NH2 3.47Å; H423-R464 VanDerWaalsContact C-NH2 3.34Å; H423-R464 VanDerWaalsContact CA-NH2 3.31Å; H423-R464 PolarHBondContact O-NH1 2.7Å; H423-R464 PolarHBondContact O-NH2 2.82Å; E425-R464 WeakPolarHBondContact OE1-CD 3.22Å; E425-R464 IonicContact OE1-CZ 2.74Å; E425-R464 IonicContact OE1-NE 3.47Å; E425-R464 IonicContact OE1-NH1 3.54Å; E425-R464 PolarHBondContact OE1-NH1 3.11Å; V428-R464 HydrophobicContact CG2-CG 3.94Å; D461-R464 HydrophobicContact CB-CB 4.08Å; D461-R464 PolarHBondContact O-N 3.01Å; D461-R464 PolarHBondContact OD1-N 3.46Å; R464-R466 VanDerWaalsContact C-N 3.35Å; R464-R466 PolarHBondContact O-N 3.43Å; R464-K467 PolarHBondContact O-N 2.87Å; R464-L468 HydrophobicContact CG-CD1 4.34Å; R464-L468 WeakPolarHBondContact O-CB 3.49Å; R464-L468 VanDerWaalsContact O-CG 3.3Å; R464-L468 WeakPolarHBondContact O-CG 3.3Å; R464-L468 PolarHBondContact O-N 3.49Å
465C80.3Confident80.5Confident11 Ų1155.1 Ų55.17%0.07428%0.278CS..Hα-helixtrans-57.7-45.4172.4-70.30000111.9L455 D461 L468 M469L455-C465 HydrophobicContact CD2-CB 3.72Å; D461-C465 WeakPolarHBondContact O-CB 3.34Å; D461-C465 PolarHBondContact O-N 2.91Å; D461-C465 PolarHBondContact O-SG 2.69Å; C465-L468 PolarHBondContact O-N 3.36Å; C465-M469 WeakPolarHBondContact O-CG 3.4Å; C465-M469 PolarHBondContact O-N 3.12Å
466R83.9Confident81.3Confident120 Ų12054.8 Ų54.845%0.45328%0.276SS..Hα-helixtrans-63.2-41.9175.2-168.7-171.2-66.6137-7.1111.9I462 S463 R464 K470 A507I462-R466 WeakPolarHBondContact O-CB 3.43Å; I462-R466 PolarHBondContact O-N 2.91Å; S463-R466 PolarHBondContact O-N 2.99Å; R464-R466 VanDerWaalsContact C-N 3.35Å; R464-R466 PolarHBondContact O-N 3.43Å; R466-K470 PolarHBondContact O-N 3.42Å; R466-K470 VanDerWaalsContact O-N 3.09Å; R466-A507 PolarHBondContact NH2-O 2.83Å
467K86.4Confident82.1Confident89 Ų8953.4 Ų53.439%0.38727%0.273SS..Hα-helixtrans-60.9-44.8175.8-166-173.3-179.5-164.90111.3V428 D432 S463 R464 K470 I471V428-K467 HydrophobicContact CG1-CD 3.95Å; D432-K467 WeakPolarHBondContact OD2-CE 3.42Å; D432-K467 IonicContact OD2-NZ 3.97Å; D432-K467 PolarHBondContact OD2-NZ 3.32Å; S463-K467 PolarHBondContact O-N 3.05Å; R464-K467 PolarHBondContact O-N 2.87Å; K467-K470 WeakPolarHBondContact O-CB 3.34Å; K467-K470 PolarHBondContact O-N 3.06Å; K467-I471 HydrophobicContact CD-CD1 4.4Å; K467-I471 HydrophobicContact CG-CD1 4.06Å; K467-I471 WeakPolarHBondContact O-CG1 3.08Å; K467-I471 PolarHBondContact O-N 3.18Å
468L85.6Confident82.7Confident7 Ų753.5 Ų53.54%0.03727%0.274CS..Hα-helixtrans-67.1-41.2-179.5-73.2167.6000113W427 V428 L431 L451 R464 C465 K470 I471 A472W427-L468 HydrophobicContact CE3-CD2 4.01Å; W427-L468 HydrophobicContact CH2-CD2 4.36Å; W427-L468 HydrophobicContact CZ3-CD1 3.81Å; W427-L468 HydrophobicContact CZ3-CD2 3.47Å; W427-L468 VanDerWaalsContact CZ3-CD2 3.47Å; W427-L468 HydrophobicContact CZ3-CG 4.27Å; V428-L468 HydrophobicContact CG1-CD2 4.12Å; V428-L468 HydrophobicContact CG2-CD1 4.48Å; V428-L468 HydrophobicContact CG2-CD2 4.17Å; L431-L468 HydrophobicContact CD1-CD2 4.01Å; L451-L468 HydrophobicContact CD1-CB 3.84Å; R464-L468 HydrophobicContact CG-CD1 4.34Å; R464-L468 WeakPolarHBondContact O-CB 3.49Å; R464-L468 VanDerWaalsContact O-CG 3.3Å; R464-L468 WeakPolarHBondContact O-CG 3.3Å; R464-L468 PolarHBondContact O-N 3.49Å; C465-L468 PolarHBondContact O-N 3.36Å; L468-K470 VanDerWaalsContact C-N 3.29Å; L468-K470 PolarHBondContact O-N 2.96Å; L468-I471 PolarHBondContact O-N 3Å; L468-A472 PolarHBondContact O-N 3.1Å
469M86.7Confident84.2Confident6 Ų644.7 Ų44.73%0.0323%0.233CC..Hα-helixtrans-60.9-41.1173-75-178.969.500111.4L451 L455 C465 A472 A473 F499 F500 V508L451-M469 HydrophobicContact CD1-CG 4.09Å; L451-M469 HydrophobicContact CD2-CG 3.7Å; L451-M469 HydrophobicContact CG-CG 4.47Å; L455-M469 HydrophobicContact CD1-SD 4.01Å; L455-M469 HydrophobicContact CD2-SD 4.23Å; C465-M469 WeakPolarHBondContact O-CG 3.4Å; C465-M469 PolarHBondContact O-N 3.12Å; M469-A472 PolarHBondContact O-N 3.49Å; M469-A473 WeakPolarHBondContact O-CB 3.46Å; M469-A473 PolarHBondContact O-N 2.92Å; M469-F499 HydrophobicContact CE-CB 4.2Å; M469-F499 HydrophobicContact CE-CD2 3.91Å; M469-F499 HydrophobicContact CE-CG 4.33Å; M469-F500 HydrophobicContact CE-CE2 3.99Å; M469-F500 HydrophobicContact CE-CZ 3.85Å; M469-V508 HydrophobicContact CE-CG1 4.15Å; M469-V508 HydrophobicContact SD-CG1 3.42Å; M469-V508 WeakPolarHBondContact SD-CG1 3.48Å
470K89.3Confident85.6Confident118 Ų11839.6 Ų39.651%0.51321%0.21SC..Hα-helixtrans-61.6-49.2174-167.3-154.8170.2-135.90111.4R466 K467 L468 A472 A473 D474R466-K470 PolarHBondContact O-N 3.42Å; R466-K470 VanDerWaalsContact O-N 3.09Å; K467-K470 WeakPolarHBondContact O-CB 3.34Å; K467-K470 PolarHBondContact O-N 3.06Å; L468-K470 VanDerWaalsContact C-N 3.29Å; L468-K470 PolarHBondContact O-N 2.96Å; K470-A472 VanDerWaalsContact C-N 3.34Å; K470-A472 PolarHBondContact O-N 3.5Å; K470-A473 CarbonylContact O-C 3.4Å; K470-A473 PolarHBondContact O-N 3.22Å; K470-A473 VanDerWaalsContact O-N 3.16Å; K470-D474 WeakPolarHBondContact CE-OD2 3.28Å; K470-D474 IonicContact NZ-OD2 3.63Å; K470-D474 PolarHBondContact NZ-OD2 3.2Å; K470-D474 VanDerWaalsContact NZ-OD2 3.12Å; K470-D474 WeakPolarHBondContact O-CB 3.38Å; K470-D474 PolarHBondContact O-N 3.47Å
471I89.7Confident86.7Confident3 Ų341.4 Ų41.42%0.01522%0.217CC..Hα-helixtrans-58.6-45.1178.5-68.4163.1000111V428 L431 D432 Q435 K467 L468 A473 D474 I475V428-I471 HydrophobicContact CG1-CD1 4.36Å; L431-I471 HydrophobicContact CB-CG2 4.24Å; D432-I471 HydrophobicContact CB-CD1 3.84Å; D432-I471 HydrophobicContact CB-CG1 4.5Å; Q435-I471 HydrophobicContact CG-CG2 4.38Å; K467-I471 HydrophobicContact CD-CD1 4.4Å; K467-I471 HydrophobicContact CG-CD1 4.06Å; K467-I471 WeakPolarHBondContact O-CG1 3.08Å; K467-I471 PolarHBondContact O-N 3.18Å; L468-I471 PolarHBondContact O-N 3Å; I471-A473 PolarHBondContact O-N 2.93Å; I471-D474 PolarHBondContact O-N 3.37Å; I471-I475 HydrophobicContact CG2-CD1 3.73Å; I471-I475 HydrophobicContact CG2-CG1 4.4Å; I471-I475 WeakPolarHBondContact O-CD1 3.25Å; I471-I475 VanDerWaalsContact O-CG1 3.26Å; I471-I475 WeakPolarHBondContact O-CG1 3.49Å; I471-I475 PolarHBondContact O-N 2.86Å
472A90.1Very high87.3Confident0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-62.1-41.4176.400000112.3L447 L451 L468 M469 K470 F476 F551L447-A472 HydrophobicContact CD2-CB 4.3Å; L451-A472 HydrophobicContact CD1-CB 4.38Å; L468-A472 PolarHBondContact O-N 3.1Å; M469-A472 PolarHBondContact O-N 3.49Å; K470-A472 VanDerWaalsContact C-N 3.34Å; K470-A472 PolarHBondContact O-N 3.5Å; A472-F476 WeakPolarHBondContact O-CB 3.48Å; A472-F476 PolarHBondContact O-N 2.94Å; A472-F551 HydrophobicContact CB-CE1 4.28Å
473A90.4Very high87.7Confident0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-69.5-32.8175.500000113.1M469 K470 I471 S477 R548M469-A473 WeakPolarHBondContact O-CB 3.46Å; M469-A473 PolarHBondContact O-N 2.92Å; K470-A473 CarbonylContact O-C 3.4Å; K470-A473 PolarHBondContact O-N 3.22Å; K470-A473 VanDerWaalsContact O-N 3.16Å; I471-A473 PolarHBondContact O-N 2.93Å; A473-S477 VanDerWaalsContact O-CB 3.31Å; A473-S477 WeakPolarHBondContact O-CB 3.31Å; A473-S477 PolarHBondContact O-N 2.96Å; A473-S477 PolarHBondContact O-OG 3.25Å; A473-R548 HydrophobicContact CB-CG 4.25Å; A473-R548 PolarHBondContact O-NH1 3.12Å
474D90.8Very high88.1Confident32 Ų3240.7 Ų40.717%0.17120%0.203CC..Hα-helixtrans-70.5-44.1175.9-68.1-7.2000110.3K470 I471 S477 A478 R548K470-D474 WeakPolarHBondContact CE-OD2 3.28Å; K470-D474 IonicContact NZ-OD2 3.63Å; K470-D474 PolarHBondContact NZ-OD2 3.2Å; K470-D474 VanDerWaalsContact NZ-OD2 3.12Å; K470-D474 WeakPolarHBondContact O-CB 3.38Å; K470-D474 PolarHBondContact O-N 3.47Å; I471-D474 PolarHBondContact O-N 3.37Å; D474-S477 WeakPolarHBondContact O-CB 3.45Å; D474-S477 PolarHBondContact O-N 3.25Å; D474-A478 PolarHBondContact O-N 3.32Å; D474-R548 IonicContact OD1-CZ 3.68Å; D474-R548 VanDerWaalsContact OD1-CZ 3.23Å; D474-R548 IonicContact OD1-NH1 3.11Å; D474-R548 PolarHBondContact OD1-NH1 3.3Å; D474-R548 IonicContact OD1-NH2 3.76Å; D474-R548 PolarHBondContact OD1-NH2 3.15Å
475I91.2Very high88.6Confident0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-58.2-49.6170.6-66.5160.9000110.5Q435 F438 R439 L444 L447 I471 S477 A478Q435-I475 HydrophobicContact CB-CD1 4.49Å; Q435-I475 HydrophobicContact CB-CG1 3.78Å; Q435-I475 HydrophobicContact CG-CD1 4.35Å; Q435-I475 HydrophobicContact CG-CG1 3.87Å; F438-I475 HydrophobicContact CB-CD1 3.98Å; F438-I475 HydrophobicContact CB-CG2 4.42Å; R439-I475 HydrophobicContact CG-CG2 4.26Å; L444-I475 HydrophobicContact CD1-CB 4.37Å; L444-I475 HydrophobicContact CD1-CG2 4.04Å; L444-I475 HydrophobicContact CD2-CG2 4.36Å; L447-I475 HydrophobicContact CD2-CD1 4Å; I471-I475 HydrophobicContact CG2-CD1 3.73Å; I471-I475 HydrophobicContact CG2-CG1 4.4Å; I471-I475 WeakPolarHBondContact O-CD1 3.25Å; I471-I475 VanDerWaalsContact O-CG1 3.26Å; I471-I475 WeakPolarHBondContact O-CG1 3.49Å; I471-I475 PolarHBondContact O-N 2.86Å; I475-S477 VanDerWaalsContact C-N 3.3Å; I475-S477 PolarHBondContact O-N 2.95Å; I475-A478 PolarHBondContact O-N 3.17Å
476F92.8Very high89Confident0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-57.8-41.1175.3177.4-89.1000112.2L444 A472 A478 L479 K484 T487 L488 A547 F551L444-F476 HydrophobicContact CD2-CB 3.98Å; L444-F476 HydrophobicContact CD2-CD2 4.16Å; A472-F476 WeakPolarHBondContact O-CB 3.48Å; A472-F476 PolarHBondContact O-N 2.94Å; F476-A478 PolarHBondContact O-N 3.45Å; F476-L479 HydrophobicContact CD2-CD1 4.06Å; F476-L479 VanDerWaalsContact O-CB 3.3Å; F476-L479 WeakPolarHBondContact O-CB 3.47Å; F476-L479 WeakPolarHBondContact O-CG 3.27Å; F476-L479 PolarHBondContact O-N 3.17Å; F476-K484 HydrophobicContact CE1-CD 4.32Å; F476-K484 HydrophobicContact CE1-CG 3.94Å; F476-K484 HydrophobicContact CE2-CB 4.2Å; F476-K484 HydrophobicContact CE2-CG 4.06Å; F476-K484 HydrophobicContact CZ-CB 3.82Å; F476-K484 HydrophobicContact CZ-CD 4.45Å; F476-K484 HydrophobicContact CZ-CG 3.66Å; F476-K484 WeakPolarHBondContact O-CE 3.38Å; F476-T487 HydrophobicContact CD2-CG2 4.03Å; F476-T487 HydrophobicContact CE2-CG2 4.13Å; F476-L488 HydrophobicContact CE2-CD2 4.29Å; F476-L488 HydrophobicContact CE2-CG 4.14Å; F476-L488 HydrophobicContact CZ-CD1 4.21Å; F476-L488 HydrophobicContact CZ-CD2 3.98Å; F476-L488 HydrophobicContact CZ-CG 3.86Å; F476-A547 VanDerWaalsContact CE1-C 3.46Å; F476-A547 HydrophobicContact CE1-CB 3.78Å; F476-A547 WeakPolarHBondContact CE1-O 3.15Å; F476-A547 HydrophobicContact CZ-CB 4.05Å; F476-F551 HydrophobicContact CB-CD1 3.76Å; F476-F551 HydrophobicContact CB-CE1 3.87Å; F476-F551 HydrophobicContact CB-CG 4.18Å; F476-F551 HydrophobicContact CB-CZ 4.37Å; F476-F551 HydrophobicContact CD1-CB 3.96Å; F476-F551 HydrophobicContact CD1-CD1 4.34Å; F476-F551 HydrophobicContact CD1-CG 4.18Å; F476-F551 HydrophobicContact CD2-CB 3.91Å; F476-F551 HydrophobicContact CD2-CD1 4.03Å; F476-F551 AromaticContact CD2-CD2 3.52Å; F476-F551 HydrophobicContact CD2-CD2 3.52Å; F476-F551 HydrophobicContact CD2-CE1 4.46Å; F476-F551 HydrophobicContact CD2-CE2 4Å; F476-F551 AromaticContact CD2-CG 3.54Å; F476-F551 HydrophobicContact CD2-CG 3.54Å; F476-F551 HydrophobicContact CD2-CZ 4.44Å; F476-F551 HydrophobicContact CE1-CB 3.94Å; F476-F551 HydrophobicContact CE2-CB 3.86Å; F476-F551 AromaticContact CE2-CD2 3.85Å; F476-F551 HydrophobicContact CE2-CD2 3.85Å; F476-F551 AromaticContact CE2-CG 3.94Å; F476-F551 HydrophobicContact CE2-CG 3.94Å; F476-F551 HydrophobicContact CG-CB 3.96Å; F476-F551 AromaticContact CG-CD1 3.77Å; F476-F551 HydrophobicContact CG-CD1 3.77Å; F476-F551 HydrophobicContact CG-CD2 4.13Å; F476-F551 HydrophobicContact CG-CE1 4.28Å; F476-F551 AromaticContact CG-CG 3.68Å; F476-F551 HydrophobicContact CG-CG 3.68Å; F476-F551 HydrophobicContact CZ-CB 3.88Å; F476-F551 HydrophobicContact CZ-CG 4.43Å
477S90.9Very high89.3Confident32 Ų3237.1 Ų37.122%0.22419%0.193CC..Hα-helixtrans-64.3-28.1-179-61.40000112.4A473 D474 I475 L479 K484 R548A473-S477 VanDerWaalsContact O-CB 3.31Å; A473-S477 WeakPolarHBondContact O-CB 3.31Å; A473-S477 PolarHBondContact O-N 2.96Å; A473-S477 PolarHBondContact O-OG 3.25Å; D474-S477 WeakPolarHBondContact O-CB 3.45Å; D474-S477 PolarHBondContact O-N 3.25Å; I475-S477 VanDerWaalsContact C-N 3.3Å; I475-S477 PolarHBondContact O-N 2.95Å; S477-L479 VanDerWaalsContact C-N 3.34Å; S477-K484 WeakPolarHBondContact O-CE 3.07Å; S477-K484 PolarHBondContact O-NZ 3.45Å; S477-R548 WeakPolarHBondContact OG-CD 3.39Å; S477-R548 PolarHBondContact OG-NH1 3.33Å
478A89.5Confident89.5Confident43 Ų4333 Ų3336%0.35518%0.175SC..THydrogen-bonded Turntrans-85.22.5178.600000115.1D474 I475 F476D474-A478 PolarHBondContact O-N 3.32Å; I475-A478 PolarHBondContact O-N 3.17Å; F476-A478 PolarHBondContact O-N 3.45Å
479L89.1Confident89.6Confident13 Ų1334 Ų347%0.06819%0.185CC..SBendtrans-78.9160176-64-177.2000113.3R439 L444 F476 S477 D483 K484R439-L479 HydrophobicContact CB-CD2 3.92Å; R439-L479 HydrophobicContact CG-CD2 4.41Å; R439-L479 WeakPolarHBondContact O-CD2 3.45Å; L444-L479 HydrophobicContact CD2-CD1 3.77Å; F476-L479 HydrophobicContact CD2-CD1 4.06Å; F476-L479 VanDerWaalsContact O-CB 3.3Å; F476-L479 WeakPolarHBondContact O-CB 3.47Å; F476-L479 WeakPolarHBondContact O-CG 3.27Å; F476-L479 PolarHBondContact O-N 3.17Å; S477-L479 VanDerWaalsContact C-N 3.34Å; L479-D483 HydrophobicContact CB-CB 3.93Å; L479-D483 HydrophobicContact CD1-CB 4.19Å; L479-D483 HydrophobicContact CD2-CB 4.36Å; L479-D483 HydrophobicContact CG-CB 4.39Å; L479-K484 HydrophobicContact CB-CG 3.82Å; L479-K484 WeakPolarHBondContact O-CE 3.46Å; L479-K484 PolarHBondContact O-NZ 3.11Å
480S90.3Very high89.6Confident55 Ų5535.3 Ų35.339%0.38520%0.196SC..  trans-66.1166.1169820000111.5E482 D483 K484S480-E482 VanDerWaalsContact C-N 3.25Å; S480-E482 PolarHBondContact O-N 3.47Å; S480-E482 PolarHBondContact OG-N 3.47Å; S480-D483 VanDerWaalsContact CB-OD2 3.27Å; S480-D483 WeakPolarHBondContact CB-OD2 3.4Å; S480-D483 VanDerWaalsContact OG-CG 3.26Å; S480-D483 PolarHBondContact OG-N 2.99Å; S480-D483 VanDerWaalsContact OG-N 3.09Å; S480-D483 PolarHBondContact OG-OD2 3.29Å; S480-K484 WeakPolarHBondContact O-CB 3.35Å; S480-K484 WeakPolarHBondContact O-CD 3.44Å; S480-K484 WeakPolarHBondContact O-CG 3.47Å; S480-K484 PolarHBondContact O-N 2.7Å
481L87.9Confident89.5Confident71 Ų7129.7 Ų29.737%0.37217%0.172SC..Hα-helixtrans-66.2-29.8176.9-174.359.2000112.2N485 V543 L582L481-N485 PolarHBondContact O-N 3.15Å; L481-N485 VanDerWaalsContact O-N 3.16Å; L481-N485 PolarHBondContact O-ND2 3.05Å; L481-V543 HydrophobicContact CD1-CG1 3.72Å; L481-L582 HydrophobicContact CD1-CD2 4.2Å
482E86.9Confident89.3Confident135 Ų13530.8 Ų30.863%0.63118%0.178SC*.Hα-helixtrans-71.4-52.1175.8-165.8-171.5153.800110.9S480 K484 N485 Q486S480-E482 VanDerWaalsContact C-N 3.25Å; S480-E482 PolarHBondContact O-N 3.47Å; S480-E482 PolarHBondContact OG-N 3.47Å; E482-K484 VanDerWaalsContact C-N 3.25Å; E482-K484 PolarHBondContact O-N 2.95Å; E482-N485 WeakPolarHBondContact O-CA 3.26Å; E482-N485 WeakPolarHBondContact O-CB 3.2Å; E482-N485 PolarHBondContact O-N 3.26Å; E482-Q486 WeakPolarHBondContact O-CG 3.41Å; E482-Q486 PolarHBondContact O-N 3.28Å; E482-Q486 PolarHBondContact OE1-NE2 3.35Å
483D87.6Confident89Confident58 Ų5834.1 Ų34.131%0.3121%0.212SC..Hα-helixtrans-58-37.9177-66-62.9000111.9L479 S480 T487L479-D483 HydrophobicContact CB-CB 3.93Å; L479-D483 HydrophobicContact CD1-CB 4.19Å; L479-D483 HydrophobicContact CD2-CB 4.36Å; L479-D483 HydrophobicContact CG-CB 4.39Å; S480-D483 VanDerWaalsContact CB-OD2 3.27Å; S480-D483 WeakPolarHBondContact CB-OD2 3.4Å; S480-D483 VanDerWaalsContact OG-CG 3.26Å; S480-D483 PolarHBondContact OG-N 2.99Å; S480-D483 VanDerWaalsContact OG-N 3.09Å; S480-D483 PolarHBondContact OG-OD2 3.29Å; D483-T487 VanDerWaalsContact O-CB 3.23Å; D483-T487 WeakPolarHBondContact O-CB 3.32Å; D483-T487 PolarHBondContact O-N 2.77Å; D483-T487 PolarHBondContact O-OG1 3.03Å
484K90.9Very high88.6Confident17 Ų1737.8 Ų37.87%0.07423%0.231CC..Hα-helixtrans-60.2-46.7172.5-77.6169.6177.2157.60110.9F476 S477 L479 S480 E482 T487 L488 S544F476-K484 HydrophobicContact CE1-CD 4.32Å; F476-K484 HydrophobicContact CE1-CG 3.94Å; F476-K484 HydrophobicContact CE2-CB 4.2Å; F476-K484 HydrophobicContact CE2-CG 4.06Å; F476-K484 HydrophobicContact CZ-CB 3.82Å; F476-K484 HydrophobicContact CZ-CD 4.45Å; F476-K484 HydrophobicContact CZ-CG 3.66Å; F476-K484 WeakPolarHBondContact O-CE 3.38Å; S477-K484 WeakPolarHBondContact O-CE 3.07Å; S477-K484 PolarHBondContact O-NZ 3.45Å; L479-K484 HydrophobicContact CB-CG 3.82Å; L479-K484 WeakPolarHBondContact O-CE 3.46Å; L479-K484 PolarHBondContact O-NZ 3.11Å; S480-K484 WeakPolarHBondContact O-CB 3.35Å; S480-K484 WeakPolarHBondContact O-CD 3.44Å; S480-K484 WeakPolarHBondContact O-CG 3.47Å; S480-K484 PolarHBondContact O-N 2.7Å; E482-K484 VanDerWaalsContact C-N 3.25Å; E482-K484 PolarHBondContact O-N 2.95Å; K484-T487 PolarHBondContact O-N 3.39Å; K484-L488 WeakPolarHBondContact O-CB 3.23Å; K484-L488 WeakPolarHBondContact O-CG 3.22Å; K484-L488 PolarHBondContact O-N 2.97Å; K484-S544 PolarHBondContact NZ-OG 2.78Å
485N90.4Very high88.3Confident20 Ų2036.7 Ų36.711%0.10723%0.227CC..Hα-helixtrans-66.9-44.2179.5-85.9-64.4000112.9L481 E482 T487 L488 A489 Q581 L582 P583 G584L481-N485 PolarHBondContact O-N 3.15Å; L481-N485 VanDerWaalsContact O-N 3.16Å; L481-N485 PolarHBondContact O-ND2 3.05Å; E482-N485 WeakPolarHBondContact O-CA 3.26Å; E482-N485 WeakPolarHBondContact O-CB 3.2Å; E482-N485 PolarHBondContact O-N 3.26Å; N485-T487 VanDerWaalsContact C-N 3.3Å; N485-T487 PolarHBondContact O-N 2.84Å; N485-L488 PolarHBondContact O-N 3.38Å; N485-A489 PolarHBondContact O-N 3.03Å; N485-Q581 PolarHBondContact ND2-O 3.35Å; N485-Q581 VanDerWaalsContact ND2-O 3.13Å; N485-L582 WeakPolarHBondContact OD1-CA 3.43Å; N485-P583 WeakPolarHBondContact OD1-CD 3.23Å; N485-P583 VanDerWaalsContact OD1-N 3.1Å; N485-G584 WeakPolarHBondContact O-CA 3.43Å; N485-G584 PolarHBondContact OD1-N 3.21Å
486Q89.1Confident88Confident81 Ų8138.6 Ų38.638%0.37924%0.24SC..Hα-helixtrans-58.4-44.1173.4-64.2-176.920.600111H441 E482 A489 A490H441-Q486 VanDerWaalsContact CE1-C 3.47Å; H441-Q486 PolarHBondContact CE1-O 3.09Å; H441-Q486 VanDerWaalsContact CE1-O 3.32Å; E482-Q486 WeakPolarHBondContact O-CG 3.41Å; E482-Q486 PolarHBondContact O-N 3.28Å; E482-Q486 PolarHBondContact OE1-NE2 3.35Å; Q486-A489 PolarHBondContact O-N 3.02Å; Q486-A490 PolarHBondContact O-N 3.44Å; Q486-A490 VanDerWaalsContact O-N 3.14Å
487T89.2Confident87.6Confident0 Ų043.1 Ų43.10%026%0.259CS..Hα-helixtrans-69.4-38.3179.7-54.20000112.9H441 L444 L445 F476 D483 K484 N485 M491 F551H441-T487 PolarHBondContact ND1-OG1 3.27Å; L444-T487 HydrophobicContact CD2-CG2 4.06Å; L444-T487 HydrophobicContact CG-CG2 4.48Å; L445-T487 HydrophobicContact CD2-CG2 4.47Å; F476-T487 HydrophobicContact CD2-CG2 4.03Å; F476-T487 HydrophobicContact CE2-CG2 4.13Å; D483-T487 VanDerWaalsContact O-CB 3.23Å; D483-T487 WeakPolarHBondContact O-CB 3.32Å; D483-T487 PolarHBondContact O-N 2.77Å; D483-T487 PolarHBondContact O-OG1 3.03Å; K484-T487 PolarHBondContact O-N 3.39Å; N485-T487 VanDerWaalsContact C-N 3.3Å; N485-T487 PolarHBondContact O-N 2.84Å; T487-M491 VanDerWaalsContact O-CB 3.23Å; T487-M491 WeakPolarHBondContact O-CB 3.36Å; T487-M491 PolarHBondContact O-N 3.39Å; T487-F551 HydrophobicContact CG2-CD2 4.04Å; T487-F551 HydrophobicContact CG2-CE2 3.75Å
488L90.7Very high87.4Confident1 Ų141.6 Ų41.61%0.00525%0.249CC..Hα-helixtrans-64.1-42.3174.3-74.5172.8000111.9F476 K484 N485 M491 L492 A547 A550 F551 L582 G584 L585F476-L488 HydrophobicContact CE2-CD2 4.29Å; F476-L488 HydrophobicContact CE2-CG 4.14Å; F476-L488 HydrophobicContact CZ-CD1 4.21Å; F476-L488 HydrophobicContact CZ-CD2 3.98Å; F476-L488 HydrophobicContact CZ-CG 3.86Å; K484-L488 WeakPolarHBondContact O-CB 3.23Å; K484-L488 WeakPolarHBondContact O-CG 3.22Å; K484-L488 PolarHBondContact O-N 2.97Å; N485-L488 PolarHBondContact O-N 3.38Å; L488-M491 PolarHBondContact O-N 3.09Å; L488-L492 VanDerWaalsContact O-CB 3.26Å; L488-L492 WeakPolarHBondContact O-CB 3.48Å; L488-L492 PolarHBondContact O-N 2.89Å; L488-A547 HydrophobicContact CD1-CB 4.22Å; L488-A550 HydrophobicContact CD2-CB 4.05Å; L488-F551 HydrophobicContact CD2-CB 3.94Å; L488-L582 HydrophobicContact CD1-CD2 4.07Å; L488-G584 CarbonylContact C-O 3.39Å; L488-L585 HydrophobicContact CB-CD2 4.2Å; L488-L585 HydrophobicContact CD1-CD2 4.16Å; L488-L585 HydrophobicContact CD1-CG 4.23Å; L488-L585 HydrophobicContact CD2-CD2 4.14Å; L488-L585 HydrophobicContact CG-CD2 4.39Å
489A88.3Confident87.3Confident29 Ų2939.5 Ų39.524%0.2423%0.232CC..Hα-helixtrans-62.1-46.6177.600000111.7N485 Q486 L492 G493 G584N485-A489 PolarHBondContact O-N 3.03Å; Q486-A489 PolarHBondContact O-N 3.02Å; A489-L492 PolarHBondContact O-N 2.96Å; A489-G493 PolarHBondContact O-N 3.27Å; A489-G584 VanDerWaalsContact CA-O 3.25Å; A489-G584 WeakPolarHBondContact CA-O 3.23Å; A489-G584 PolarHBondContact N-O 2.86Å
490A87.2Confident87.1Confident33 Ų3340 Ų4027%0.27323%0.233SC..Hα-helixtrans-65.9-39.7176.800000112.7L445 Q486 G493 L494L445-A490 HydrophobicContact CD1-CB 3.58Å; L445-A490 HydrophobicContact CD2-CB 3.69Å; L445-A490 HydrophobicContact CG-CB 4.26Å; Q486-A490 PolarHBondContact O-N 3.44Å; Q486-A490 VanDerWaalsContact O-N 3.14Å; A490-G493 PolarHBondContact O-N 2.56Å; A490-L494 PolarHBondContact O-N 2.9Å; A490-L494 VanDerWaalsContact O-N 3.11Å
491M87.1Confident86.6Confident0 Ų043.8 Ų43.80%024%0.243CC..Hα-helixtrans-65.4-40.2176.3-173.258.8158.200112.1M452 T487 L488 G493 L494 S495 F499 F551M452-M491 HydrophobicContact CE-CE 3.53Å; M452-M491 HydrophobicContact CE-SD 3.58Å; M452-M491 VanDerWaalsContact CE-SD 3.58Å; T487-M491 VanDerWaalsContact O-CB 3.23Å; T487-M491 WeakPolarHBondContact O-CB 3.36Å; T487-M491 PolarHBondContact O-N 3.39Å; L488-M491 PolarHBondContact O-N 3.09Å; M491-G493 VanDerWaalsContact C-N 3.3Å; M491-G493 PolarHBondContact O-N 2.73Å; M491-L494 PolarHBondContact O-N 2.97Å; M491-L494 HydrophobicContact SD-CD1 4.36Å; M491-S495 PolarHBondContact O-N 3.38Å; M491-F499 HydrophobicContact CE-CD1 3.82Å; M491-F499 HydrophobicContact CE-CD2 4.02Å; M491-F499 HydrophobicContact CE-CE1 3.55Å; M491-F499 HydrophobicContact CE-CE2 3.76Å; M491-F499 HydrophobicContact CE-CG 4.04Å; M491-F499 HydrophobicContact CE-CZ 3.51Å; M491-F551 WeakPolarHBondContact CE-O 3.46Å; M491-F551 HydrophobicContact CG-CD2 4.31Å; M491-F551 WeakPolarHBondContact CG-O 3.27Å
492L85.8Confident86.1Confident26 Ų2645.8 Ų45.814%0.13625%0.25CS..Hα-helixtrans-61.8-37.7172.5178.958.7000111.7L488 A489 S495 P554 L610L488-L492 VanDerWaalsContact O-CB 3.26Å; L488-L492 WeakPolarHBondContact O-CB 3.48Å; L488-L492 PolarHBondContact O-N 2.89Å; A489-L492 PolarHBondContact O-N 2.96Å; L492-S495 CarbonylContact O-C 3.57Å; L492-S495 PolarHBondContact O-N 2.85Å; L492-P554 HydrophobicContact CD1-CB 4.13Å; L492-P554 HydrophobicContact CD1-CG 4.47Å; L492-L610 HydrophobicContact CD1-CD2 3.6Å
493G82.2Confident85.5Confident71 Ų7145.7 Ų45.773%0.73226%0.261SS*.Hα-helixtrans-65.2-3017300000114.6A489 A490 M491A489-G493 PolarHBondContact O-N 3.27Å; A490-G493 PolarHBondContact O-N 2.56Å; M491-G493 VanDerWaalsContact C-N 3.3Å; M491-G493 PolarHBondContact O-N 2.73Å
494L82.3Confident85.1Confident76 Ų7643.7 Ų43.740%0.39825%0.251SS..Hα-helixtrans-76.6-39.9173.3-66172.8000112.5L445 A490 M491 K501L445-L494 HydrophobicContact CD2-CD1 4.47Å; A490-L494 PolarHBondContact O-N 2.9Å; A490-L494 VanDerWaalsContact O-N 3.11Å; M491-L494 PolarHBondContact O-N 2.97Å; M491-L494 HydrophobicContact SD-CD1 4.36Å; L494-K501 PolarHBondContact O-NZ 3.23Å
495S84.8Confident84.6Confident10 Ų1044.9 Ų44.97%0.0726%0.261CS..  trans-167.1124.7-174179.60000112.4M491 L492 K497 G498M491-S495 PolarHBondContact O-N 3.38Å; L492-S495 CarbonylContact O-C 3.57Å; L492-S495 PolarHBondContact O-N 2.85Å; S495-K497 PolarHBondContact O-N 3.12Å; S495-K497 VanDerWaalsContact O-N 3.12Å; S495-K497 PolarHBondContact OG-N 2.85Å; S495-G498 VanDerWaalsContact CB-O 3.3Å; S495-G498 WeakPolarHBondContact CB-O 3.4Å; S495-G498 PolarHBondContact O-N 3.41Å; S495-G498 PolarHBondContact OG-N 3.19Å; S495-G498 VanDerWaalsContact OG-N 3.15Å; S495-G498 PolarHBondContact OG-O 2.96Å
496S84.5Confident84.1Confident39 Ų3947.7 Ų47.727%0.27328%0.282SS..THydrogen-bonded Turntrans-62-20.317072.20000113.3P554 E555 R613S496-P554 WeakPolarHBondContact O-CD 3.46Å; S496-E555 WeakPolarHBondContact O-CB 3.48Å; S496-E555 PolarHBondContact O-N 3.39Å; S496-R613 PolarHBondContact OG-NH2 2.96Å
497K86.1Confident83.7Confident95 Ų9545.2 Ų45.241%0.41328%0.275SS..THydrogen-bonded Turntrans-100.56.5176-64.2-176.7177.9178.80113.5S495 F499 F500 N553S495-K497 PolarHBondContact O-N 3.12Å; S495-K497 VanDerWaalsContact O-N 3.12Å; S495-K497 PolarHBondContact OG-N 2.85Å; K497-F499 PolarHBondContact O-N 3.16Å; K497-F500 HydrophobicContact CB-CB 4.43Å; K497-F500 WeakPolarHBondContact CB-O 3.34Å; K497-F500 WeakPolarHBondContact CD-O 3.21Å; K497-F500 PolarHBondContact O-N 3.2Å; K497-N553 WeakPolarHBondContact CA-OD1 3.49Å; K497-N553 VanDerWaalsContact O-CG 3.3Å
498G86.8Confident83.4Confident0 Ų045.5 Ų45.50%028%0.277CS..G310 helixtrans54.2-127.4-17500000111S495 F500 Q552S495-G498 VanDerWaalsContact CB-O 3.3Å; S495-G498 WeakPolarHBondContact CB-O 3.4Å; S495-G498 PolarHBondContact O-N 3.41Å; S495-G498 PolarHBondContact OG-N 3.19Å; S495-G498 VanDerWaalsContact OG-N 3.15Å; S495-G498 PolarHBondContact OG-O 2.96Å; G498-F500 PolarHBondContact O-N 3Å; G498-F500 VanDerWaalsContact O-N 3.17Å; G498-Q552 WeakPolarHBondContact CA-O 3.08Å
499F85.8Confident83.1Confident0 Ų048.2 Ų48.20%029%0.293CS..G310 helixtrans-63.6-15.8179.3-60-58.6000114.4L451 M452 L455 M469 M491 K497 K501 F551 Q552L451-F499 HydrophobicContact CB-CE1 4.45Å; L451-F499 HydrophobicContact CD2-CD1 3.59Å; L451-F499 HydrophobicContact CD2-CE1 3.71Å; L451-F499 HydrophobicContact CD2-CG 4.15Å; L451-F499 HydrophobicContact CD2-CZ 4.35Å; M452-F499 HydrophobicContact CE-CD1 4.04Å; M452-F499 HydrophobicContact CE-CE1 4.34Å; M452-F499 HydrophobicContact CG-CD1 3.79Å; M452-F499 HydrophobicContact CG-CE1 4.38Å; L455-F499 HydrophobicContact CD1-CB 3.89Å; L455-F499 HydrophobicContact CD1-CG 4.46Å; M469-F499 HydrophobicContact CE-CB 4.2Å; M469-F499 HydrophobicContact CE-CD2 3.91Å; M469-F499 HydrophobicContact CE-CG 4.33Å; M491-F499 HydrophobicContact CE-CD1 3.82Å; M491-F499 HydrophobicContact CE-CD2 4.02Å; M491-F499 HydrophobicContact CE-CE1 3.55Å; M491-F499 HydrophobicContact CE-CE2 3.76Å; M491-F499 HydrophobicContact CE-CG 4.04Å; M491-F499 HydrophobicContact CE-CZ 3.51Å; K497-F499 PolarHBondContact O-N 3.16Å; F499-K501 PolarHBondContact O-N 3.21Å; F499-F551 HydrophobicContact CE2-CE1 4.25Å; F499-F551 HydrophobicContact CZ-CE1 4.2Å; F499-F551 HydrophobicContact CZ-CZ 4.23Å; F499-Q552 HydrophobicContact CD2-CB 4.09Å; F499-Q552 HydrophobicContact CD2-CG 4.21Å; F499-Q552 HydrophobicContact CE2-CB 4.38Å; F499-Q552 HydrophobicContact CE2-CG 4.13Å; F499-Q552 PolarHBondContact N-O 3.31Å
500F85.3Confident82.9Confident22 Ų2251.8 Ų51.810%0.09631%0.305CS..G310 helixtrans-99.837.6-175.8-56.8-92.7000112.6M469 K497 G498 V504 V508 F512 N553M469-F500 HydrophobicContact CE-CE2 3.99Å; M469-F500 HydrophobicContact CE-CZ 3.85Å; K497-F500 HydrophobicContact CB-CB 4.43Å; K497-F500 WeakPolarHBondContact CB-O 3.34Å; K497-F500 WeakPolarHBondContact CD-O 3.21Å; K497-F500 PolarHBondContact O-N 3.2Å; G498-F500 PolarHBondContact O-N 3Å; G498-F500 VanDerWaalsContact O-N 3.17Å; F500-V504 HydrophobicContact CD1-CB 4.17Å; F500-V504 HydrophobicContact CD1-CG2 3.99Å; F500-V504 HydrophobicContact CE1-CB 4.42Å; F500-V508 HydrophobicContact CE1-CG1 4.34Å; F500-V508 HydrophobicContact CZ-CG1 4.43Å; F500-F512 HydrophobicContact CE2-CB 4.24Å; F500-F512 HydrophobicContact CE2-CD1 4.06Å; F500-F512 HydrophobicContact CE2-CD2 4.31Å; F500-F512 AromaticContact CE2-CG 3.9Å; F500-F512 HydrophobicContact CE2-CG 3.9Å; F500-F512 HydrophobicContact CZ-CB 3.66Å; F500-F512 HydrophobicContact CZ-CD1 4.1Å; F500-F512 AromaticContact CZ-CG 3.83Å; F500-F512 HydrophobicContact CZ-CG 3.83Å; F500-N553 HydrophobicContact CD2-CB 3.88Å; F500-N553 HydrophobicContact CE2-CB 4.28Å
501K80.2Confident82.8Confident135 Ų13551.5 Ų51.559%0.58731%0.305SS*.SBendtrans-66.3-45.1178.8-170.1172.4-176.6166.80111.7L494 F499L494-K501 PolarHBondContact O-NZ 3.23Å; F499-K501 PolarHBondContact O-N 3.21Å
502Q77.4Confident82.9Confident114 Ų11452 Ų5253%0.53331%0.307SS..SBendtrans-107.3165171.5-71.2-179.6-13.200109.7H456 V504H456-Q502 PolarHBondContact CD2-OE1 3.17Å; H456-Q502 VanDerWaalsContact CD2-OE1 3.32Å; Q502-V504 WeakPolarHBondContact O-CG2 3.29Å; Q502-V504 PolarHBondContact O-N 2.99Å
503P73.8Confident83.1Confident132 Ų13254.7 Ų54.786%0.85732%0.319SS*.  trans-60.2126175.623.9-34.5000112
504V79.8Confident83.4Confident17 Ų1757.2 Ų57.210%0.10331%0.312CS..  trans-109.3146.7178.5-174.40000108.6L455 F500 Q502 S506 V508L455-V504 HydrophobicContact CD2-CG1 4.04Å; F500-V504 HydrophobicContact CD1-CB 4.17Å; F500-V504 HydrophobicContact CD1-CG2 3.99Å; F500-V504 HydrophobicContact CE1-CB 4.42Å; Q502-V504 WeakPolarHBondContact O-CG2 3.29Å; Q502-V504 PolarHBondContact O-N 2.99Å; V504-S506 PolarHBondContact O-N 2.9Å; V504-V508 HydrophobicContact CG1-CB 3.85Å; V504-V508 HydrophobicContact CG1-CG1 3.92Å; V504-V508 HydrophobicContact CG1-CG2 4.15Å
505P79.9Confident83.8Confident42 Ų4256.2 Ų56.227%0.27331%0.305SS..  trans-47.2138.8179.6-32.636.9000114.4I462 A507 V508 T509I462-P505 HydrophobicContact CD1-CB 3.93Å; I462-P505 HydrophobicContact CD1-CG 4.44Å; I462-P505 HydrophobicContact CG1-CB 4.07Å; I462-P505 HydrophobicContact CG1-CG 4.26Å; P505-A507 VanDerWaalsContact C-N 3.28Å; P505-A507 PolarHBondContact O-N 3.02Å; P505-A507 VanDerWaalsContact O-N 3.16Å; P505-V508 WeakPolarHBondContact O-CB 3.26Å; P505-V508 PolarHBondContact O-N 3.02Å; P505-T509 PolarHBondContact O-N 2.83Å
506S80.8Confident84.1Confident78 Ų7855.9 Ų55.955%0.54530%0.303SS..Hα-helixtrans-55.5-41.3-168.669.80000113.1V504 V508 T509 E510V504-S506 PolarHBondContact O-N 2.9Å; S506-V508 PolarHBondContact O-N 3.2Å; S506-V508 VanDerWaalsContact O-N 3.08Å; S506-T509 CarbonylContact O-C 3.56Å; S506-T509 WeakPolarHBondContact O-CA 3.23Å; S506-T509 WeakPolarHBondContact O-CB 3.39Å; S506-T509 PolarHBondContact O-N 2.69Å; S506-E510 WeakPolarHBondContact CB-OE1 3.37Å; S506-E510 WeakPolarHBondContact O-CB 3.22Å; S506-E510 WeakPolarHBondContact O-CG 3.28Å; S506-E510 PolarHBondContact O-N 3.36Å; S506-E510 PolarHBondContact OG-OE1 2.87Å
507A79.8Confident84.5Confident29 Ų2957.8 Ų57.824%0.2431%0.31CS..Hα-helixtrans-65.7-10.3179.400000114.7I462 R466 P505I462-A507 HydrophobicContact CG2-CB 4.2Å; R466-A507 PolarHBondContact NH2-O 2.83Å; P505-A507 VanDerWaalsContact C-N 3.28Å; P505-A507 PolarHBondContact O-N 3.02Å; P505-A507 VanDerWaalsContact O-N 3.16Å
508V81.9Confident84.6Confident6 Ų659.3 Ų59.34%0.03632%0.32CS..Hα-helixtrans-87.4-48.3167.1-177.50000109.7I462 M469 F500 V504 P505 S506 E510 G511 F512I462-V508 HydrophobicContact CG2-CG2 4.12Å; M469-V508 HydrophobicContact CE-CG1 4.15Å; M469-V508 HydrophobicContact SD-CG1 3.42Å; M469-V508 WeakPolarHBondContact SD-CG1 3.48Å; F500-V508 HydrophobicContact CE1-CG1 4.34Å; F500-V508 HydrophobicContact CZ-CG1 4.43Å; V504-V508 HydrophobicContact CG1-CB 3.85Å; V504-V508 HydrophobicContact CG1-CG1 3.92Å; V504-V508 HydrophobicContact CG1-CG2 4.15Å; P505-V508 WeakPolarHBondContact O-CB 3.26Å; P505-V508 PolarHBondContact O-N 3.02Å; S506-V508 PolarHBondContact O-N 3.2Å; S506-V508 VanDerWaalsContact O-N 3.08Å; V508-E510 PolarHBondContact O-N 2.84Å; V508-G511 PolarHBondContact O-N 3.36Å; V508-G511 VanDerWaalsContact O-N 3.16Å; V508-F512 PolarHBondContact O-N 3.41Å
509T84.4Confident84.7Confident58 Ų5859.6 Ų59.636%0.35632%0.323SS..Hα-helixtrans-59.3-42.2178-55.10000112.5P505 S506 F512 Q513P505-T509 PolarHBondContact O-N 2.83Å; S506-T509 CarbonylContact O-C 3.56Å; S506-T509 WeakPolarHBondContact O-CA 3.23Å; S506-T509 WeakPolarHBondContact O-CB 3.39Å; S506-T509 PolarHBondContact O-N 2.69Å; T509-F512 PolarHBondContact O-N 3.38Å; T509-Q513 WeakPolarHBondContact O-CB 3.49Å; T509-Q513 PolarHBondContact O-N 2.94Å
510E85.8Confident84.9Confident105 Ų10560.2 Ų60.249%0.49133%0.325SS..Hα-helixtrans-62.4-42174.3-71.7162.8-143.200112S506 V508 Q513 Q514S506-E510 WeakPolarHBondContact CB-OE1 3.37Å; S506-E510 WeakPolarHBondContact O-CB 3.22Å; S506-E510 WeakPolarHBondContact O-CG 3.28Å; S506-E510 PolarHBondContact O-N 3.36Å; S506-E510 PolarHBondContact OG-OE1 2.87Å; V508-E510 PolarHBondContact O-N 2.84Å; E510-Q513 PolarHBondContact O-N 3.17Å; E510-Q514 VanDerWaalsContact O-CG 3.29Å; E510-Q514 WeakPolarHBondContact O-CG 3.26Å; E510-Q514 PolarHBondContact O-N 3.02Å
511G84.9Confident85Confident26 Ų2663.4 Ų63.427%0.26834%0.343SS..Hα-helixtrans-65.5-43.6177.600000112.3V508 Q514 E515V508-G511 PolarHBondContact O-N 3.36Å; V508-G511 VanDerWaalsContact O-N 3.16Å; G511-Q514 PolarHBondContact O-N 3.45Å; G511-E515 PolarHBondContact O-N 3.43Å
512F89.6Confident85.2Confident10 Ų1060.5 Ų60.54%0.04434%0.339CS..Hα-helixtrans-63-42172.6171.5-102.4000112F500 V508 T509 Q514 E515 L516 V549 Q552 N553 A556F500-F512 HydrophobicContact CE2-CB 4.24Å; F500-F512 HydrophobicContact CE2-CD1 4.06Å; F500-F512 HydrophobicContact CE2-CD2 4.31Å; F500-F512 AromaticContact CE2-CG 3.9Å; F500-F512 HydrophobicContact CE2-CG 3.9Å; F500-F512 HydrophobicContact CZ-CB 3.66Å; F500-F512 HydrophobicContact CZ-CD1 4.1Å; F500-F512 AromaticContact CZ-CG 3.83Å; F500-F512 HydrophobicContact CZ-CG 3.83Å; V508-F512 PolarHBondContact O-N 3.41Å; T509-F512 PolarHBondContact O-N 3.38Å; F512-Q514 VanDerWaalsContact C-N 3.29Å; F512-Q514 PolarHBondContact O-N 3.44Å; F512-E515 PolarHBondContact O-N 3.11Å; F512-L516 HydrophobicContact CE1-CB 4.44Å; F512-L516 HydrophobicContact CE1-CD2 3.9Å; F512-L516 HydrophobicContact CZ-CB 4.3Å; F512-L516 HydrophobicContact CZ-CD1 4.47Å; F512-L516 HydrophobicContact CZ-CD2 4.08Å; F512-L516 VanDerWaalsContact O-CB 3.28Å; F512-L516 WeakPolarHBondContact O-CB 3.25Å; F512-L516 PolarHBondContact O-N 3.44Å; F512-V549 HydrophobicContact CE2-CB 4.11Å; F512-Q552 HydrophobicContact CD2-CB 3.94Å; F512-Q552 HydrophobicContact CE2-CB 3.76Å; F512-N553 HydrophobicContact CE1-CB 3.86Å; F512-N553 HydrophobicContact CE2-CB 4.25Å; F512-N553 HydrophobicContact CZ-CB 3.6Å; F512-A556 HydrophobicContact CE1-CB 3.83Å; F512-A556 HydrophobicContact CZ-CB 4.11Å
513Q88.8Confident85.6Confident84 Ų8455.4 Ų55.439%0.39332%0.315SS..Hα-helixtrans-64.7-33.8177.6-17064.155.600112.1T509 E510 N517T509-Q513 WeakPolarHBondContact O-CB 3.49Å; T509-Q513 PolarHBondContact O-N 2.94Å; E510-Q513 PolarHBondContact O-N 3.17Å; Q513-N517 PolarHBondContact NE2-OD1 2.99Å; Q513-N517 VanDerWaalsContact O-CB 3.28Å; Q513-N517 WeakPolarHBondContact O-CB 3.43Å; Q513-N517 PolarHBondContact O-N 2.75Å; Q513-N517 PolarHBondContact O-ND2 2.95Å; Q513-N517 PolarHBondContact O-OD1 2.89Å
514Q89.6Confident85.9Confident124 Ų12451.6 Ų51.658%0.57929%0.287SS*.Hα-helixtrans-65.4-47.7171.8-72.1169.218.900111.6E510 G511 F512 L516 N517 M518E510-Q514 VanDerWaalsContact O-CG 3.29Å; E510-Q514 WeakPolarHBondContact O-CG 3.26Å; E510-Q514 PolarHBondContact O-N 3.02Å; G511-Q514 PolarHBondContact O-N 3.45Å; F512-Q514 VanDerWaalsContact C-N 3.29Å; F512-Q514 PolarHBondContact O-N 3.44Å; Q514-L516 PolarHBondContact O-N 2.96Å; Q514-N517 PolarHBondContact O-N 3.04Å; Q514-M518 WeakPolarHBondContact O-CB 3.49Å; Q514-M518 VanDerWaalsContact O-CG 3.31Å; Q514-M518 WeakPolarHBondContact O-CG 3.16Å; Q514-M518 PolarHBondContact O-N 3.26Å
515E90.2Very high85.6Confident55 Ų5557.7 Ų57.726%0.25732%0.315SS..Hα-helixtrans-61.9-42.4176.8-171.5175.5-14800111.9G511 F512 M518 A519 R548 V549 Q552G511-E515 PolarHBondContact O-N 3.43Å; F512-E515 PolarHBondContact O-N 3.11Å; E515-M518 PolarHBondContact O-N 3.46Å; E515-A519 WeakPolarHBondContact O-CB 3.25Å; E515-A519 PolarHBondContact O-N 2.62Å; E515-R548 IonicContact OE1-CZ 2.77Å; E515-R548 IonicContact OE1-NE 2.78Å; E515-R548 PolarHBondContact OE1-NE 2.74Å; E515-R548 IonicContact OE1-NH2 2.76Å; E515-R548 PolarHBondContact OE1-NH2 3.15Å; E515-R548 VanDerWaalsContact OE1-NH2 3.16Å; E515-V549 HydrophobicContact CG-CG1 4.19Å; E515-Q552 PolarHBondContact OE2-NE2 2.84Å
516L91.5Very high84.8Confident2 Ų258.4 Ų58.41%0.0133%0.329CS..Hα-helixtrans-60.5-49.3174.7-17862.1000111.5F512 Q514 M518 A519 F520 V549 A556F512-L516 HydrophobicContact CE1-CB 4.44Å; F512-L516 HydrophobicContact CE1-CD2 3.9Å; F512-L516 HydrophobicContact CZ-CB 4.3Å; F512-L516 HydrophobicContact CZ-CD1 4.47Å; F512-L516 HydrophobicContact CZ-CD2 4.08Å; F512-L516 VanDerWaalsContact O-CB 3.28Å; F512-L516 WeakPolarHBondContact O-CB 3.25Å; F512-L516 PolarHBondContact O-N 3.44Å; Q514-L516 PolarHBondContact O-N 2.96Å; L516-M518 VanDerWaalsContact C-N 3.34Å; L516-M518 PolarHBondContact O-N 3.29Å; L516-A519 PolarHBondContact O-N 2.69Å; L516-F520 HydrophobicContact CD1-CD2 3.87Å; L516-F520 HydrophobicContact CD1-CE2 3.64Å; L516-F520 WeakPolarHBondContact O-CD2 3.14Å; L516-F520 PolarHBondContact O-N 3.3Å; L516-V549 HydrophobicContact CD1-CB 4.05Å; L516-V549 HydrophobicContact CD1-CG2 3.81Å; L516-A556 HydrophobicContact CD2-CB 4.07Å
517N91.4Very high83.4Confident79 Ų7957.2 Ų57.242%0.42233%0.33SS..Hα-helixtrans-63.1-40.4177.4-71.1-5.4000111.6Q513 Q514 N521Q513-N517 PolarHBondContact NE2-OD1 2.99Å; Q513-N517 VanDerWaalsContact O-CB 3.28Å; Q513-N517 WeakPolarHBondContact O-CB 3.43Å; Q513-N517 PolarHBondContact O-N 2.75Å; Q513-N517 PolarHBondContact O-ND2 2.95Å; Q513-N517 PolarHBondContact O-OD1 2.89Å; Q514-N517 PolarHBondContact O-N 3.04Å; N517-N521 VanDerWaalsContact O-CB 3.23Å; N517-N521 WeakPolarHBondContact O-CB 3.42Å; N517-N521 PolarHBondContact O-N 3.47Å; N517-N521 PolarHBondContact O-ND2 3.39Å; N517-N521 VanDerWaalsContact O-ND2 3.15Å
518M89.6Confident81.7Confident127 Ų12759.2 Ų59.263%0.62635%0.353SS*.Hα-helixtrans-61.7-48.7175.4-77.7175.759.800111.8Q514 E515 L516 F520 N521 C522Q514-M518 WeakPolarHBondContact O-CB 3.49Å; Q514-M518 VanDerWaalsContact O-CG 3.31Å; Q514-M518 WeakPolarHBondContact O-CG 3.16Å; Q514-M518 PolarHBondContact O-N 3.26Å; E515-M518 PolarHBondContact O-N 3.46Å; L516-M518 VanDerWaalsContact C-N 3.34Å; L516-M518 PolarHBondContact O-N 3.29Å; M518-F520 PolarHBondContact O-N 2.93Å; M518-N521 PolarHBondContact O-N 3.28Å; M518-C522 WeakPolarHBondContact O-CB 3.42Å; M518-C522 PolarHBondContact O-N 3.4Å; M518-C522 PolarHBondContact O-SG 3.2Å; M518-C522 VanDerWaalsContact O-SG 3.32Å
519A88.9Confident79.7Confident7 Ų761.9 Ų61.96%0.05838%0.382CS..Hα-helixtrans-56.1-50.1-179.700000111.8E515 L516 C522 I523 L545 V549E515-A519 WeakPolarHBondContact O-CB 3.25Å; E515-A519 PolarHBondContact O-N 2.62Å; L516-A519 PolarHBondContact O-N 2.69Å; A519-C522 PolarHBondContact O-N 3Å; A519-I523 WeakPolarHBondContact O-CD1 3.36Å; A519-I523 VanDerWaalsContact O-CG1 3.24Å; A519-I523 WeakPolarHBondContact O-CG1 3.43Å; A519-I523 PolarHBondContact O-N 3.1Å; A519-I523 VanDerWaalsContact O-N 3.14Å; A519-L545 HydrophobicContact CB-CB 4.41Å; A519-V549 HydrophobicContact CB-CG1 4.23Å
520F88.4Confident77.2Confident13 Ų1363.9 Ų63.96%0.05740%0.404CS..Hα-helixtrans-70.5-36.3179.2-78.8-89.5000112.9L516 M518 I523 I524 V546 V549 C561 S564 M575L516-F520 HydrophobicContact CD1-CD2 3.87Å; L516-F520 HydrophobicContact CD1-CE2 3.64Å; L516-F520 WeakPolarHBondContact O-CD2 3.14Å; L516-F520 PolarHBondContact O-N 3.3Å; M518-F520 PolarHBondContact O-N 2.93Å; F520-I523 PolarHBondContact O-N 3.41Å; F520-I524 WeakPolarHBondContact O-CB 3.47Å; F520-I524 VanDerWaalsContact O-CG1 3.3Å; F520-I524 WeakPolarHBondContact O-CG1 3.15Å; F520-I524 PolarHBondContact O-N 2.75Å; F520-V546 HydrophobicContact CE1-CG2 4.41Å; F520-V546 HydrophobicContact CE2-CG2 4.48Å; F520-V546 HydrophobicContact CZ-CG2 4Å; F520-V549 HydrophobicContact CE2-CG2 4.39Å; F520-C561 HydrophobicContact CE1-CB 4.43Å; F520-C561 VanDerWaalsContact CZ-SG 3.54Å; F520-S564 WeakPolarHBondContact CD1-OG 3.18Å; F520-M575 HydrophobicContact CD1-CE 3.99Å; F520-M575 HydrophobicContact CD1-SD 4.32Å; F520-M575 HydrophobicContact CE1-CE 4.1Å; F520-M575 HydrophobicContact CE1-SD 3.83Å
521N87.9Confident74.9Confident89 Ų8964.1 Ų64.148%0.47642%0.417SS..Hα-helixtrans-62.5-43.3174-77.2-26.2000112N517 M518 I523 I524 Q525N517-N521 VanDerWaalsContact O-CB 3.23Å; N517-N521 WeakPolarHBondContact O-CB 3.42Å; N517-N521 PolarHBondContact O-N 3.47Å; N517-N521 PolarHBondContact O-ND2 3.39Å; N517-N521 VanDerWaalsContact O-ND2 3.15Å; M518-N521 PolarHBondContact O-N 3.28Å; N521-I523 VanDerWaalsContact C-N 3.34Å; N521-I523 PolarHBondContact O-N 2.71Å; N521-I524 PolarHBondContact O-N 3.04Å; N521-Q525 VanDerWaalsContact O-CB 3.28Å; N521-Q525 WeakPolarHBondContact O-CB 3.49Å; N521-Q525 VanDerWaalsContact O-CG 3.25Å; N521-Q525 WeakPolarHBondContact O-CG 3.36Å; N521-Q525 PolarHBondContact O-N 3.44Å
522C85.4Confident72.6Confident73 Ų7368 Ų6849%0.49345%0.447SS..Hα-helixtrans-61.5-40.4175.3-70.60000112.2M518 A519 G526M518-C522 WeakPolarHBondContact O-CB 3.42Å; M518-C522 PolarHBondContact O-N 3.4Å; M518-C522 PolarHBondContact O-SG 3.2Å; M518-C522 VanDerWaalsContact O-SG 3.32Å; A519-C522 PolarHBondContact O-N 3Å; C522-G526 PolarHBondContact O-N 3.09Å
523I85.6Confident70.3Confident8 Ų871.7 Ų71.74%0.04148%0.479CS..Hα-helixtrans-67.5-43.9178.5-66.7165.1000111.3A519 F520 N521 G527 A542 L545 V546 L574 M575 I578A519-I523 WeakPolarHBondContact O-CD1 3.36Å; A519-I523 VanDerWaalsContact O-CG1 3.24Å; A519-I523 WeakPolarHBondContact O-CG1 3.43Å; A519-I523 PolarHBondContact O-N 3.1Å; A519-I523 VanDerWaalsContact O-N 3.14Å; F520-I523 PolarHBondContact O-N 3.41Å; N521-I523 VanDerWaalsContact C-N 3.34Å; N521-I523 PolarHBondContact O-N 2.71Å; I523-G527 PolarHBondContact O-N 3.35Å; I523-A542 HydrophobicContact CD1-CB 4.13Å; I523-A542 HydrophobicContact CG1-CB 3.87Å; I523-A542 HydrophobicContact CG2-CB 4.33Å; I523-L545 HydrophobicContact CD1-CB 4.33Å; I523-L545 HydrophobicContact CG1-CD1 4.32Å; I523-V546 HydrophobicContact CD1-CG2 3.59Å; I523-L574 HydrophobicContact CG2-CD2 3.69Å; I523-L574 HydrophobicContact CG2-CG 4.32Å; I523-M575 HydrophobicContact CG2-CE 3.67Å; I523-I578 HydrophobicContact CG2-CD1 4.15Å
524I80.2Confident68.5Low52 Ų5271.8 Ų71.827%0.26749%0.485SS..Hα-helixtrans-70.1-43.2179.8-65.7-66.2000111.5F520 N521 G527 G528 N568 A571 M575F520-I524 WeakPolarHBondContact O-CB 3.47Å; F520-I524 VanDerWaalsContact O-CG1 3.3Å; F520-I524 WeakPolarHBondContact O-CG1 3.15Å; F520-I524 PolarHBondContact O-N 2.75Å; N521-I524 PolarHBondContact O-N 3.04Å; I524-G527 PolarHBondContact O-N 3.3Å; I524-G528 PolarHBondContact O-N 3.34Å; I524-N568 HydrophobicContact CD1-CB 4.01Å; I524-A571 HydrophobicContact CD1-CB 3.63Å; I524-M575 HydrophobicContact CD1-CE 4.12Å
525Q74Confident66.9Low145 Ų14568.6 Ų68.668%0.67848%0.477SS*.Hα-helixtrans-70.1-39.8178.5-68174.5600111.9N521 G527 G528N521-Q525 VanDerWaalsContact O-CB 3.28Å; N521-Q525 WeakPolarHBondContact O-CB 3.49Å; N521-Q525 VanDerWaalsContact O-CG 3.25Å; N521-Q525 WeakPolarHBondContact O-CG 3.36Å; N521-Q525 PolarHBondContact O-N 3.44Å; Q525-G527 PolarHBondContact O-N 3.04Å; Q525-G528 PolarHBondContact O-N 2.87Å
526G61.8Low65.4Low56 Ų5672.6 Ų72.658%0.57750%0.495SS*.Hα-helixtrans-66-20.4175.700000114.4C522C522-G526 PolarHBondContact O-N 3.09Å
527G52.6Low63.9Low54 Ų5474.4 Ų74.456%0.55752%0.515SS*.THydrogen-bonded Turntrans-91-1.317100000114.9I523 I524 Q525 G529I523-G527 PolarHBondContact O-N 3.35Å; I524-G527 PolarHBondContact O-N 3.3Å; Q525-G527 PolarHBondContact O-N 3.04Å; G527-G529 VanDerWaalsContact C-N 3.32Å; G527-G529 PolarHBondContact O-N 2.94Å
528G43.6Very low63.2Low71 Ų7175.2 Ų75.273%0.73252%0.519SS*.SBendtrans-79.1-0.3-168.800000116.6I524 Q525I524-G528 PolarHBondContact O-N 3.34Å; Q525-G528 PolarHBondContact O-N 2.87Å
529G40Very low62.9Low62 Ų6270 Ų7064%0.63949%0.494SS*.SBendtrans-132.4123.6-17300000113.8G527G527-G529 VanDerWaalsContact C-N 3.32Å; G527-G529 PolarHBondContact O-N 2.94Å
530A31.9Very low62.8Low99 Ų9973.7 Ų73.782%0.81852%0.515SS*.SBendtrans62.8111.4170.400000118.5
531S36.6Very low62.7Low110 Ų11077.1 Ų77.177%0.76954%0.537SS*.THydrogen-bonded Turntrans25.2106.5141-172.80000119.8A533S531-A533 VanDerWaalsContact C-N 3.32Å; S531-A533 PolarHBondContact O-N 3.19Å
532A37.3Very low62.7Low108 Ų10873.1 Ų73.189%0.89352%0.517SS*.THydrogen-bonded Turntrans59.616.4135.800000120.1
533A40.6Very low63Low87 Ų8770 Ų7072%0.71950%0.496SS*.  trans-141.389.3167.600000111.8S531 S535S531-A533 VanDerWaalsContact C-N 3.32Å; S531-A533 PolarHBondContact O-N 3.19Å; A533-S535 PolarHBondContact O-N 3.45Å; A533-S535 VanDerWaalsContact O-N 3.08Å
534V50.9Low63.2Low86 Ų8671.2 Ų71.252%0.52151%0.505SS..  trans-69.6105.5165.2-179.80000107.4N538 L539 L574V534-N538 HydrophobicContact CG1-CB 4.49Å; V534-L539 HydrophobicContact CG1-CB 4.12Å; V534-L574 HydrophobicContact CG1-CD1 4.43Å
535S56.5Low63.8Low58 Ų5871.5 Ų71.541%0.40651%0.507SS..  trans-60.5142173.8640000110.1A533 G537 N538 L539A533-S535 PolarHBondContact O-N 3.45Å; A533-S535 VanDerWaalsContact O-N 3.08Å; S535-G537 PolarHBondContact O-N 3.3Å; S535-G537 VanDerWaalsContact O-N 3.17Å; S535-N538 PolarHBondContact O-N 3.43Å; S535-N538 PolarHBondContact OG-OD1 3.37Å; S535-L539 PolarHBondContact O-N 3.05Å
536Q58.2Low64.7Low138 Ų13864.6 Ų64.665%0.64548%0.475SS*.Hα-helixtrans-56.1-37.1-176.7-71.9-71.18.700112.3N538 L539 T540Q536-N538 VanDerWaalsContact C-N 3.33Å; Q536-N538 PolarHBondContact O-N 3.09Å; Q536-L539 PolarHBondContact O-N 2.87Å; Q536-T540 PolarHBondContact O-N 2.73Å; Q536-T540 PolarHBondContact O-OG1 3.29Å
537G60.7Low66.2Low40 Ų4062 Ų6241%0.41245%0.447SS..Hα-helixtrans-63.3-31.317600000114.8S535 T540 T541S535-G537 PolarHBondContact O-N 3.3Å; S535-G537 VanDerWaalsContact O-N 3.17Å; G537-T540 WeakPolarHBondContact CA-OG1 3.46Å; G537-T540 PolarHBondContact O-OG1 2.78Å; G537-T541 WeakPolarHBondContact O-CB 3.42Å; G537-T541 PolarHBondContact O-N 3.49Å; G537-T541 PolarHBondContact O-OG1 3.32Å
538N77.3Confident68.2Low97 Ų9761.1 Ų61.152%0.51943%0.427SS..Hα-helixtrans-72.7-39174.5-71.413.4000110.5V534 S535 Q536 A542V534-N538 HydrophobicContact CG1-CB 4.49Å; S535-N538 PolarHBondContact O-N 3.43Å; S535-N538 PolarHBondContact OG-OD1 3.37Å; Q536-N538 VanDerWaalsContact C-N 3.33Å; Q536-N538 PolarHBondContact O-N 3.09Å; N538-A542 WeakPolarHBondContact O-CB 3.41Å; N538-A542 PolarHBondContact O-N 3.07Å
539L83.5Confident70.6Confident17 Ų1757.8 Ų57.89%0.08939%0.393CS..Hα-helixtrans-66.5-47.9176.6-178.860.4000111.9V534 S535 Q536 T541 A542 V543 L574 K577 I578V534-L539 HydrophobicContact CG1-CB 4.12Å; S535-L539 PolarHBondContact O-N 3.05Å; Q536-L539 PolarHBondContact O-N 2.87Å; L539-T541 VanDerWaalsContact C-N 3.26Å; L539-T541 PolarHBondContact O-N 3.39Å; L539-A542 PolarHBondContact O-N 2.94Å; L539-V543 HydrophobicContact CD1-CG2 4.06Å; L539-V543 HydrophobicContact CG-CG2 4.27Å; L539-V543 WeakPolarHBondContact O-CB 3.3Å; L539-V543 VanDerWaalsContact O-CG2 3.27Å; L539-V543 WeakPolarHBondContact O-CG2 3.36Å; L539-V543 PolarHBondContact O-N 3.17Å; L539-L574 HydrophobicContact CD1-CD1 4.05Å; L539-K577 HydrophobicContact CD1-CB 4.07Å; L539-K577 HydrophobicContact CD2-CB 4.46Å; L539-I578 HydrophobicContact CD1-CG1 3.99Å
540T84.9Confident73.1Confident84 Ų8454.9 Ų54.952%0.51536%0.362SS..Hα-helixtrans-61-36.1178.953.50000112.3Q536 G537 S544Q536-T540 PolarHBondContact O-N 2.73Å; Q536-T540 PolarHBondContact O-OG1 3.29Å; G537-T540 WeakPolarHBondContact CA-OG1 3.46Å; G537-T540 PolarHBondContact O-OG1 2.78Å; T540-S544 PolarHBondContact O-N 3.44Å
541T87.2Confident76Confident85 Ų8550.1 Ų50.152%0.52132%0.323SS..Hα-helixtrans-65.5-48.6174.8-56.60000111.1G537 L539 V543 S544 L545G537-T541 WeakPolarHBondContact O-CB 3.42Å; G537-T541 PolarHBondContact O-N 3.49Å; G537-T541 PolarHBondContact O-OG1 3.32Å; L539-T541 VanDerWaalsContact C-N 3.26Å; L539-T541 PolarHBondContact O-N 3.39Å; T541-V543 PolarHBondContact O-N 3.45Å; T541-S544 PolarHBondContact O-N 2.82Å; T541-L545 HydrophobicContact CG2-CD1 4.41Å; T541-L545 WeakPolarHBondContact O-CG 3.46Å; T541-L545 PolarHBondContact O-N 3.29Å
542A88.6Confident78.6Confident6 Ų645.3 Ų45.35%0.0529%0.288CS..Hα-helixtrans-62.4-41177.500000112.6I523 N538 L539 L545 V546 I578I523-A542 HydrophobicContact CD1-CB 4.13Å; I523-A542 HydrophobicContact CG1-CB 3.87Å; I523-A542 HydrophobicContact CG2-CB 4.33Å; N538-A542 WeakPolarHBondContact O-CB 3.41Å; N538-A542 PolarHBondContact O-N 3.07Å; L539-A542 PolarHBondContact O-N 2.94Å; A542-L545 PolarHBondContact O-N 3.43Å; A542-V546 PolarHBondContact O-N 3.44Å; A542-I578 HydrophobicContact CB-CD1 3.76Å; A542-I578 HydrophobicContact CB-CG1 4.17Å
543V90.8Very high81.2Confident7 Ų741 Ų414%0.04225%0.25CS..Hα-helixtrans-59.1-47.5173.8167.60000111L481 L539 T541 L545 V546 A547 I578 Q581 L582L481-V543 HydrophobicContact CD1-CG1 3.72Å; L539-V543 HydrophobicContact CD1-CG2 4.06Å; L539-V543 HydrophobicContact CG-CG2 4.27Å; L539-V543 WeakPolarHBondContact O-CB 3.3Å; L539-V543 VanDerWaalsContact O-CG2 3.27Å; L539-V543 WeakPolarHBondContact O-CG2 3.36Å; L539-V543 PolarHBondContact O-N 3.17Å; T541-V543 PolarHBondContact O-N 3.45Å; V543-L545 VanDerWaalsContact C-N 3.34Å; V543-L545 PolarHBondContact O-N 2.65Å; V543-V546 PolarHBondContact O-N 2.8Å; V543-A547 VanDerWaalsContact O-CB 3.24Å; V543-A547 WeakPolarHBondContact O-CB 3.41Å; V543-A547 PolarHBondContact O-N 3.39Å; V543-I578 HydrophobicContact CG2-CB 4.35Å; V543-I578 HydrophobicContact CG2-CG1 4.14Å; V543-I578 HydrophobicContact CG2-CG2 4.3Å; V543-Q581 HydrophobicContact CG1-CB 4.09Å; V543-Q581 HydrophobicContact CG2-CB 3.74Å; V543-Q581 HydrophobicContact CG2-CG 4.18Å; V543-L582 HydrophobicContact CG1-CD1 4.5Å; V543-L582 HydrophobicContact CG1-CD2 3.82Å; V543-L582 HydrophobicContact CG1-CG 4.06Å
544S90.7Very high83.7Confident33 Ų3336.8 Ų36.823%0.23122%0.216CC..Hα-helixtrans-70.3-29-179.8-159.40000113.3K484 T540 T541 R548K484-S544 PolarHBondContact NZ-OG 2.78Å; T540-S544 PolarHBondContact O-N 3.44Å; T541-S544 PolarHBondContact O-N 2.82Å; S544-R548 WeakPolarHBondContact O-CB 3.48Å; S544-R548 PolarHBondContact O-N 3.46Å; S544-R548 VanDerWaalsContact O-N 3.14Å
545L91.4Very high85.6Confident58 Ų5833.9 Ų33.930%0.30420%0.196SC..Hα-helixtrans-67.2-49.4171.8-74.6172.5000111.6A519 I523 T541 A542 V543 R548 V549A519-L545 HydrophobicContact CB-CB 4.41Å; I523-L545 HydrophobicContact CD1-CB 4.33Å; I523-L545 HydrophobicContact CG1-CD1 4.32Å; T541-L545 HydrophobicContact CG2-CD1 4.41Å; T541-L545 WeakPolarHBondContact O-CG 3.46Å; T541-L545 PolarHBondContact O-N 3.29Å; A542-L545 PolarHBondContact O-N 3.43Å; V543-L545 VanDerWaalsContact C-N 3.34Å; V543-L545 PolarHBondContact O-N 2.65Å; L545-R548 PolarHBondContact O-N 3.28Å; L545-V549 PolarHBondContact O-N 2.87Å
546V93.5Very high87.2Confident1 Ų132.1 Ų32.11%0.00619%0.185CC..Hα-helixtrans-65.2-40.9178.1173.70000111.2F520 I523 A542 V543 R548 V549 A550 I578 L582F520-V546 HydrophobicContact CE1-CG2 4.41Å; F520-V546 HydrophobicContact CE2-CG2 4.48Å; F520-V546 HydrophobicContact CZ-CG2 4Å; I523-V546 HydrophobicContact CD1-CG2 3.59Å; A542-V546 PolarHBondContact O-N 3.44Å; V543-V546 PolarHBondContact O-N 2.8Å; V546-R548 VanDerWaalsContact C-N 3.32Å; V546-R548 PolarHBondContact O-N 3.25Å; V546-V549 WeakPolarHBondContact O-CG2 3.46Å; V546-V549 PolarHBondContact O-N 3.12Å; V546-A550 WeakPolarHBondContact O-CB 3.44Å; V546-A550 PolarHBondContact O-N 3.17Å; V546-I578 HydrophobicContact CB-CG2 3.78Å; V546-I578 HydrophobicContact CG1-CG2 3.95Å; V546-I578 HydrophobicContact CG2-CG2 3.89Å; V546-L582 HydrophobicContact CB-CD1 4.28Å; V546-L582 HydrophobicContact CG1-CD1 3.98Å
547A93.6Very high88.9Confident0 Ų025.6 Ų25.60%016%0.155CC..Hα-helixtrans-57.7-43.2175.200000112.2F476 L488 V543 A550 F551 L582F476-A547 VanDerWaalsContact CE1-C 3.46Å; F476-A547 HydrophobicContact CE1-CB 3.78Å; F476-A547 WeakPolarHBondContact CE1-O 3.15Å; F476-A547 HydrophobicContact CZ-CB 4.05Å; L488-A547 HydrophobicContact CD1-CB 4.22Å; V543-A547 VanDerWaalsContact O-CB 3.24Å; V543-A547 WeakPolarHBondContact O-CB 3.41Å; V543-A547 PolarHBondContact O-N 3.39Å; A547-A550 PolarHBondContact O-N 3.28Å; A547-F551 WeakPolarHBondContact O-CB 3.49Å; A547-F551 PolarHBondContact O-N 3.25Å; A547-L582 HydrophobicContact CB-CD1 4.21Å; A547-L582 HydrophobicContact CB-CD2 3.84Å
548R93.8Very high90.4Very high37 Ų3723.8 Ų23.814%0.1414%0.136CC..Hα-helixtrans-62.8-43-179.2179.5-172.2171.893.72.5112.7A473 D474 S477 E515 S544 L545 V546A473-R548 HydrophobicContact CB-CG 4.25Å; A473-R548 PolarHBondContact O-NH1 3.12Å; D474-R548 IonicContact OD1-CZ 3.68Å; D474-R548 VanDerWaalsContact OD1-CZ 3.23Å; D474-R548 IonicContact OD1-NH1 3.11Å; D474-R548 PolarHBondContact OD1-NH1 3.3Å; D474-R548 IonicContact OD1-NH2 3.76Å; D474-R548 PolarHBondContact OD1-NH2 3.15Å; S477-R548 WeakPolarHBondContact OG-CD 3.39Å; S477-R548 PolarHBondContact OG-NH1 3.33Å; E515-R548 IonicContact OE1-CZ 2.77Å; E515-R548 IonicContact OE1-NE 2.78Å; E515-R548 PolarHBondContact OE1-NE 2.74Å; E515-R548 IonicContact OE1-NH2 2.76Å; E515-R548 PolarHBondContact OE1-NH2 3.15Å; E515-R548 VanDerWaalsContact OE1-NH2 3.16Å; S544-R548 WeakPolarHBondContact O-CB 3.48Å; S544-R548 PolarHBondContact O-N 3.46Å; S544-R548 VanDerWaalsContact O-N 3.14Å; L545-R548 PolarHBondContact O-N 3.28Å; V546-R548 VanDerWaalsContact C-N 3.32Å; V546-R548 PolarHBondContact O-N 3.25Å
549V93.9Very high91.1Very high1 Ų121.9 Ų21.91%0.00612%0.123CC..Hα-helixtrans-77-31.6177.3-62.50000111.9F512 E515 L516 A519 F520 L545 V546 Q552 N553 A557F512-V549 HydrophobicContact CE2-CB 4.11Å; E515-V549 HydrophobicContact CG-CG1 4.19Å; L516-V549 HydrophobicContact CD1-CB 4.05Å; L516-V549 HydrophobicContact CD1-CG2 3.81Å; A519-V549 HydrophobicContact CB-CG1 4.23Å; F520-V549 HydrophobicContact CE2-CG2 4.39Å; L545-V549 PolarHBondContact O-N 2.87Å; V546-V549 WeakPolarHBondContact O-CG2 3.46Å; V546-V549 PolarHBondContact O-N 3.12Å; V549-Q552 PolarHBondContact O-N 2.71Å; V549-N553 PolarHBondContact O-N 3.27Å; V549-A557 HydrophobicContact CG2-CB 4.01Å
550A93.1Very high91.5Very high0 Ų022.3 Ų22.30%013%0.127CC..Hα-helixtrans-68.2-34.1173.900000112.8L488 V546 A547 Q552 N553 P554 A557 L585L488-A550 HydrophobicContact CD2-CB 4.05Å; V546-A550 WeakPolarHBondContact O-CB 3.44Å; V546-A550 PolarHBondContact O-N 3.17Å; A547-A550 PolarHBondContact O-N 3.28Å; A550-Q552 VanDerWaalsContact C-N 3.27Å; A550-Q552 PolarHBondContact O-N 3.26Å; A550-N553 CarbonylContact O-C 3.57Å; A550-N553 PolarHBondContact O-N 2.86Å; A550-P554 WeakPolarHBondContact O-CA 3.43Å; A550-P554 WeakPolarHBondContact O-CD 3.27Å; A550-P554 VanDerWaalsContact O-CG 3.25Å; A550-P554 WeakPolarHBondContact O-CG 3.32Å; A550-A557 VanDerWaalsContact CA-CB 3.49Å; A550-A557 HydrophobicContact CB-CB 3.61Å; A550-L585 HydrophobicContact CB-CD1 4.11Å; A550-L585 HydrophobicContact CB-CD2 3.94Å
551F93Very high91.9Very high0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-60.6-37.1172.2172.4-112.3000111.9L444 S448 A472 F476 T487 L488 M491 F499 A547L444-F551 HydrophobicContact CD1-CZ 3.98Å; L444-F551 HydrophobicContact CD2-CE2 4.41Å; L444-F551 HydrophobicContact CD2-CZ 4.18Å; L444-F551 HydrophobicContact CG-CE2 4.38Å; L444-F551 HydrophobicContact CG-CZ 3.99Å; S448-F551 WeakPolarHBondContact OG-CZ 3.38Å; A472-F551 HydrophobicContact CB-CE1 4.28Å; F476-F551 HydrophobicContact CB-CD1 3.76Å; F476-F551 HydrophobicContact CB-CE1 3.87Å; F476-F551 HydrophobicContact CB-CG 4.18Å; F476-F551 HydrophobicContact CB-CZ 4.37Å; F476-F551 HydrophobicContact CD1-CB 3.96Å; F476-F551 HydrophobicContact CD1-CD1 4.34Å; F476-F551 HydrophobicContact CD1-CG 4.18Å; F476-F551 HydrophobicContact CD2-CB 3.91Å; F476-F551 HydrophobicContact CD2-CD1 4.03Å; F476-F551 AromaticContact CD2-CD2 3.52Å; F476-F551 HydrophobicContact CD2-CD2 3.52Å; F476-F551 HydrophobicContact CD2-CE1 4.46Å; F476-F551 HydrophobicContact CD2-CE2 4Å; F476-F551 AromaticContact CD2-CG 3.54Å; F476-F551 HydrophobicContact CD2-CG 3.54Å; F476-F551 HydrophobicContact CD2-CZ 4.44Å; F476-F551 HydrophobicContact CE1-CB 3.94Å; F476-F551 HydrophobicContact CE2-CB 3.86Å; F476-F551 AromaticContact CE2-CD2 3.85Å; F476-F551 HydrophobicContact CE2-CD2 3.85Å; F476-F551 AromaticContact CE2-CG 3.94Å; F476-F551 HydrophobicContact CE2-CG 3.94Å; F476-F551 HydrophobicContact CG-CB 3.96Å; F476-F551 AromaticContact CG-CD1 3.77Å; F476-F551 HydrophobicContact CG-CD1 3.77Å; F476-F551 HydrophobicContact CG-CD2 4.13Å; F476-F551 HydrophobicContact CG-CE1 4.28Å; F476-F551 AromaticContact CG-CG 3.68Å; F476-F551 HydrophobicContact CG-CG 3.68Å; F476-F551 HydrophobicContact CZ-CB 3.88Å; F476-F551 HydrophobicContact CZ-CG 4.43Å; T487-F551 HydrophobicContact CG2-CD2 4.04Å; T487-F551 HydrophobicContact CG2-CE2 3.75Å; L488-F551 HydrophobicContact CD2-CB 3.94Å; M491-F551 WeakPolarHBondContact CE-O 3.46Å; M491-F551 HydrophobicContact CG-CD2 4.31Å; M491-F551 WeakPolarHBondContact CG-O 3.27Å; F499-F551 HydrophobicContact CE2-CE1 4.25Å; F499-F551 HydrophobicContact CZ-CE1 4.2Å; F499-F551 HydrophobicContact CZ-CZ 4.23Å; A547-F551 WeakPolarHBondContact O-CB 3.49Å; A547-F551 PolarHBondContact O-N 3.25Å
552Q91.8Very high92.1Very high8 Ų814.2 Ų14.24%0.0378%0.078CC..Hα-helixtrans-75.5-41.6176.1-67.6-178.973.500112.9G498 F499 F512 E515 V549 A550G498-Q552 WeakPolarHBondContact CA-O 3.08Å; F499-Q552 HydrophobicContact CD2-CB 4.09Å; F499-Q552 HydrophobicContact CD2-CG 4.21Å; F499-Q552 HydrophobicContact CE2-CB 4.38Å; F499-Q552 HydrophobicContact CE2-CG 4.13Å; F499-Q552 PolarHBondContact N-O 3.31Å; F512-Q552 HydrophobicContact CD2-CB 3.94Å; F512-Q552 HydrophobicContact CE2-CB 3.76Å; E515-Q552 PolarHBondContact OE2-NE2 2.84Å; V549-Q552 PolarHBondContact O-N 2.71Å; A550-Q552 VanDerWaalsContact C-N 3.27Å; A550-Q552 PolarHBondContact O-N 3.26Å
553N91.8Very high92.2Very high17 Ų1718.6 Ų18.69%0.09110%0.097CC..  trans-153.797.3179.1-170.7-29.5000111.2K497 F500 F512 V549 A550 E555 A556 A557K497-N553 WeakPolarHBondContact CA-OD1 3.49Å; K497-N553 VanDerWaalsContact O-CG 3.3Å; F500-N553 HydrophobicContact CD2-CB 3.88Å; F500-N553 HydrophobicContact CE2-CB 4.28Å; F512-N553 HydrophobicContact CE1-CB 3.86Å; F512-N553 HydrophobicContact CE2-CB 4.25Å; F512-N553 HydrophobicContact CZ-CB 3.6Å; V549-N553 PolarHBondContact O-N 3.27Å; A550-N553 CarbonylContact O-C 3.57Å; A550-N553 PolarHBondContact O-N 2.86Å; N553-E555 PolarHBondContact O-N 3.25Å; N553-E555 PolarHBondContact OD1-N 2.87Å; N553-A556 HydrophobicContact CB-CB 3.99Å; N553-A556 VanDerWaalsContact CG-CB 3.47Å; N553-A556 PolarHBondContact O-N 2.82Å; N553-A556 WeakPolarHBondContact OD1-CB 3.47Å; N553-A556 PolarHBondContact OD1-N 2.96Å; N553-A557 PolarHBondContact O-N 3.44Å; N553-A557 VanDerWaalsContact O-N 3.12Å
554P91.8Very high92.2Very high0 Ų018.6 Ų18.60%010%0.097CC..Hα-helixtrans-60.3-46-176.3-23.931.9000113L492 S496 A550 A556 A557 I558 L585 L610L492-P554 HydrophobicContact CD1-CB 4.13Å; L492-P554 HydrophobicContact CD1-CG 4.47Å; S496-P554 WeakPolarHBondContact O-CD 3.46Å; A550-P554 WeakPolarHBondContact O-CA 3.43Å; A550-P554 WeakPolarHBondContact O-CD 3.27Å; A550-P554 VanDerWaalsContact O-CG 3.25Å; A550-P554 WeakPolarHBondContact O-CG 3.32Å; P554-A556 PolarHBondContact O-N 2.88Å; P554-A557 PolarHBondContact O-N 3.09Å; P554-I558 WeakPolarHBondContact O-CB 3.37Å; P554-I558 VanDerWaalsContact O-CG1 3.24Å; P554-I558 WeakPolarHBondContact O-CG1 3.11Å; P554-I558 PolarHBondContact O-N 3.13Å; P554-L585 HydrophobicContact CB-CD2 4.49Å; P554-L610 HydrophobicContact CB-CD2 4.43Å
555E91.3Very high92.2Very high24 Ų2417 Ų1711%0.1129%0.086CC..Hα-helixtrans-61.3-43.6-179.6179.1172.2150.400112.1S496 N553 I558 K559 L610 R613S496-E555 WeakPolarHBondContact O-CB 3.48Å; S496-E555 PolarHBondContact O-N 3.39Å; N553-E555 PolarHBondContact O-N 3.25Å; N553-E555 PolarHBondContact OD1-N 2.87Å; E555-I558 PolarHBondContact O-N 2.84Å; E555-K559 HydrophobicContact CG-CD 4.03Å; E555-K559 WeakPolarHBondContact O-CB 3.37Å; E555-K559 WeakPolarHBondContact O-CG 2.95Å; E555-K559 PolarHBondContact O-N 3.37Å; E555-K559 IonicContact OE1-NZ 2.69Å; E555-K559 PolarHBondContact OE1-NZ 3.48Å; E555-L610 HydrophobicContact CB-CD1 4.23Å; E555-L610 HydrophobicContact CG-CD1 4.19Å; E555-R613 IonicContact OE2-CZ 2.7Å; E555-R613 IonicContact OE2-NH2 3.75Å; E555-R613 PolarHBondContact OE2-NH2 2.92Å
556A91.6Very high92.2Very high21 Ų2114.2 Ų14.217%0.1747%0.072CC..Hα-helixtrans-66.4-42.8178.700000112.1F512 L516 N553 P554 K559 S560F512-A556 HydrophobicContact CE1-CB 3.83Å; F512-A556 HydrophobicContact CZ-CB 4.11Å; L516-A556 HydrophobicContact CD2-CB 4.07Å; N553-A556 HydrophobicContact CB-CB 3.99Å; N553-A556 VanDerWaalsContact CG-CB 3.47Å; N553-A556 PolarHBondContact O-N 2.82Å; N553-A556 WeakPolarHBondContact OD1-CB 3.47Å; N553-A556 PolarHBondContact OD1-N 2.96Å; P554-A556 PolarHBondContact O-N 2.88Å; A556-K559 PolarHBondContact O-N 3.4Å; A556-S560 PolarHBondContact O-N 2.96Å; A556-S560 PolarHBondContact O-OG 2.95Å
557A93Very high92Very high1 Ų116 Ų161%0.0088%0.08CC..Hα-helixtrans-63.5-41.5176.400000112.4V549 A550 N553 P554 S560 C561V549-A557 HydrophobicContact CG2-CB 4.01Å; A550-A557 VanDerWaalsContact CA-CB 3.49Å; A550-A557 HydrophobicContact CB-CB 3.61Å; N553-A557 PolarHBondContact O-N 3.44Å; N553-A557 VanDerWaalsContact O-N 3.12Å; P554-A557 PolarHBondContact O-N 3.09Å; A557-S560 PolarHBondContact O-N 2.78Å; A557-C561 PolarHBondContact O-N 2.64Å; A557-C561 PolarHBondContact O-SG 3.2Å; A557-C561 VanDerWaalsContact O-SG 3.35Å
558I92.5Very high91.7Very high2 Ų218.7 Ų18.71%0.019%0.094CC..Hα-helixtrans-68-39.1176.5-68.2167.2000110.9P554 E555 C561 C562 L585 L610 L611 C614P554-I558 WeakPolarHBondContact O-CB 3.37Å; P554-I558 VanDerWaalsContact O-CG1 3.24Å; P554-I558 WeakPolarHBondContact O-CG1 3.11Å; P554-I558 PolarHBondContact O-N 3.13Å; E555-I558 PolarHBondContact O-N 2.84Å; I558-C561 WeakPolarHBondContact O-CB 3.43Å; I558-C561 PolarHBondContact O-N 3.4Å; I558-C562 PolarHBondContact O-N 2.97Å; I558-C562 PolarHBondContact O-SG 2.95Å; I558-L585 HydrophobicContact CD1-CB 4.39Å; I558-L610 HydrophobicContact CD1-CD2 3.74Å; I558-L610 HydrophobicContact CD1-CG 4.06Å; I558-L611 HydrophobicContact CG2-CD1 3.85Å; I558-C614 HydrophobicContact CG2-CB 3.74Å
559K91.9Very high91.3Very high57 Ų5727 Ų2725%0.24813%0.131CC..Hα-helixtrans-62.4-42.3173.5-78.4177.2173.5176.80111.8E555 A556 C562 H563 C614 D617E555-K559 HydrophobicContact CG-CD 4.03Å; E555-K559 WeakPolarHBondContact O-CB 3.37Å; E555-K559 WeakPolarHBondContact O-CG 2.95Å; E555-K559 PolarHBondContact O-N 3.37Å; E555-K559 IonicContact OE1-NZ 2.69Å; E555-K559 PolarHBondContact OE1-NZ 3.48Å; A556-K559 PolarHBondContact O-N 3.4Å; K559-C562 PolarHBondContact O-N 3.15Å; K559-H563 WeakPolarHBondContact O-CB 3.48Å; K559-H563 PolarHBondContact O-N 3.16Å; K559-C614 HydrophobicContact CG-CB 3.6Å; K559-D617 WeakPolarHBondContact CE-OD2 3.49Å; K559-D617 IonicContact NZ-OD2 3.94Å; K559-D617 PolarHBondContact NZ-OD2 2.93Å
560S91.9Very high90.7Very high26 Ų2628.6 Ų28.618%0.18215%0.148CC..Hα-helixtrans-64.7-36.4173.2-660000113.2A556 A557 S564A556-S560 PolarHBondContact O-N 2.96Å; A556-S560 PolarHBondContact O-OG 2.95Å; A557-S560 PolarHBondContact O-N 2.78Å; S560-S564 VanDerWaalsContact O-CB 3.24Å; S560-S564 WeakPolarHBondContact O-CB 3.49Å; S560-S564 PolarHBondContact O-N 3.08Å; S560-S564 PolarHBondContact O-OG 2.88Å
561C92Very high90.5Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-61.2-48.9169.9-710000111.9F520 A557 I558 S564 A565 L579F520-C561 HydrophobicContact CE1-CB 4.43Å; F520-C561 VanDerWaalsContact CZ-SG 3.54Å; A557-C561 PolarHBondContact O-N 2.64Å; A557-C561 PolarHBondContact O-SG 3.2Å; A557-C561 VanDerWaalsContact O-SG 3.35Å; I558-C561 WeakPolarHBondContact O-CB 3.43Å; I558-C561 PolarHBondContact O-N 3.4Å; C561-S564 PolarHBondContact O-N 3.34Å; C561-A565 VanDerWaalsContact O-CB 3.31Å; C561-A565 WeakPolarHBondContact O-CB 3.34Å; C561-A565 PolarHBondContact O-N 3.18Å; C561-L579 HydrophobicContact CB-CD1 4.46Å
562C91.4Very high90.3Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-60.2-51.2179.8-66.30000111.4I558 K559 S564 A565 V566 L615 T618I558-C562 PolarHBondContact O-N 2.97Å; I558-C562 PolarHBondContact O-SG 2.95Å; K559-C562 PolarHBondContact O-N 3.15Å; C562-S564 VanDerWaalsContact C-N 3.34Å; C562-S564 PolarHBondContact O-N 3.35Å; C562-A565 PolarHBondContact O-N 3.33Å; C562-V566 WeakPolarHBondContact O-CG2 3.14Å; C562-V566 PolarHBondContact O-N 3.27Å; C562-L615 HydrophobicContact CB-CD1 3.75Å; C562-T618 HydrophobicContact CB-CG2 4.41Å
563H91.8Very high90.1Very high97 Ų9733 Ų3345%0.44918%0.176SC..Hα-helixtrans-57.5-45.9176.8-177.9-72.9000111.6K559 F567 T618K559-H563 WeakPolarHBondContact O-CB 3.48Å; K559-H563 PolarHBondContact O-N 3.16Å; H563-F567 HydrophobicContact CB-CD2 4.47Å; H563-F567 AromaticContact CD2-CD2 3.54Å; H563-F567 AromaticContact CD2-CE2 3.86Å; H563-F567 AromaticContact CE1-CD2 3.92Å; H563-F567 AromaticContact CG-CD2 3.8Å; H563-F567 AromaticContact NE2-CD2 3.62Å; H563-F567 WeakPolarHBondContact O-CB 3.19Å; H563-F567 WeakPolarHBondContact O-CD2 3.47Å; H563-F567 PolarHBondContact O-N 2.98Å; H563-T618 HydrophobicContact CB-CG2 4.32Å
564S90.8Very high90Very high7 Ų733.6 Ų33.65%0.04918%0.179CC..Hα-helixtrans-64.3-42.8178.5-61.20000112.4F520 S560 C561 C562 N568 A571F520-S564 WeakPolarHBondContact CD1-OG 3.18Å; S560-S564 VanDerWaalsContact O-CB 3.24Å; S560-S564 WeakPolarHBondContact O-CB 3.49Å; S560-S564 PolarHBondContact O-N 3.08Å; S560-S564 PolarHBondContact O-OG 2.88Å; C561-S564 PolarHBondContact O-N 3.34Å; C562-S564 VanDerWaalsContact C-N 3.34Å; C562-S564 PolarHBondContact O-N 3.35Å; S564-N568 VanDerWaalsContact O-CB 3.3Å; S564-N568 WeakPolarHBondContact O-CB 3.45Å; S564-N568 PolarHBondContact O-N 3.19Å; S564-N568 VanDerWaalsContact O-N 3.1Å; S564-A571 WeakPolarHBondContact O-CB 3.08Å
565A90.9Very high89.9Confident0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-65.9-40.1-178.800000112.9C561 C562 F572 M575 F635C561-A565 VanDerWaalsContact O-CB 3.31Å; C561-A565 WeakPolarHBondContact O-CB 3.34Å; C561-A565 PolarHBondContact O-N 3.18Å; C562-A565 PolarHBondContact O-N 3.33Å; A565-F572 HydrophobicContact CB-CB 4.39Å; A565-M575 HydrophobicContact CB-CB 4Å; A565-M575 HydrophobicContact CB-CG 4.23Å; A565-F635 HydrophobicContact CB-CB 4.46Å; A565-F635 HydrophobicContact CB-CD1 3.84Å; A565-F635 HydrophobicContact CB-CD2 3.57Å; A565-F635 HydrophobicContact CB-CE1 3.84Å; A565-F635 HydrophobicContact CB-CE2 3.57Å; A565-F635 HydrophobicContact CB-CG 3.7Å; A565-F635 HydrophobicContact CB-CZ 3.7Å
566V90.1Very high89.9Confident0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-79.4-46.8-178.2177.90000111.8C562 L615 M624 E628 Q631 L632C562-V566 WeakPolarHBondContact O-CG2 3.14Å; C562-V566 PolarHBondContact O-N 3.27Å; V566-L615 HydrophobicContact CG2-CD1 3.99Å; V566-M624 HydrophobicContact CG1-SD 3.62Å; V566-E628 HydrophobicContact CG1-CB 4.24Å; V566-Q631 PolarHBondContact O-NE2 2.7Å; V566-L632 HydrophobicContact CG2-CB 4.3Å; V566-L632 HydrophobicContact CG2-CD1 3.98Å
567F89.6Confident89.8Confident38 Ų3836.3 Ų36.317%0.16719%0.186CC..Hα-helixtrans-98.9-23.6-167.1-58.8-53.4000115.3H563 T618 K622 E628H563-F567 HydrophobicContact CB-CD2 4.47Å; H563-F567 AromaticContact CD2-CD2 3.54Å; H563-F567 AromaticContact CD2-CE2 3.86Å; H563-F567 AromaticContact CE1-CD2 3.92Å; H563-F567 AromaticContact CG-CD2 3.8Å; H563-F567 AromaticContact NE2-CD2 3.62Å; H563-F567 WeakPolarHBondContact O-CB 3.19Å; H563-F567 WeakPolarHBondContact O-CD2 3.47Å; H563-F567 PolarHBondContact O-N 2.98Å; F567-T618 HydrophobicContact CD2-CG2 4.44Å; F567-T618 HydrophobicContact CE2-CG2 3.68Å; F567-T618 HydrophobicContact CZ-CG2 4.34Å; F567-K622 HydrophobicContact CD1-CD 4.47Å; F567-K622 HydrophobicContact CE1-CD 3.86Å; F567-K622 HydrophobicContact CZ-CB 4.35Å; F567-K622 HydrophobicContact CZ-CD 4.21Å; F567-E628 HydrophobicContact CD1-CG 4.08Å; F567-E628 VanDerWaalsContact CD1-OE1 3.23Å; F567-E628 WeakPolarHBondContact CD1-OE1 3.24Å
568N88.6Confident89.6Confident56 Ų5636.2 Ų36.230%0.29919%0.186SC..SBendtrans-90.8123.6176.5-62.4-29.2000110.4I524 S564 G570 A571 Q631I524-N568 HydrophobicContact CD1-CB 4.01Å; S564-N568 VanDerWaalsContact O-CB 3.3Å; S564-N568 WeakPolarHBondContact O-CB 3.45Å; S564-N568 PolarHBondContact O-N 3.19Å; S564-N568 VanDerWaalsContact O-N 3.1Å; N568-G570 PolarHBondContact O-N 3.38Å; N568-A571 HydrophobicContact CB-CB 3.8Å; N568-A571 WeakPolarHBondContact O-CB 3.15Å; N568-A571 PolarHBondContact O-N 3.44Å; N568-Q631 PolarHBondContact O-NE2 3.03Å; N568-Q631 PolarHBondContact O-OE1 3.19Å
569K84.9Confident89.6Confident211 Ų21136.2 Ų36.292%0.91719%0.186SC*.THydrogen-bonded Turntrans-63.3120.2-173.6-170.6176.4179.8179.70111.8A571K569-A571 VanDerWaalsContact C-N 3.33Å
570G81.3Confident89.4Confident35 Ų3535.4 Ų35.436%0.36118%0.183SC..THydrogen-bonded Turntrans87.4-15.9-179.200000115.4N568 F572 S573N568-G570 PolarHBondContact O-N 3.38Å; G570-F572 VanDerWaalsContact C-N 3.29Å; G570-F572 PolarHBondContact O-N 3.26Å; G570-S573 PolarHBondContact O-OG 3.45Å
571A87.8Confident89.3Confident12 Ų1237.4 Ų37.410%0.09919%0.189CC..THydrogen-bonded Turntrans-69.5-22-169.400000114.4I524 S564 N568 K569 S573 L574 M575I524-A571 HydrophobicContact CD1-CB 3.63Å; S564-A571 WeakPolarHBondContact O-CB 3.08Å; N568-A571 HydrophobicContact CB-CB 3.8Å; N568-A571 WeakPolarHBondContact O-CB 3.15Å; N568-A571 PolarHBondContact O-N 3.44Å; K569-A571 VanDerWaalsContact C-N 3.33Å; A571-S573 PolarHBondContact O-N 3.23Å; A571-S573 VanDerWaalsContact O-N 3.13Å; A571-L574 PolarHBondContact O-N 3.3Å; A571-L574 VanDerWaalsContact O-N 3.13Å; A571-M575 WeakPolarHBondContact O-CG 3.16Å; A571-M575 PolarHBondContact O-N 3.39Å
572F88.8Confident89.2Confident38 Ų3837.4 Ų37.417%0.16719%0.189CC..Hα-helixtrans-48.6-40.7178.565.9-88.9000113.3A565 G570 M575 A576 Q631 K634 F635 L638A565-F572 HydrophobicContact CB-CB 4.39Å; G570-F572 VanDerWaalsContact C-N 3.29Å; G570-F572 PolarHBondContact O-N 3.26Å; F572-M575 PolarHBondContact O-N 3.43Å; F572-A576 WeakPolarHBondContact O-CB 3.42Å; F572-A576 PolarHBondContact O-N 2.87Å; F572-Q631 HydrophobicContact CD1-CB 4.2Å; F572-Q631 HydrophobicContact CD1-CG 4.29Å; F572-K634 HydrophobicContact CD2-CB 3.68Å; F572-K634 HydrophobicContact CE2-CB 3.55Å; F572-K634 HydrophobicContact CE2-CD 4.15Å; F572-K634 HydrophobicContact CE2-CG 4.39Å; F572-K634 HydrophobicContact CG-CB 4.43Å; F572-K634 HydrophobicContact CZ-CB 4.17Å; F572-K634 HydrophobicContact CZ-CD 3.97Å; F572-F635 HydrophobicContact CB-CB 3.95Å; F572-F635 HydrophobicContact CB-CD2 4.34Å; F572-L638 HydrophobicContact CD2-CD1 4.13Å; F572-L638 HydrophobicContact CE2-CD1 4.33Å
573S89.3Confident89Confident52 Ų5240.1 Ų40.136%0.36421%0.207SC..Hα-helixtrans-68.7-37.7-176.261.90000113.1G570 A571 K577G570-S573 PolarHBondContact O-OG 3.45Å; A571-S573 PolarHBondContact O-N 3.23Å; A571-S573 VanDerWaalsContact O-N 3.13Å; S573-K577 WeakPolarHBondContact O-CG 3.03Å; S573-K577 PolarHBondContact O-N 2.94Å
574L88.1Confident88.6Confident28 Ų2835.8 Ų35.815%0.14719%0.188CC..Hα-helixtrans-75.5-42176.2-179.256.6000111I523 V534 L539 A571 A576 K577 I578I523-L574 HydrophobicContact CG2-CD2 3.69Å; I523-L574 HydrophobicContact CG2-CG 4.32Å; V534-L574 HydrophobicContact CG1-CD1 4.43Å; L539-L574 HydrophobicContact CD1-CD1 4.05Å; A571-L574 PolarHBondContact O-N 3.3Å; A571-L574 VanDerWaalsContact O-N 3.13Å; L574-A576 PolarHBondContact O-N 2.99Å; L574-K577 PolarHBondContact O-N 3Å; L574-I578 HydrophobicContact CD1-CD1 4.16Å; L574-I578 HydrophobicContact CD1-CG1 4.39Å; L574-I578 HydrophobicContact CG-CD1 3.96Å; L574-I578 VanDerWaalsContact O-CG1 3.28Å; L574-I578 WeakPolarHBondContact O-CG1 3.41Å; L574-I578 PolarHBondContact O-N 2.94Å
575M91.3Very high88.4Confident0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-63.5-39.3177.4-65.4-63.5150.100112.1F520 I523 I524 A565 A571 F572 I578 L579 F635F520-M575 HydrophobicContact CD1-CE 3.99Å; F520-M575 HydrophobicContact CD1-SD 4.32Å; F520-M575 HydrophobicContact CE1-CE 4.1Å; F520-M575 HydrophobicContact CE1-SD 3.83Å; I523-M575 HydrophobicContact CG2-CE 3.67Å; I524-M575 HydrophobicContact CD1-CE 4.12Å; A565-M575 HydrophobicContact CB-CB 4Å; A565-M575 HydrophobicContact CB-CG 4.23Å; A571-M575 WeakPolarHBondContact O-CG 3.16Å; A571-M575 PolarHBondContact O-N 3.39Å; F572-M575 PolarHBondContact O-N 3.43Å; M575-I578 PolarHBondContact O-N 3.04Å; M575-I578 HydrophobicContact SD-CD1 4.46Å; M575-L579 WeakPolarHBondContact O-CG 3.38Å; M575-L579 PolarHBondContact O-N 3.35Å; M575-L579 VanDerWaalsContact O-N 3.1Å; M575-F635 HydrophobicContact CB-CE2 3.88Å
576A90.4Very high87.9Confident0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-62.6-48.1174.900000111.5F572 L574 I578 L579 Q580 F635 L638 L639F572-A576 WeakPolarHBondContact O-CB 3.42Å; F572-A576 PolarHBondContact O-N 2.87Å; L574-A576 PolarHBondContact O-N 2.99Å; A576-I578 VanDerWaalsContact C-N 3.31Å; A576-I578 PolarHBondContact O-N 3.35Å; A576-L579 PolarHBondContact O-N 3.49Å; A576-Q580 WeakPolarHBondContact O-CG 3.3Å; A576-Q580 PolarHBondContact O-N 2.85Å; A576-F635 HydrophobicContact CB-CD2 4.08Å; A576-F635 HydrophobicContact CB-CE2 4.24Å; A576-L638 HydrophobicContact CB-CB 3.64Å; A576-L638 HydrophobicContact CB-CD1 4.01Å; A576-L638 HydrophobicContact CB-CG 4.49Å; A576-L639 HydrophobicContact CB-CD2 4.14Å; A576-L639 HydrophobicContact CB-CG 4.33Å
577K89.2Confident86.6Confident102 Ų10239 Ų3944%0.44321%0.208SC..Hα-helixtrans-61.9-35.9177.2-73.1-176.3176.9-167.30113.1L539 S573 L574 Q581L539-K577 HydrophobicContact CD1-CB 4.07Å; L539-K577 HydrophobicContact CD2-CB 4.46Å; S573-K577 WeakPolarHBondContact O-CG 3.03Å; S573-K577 PolarHBondContact O-N 2.94Å; L574-K577 PolarHBondContact O-N 3Å; K577-Q581 WeakPolarHBondContact O-CG 3.29Å; K577-Q581 PolarHBondContact O-N 2.67Å
578I90.2Very high85Confident0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-64.6-45.5174.8-70.4162.3000111I523 L539 A542 V543 V546 L574 M575 A576 Q581 L582I523-I578 HydrophobicContact CG2-CD1 4.15Å; L539-I578 HydrophobicContact CD1-CG1 3.99Å; A542-I578 HydrophobicContact CB-CD1 3.76Å; A542-I578 HydrophobicContact CB-CG1 4.17Å; V543-I578 HydrophobicContact CG2-CB 4.35Å; V543-I578 HydrophobicContact CG2-CG1 4.14Å; V543-I578 HydrophobicContact CG2-CG2 4.3Å; V546-I578 HydrophobicContact CB-CG2 3.78Å; V546-I578 HydrophobicContact CG1-CG2 3.95Å; V546-I578 HydrophobicContact CG2-CG2 3.89Å; L574-I578 HydrophobicContact CD1-CD1 4.16Å; L574-I578 HydrophobicContact CD1-CG1 4.39Å; L574-I578 HydrophobicContact CG-CD1 3.96Å; L574-I578 VanDerWaalsContact O-CG1 3.28Å; L574-I578 WeakPolarHBondContact O-CG1 3.41Å; L574-I578 PolarHBondContact O-N 2.94Å; M575-I578 PolarHBondContact O-N 3.04Å; M575-I578 HydrophobicContact SD-CD1 4.46Å; A576-I578 VanDerWaalsContact C-N 3.31Å; A576-I578 PolarHBondContact O-N 3.35Å; I578-Q581 PolarHBondContact O-N 2.96Å; I578-L582 HydrophobicContact CG2-CD1 4.09Å; I578-L582 WeakPolarHBondContact O-CG 3.47Å; I578-L582 PolarHBondContact O-N 3.2Å
579L90.5Very high82.8Confident1 Ų149.4 Ų49.41%0.00526%0.259CS..Hα-helixtrans-67.2-39.7178.2-69.5173.7000112.3C561 M575 A576 Q581 L582 L585 L611 F635 L639 F653C561-L579 HydrophobicContact CB-CD1 4.46Å; M575-L579 WeakPolarHBondContact O-CG 3.38Å; M575-L579 PolarHBondContact O-N 3.35Å; M575-L579 VanDerWaalsContact O-N 3.1Å; A576-L579 PolarHBondContact O-N 3.49Å; L579-Q581 PolarHBondContact O-N 2.86Å; L579-L582 CarbonylContact O-C 3.58Å; L579-L582 WeakPolarHBondContact O-CA 3.4Å; L579-L582 PolarHBondContact O-N 2.87Å; L579-L585 HydrophobicContact CD2-CD1 4.25Å; L579-L611 HydrophobicContact CD1-CD1 4.27Å; L579-F635 HydrophobicContact CD1-CE2 4.28Å; L579-F635 HydrophobicContact CD1-CZ 3.86Å; L579-L639 HydrophobicContact CB-CD2 3.93Å; L579-L639 HydrophobicContact CD1-CD1 4.25Å; L579-L639 HydrophobicContact CD1-CD2 4.21Å; L579-F653 HydrophobicContact CB-CD1 4.42Å; L579-F653 HydrophobicContact CB-CD2 4.14Å; L579-F653 HydrophobicContact CB-CE1 4.35Å; L579-F653 HydrophobicContact CB-CE2 4.04Å; L579-F653 HydrophobicContact CB-CG 4.34Å; L579-F653 HydrophobicContact CB-CZ 4.16Å; L579-F653 HydrophobicContact CD2-CZ 4.17Å; L579-F653 WeakPolarHBondContact O-CD2 3.42Å; L579-F653 WeakPolarHBondContact O-CE2 3.33Å
580Q88.6Confident80.4Confident40 Ų4042.9 Ų42.919%0.18725%0.252CS..Hα-helixtrans-58.5-31.1174.1-74.4172.1-40.800113.1A576 L582 L638A576-Q580 WeakPolarHBondContact O-CG 3.3Å; A576-Q580 PolarHBondContact O-N 2.85Å; Q580-L582 VanDerWaalsContact C-N 3.32Å; Q580-L638 PolarHBondContact NE2-O 3.26Å
581Q89.2Confident77.8Confident68 Ų6844.4 Ų44.432%0.31827%0.268SS..THydrogen-bonded Turntrans-83.9-4.5173.9-64.3-65.7-46.600113.5N485 V543 K577 I578 L579 P583N485-Q581 PolarHBondContact ND2-O 3.35Å; N485-Q581 VanDerWaalsContact ND2-O 3.13Å; V543-Q581 HydrophobicContact CG1-CB 4.09Å; V543-Q581 HydrophobicContact CG2-CB 3.74Å; V543-Q581 HydrophobicContact CG2-CG 4.18Å; K577-Q581 WeakPolarHBondContact O-CG 3.29Å; K577-Q581 PolarHBondContact O-N 2.67Å; I578-Q581 PolarHBondContact O-N 2.96Å; L579-Q581 PolarHBondContact O-N 2.86Å; Q581-P583 WeakPolarHBondContact O-CD 3.49Å
582L90.1Very high75Confident0 Ų053.4 Ų53.40%031%0.305CS..  trans-120.852.6179-63.5176.5000112.9L481 N485 L488 V543 V546 A547 I578 L579 Q580 G584 L585L481-L582 HydrophobicContact CD1-CD2 4.2Å; N485-L582 WeakPolarHBondContact OD1-CA 3.43Å; L488-L582 HydrophobicContact CD1-CD2 4.07Å; V543-L582 HydrophobicContact CG1-CD1 4.5Å; V543-L582 HydrophobicContact CG1-CD2 3.82Å; V543-L582 HydrophobicContact CG1-CG 4.06Å; V546-L582 HydrophobicContact CB-CD1 4.28Å; V546-L582 HydrophobicContact CG1-CD1 3.98Å; A547-L582 HydrophobicContact CB-CD1 4.21Å; A547-L582 HydrophobicContact CB-CD2 3.84Å; I578-L582 HydrophobicContact CG2-CD1 4.09Å; I578-L582 WeakPolarHBondContact O-CG 3.47Å; I578-L582 PolarHBondContact O-N 3.2Å; L579-L582 CarbonylContact O-C 3.58Å; L579-L582 WeakPolarHBondContact O-CA 3.4Å; L579-L582 PolarHBondContact O-N 2.87Å; Q580-L582 VanDerWaalsContact C-N 3.32Å; L582-G584 PolarHBondContact O-N 2.63Å; L582-L585 HydrophobicContact CB-CD1 3.97Å; L582-L585 HydrophobicContact CB-CG 4.25Å; L582-L585 HydrophobicContact CD1-CD1 4.1Å; L582-L585 WeakPolarHBondContact O-CB 3.27Å; L582-L585 PolarHBondContact O-N 3.27Å
583P87.3Confident72Confident57 Ų5759.2 Ų59.237%0.3734%0.338SS..G310 helixtrans-58.1-16.9178.926.5-36.9000114.6N485 Q581 L585 K586N485-P583 WeakPolarHBondContact OD1-CD 3.23Å; N485-P583 VanDerWaalsContact OD1-N 3.1Å; Q581-P583 WeakPolarHBondContact O-CD 3.49Å; P583-L585 PolarHBondContact O-N 2.77Å; P583-K586 HydrophobicContact CB-CD 4.23Å; P583-K586 WeakPolarHBondContact O-CB 3.4Å; P583-K586 VanDerWaalsContact O-CG 3.26Å; P583-K586 WeakPolarHBondContact O-CG 3.48Å; P583-K586 PolarHBondContact O-N 3.43Å
584G84.3Confident69.2Low6 Ų666 Ų666%0.06236%0.363CS..G310 helixtrans-63.8-10.716900000114.6N485 L488 A489 L582N485-G584 WeakPolarHBondContact O-CA 3.43Å; N485-G584 PolarHBondContact OD1-N 3.21Å; L488-G584 CarbonylContact C-O 3.39Å; A489-G584 VanDerWaalsContact CA-O 3.25Å; A489-G584 WeakPolarHBondContact CA-O 3.23Å; A489-G584 PolarHBondContact N-O 2.86Å; L582-G584 PolarHBondContact O-N 2.63Å
585L85.6Confident66.5Low2 Ų268.2 Ų68.21%0.0139%0.393CS..G310 helixtrans-91.1-0.8170.6-60.8179000113.5L488 A550 P554 I558 L579 L582 P583 A587 F653L488-L585 HydrophobicContact CB-CD2 4.2Å; L488-L585 HydrophobicContact CD1-CD2 4.16Å; L488-L585 HydrophobicContact CD1-CG 4.23Å; L488-L585 HydrophobicContact CD2-CD2 4.14Å; L488-L585 HydrophobicContact CG-CD2 4.39Å; A550-L585 HydrophobicContact CB-CD1 4.11Å; A550-L585 HydrophobicContact CB-CD2 3.94Å; P554-L585 HydrophobicContact CB-CD2 4.49Å; I558-L585 HydrophobicContact CD1-CB 4.39Å; L579-L585 HydrophobicContact CD2-CD1 4.25Å; L582-L585 HydrophobicContact CB-CD1 3.97Å; L582-L585 HydrophobicContact CB-CG 4.25Å; L582-L585 HydrophobicContact CD1-CD1 4.1Å; L582-L585 WeakPolarHBondContact O-CB 3.27Å; L582-L585 PolarHBondContact O-N 3.27Å; P583-L585 PolarHBondContact O-N 2.77Å; L585-A587 PolarHBondContact O-N 3.32Å; L585-F653 HydrophobicContact CB-CE2 4.37Å; L585-F653 HydrophobicContact CB-CZ 4.06Å
586K81.4Confident63.5Low39 Ų3977.2 Ų77.217%0.1744%0.435CS..SBendtrans-62.9126.5166.1-70.5173.8167.2-175.70108.8P583 Q588 E651 S652 F653P583-K586 HydrophobicContact CB-CD 4.23Å; P583-K586 WeakPolarHBondContact O-CB 3.4Å; P583-K586 VanDerWaalsContact O-CG 3.26Å; P583-K586 WeakPolarHBondContact O-CG 3.48Å; P583-K586 PolarHBondContact O-N 3.43Å; K586-Q588 PolarHBondContact O-N 3.09Å; K586-E651 PolarHBondContact NZ-O 3.04Å; K586-E651 IonicContact NZ-OE2 2.62Å; K586-E651 PolarHBondContact NZ-OE2 3.24Å; K586-S652 WeakPolarHBondContact CE-O 3.41Å; K586-S652 PolarHBondContact NZ-O 3.07Å; K586-F653 HydrophobicContact CG-CD2 4.32Å; K586-F653 HydrophobicContact CG-CE2 4.25Å
587A63.1Low60.6Low33 Ų3383 Ų8327%0.27347%0.472SS..  trans-71.293.9170.700000109.5L585 L589 L610L585-A587 PolarHBondContact O-N 3.32Å; A587-L589 PolarHBondContact O-N 2.98Å; A587-L610 HydrophobicContact CB-CB 4.36Å
588Q54.7Low58Low163 Ų16388 Ų8876%0.76249%0.494SS*.PPolyproline II helixtrans-58.3128173.5-70.7-174.2-12.100109.7K586 G590K586-Q588 PolarHBondContact O-N 3.09Å; Q588-G590 PolarHBondContact O-N 2.87Å
589L42.3Very low55.1Low150 Ų15095.1 Ų95.179%0.78553%0.532SS*.PPolyproline II helixtrans-58.2124.9166.3-11674.3000107.8A587 G591A587-L589 PolarHBondContact O-N 2.98Å; L589-G591 PolarHBondContact O-N 2.94Å
590G35.3Very low52.1Low75 Ų75101.6 Ų101.677%0.77357%0.567SS**PPolyproline II helixtrans-53.4123.8-168.200000112.9Q588Q588-G590 PolarHBondContact O-N 2.87Å
591G27.5Very low49.3Very low67 Ų67109.9 Ų109.969%0.69160%0.603SS**PPolyproline II helixtrans-55.9146.7169.600000110.9L589 N593L589-G591 PolarHBondContact O-N 2.94Å; G591-N593 PolarHBondContact O-N 3.37Å
592K28.3Very low46.5Very low200 Ų200112 Ų11287%0.8762%0.62SS**  trans-6586.4-173-65.8179.6178.6-179.90112.9
593N24.8Very low43.5Very low161 Ų161117.5 Ų117.586%0.86165%0.649SS**  trans-101.595.3158.9-77.8-4.6000108.5G591 G595G591-N593 PolarHBondContact O-N 3.37Å; N593-G595 PolarHBondContact O-N 3.31Å
594E32.3Very low40.6Very low194 Ų194120.1 Ų120.191%0.90768%0.675SS**  trans-76.1110.7169.8-62.4-176.2152.800108.7
595G31.1Very low38.2Very low75 Ų75122.8 Ų122.877%0.77370%0.697SS**  trans162.523.2176.500000121.6N593N593-G595 PolarHBondContact O-N 3.31Å
596E28.5Very low35.8Very low189 Ų189128.1 Ų128.188%0.88374%0.735SS**SBendtrans-130.8151.6166.4-80.1-156.7150.700112.6
597P28.9Very low34Very low120 Ų120129.7 Ų129.778%0.77976%0.762SS**  trans-80.1150.6-16130.5-35.8000115D599P597-D599 PolarHBondContact O-N 2.9Å
598K34Very low33.6Very low208 Ų208134 Ų13490%0.90477%0.771SS**  trans-86.975.7-178.7-67.4178.1177.8172.90113
599D29.1Very low34.6Very low149 Ų149126.9 Ų126.980%0.79774%0.738SS**  trans-133.779.1167.3-89.3-50.6000112.6P597P597-D599 PolarHBondContact O-N 2.9Å
600D27.6Very low36.6Very low138 Ų138120.1 Ų120.174%0.73870%0.703SS**  trans-16098.4143.6-134.6-14.3000112.3V602D600-V602 PolarHBondContact O-N 3.27Å
601K31Very low39.2Very low214 Ų214116.6 Ų116.693%0.9367%0.666SS**THydrogen-bonded Turntrans-82.355.4-175.3-74.2-174.5179.1173.10113.4
602V29.8Very low42Very low113 Ų113113.4 Ų113.469%0.68563%0.633SS**THydrogen-bonded Turntrans-129.7-41.5176.2-174.20000113.2D600 A604D600-V602 PolarHBondContact O-N 3.27Å; V602-A604 PolarHBondContact O-N 3.47Å
603N27.3Very low44.8Very low115 Ų115108.4 Ų108.462%0.61561%0.609SS**  trans-104.268.9-163.3-74.4-52.4000115.3A605 S606N603-A605 PolarHBondContact O-N 2.92Å; N603-S606 PolarHBondContact O-N 3.14Å
604A26.5Very low47.8Very low111 Ų111100.7 Ų100.792%0.91757%0.568SS**THydrogen-bonded Turntrans-62.8-3.8165.900000114.1V602 S606V602-A604 PolarHBondContact O-N 3.47Å; A604-S606 VanDerWaalsContact C-N 3.3Å; A604-S606 PolarHBondContact O-N 2.93Å
605A32.3Very low50.5Low62 Ų6291.5 Ų91.551%0.51253%0.525SS..THydrogen-bonded Turntrans-80.5-0.2176.900000114.7N603 G607 R608N603-A605 PolarHBondContact O-N 2.92Å; A605-G607 PolarHBondContact O-N 3.37Å; A605-R608 PolarHBondContact O-N 3.12Å
606S35.2Very low53.2Low115 Ų11589 Ų8980%0.80449%0.493SS*.THydrogen-bonded Turntrans-68.75-169.5-162.30000116.5N603 A604N603-S606 PolarHBondContact O-N 3.14Å; A604-S606 VanDerWaalsContact C-N 3.3Å; A604-S606 PolarHBondContact O-N 2.93Å
607G43.6Very low55.9Low71 Ų7183 Ų8373%0.73247%0.467SS*.THydrogen-bonded Turntrans-108.212.3179.700000115.6A605A605-G607 PolarHBondContact O-N 3.37Å
608R55.5Low58.6Low123 Ų12377.9 Ų77.946%0.46443%0.434SS..SBendtrans-97.3131.5-179.2-64.8-173.3-177.5-179.32.7112.1A605A605-R608 PolarHBondContact O-N 3.12Å
609N76.5Confident61Low14 Ų1470 Ų708%0.07540%0.4CS..  trans-51.1136.2171.5-178.9-19.7000111.2L611 C612 R613 E658N609-L611 VanDerWaalsContact C-N 3.28Å; N609-L611 PolarHBondContact O-N 3.45Å; N609-L611 PolarHBondContact OD1-N 3.45Å; N609-C612 HydrophobicContact CB-CB 4.3Å; N609-C612 WeakPolarHBondContact O-CB 3.06Å; N609-C612 PolarHBondContact O-N 3.5Å; N609-C612 VanDerWaalsContact O-N 3.1Å; N609-R613 PolarHBondContact O-N 2.85Å; N609-E658 VanDerWaalsContact CB-OE2 3.28Å; N609-E658 WeakPolarHBondContact CB-OE2 3.38Å; N609-E658 PolarHBondContact ND2-OE2 2.9Å
610L84Confident63.5Low8 Ų871.9 Ų71.94%0.04240%0.396CS..Hα-helixtrans-56.8-39.8-178.3-178.758.6000112.2L492 P554 E555 I558 A587 R613 C614L492-L610 HydrophobicContact CD1-CD2 3.6Å; P554-L610 HydrophobicContact CB-CD2 4.43Å; E555-L610 HydrophobicContact CB-CD1 4.23Å; E555-L610 HydrophobicContact CG-CD1 4.19Å; I558-L610 HydrophobicContact CD1-CD2 3.74Å; I558-L610 HydrophobicContact CD1-CG 4.06Å; A587-L610 HydrophobicContact CB-CB 4.36Å; L610-R613 PolarHBondContact O-N 2.75Å; L610-C614 WeakPolarHBondContact O-CB 3.49Å; L610-C614 PolarHBondContact O-N 3.39Å; L610-C614 PolarHBondContact O-SG 3.38Å
611L88.8Confident65.7Low1 Ų169.7 Ų69.71%0.00539%0.392CS..Hα-helixtrans-58.8-50.4175.417769.1000110.9I558 L579 N609 R613 C614 L615 L639 F653 L654I558-L611 HydrophobicContact CG2-CD1 3.85Å; L579-L611 HydrophobicContact CD1-CD1 4.27Å; N609-L611 VanDerWaalsContact C-N 3.28Å; N609-L611 PolarHBondContact O-N 3.45Å; N609-L611 PolarHBondContact OD1-N 3.45Å; L611-R613 VanDerWaalsContact C-N 3.31Å; L611-R613 PolarHBondContact O-N 2.85Å; L611-C614 PolarHBondContact O-N 3Å; L611-L615 VanDerWaalsContact O-CB 3.24Å; L611-L615 WeakPolarHBondContact O-CB 3.21Å; L611-L615 PolarHBondContact O-N 3.4Å; L611-L639 HydrophobicContact CD2-CD1 3.71Å; L611-F653 HydrophobicContact CB-CE1 4.49Å; L611-F653 HydrophobicContact CD2-CD1 3.92Å; L611-F653 HydrophobicContact CD2-CE1 3.8Å; L611-L654 HydrophobicContact CD2-CD1 4.38Å; L611-L654 HydrophobicContact CD2-CD2 4.04Å
612C87.5Confident67.8Low0 Ų064.4 Ų64.40%037%0.369CS..Hα-helixtrans-58.6-41178.6-82.50000112.2N609 Q616 T662N609-C612 HydrophobicContact CB-CB 4.3Å; N609-C612 WeakPolarHBondContact O-CB 3.06Å; N609-C612 PolarHBondContact O-N 3.5Å; N609-C612 VanDerWaalsContact O-N 3.1Å; C612-Q616 WeakPolarHBondContact O-CB 3.44Å; C612-Q616 WeakPolarHBondContact O-CG 3.32Å; C612-Q616 PolarHBondContact O-N 3.27Å; C612-T662 HydrophobicContact CB-CG2 3.78Å
613R87.1Confident70.1Confident95 Ų9564.4 Ų64.436%0.35837%0.374SS..Hα-helixtrans-62.9-52.1174.3-175.4173.680.3-160.29.3111.9S496 E555 N609 L610 L611 L615 Q616 D617S496-R613 PolarHBondContact OG-NH2 2.96Å; E555-R613 IonicContact OE2-CZ 2.7Å; E555-R613 IonicContact OE2-NH2 3.75Å; E555-R613 PolarHBondContact OE2-NH2 2.92Å; N609-R613 PolarHBondContact O-N 2.85Å; L610-R613 PolarHBondContact O-N 2.75Å; L611-R613 VanDerWaalsContact C-N 3.31Å; L611-R613 PolarHBondContact O-N 2.85Å; R613-L615 VanDerWaalsContact C-N 3.25Å; R613-L615 PolarHBondContact O-N 3.12Å; R613-Q616 PolarHBondContact O-N 3.16Å; R613-D617 PolarHBondContact O-N 3.32Å
614C88.4Confident72.8Confident0 Ų060.3 Ų60.30%035%0.351CS..Hα-helixtrans-60.2-35.9-179.8-67.80000112.8I558 K559 L610 L611 T618I558-C614 HydrophobicContact CG2-CB 3.74Å; K559-C614 HydrophobicContact CG-CB 3.6Å; L610-C614 WeakPolarHBondContact O-CB 3.49Å; L610-C614 PolarHBondContact O-N 3.39Å; L610-C614 PolarHBondContact O-SG 3.38Å; L611-C614 PolarHBondContact O-N 3Å; C614-T618 WeakPolarHBondContact O-CB 3.42Å; C614-T618 PolarHBondContact O-N 2.71Å; C614-T618 PolarHBondContact O-OG1 3.26Å
615L88.6Confident75.7Confident0 Ų057.4 Ų57.40%033%0.325CS..Hα-helixtrans-75.7-40178.5-166.859000111.6C562 V566 L611 R613 T618 I619 L632 F635 L636 F663C562-L615 HydrophobicContact CB-CD1 3.75Å; V566-L615 HydrophobicContact CG2-CD1 3.99Å; L611-L615 VanDerWaalsContact O-CB 3.24Å; L611-L615 WeakPolarHBondContact O-CB 3.21Å; L611-L615 PolarHBondContact O-N 3.4Å; R613-L615 VanDerWaalsContact C-N 3.25Å; R613-L615 PolarHBondContact O-N 3.12Å; L615-T618 PolarHBondContact O-N 2.65Å; L615-I619 HydrophobicContact CD1-CD1 4.46Å; L615-I619 HydrophobicContact CG-CD1 4.07Å; L615-I619 WeakPolarHBondContact O-CD1 3.41Å; L615-I619 VanDerWaalsContact O-CG1 3.24Å; L615-I619 WeakPolarHBondContact O-CG1 3.45Å; L615-I619 PolarHBondContact O-N 3.06Å; L615-L632 HydrophobicContact CD1-CD1 3.83Å; L615-L632 HydrophobicContact CD2-CD1 3.81Å; L615-L632 HydrophobicContact CG-CD1 4.02Å; L615-F635 HydrophobicContact CD1-CE1 4.46Å; L615-F635 HydrophobicContact CD2-CE1 4.49Å; L615-L636 HydrophobicContact CD2-CD1 4.4Å; L615-L636 HydrophobicContact CD2-CD2 3.74Å; L615-L636 HydrophobicContact CD2-CG 4.26Å; L615-F663 HydrophobicContact CB-CZ 4.09Å; L615-F663 HydrophobicContact CD2-CE2 4.33Å; L615-F663 HydrophobicContact CD2-CZ 3.88Å; L615-F663 HydrophobicContact CG-CE1 4.47Å; L615-F663 HydrophobicContact CG-CZ 4.04Å
616Q86.8Confident78.2Confident23 Ų2358.3 Ų58.311%0.10733%0.332CS..Hα-helixtrans-58.5-44.8168.6-80.1-171.2-25.300112C612 R613 T618 I619 R620 T662 F663C612-Q616 WeakPolarHBondContact O-CB 3.44Å; C612-Q616 WeakPolarHBondContact O-CG 3.32Å; C612-Q616 PolarHBondContact O-N 3.27Å; R613-Q616 PolarHBondContact O-N 3.16Å; Q616-T618 VanDerWaalsContact C-N 3.33Å; Q616-T618 PolarHBondContact O-N 3.12Å; Q616-I619 PolarHBondContact O-N 3.09Å; Q616-R620 WeakPolarHBondContact O-CB 3.37Å; Q616-R620 WeakPolarHBondContact O-CD 3.28Å; Q616-R620 WeakPolarHBondContact O-CG 3.31Å; Q616-R620 PolarHBondContact O-N 3.19Å; Q616-T662 HydrophobicContact CG-CG2 3.75Å; Q616-T662 VanDerWaalsContact NE2-CG2 3.25Å; Q616-T662 PolarHBondContact NE2-O 3.42Å; Q616-F663 HydrophobicContact CG-CD1 4.37Å; Q616-F663 HydrophobicContact CG-CE1 3.66Å; Q616-F663 HydrophobicContact CG-CZ 4.2Å
617D85.6Confident80.6Confident63 Ų6356.8 Ų56.834%0.33732%0.321SS..Hα-helixtrans-60.1-43.1176.1-70.5-13.5000111.5K559 R613 R620 S621K559-D617 WeakPolarHBondContact CE-OD2 3.49Å; K559-D617 IonicContact NZ-OD2 3.94Å; K559-D617 PolarHBondContact NZ-OD2 2.93Å; R613-D617 PolarHBondContact O-N 3.32Å; D617-R620 PolarHBondContact O-N 3.29Å; D617-S621 PolarHBondContact O-N 3.03Å
618T85.6Confident82.8Confident13 Ų1354.4 Ų54.48%0.0829%0.291CS..Hα-helixtrans-64.9-43.6179.8-60.60000112C562 H563 F567 C614 L615 Q616 S621C562-T618 HydrophobicContact CB-CG2 4.41Å; H563-T618 HydrophobicContact CB-CG2 4.32Å; F567-T618 HydrophobicContact CD2-CG2 4.44Å; F567-T618 HydrophobicContact CE2-CG2 3.68Å; F567-T618 HydrophobicContact CZ-CG2 4.34Å; C614-T618 WeakPolarHBondContact O-CB 3.42Å; C614-T618 PolarHBondContact O-N 2.71Å; C614-T618 PolarHBondContact O-OG1 3.26Å; L615-T618 PolarHBondContact O-N 2.65Å; Q616-T618 VanDerWaalsContact C-N 3.33Å; Q616-T618 PolarHBondContact O-N 3.12Å; T618-S621 PolarHBondContact O-N 2.9Å; T618-S621 PolarHBondContact O-OG 3.44Å
619I84.7Confident84.4Confident41 Ų4151.3 Ų51.321%0.2128%0.281CS..Hα-helixtrans-71.3-33.7-180-63.5158.3000110.8L615 Q616 S621 M624 L632 F663L615-I619 HydrophobicContact CD1-CD1 4.46Å; L615-I619 HydrophobicContact CG-CD1 4.07Å; L615-I619 WeakPolarHBondContact O-CD1 3.41Å; L615-I619 VanDerWaalsContact O-CG1 3.24Å; L615-I619 WeakPolarHBondContact O-CG1 3.45Å; L615-I619 PolarHBondContact O-N 3.06Å; Q616-I619 PolarHBondContact O-N 3.09Å; I619-S621 VanDerWaalsContact C-N 3.27Å; I619-S621 PolarHBondContact O-N 3.46Å; I619-M624 HydrophobicContact CG1-SD 4.1Å; I619-M624 HydrophobicContact CG2-CE 4.24Å; I619-M624 HydrophobicContact CG2-CG 4.48Å; I619-M624 HydrophobicContact CG2-SD 4.19Å; I619-L632 HydrophobicContact CD1-CD1 4.31Å; I619-L632 HydrophobicContact CD1-CD2 3.42Å; I619-L632 VanDerWaalsContact CD1-CD2 3.42Å; I619-L632 HydrophobicContact CG1-CD2 4.08Å; I619-F663 HydrophobicContact CD1-CD1 4.41Å; I619-F663 HydrophobicContact CD1-CE1 3.93Å
620R80.9Confident85Confident189 Ų18955.6 Ų55.671%0.71330%0.301SS*.Hα-helixtrans-68.7-20178.7-77.8169.6169-171.8-7.7114.2Q616 D617Q616-R620 WeakPolarHBondContact O-CB 3.37Å; Q616-R620 WeakPolarHBondContact O-CD 3.28Å; Q616-R620 WeakPolarHBondContact O-CG 3.31Å; Q616-R620 PolarHBondContact O-N 3.19Å; D617-R620 PolarHBondContact O-N 3.29Å
621S73.5Confident85.4Confident92 Ų9256.2 Ų56.264%0.64330%0.303SS*.THydrogen-bonded Turntrans-76.9-19.5-177.866.50000114.4D617 T618 I619D617-S621 PolarHBondContact O-N 3.03Å; T618-S621 PolarHBondContact O-N 2.9Å; T618-S621 PolarHBondContact O-OG 3.44Å; I619-S621 VanDerWaalsContact C-N 3.27Å; I619-S621 PolarHBondContact O-N 3.46Å
622K76.6Confident85.6Confident104 Ų10456.2 Ų56.245%0.45230%0.303SS..SBendtrans-156.5135.6-172.6-174-157.7169-172.50110.9F567 M624 E628F567-K622 HydrophobicContact CD1-CD 4.47Å; F567-K622 HydrophobicContact CE1-CD 3.86Å; F567-K622 HydrophobicContact CZ-CB 4.35Å; F567-K622 HydrophobicContact CZ-CD 4.21Å; K622-M624 PolarHBondContact O-N 2.8Å; K622-E628 IonicContact NZ-OE1 2.76Å; K622-E628 PolarHBondContact NZ-OE1 2.92Å; K622-E628 IonicContact NZ-OE2 3.21Å
623S77.8Confident85.8Confident112 Ų11257.7 Ų57.778%0.78331%0.311SS*.PPolyproline II helixtrans-62.4131.2168.646.50000111.3
624M83Confident85.9Confident29 Ų2957.5 Ų57.514%0.14331%0.313CS..PPolyproline II helixtrans-91.7134.8-176.2-59-160.2-53.400112.4V566 I619 K622 E628 K629 L632 F680V566-M624 HydrophobicContact CG1-SD 3.62Å; I619-M624 HydrophobicContact CG1-SD 4.1Å; I619-M624 HydrophobicContact CG2-CE 4.24Å; I619-M624 HydrophobicContact CG2-CG 4.48Å; I619-M624 HydrophobicContact CG2-SD 4.19Å; K622-M624 PolarHBondContact O-N 2.8Å; M624-E628 HydrophobicContact CB-CB 4.08Å; M624-E628 HydrophobicContact CG-CB 4.5Å; M624-E628 HydrophobicContact SD-CB 4.48Å; M624-K629 HydrophobicContact CB-CG 4.11Å; M624-K629 HydrophobicContact CE-CB 4.49Å; M624-K629 HydrophobicContact CE-CG 3.78Å; M624-K629 WeakPolarHBondContact O-CE 3.35Å; M624-L632 HydrophobicContact CE-CD2 3.64Å; M624-L632 HydrophobicContact SD-CD2 4.29Å; M624-F680 HydrophobicContact CE-CE1 4.37Å
625S87.1Confident86.1Confident51 Ų5157.5 Ų57.536%0.35731%0.313SS..PPolyproline II helixtrans-69.7164.7166.567.60000112.1S627 E628 K629S625-S627 PolarHBondContact O-N 3.43Å; S625-S627 PolarHBondContact OG-OG 2.98Å; S625-S627 VanDerWaalsContact OG-OG 3.04Å; S625-E628 WeakPolarHBondContact CB-OE2 3.39Å; S625-E628 PolarHBondContact N-OE2 3.01Å; S625-E628 PolarHBondContact O-N 3.16Å; S625-E628 VanDerWaalsContact O-N 3.16Å; S625-E628 VanDerWaalsContact OG-CD 3.3Å; S625-E628 WeakPolarHBondContact OG-CG 3.24Å; S625-E628 PolarHBondContact OG-N 3.08Å; S625-E628 PolarHBondContact OG-OE2 3.16Å; S625-K629 WeakPolarHBondContact O-CG 3.39Å; S625-K629 PolarHBondContact O-N 2.77Å
626A84.8Confident86.3Confident81 Ų8157.5 Ų57.567%0.66931%0.313SS*.Hα-helixtrans-56.2-33.917600000113.2Q630A626-Q630 PolarHBondContact O-N 3.02Å
627S87.3Confident86.5Confident82 Ų8257.2 Ų57.257%0.57332%0.316SS*.Hα-helixtrans-68.6-45.917666.20000112.5S625 K629 Q630 Q631S625-S627 PolarHBondContact O-N 3.43Å; S625-S627 PolarHBondContact OG-OG 2.98Å; S625-S627 VanDerWaalsContact OG-OG 3.04Å; S627-K629 VanDerWaalsContact C-N 3.35Å; S627-K629 PolarHBondContact O-N 3.35Å; S627-Q630 PolarHBondContact O-N 3.1Å; S627-Q630 VanDerWaalsContact O-N 3.16Å; S627-Q631 VanDerWaalsContact O-CG 3.23Å; S627-Q631 WeakPolarHBondContact O-CG 3.12Å; S627-Q631 PolarHBondContact O-N 3.15Å
628E89.8Confident86.7Confident22 Ų2257 Ų5710%0.10332%0.315CS..Hα-helixtrans-64.4-38.6177.9-68.6157.1137.900111.3V566 F567 K622 M624 S625 Q631 L632V566-E628 HydrophobicContact CG1-CB 4.24Å; F567-E628 HydrophobicContact CD1-CG 4.08Å; F567-E628 VanDerWaalsContact CD1-OE1 3.23Å; F567-E628 WeakPolarHBondContact CD1-OE1 3.24Å; K622-E628 IonicContact NZ-OE1 2.76Å; K622-E628 PolarHBondContact NZ-OE1 2.92Å; K622-E628 IonicContact NZ-OE2 3.21Å; M624-E628 HydrophobicContact CB-CB 4.08Å; M624-E628 HydrophobicContact CG-CB 4.5Å; M624-E628 HydrophobicContact SD-CB 4.48Å; S625-E628 WeakPolarHBondContact CB-OE2 3.39Å; S625-E628 PolarHBondContact N-OE2 3.01Å; S625-E628 PolarHBondContact O-N 3.16Å; S625-E628 VanDerWaalsContact O-N 3.16Å; S625-E628 VanDerWaalsContact OG-CD 3.3Å; S625-E628 WeakPolarHBondContact OG-CG 3.24Å; S625-E628 PolarHBondContact OG-N 3.08Å; S625-E628 PolarHBondContact OG-OE2 3.16Å; E628-Q631 PolarHBondContact O-N 2.7Å; E628-L632 PolarHBondContact O-N 3.27Å
629K88.3Confident86.9Confident58 Ų5856.4 Ų56.425%0.25231%0.311SS..Hα-helixtrans-56.3-51.2168.7-70.9172.3-171.5178.10111.6M624 S625 S627 Q631 L632 L633 D677 F680M624-K629 HydrophobicContact CB-CG 4.11Å; M624-K629 HydrophobicContact CE-CB 4.49Å; M624-K629 HydrophobicContact CE-CG 3.78Å; M624-K629 WeakPolarHBondContact O-CE 3.35Å; S625-K629 WeakPolarHBondContact O-CG 3.39Å; S625-K629 PolarHBondContact O-N 2.77Å; S627-K629 VanDerWaalsContact C-N 3.35Å; S627-K629 PolarHBondContact O-N 3.35Å; K629-Q631 VanDerWaalsContact C-N 3.28Å; K629-Q631 PolarHBondContact O-N 3.17Å; K629-L632 WeakPolarHBondContact O-CB 2.94Å; K629-L632 PolarHBondContact O-N 3.46Å; K629-L632 VanDerWaalsContact O-N 3.13Å; K629-L633 PolarHBondContact O-N 3.09Å; K629-D677 WeakPolarHBondContact CD-OD2 3.18Å; K629-D677 WeakPolarHBondContact CE-OD2 3.21Å; K629-D677 IonicContact NZ-OD2 2.7Å; K629-D677 PolarHBondContact NZ-OD2 3.31Å; K629-F680 HydrophobicContact CB-CD2 3.83Å; K629-F680 HydrophobicContact CB-CE2 3.83Å; K629-F680 HydrophobicContact CB-CG 4.47Å; K629-F680 HydrophobicContact CB-CZ 4.47Å; K629-F680 HydrophobicContact CG-CD2 4.25Å; K629-F680 HydrophobicContact CG-CE2 4.45Å; K629-F680 HydrophobicContact CG-CG 4.41Å; K629-F680 VanDerWaalsContact O-CE2 3.22Å; K629-F680 WeakPolarHBondContact O-CE2 3.36Å
630Q89.9Confident87.1Confident104 Ų10454.6 Ų54.649%0.48630%0.302SS..Hα-helixtrans-65-30.5179.9-154.3-164.562.700112.7A626 S627 K634A626-Q630 PolarHBondContact O-N 3.02Å; S627-Q630 PolarHBondContact O-N 3.1Å; S627-Q630 VanDerWaalsContact O-N 3.16Å; Q630-K634 VanDerWaalsContact CD-NZ 3.32Å; Q630-K634 HydrophobicContact CG-CD 4.43Å; Q630-K634 WeakPolarHBondContact O-CB 3.5Å; Q630-K634 VanDerWaalsContact O-CG 3.31Å; Q630-K634 WeakPolarHBondContact O-CG 3.35Å; Q630-K634 PolarHBondContact O-N 3.31Å
631Q91.9Very high87.2Confident21 Ų2148.3 Ų48.310%0.09829%0.285CS..Hα-helixtrans-67.7-43.8171.6-56.7-144.611500111.6V566 N568 F572 S627 E628 K629 K634 F635V566-Q631 PolarHBondContact O-NE2 2.7Å; N568-Q631 PolarHBondContact O-NE2 3.03Å; N568-Q631 PolarHBondContact O-OE1 3.19Å; F572-Q631 HydrophobicContact CD1-CB 4.2Å; F572-Q631 HydrophobicContact CD1-CG 4.29Å; S627-Q631 VanDerWaalsContact O-CG 3.23Å; S627-Q631 WeakPolarHBondContact O-CG 3.12Å; S627-Q631 PolarHBondContact O-N 3.15Å; E628-Q631 PolarHBondContact O-N 2.7Å; K629-Q631 VanDerWaalsContact C-N 3.28Å; K629-Q631 PolarHBondContact O-N 3.17Å; Q631-K634 PolarHBondContact O-N 3.12Å; Q631-F635 VanDerWaalsContact O-CB 3.3Å; Q631-F635 WeakPolarHBondContact O-CB 3.39Å; Q631-F635 PolarHBondContact O-N 3.3Å
632L91.9Very high86.9Confident1 Ų146.7 Ų46.71%0.00527%0.273CS..Hα-helixtrans-61-43.8176.6177.361.3000112.1V566 L615 I619 M624 E628 K629 F635 L636 F680V566-L632 HydrophobicContact CG2-CB 4.3Å; V566-L632 HydrophobicContact CG2-CD1 3.98Å; L615-L632 HydrophobicContact CD1-CD1 3.83Å; L615-L632 HydrophobicContact CD2-CD1 3.81Å; L615-L632 HydrophobicContact CG-CD1 4.02Å; I619-L632 HydrophobicContact CD1-CD1 4.31Å; I619-L632 HydrophobicContact CD1-CD2 3.42Å; I619-L632 VanDerWaalsContact CD1-CD2 3.42Å; I619-L632 HydrophobicContact CG1-CD2 4.08Å; M624-L632 HydrophobicContact CE-CD2 3.64Å; M624-L632 HydrophobicContact SD-CD2 4.29Å; E628-L632 PolarHBondContact O-N 3.27Å; K629-L632 WeakPolarHBondContact O-CB 2.94Å; K629-L632 PolarHBondContact O-N 3.46Å; K629-L632 VanDerWaalsContact O-N 3.13Å; L632-F635 PolarHBondContact O-N 3.24Å; L632-L636 HydrophobicContact CD1-CD1 3.8Å; L632-L636 HydrophobicContact CD1-CG 4.1Å; L632-L636 HydrophobicContact CG-CD1 4.05Å; L632-L636 PolarHBondContact O-N 3.42Å; L632-F680 HydrophobicContact CB-CZ 4.13Å; L632-F680 HydrophobicContact CD2-CE1 3.84Å; L632-F680 HydrophobicContact CD2-CZ 3.66Å; L632-F680 HydrophobicContact CG-CZ 3.95Å
633L91.5Very high85.9Confident31 Ų3143.9 Ų43.916%0.16226%0.263CS..Hα-helixtrans-57.5-49.7175.2-178.662.3000111.5K629 L636 G637 F680 Q683 L684 A687K629-L633 PolarHBondContact O-N 3.09Å; L633-L636 PolarHBondContact O-N 3.35Å; L633-G637 PolarHBondContact O-N 2.89Å; L633-F680 HydrophobicContact CB-CE2 4.09Å; L633-Q683 HydrophobicContact CD1-CB 4.32Å; L633-Q683 HydrophobicContact CD2-CB 4.03Å; L633-L684 HydrophobicContact CD1-CD2 3.83Å; L633-L684 HydrophobicContact CD1-CG 4.26Å; L633-A687 HydrophobicContact CD1-CB 3.74Å
634K91.3Very high84.5Confident90 Ų9044.9 Ų44.939%0.39126%0.264SS..Hα-helixtrans-67.8-33.9179.2-70.3169.7176.9172.60112.6F572 Q630 Q631 L638F572-K634 HydrophobicContact CD2-CB 3.68Å; F572-K634 HydrophobicContact CE2-CB 3.55Å; F572-K634 HydrophobicContact CE2-CD 4.15Å; F572-K634 HydrophobicContact CE2-CG 4.39Å; F572-K634 HydrophobicContact CG-CB 4.43Å; F572-K634 HydrophobicContact CZ-CB 4.17Å; F572-K634 HydrophobicContact CZ-CD 3.97Å; Q630-K634 VanDerWaalsContact CD-NZ 3.32Å; Q630-K634 HydrophobicContact CG-CD 4.43Å; Q630-K634 WeakPolarHBondContact O-CB 3.5Å; Q630-K634 VanDerWaalsContact O-CG 3.31Å; Q630-K634 WeakPolarHBondContact O-CG 3.35Å; Q630-K634 PolarHBondContact O-N 3.31Å; Q631-K634 PolarHBondContact O-N 3.12Å; K634-L638 VanDerWaalsContact O-CG 3.31Å; K634-L638 WeakPolarHBondContact O-CG 3.15Å; K634-L638 PolarHBondContact O-N 2.89Å
635F92.4Very high82.7Confident0 Ų050.2 Ų50.20%029%0.291CS..Hα-helixtrans-63.6-50.9174-176.8-128.2000111.5A565 F572 M575 A576 L579 L615 Q631 L632 L638 L639A565-F635 HydrophobicContact CB-CB 4.46Å; A565-F635 HydrophobicContact CB-CD1 3.84Å; A565-F635 HydrophobicContact CB-CD2 3.57Å; A565-F635 HydrophobicContact CB-CE1 3.84Å; A565-F635 HydrophobicContact CB-CE2 3.57Å; A565-F635 HydrophobicContact CB-CG 3.7Å; A565-F635 HydrophobicContact CB-CZ 3.7Å; F572-F635 HydrophobicContact CB-CB 3.95Å; F572-F635 HydrophobicContact CB-CD2 4.34Å; M575-F635 HydrophobicContact CB-CE2 3.88Å; A576-F635 HydrophobicContact CB-CD2 4.08Å; A576-F635 HydrophobicContact CB-CE2 4.24Å; L579-F635 HydrophobicContact CD1-CE2 4.28Å; L579-F635 HydrophobicContact CD1-CZ 3.86Å; L615-F635 HydrophobicContact CD1-CE1 4.46Å; L615-F635 HydrophobicContact CD2-CE1 4.49Å; Q631-F635 VanDerWaalsContact O-CB 3.3Å; Q631-F635 WeakPolarHBondContact O-CB 3.39Å; Q631-F635 PolarHBondContact O-N 3.3Å; L632-F635 PolarHBondContact O-N 3.24Å; F635-L638 PolarHBondContact O-N 2.94Å; F635-L639 HydrophobicContact CD1-CD1 4.24Å; F635-L639 HydrophobicContact CD2-CD1 4.25Å; F635-L639 HydrophobicContact CE1-CD1 3.86Å; F635-L639 HydrophobicContact CE2-CD1 3.86Å; F635-L639 HydrophobicContact CE2-CG 4.42Å; F635-L639 HydrophobicContact CG-CD1 4.44Å; F635-L639 HydrophobicContact CZ-CD1 3.66Å; F635-L639 WeakPolarHBondContact O-CG 3.49Å; F635-L639 PolarHBondContact O-N 3.36Å
636L91.9Very high80.6Confident0 Ų053.8 Ų53.80%031%0.305CS..Hα-helixtrans-66.2-41.8-180-73.4170.6000111.9L615 L632 L633 L638 L639 M640 L654 V659 F663 L684L615-L636 HydrophobicContact CD2-CD1 4.4Å; L615-L636 HydrophobicContact CD2-CD2 3.74Å; L615-L636 HydrophobicContact CD2-CG 4.26Å; L632-L636 HydrophobicContact CD1-CD1 3.8Å; L632-L636 HydrophobicContact CD1-CG 4.1Å; L632-L636 HydrophobicContact CG-CD1 4.05Å; L632-L636 PolarHBondContact O-N 3.42Å; L633-L636 PolarHBondContact O-N 3.35Å; L636-L638 VanDerWaalsContact C-N 3.34Å; L636-L638 PolarHBondContact O-N 2.97Å; L636-L639 PolarHBondContact O-N 3.45Å; L636-L639 VanDerWaalsContact O-N 3.09Å; L636-M640 WeakPolarHBondContact O-CG 3.44Å; L636-M640 PolarHBondContact O-N 3.06Å; L636-L654 HydrophobicContact CD2-CD2 3.53Å; L636-V659 HydrophobicContact CD1-CG1 4.33Å; L636-V659 HydrophobicContact CD2-CG2 4.16Å; L636-F663 HydrophobicContact CD1-CD2 4.36Å; L636-F663 HydrophobicContact CD1-CE2 4.43Å; L636-L684 HydrophobicContact CD1-CD2 3.67Å
637G90.3Very high78.4Confident18 Ų1858.8 Ų58.819%0.18632%0.315CS..Hα-helixtrans-56.2-44.3174.200000113.3L633 L639 M640 T641L633-G637 PolarHBondContact O-N 2.89Å; G637-L639 VanDerWaalsContact C-N 3.33Å; G637-L639 PolarHBondContact O-N 3.48Å; G637-M640 PolarHBondContact O-N 2.88Å; G637-T641 PolarHBondContact O-N 2.66Å; G637-T641 PolarHBondContact O-OG1 3.21Å
638L89.9Confident76.1Confident59 Ų5963.5 Ų63.531%0.30933%0.328SS..Hα-helixtrans-66.7-30175.9-71.4172.2000113.4F572 A576 Q580 K634 F635 L636 T641F572-L638 HydrophobicContact CD2-CD1 4.13Å; F572-L638 HydrophobicContact CE2-CD1 4.33Å; A576-L638 HydrophobicContact CB-CB 3.64Å; A576-L638 HydrophobicContact CB-CD1 4.01Å; A576-L638 HydrophobicContact CB-CG 4.49Å; Q580-L638 PolarHBondContact NE2-O 3.26Å; K634-L638 VanDerWaalsContact O-CG 3.31Å; K634-L638 WeakPolarHBondContact O-CG 3.15Å; K634-L638 PolarHBondContact O-N 2.89Å; F635-L638 PolarHBondContact O-N 2.94Å; L636-L638 VanDerWaalsContact C-N 3.34Å; L636-L638 PolarHBondContact O-N 2.97Å; L638-T641 WeakPolarHBondContact CA-OG1 3.41Å; L638-T641 PolarHBondContact O-OG1 2.91Å
639L89.4Confident74.2Confident0 Ų072.4 Ų72.40%037%0.367CS..Hα-helixtrans-81.6-25.5177.7-67.9175.7000113.4A576 L579 L611 F635 L636 G637 F653 L654A576-L639 HydrophobicContact CB-CD2 4.14Å; A576-L639 HydrophobicContact CB-CG 4.33Å; L579-L639 HydrophobicContact CB-CD2 3.93Å; L579-L639 HydrophobicContact CD1-CD1 4.25Å; L579-L639 HydrophobicContact CD1-CD2 4.21Å; L611-L639 HydrophobicContact CD2-CD1 3.71Å; F635-L639 HydrophobicContact CD1-CD1 4.24Å; F635-L639 HydrophobicContact CD2-CD1 4.25Å; F635-L639 HydrophobicContact CE1-CD1 3.86Å; F635-L639 HydrophobicContact CE2-CD1 3.86Å; F635-L639 HydrophobicContact CE2-CG 4.42Å; F635-L639 HydrophobicContact CG-CD1 4.44Å; F635-L639 HydrophobicContact CZ-CD1 3.66Å; F635-L639 WeakPolarHBondContact O-CG 3.49Å; F635-L639 PolarHBondContact O-N 3.36Å; L636-L639 PolarHBondContact O-N 3.45Å; L636-L639 VanDerWaalsContact O-N 3.09Å; G637-L639 VanDerWaalsContact C-N 3.33Å; G637-L639 PolarHBondContact O-N 3.48Å; L639-F653 HydrophobicContact CB-CB 4.44Å; L639-F653 HydrophobicContact CD2-CB 3.91Å; L639-F653 HydrophobicContact CD2-CD1 4.06Å; L639-F653 HydrophobicContact CD2-CG 4.08Å; L639-F653 PolarHBondContact O-N 3.35Å; L639-F653 VanDerWaalsContact O-N 3.08Å; L639-L654 HydrophobicContact CB-CB 4.06Å; L639-L654 PolarHBondContact O-N 2.98Å
640M88.9Confident72.7Confident3 Ų372.6 Ų72.62%0.01537%0.367CS..Hα-helixtrans-79.7-31.2173.8-67.7-176.1-58.900112.9L636 G637 S652 L654 P656 V659 A688 V691L636-M640 WeakPolarHBondContact O-CG 3.44Å; L636-M640 PolarHBondContact O-N 3.06Å; G637-M640 PolarHBondContact O-N 2.88Å; M640-S652 WeakPolarHBondContact O-CB 3.14Å; M640-L654 WeakPolarHBondContact CA-O 3.42Å; M640-P656 HydrophobicContact CB-CG 4.32Å; M640-P656 HydrophobicContact CG-CG 4.38Å; M640-P656 HydrophobicContact SD-CB 4.05Å; M640-P656 HydrophobicContact SD-CG 4.2Å; M640-V659 HydrophobicContact CG-CG2 4.03Å; M640-V659 HydrophobicContact SD-CB 3.93Å; M640-V659 HydrophobicContact SD-CG1 4.25Å; M640-V659 HydrophobicContact SD-CG2 3.62Å; M640-A688 HydrophobicContact CE-CB 4.24Å; M640-A688 HydrophobicContact SD-CB 4.04Å; M640-V691 HydrophobicContact CB-CG2 3.96Å; M640-V691 HydrophobicContact CE-CG2 4.4Å
641T83.4Confident71.5Confident57 Ų5775 Ų7535%0.3538%0.378SS..SBendtrans-75.1146.2175.443.40000112.1G637 L638G637-T641 PolarHBondContact O-N 2.66Å; G637-T641 PolarHBondContact O-OG1 3.21Å; L638-T641 WeakPolarHBondContact CA-OG1 3.41Å; L638-T641 PolarHBondContact O-OG1 2.91Å
642S67.5Low70.9Confident58 Ų5875.1 Ų75.141%0.40638%0.381SS..PPolyproline II helixtrans-80.7139.3166.8-1630000109.9K650S642-K650 WeakPolarHBondContact OG-CB 3.48Å; S642-K650 PolarHBondContact OG-O 3.41Å
643D55.8Low70.5Confident45 Ų4575.6 Ų75.624%0.24138%0.383CS..PPolyproline II helixtrans-77.6122.5-179.3163.544.9000110.6M645 K650D643-M645 PolarHBondContact O-N 3.02Å; D643-M645 VanDerWaalsContact O-N 3.15Å; D643-M645 WeakPolarHBondContact OD1-CG 3.33Å; D643-M645 PolarHBondContact OD1-N 2.74Å; D643-K650 HydrophobicContact CB-CD 4.34Å; D643-K650 VanDerWaalsContact CG-NZ 3.35Å; D643-K650 WeakPolarHBondContact O-CD 3.49Å; D643-K650 WeakPolarHBondContact O-CE 3.41Å; D643-K650 PolarHBondContact O-NZ 3.31Å; D643-K650 IonicContact OD2-NZ 3.96Å; D643-K650 PolarHBondContact OD2-NZ 2.85Å
644V47.4Very low70.3Confident132 Ų13274.2 Ų74.280%0.838%0.376SS*.SBendtrans-68.4-16.5-173.9-175.10000113.2N646V644-N646 VanDerWaalsContact C-N 3.31Å; V644-N646 PolarHBondContact O-N 3.39Å
645M45.3Very low70.1Confident142 Ų14274.1 Ų74.170%0.738%0.38SS*.SBendtrans-79.418.3-163.9-59.1-61.3-57.600117.4D643D643-M645 PolarHBondContact O-N 3.02Å; D643-M645 VanDerWaalsContact O-N 3.15Å; D643-M645 WeakPolarHBondContact OD1-CG 3.33Å; D643-M645 PolarHBondContact OD1-N 2.74Å
646N43.3Very low69.9Low125 Ų12574.7 Ų74.767%0.66838%0.383SS*.  trans-170.2133175.4-102.9-14.4000110V644 E648 K650V644-N646 VanDerWaalsContact C-N 3.31Å; V644-N646 PolarHBondContact O-N 3.39Å; N646-E648 PolarHBondContact O-N 3.24Å; N646-K650 VanDerWaalsContact CB-CE 3.42Å; N646-K650 WeakPolarHBondContact O-CD 3.48Å; N646-K650 WeakPolarHBondContact O-CE 3.36Å; N646-K650 PolarHBondContact O-NZ 3.2Å
647E38.3Very low69.7Low187 Ų18777.4 Ų77.487%0.87440%0.396SS*.  trans-73.5-21.6-168.3-69.4-78.4109.900115.9K649E647-K649 PolarHBondContact O-N 3.26Å; E647-K649 VanDerWaalsContact O-N 3.17Å
648E39.8Very low69.6Low181 Ų18178.4 Ų78.485%0.84640%0.396SS*.SBendtrans-85.597.9-167.2-64.2-169.9158.600113.4N646 K650N646-E648 PolarHBondContact O-N 3.24Å; E648-K650 PolarHBondContact O-N 3.11Å
649K50.8Low69.5Low209 Ų20975.6 Ų75.691%0.90938%0.381SS*.  trans42.559.6163.7-70.7-170.5176-178.50116E647 E651E647-K649 PolarHBondContact O-N 3.26Å; E647-K649 VanDerWaalsContact O-N 3.17Å; K649-E651 PolarHBondContact O-N 2.93Å
650K56.6Low69.5Low62 Ų6275.7 Ų75.727%0.2738%0.382SS..  trans-83.498.6176.1-68.9179.8177.91780113.5S642 D643 N646 E648S642-K650 WeakPolarHBondContact OG-CB 3.48Å; S642-K650 PolarHBondContact OG-O 3.41Å; D643-K650 HydrophobicContact CB-CD 4.34Å; D643-K650 VanDerWaalsContact CG-NZ 3.35Å; D643-K650 WeakPolarHBondContact O-CD 3.49Å; D643-K650 WeakPolarHBondContact O-CE 3.41Å; D643-K650 PolarHBondContact O-NZ 3.31Å; D643-K650 IonicContact OD2-NZ 3.96Å; D643-K650 PolarHBondContact OD2-NZ 2.85Å; N646-K650 VanDerWaalsContact CB-CE 3.42Å; N646-K650 WeakPolarHBondContact O-CD 3.48Å; N646-K650 WeakPolarHBondContact O-CE 3.36Å; N646-K650 PolarHBondContact O-NZ 3.2Å; E648-K650 PolarHBondContact O-N 3.11Å
651E63.4Low69.5Low154 Ų15478.2 Ų78.272%0.7240%0.395SS*.  trans-68.8138.4158.2-65174.5177.900111K586 K649K586-E651 PolarHBondContact NZ-O 3.04Å; K586-E651 IonicContact NZ-OE2 2.62Å; K586-E651 PolarHBondContact NZ-OE2 3.24Å; K649-E651 PolarHBondContact O-N 2.93Å
652S79.3Confident69.6Low23 Ų2376 Ų7616%0.16138%0.382CS..  trans-56.3157.6173.666.70000112.5K586 M640 L654K586-S652 WeakPolarHBondContact CE-O 3.41Å; K586-S652 PolarHBondContact NZ-O 3.07Å; M640-S652 WeakPolarHBondContact O-CB 3.14Å; S652-L654 VanDerWaalsContact C-N 3.33Å; S652-L654 WeakPolarHBondContact CB-O 3.47Å; S652-L654 PolarHBondContact OG-O 3.22Å
653F84.3Confident70.5Confident11 Ų1174 Ų745%0.04837%0.366CS..SBendtrans-72.4-32.3176.3-169.1-87.6000111.7L579 L585 K586 L611 L639L579-F653 HydrophobicContact CB-CD1 4.42Å; L579-F653 HydrophobicContact CB-CD2 4.14Å; L579-F653 HydrophobicContact CB-CE1 4.35Å; L579-F653 HydrophobicContact CB-CE2 4.04Å; L579-F653 HydrophobicContact CB-CG 4.34Å; L579-F653 HydrophobicContact CB-CZ 4.16Å; L579-F653 HydrophobicContact CD2-CZ 4.17Å; L579-F653 WeakPolarHBondContact O-CD2 3.42Å; L579-F653 WeakPolarHBondContact O-CE2 3.33Å; L585-F653 HydrophobicContact CB-CE2 4.37Å; L585-F653 HydrophobicContact CB-CZ 4.06Å; K586-F653 HydrophobicContact CG-CD2 4.32Å; K586-F653 HydrophobicContact CG-CE2 4.25Å; L611-F653 HydrophobicContact CB-CE1 4.49Å; L611-F653 HydrophobicContact CD2-CD1 3.92Å; L611-F653 HydrophobicContact CD2-CE1 3.8Å; L639-F653 HydrophobicContact CB-CB 4.44Å; L639-F653 HydrophobicContact CD2-CB 3.91Å; L639-F653 HydrophobicContact CD2-CD1 4.06Å; L639-F653 HydrophobicContact CD2-CG 4.08Å; L639-F653 PolarHBondContact O-N 3.35Å; L639-F653 VanDerWaalsContact O-N 3.08Å
654L86.8Confident72Confident2 Ų271.9 Ų71.91%0.0135%0.354CS..SBendtrans-133.1142.2-178-172.959.9000109.9L611 L636 L639 M640 S652 E658 V659L611-L654 HydrophobicContact CD2-CD1 4.38Å; L611-L654 HydrophobicContact CD2-CD2 4.04Å; L636-L654 HydrophobicContact CD2-CD2 3.53Å; L639-L654 HydrophobicContact CB-CB 4.06Å; L639-L654 PolarHBondContact O-N 2.98Å; M640-L654 WeakPolarHBondContact CA-O 3.42Å; S652-L654 VanDerWaalsContact C-N 3.33Å; S652-L654 WeakPolarHBondContact CB-O 3.47Å; S652-L654 PolarHBondContact OG-O 3.22Å; L654-E658 HydrophobicContact CD1-CB 4.13Å; L654-E658 WeakPolarHBondContact CD1-OE2 3.47Å; L654-V659 HydrophobicContact CD2-CG2 3.39Å; L654-V659 HydrophobicContact CG-CG2 3.83Å
655L86.9Confident73.9Confident89 Ų8967.8 Ų67.847%0.46633%0.328SS..  trans-87.8136.8177.2-63.7175.5000110.4Q657 E658 V659L655-Q657 PolarHBondContact O-N 3.44Å; L655-E658 HydrophobicContact CB-CG 4.21Å; L655-E658 WeakPolarHBondContact O-CB 2.96Å; L655-E658 PolarHBondContact O-N 2.95Å; L655-V659 PolarHBondContact O-N 3.4Å
656P88.6Confident75.7Confident11 Ų1163.4 Ų63.47%0.07131%0.31CS..Hα-helixtrans-53.5-37.9175.9-28.535.4000113.8M640 E658 V659 V660 A688 V691 W699M640-P656 HydrophobicContact CB-CG 4.32Å; M640-P656 HydrophobicContact CG-CG 4.38Å; M640-P656 HydrophobicContact SD-CB 4.05Å; M640-P656 HydrophobicContact SD-CG 4.2Å; P656-E658 VanDerWaalsContact C-N 3.31Å; P656-E658 PolarHBondContact O-N 3.39Å; P656-V659 PolarHBondContact O-N 3.09Å; P656-V659 VanDerWaalsContact O-N 3.15Å; P656-V660 PolarHBondContact O-N 3.17Å; P656-A688 HydrophobicContact CB-CB 4.15Å; P656-V691 HydrophobicContact CG-CB 4.22Å; P656-V691 HydrophobicContact CG-CG1 4.33Å; P656-V691 HydrophobicContact CG-CG2 4.44Å; P656-W699 HydrophobicContact CB-CD2 3.98Å; P656-W699 HydrophobicContact CB-CE3 4.31Å; P656-W699 HydrophobicContact CB-CH2 3.96Å; P656-W699 HydrophobicContact CB-CZ2 3.58Å; P656-W699 HydrophobicContact CB-CZ3 4.3Å
657Q87.8Confident77.3Confident57 Ų5759.9 Ų59.927%0.26629%0.291SS..Hα-helixtrans-55.1-41.9173.4-170.5-160.2-20.200113L655 N661 W699 S702L655-Q657 PolarHBondContact O-N 3.44Å; Q657-N661 VanDerWaalsContact O-CB 3.29Å; Q657-N661 WeakPolarHBondContact O-CB 3.41Å; Q657-N661 VanDerWaalsContact O-CG 3.25Å; Q657-N661 PolarHBondContact O-N 3.25Å; Q657-W699 HydrophobicContact CB-CB 4.38Å; Q657-W699 HydrophobicContact CB-CD2 4.48Å; Q657-W699 HydrophobicContact CB-CE3 3.84Å; Q657-W699 HydrophobicContact CG-CE3 4.48Å; Q657-S702 VanDerWaalsContact CD-CB 3.49Å
658E87.3Confident79.1Confident40 Ų4052.1 Ų52.119%0.18726%0.255CS..Hα-helixtrans-69.1-36.5179-68.7-17216200111.4N609 L654 L655 P656 T662N609-E658 VanDerWaalsContact CB-OE2 3.28Å; N609-E658 WeakPolarHBondContact CB-OE2 3.38Å; N609-E658 PolarHBondContact ND2-OE2 2.9Å; L654-E658 HydrophobicContact CD1-CB 4.13Å; L654-E658 WeakPolarHBondContact CD1-OE2 3.47Å; L655-E658 HydrophobicContact CB-CG 4.21Å; L655-E658 WeakPolarHBondContact O-CB 2.96Å; L655-E658 PolarHBondContact O-N 2.95Å; P656-E658 VanDerWaalsContact C-N 3.31Å; P656-E658 PolarHBondContact O-N 3.39Å; E658-T662 WeakPolarHBondContact O-CB 3.33Å; E658-T662 PolarHBondContact O-N 3.25Å; E658-T662 PolarHBondContact O-OG1 3.3Å
659V89.6Confident80.2Confident0 Ų047.6 Ų47.60%024%0.244CC..Hα-helixtrans-64.6-49175176.30000110.7L636 M640 L654 L655 P656 N661 T662 F663L636-V659 HydrophobicContact CD1-CG1 4.33Å; L636-V659 HydrophobicContact CD2-CG2 4.16Å; M640-V659 HydrophobicContact CG-CG2 4.03Å; M640-V659 HydrophobicContact SD-CB 3.93Å; M640-V659 HydrophobicContact SD-CG1 4.25Å; M640-V659 HydrophobicContact SD-CG2 3.62Å; L654-V659 HydrophobicContact CD2-CG2 3.39Å; L654-V659 HydrophobicContact CG-CG2 3.83Å; L655-V659 PolarHBondContact O-N 3.4Å; P656-V659 PolarHBondContact O-N 3.09Å; P656-V659 VanDerWaalsContact O-N 3.15Å; V659-N661 PolarHBondContact O-N 2.88Å; V659-T662 PolarHBondContact O-N 3.19Å; V659-F663 HydrophobicContact CG1-CD2 4.16Å; V659-F663 PolarHBondContact O-N 3.1Å
660V89.4Confident80.5Confident1 Ų139.7 Ų39.71%0.00622%0.218CC..Iπ-helixtrans-61-47.5178.9171.90000111.1P656 T662 V664 L665 L685 A688 W699 C703P656-V660 PolarHBondContact O-N 3.17Å; V660-T662 VanDerWaalsContact C-N 3.29Å; V660-T662 PolarHBondContact O-N 3.38Å; V660-V664 HydrophobicContact CG1-CB 4.23Å; V660-V664 HydrophobicContact CG2-CG2 4.43Å; V660-V664 WeakPolarHBondContact O-CA 3.25Å; V660-V664 WeakPolarHBondContact O-CB 3.29Å; V660-V664 PolarHBondContact O-N 3.27Å; V660-L665 HydrophobicContact CG1-CD2 4.19Å; V660-L665 HydrophobicContact CG1-CG 4.04Å; V660-L665 PolarHBondContact O-N 3.01Å; V660-L685 HydrophobicContact CG1-CD1 4.29Å; V660-L685 HydrophobicContact CG2-CD1 3.73Å; V660-A688 HydrophobicContact CG2-CB 3.89Å; V660-W699 HydrophobicContact CB-CZ3 4.33Å; V660-W699 HydrophobicContact CG2-CH2 3.9Å; V660-W699 HydrophobicContact CG2-CZ3 3.86Å; V660-C703 HydrophobicContact CG1-CB 4.05Å
661N87.4Confident80.1Confident57 Ų5743.3 Ų43.331%0.30524%0.244SC..Iπ-helixtrans-69.6-22.9179.8-69.3-9.9000113.6Q657 V659 L665 S702 C703Q657-N661 VanDerWaalsContact O-CB 3.29Å; Q657-N661 WeakPolarHBondContact O-CB 3.41Å; Q657-N661 VanDerWaalsContact O-CG 3.25Å; Q657-N661 PolarHBondContact O-N 3.25Å; V659-N661 PolarHBondContact O-N 2.88Å; N661-L665 WeakPolarHBondContact OD1-CD1 3.34Å; N661-S702 PolarHBondContact ND2-O 3.39Å; N661-C703 PolarHBondContact OD1-SG 3.24Å
662T86.2Confident79.4Confident11 Ų1139.6 Ų39.67%0.06725%0.248CC..Iπ-helixtrans-93.9-37.5-178.6-600000113.5C612 Q616 E658 V659 V660C612-T662 HydrophobicContact CB-CG2 3.78Å; Q616-T662 HydrophobicContact CG-CG2 3.75Å; Q616-T662 VanDerWaalsContact NE2-CG2 3.25Å; Q616-T662 PolarHBondContact NE2-O 3.42Å; E658-T662 WeakPolarHBondContact O-CB 3.33Å; E658-T662 PolarHBondContact O-N 3.25Å; E658-T662 PolarHBondContact O-OG1 3.3Å; V659-T662 PolarHBondContact O-N 3.19Å; V660-T662 VanDerWaalsContact C-N 3.29Å; V660-T662 PolarHBondContact O-N 3.38Å
663F86Confident77.5Confident16 Ų1643.2 Ų43.27%0.0727%0.265CS..Iπ-helixtrans-124.3-15.8-167.6-57.2-73.9000114.7L615 Q616 I619 L636 V659 N667 L684L615-F663 HydrophobicContact CB-CZ 4.09Å; L615-F663 HydrophobicContact CD2-CE2 4.33Å; L615-F663 HydrophobicContact CD2-CZ 3.88Å; L615-F663 HydrophobicContact CG-CE1 4.47Å; L615-F663 HydrophobicContact CG-CZ 4.04Å; Q616-F663 HydrophobicContact CG-CD1 4.37Å; Q616-F663 HydrophobicContact CG-CE1 3.66Å; Q616-F663 HydrophobicContact CG-CZ 4.2Å; I619-F663 HydrophobicContact CD1-CD1 4.41Å; I619-F663 HydrophobicContact CD1-CE1 3.93Å; L636-F663 HydrophobicContact CD1-CD2 4.36Å; L636-F663 HydrophobicContact CD1-CE2 4.43Å; V659-F663 HydrophobicContact CG1-CD2 4.16Å; V659-F663 PolarHBondContact O-N 3.1Å; F663-N667 PolarHBondContact O-ND2 3.45Å; F663-N667 VanDerWaalsContact O-ND2 3.09Å; F663-L684 HydrophobicContact CB-CD1 3.91Å
664V88.5Confident75.6Confident0 Ų050.9 Ų50.90%031%0.307CS..Iπ-helixtrans-104.6-60.2-178.9-179.60000111.1V660 N667 L668 L684 L685V660-V664 HydrophobicContact CG1-CB 4.23Å; V660-V664 HydrophobicContact CG2-CG2 4.43Å; V660-V664 WeakPolarHBondContact O-CA 3.25Å; V660-V664 WeakPolarHBondContact O-CB 3.29Å; V660-V664 PolarHBondContact O-N 3.27Å; V664-N667 WeakPolarHBondContact O-CB 3.41Å; V664-N667 PolarHBondContact O-N 3.05Å; V664-N667 VanDerWaalsContact O-N 3.09Å; V664-L668 HydrophobicContact CG1-CD1 3.6Å; V664-L668 HydrophobicContact CG1-CG 4.06Å; V664-L668 PolarHBondContact O-N 2.79Å; V664-L684 HydrophobicContact CG2-CB 3.95Å; V664-L685 HydrophobicContact CG1-CB 4.01Å; V664-L685 HydrophobicContact CG1-CD2 4.14Å; V664-L685 HydrophobicContact CG1-CG 4.45Å; V664-L685 HydrophobicContact CG2-CB 4.22Å
665L86.1Confident74Confident46 Ų4659.4 Ų59.424%0.24134%0.344CS..Hα-helixtrans-58-42.2-175.1-60.7-174.2000114.1V660 N661 N667 L668 S669 L708V660-L665 HydrophobicContact CG1-CD2 4.19Å; V660-L665 HydrophobicContact CG1-CG 4.04Å; V660-L665 PolarHBondContact O-N 3.01Å; N661-L665 WeakPolarHBondContact OD1-CD1 3.34Å; L665-N667 VanDerWaalsContact C-N 3.26Å; L665-N667 PolarHBondContact O-N 2.85Å; L665-L668 PolarHBondContact O-N 3.34Å; L665-S669 VanDerWaalsContact O-CB 3.28Å; L665-S669 WeakPolarHBondContact O-CB 3.36Å; L665-S669 PolarHBondContact O-N 2.97Å; L665-S669 PolarHBondContact O-OG 3.28Å; L665-L708 HydrophobicContact CD2-CD1 3.95Å; L665-L708 HydrophobicContact CD2-CD2 4.37Å
666P82.5Confident72.7Confident50 Ų5057.7 Ų57.733%0.32534%0.335SS..Hα-helixtrans-59.9-38.1177.2-24.235.8000112.5S669 A670P666-S669 PolarHBondContact O-OG 3.05Å; P666-S669 VanDerWaalsContact O-OG 3.12Å; P666-A670 WeakPolarHBondContact O-CB 3.39Å
667N77.7Confident72Confident50 Ų5059.2 Ų59.227%0.26734%0.342SS..Hα-helixtrans-72.7-46.2-179.2-69.90.9000111.5F663 V664 L665 S669 I676 S681F663-N667 PolarHBondContact O-ND2 3.45Å; F663-N667 VanDerWaalsContact O-ND2 3.09Å; V664-N667 WeakPolarHBondContact O-CB 3.41Å; V664-N667 PolarHBondContact O-N 3.05Å; V664-N667 VanDerWaalsContact O-N 3.09Å; L665-N667 VanDerWaalsContact C-N 3.26Å; L665-N667 PolarHBondContact O-N 2.85Å; N667-S669 VanDerWaalsContact C-N 3.25Å; N667-S669 PolarHBondContact O-N 2.98Å; N667-I676 HydrophobicContact CB-CG2 3.55Å; N667-S681 VanDerWaalsContact CB-OG 3.28Å; N667-S681 WeakPolarHBondContact CB-OG 3.44Å; N667-S681 PolarHBondContact ND2-OG 2.92Å
668L75.7Confident71.5Confident24 Ų2457.4 Ų57.413%0.12634%0.335CS..Hα-helixtrans-70-19.2179.7-61.9-176.2000113.6V664 L665 T678 L708 V711 L712 L715V664-L668 HydrophobicContact CG1-CD1 3.6Å; V664-L668 HydrophobicContact CG1-CG 4.06Å; V664-L668 PolarHBondContact O-N 2.79Å; L665-L668 PolarHBondContact O-N 3.34Å; L668-T678 HydrophobicContact CD2-CG2 4.21Å; L668-L708 HydrophobicContact CD1-CD1 3.7Å; L668-V711 HydrophobicContact CB-CG1 4.18Å; L668-L712 HydrophobicContact CD1-CD2 4.45Å; L668-L715 HydrophobicContact CD2-CD1 4.16Å
669S64.4Low71.3Confident86 Ų8659.6 Ų59.660%0.60135%0.345SS*.Hα-helixtrans-91.4-16.6-17869.50000115.5L665 P666 N667 V671L665-S669 VanDerWaalsContact O-CB 3.28Å; L665-S669 WeakPolarHBondContact O-CB 3.36Å; L665-S669 PolarHBondContact O-N 2.97Å; L665-S669 PolarHBondContact O-OG 3.28Å; P666-S669 PolarHBondContact O-OG 3.05Å; P666-S669 VanDerWaalsContact O-OG 3.12Å; N667-S669 VanDerWaalsContact C-N 3.25Å; N667-S669 PolarHBondContact O-N 2.98Å; S669-V671 PolarHBondContact O-N 3.35Å
670A55.8Low71.1Confident44 Ų4460.3 Ų60.336%0.36435%0.348SS..  trans-91.583-168.300000112.2P666 G672 I676P666-A670 WeakPolarHBondContact O-CB 3.39Å; A670-G672 PolarHBondContact O-N 3.26Å; A670-G672 VanDerWaalsContact O-N 3.11Å; A670-I676 HydrophobicContact CB-CD1 3.4Å; A670-I676 VanDerWaalsContact CB-CD1 3.4Å
671V48.7Very low71.1Confident137 Ų13760.3 Ų60.383%0.8335%0.348SS*.THydrogen-bonded Turntrans-67105.6173.5-177.70000110.3S669S669-V671 PolarHBondContact O-N 3.35Å
672G48Very low71.2Confident77 Ų7757.6 Ų57.679%0.79433%0.334SS*.THydrogen-bonded Turntrans106.233.4164.300000118.1A670A670-G672 PolarHBondContact O-N 3.26Å; A670-G672 VanDerWaalsContact O-N 3.11Å
673D40.4Very low71.5Confident98 Ų9859.5 Ų59.552%0.52434%0.342SS..  trans-126.9114.3168-162.7-5.4000110.3K675D673-K675 PolarHBondContact O-N 3.38Å
674D45Very low71.7Confident173 Ų17358.8 Ų58.893%0.92534%0.339SS*.THydrogen-bonded Turntrans-67.218.3-165.3-71-39.8000116.2
675K52.1Low71.9Confident181 Ų18158.9 Ų58.979%0.78734%0.339SS*.THydrogen-bonded Turntrans-114.63.3-172.1-68.6171.5-174.2155.70114.1D673D673-K675 PolarHBondContact O-N 3.38Å
676I58.6Low72.2Confident53 Ų5360.4 Ų60.427%0.27235%0.345SS..  trans-99.3122.5-168.6-62.2177.9000111.1N667 A670 T678N667-I676 HydrophobicContact CB-CG2 3.55Å; A670-I676 HydrophobicContact CB-CD1 3.4Å; A670-I676 VanDerWaalsContact CB-CD1 3.4Å; I676-T678 PolarHBondContact O-N 3.14Å
677D74.9Confident72.6Confident43 Ų4359.2 Ų59.223%0.2334%0.34CS..  trans-87.794.7176.4-168.7-22.3000110.6K629 E679 F680 S681K629-D677 WeakPolarHBondContact CD-OD2 3.18Å; K629-D677 WeakPolarHBondContact CE-OD2 3.21Å; K629-D677 IonicContact NZ-OD2 2.7Å; K629-D677 PolarHBondContact NZ-OD2 3.31Å; D677-E679 PolarHBondContact OD1-N 2.89Å; D677-F680 HydrophobicContact CB-CB 3.9Å; D677-F680 WeakPolarHBondContact OD1-CB 3.28Å; D677-F680 PolarHBondContact OD1-N 2.99Å; D677-F680 WeakPolarHBondContact OD2-CB 3.38Å; D677-S681 WeakPolarHBondContact O-CB 3.42Å; D677-S681 PolarHBondContact O-N 3.31Å; D677-S681 VanDerWaalsContact O-N 3.09Å; D677-S681 PolarHBondContact O-OG 2.7Å
678T78.2Confident73.3Confident18 Ų1856.9 Ų56.911%0.1133%0.327CS..Hα-helixtrans-65.7-39.3178.1-56.40000111.4L668 I676 S681 L682 L715 L733L668-T678 HydrophobicContact CD2-CG2 4.21Å; I676-T678 PolarHBondContact O-N 3.14Å; T678-S681 PolarHBondContact O-N 3.38Å; T678-L682 HydrophobicContact CG2-CD1 4.43Å; T678-L682 WeakPolarHBondContact O-CG 3.24Å; T678-L682 PolarHBondContact O-N 3Å; T678-L715 HydrophobicContact CG2-CD1 4.06Å; T678-L715 HydrophobicContact CG2-CD2 4.37Å; T678-L733 HydrophobicContact CG2-CD1 4.11Å
679E82.8Confident73.9Confident86 Ų8656.3 Ų56.340%0.40232%0.324SS..Hα-helixtrans-63-49.2179-171.4-163.1143.700110.8D677 S681 L682 Q683 T738D677-E679 PolarHBondContact OD1-N 2.89Å; E679-S681 VanDerWaalsContact C-N 3.26Å; E679-S681 PolarHBondContact O-N 3.34Å; E679-L682 WeakPolarHBondContact O-CB 3.27Å; E679-L682 PolarHBondContact O-N 3.06Å; E679-L682 VanDerWaalsContact O-N 3.12Å; E679-Q683 WeakPolarHBondContact O-CG 3.42Å; E679-Q683 PolarHBondContact O-N 2.68Å; E679-Q683 PolarHBondContact OE1-NE2 3.09Å; E679-T738 HydrophobicContact CB-CG2 4.17Å; E679-T738 HydrophobicContact CG-CG2 3.96Å
680F85.8Confident75Confident16 Ų1655.7 Ų55.77%0.0732%0.32CS..Hα-helixtrans-62.6-33.6176.6-177-113.4000112.6M624 K629 L632 L633 D677 Q683 L684M624-F680 HydrophobicContact CE-CE1 4.37Å; K629-F680 HydrophobicContact CB-CD2 3.83Å; K629-F680 HydrophobicContact CB-CE2 3.83Å; K629-F680 HydrophobicContact CB-CG 4.47Å; K629-F680 HydrophobicContact CB-CZ 4.47Å; K629-F680 HydrophobicContact CG-CD2 4.25Å; K629-F680 HydrophobicContact CG-CE2 4.45Å; K629-F680 HydrophobicContact CG-CG 4.41Å; K629-F680 VanDerWaalsContact O-CE2 3.22Å; K629-F680 WeakPolarHBondContact O-CE2 3.36Å; L632-F680 HydrophobicContact CB-CZ 4.13Å; L632-F680 HydrophobicContact CD2-CE1 3.84Å; L632-F680 HydrophobicContact CD2-CZ 3.66Å; L632-F680 HydrophobicContact CG-CZ 3.95Å; L633-F680 HydrophobicContact CB-CE2 4.09Å; D677-F680 HydrophobicContact CB-CB 3.9Å; D677-F680 WeakPolarHBondContact OD1-CB 3.28Å; D677-F680 PolarHBondContact OD1-N 2.99Å; D677-F680 WeakPolarHBondContact OD2-CB 3.38Å; F680-Q683 PolarHBondContact O-N 2.92Å; F680-L684 HydrophobicContact CD1-CD1 3.97Å; F680-L684 HydrophobicContact CE1-CD1 3.46Å; F680-L684 VanDerWaalsContact CE1-CD1 3.46Å; F680-L684 HydrophobicContact CE1-CG 4.08Å; F680-L684 HydrophobicContact CE2-CG 4.35Å; F680-L684 HydrophobicContact CZ-CD1 3.8Å; F680-L684 HydrophobicContact CZ-CD2 4.22Å; F680-L684 HydrophobicContact CZ-CG 3.95Å; F680-L684 WeakPolarHBondContact O-CG 3.24Å; F680-L684 PolarHBondContact O-N 3.31Å
681S88.8Confident76.4Confident0 Ų054.7 Ų54.70%031%0.309CS..Hα-helixtrans-68.2-36.3175-550000111.9N667 D677 T678 E679 L685N667-S681 VanDerWaalsContact CB-OG 3.28Å; N667-S681 WeakPolarHBondContact CB-OG 3.44Å; N667-S681 PolarHBondContact ND2-OG 2.92Å; D677-S681 WeakPolarHBondContact O-CB 3.42Å; D677-S681 PolarHBondContact O-N 3.31Å; D677-S681 VanDerWaalsContact O-N 3.09Å; D677-S681 PolarHBondContact O-OG 2.7Å; T678-S681 PolarHBondContact O-N 3.38Å; E679-S681 VanDerWaalsContact C-N 3.26Å; E679-S681 PolarHBondContact O-N 3.34Å; S681-L685 WeakPolarHBondContact O-CB 3.18Å; S681-L685 PolarHBondContact O-N 2.88Å
682L89.4Confident77.4Confident0 Ų057.6 Ų57.60%031%0.313CS..Hα-helixtrans-69.2-40.2171.3-68172.8000112.1T678 E679 L684 L685 H686 L712 T738 L741 L742T678-L682 HydrophobicContact CG2-CD1 4.43Å; T678-L682 WeakPolarHBondContact O-CG 3.24Å; T678-L682 PolarHBondContact O-N 3Å; E679-L682 WeakPolarHBondContact O-CB 3.27Å; E679-L682 PolarHBondContact O-N 3.06Å; E679-L682 VanDerWaalsContact O-N 3.12Å; L682-L684 VanDerWaalsContact C-N 3.35Å; L682-L684 PolarHBondContact O-N 3.13Å; L682-L685 PolarHBondContact O-N 3.28Å; L682-H686 WeakPolarHBondContact O-CB 3.44Å; L682-H686 PolarHBondContact O-N 3.25Å; L682-L712 HydrophobicContact CD2-CD2 3.38Å; L682-T738 HydrophobicContact CD1-CG2 3.94Å; L682-L741 HydrophobicContact CB-CD2 3.9Å; L682-L741 HydrophobicContact CB-CG 4.28Å; L682-L742 HydrophobicContact CD1-CB 4.23Å; L682-L742 HydrophobicContact CD1-CD1 4.16Å; L682-L742 HydrophobicContact CD2-CD1 3.78Å
683Q91.4Very high78.1Confident51 Ų5156.1 Ų56.124%0.23829%0.294CS..Hα-helixtrans-61.3-42.7175.1-69.4175.411.900111.4L633 E679 F680 A687 L741L633-Q683 HydrophobicContact CD1-CB 4.32Å; L633-Q683 HydrophobicContact CD2-CB 4.03Å; E679-Q683 WeakPolarHBondContact O-CG 3.42Å; E679-Q683 PolarHBondContact O-N 2.68Å; E679-Q683 PolarHBondContact OE1-NE2 3.09Å; F680-Q683 PolarHBondContact O-N 2.92Å; Q683-A687 WeakPolarHBondContact O-CB 3.46Å; Q683-A687 PolarHBondContact O-N 2.94Å; Q683-L741 HydrophobicContact CB-CD2 4.41Å; Q683-L741 HydrophobicContact CG-CD2 3.58Å
684L91.4Very high78.9Confident2 Ų256.7 Ų56.71%0.0131%0.312CS..Hα-helixtrans-64.1-41.6174.2-78.6172.7000112.5L633 L636 F663 V664 F680 L682 A687 A688L633-L684 HydrophobicContact CD1-CD2 3.83Å; L633-L684 HydrophobicContact CD1-CG 4.26Å; L636-L684 HydrophobicContact CD1-CD2 3.67Å; F663-L684 HydrophobicContact CB-CD1 3.91Å; V664-L684 HydrophobicContact CG2-CB 3.95Å; F680-L684 HydrophobicContact CD1-CD1 3.97Å; F680-L684 HydrophobicContact CE1-CD1 3.46Å; F680-L684 VanDerWaalsContact CE1-CD1 3.46Å; F680-L684 HydrophobicContact CE1-CG 4.08Å; F680-L684 HydrophobicContact CE2-CG 4.35Å; F680-L684 HydrophobicContact CZ-CD1 3.8Å; F680-L684 HydrophobicContact CZ-CD2 4.22Å; F680-L684 HydrophobicContact CZ-CG 3.95Å; F680-L684 WeakPolarHBondContact O-CG 3.24Å; F680-L684 PolarHBondContact O-N 3.31Å; L682-L684 VanDerWaalsContact C-N 3.35Å; L682-L684 PolarHBondContact O-N 3.13Å; L684-A687 PolarHBondContact O-N 2.88Å; L684-A688 WeakPolarHBondContact O-CB 3.32Å; L684-A688 PolarHBondContact O-N 3.35Å
685L92.2Very high79.7Confident1 Ų153 Ų531%0.00530%0.298CS..Hα-helixtrans-65.5-44177.3-17754.3000111.4V660 V664 S681 L682 A688 L689 L708 L712 V745V660-L685 HydrophobicContact CG1-CD1 4.29Å; V660-L685 HydrophobicContact CG2-CD1 3.73Å; V664-L685 HydrophobicContact CG1-CB 4.01Å; V664-L685 HydrophobicContact CG1-CD2 4.14Å; V664-L685 HydrophobicContact CG1-CG 4.45Å; V664-L685 HydrophobicContact CG2-CB 4.22Å; S681-L685 WeakPolarHBondContact O-CB 3.18Å; S681-L685 PolarHBondContact O-N 2.88Å; L682-L685 PolarHBondContact O-N 3.28Å; L685-A688 PolarHBondContact O-N 3.35Å; L685-L689 HydrophobicContact CD1-CD1 4.09Å; L685-L689 HydrophobicContact CD1-CG 4.15Å; L685-L689 HydrophobicContact CG-CD1 4Å; L685-L689 HydrophobicContact CG-CG 4.49Å; L685-L689 VanDerWaalsContact O-CG 3.28Å; L685-L689 WeakPolarHBondContact O-CG 3.48Å; L685-L689 PolarHBondContact O-N 2.73Å; L685-L708 HydrophobicContact CD1-CD2 4.36Å; L685-L708 HydrophobicContact CD2-CD1 4.18Å; L685-L708 HydrophobicContact CD2-CD2 4.2Å; L685-L712 HydrophobicContact CD2-CD1 4.12Å; L685-L712 HydrophobicContact CD2-CD2 4.27Å; L685-V745 HydrophobicContact CD2-CG1 3.61Å; L685-V745 HydrophobicContact CG-CG1 3.9Å
686H92.4Very high80.2Confident78 Ų7849.4 Ų49.436%0.36130%0.295SS..Hα-helixtrans-58.4-48174.6-170.1-85.9000111.9L682 A688 L689 S690 L741 S744 V745L682-H686 WeakPolarHBondContact O-CB 3.44Å; L682-H686 PolarHBondContact O-N 3.25Å; H686-A688 VanDerWaalsContact C-N 3.28Å; H686-A688 PolarHBondContact O-N 3.4Å; H686-L689 PolarHBondContact O-N 3.16Å; H686-S690 WeakPolarHBondContact O-CB 3.32Å; H686-S690 PolarHBondContact O-N 2.95Å; H686-S690 PolarHBondContact O-OG 3.03Å; H686-L741 HydrophobicContact CB-CD1 3.82Å; H686-S744 PolarHBondContact CD2-OG 3.47Å; H686-S744 WeakPolarHBondContact NE2-CB 3.47Å; H686-S744 PolarHBondContact NE2-OG 3.47Å; H686-V745 HydrophobicContact CB-CG2 3.69Å
687A91.6Very high81.2Confident26 Ų2651.2 Ų51.222%0.21531%0.311CS..Hα-helixtrans-65.3-28.3177.500000113.5L633 Q683 L684 V691L633-A687 HydrophobicContact CD1-CB 3.74Å; Q683-A687 WeakPolarHBondContact O-CB 3.46Å; Q683-A687 PolarHBondContact O-N 2.94Å; L684-A687 PolarHBondContact O-N 2.88Å; A687-V691 WeakPolarHBondContact O-CG2 3.37Å
688A91.1Very high81.7Confident0 Ų050.1 Ų50.10%030%0.304CS..Hα-helixtrans-75.8-39.4173.500000112.4M640 P656 V660 L684 L685 H686 S690 V691 W699M640-A688 HydrophobicContact CE-CB 4.24Å; M640-A688 HydrophobicContact SD-CB 4.04Å; P656-A688 HydrophobicContact CB-CB 4.15Å; V660-A688 HydrophobicContact CG2-CB 3.89Å; L684-A688 WeakPolarHBondContact O-CB 3.32Å; L684-A688 PolarHBondContact O-N 3.35Å; L685-A688 PolarHBondContact O-N 3.35Å; H686-A688 VanDerWaalsContact C-N 3.28Å; H686-A688 PolarHBondContact O-N 3.4Å; A688-S690 VanDerWaalsContact C-N 3.32Å; A688-V691 PolarHBondContact O-N 3.46Å; A688-W699 HydrophobicContact CB-CH2 4.18Å; A688-W699 HydrophobicContact CB-CZ2 4.49Å; A688-W699 WeakPolarHBondContact O-CZ2 3.38Å
689L89.7Confident82.2Confident13 Ų1351 Ų517%0.06831%0.305CS..Hα-helixtrans-72.1-24.2176.6-67170.7000113L685 H686 V691 W699 V700 V745 T748 L749 L752L685-L689 HydrophobicContact CD1-CD1 4.09Å; L685-L689 HydrophobicContact CD1-CG 4.15Å; L685-L689 HydrophobicContact CG-CD1 4Å; L685-L689 HydrophobicContact CG-CG 4.49Å; L685-L689 VanDerWaalsContact O-CG 3.28Å; L685-L689 WeakPolarHBondContact O-CG 3.48Å; L685-L689 PolarHBondContact O-N 2.73Å; H686-L689 PolarHBondContact O-N 3.16Å; L689-V691 PolarHBondContact O-N 3.44Å; L689-W699 HydrophobicContact CD2-CH2 4Å; L689-W699 HydrophobicContact CD2-CZ2 4.02Å; L689-V700 HydrophobicContact CD2-CG2 3.66Å; L689-V745 HydrophobicContact CD1-CG1 4.24Å; L689-T748 HydrophobicContact CB-CG2 4.12Å; L689-L749 HydrophobicContact CD1-CB 4.12Å; L689-L749 HydrophobicContact CD1-CD1 4.44Å; L689-L749 HydrophobicContact CD2-CD1 3.96Å; L689-L752 HydrophobicContact CD2-CD1 3.83Å
690S87.1Confident82.4Confident72 Ų7247.1 Ų47.150%0.50329%0.287SS..THydrogen-bonded Turntrans-78.83.2176.4-56.30000114.1H686 A688H686-S690 WeakPolarHBondContact O-CB 3.32Å; H686-S690 PolarHBondContact O-N 2.95Å; H686-S690 PolarHBondContact O-OG 3.03Å; A688-S690 VanDerWaalsContact C-N 3.32Å
691V84.1Confident82.5Confident23 Ų2348 Ų4814%0.13929%0.293CS..SBendtrans-90.3120.9177-176.80000109.9M640 P656 A687 A688 L689 A693M640-V691 HydrophobicContact CB-CG2 3.96Å; M640-V691 HydrophobicContact CE-CG2 4.4Å; P656-V691 HydrophobicContact CG-CB 4.22Å; P656-V691 HydrophobicContact CG-CG1 4.33Å; P656-V691 HydrophobicContact CG-CG2 4.44Å; A687-V691 WeakPolarHBondContact O-CG2 3.37Å; A688-V691 PolarHBondContact O-N 3.46Å; L689-V691 PolarHBondContact O-N 3.44Å; V691-A693 PolarHBondContact O-N 3.28Å
692E70.3Confident82.3Confident198 Ų19851.5 Ų51.593%0.92532%0.317SS*.  trans-55.6123.9176-65.2-178.6175.200111.4
693A63.5Low82.2Confident47 Ų4751.6 Ų51.639%0.38832%0.318SS..  trans-123116.4-176.200000110.7V691 H698V691-A693 PolarHBondContact O-N 3.28Å; A693-H698 WeakPolarHBondContact CB-NE2 3.28Å
694A56.7Low82Confident109 Ų10952.7 Ų52.790%0.90133%0.331SS*.  trans-85-24.5-173.800000117.5
695P62.5Low82Confident97 Ų9753 Ų5363%0.6333%0.333SS*.SBendtrans-98.6133.4-178.434.9-30.6000113.3P697P695-P697 CarbonylContact O-C 3.56Å
696S62.8Low81.9Confident105 Ų10553.5 Ų53.573%0.73434%0.335SS*.SBendtrans-85.1139.215957.60000110.4
697P78.1Confident81.9Confident91 Ų9152.9 Ų52.959%0.59134%0.338SS*.SBendcis-74.5143.9-1.829.8-34.7000112.8P695 L701 E756P695-P697 CarbonylContact O-C 3.56Å; P697-L701 HydrophobicContact CB-CD1 3.87Å; P697-E756 WeakPolarHBondContact CA-OE1 3.42Å; P697-E756 WeakPolarHBondContact CB-OE2 3.46Å
698H85.8Confident81.9Confident19 Ų1952 Ų529%0.08833%0.33CS..PPolyproline II helixtrans-61.1140.4-178.2-168.5-111000112.3A693 V700 L701 E756A693-H698 WeakPolarHBondContact CB-NE2 3.28Å; H698-V700 WeakPolarHBondContact ND1-CB 3.35Å; H698-V700 WeakPolarHBondContact ND1-CG2 3.43Å; H698-V700 PolarHBondContact O-N 3.04Å; H698-L701 PolarHBondContact O-N 2.74Å; H698-E756 HydrophobicContact CB-CG 4.34Å; H698-E756 PolarHBondContact N-OE1 3.32Å
699W88.1Confident81.9Confident37 Ų3752 Ų5214%0.1433%0.33CS..G310 helixtrans-56.6-25.9-17263.7-97.6000114.2P656 Q657 V660 A688 L689 L701 S702P656-W699 HydrophobicContact CB-CD2 3.98Å; P656-W699 HydrophobicContact CB-CE3 4.31Å; P656-W699 HydrophobicContact CB-CH2 3.96Å; P656-W699 HydrophobicContact CB-CZ2 3.58Å; P656-W699 HydrophobicContact CB-CZ3 4.3Å; Q657-W699 HydrophobicContact CB-CB 4.38Å; Q657-W699 HydrophobicContact CB-CD2 4.48Å; Q657-W699 HydrophobicContact CB-CE3 3.84Å; Q657-W699 HydrophobicContact CG-CE3 4.48Å; V660-W699 HydrophobicContact CB-CZ3 4.33Å; V660-W699 HydrophobicContact CG2-CH2 3.9Å; V660-W699 HydrophobicContact CG2-CZ3 3.86Å; A688-W699 HydrophobicContact CB-CH2 4.18Å; A688-W699 HydrophobicContact CB-CZ2 4.49Å; A688-W699 WeakPolarHBondContact O-CZ2 3.38Å; L689-W699 HydrophobicContact CD2-CH2 4Å; L689-W699 HydrophobicContact CD2-CZ2 4.02Å; W699-L701 PolarHBondContact O-N 3.3Å; W699-S702 WeakPolarHBondContact O-CB 3.36Å; W699-S702 PolarHBondContact O-N 3.48Å
700V88Confident82.1Confident4 Ų452.5 Ų52.52%0.02433%0.331CS..G310 helixtrans-53.8-32.1175.51600000113.1L689 H698 S702 C703 P705 L749 V753L689-V700 HydrophobicContact CD2-CG2 3.66Å; H698-V700 WeakPolarHBondContact ND1-CB 3.35Å; H698-V700 WeakPolarHBondContact ND1-CG2 3.43Å; H698-V700 PolarHBondContact O-N 3.04Å; V700-S702 PolarHBondContact O-N 2.96Å; V700-S702 VanDerWaalsContact O-N 3.16Å; V700-C703 WeakPolarHBondContact O-CB 3.24Å; V700-C703 PolarHBondContact O-N 2.89Å; V700-P705 HydrophobicContact CG1-CB 4.08Å; V700-L749 HydrophobicContact CG1-CD1 3.52Å; V700-L749 HydrophobicContact CG2-CD1 4.13Å; V700-V753 HydrophobicContact CG1-CG2 3.76Å
701L87.3Confident82.2Confident36 Ų3650.9 Ų50.919%0.18832%0.319CS..G310 helixtrans-61.7-25.9178.2-58.7-165.9000112.2P697 H698 W699 C703 P705 E756 W764P697-L701 HydrophobicContact CB-CD1 3.87Å; H698-L701 PolarHBondContact O-N 2.74Å; W699-L701 PolarHBondContact O-N 3.3Å; L701-C703 VanDerWaalsContact C-N 3.27Å; L701-C703 PolarHBondContact O-N 2.83Å; L701-P705 HydrophobicContact CD2-CG 3.97Å; L701-P705 WeakPolarHBondContact O-CD 3.22Å; L701-E756 HydrophobicContact CD1-CB 4.15Å; L701-E756 HydrophobicContact CD1-CG 4.06Å; L701-E756 HydrophobicContact CD2-CB 4.15Å; L701-E756 HydrophobicContact CD2-CG 4.18Å; L701-E756 HydrophobicContact CG-CG 4.24Å; L701-W764 HydrophobicContact CD1-CH2 4.06Å; L701-W764 HydrophobicContact CD1-CZ2 3.75Å
702S85.1Confident82.5Confident72 Ų7249.8 Ų49.850%0.50331%0.312SS..G310 helixtrans-86.212.2175.8-54.10000114.2Q657 N661 W699 V700Q657-S702 VanDerWaalsContact CD-CB 3.49Å; N661-S702 PolarHBondContact ND2-O 3.39Å; W699-S702 WeakPolarHBondContact O-CB 3.36Å; W699-S702 PolarHBondContact O-N 3.48Å; V700-S702 PolarHBondContact O-N 2.96Å; V700-S702 VanDerWaalsContact O-N 3.16Å
703C87.1Confident83.5Confident2 Ų240.4 Ų40.41%0.01427%0.268CS..G310 helixtrans-118.317.1176.4-70.40000113.3V660 N661 V700 L701V660-C703 HydrophobicContact CG1-CB 4.05Å; N661-C703 PolarHBondContact OD1-SG 3.24Å; V700-C703 WeakPolarHBondContact O-CB 3.24Å; V700-C703 PolarHBondContact O-N 2.89Å; L701-C703 VanDerWaalsContact C-N 3.27Å; L701-C703 PolarHBondContact O-N 2.83Å
704S87.4Confident84.6Confident75 Ų7541.4 Ų41.452%0.52427%0.265SS..  trans5867.9-176.1-60.60000113.1F706 P707 L708S704-F706 PolarHBondContact O-N 3.34Å; S704-P707 WeakPolarHBondContact O-CD 3.28Å; S704-L708 PolarHBondContact O-N 3.04Å; S704-L708 VanDerWaalsContact O-N 3.15Å
705P90.3Very high86Confident8 Ų836.9 Ų36.95%0.05223%0.225CC..Hα-helixtrans-61.1-44.7-167.721.8-34000114.7V700 L701 L708 L709 V753V700-P705 HydrophobicContact CG1-CB 4.08Å; L701-P705 HydrophobicContact CD2-CG 3.97Å; L701-P705 WeakPolarHBondContact O-CD 3.22Å; P705-L708 PolarHBondContact O-N 3.11Å; P705-L709 WeakPolarHBondContact O-CB 3.44Å; P705-L709 WeakPolarHBondContact O-CG 3.42Å; P705-L709 PolarHBondContact O-N 2.78Å; P705-V753 HydrophobicContact CB-CG1 4.33Å; P705-V753 HydrophobicContact CB-CG2 3.56Å
706F92Very high87.1Confident12 Ų1232.3 Ų32.35%0.05320%0.195CC..Hα-helixtrans-65.7-46.1-176.9-58-96.3000112.7S704 L708 L709 F710 V753 I757 W764 A767 L768 W770 L771S704-F706 PolarHBondContact O-N 3.34Å; F706-L708 VanDerWaalsContact C-N 3.32Å; F706-L708 PolarHBondContact O-N 3.5Å; F706-L709 PolarHBondContact O-N 3.42Å; F706-F710 PolarHBondContact O-N 3.44Å; F706-V753 HydrophobicContact CZ-CG1 4.38Å; F706-I757 HydrophobicContact CE1-CD1 3.82Å; F706-I757 HydrophobicContact CZ-CD1 3.75Å; F706-I757 HydrophobicContact CZ-CG1 4.25Å; F706-W764 HydrophobicContact CE2-CD2 4.38Å; F706-W764 AromaticContact CE2-CE3 3.6Å; F706-W764 HydrophobicContact CE2-CE3 3.6Å; F706-W764 AromaticContact CE2-CZ3 3.96Å; F706-W764 HydrophobicContact CE2-CZ3 3.96Å; F706-W764 HydrophobicContact CZ-CB 4.26Å; F706-W764 HydrophobicContact CZ-CD2 4.31Å; F706-W764 AromaticContact CZ-CE3 3.91Å; F706-W764 HydrophobicContact CZ-CE3 3.91Å; F706-W764 HydrophobicContact CZ-CG 4.49Å; F706-A767 HydrophobicContact CD1-CB 3.93Å; F706-A767 HydrophobicContact CD2-CB 3.75Å; F706-A767 HydrophobicContact CE1-CB 3.83Å; F706-A767 HydrophobicContact CE2-CB 3.67Å; F706-A767 HydrophobicContact CG-CB 3.9Å; F706-A767 HydrophobicContact CZ-CB 3.71Å; F706-L768 HydrophobicContact CE1-CG 4.47Å; F706-W770 HydrophobicContact CB-CE3 4.22Å; F706-W770 HydrophobicContact CB-CZ3 4.04Å; F706-L771 HydrophobicContact CD1-CB 4.26Å; F706-L771 HydrophobicContact CD1-CD2 4.03Å
707P91.1Very high88.2Confident64 Ų6428.9 Ų28.942%0.41617%0.169SC..Hα-helixtrans-57.1-39.5168.1-29.336.1000114.4S704 F710 V711 W770S704-P707 WeakPolarHBondContact O-CD 3.28Å; P707-F710 PolarHBondContact O-N 3.33Å; P707-V711 WeakPolarHBondContact O-CG2 3.37Å; P707-V711 PolarHBondContact O-N 2.93Å; P707-W770 HydrophobicContact CG-CH2 4.43Å
708L91Very high88.2Confident9 Ų928.1 Ų28.15%0.04716%0.158CC..Hα-helixtrans-66.6-45.8178.9-178.258.3000111.7L665 L668 L685 S704 P705 F706 F710 V711 L712 L749L665-L708 HydrophobicContact CD2-CD1 3.95Å; L665-L708 HydrophobicContact CD2-CD2 4.37Å; L668-L708 HydrophobicContact CD1-CD1 3.7Å; L685-L708 HydrophobicContact CD1-CD2 4.36Å; L685-L708 HydrophobicContact CD2-CD1 4.18Å; L685-L708 HydrophobicContact CD2-CD2 4.2Å; S704-L708 PolarHBondContact O-N 3.04Å; S704-L708 VanDerWaalsContact O-N 3.15Å; P705-L708 PolarHBondContact O-N 3.11Å; F706-L708 VanDerWaalsContact C-N 3.32Å; F706-L708 PolarHBondContact O-N 3.5Å; L708-F710 VanDerWaalsContact C-N 3.29Å; L708-F710 PolarHBondContact O-N 2.95Å; L708-V711 PolarHBondContact O-N 3.47Å; L708-L712 HydrophobicContact CD1-CD1 4.15Å; L708-L712 HydrophobicContact CD1-CG 4.29Å; L708-L712 HydrophobicContact CG-CD1 3.99Å; L708-L712 WeakPolarHBondContact O-CB 3.29Å; L708-L712 WeakPolarHBondContact O-CD1 3.36Å; L708-L712 VanDerWaalsContact O-CG 3.23Å; L708-L712 WeakPolarHBondContact O-CG 3.39Å; L708-L712 PolarHBondContact O-N 2.87Å; L708-L749 HydrophobicContact CB-CD2 4.33Å; L708-L749 HydrophobicContact CD2-CD1 4.44Å; L708-L749 HydrophobicContact CD2-CD2 3.81Å; L708-L749 HydrophobicContact CG-CD2 3.74Å
709L93Very high87.6Confident0 Ų027.4 Ų27.40%016%0.155CC..Hα-helixtrans-55.6-43.2172.3-74.6165.2000111.4P705 F706 A713 L746 L749 V753 L771 L786 V789P705-L709 WeakPolarHBondContact O-CB 3.44Å; P705-L709 WeakPolarHBondContact O-CG 3.42Å; P705-L709 PolarHBondContact O-N 2.78Å; F706-L709 PolarHBondContact O-N 3.42Å; L709-A713 VanDerWaalsContact O-CB 3.27Å; L709-A713 WeakPolarHBondContact O-CB 3.44Å; L709-A713 PolarHBondContact O-N 3.34Å; L709-L746 HydrophobicContact CD2-CD1 4.08Å; L709-L749 HydrophobicContact CD2-CB 4.14Å; L709-L749 HydrophobicContact CD2-CD2 3.71Å; L709-L749 HydrophobicContact CD2-CG 3.78Å; L709-L749 HydrophobicContact CG-CD2 3.87Å; L709-L749 HydrophobicContact CG-CG 4.18Å; L709-V753 HydrophobicContact CD1-CB 4.17Å; L709-V753 HydrophobicContact CD1-CG1 3.94Å; L709-V753 HydrophobicContact CD1-CG2 4.23Å; L709-L771 HydrophobicContact CB-CD2 4.14Å; L709-L771 HydrophobicContact CD1-CD2 4.11Å; L709-L786 HydrophobicContact CB-CD2 4.25Å; L709-L786 HydrophobicContact CD2-CD2 3.78Å; L709-L786 HydrophobicContact CG-CD2 4.47Å; L709-V789 HydrophobicContact CD1-CG1 4.39Å; L709-V789 HydrophobicContact CD1-CG2 4.01Å; L709-V789 HydrophobicContact CD2-CG2 4.44Å
710F92.1Very high86.5Confident22 Ų2227.8 Ų27.810%0.09616%0.157CC..Hα-helixtrans-64.6-45.9177.6-177.9-122.1000112.8F706 P707 L708 L712 A713 Q714 W770 L771 K774 L778F706-F710 PolarHBondContact O-N 3.44Å; P707-F710 PolarHBondContact O-N 3.33Å; L708-F710 VanDerWaalsContact C-N 3.29Å; L708-F710 PolarHBondContact O-N 2.95Å; F710-L712 VanDerWaalsContact C-N 3.34Å; F710-L712 PolarHBondContact O-N 3.24Å; F710-A713 WeakPolarHBondContact O-CB 3.38Å; F710-A713 PolarHBondContact O-N 2.9Å; F710-Q714 HydrophobicContact CD1-CG 4.49Å; F710-Q714 HydrophobicContact CD2-CG 4.28Å; F710-Q714 VanDerWaalsContact CE1-CD 3.42Å; F710-Q714 HydrophobicContact CE1-CG 4.08Å; F710-Q714 HydrophobicContact CE2-CG 3.83Å; F710-Q714 VanDerWaalsContact CZ-CD 3.42Å; F710-Q714 HydrophobicContact CZ-CG 3.74Å; F710-Q714 VanDerWaalsContact CZ-NE2 3.29Å; F710-Q714 WeakPolarHBondContact O-CG 3.27Å; F710-Q714 PolarHBondContact O-N 3.11Å; F710-W770 HydrophobicContact CB-CH2 4.28Å; F710-W770 HydrophobicContact CB-CZ3 4.47Å; F710-W770 HydrophobicContact CD1-CH2 4.43Å; F710-L771 HydrophobicContact CB-CD1 3.69Å; F710-L771 HydrophobicContact CD2-CD1 4.49Å; F710-L771 HydrophobicContact CG-CD1 4.49Å; F710-K774 HydrophobicContact CD2-CB 3.86Å; F710-K774 HydrophobicContact CE1-CD 3.96Å; F710-K774 HydrophobicContact CE2-CB 3.7Å; F710-K774 HydrophobicContact CE2-CD 4.07Å; F710-K774 HydrophobicContact CE2-CG 4.4Å; F710-K774 VanDerWaalsContact CE2-O 3.29Å; F710-K774 WeakPolarHBondContact CE2-O 3.31Å; F710-K774 HydrophobicContact CG-CB 4.43Å; F710-K774 HydrophobicContact CZ-CB 4.12Å; F710-K774 HydrophobicContact CZ-CD 3.6Å; F710-K774 HydrophobicContact CZ-CG 4.33Å; F710-L778 HydrophobicContact CD2-CD1 4.44Å; F710-L778 HydrophobicContact CE2-CD1 4.02Å
711V89.7Confident85.4Confident39 Ų3933.8 Ų33.824%0.23618%0.179CC..Hα-helixtrans-64.2-39.5178.9171.30000111.4L668 P707 L708 Q714 L715L668-V711 HydrophobicContact CB-CG1 4.18Å; P707-V711 WeakPolarHBondContact O-CG2 3.37Å; P707-V711 PolarHBondContact O-N 2.93Å; L708-V711 PolarHBondContact O-N 3.47Å; V711-Q714 PolarHBondContact O-N 3.21Å; V711-L715 HydrophobicContact CG1-CD1 4.33Å; V711-L715 WeakPolarHBondContact O-CG 3.24Å; V711-L715 PolarHBondContact O-N 3.32Å
712L90.5Very high84.4Confident0 Ų033.6 Ų33.60%018%0.18CC..Hα-helixtrans-65.1-40.1174.7-66.7166.1000111.9L668 L682 L685 L708 F710 L715 Y716 L742 V745 L746 L749L668-L712 HydrophobicContact CD1-CD2 4.45Å; L682-L712 HydrophobicContact CD2-CD2 3.38Å; L685-L712 HydrophobicContact CD2-CD1 4.12Å; L685-L712 HydrophobicContact CD2-CD2 4.27Å; L708-L712 HydrophobicContact CD1-CD1 4.15Å; L708-L712 HydrophobicContact CD1-CG 4.29Å; L708-L712 HydrophobicContact CG-CD1 3.99Å; L708-L712 WeakPolarHBondContact O-CB 3.29Å; L708-L712 WeakPolarHBondContact O-CD1 3.36Å; L708-L712 VanDerWaalsContact O-CG 3.23Å; L708-L712 WeakPolarHBondContact O-CG 3.39Å; L708-L712 PolarHBondContact O-N 2.87Å; F710-L712 VanDerWaalsContact C-N 3.34Å; F710-L712 PolarHBondContact O-N 3.24Å; L712-L715 PolarHBondContact O-N 2.91Å; L712-Y716 PolarHBondContact O-N 3.32Å; L712-L742 HydrophobicContact CB-CD1 4.05Å; L712-L742 HydrophobicContact CD2-CD1 3.56Å; L712-L742 HydrophobicContact CG-CD1 4.41Å; L712-V745 HydrophobicContact CD1-CG1 3.89Å; L712-V745 HydrophobicContact CD2-CG1 4.03Å; L712-L746 HydrophobicContact CB-CD1 3.97Å; L712-L749 HydrophobicContact CD1-CD2 3.53Å
713A91Very high83.6Confident0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-63.1-41.1173.300000112.7L709 F710 Y716 N717 L778 V782 L786L709-A713 VanDerWaalsContact O-CB 3.27Å; L709-A713 WeakPolarHBondContact O-CB 3.44Å; L709-A713 PolarHBondContact O-N 3.34Å; F710-A713 WeakPolarHBondContact O-CB 3.38Å; F710-A713 PolarHBondContact O-N 2.9Å; A713-Y716 PolarHBondContact O-N 3.04Å; A713-N717 WeakPolarHBondContact O-CB 3.31Å; A713-N717 PolarHBondContact O-N 3.24Å; A713-L778 HydrophobicContact CB-CD1 4.05Å; A713-V782 HydrophobicContact CB-CG1 3.6Å; A713-L786 HydrophobicContact CB-CD1 4.35Å
714Q88.1Confident82.7Confident68 Ų6836.6 Ų36.632%0.31819%0.185SC..Hα-helixtrans-62.5-42.1173.6-72.5-172.5-54.300112.2F710 V711 Y716 N717 Q718 L778F710-Q714 HydrophobicContact CD1-CG 4.49Å; F710-Q714 HydrophobicContact CD2-CG 4.28Å; F710-Q714 VanDerWaalsContact CE1-CD 3.42Å; F710-Q714 HydrophobicContact CE1-CG 4.08Å; F710-Q714 HydrophobicContact CE2-CG 3.83Å; F710-Q714 VanDerWaalsContact CZ-CD 3.42Å; F710-Q714 HydrophobicContact CZ-CG 3.74Å; F710-Q714 VanDerWaalsContact CZ-NE2 3.29Å; F710-Q714 WeakPolarHBondContact O-CG 3.27Å; F710-Q714 PolarHBondContact O-N 3.11Å; V711-Q714 PolarHBondContact O-N 3.21Å; Q714-Y716 VanDerWaalsContact C-N 3.33Å; Q714-N717 PolarHBondContact O-N 2.91Å; Q714-Q718 VanDerWaalsContact O-CG 3.32Å; Q714-Q718 WeakPolarHBondContact O-CG 3.45Å; Q714-Q718 PolarHBondContact O-N 3.33Å; Q714-L778 HydrophobicContact CG-CD1 4.3Å; Q714-L778 HydrophobicContact CG-CD2 4.1Å
715L85.2Confident81.2Confident14 Ų1442.2 Ų42.27%0.07320%0.202CC..Hα-helixtrans-65.1-35.5175.4-70.8169.8000112L668 T678 V711 L712 Q718 A719 V731 L733 L742L668-L715 HydrophobicContact CD2-CD1 4.16Å; T678-L715 HydrophobicContact CG2-CD1 4.06Å; T678-L715 HydrophobicContact CG2-CD2 4.37Å; V711-L715 HydrophobicContact CG1-CD1 4.33Å; V711-L715 WeakPolarHBondContact O-CG 3.24Å; V711-L715 PolarHBondContact O-N 3.32Å; L712-L715 PolarHBondContact O-N 2.91Å; L715-Q718 PolarHBondContact O-N 3.06Å; L715-A719 WeakPolarHBondContact O-CB 3.3Å; L715-A719 PolarHBondContact O-N 2.68Å; L715-V731 HydrophobicContact CD2-CG1 4.48Å; L715-L733 HydrophobicContact CD2-CD1 4.06Å; L715-L742 HydrophobicContact CB-CD2 3.68Å
716Y85.9Confident79.6Confident1 Ų145.6 Ų45.60%0.00423%0.225CC..Hα-helixtrans-69.5-43.5176.8176.5-92.9000111.4L712 A713 Q714 Q718 A719 Y720 K739 V743 V782 H785L712-Y716 PolarHBondContact O-N 3.32Å; A713-Y716 PolarHBondContact O-N 3.04Å; Q714-Y716 VanDerWaalsContact C-N 3.33Å; Y716-Q718 VanDerWaalsContact C-N 3.25Å; Y716-Q718 PolarHBondContact O-N 3.23Å; Y716-A719 CarbonylContact O-C 3.18Å; Y716-A719 WeakPolarHBondContact O-CA 3.43Å; Y716-A719 WeakPolarHBondContact O-CB 3.43Å; Y716-A719 PolarHBondContact O-N 3.22Å; Y716-Y720 PolarHBondContact O-N 3.43Å; Y716-K739 HydrophobicContact CE2-CG 4.23Å; Y716-V743 HydrophobicContact CD2-CG2 3.71Å; Y716-V743 HydrophobicContact CE2-CG2 3.35Å; Y716-V782 HydrophobicContact CD1-CG2 4.07Å; Y716-H785 AromaticContact CE1-CD2 3.65Å; Y716-H785 AromaticContact CE1-NE2 3.57Å; Y716-H785 AromaticContact CE2-NE2 3.76Å; Y716-H785 AromaticContact CZ-CD2 3.74Å; Y716-H785 AromaticContact CZ-NE2 3.19Å; Y716-H785 PolarHBondContact OH-NE2 3.32Å
717N85.3Confident77.8Confident34 Ų3448.9 Ų48.918%0.18225%0.254CS..Hα-helixtrans-57.5-38.2173.6-177.180.7000112A713 Q714 L778 D779 V782A713-N717 WeakPolarHBondContact O-CB 3.31Å; A713-N717 PolarHBondContact O-N 3.24Å; Q714-N717 PolarHBondContact O-N 2.91Å; N717-L778 HydrophobicContact CB-CD2 4.15Å; N717-D779 VanDerWaalsContact OD1-CB 3.28Å; N717-D779 WeakPolarHBondContact OD1-CB 3.41Å; N717-D779 PolarHBondContact OD1-N 3.34Å; N717-V782 HydrophobicContact CB-CG2 4.22Å
718Q77.9Confident75.8Confident75 Ų7555.2 Ų55.235%0.3528%0.278SS..Hα-helixtrans-69.5-40.2172.8-69.7167.417.400112.1Q714 L715 Y716 Y720 R721Q714-Q718 VanDerWaalsContact O-CG 3.32Å; Q714-Q718 WeakPolarHBondContact O-CG 3.45Å; Q714-Q718 PolarHBondContact O-N 3.33Å; L715-Q718 PolarHBondContact O-N 3.06Å; Y716-Q718 VanDerWaalsContact C-N 3.25Å; Y716-Q718 PolarHBondContact O-N 3.23Å; Q718-Y720 PolarHBondContact O-N 3.29Å; Q718-R721 PolarHBondContact O-N 2.79Å; Q718-R721 VanDerWaalsContact O-N 3.13Å
719A74.5Confident73.7Confident4 Ų465.8 Ų65.83%0.03332%0.317CS..Hα-helixtrans-67.8-14.4176.900000114.4L715 Y716 R721 L733 K739L715-A719 WeakPolarHBondContact O-CB 3.3Å; L715-A719 PolarHBondContact O-N 2.68Å; Y716-A719 CarbonylContact O-C 3.18Å; Y716-A719 WeakPolarHBondContact O-CA 3.43Å; Y716-A719 WeakPolarHBondContact O-CB 3.43Å; Y716-A719 PolarHBondContact O-N 3.22Å; A719-R721 VanDerWaalsContact C-N 3.28Å; A719-L733 HydrophobicContact CB-CB 4.35Å; A719-L733 HydrophobicContact CB-CD2 3.9Å; A719-K739 HydrophobicContact CB-CB 4.38Å; A719-K739 HydrophobicContact CB-CG 4.33Å
720Y64.2Low71.8Confident45 Ų4568 Ų6818%0.17634%0.335CS..THydrogen-bonded Turntrans-68-30.6171-154.7-93.7000111.9Y716 Q718 C722 E832Y716-Y720 PolarHBondContact O-N 3.43Å; Q718-Y720 PolarHBondContact O-N 3.29Å; Y720-C722 PolarHBondContact O-N 3.23Å; Y720-E832 PolarHBondContact OH-OE1 3.48Å
721R65.7Low69.9Low129 Ų12970 Ų7049%0.48735%0.349SS..THydrogen-bonded Turntrans-97.728.3-174.9-64.9168.8175.2-98.10.9113.2Q718 A719 W723 E724Q718-R721 PolarHBondContact O-N 2.79Å; Q718-R721 VanDerWaalsContact O-N 3.13Å; A719-R721 VanDerWaalsContact C-N 3.28Å; R721-W723 PolarHBondContact O-N 2.14Å; R721-E724 HydrophobicContact CB-CB 4.3Å; R721-E724 HydrophobicContact CB-CG 4.05Å; R721-E724 WeakPolarHBondContact CB-OE2 3.41Å; R721-E724 WeakPolarHBondContact CD-OE2 3.39Å; R721-E724 HydrophobicContact CG-CG 4.46Å; R721-E724 VanDerWaalsContact CG-OE2 3.27Å; R721-E724 WeakPolarHBondContact CG-OE2 3.48Å; R721-E724 IonicContact CZ-OE2 2.66Å; R721-E724 IonicContact NE-OE2 3.57Å; R721-E724 IonicContact NH1-OE1 3.71Å; R721-E724 PolarHBondContact NH1-OE1 2.81Å; R721-E724 IonicContact NH1-OE2 3.93Å; R721-E724 PolarHBondContact NH1-OE2 2.91Å; R721-E724 PolarHBondContact O-N 3.47Å
722C65.8Low68.2Low32 Ų3273.1 Ų73.122%0.21636%0.361CS..THydrogen-bonded Turntrans-61.1-14.6-168.857.50000116.4Y720 M736Y720-C722 PolarHBondContact O-N 3.23Å; C722-M736 WeakPolarHBondContact SG-CE 3.37Å
723W68.6Low66.6Low38 Ų3874.1 Ų74.114%0.14437%0.366CS..THydrogen-bonded Turntrans-109.5-3.2176.5-43.5128.9000113.7R721 M736 P874 W875 L943 D946 G947 H950R721-W723 PolarHBondContact O-N 2.14Å; W723-M736 HydrophobicContact CZ2-CE 3.78Å; W723-P874 PolarHBondContact NE1-O 3.4Å; W723-W875 HydrophobicContact CB-CH2 3.77Å; W723-W875 HydrophobicContact CB-CZ3 3.7Å; W723-W875 AromaticContact CD1-CD2 3.99Å; W723-W875 AromaticContact CD1-CE3 3.44Å; W723-W875 VanDerWaalsContact CD1-CE3 3.44Å; W723-W875 AromaticContact CD1-CH2 3.84Å; W723-W875 AromaticContact CD1-CZ3 3.38Å; W723-W875 HydrophobicContact CG-CE3 4.24Å; W723-W875 HydrophobicContact CG-CH2 4.2Å; W723-W875 AromaticContact CG-CZ3 3.79Å; W723-W875 HydrophobicContact CG-CZ3 3.79Å; W723-L943 HydrophobicContact CB-CD2 4.15Å; W723-L943 HydrophobicContact CD2-CD2 4.35Å; W723-L943 HydrophobicContact CG-CD2 3.69Å; W723-D946 HydrophobicContact CZ3-CB 4.09Å; W723-G947 VanDerWaalsContact CZ2-CA 3.48Å; W723-H950 HydrophobicContact CH2-CB 4.2Å; W723-H950 HydrophobicContact CZ2-CB 4.05Å
724E66.5Low65.1Low100 Ų10083.1 Ų83.147%0.46740%0.4SS..SBendtrans-77150.6171.4-60.4-172.9159.400110.7R721 P726 W875R721-E724 HydrophobicContact CB-CB 4.3Å; R721-E724 HydrophobicContact CB-CG 4.05Å; R721-E724 WeakPolarHBondContact CB-OE2 3.41Å; R721-E724 WeakPolarHBondContact CD-OE2 3.39Å; R721-E724 HydrophobicContact CG-CG 4.46Å; R721-E724 VanDerWaalsContact CG-OE2 3.27Å; R721-E724 WeakPolarHBondContact CG-OE2 3.48Å; R721-E724 IonicContact CZ-OE2 2.66Å; R721-E724 IonicContact NE-OE2 3.57Å; R721-E724 IonicContact NH1-OE1 3.71Å; R721-E724 PolarHBondContact NH1-OE1 2.81Å; R721-E724 IonicContact NH1-OE2 3.93Å; R721-E724 PolarHBondContact NH1-OE2 2.91Å; R721-E724 PolarHBondContact O-N 3.47Å; E724-P726 WeakPolarHBondContact O-CD 3.3Å; E724-W875 HydrophobicContact CG-CH2 4.43Å
725E57Low64.4Low192 Ų19282 Ų8290%0.89740%0.399SS*.PPolyproline II helixtrans-69123.1171-71.6-161.2141.900110.5
726P55.8Low64.2Low80 Ų8081.7 Ų81.752%0.51940%0.398SS..PPolyproline II helixtrans-73.7136-177.228.7-33.8000111.5E724 A730E724-P726 WeakPolarHBondContact O-CD 3.3Å; P726-A730 HydrophobicContact CB-CB 4.09Å
727A55.3Low64Low81 Ų8187 Ų8767%0.66943%0.426SS*.PPolyproline II helixtrans-57149.7163.700000110.7R729 A730A727-R729 PolarHBondContact O-N 3.29Å; A727-A730 PolarHBondContact O-N 3.16Å
728E47.9Very low63.8Low197 Ų19785.7 Ų85.792%0.92142%0.419SS*.THydrogen-bonded Turntrans-56.66.2-165.9-55.5-178.3137.800117.7
729R47.4Very low64.1Low231 Ų23182.2 Ų82.287%0.87240%0.403SS*.THydrogen-bonded Turntrans-139.58.4-178-56.3-176-171.41655.2114.5A727A727-R729 PolarHBondContact O-N 3.29Å
730A53.3Low64.8Low45 Ų4584.6 Ų84.637%0.37241%0.414SS..  trans-80.4139.3-178.400000112.5P726 A727P726-A730 HydrophobicContact CB-CB 4.09Å; A727-A730 PolarHBondContact O-N 3.16Å
731V52.4Low66Low65 Ų6584 Ų8439%0.39441%0.414SS..  trans-74.4135.3179.2178.10000110.2L715 L733L715-V731 HydrophobicContact CD2-CG1 4.48Å; V731-L733 PolarHBondContact O-N 2.94Å
732H53.4Low67.1Low105 Ų10577.9 Ų77.949%0.48639%0.39SS..  trans-80.7105.8-176.7-72.9-23.3000113.4R734H732-R734 HydrophobicContact CB-CG 4.2Å; H732-R734 PolarHBondContact CD2-NH2 2.81Å; H732-R734 PolarHBondContact CE1-NH2 2.93Å; H732-R734 PolarHBondContact NE2-NH2 3.21Å
733L56.8Low68.2Low20 Ų2078 Ų7811%0.10539%0.39CS..  trans-98.2112.7147.2-92.673.1000108.1T678 L715 A719 V731 T738 L742T678-L733 HydrophobicContact CG2-CD1 4.11Å; L715-L733 HydrophobicContact CD2-CD1 4.06Å; A719-L733 HydrophobicContact CB-CB 4.35Å; A719-L733 HydrophobicContact CB-CD2 3.9Å; V731-L733 PolarHBondContact O-N 2.94Å; L733-T738 HydrophobicContact CD2-CG2 3.78Å; L733-T738 HydrophobicContact CG-CG2 3.92Å; L733-L742 HydrophobicContact CD2-CD2 3.92Å
734R59.7Low69.3Low190 Ų19078 Ų7872%0.71740%0.396SS*.  trans-113.71.4-177.7-65.8-173.2-174.9-1545.8114.7H732H732-R734 HydrophobicContact CB-CG 4.2Å; H732-R734 PolarHBondContact CD2-NH2 2.81Å; H732-R734 PolarHBondContact CE1-NH2 2.93Å; H732-R734 PolarHBondContact NE2-NH2 3.21Å
735S73.8Confident70.6Confident43 Ų4373.2 Ų73.230%0.30137%0.374SS..  trans-121.9140.9173-173.60000112.2D737 T738 K739S735-D737 PolarHBondContact O-N 2.94Å; S735-D737 VanDerWaalsContact OG-CG 3.27Å; S735-D737 PolarHBondContact OG-N 2.56Å; S735-D737 VanDerWaalsContact OG-N 3.11Å; S735-D737 PolarHBondContact OG-OD2 3.07Å; S735-T738 WeakPolarHBondContact O-CB 3.22Å; S735-T738 PolarHBondContact O-N 2.93Å; S735-K739 PolarHBondContact O-N 3.27Å
736M80.5Confident72.2Confident9 Ų964.1 Ų64.14%0.04433%0.331CS..Hα-helixtrans-66.4-25.8169.6-70.9-73.1-162.100112.1C722 W723 T738 K739 E740 W875C722-M736 WeakPolarHBondContact SG-CE 3.37Å; W723-M736 HydrophobicContact CZ2-CE 3.78Å; M736-T738 VanDerWaalsContact C-N 3.26Å; M736-T738 PolarHBondContact O-N 3.29Å; M736-K739 WeakPolarHBondContact O-CA 3.4Å; M736-K739 WeakPolarHBondContact O-CB 3.27Å; M736-K739 PolarHBondContact O-N 2.98Å; M736-K739 VanDerWaalsContact O-N 3.07Å; M736-K739 HydrophobicContact SD-CD 3.75Å; M736-E740 PolarHBondContact O-N 2.88Å; M736-W875 WeakPolarHBondContact CE-O 3.47Å
737D81.5Confident73.9Confident111 Ų11162.1 Ų62.159%0.59432%0.318SS*.Hα-helixtrans-64-36.8174.2-41.6-48.1000110.4S735 K739 E740 L741S735-D737 PolarHBondContact O-N 2.94Å; S735-D737 VanDerWaalsContact OG-CG 3.27Å; S735-D737 PolarHBondContact OG-N 2.56Å; S735-D737 VanDerWaalsContact OG-N 3.11Å; S735-D737 PolarHBondContact OG-OD2 3.07Å; D737-K739 VanDerWaalsContact C-N 3.33Å; D737-E740 PolarHBondContact O-N 3Å; D737-L741 WeakPolarHBondContact O-CB 3.49Å; D737-L741 PolarHBondContact O-N 2.87Å
738T81.4Confident75.6Confident7 Ų760.1 Ų60.14%0.04330%0.297CS..Hα-helixtrans-68.3-32.5173.5-37.90000111.7E679 L682 L733 S735 M736 L742E679-T738 HydrophobicContact CB-CG2 4.17Å; E679-T738 HydrophobicContact CG-CG2 3.96Å; L682-T738 HydrophobicContact CD1-CG2 3.94Å; L733-T738 HydrophobicContact CD2-CG2 3.78Å; L733-T738 HydrophobicContact CG-CG2 3.92Å; S735-T738 WeakPolarHBondContact O-CB 3.22Å; S735-T738 PolarHBondContact O-N 2.93Å; M736-T738 VanDerWaalsContact C-N 3.26Å; M736-T738 PolarHBondContact O-N 3.29Å; T738-L742 WeakPolarHBondContact O-CB 3.4Å; T738-L742 PolarHBondContact O-N 3.19Å
739K84.9Confident77.7Confident2 Ų250.8 Ų50.81%0.00925%0.253CS..Hα-helixtrans-65.4-42.4173-178.6178.8177.1172.70111.2Y716 A719 S735 M736 D737 L742 V743 W875Y716-K739 HydrophobicContact CE2-CG 4.23Å; A719-K739 HydrophobicContact CB-CB 4.38Å; A719-K739 HydrophobicContact CB-CG 4.33Å; S735-K739 PolarHBondContact O-N 3.27Å; M736-K739 WeakPolarHBondContact O-CA 3.4Å; M736-K739 WeakPolarHBondContact O-CB 3.27Å; M736-K739 PolarHBondContact O-N 2.98Å; M736-K739 VanDerWaalsContact O-N 3.07Å; M736-K739 HydrophobicContact SD-CD 3.75Å; D737-K739 VanDerWaalsContact C-N 3.33Å; K739-L742 PolarHBondContact O-N 3.39Å; K739-V743 WeakPolarHBondContact O-CG2 3.37Å; K739-V743 PolarHBondContact O-N 2.95Å; K739-W875 PolarHBondContact NZ-O 3.44Å
740E87.9Confident79.9Confident54 Ų5439.8 Ų39.825%0.25221%0.212SC..Hα-helixtrans-66.9-44.8175.7-59.8-151.6128.100112.5M736 D737 L742 V743 S744 S877 V878 S879M736-E740 PolarHBondContact O-N 2.88Å; D737-E740 PolarHBondContact O-N 3Å; E740-L742 VanDerWaalsContact C-N 3.28Å; E740-L742 PolarHBondContact O-N 3.48Å; E740-V743 PolarHBondContact O-N 3.42Å; E740-S744 PolarHBondContact O-N 3.33Å; E740-S877 WeakPolarHBondContact CG-OG 3.27Å; E740-S877 WeakPolarHBondContact OE1-CB 3.37Å; E740-S877 PolarHBondContact OE1-OG 2.97Å; E740-V878 PolarHBondContact OE1-N 3.42Å; E740-S879 VanDerWaalsContact OE1-CB 3.27Å; E740-S879 WeakPolarHBondContact OE1-CB 3.41Å; E740-S879 PolarHBondContact OE1-N 3.48Å; E740-S879 PolarHBondContact OE1-OG 3.11Å
741L89.4Confident81.7Confident34 Ų3442.9 Ų42.918%0.17822%0.218CC..Hα-helixtrans-57.2-43.3173.7178.863.1000111.1L682 Q683 H686 D737 S744 V745L682-L741 HydrophobicContact CB-CD2 3.9Å; L682-L741 HydrophobicContact CB-CG 4.28Å; Q683-L741 HydrophobicContact CB-CD2 4.41Å; Q683-L741 HydrophobicContact CG-CD2 3.58Å; H686-L741 HydrophobicContact CB-CD1 3.82Å; D737-L741 WeakPolarHBondContact O-CB 3.49Å; D737-L741 PolarHBondContact O-N 2.87Å; L741-S744 PolarHBondContact O-N 3.34Å; L741-V745 HydrophobicContact CD1-CG2 4.36Å; L741-V745 WeakPolarHBondContact O-CB 3.31Å; L741-V745 VanDerWaalsContact O-CG2 3.27Å; L741-V745 WeakPolarHBondContact O-CG2 3.34Å; L741-V745 PolarHBondContact O-N 2.84Å
742L89.5Confident83.5Confident0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-66.1-40.6178.8-178.455.7000112.6L682 L712 L715 L733 T738 K739 E740 V745 L746L682-L742 HydrophobicContact CD1-CB 4.23Å; L682-L742 HydrophobicContact CD1-CD1 4.16Å; L682-L742 HydrophobicContact CD2-CD1 3.78Å; L712-L742 HydrophobicContact CB-CD1 4.05Å; L712-L742 HydrophobicContact CD2-CD1 3.56Å; L712-L742 HydrophobicContact CG-CD1 4.41Å; L715-L742 HydrophobicContact CB-CD2 3.68Å; L733-L742 HydrophobicContact CD2-CD2 3.92Å; T738-L742 WeakPolarHBondContact O-CB 3.4Å; T738-L742 PolarHBondContact O-N 3.19Å; K739-L742 PolarHBondContact O-N 3.39Å; E740-L742 VanDerWaalsContact C-N 3.28Å; E740-L742 PolarHBondContact O-N 3.48Å; L742-V745 PolarHBondContact O-N 2.95Å; L742-L746 WeakPolarHBondContact O-CB 3.28Å; L742-L746 PolarHBondContact O-N 3.18Å
743V89.4Confident85.3Confident33 Ų3337.1 Ų37.120%0.219%0.189CC..Hα-helixtrans-61.5-44.2171.8170.10000110.9Y716 K739 E740 L746 T747Y716-V743 HydrophobicContact CD2-CG2 3.71Å; Y716-V743 HydrophobicContact CE2-CG2 3.35Å; K739-V743 WeakPolarHBondContact O-CG2 3.37Å; K739-V743 PolarHBondContact O-N 2.95Å; E740-V743 PolarHBondContact O-N 3.42Å; V743-L746 PolarHBondContact O-N 3.05Å; V743-T747 VanDerWaalsContact O-CB 3.3Å; V743-T747 WeakPolarHBondContact O-CB 3.46Å; V743-T747 PolarHBondContact O-N 3Å; V743-T747 PolarHBondContact O-OG1 3.31Å
744S91.4Very high87Confident39 Ų3936.5 Ų36.527%0.27319%0.187SC..Hα-helixtrans-61-47.1177-175.20000111.8H686 E740 L741 T748H686-S744 PolarHBondContact CD2-OG 3.47Å; H686-S744 WeakPolarHBondContact NE2-CB 3.47Å; H686-S744 PolarHBondContact NE2-OG 3.47Å; E740-S744 PolarHBondContact O-N 3.33Å; L741-S744 PolarHBondContact O-N 3.34Å; S744-T748 VanDerWaalsContact O-CB 3.29Å; S744-T748 WeakPolarHBondContact O-CB 3.42Å; S744-T748 PolarHBondContact O-N 3.26Å; S744-T748 PolarHBondContact O-OG1 3.04Å
745V92.9Very high88.4Confident0 Ų030.2 Ų30.20%018%0.176CC..Hα-helixtrans-60.8-48.7175.7170.70000111.4L685 H686 L689 L712 L741 L742 T748 L749L685-V745 HydrophobicContact CD2-CG1 3.61Å; L685-V745 HydrophobicContact CG-CG1 3.9Å; H686-V745 HydrophobicContact CB-CG2 3.69Å; L689-V745 HydrophobicContact CD1-CG1 4.24Å; L712-V745 HydrophobicContact CD1-CG1 3.89Å; L712-V745 HydrophobicContact CD2-CG1 4.03Å; L741-V745 HydrophobicContact CD1-CG2 4.36Å; L741-V745 WeakPolarHBondContact O-CB 3.31Å; L741-V745 VanDerWaalsContact O-CG2 3.27Å; L741-V745 WeakPolarHBondContact O-CG2 3.34Å; L741-V745 PolarHBondContact O-N 2.84Å; L742-V745 PolarHBondContact O-N 2.95Å; V745-T748 PolarHBondContact O-N 2.73Å; V745-L749 WeakPolarHBondContact O-CB 3.42Å; V745-L749 PolarHBondContact O-N 3.18Å
746L91.9Very high89.1Confident0 Ų029.8 Ų29.80%017%0.169CC..Hα-helixtrans-64.5-43-177.3-177.959.6000111.7L709 L712 L742 V743 G750 H785 L786L709-L746 HydrophobicContact CD2-CD1 4.08Å; L712-L746 HydrophobicContact CB-CD1 3.97Å; L742-L746 WeakPolarHBondContact O-CB 3.28Å; L742-L746 PolarHBondContact O-N 3.18Å; V743-L746 PolarHBondContact O-N 3.05Å; L746-G750 PolarHBondContact O-N 3.06Å; L746-H785 HydrophobicContact CD2-CB 3.71Å; L746-H785 HydrophobicContact CG-CB 4.2Å; L746-L786 HydrophobicContact CD1-CD2 3.84Å
747T90.7Very high89.5Confident39 Ų3929.6 Ų29.624%0.23917%0.169CC..Hα-helixtrans-65.9-47.1176.7-54.30000111.3V743 G750 Q751V743-T747 VanDerWaalsContact O-CB 3.3Å; V743-T747 WeakPolarHBondContact O-CB 3.46Å; V743-T747 PolarHBondContact O-N 3Å; V743-T747 PolarHBondContact O-OG1 3.31Å; T747-G750 PolarHBondContact O-N 3.33Å; T747-Q751 WeakPolarHBondContact O-CG 3.49Å; T747-Q751 PolarHBondContact O-N 3.38Å
748T91.8Very high89.9Confident38 Ų3832.2 Ų32.223%0.23318%0.177CC..Hα-helixtrans-64.4-45.7-179.1-53.20000111.2L689 S744 V745 G750 Q751 L752L689-T748 HydrophobicContact CB-CG2 4.12Å; S744-T748 VanDerWaalsContact O-CB 3.29Å; S744-T748 WeakPolarHBondContact O-CB 3.42Å; S744-T748 PolarHBondContact O-N 3.26Å; S744-T748 PolarHBondContact O-OG1 3.04Å; V745-T748 PolarHBondContact O-N 2.73Å; T748-G750 VanDerWaalsContact C-N 3.32Å; T748-G750 PolarHBondContact O-N 3.04Å; T748-Q751 PolarHBondContact O-N 2.91Å; T748-L752 HydrophobicContact CG2-CD1 4.11Å; T748-L752 WeakPolarHBondContact O-CG 3.5Å; T748-L752 PolarHBondContact O-N 3.38Å; T748-L752 VanDerWaalsContact O-N 3.09Å
749L92.7Very high90.2Very high1 Ų135.9 Ų35.91%0.00521%0.208CC..Hα-helixtrans-63.2-40.7175-173.868.6000111.2L689 V700 L708 L709 L712 V745 L752 V753L689-L749 HydrophobicContact CD1-CB 4.12Å; L689-L749 HydrophobicContact CD1-CD1 4.44Å; L689-L749 HydrophobicContact CD2-CD1 3.96Å; V700-L749 HydrophobicContact CG1-CD1 3.52Å; V700-L749 HydrophobicContact CG2-CD1 4.13Å; L708-L749 HydrophobicContact CB-CD2 4.33Å; L708-L749 HydrophobicContact CD2-CD1 4.44Å; L708-L749 HydrophobicContact CD2-CD2 3.81Å; L708-L749 HydrophobicContact CG-CD2 3.74Å; L709-L749 HydrophobicContact CD2-CB 4.14Å; L709-L749 HydrophobicContact CD2-CD2 3.71Å; L709-L749 HydrophobicContact CD2-CG 3.78Å; L709-L749 HydrophobicContact CG-CD2 3.87Å; L709-L749 HydrophobicContact CG-CG 4.18Å; L712-L749 HydrophobicContact CD1-CD2 3.53Å; V745-L749 WeakPolarHBondContact O-CB 3.42Å; V745-L749 PolarHBondContact O-N 3.18Å; L749-L752 PolarHBondContact O-N 3.29Å; L749-V753 HydrophobicContact CD1-CG2 4.36Å; L749-V753 HydrophobicContact CG-CG2 4.44Å; L749-V753 WeakPolarHBondContact O-CB 3.18Å; L749-V753 VanDerWaalsContact O-CG2 3.27Å; L749-V753 WeakPolarHBondContact O-CG2 3.28Å; L749-V753 PolarHBondContact O-N 3.45Å
750G92.3Very high90.3Very high0 Ų037.2 Ų37.20%022%0.219CC..Hα-helixtrans-62.5-40.9177.300000113.1L746 T747 T748 G754 V789L746-G750 PolarHBondContact O-N 3.06Å; T747-G750 PolarHBondContact O-N 3.33Å; T748-G750 VanDerWaalsContact C-N 3.32Å; T748-G750 PolarHBondContact O-N 3.04Å; G750-G754 WeakPolarHBondContact O-CA 3.37Å; G750-G754 PolarHBondContact O-N 2.87Å; G750-V789 VanDerWaalsContact CA-CG2 3.49Å; G750-V789 WeakPolarHBondContact O-CG2 3.11Å
751Q91.5Very high90.1Very high110 Ų11037.1 Ų37.151%0.51422%0.223SC..Hα-helixtrans-65.1-47.6175-73.4168.9-13.100111.9T747 T748 V753 G754 A755 P788T747-Q751 WeakPolarHBondContact O-CG 3.49Å; T747-Q751 PolarHBondContact O-N 3.38Å; T748-Q751 PolarHBondContact O-N 2.91Å; Q751-V753 PolarHBondContact O-N 3.48Å; Q751-G754 PolarHBondContact O-N 2.95Å; Q751-A755 PolarHBondContact O-N 2.94Å; Q751-P788 HydrophobicContact CG-CB 3.98Å; Q751-P788 HydrophobicContact CG-CG 3.99Å
752L90.8Very high89.8Confident49 Ų4941.2 Ų41.226%0.25725%0.25SS..Hα-helixtrans-64.1-38.5179.9-70.9164.5000112.4L689 T748 L749L689-L752 HydrophobicContact CD2-CD1 3.83Å; T748-L752 HydrophobicContact CG2-CD1 4.11Å; T748-L752 WeakPolarHBondContact O-CG 3.5Å; T748-L752 PolarHBondContact O-N 3.38Å; T748-L752 VanDerWaalsContact O-N 3.09Å; L749-L752 PolarHBondContact O-N 3.29Å
753V91.1Very high89.7Confident1 Ų145.5 Ų45.51%0.00628%0.28CS..Hα-helixtrans-75.2-35.3175.2174.40000111.2V700 P705 F706 L709 L749 Q751 E756 I757 V789V700-V753 HydrophobicContact CG1-CG2 3.76Å; P705-V753 HydrophobicContact CB-CG1 4.33Å; P705-V753 HydrophobicContact CB-CG2 3.56Å; F706-V753 HydrophobicContact CZ-CG1 4.38Å; L709-V753 HydrophobicContact CD1-CB 4.17Å; L709-V753 HydrophobicContact CD1-CG1 3.94Å; L709-V753 HydrophobicContact CD1-CG2 4.23Å; L749-V753 HydrophobicContact CD1-CG2 4.36Å; L749-V753 HydrophobicContact CG-CG2 4.44Å; L749-V753 WeakPolarHBondContact O-CB 3.18Å; L749-V753 VanDerWaalsContact O-CG2 3.27Å; L749-V753 WeakPolarHBondContact O-CG2 3.28Å; L749-V753 PolarHBondContact O-N 3.45Å; Q751-V753 PolarHBondContact O-N 3.48Å; V753-E756 PolarHBondContact O-N 3.45Å; V753-I757 HydrophobicContact CG1-CD1 3.74Å; V753-I757 HydrophobicContact CG1-CG1 4.44Å; V753-I757 WeakPolarHBondContact O-CD1 3.41Å; V753-I757 VanDerWaalsContact O-CG1 3.25Å; V753-I757 WeakPolarHBondContact O-CG1 3.36Å; V753-I757 PolarHBondContact O-N 2.82Å; V753-I757 VanDerWaalsContact O-N 3.09Å; V753-V789 HydrophobicContact CG1-CG1 4.5Å
754G91.1Very high89.7Confident7 Ų747.2 Ų47.27%0.07228%0.283CS..Hα-helixtrans-59.4-45.2175.400000113.3G750 Q751 E756 I757 E758 P788G750-G754 WeakPolarHBondContact O-CA 3.37Å; G750-G754 PolarHBondContact O-N 2.87Å; Q751-G754 PolarHBondContact O-N 2.95Å; G754-E756 PolarHBondContact O-N 3.12Å; G754-I757 CarbonylContact O-C 3.34Å; G754-I757 WeakPolarHBondContact O-CA 3.45Å; G754-I757 WeakPolarHBondContact O-CB 3.3Å; G754-I757 PolarHBondContact O-N 2.95Å; G754-E758 PolarHBondContact O-N 3.48Å; G754-P788 VanDerWaalsContact CA-O 3.27Å; G754-P788 WeakPolarHBondContact CA-O 3.27Å
755A89.8Confident89.5Confident58 Ų5848.6 Ų48.648%0.47929%0.293SS..Hα-helixtrans-62.1-40.9177.600000113Q751 I757 E758 A759Q751-A755 PolarHBondContact O-N 2.94Å; A755-I757 PolarHBondContact O-N 2.92Å; A755-E758 PolarHBondContact O-N 2.99Å; A755-A759 WeakPolarHBondContact O-CB 3.21Å; A755-A759 PolarHBondContact O-N 3.13Å
756E88.8Confident89.4Confident34 Ų3459 Ų5916%0.15933%0.332CS..Hα-helixtrans-68.9-21.3174.4-66.3-73160.900112.8P697 H698 L701 V753 G754 W764P697-E756 WeakPolarHBondContact CA-OE1 3.42Å; P697-E756 WeakPolarHBondContact CB-OE2 3.46Å; H698-E756 HydrophobicContact CB-CG 4.34Å; H698-E756 PolarHBondContact N-OE1 3.32Å; L701-E756 HydrophobicContact CD1-CB 4.15Å; L701-E756 HydrophobicContact CD1-CG 4.06Å; L701-E756 HydrophobicContact CD2-CB 4.15Å; L701-E756 HydrophobicContact CD2-CG 4.18Å; L701-E756 HydrophobicContact CG-CG 4.24Å; V753-E756 PolarHBondContact O-N 3.45Å; G754-E756 PolarHBondContact O-N 3.12Å; E756-W764 PolarHBondContact O-NE1 2.96Å
757I89.8Confident89.3Confident5 Ų560.3 Ų60.33%0.02634%0.343CS..Hα-helixtrans-81.3-47173.7-72.2167.6000110.9F706 V753 G754 A755 A759 A760 P761 W764 L768 V789F706-I757 HydrophobicContact CE1-CD1 3.82Å; F706-I757 HydrophobicContact CZ-CD1 3.75Å; F706-I757 HydrophobicContact CZ-CG1 4.25Å; V753-I757 HydrophobicContact CG1-CD1 3.74Å; V753-I757 HydrophobicContact CG1-CG1 4.44Å; V753-I757 WeakPolarHBondContact O-CD1 3.41Å; V753-I757 VanDerWaalsContact O-CG1 3.25Å; V753-I757 WeakPolarHBondContact O-CG1 3.36Å; V753-I757 PolarHBondContact O-N 2.82Å; V753-I757 VanDerWaalsContact O-N 3.09Å; G754-I757 CarbonylContact O-C 3.34Å; G754-I757 WeakPolarHBondContact O-CA 3.45Å; G754-I757 WeakPolarHBondContact O-CB 3.3Å; G754-I757 PolarHBondContact O-N 2.95Å; A755-I757 PolarHBondContact O-N 2.92Å; I757-A759 PolarHBondContact O-N 3.26Å; I757-A760 CarbonylContact O-C 3.45Å; I757-A760 PolarHBondContact O-N 3.41Å; I757-P761 VanDerWaalsContact O-CA 3.23Å; I757-P761 WeakPolarHBondContact O-CA 3.38Å; I757-P761 WeakPolarHBondContact O-CD 3.42Å; I757-W764 HydrophobicContact CG1-CB 3.91Å; I757-W764 HydrophobicContact CG1-CG 3.83Å; I757-L768 HydrophobicContact CD1-CD2 3.98Å; I757-L768 HydrophobicContact CD1-CG 4.32Å; I757-L768 HydrophobicContact CG2-CD1 3.86Å; I757-L768 HydrophobicContact CG2-CD2 4.49Å; I757-L768 HydrophobicContact CG2-CG 4.47Å; I757-V789 HydrophobicContact CD1-CG1 3.76Å
758E88.7Confident89.3Confident165 Ų16558.7 Ų58.777%0.77133%0.333SS*.Hα-helixtrans-58.3-37.6175.6-170.8-178.6168.300111.6G754 A755 A760 P761G754-E758 PolarHBondContact O-N 3.48Å; A755-E758 PolarHBondContact O-N 2.99Å; E758-A760 VanDerWaalsContact C-N 3.28Å; E758-A760 PolarHBondContact O-N 2.93Å; E758-P761 WeakPolarHBondContact O-CD 3.24Å
759A88.1Confident89.3Confident84 Ų8462.8 Ų62.869%0.69435%0.348SS*.THydrogen-bonded Turntrans-67.5-20.8174.600000114.5A755 I757A755-A759 WeakPolarHBondContact O-CB 3.21Å; A755-A759 PolarHBondContact O-N 3.13Å; I757-A759 PolarHBondContact O-N 3.26Å
760A86.3Confident89.4Confident30 Ų3068.1 Ų68.125%0.24837%0.368CS..SBendtrans-153.654.4-173.400000114.4I757 E758 T762 S763 W764I757-A760 CarbonylContact O-C 3.45Å; I757-A760 PolarHBondContact O-N 3.41Å; E758-A760 VanDerWaalsContact C-N 3.28Å; E758-A760 PolarHBondContact O-N 2.93Å; A760-T762 VanDerWaalsContact C-N 3.32Å; A760-T762 PolarHBondContact O-N 3.33Å; A760-T762 VanDerWaalsContact O-N 3.16Å; A760-S763 WeakPolarHBondContact O-CB 3.43Å; A760-S763 PolarHBondContact O-N 3.09Å; A760-W764 VanDerWaalsContact O-CD1 3.26Å
761P83.6Confident89.5Confident52 Ų5268.1 Ų68.134%0.33837%0.368SS..Hα-helixtrans-63.2-33.7-163.122.2-34.2000113.9I757 E758 S763 W764 S765I757-P761 VanDerWaalsContact O-CA 3.23Å; I757-P761 WeakPolarHBondContact O-CA 3.38Å; I757-P761 WeakPolarHBondContact O-CD 3.42Å; E758-P761 WeakPolarHBondContact O-CD 3.24Å; P761-S763 VanDerWaalsContact C-N 3.28Å; P761-S763 PolarHBondContact O-N 2.84Å; P761-W764 PolarHBondContact O-N 3.18Å; P761-S765 PolarHBondContact O-N 3.25Å
762T84.5Confident89.5Confident120 Ų12063.9 Ų63.974%0.73635%0.347SS*.Hα-helixtrans-60.8-36.5176.349.30000112.7A760 W764 S765A760-T762 VanDerWaalsContact C-N 3.32Å; A760-T762 PolarHBondContact O-N 3.33Å; A760-T762 VanDerWaalsContact O-N 3.16Å; T762-W764 VanDerWaalsContact C-N 3.34Å; T762-W764 PolarHBondContact O-N 3.06Å; T762-S765 PolarHBondContact O-OG 2.76Å
763S87Confident89.6Confident90 Ų9064.4 Ų64.463%0.62935%0.35SS*.Hα-helixtrans-69.4-32.1-176.1-56.10000112.6A760 P761A760-S763 WeakPolarHBondContact O-CB 3.43Å; A760-S763 PolarHBondContact O-N 3.09Å; P761-S763 VanDerWaalsContact C-N 3.28Å; P761-S763 PolarHBondContact O-N 2.84Å
764W88.6Confident89.6Confident70 Ų7067.2 Ų67.227%0.26536%0.362SS..Hα-helixtrans-101.7-12.1-172.9-57.3111.6000114.5L701 F706 E756 I757 A760 P761 T762 R766 A767 L768L701-W764 HydrophobicContact CD1-CH2 4.06Å; L701-W764 HydrophobicContact CD1-CZ2 3.75Å; F706-W764 HydrophobicContact CE2-CD2 4.38Å; F706-W764 AromaticContact CE2-CE3 3.6Å; F706-W764 HydrophobicContact CE2-CE3 3.6Å; F706-W764 AromaticContact CE2-CZ3 3.96Å; F706-W764 HydrophobicContact CE2-CZ3 3.96Å; F706-W764 HydrophobicContact CZ-CB 4.26Å; F706-W764 HydrophobicContact CZ-CD2 4.31Å; F706-W764 AromaticContact CZ-CE3 3.91Å; F706-W764 HydrophobicContact CZ-CE3 3.91Å; F706-W764 HydrophobicContact CZ-CG 4.49Å; E756-W764 PolarHBondContact O-NE1 2.96Å; I757-W764 HydrophobicContact CG1-CB 3.91Å; I757-W764 HydrophobicContact CG1-CG 3.83Å; A760-W764 VanDerWaalsContact O-CD1 3.26Å; P761-W764 PolarHBondContact O-N 3.18Å; T762-W764 VanDerWaalsContact C-N 3.34Å; T762-W764 PolarHBondContact O-N 3.06Å; W764-R766 VanDerWaalsContact C-N 3.26Å; W764-R766 PolarHBondContact O-N 3.34Å; W764-A767 WeakPolarHBondContact O-CA 3.22Å; W764-A767 WeakPolarHBondContact O-CB 3.48Å; W764-A767 PolarHBondContact O-N 3.29Å; W764-L768 PolarHBondContact O-N 3.42Å
765S87.1Confident89.6Confident68 Ų6866.9 Ų66.948%0.47636%0.359SS..Hα-helixtrans-35.1-48.5177.2570000115.6P761 T762 F769P761-S765 PolarHBondContact O-N 3.25Å; T762-S765 PolarHBondContact O-OG 2.76Å; S765-F769 WeakPolarHBondContact O-CB 3.42Å; S765-F769 PolarHBondContact O-N 2.87Å; S765-F769 VanDerWaalsContact O-N 3.07Å
766R90.4Very high89.6Confident218 Ų21870.6 Ų70.682%0.82337%0.366SS*.Hα-helixtrans-70.5-34.4178.7-176.4176.3177.1180-0.4113.8W764 W770W764-R766 VanDerWaalsContact C-N 3.26Å; W764-R766 PolarHBondContact O-N 3.34Å; R766-W770 WeakPolarHBondContact O-CB 3.31Å; R766-W770 PolarHBondContact O-N 3.14Å; R766-W770 VanDerWaalsContact O-N 3.14Å
767A90.4Very high89.5Confident28 Ų2875 Ų7523%0.23139%0.387CS..Hα-helixtrans-77.3-37.5178.400000111.5F706 W764 W770 L771F706-A767 HydrophobicContact CD1-CB 3.93Å; F706-A767 HydrophobicContact CD2-CB 3.75Å; F706-A767 HydrophobicContact CE1-CB 3.83Å; F706-A767 HydrophobicContact CE2-CB 3.67Å; F706-A767 HydrophobicContact CG-CB 3.9Å; F706-A767 HydrophobicContact CZ-CB 3.71Å; W764-A767 WeakPolarHBondContact O-CA 3.22Å; W764-A767 WeakPolarHBondContact O-CB 3.48Å; W764-A767 PolarHBondContact O-N 3.29Å; A767-W770 PolarHBondContact O-N 3.46Å; A767-L771 PolarHBondContact O-N 2.97Å
768L91.7Very high89.5Confident5 Ų576.1 Ų76.13%0.02639%0.393CS..Hα-helixtrans-54.6-55.9167.8-82.9169.6000111.6F706 I757 W764 W770 L771 Y772 V789 W790F706-L768 HydrophobicContact CE1-CG 4.47Å; I757-L768 HydrophobicContact CD1-CD2 3.98Å; I757-L768 HydrophobicContact CD1-CG 4.32Å; I757-L768 HydrophobicContact CG2-CD1 3.86Å; I757-L768 HydrophobicContact CG2-CD2 4.49Å; I757-L768 HydrophobicContact CG2-CG 4.47Å; W764-L768 PolarHBondContact O-N 3.42Å; L768-W770 VanDerWaalsContact C-N 3.3Å; L768-W770 PolarHBondContact O-N 3.37Å; L768-L771 PolarHBondContact O-N 3.41Å; L768-L771 VanDerWaalsContact O-N 3.12Å; L768-Y772 WeakPolarHBondContact O-CB 3.43Å; L768-Y772 PolarHBondContact O-N 2.76Å; L768-V789 HydrophobicContact CD2-CG1 4.01Å; L768-V789 VanDerWaalsContact CD2-O 3.28Å; L768-V789 WeakPolarHBondContact CD2-O 3.38Å; L768-W790 HydrophobicContact CD2-CE3 4.22Å
769F91.1Very high89.5Confident124 Ų12470 Ų7054%0.54437%0.365SS..Hα-helixtrans-63.4-35.4-178.9-169.5-108.7000112.5S765 N773S765-F769 WeakPolarHBondContact O-CB 3.42Å; S765-F769 PolarHBondContact O-N 2.87Å; S765-F769 VanDerWaalsContact O-N 3.07Å; F769-N773 WeakPolarHBondContact CE1-ND2 3.4Å; F769-N773 WeakPolarHBondContact CZ-ND2 3.24Å; F769-N773 PolarHBondContact O-N 3.2Å; F769-N773 VanDerWaalsContact O-N 3.15Å; F769-N773 PolarHBondContact O-OD1 2.87Å
770W94.4Very high89.6Confident112 Ų11266.3 Ų66.342%0.42433%0.334SS..Hα-helixtrans-62.1-45.2172174.184.5000112.3F706 P707 F710 R766 A767 L768 K774F706-W770 HydrophobicContact CB-CE3 4.22Å; F706-W770 HydrophobicContact CB-CZ3 4.04Å; P707-W770 HydrophobicContact CG-CH2 4.43Å; F710-W770 HydrophobicContact CB-CH2 4.28Å; F710-W770 HydrophobicContact CB-CZ3 4.47Å; F710-W770 HydrophobicContact CD1-CH2 4.43Å; R766-W770 WeakPolarHBondContact O-CB 3.31Å; R766-W770 PolarHBondContact O-N 3.14Å; R766-W770 VanDerWaalsContact O-N 3.14Å; A767-W770 PolarHBondContact O-N 3.46Å; L768-W770 VanDerWaalsContact C-N 3.3Å; L768-W770 PolarHBondContact O-N 3.37Å; W770-K774 HydrophobicContact CZ2-CG 4.22Å; W770-K774 WeakPolarHBondContact O-CB 3.23Å; W770-K774 PolarHBondContact O-N 3.15Å
771L94.1Very high89.7Confident0 Ų065 Ų650%032%0.322CS..Hα-helixtrans-68.1-42.5179.4-175.763.6000111.1F706 L709 F710 A767 L768 K774 T775 V789 W790F706-L771 HydrophobicContact CD1-CB 4.26Å; F706-L771 HydrophobicContact CD1-CD2 4.03Å; L709-L771 HydrophobicContact CB-CD2 4.14Å; L709-L771 HydrophobicContact CD1-CD2 4.11Å; F710-L771 HydrophobicContact CB-CD1 3.69Å; F710-L771 HydrophobicContact CD2-CD1 4.49Å; F710-L771 HydrophobicContact CG-CD1 4.49Å; A767-L771 PolarHBondContact O-N 2.97Å; L768-L771 PolarHBondContact O-N 3.41Å; L768-L771 VanDerWaalsContact O-N 3.12Å; L771-K774 CarbonylContact O-C 3.59Å; L771-K774 WeakPolarHBondContact O-CA 3.41Å; L771-K774 WeakPolarHBondContact O-CB 3.28Å; L771-K774 PolarHBondContact O-N 2.94Å; L771-K774 VanDerWaalsContact O-N 3.11Å; L771-T775 WeakPolarHBondContact O-CG2 3.4Å; L771-T775 PolarHBondContact O-N 2.89Å; L771-V789 HydrophobicContact CD2-CG1 4.28Å; L771-W790 HydrophobicContact CB-CH2 4.38Å; L771-W790 HydrophobicContact CB-CZ3 4.33Å; L771-W790 HydrophobicContact CD2-CH2 4.03Å; L771-W790 HydrophobicContact CD2-CZ3 4.05Å; L771-W790 HydrophobicContact CG-CH2 3.86Å; L771-W790 HydrophobicContact CG-CZ3 4.15Å
772Y92.3Very high90.1Very high22 Ų2262.5 Ų62.59%0.08631%0.306CS..Hα-helixtrans-57.7-54179.4-168.5-96.6000111.9L768 K774 T775 E776 W790 F794 E797L768-Y772 WeakPolarHBondContact O-CB 3.43Å; L768-Y772 PolarHBondContact O-N 2.76Å; Y772-K774 PolarHBondContact O-N 3.36Å; Y772-T775 PolarHBondContact O-N 3.33Å; Y772-T775 PolarHBondContact O-OG1 3.31Å; Y772-E776 PolarHBondContact O-N 2.99Å; Y772-W790 HydrophobicContact CD2-CD2 4.38Å; Y772-W790 HydrophobicContact CD2-CE3 4.33Å; Y772-W790 HydrophobicContact CD2-CH2 4.17Å; Y772-W790 HydrophobicContact CD2-CZ2 4.24Å; Y772-W790 HydrophobicContact CD2-CZ3 4.22Å; Y772-F794 HydrophobicContact CD1-CD1 4.04Å; Y772-F794 AromaticContact CD1-CE1 3.71Å; Y772-F794 HydrophobicContact CD1-CE1 3.71Å; Y772-F794 HydrophobicContact CD1-CZ 4.19Å; Y772-F794 HydrophobicContact CD2-CB 4.33Å; Y772-F794 AromaticContact CD2-CD1 3.69Å; Y772-F794 HydrophobicContact CD2-CD1 3.69Å; Y772-F794 AromaticContact CD2-CD2 3.66Å; Y772-F794 HydrophobicContact CD2-CD2 3.66Å; Y772-F794 AromaticContact CD2-CE1 3.8Å; Y772-F794 HydrophobicContact CD2-CE1 3.8Å; Y772-F794 AromaticContact CD2-CE2 3.77Å; Y772-F794 HydrophobicContact CD2-CE2 3.77Å; Y772-F794 AromaticContact CD2-CG 3.62Å; Y772-F794 HydrophobicContact CD2-CG 3.62Å; Y772-F794 AromaticContact CD2-CZ 3.83Å; Y772-F794 HydrophobicContact CD2-CZ 3.83Å; Y772-F794 AromaticContact CE1-CD1 3.8Å; Y772-F794 HydrophobicContact CE1-CD1 3.8Å; Y772-F794 AromaticContact CE1-CE1 3.91Å; Y772-F794 HydrophobicContact CE1-CE1 3.91Å; Y772-F794 HydrophobicContact CE2-CB 3.61Å; Y772-F794 AromaticContact CE2-CD1 3.42Å; Y772-F794 HydrophobicContact CE2-CD1 3.42Å; Y772-F794 VanDerWaalsContact CE2-CD1 3.42Å; Y772-F794 AromaticContact CE2-CD2 3.85Å; Y772-F794 HydrophobicContact CE2-CD2 3.85Å; Y772-F794 AromaticContact CE2-CE1 3.99Å; Y772-F794 HydrophobicContact CE2-CE1 3.99Å; Y772-F794 HydrophobicContact CE2-CE2 4.36Å; Y772-F794 AromaticContact CE2-CG 3.34Å; Y772-F794 HydrophobicContact CE2-CG 3.34Å; Y772-F794 HydrophobicContact CE2-CZ 4.42Å; Y772-F794 AromaticContact CG-CD1 3.97Å; Y772-F794 HydrophobicContact CG-CD1 3.97Å; Y772-F794 HydrophobicContact CG-CD2 4.37Å; Y772-F794 AromaticContact CG-CE1 3.63Å; Y772-F794 HydrophobicContact CG-CE1 3.63Å; Y772-F794 HydrophobicContact CG-CE2 4.06Å; Y772-F794 HydrophobicContact CG-CG 4.33Å; Y772-F794 AromaticContact CG-CZ 3.68Å; Y772-F794 HydrophobicContact CG-CZ 3.68Å; Y772-F794 AromaticContact CZ-CD1 3.46Å; Y772-F794 VanDerWaalsContact CZ-CD1 3.46Å; Y772-F794 AromaticContact CZ-CG 3.85Å; Y772-E797 PolarHBondContact OH-OE1 3.3Å; Y772-E797 PolarHBondContact OH-OE2 3.46Å
773N92.3Very high90.3Very high59 Ų5957.9 Ų57.932%0.31628%0.275SS..Hα-helixtrans-62.3-28.7177.2-59.84.9000111.7F769 E776F769-N773 WeakPolarHBondContact CE1-ND2 3.4Å; F769-N773 WeakPolarHBondContact CZ-ND2 3.24Å; F769-N773 PolarHBondContact O-N 3.2Å; F769-N773 VanDerWaalsContact O-N 3.15Å; F769-N773 PolarHBondContact O-OD1 2.87Å; N773-E776 WeakPolarHBondContact O-CB 3.47Å; N773-E776 PolarHBondContact O-N 3.36Å
774K92Very high90.5Very high60 Ų6054.4 Ų54.426%0.26125%0.249SC..Hα-helixtrans-73.8-26.1173.9-89-71.9149.3-149.80113.7F710 W770 L771 Y772 E776 E777F710-K774 HydrophobicContact CD2-CB 3.86Å; F710-K774 HydrophobicContact CE1-CD 3.96Å; F710-K774 HydrophobicContact CE2-CB 3.7Å; F710-K774 HydrophobicContact CE2-CD 4.07Å; F710-K774 HydrophobicContact CE2-CG 4.4Å; F710-K774 VanDerWaalsContact CE2-O 3.29Å; F710-K774 WeakPolarHBondContact CE2-O 3.31Å; F710-K774 HydrophobicContact CG-CB 4.43Å; F710-K774 HydrophobicContact CZ-CB 4.12Å; F710-K774 HydrophobicContact CZ-CD 3.6Å; F710-K774 HydrophobicContact CZ-CG 4.33Å; W770-K774 HydrophobicContact CZ2-CG 4.22Å; W770-K774 WeakPolarHBondContact O-CB 3.23Å; W770-K774 PolarHBondContact O-N 3.15Å; L771-K774 CarbonylContact O-C 3.59Å; L771-K774 WeakPolarHBondContact O-CA 3.41Å; L771-K774 WeakPolarHBondContact O-CB 3.28Å; L771-K774 PolarHBondContact O-N 2.94Å; L771-K774 VanDerWaalsContact O-N 3.11Å; Y772-K774 PolarHBondContact O-N 3.36Å; K774-E776 VanDerWaalsContact C-N 3.31Å; K774-E777 IonicContact NZ-OE1 2.82Å; K774-E777 PolarHBondContact NZ-OE1 3.06Å; K774-E777 IonicContact NZ-OE2 3.13Å; K774-E777 PolarHBondContact NZ-OE2 2.68Å
775T91.3Very high90.5Very high0 Ų051.7 Ų51.70%024%0.239CC..Hα-helixtrans-79.7-8.6172640000114.5L771 Y772 E777 L778 V782 R783 L786 W790L771-T775 WeakPolarHBondContact O-CG2 3.4Å; L771-T775 PolarHBondContact O-N 2.89Å; Y772-T775 PolarHBondContact O-N 3.33Å; Y772-T775 PolarHBondContact O-OG1 3.31Å; T775-E777 PolarHBondContact O-N 3.34Å; T775-L778 PolarHBondContact O-N 3.43Å; T775-V782 HydrophobicContact CG2-CG1 4.45Å; T775-R783 PolarHBondContact OG1-NE 3.12Å; T775-L786 HydrophobicContact CG2-CD1 3.68Å; T775-W790 HydrophobicContact CG2-CH2 4.23Å; T775-W790 HydrophobicContact CG2-CZ2 4.18Å
776E88.8Confident90.7Very high137 Ų13748.5 Ų48.564%0.6422%0.216SC*.THydrogen-bonded Turntrans-68.7-21.9172.8-163.4179.7168.400112.3Y772 N773 K774 L778Y772-E776 PolarHBondContact O-N 2.99Å; N773-E776 WeakPolarHBondContact O-CB 3.47Å; N773-E776 PolarHBondContact O-N 3.36Å; K774-E776 VanDerWaalsContact C-N 3.31Å; E776-L778 VanDerWaalsContact C-N 3.25Å; E776-L778 PolarHBondContact O-N 2.91Å
777E86.4Confident90.7Very high127 Ų12741.3 Ų41.359%0.59319%0.189SC*.THydrogen-bonded Turntrans-83.25.6174.5-66.9168.2-16600113.3K774 T775K774-E777 IonicContact NZ-OE1 2.82Å; K774-E777 PolarHBondContact NZ-OE1 3.06Å; K774-E777 IonicContact NZ-OE2 3.13Å; K774-E777 PolarHBondContact NZ-OE2 2.68Å; T775-E777 PolarHBondContact O-N 3.34Å
778L89.6Confident90.7Very high28 Ų2842.4 Ų42.415%0.14719%0.194CC..SBendtrans-126.6166.3-173.9-53.8179.1000111.3F710 A713 Q714 N717 T775 E776 V782F710-L778 HydrophobicContact CD2-CD1 4.44Å; F710-L778 HydrophobicContact CE2-CD1 4.02Å; A713-L778 HydrophobicContact CB-CD1 4.05Å; Q714-L778 HydrophobicContact CG-CD1 4.3Å; Q714-L778 HydrophobicContact CG-CD2 4.1Å; N717-L778 HydrophobicContact CB-CD2 4.15Å; T775-L778 PolarHBondContact O-N 3.43Å; E776-L778 VanDerWaalsContact C-N 3.25Å; E776-L778 PolarHBondContact O-N 2.91Å; L778-V782 HydrophobicContact CB-CG2 4.13Å; L778-V782 HydrophobicContact CD1-CG1 4.07Å
779D88.8Confident90.7Very high37 Ų3742.2 Ų42.220%0.19819%0.193CC..  trans-55.8143.2173.7175.2-106.1000112.6N717 T781 V782N717-D779 VanDerWaalsContact OD1-CB 3.28Å; N717-D779 WeakPolarHBondContact OD1-CB 3.41Å; N717-D779 PolarHBondContact OD1-N 3.34Å; D779-T781 VanDerWaalsContact C-N 3.25Å; D779-T781 PolarHBondContact O-N 3.41Å; D779-T781 WeakPolarHBondContact OD1-CB 3.48Å; D779-T781 VanDerWaalsContact OD1-CG2 3.3Å; D779-T781 WeakPolarHBondContact OD1-CG2 3.3Å; D779-T781 PolarHBondContact OD1-N 3.22Å; D779-T781 PolarHBondContact OD1-OG1 3.03Å; D779-V782 HydrophobicContact CB-CG2 4.43Å; D779-V782 WeakPolarHBondContact O-CB 3.32Å; D779-V782 VanDerWaalsContact O-CG2 3.24Å; D779-V782 WeakPolarHBondContact O-CG2 3.25Å; D779-V782 PolarHBondContact O-N 3.35Å; D779-V782 VanDerWaalsContact O-N 3.11Å
780W90.1Very high90.6Very high6 Ų636.5 Ų36.52%0.02317%0.168CC..THydrogen-bonded Turntrans-61.9-29.8-17466.5-83.2000113.1V782 R783 F784 V798 P799 L818 Y821 A829 E832 C833W780-V782 PolarHBondContact O-N 3.42Å; W780-R783 PolarHBondContact O-N 2.57Å; W780-F784 HydrophobicContact CE3-CD2 4.19Å; W780-F784 AromaticContact CE3-CE2 3.83Å; W780-F784 HydrophobicContact CE3-CE2 3.83Å; W780-F784 HydrophobicContact CZ3-CD2 4.17Å; W780-F784 AromaticContact CZ3-CE2 3.81Å; W780-F784 HydrophobicContact CZ3-CE2 3.81Å; W780-V798 HydrophobicContact CZ3-CG1 4.21Å; W780-P799 HydrophobicContact CD2-CG 3.92Å; W780-P799 HydrophobicContact CG-CG 4.27Å; W780-P799 HydrophobicContact CZ2-CG 3.92Å; W780-L818 HydrophobicContact CB-CD1 4.09Å; W780-L818 HydrophobicContact CG-CD1 3.97Å; W780-Y821 AromaticContact CD1-CE2 3.95Å; W780-Y821 AromaticContact NE1-CE2 3.49Å; W780-Y821 AromaticContact NE1-CZ 3.33Å; W780-Y821 VanDerWaalsContact NE1-CZ 3.33Å; W780-Y821 PolarHBondContact NE1-OH 3.48Å; W780-A829 HydrophobicContact CZ2-CB 4.37Å; W780-E832 HydrophobicContact CH2-CB 4.16Å; W780-E832 HydrophobicContact CZ2-CB 3.94Å; W780-C833 VanDerWaalsContact CH2-SG 3.51Å
781T89.9Confident90.2Very high1 Ų132.9 Ų32.91%0.00617%0.166CC..THydrogen-bonded Turntrans-65.3-24.5179.1710000112.8D779 R783 F784 L836D779-T781 VanDerWaalsContact C-N 3.25Å; D779-T781 PolarHBondContact O-N 3.41Å; D779-T781 WeakPolarHBondContact OD1-CB 3.48Å; D779-T781 VanDerWaalsContact OD1-CG2 3.3Å; D779-T781 WeakPolarHBondContact OD1-CG2 3.3Å; D779-T781 PolarHBondContact OD1-N 3.22Å; D779-T781 PolarHBondContact OD1-OG1 3.03Å; T781-R783 PolarHBondContact O-N 2.97Å; T781-F784 PolarHBondContact O-N 3.02Å; T781-F784 VanDerWaalsContact O-N 3.12Å; T781-L836 HydrophobicContact CG2-CD1 4.13Å
782V90.4Very high89.6Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-55.9-38.6175.3175.40000111.4A713 Y716 N717 T775 L778 D779 W780 F784 H785 L786A713-V782 HydrophobicContact CB-CG1 3.6Å; Y716-V782 HydrophobicContact CD1-CG2 4.07Å; N717-V782 HydrophobicContact CB-CG2 4.22Å; T775-V782 HydrophobicContact CG2-CG1 4.45Å; L778-V782 HydrophobicContact CB-CG2 4.13Å; L778-V782 HydrophobicContact CD1-CG1 4.07Å; D779-V782 HydrophobicContact CB-CG2 4.43Å; D779-V782 WeakPolarHBondContact O-CB 3.32Å; D779-V782 VanDerWaalsContact O-CG2 3.24Å; D779-V782 WeakPolarHBondContact O-CG2 3.25Å; D779-V782 PolarHBondContact O-N 3.35Å; D779-V782 VanDerWaalsContact O-N 3.11Å; W780-V782 PolarHBondContact O-N 3.42Å; V782-F784 PolarHBondContact O-N 3.35Å; V782-H785 PolarHBondContact O-N 3.13Å; V782-L786 HydrophobicContact CG1-CD1 4.31Å; V782-L786 PolarHBondContact O-N 2.68Å
783R90.4Very high89.3Confident23 Ų2345.8 Ų45.89%0.08723%0.226CC..Hα-helixtrans-66.5-26.1-177.5-70.7168.4165.7-177.8-15.4112.3T775 W780 T781 L786 R787 W790 E797T775-R783 PolarHBondContact OG1-NE 3.12Å; W780-R783 PolarHBondContact O-N 2.57Å; T781-R783 PolarHBondContact O-N 2.97Å; R783-L786 CarbonylContact O-C 3.33Å; R783-L786 PolarHBondContact O-N 2.75Å; R783-R787 PolarHBondContact O-N 3.34Å; R783-W790 PolarHBondContact O-NE1 3.48Å; R783-E797 IonicContact CZ-OE2 3.52Å; R783-E797 IonicContact NH1-OE2 2.77Å; R783-E797 PolarHBondContact NH1-OE2 2.98Å; R783-E797 IonicContact NH2-OE2 3.81Å
784F90.1Very high89.2Confident17 Ų1745 Ų458%0.07522%0.22CC..Hα-helixtrans-75-36.3175.7-75.4-80.8000113.2W780 T781 V782 L786 R787 N796 E797 V798 W813 L836 L840W780-F784 HydrophobicContact CE3-CD2 4.19Å; W780-F784 AromaticContact CE3-CE2 3.83Å; W780-F784 HydrophobicContact CE3-CE2 3.83Å; W780-F784 HydrophobicContact CZ3-CD2 4.17Å; W780-F784 AromaticContact CZ3-CE2 3.81Å; W780-F784 HydrophobicContact CZ3-CE2 3.81Å; T781-F784 PolarHBondContact O-N 3.02Å; T781-F784 VanDerWaalsContact O-N 3.12Å; V782-F784 PolarHBondContact O-N 3.35Å; F784-L786 PolarHBondContact O-N 3.48Å; F784-R787 VanDerWaalsContact O-CB 3.25Å; F784-R787 WeakPolarHBondContact O-CB 3.41Å; F784-R787 PolarHBondContact O-N 2.96Å; F784-R787 VanDerWaalsContact O-N 3.09Å; F784-N796 HydrophobicContact CE1-CB 3.86Å; F784-N796 HydrophobicContact CZ-CB 3.9Å; F784-E797 WeakPolarHBondContact CE2-O 3.43Å; F784-V798 HydrophobicContact CE2-CG1 3.87Å; F784-V798 HydrophobicContact CZ-CG1 3.61Å; F784-W813 HydrophobicContact CE1-CH2 4.08Å; F784-W813 AromaticContact CE1-CZ3 3.87Å; F784-W813 HydrophobicContact CE1-CZ3 3.87Å; F784-W813 HydrophobicContact CZ-CH2 4.41Å; F784-W813 AromaticContact CZ-CZ3 3.75Å; F784-W813 HydrophobicContact CZ-CZ3 3.75Å; F784-L836 HydrophobicContact CB-CD1 4.06Å; F784-L836 HydrophobicContact CD2-CD1 4.35Å; F784-L836 HydrophobicContact CG-CD1 4.32Å; F784-L840 HydrophobicContact CB-CD1 4.07Å; F784-L840 HydrophobicContact CD1-CD1 3.69Å; F784-L840 HydrophobicContact CD1-CD2 3.75Å; F784-L840 HydrophobicContact CD1-CG 4.36Å; F784-L840 HydrophobicContact CE1-CD1 4.46Å; F784-L840 HydrophobicContact CE1-CD2 3.77Å; F784-L840 HydrophobicContact CG-CD1 4.03Å
785H88.7Confident89.1Confident14 Ų1446.5 Ų46.57%0.06523%0.227CC..Hα-helixtrans-63.7-27.4171.7-66.1-64.6000112.4Y716 L746 V782 L836Y716-H785 AromaticContact CE1-CD2 3.65Å; Y716-H785 AromaticContact CE1-NE2 3.57Å; Y716-H785 AromaticContact CE2-NE2 3.76Å; Y716-H785 AromaticContact CZ-CD2 3.74Å; Y716-H785 AromaticContact CZ-NE2 3.19Å; Y716-H785 PolarHBondContact OH-NE2 3.32Å; L746-H785 HydrophobicContact CD2-CB 3.71Å; L746-H785 HydrophobicContact CG-CB 4.2Å; V782-H785 PolarHBondContact O-N 3.13Å; H785-L836 WeakPolarHBondContact NE2-CD2 3.33Å
786L91.8Very high89.1Confident0 Ų047.5 Ų47.50%023%0.232CC..THydrogen-bonded Turntrans-90.73.5175.1-69.2170.9000114.1L709 A713 L746 T775 V782 R783 F784 P788 V789 W790L709-L786 HydrophobicContact CB-CD2 4.25Å; L709-L786 HydrophobicContact CD2-CD2 3.78Å; L709-L786 HydrophobicContact CG-CD2 4.47Å; A713-L786 HydrophobicContact CB-CD1 4.35Å; L746-L786 HydrophobicContact CD1-CD2 3.84Å; T775-L786 HydrophobicContact CG2-CD1 3.68Å; V782-L786 HydrophobicContact CG1-CD1 4.31Å; V782-L786 PolarHBondContact O-N 2.68Å; R783-L786 CarbonylContact O-C 3.33Å; R783-L786 PolarHBondContact O-N 2.75Å; F784-L786 PolarHBondContact O-N 3.48Å; L786-P788 VanDerWaalsContact C-N 3.31Å; L786-V789 HydrophobicContact CD2-CG2 4.13Å; L786-V789 WeakPolarHBondContact O-CA 3.41Å; L786-V789 WeakPolarHBondContact O-CB 3.43Å; L786-V789 PolarHBondContact O-N 2.99Å; L786-W790 HydrophobicContact CB-CD2 4.41Å; L786-W790 HydrophobicContact CB-CH2 4.36Å; L786-W790 HydrophobicContact CB-CZ2 3.55Å; L786-W790 HydrophobicContact CD1-CH2 4.14Å; L786-W790 HydrophobicContact CD1-CZ2 3.75Å; L786-W790 HydrophobicContact CG-CZ2 4.29Å; L786-W790 PolarHBondContact O-N 3.24Å
787R89.9Confident89.2Confident68 Ų6843 Ų4326%0.25721%0.211SC..Hα-helixtrans-52-37.5179.6-172.867.3-168.9-178.313.3114.6R783 F784 V789 W790 G791 F794 N796R783-R787 PolarHBondContact O-N 3.34Å; F784-R787 VanDerWaalsContact O-CB 3.25Å; F784-R787 WeakPolarHBondContact O-CB 3.41Å; F784-R787 PolarHBondContact O-N 2.96Å; F784-R787 VanDerWaalsContact O-N 3.09Å; R787-V789 PolarHBondContact O-N 3.1Å; R787-W790 PolarHBondContact O-N 3.27Å; R787-G791 PolarHBondContact NE-O 2.87Å; R787-G791 PolarHBondContact NH2-O 3.31Å; R787-G791 PolarHBondContact O-N 2.83Å; R787-G791 VanDerWaalsContact O-N 3.12Å; R787-F794 PolarHBondContact NH1-O 2.95Å; R787-F794 PolarHBondContact NH2-O 3.46Å; R787-N796 WeakPolarHBondContact CD-OD1 3.43Å; R787-N796 VanDerWaalsContact CZ-OD1 3.32Å; R787-N796 PolarHBondContact NE-OD1 3.15Å; R787-N796 PolarHBondContact NH1-OD1 3.11Å
788P90.2Very high89.6Confident50 Ų5036.9 Ų36.933%0.32518%0.183SC..Hα-helixtrans-62.1-25.7174.3-2435.4000114.3Q751 G754 L786Q751-P788 HydrophobicContact CG-CB 3.98Å; Q751-P788 HydrophobicContact CG-CG 3.99Å; G754-P788 VanDerWaalsContact CA-O 3.27Å; G754-P788 WeakPolarHBondContact CA-O 3.27Å; L786-P788 VanDerWaalsContact C-N 3.31Å
789V91.9Very high89.8Confident1 Ų135.6 Ų35.61%0.00618%0.176CC..Hα-helixtrans-80.5-33.7176.2-172.70000110.9L709 G750 V753 I757 L768 L771 L786 R787L709-V789 HydrophobicContact CD1-CG1 4.39Å; L709-V789 HydrophobicContact CD1-CG2 4.01Å; L709-V789 HydrophobicContact CD2-CG2 4.44Å; G750-V789 VanDerWaalsContact CA-CG2 3.49Å; G750-V789 WeakPolarHBondContact O-CG2 3.11Å; V753-V789 HydrophobicContact CG1-CG1 4.5Å; I757-V789 HydrophobicContact CD1-CG1 3.76Å; L768-V789 HydrophobicContact CD2-CG1 4.01Å; L768-V789 VanDerWaalsContact CD2-O 3.28Å; L768-V789 WeakPolarHBondContact CD2-O 3.38Å; L771-V789 HydrophobicContact CD2-CG1 4.28Å; L786-V789 HydrophobicContact CD2-CG2 4.13Å; L786-V789 WeakPolarHBondContact O-CA 3.41Å; L786-V789 WeakPolarHBondContact O-CB 3.43Å; L786-V789 PolarHBondContact O-N 2.99Å; R787-V789 PolarHBondContact O-N 3.1Å
790W89.8Confident90Very high4 Ų435.7 Ų35.72%0.01518%0.18CC..Hα-helixtrans-75.7-33.4-179.3-50146.8000113.6L768 L771 Y772 T775 R783 L786 R787 E792 H793 F794L768-W790 HydrophobicContact CD2-CE3 4.22Å; L771-W790 HydrophobicContact CB-CH2 4.38Å; L771-W790 HydrophobicContact CB-CZ3 4.33Å; L771-W790 HydrophobicContact CD2-CH2 4.03Å; L771-W790 HydrophobicContact CD2-CZ3 4.05Å; L771-W790 HydrophobicContact CG-CH2 3.86Å; L771-W790 HydrophobicContact CG-CZ3 4.15Å; Y772-W790 HydrophobicContact CD2-CD2 4.38Å; Y772-W790 HydrophobicContact CD2-CE3 4.33Å; Y772-W790 HydrophobicContact CD2-CH2 4.17Å; Y772-W790 HydrophobicContact CD2-CZ2 4.24Å; Y772-W790 HydrophobicContact CD2-CZ3 4.22Å; T775-W790 HydrophobicContact CG2-CH2 4.23Å; T775-W790 HydrophobicContact CG2-CZ2 4.18Å; R783-W790 PolarHBondContact O-NE1 3.48Å; L786-W790 HydrophobicContact CB-CD2 4.41Å; L786-W790 HydrophobicContact CB-CH2 4.36Å; L786-W790 HydrophobicContact CB-CZ2 3.55Å; L786-W790 HydrophobicContact CD1-CH2 4.14Å; L786-W790 HydrophobicContact CD1-CZ2 3.75Å; L786-W790 HydrophobicContact CG-CZ2 4.29Å; L786-W790 PolarHBondContact O-N 3.24Å; R787-W790 PolarHBondContact O-N 3.27Å; W790-E792 PolarHBondContact O-N 2.84Å; W790-H793 VanDerWaalsContact O-CB 3.31Å; W790-H793 WeakPolarHBondContact O-CB 3.27Å; W790-H793 PolarHBondContact O-CD2 2.94Å; W790-H793 PolarHBondContact O-N 3.1Å; W790-F794 HydrophobicContact CB-CD2 4.19Å; W790-F794 HydrophobicContact CD2-CD2 4.46Å; W790-F794 HydrophobicContact CE3-CD2 4.28Å; W790-F794 HydrophobicContact CE3-CE2 4.33Å; W790-F794 HydrophobicContact CG-CD2 4.45Å
791G84.3Confident90.2Very high37 Ų3735.7 Ų35.738%0.38118%0.18SC..THydrogen-bonded Turntrans56.2-125.4-173.700000111.4R787R787-G791 PolarHBondContact NE-O 2.87Å; R787-G791 PolarHBondContact NH2-O 3.31Å; R787-G791 PolarHBondContact O-N 2.83Å; R787-G791 VanDerWaalsContact O-N 3.12Å
792E83.4Confident90.3Very high190 Ų19035.6 Ų35.689%0.88818%0.18SC*.THydrogen-bonded Turntrans-97.82.7174.2-61.9-175.7164.400113.4W790 F794W790-E792 PolarHBondContact O-N 2.84Å; E792-F794 VanDerWaalsContact C-N 3.27Å; E792-F794 PolarHBondContact O-N 3.18Å
793H85.2Confident90.4Very high102 Ų10239.1 Ų39.147%0.47220%0.198SC..SBendtrans-70.2-20.1-173.5-63.6-51.7000114.6W790W790-H793 VanDerWaalsContact O-CB 3.31Å; W790-H793 WeakPolarHBondContact O-CB 3.27Å; W790-H793 PolarHBondContact O-CD2 2.94Å; W790-H793 PolarHBondContact O-N 3.1Å
794F89.2Confident90.3Very high43 Ų4343.4 Ų43.419%0.18922%0.219CC..SBendtrans-139.1151.4-177.8-58.5-81.1000110.9Y772 R787 W790 E792Y772-F794 HydrophobicContact CD1-CD1 4.04Å; Y772-F794 AromaticContact CD1-CE1 3.71Å; Y772-F794 HydrophobicContact CD1-CE1 3.71Å; Y772-F794 HydrophobicContact CD1-CZ 4.19Å; Y772-F794 HydrophobicContact CD2-CB 4.33Å; Y772-F794 AromaticContact CD2-CD1 3.69Å; Y772-F794 HydrophobicContact CD2-CD1 3.69Å; Y772-F794 AromaticContact CD2-CD2 3.66Å; Y772-F794 HydrophobicContact CD2-CD2 3.66Å; Y772-F794 AromaticContact CD2-CE1 3.8Å; Y772-F794 HydrophobicContact CD2-CE1 3.8Å; Y772-F794 AromaticContact CD2-CE2 3.77Å; Y772-F794 HydrophobicContact CD2-CE2 3.77Å; Y772-F794 AromaticContact CD2-CG 3.62Å; Y772-F794 HydrophobicContact CD2-CG 3.62Å; Y772-F794 AromaticContact CD2-CZ 3.83Å; Y772-F794 HydrophobicContact CD2-CZ 3.83Å; Y772-F794 AromaticContact CE1-CD1 3.8Å; Y772-F794 HydrophobicContact CE1-CD1 3.8Å; Y772-F794 AromaticContact CE1-CE1 3.91Å; Y772-F794 HydrophobicContact CE1-CE1 3.91Å; Y772-F794 HydrophobicContact CE2-CB 3.61Å; Y772-F794 AromaticContact CE2-CD1 3.42Å; Y772-F794 HydrophobicContact CE2-CD1 3.42Å; Y772-F794 VanDerWaalsContact CE2-CD1 3.42Å; Y772-F794 AromaticContact CE2-CD2 3.85Å; Y772-F794 HydrophobicContact CE2-CD2 3.85Å; Y772-F794 AromaticContact CE2-CE1 3.99Å; Y772-F794 HydrophobicContact CE2-CE1 3.99Å; Y772-F794 HydrophobicContact CE2-CE2 4.36Å; Y772-F794 AromaticContact CE2-CG 3.34Å; Y772-F794 HydrophobicContact CE2-CG 3.34Å; Y772-F794 HydrophobicContact CE2-CZ 4.42Å; Y772-F794 AromaticContact CG-CD1 3.97Å; Y772-F794 HydrophobicContact CG-CD1 3.97Å; Y772-F794 HydrophobicContact CG-CD2 4.37Å; Y772-F794 AromaticContact CG-CE1 3.63Å; Y772-F794 HydrophobicContact CG-CE1 3.63Å; Y772-F794 HydrophobicContact CG-CE2 4.06Å; Y772-F794 HydrophobicContact CG-CG 4.33Å; Y772-F794 AromaticContact CG-CZ 3.68Å; Y772-F794 HydrophobicContact CG-CZ 3.68Å; Y772-F794 AromaticContact CZ-CD1 3.46Å; Y772-F794 VanDerWaalsContact CZ-CD1 3.46Å; Y772-F794 AromaticContact CZ-CG 3.85Å; R787-F794 PolarHBondContact NH1-O 2.95Å; R787-F794 PolarHBondContact NH2-O 3.46Å; W790-F794 HydrophobicContact CB-CD2 4.19Å; W790-F794 HydrophobicContact CD2-CD2 4.46Å; W790-F794 HydrophobicContact CE3-CD2 4.28Å; W790-F794 HydrophobicContact CE3-CE2 4.33Å; W790-F794 HydrophobicContact CG-CD2 4.45Å; E792-F794 VanDerWaalsContact C-N 3.27Å; E792-F794 PolarHBondContact O-N 3.18Å
795K90.3Very high90.3Very high91 Ų9144 Ų4440%0.39622%0.224SC..  trans-72.7164.2172.7-68.4-164.6-177.4-169.30111.6E797 E810 Q811 D812 S814K795-E797 PolarHBondContact O-N 3.46Å; K795-E810 PolarHBondContact NZ-O 3.43Å; K795-Q811 WeakPolarHBondContact CE-O 3.28Å; K795-D812 WeakPolarHBondContact CA-O 3.4Å; K795-S814 WeakPolarHBondContact CB-OG 3.45Å
796N90.9Very high90.5Very high21 Ų2143.4 Ų43.411%0.11222%0.222CC..EExtended strand (participates in β ladder)trans-78.996.9167.6-64.1-52.6000108.8F784 R787 D812 W813 S814F784-N796 HydrophobicContact CE1-CB 3.86Å; F784-N796 HydrophobicContact CZ-CB 3.9Å; R787-N796 WeakPolarHBondContact CD-OD1 3.43Å; R787-N796 VanDerWaalsContact CZ-OD1 3.32Å; R787-N796 PolarHBondContact NE-OD1 3.15Å; R787-N796 PolarHBondContact NH1-OD1 3.11Å; N796-D812 PolarHBondContact N-O 3.3Å; N796-D812 PolarHBondContact ND2-O 2.87Å; N796-W813 HydrophobicContact CB-CD2 3.62Å; N796-W813 HydrophobicContact CB-CE3 3.35Å; N796-W813 HydrophobicContact CB-CG 4.24Å; N796-W813 HydrophobicContact CB-CH2 4.12Å; N796-W813 HydrophobicContact CB-CZ2 4.34Å; N796-W813 HydrophobicContact CB-CZ3 3.64Å; N796-W813 WeakPolarHBondContact O-CA 3.33Å; N796-S814 PolarHBondContact O-N 2.62Å; N796-S814 VanDerWaalsContact O-N 3.1Å
797E92.4Very high90.5Very high42 Ų4249.4 Ų49.420%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-82.4126178.6-66-176.4-17900110.8Y772 R783 F784 K795 S814 L816Y772-E797 PolarHBondContact OH-OE1 3.3Å; Y772-E797 PolarHBondContact OH-OE2 3.46Å; R783-E797 IonicContact CZ-OE2 3.52Å; R783-E797 IonicContact NH1-OE2 2.77Å; R783-E797 PolarHBondContact NH1-OE2 2.98Å; R783-E797 IonicContact NH2-OE2 3.81Å; F784-E797 WeakPolarHBondContact CE2-O 3.43Å; K795-E797 PolarHBondContact O-N 3.46Å; E797-S814 WeakPolarHBondContact CA-O 3.31Å; E797-L816 HydrophobicContact CB-CD1 3.82Å; E797-L816 HydrophobicContact CB-CD2 4.23Å; E797-L816 HydrophobicContact CB-CG 3.95Å; E797-L816 HydrophobicContact CG-CD2 4.45Å
798V93.6Very high90.6Very high0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-137.9159.6-172.8-68.90000110.7W780 F784 S800 L802 L803 W813 S814 G815 L816W780-V798 HydrophobicContact CZ3-CG1 4.21Å; F784-V798 HydrophobicContact CE2-CG1 3.87Å; F784-V798 HydrophobicContact CZ-CG1 3.61Å; V798-S800 PolarHBondContact O-N 3.49Å; V798-L802 HydrophobicContact CB-CD2 3.81Å; V798-L802 HydrophobicContact CG1-CD2 3.87Å; V798-L802 HydrophobicContact CG2-CB 4.47Å; V798-L802 HydrophobicContact CG2-CD2 4.05Å; V798-L803 HydrophobicContact CG2-CD2 4.27Å; V798-W813 HydrophobicContact CG1-CE3 3.76Å; V798-W813 HydrophobicContact CG1-CZ3 3.71Å; V798-W813 HydrophobicContact CG2-CE3 4.37Å; V798-S814 PolarHBondContact N-O 3.22Å; V798-G815 CarbonylContact O-C 3.44Å; V798-G815 WeakPolarHBondContact O-CA 3.32Å; V798-L816 PolarHBondContact O-N 2.99Å
799P94.9Very high90.6Very high0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-57.1134.8174.4-21.332.1000111.2W780 S801 L802 L818 Y821 A829W780-P799 HydrophobicContact CD2-CG 3.92Å; W780-P799 HydrophobicContact CG-CG 4.27Å; W780-P799 HydrophobicContact CZ2-CG 3.92Å; P799-S801 PolarHBondContact O-N 3.29Å; P799-L802 VanDerWaalsContact O-CB 3.31Å; P799-L802 WeakPolarHBondContact O-CB 3.31Å; P799-L802 PolarHBondContact O-N 3.02Å; P799-L818 HydrophobicContact CG-CD1 4.15Å; P799-Y821 HydrophobicContact CB-CD1 3.8Å; P799-Y821 HydrophobicContact CB-CD2 4.12Å; P799-Y821 HydrophobicContact CB-CE1 4.44Å; P799-Y821 HydrophobicContact CB-CG 3.61Å; P799-Y821 HydrophobicContact CG-CD1 3.83Å; P799-Y821 HydrophobicContact CG-CD2 4Å; P799-Y821 HydrophobicContact CG-CE1 3.96Å; P799-Y821 HydrophobicContact CG-CE2 4.13Å; P799-Y821 HydrophobicContact CG-CG 3.85Å; P799-A829 HydrophobicContact CB-CB 4.23Å; P799-A829 HydrophobicContact CG-CB 3.9Å
800S93.2Very high90.3Very high40 Ų4055.4 Ų55.428%0.2829%0.286SS..G310 helixtrans-54.1-31.1-177.3-66.20000113.2V798 L802 L803 L816 D817V798-S800 PolarHBondContact O-N 3.49Å; S800-L802 VanDerWaalsContact C-N 3.27Å; S800-L802 PolarHBondContact O-N 3.33Å; S800-L803 PolarHBondContact O-N 2.98Å; S800-L816 PolarHBondContact N-O 3.13Å; S800-L816 VanDerWaalsContact OG-C 3.24Å; S800-L816 PolarHBondContact OG-N 3.38Å; S800-L816 PolarHBondContact OG-O 3.14Å; S800-D817 WeakPolarHBondContact CB-OD1 3.48Å; S800-D817 PolarHBondContact OG-OD1 2.75Å
801S92.7Very high90.2Very high5 Ų563 Ų634%0.03532%0.322CS..G310 helixtrans-66.2-20.3176.563.80000114.6P799 L803 E804 T825 G826P799-S801 PolarHBondContact O-N 3.29Å; S801-L803 VanDerWaalsContact C-N 3.26Å; S801-L803 PolarHBondContact O-N 3.31Å; S801-E804 WeakPolarHBondContact O-CB 3.46Å; S801-E804 PolarHBondContact O-N 3.11Å; S801-T825 WeakPolarHBondContact CB-OG1 3.34Å; S801-T825 PolarHBondContact OG-OG1 2.74Å; S801-G826 WeakPolarHBondContact O-CA 3.23Å
802L93.5Very high90.3Very high0 Ų065.2 Ų65.20%033%0.325CS..G310 helixtrans-65-33.3173.8-178.958.2000111.8V798 P799 S800 E804 V805 C806 L808 A829 W830 M844V798-L802 HydrophobicContact CB-CD2 3.81Å; V798-L802 HydrophobicContact CG1-CD2 3.87Å; V798-L802 HydrophobicContact CG2-CB 4.47Å; V798-L802 HydrophobicContact CG2-CD2 4.05Å; P799-L802 VanDerWaalsContact O-CB 3.31Å; P799-L802 WeakPolarHBondContact O-CB 3.31Å; P799-L802 PolarHBondContact O-N 3.02Å; S800-L802 VanDerWaalsContact C-N 3.27Å; S800-L802 PolarHBondContact O-N 3.33Å; L802-E804 PolarHBondContact O-N 3.38Å; L802-V805 HydrophobicContact CD1-CG2 4.02Å; L802-V805 VanDerWaalsContact O-CG2 3.27Å; L802-V805 WeakPolarHBondContact O-CG2 3.35Å; L802-V805 PolarHBondContact O-N 2.97Å; L802-V805 VanDerWaalsContact O-N 3.11Å; L802-C806 PolarHBondContact O-N 3.17Å; L802-C806 VanDerWaalsContact O-N 3.15Å; L802-L808 HydrophobicContact CD2-CD1 4.27Å; L802-L808 HydrophobicContact CG-CD1 4.42Å; L802-A829 HydrophobicContact CB-CB 4.06Å; L802-A829 HydrophobicContact CD1-CB 4.41Å; L802-W830 HydrophobicContact CD1-CB 3.63Å; L802-W830 HydrophobicContact CD1-CG 4.24Å; L802-M844 HydrophobicContact CD1-SD 4.35Å; L802-M844 HydrophobicContact CD2-SD 4.24Å
803L92.1Very high90.8Very high73 Ų7357.1 Ų57.138%0.38229%0.286SS..G310 helixtrans-73.6-11.3179.1-53179000112.2V798 S800 S801 V805 L808V798-L803 HydrophobicContact CG2-CD2 4.27Å; S800-L803 PolarHBondContact O-N 2.98Å; S801-L803 VanDerWaalsContact C-N 3.26Å; S801-L803 PolarHBondContact O-N 3.31Å; L803-V805 VanDerWaalsContact C-N 3.29Å; L803-L808 HydrophobicContact CD2-CB 4.21Å; L803-L808 HydrophobicContact CD2-CD1 4.04Å
804E88.4Confident91.2Very high114 Ų11453.9 Ų53.953%0.53328%0.275SS..G310 helixtrans-76.1-15.2169.3-56.7-174.1141.200112.7S801 L802S801-E804 WeakPolarHBondContact O-CB 3.46Å; S801-E804 PolarHBondContact O-N 3.11Å; L802-E804 PolarHBondContact O-N 3.38Å
805V90.3Very high91.3Very high29 Ų2953.5 Ų53.518%0.17628%0.283CS..THydrogen-bonded Turntrans-125.5-5.3-174.6-580000114.8L802 L803 L827 W830 S849L802-V805 HydrophobicContact CD1-CG2 4.02Å; L802-V805 VanDerWaalsContact O-CG2 3.27Å; L802-V805 WeakPolarHBondContact O-CG2 3.35Å; L802-V805 PolarHBondContact O-N 2.97Å; L802-V805 VanDerWaalsContact O-N 3.11Å; L803-V805 VanDerWaalsContact C-N 3.29Å; V805-L827 HydrophobicContact CB-CD2 4.22Å; V805-L827 HydrophobicContact CG1-CD2 4.07Å; V805-L827 HydrophobicContact CG1-CG 4.33Å; V805-L827 HydrophobicContact CG2-CD2 4.36Å; V805-W830 HydrophobicContact CG2-CB 4.31Å; V805-S849 PolarHBondContact O-N 3.16Å; V805-S849 PolarHBondContact O-OG 3.34Å
806C92Very high91.4Very high2 Ų251 Ų511%0.01427%0.273CS..BIsolated β-bridgetrans-141131.2176.3-82.60000113.3L802 L808 W830 C847 S849L802-C806 PolarHBondContact O-N 3.17Å; L802-C806 VanDerWaalsContact O-N 3.15Å; C806-L808 HydrophobicContact CB-CD1 4.23Å; C806-L808 HydrophobicContact CB-CD2 4.47Å; C806-L808 HydrophobicContact CB-CG 3.91Å; C806-L808 PolarHBondContact O-N 3.37Å; C806-W830 PolarHBondContact SG-NE1 3.13Å; C806-C847 CarbonylContact C-O 3.57Å; C806-C847 VanDerWaalsContact CA-O 3.25Å; C806-C847 WeakPolarHBondContact CA-O 3.38Å; C806-C847 HydrophobicContact CB-CB 4.35Å; C806-S849 VanDerWaalsContact CA-OG 3.3Å; C806-S849 WeakPolarHBondContact CA-OG 3.22Å; C806-S849 PolarHBondContact N-OG 3.13Å
807D91.4Very high91.3Very high125 Ų12557.1 Ų57.167%0.66831%0.306SS*.  trans-76.766.9174.9-63.7-75000110.8C847 S849D807-C847 PolarHBondContact N-O 3.18Å; D807-S849 PolarHBondContact N-OG 3.26Å; D807-S849 VanDerWaalsContact N-OG 3.11Å; D807-S849 VanDerWaalsContact OD2-CB 3.32Å; D807-S849 WeakPolarHBondContact OD2-CB 3.42Å; D807-S849 PolarHBondContact OD2-OG 3.47Å
808L92Very high91.1Very high18 Ų1857.4 Ų57.49%0.09431%0.309CS..  trans-83.8141.7179.5-64.1171.5000111.6L802 L803 C806 E810 W813 T843 M844 C847L802-L808 HydrophobicContact CD2-CD1 4.27Å; L802-L808 HydrophobicContact CG-CD1 4.42Å; L803-L808 HydrophobicContact CD2-CB 4.21Å; L803-L808 HydrophobicContact CD2-CD1 4.04Å; C806-L808 HydrophobicContact CB-CD1 4.23Å; C806-L808 HydrophobicContact CB-CD2 4.47Å; C806-L808 HydrophobicContact CB-CG 3.91Å; C806-L808 PolarHBondContact O-N 3.37Å; L808-E810 PolarHBondContact O-N 3.08Å; L808-W813 HydrophobicContact CB-CB 4.26Å; L808-W813 HydrophobicContact CB-CD2 4.29Å; L808-W813 HydrophobicContact CB-CG 3.91Å; L808-W813 HydrophobicContact CD1-CD2 3.92Å; L808-W813 HydrophobicContact CD1-CE3 3.86Å; L808-W813 HydrophobicContact CD1-CG 4.34Å; L808-W813 HydrophobicContact CD1-CZ3 4.28Å; L808-W813 HydrophobicContact CD2-CD2 4.4Å; L808-W813 HydrophobicContact CD2-CZ2 4.34Å; L808-W813 HydrophobicContact CG-CD2 4.43Å; L808-T843 HydrophobicContact CD2-CG2 4.13Å; L808-M844 HydrophobicContact CD1-CE 3.9Å; L808-M844 HydrophobicContact CD1-SD 4.49Å; L808-M844 HydrophobicContact CD2-CE 3.86Å; L808-C847 HydrophobicContact CD2-CB 3.86Å
809P90.1Very high90.6Very high59 Ų5963.3 Ų63.338%0.38335%0.348SS..  trans-71.1123.5-176.126.2-32.9000112.4Q811 D812 W813P809-Q811 PolarHBondContact O-N 3.5Å; P809-D812 PolarHBondContact O-N 2.85Å; P809-D812 VanDerWaalsContact O-N 3.07Å; P809-W813 PolarHBondContact O-N 2.62Å
810E86.8Confident90.1Very high169 Ų16969.6 Ų69.679%0.7938%0.377SS*.THydrogen-bonded Turntrans-56-16.1177.8-63.5-176.6176.200114.5K795 L808K795-E810 PolarHBondContact NZ-O 3.43Å; L808-E810 PolarHBondContact O-N 3.08Å
811Q87.3Confident89.8Confident164 Ų16469.1 Ų69.177%0.76637%0.369SS*.THydrogen-bonded Turntrans-70.6-43.3177-63-175.310.600111K795 P809K795-Q811 WeakPolarHBondContact CE-O 3.28Å; P809-Q811 PolarHBondContact O-N 3.5Å
812D87.7Confident89.5Confident83 Ų8370.8 Ų70.844%0.44439%0.387SS..THydrogen-bonded Turntrans-102.2-17.4-171.7-49.3-52.5000113.7K795 N796 P809K795-D812 WeakPolarHBondContact CA-O 3.4Å; N796-D812 PolarHBondContact N-O 3.3Å; N796-D812 PolarHBondContact ND2-O 2.87Å; P809-D812 PolarHBondContact O-N 2.85Å; P809-D812 VanDerWaalsContact O-N 3.07Å
813W92.7Very high89Confident19 Ų1979.5 Ų79.57%0.07243%0.428CS..EExtended strand (participates in β ladder)trans-122.4155.7-173.2-58.580.5000112.5F784 N796 V798 L808 P809 L840 T843 M844F784-W813 HydrophobicContact CE1-CH2 4.08Å; F784-W813 AromaticContact CE1-CZ3 3.87Å; F784-W813 HydrophobicContact CE1-CZ3 3.87Å; F784-W813 HydrophobicContact CZ-CH2 4.41Å; F784-W813 AromaticContact CZ-CZ3 3.75Å; F784-W813 HydrophobicContact CZ-CZ3 3.75Å; N796-W813 HydrophobicContact CB-CD2 3.62Å; N796-W813 HydrophobicContact CB-CE3 3.35Å; N796-W813 HydrophobicContact CB-CG 4.24Å; N796-W813 HydrophobicContact CB-CH2 4.12Å; N796-W813 HydrophobicContact CB-CZ2 4.34Å; N796-W813 HydrophobicContact CB-CZ3 3.64Å; N796-W813 WeakPolarHBondContact O-CA 3.33Å; V798-W813 HydrophobicContact CG1-CE3 3.76Å; V798-W813 HydrophobicContact CG1-CZ3 3.71Å; V798-W813 HydrophobicContact CG2-CE3 4.37Å; L808-W813 HydrophobicContact CB-CB 4.26Å; L808-W813 HydrophobicContact CB-CD2 4.29Å; L808-W813 HydrophobicContact CB-CG 3.91Å; L808-W813 HydrophobicContact CD1-CD2 3.92Å; L808-W813 HydrophobicContact CD1-CE3 3.86Å; L808-W813 HydrophobicContact CD1-CG 4.34Å; L808-W813 HydrophobicContact CD1-CZ3 4.28Å; L808-W813 HydrophobicContact CD2-CD2 4.4Å; L808-W813 HydrophobicContact CD2-CZ2 4.34Å; L808-W813 HydrophobicContact CG-CD2 4.43Å; P809-W813 PolarHBondContact O-N 2.62Å; W813-L840 HydrophobicContact CH2-CD2 3.79Å; W813-T843 HydrophobicContact CZ2-CG2 4.14Å; W813-M844 HydrophobicContact CH2-CE 3.48Å; W813-M844 VanDerWaalsContact CH2-CE 3.48Å; W813-M844 HydrophobicContact CZ2-CE 4.09Å; W813-M844 HydrophobicContact CZ3-CE 3.83Å
814S93.4Very high88.5Confident34 Ų3479 Ų7924%0.23844%0.44CS..EExtended strand (participates in β ladder)trans-154142.8174.238.40000112.3K795 N796 E797 V798K795-S814 WeakPolarHBondContact CB-OG 3.45Å; N796-S814 PolarHBondContact O-N 2.62Å; N796-S814 VanDerWaalsContact O-N 3.1Å; E797-S814 WeakPolarHBondContact CA-O 3.31Å; V798-S814 PolarHBondContact N-O 3.22Å
815G91.6Very high88.6Confident35 Ų3575.1 Ų75.136%0.36142%0.424SS..EExtended strand (participates in β ladder)trans-78147.4178.400000113.6V798V798-G815 CarbonylContact O-C 3.44Å; V798-G815 WeakPolarHBondContact O-CA 3.32Å
816L91.8Very high88.8Confident38 Ų3873.8 Ų73.820%0.19942%0.416CS..EExtended strand (participates in β ladder)trans-120.6129.4171-64.7-179.6000109.9E797 V798 S800 L818E797-L816 HydrophobicContact CB-CD1 3.82Å; E797-L816 HydrophobicContact CB-CD2 4.23Å; E797-L816 HydrophobicContact CB-CG 3.95Å; E797-L816 HydrophobicContact CG-CD2 4.45Å; V798-L816 PolarHBondContact O-N 2.99Å; S800-L816 PolarHBondContact N-O 3.13Å; S800-L816 VanDerWaalsContact OG-C 3.24Å; S800-L816 PolarHBondContact OG-N 3.38Å; S800-L816 PolarHBondContact OG-O 3.14Å; L816-L818 VanDerWaalsContact C-N 3.31Å; L816-L818 HydrophobicContact CB-CD2 4.11Å; L816-L818 HydrophobicContact CB-CG 3.95Å; L816-L818 HydrophobicContact CD1-CD2 4.44Å; L816-L818 PolarHBondContact O-N 2.67Å
817D88.7Confident88.8Confident150 Ų15074.9 Ų74.980%0.80242%0.422SS*.  trans-84.274.8178.1-63.2-23.9000110.4S800S800-D817 WeakPolarHBondContact CB-OD1 3.48Å; S800-D817 PolarHBondContact OG-OD1 2.75Å
818L88.4Confident88.9Confident48 Ų4870.2 Ų70.225%0.25140%0.397SS..  trans-84132.2-178.4-59.7-178.5000111.7W780 P799 L816 E820 Y821W780-L818 HydrophobicContact CB-CD1 4.09Å; W780-L818 HydrophobicContact CG-CD1 3.97Å; P799-L818 HydrophobicContact CG-CD1 4.15Å; L816-L818 VanDerWaalsContact C-N 3.31Å; L816-L818 HydrophobicContact CB-CD2 4.11Å; L816-L818 HydrophobicContact CB-CG 3.95Å; L816-L818 HydrophobicContact CD1-CD2 4.44Å; L816-L818 PolarHBondContact O-N 2.67Å; L818-E820 VanDerWaalsContact C-N 3.25Å; L818-E820 PolarHBondContact O-N 3Å; L818-Y821 HydrophobicContact CB-CD2 3.89Å; L818-Y821 HydrophobicContact CD1-CD2 3.99Å; L818-Y821 HydrophobicContact CD1-CE2 4.23Å; L818-Y821 PolarHBondContact O-N 3.37Å
819P84.4Confident89Confident125 Ų12569.3 Ų69.381%0.81239%0.392SS*.THydrogen-bonded Turntrans-57.9-29.6-178.2-2736.2000115.7Y821P819-Y821 VanDerWaalsContact C-N 3.32Å
820E83.5Confident89.2Confident132 Ų13266.5 Ų66.562%0.61737%0.374SS*.THydrogen-bonded Turntrans-72.4-23.9178.2-61.482.5176.700112.6L818L818-E820 VanDerWaalsContact C-N 3.25Å; L818-E820 PolarHBondContact O-N 3Å
821Y87.8Confident89.5Confident29 Ų2958.5 Ų58.511%0.11434%0.336CS..  trans-109.670.3-168.7-69-91000112.5W780 P799 L818 P819 T825 L828 A829 E832W780-Y821 AromaticContact CD1-CE2 3.95Å; W780-Y821 AromaticContact NE1-CE2 3.49Å; W780-Y821 AromaticContact NE1-CZ 3.33Å; W780-Y821 VanDerWaalsContact NE1-CZ 3.33Å; W780-Y821 PolarHBondContact NE1-OH 3.48Å; P799-Y821 HydrophobicContact CB-CD1 3.8Å; P799-Y821 HydrophobicContact CB-CD2 4.12Å; P799-Y821 HydrophobicContact CB-CE1 4.44Å; P799-Y821 HydrophobicContact CB-CG 3.61Å; P799-Y821 HydrophobicContact CG-CD1 3.83Å; P799-Y821 HydrophobicContact CG-CD2 4Å; P799-Y821 HydrophobicContact CG-CE1 3.96Å; P799-Y821 HydrophobicContact CG-CE2 4.13Å; P799-Y821 HydrophobicContact CG-CG 3.85Å; L818-Y821 HydrophobicContact CB-CD2 3.89Å; L818-Y821 HydrophobicContact CD1-CD2 3.99Å; L818-Y821 HydrophobicContact CD1-CE2 4.23Å; L818-Y821 PolarHBondContact O-N 3.37Å; P819-Y821 VanDerWaalsContact C-N 3.32Å; Y821-T825 VanDerWaalsContact C-OG1 3.23Å; Y821-T825 WeakPolarHBondContact CA-OG1 3.42Å; Y821-L828 HydrophobicContact CE1-CD2 4.24Å; Y821-L828 HydrophobicContact CE1-CG 4.49Å; Y821-A829 HydrophobicContact CD1-CB 4.12Å; Y821-A829 HydrophobicContact CE1-CB 3.96Å; Y821-E832 WeakPolarHBondContact CE1-OE2 3.46Å; Y821-E832 VanDerWaalsContact OH-CD 3.28Å; Y821-E832 PolarHBondContact OH-OE1 3.07Å; Y821-E832 PolarHBondContact OH-OE2 2.96Å
822G84.9Confident89.7Confident40 Ų4051.3 Ų51.341%0.41230%0.303SS..  trans-71.8179.7175.300000115.2G824 T825G822-G824 PolarHBondContact O-N 3.25Å; G822-T825 PolarHBondContact N-OG1 3.18Å; G822-T825 WeakPolarHBondContact O-CB 3.39Å; G822-T825 VanDerWaalsContact O-CG2 3.31Å; G822-T825 WeakPolarHBondContact O-CG2 3.49Å; G822-T825 PolarHBondContact O-N 3.37Å; G822-T825 VanDerWaalsContact O-N 3.08Å; G822-T825 PolarHBondContact O-OG1 3.41Å
823Q82.8Confident90Very high184 Ų18447.3 Ų47.386%0.8628%0.282SS*.THydrogen-bonded Turntrans-53.1131.4177.4-172.217922.400111.6T825Q823-T825 VanDerWaalsContact C-N 3.33Å
824G83.4Confident90Very high61 Ų6146.4 Ų46.463%0.62928%0.278SS*.THydrogen-bonded Turntrans83.3-2-178.800000115.7G822 G826G822-G824 PolarHBondContact O-N 3.25Å; G824-G826 VanDerWaalsContact C-N 3.25Å; G824-G826 PolarHBondContact O-N 3.13Å
825T90.4Very high90Very high34 Ų3445.1 Ų45.121%0.20927%0.269CS..THydrogen-bonded Turntrans-77.8-3.6172.2610000113.9S801 Y821 G822 Q823 L827 L828 A829S801-T825 WeakPolarHBondContact CB-OG1 3.34Å; S801-T825 PolarHBondContact OG-OG1 2.74Å; Y821-T825 VanDerWaalsContact C-OG1 3.23Å; Y821-T825 WeakPolarHBondContact CA-OG1 3.42Å; G822-T825 PolarHBondContact N-OG1 3.18Å; G822-T825 WeakPolarHBondContact O-CB 3.39Å; G822-T825 VanDerWaalsContact O-CG2 3.31Å; G822-T825 WeakPolarHBondContact O-CG2 3.49Å; G822-T825 PolarHBondContact O-N 3.37Å; G822-T825 VanDerWaalsContact O-N 3.08Å; G822-T825 PolarHBondContact O-OG1 3.41Å; Q823-T825 VanDerWaalsContact C-N 3.33Å; T825-L827 PolarHBondContact O-N 3.22Å; T825-L827 VanDerWaalsContact O-N 3.1Å; T825-L828 WeakPolarHBondContact O-CA 3.27Å; T825-L828 VanDerWaalsContact O-CB 3.28Å; T825-L828 WeakPolarHBondContact O-CB 3.4Å; T825-L828 PolarHBondContact O-N 2.84Å; T825-A829 PolarHBondContact O-N 3.34Å
826G92.8Very high89.9Confident1 Ų144.1 Ų44.11%0.0126%0.255CS..Hα-helixtrans-54-35.6-174.400000114.9S801 G824 L828 A829 W830S801-G826 WeakPolarHBondContact O-CA 3.23Å; G824-G826 VanDerWaalsContact C-N 3.25Å; G824-G826 PolarHBondContact O-N 3.13Å; G826-L828 VanDerWaalsContact C-N 3.33Å; G826-L828 PolarHBondContact O-N 3.25Å; G826-A829 PolarHBondContact O-N 3.18Å; G826-W830 VanDerWaalsContact O-CB 3.27Å; G826-W830 WeakPolarHBondContact O-CB 3.3Å; G826-W830 PolarHBondContact O-N 3.03Å
827L93.6Very high89.9Confident24 Ų2444.2 Ų44.213%0.12626%0.259CS..Hα-helixtrans-71.3-23.3176.2-64.6-179.3000113.8V805 T825 M831 F861 A868V805-L827 HydrophobicContact CB-CD2 4.22Å; V805-L827 HydrophobicContact CG1-CD2 4.07Å; V805-L827 HydrophobicContact CG1-CG 4.33Å; V805-L827 HydrophobicContact CG2-CD2 4.36Å; T825-L827 PolarHBondContact O-N 3.22Å; T825-L827 VanDerWaalsContact O-N 3.1Å; L827-M831 WeakPolarHBondContact O-CB 3.46Å; L827-M831 VanDerWaalsContact O-CG 3.22Å; L827-M831 WeakPolarHBondContact O-CG 3.28Å; L827-M831 PolarHBondContact O-N 3.32Å; L827-M831 VanDerWaalsContact O-N 3.13Å; L827-F861 HydrophobicContact CD1-CD2 4.12Å; L827-F861 HydrophobicContact CD1-CE2 4.45Å; L827-F861 HydrophobicContact CD2-CD2 3.9Å; L827-F861 HydrophobicContact CD2-CE2 3.63Å; L827-A868 HydrophobicContact CB-CB 4.22Å
828L92.9Very high90.1Very high27 Ų2740.5 Ų40.514%0.14124%0.239CC..Hα-helixtrans-70.4-54.4170.6-18066.8000109.7Y821 T825 G826 W830 M831 E832 Q871Y821-L828 HydrophobicContact CE1-CD2 4.24Å; Y821-L828 HydrophobicContact CE1-CG 4.49Å; T825-L828 WeakPolarHBondContact O-CA 3.27Å; T825-L828 VanDerWaalsContact O-CB 3.28Å; T825-L828 WeakPolarHBondContact O-CB 3.4Å; T825-L828 PolarHBondContact O-N 2.84Å; G826-L828 VanDerWaalsContact C-N 3.33Å; G826-L828 PolarHBondContact O-N 3.25Å; L828-W830 PolarHBondContact O-N 3.16Å; L828-M831 WeakPolarHBondContact O-CB 3.47Å; L828-M831 PolarHBondContact O-N 2.97Å; L828-E832 WeakPolarHBondContact O-CG 3.5Å; L828-E832 PolarHBondContact O-N 2.9Å; L828-Q871 HydrophobicContact CD1-CB 3.8Å
829A93.3Very high90.2Very high0 Ų042.4 Ų42.40%026%0.257CS..Hα-helixtrans-57.2-33.717700000112.6W780 P799 L802 Y821 T825 G826 C833W780-A829 HydrophobicContact CZ2-CB 4.37Å; P799-A829 HydrophobicContact CB-CB 4.23Å; P799-A829 HydrophobicContact CG-CB 3.9Å; L802-A829 HydrophobicContact CB-CB 4.06Å; L802-A829 HydrophobicContact CD1-CB 4.41Å; Y821-A829 HydrophobicContact CD1-CB 4.12Å; Y821-A829 HydrophobicContact CE1-CB 3.96Å; T825-A829 PolarHBondContact O-N 3.34Å; G826-A829 PolarHBondContact O-N 3.18Å; A829-C833 WeakPolarHBondContact O-CB 3.3Å; A829-C833 PolarHBondContact O-N 3.48Å; A829-C833 PolarHBondContact O-SG 3.16Å
830W94.7Very high90.5Very high0 Ų037.4 Ų37.40%022%0.223CC..Hα-helixtrans-67.9-44.5175.4-173.185000112.6L802 V805 C806 G826 L828 C833 C834 M844 L845 L848 L865 V887 L891L802-W830 HydrophobicContact CD1-CB 3.63Å; L802-W830 HydrophobicContact CD1-CG 4.24Å; V805-W830 HydrophobicContact CG2-CB 4.31Å; C806-W830 PolarHBondContact SG-NE1 3.13Å; G826-W830 VanDerWaalsContact O-CB 3.27Å; G826-W830 WeakPolarHBondContact O-CB 3.3Å; G826-W830 PolarHBondContact O-N 3.03Å; L828-W830 PolarHBondContact O-N 3.16Å; W830-C833 PolarHBondContact O-N 3.41Å; W830-C834 WeakPolarHBondContact O-CB 3.49Å; W830-C834 PolarHBondContact O-N 2.99Å; W830-C834 PolarHBondContact O-SG 3.1Å; W830-M844 HydrophobicContact CZ2-CB 4.41Å; W830-M844 PolarHBondContact NE1-O 3.37Å; W830-L845 HydrophobicContact CH2-CD2 4.22Å; W830-L845 HydrophobicContact CZ2-CD2 4.3Å; W830-L848 HydrophobicContact CH2-CD2 4.39Å; W830-L848 HydrophobicContact CZ2-CB 4.37Å; W830-L848 HydrophobicContact CZ2-CD1 4.16Å; W830-L848 HydrophobicContact CZ2-CD2 3.98Å; W830-L848 HydrophobicContact CZ2-CG 4.4Å; W830-L865 HydrophobicContact CE3-CD1 4.33Å; W830-L865 HydrophobicContact CZ3-CD1 4.1Å; W830-V887 HydrophobicContact CH2-CG1 3.46Å; W830-V887 VanDerWaalsContact CH2-CG1 3.46Å; W830-V887 HydrophobicContact CZ3-CG1 3.65Å; W830-L891 HydrophobicContact CH2-CD1 3.96Å; W830-L891 HydrophobicContact CH2-CD2 4.47Å; W830-L891 HydrophobicContact CZ3-CD1 4.24Å
831M92.9Very high91.1Very high0 Ų033.4 Ų33.40%020%0.202CC..Hα-helixtrans-64.3-40.9174.2-78-65.1-64.400111.6L827 L828 C834 S835 L865 A868 L869 L884L827-M831 WeakPolarHBondContact O-CB 3.46Å; L827-M831 VanDerWaalsContact O-CG 3.22Å; L827-M831 WeakPolarHBondContact O-CG 3.28Å; L827-M831 PolarHBondContact O-N 3.32Å; L827-M831 VanDerWaalsContact O-N 3.13Å; L828-M831 WeakPolarHBondContact O-CB 3.47Å; L828-M831 PolarHBondContact O-N 2.97Å; M831-C834 WeakPolarHBondContact O-CB 3.17Å; M831-C834 PolarHBondContact O-N 2.87Å; M831-S835 PolarHBondContact O-N 2.93Å; M831-S835 VanDerWaalsContact O-N 3.11Å; M831-L865 HydrophobicContact CG-CD1 3.95Å; M831-L865 HydrophobicContact SD-CD1 3.67Å; M831-A868 HydrophobicContact CG-CB 4.07Å; M831-L869 HydrophobicContact CE-CD2 3.37Å; M831-L869 HydrophobicContact CE-CG 4.04Å; M831-L884 HydrophobicContact CE-CB 4.31Å; M831-L884 HydrophobicContact CE-CD1 3.75Å; M831-L884 HydrophobicContact CE-CD2 3.66Å; M831-L884 HydrophobicContact CE-CG 4.09Å; M831-L884 WeakPolarHBondContact O-CD2 3.25Å; M831-L884 HydrophobicContact SD-CD2 4.29Å
832E92.1Very high91.4Very high13 Ų1335.1 Ų35.16%0.06122%0.218CC..Hα-helixtrans-61.6-50.6175.5-70.7173.8133.900110.7Y720 W780 Y821 L828 C834 S835 L836Y720-E832 PolarHBondContact OH-OE1 3.48Å; W780-E832 HydrophobicContact CH2-CB 4.16Å; W780-E832 HydrophobicContact CZ2-CB 3.94Å; Y821-E832 WeakPolarHBondContact CE1-OE2 3.46Å; Y821-E832 VanDerWaalsContact OH-CD 3.28Å; Y821-E832 PolarHBondContact OH-OE1 3.07Å; Y821-E832 PolarHBondContact OH-OE2 2.96Å; L828-E832 WeakPolarHBondContact O-CG 3.5Å; L828-E832 PolarHBondContact O-N 2.9Å; E832-C834 VanDerWaalsContact C-N 3.3Å; E832-C834 PolarHBondContact O-N 3.47Å; E832-S835 WeakPolarHBondContact O-CB 3.44Å; E832-S835 PolarHBondContact O-N 3.29Å; E832-S835 PolarHBondContact O-OG 2.94Å; E832-L836 WeakPolarHBondContact O-CG 3.4Å
833C92.8Very high91.8Very high0 Ų035.1 Ų35.10%021%0.21CC..Hα-helixtrans-52.5-45.3172.4-76.50000112.8W780 A829 W830 S835 L836 L840 M844W780-C833 VanDerWaalsContact CH2-SG 3.51Å; A829-C833 WeakPolarHBondContact O-CB 3.3Å; A829-C833 PolarHBondContact O-N 3.48Å; A829-C833 PolarHBondContact O-SG 3.16Å; W830-C833 PolarHBondContact O-N 3.41Å; C833-S835 PolarHBondContact O-N 3.41Å; C833-L836 PolarHBondContact O-N 3.45Å; C833-L840 WeakPolarHBondContact O-CB 3.41Å; C833-M844 HydrophobicContact CB-CE 4.43Å; C833-M844 HydrophobicContact CB-CG 3.68Å; C833-M844 HydrophobicContact CB-SD 3.93Å
834C94.1Very high92.4Very high0 Ų026.3 Ų26.30%017%0.169CC..Hα-helixtrans-63.4-26178.6-77.60000114.1W830 M831 E832 R841 M844 L884 V887W830-C834 WeakPolarHBondContact O-CB 3.49Å; W830-C834 PolarHBondContact O-N 2.99Å; W830-C834 PolarHBondContact O-SG 3.1Å; M831-C834 WeakPolarHBondContact O-CB 3.17Å; M831-C834 PolarHBondContact O-N 2.87Å; E832-C834 VanDerWaalsContact C-N 3.3Å; E832-C834 PolarHBondContact O-N 3.47Å; C834-R841 HydrophobicContact CB-CG 4.44Å; C834-M844 VanDerWaalsContact SG-CB 3.54Å; C834-L884 HydrophobicContact CB-CD2 3.76Å; C834-V887 HydrophobicContact CB-CG2 3.92Å
835S92.5Very high92.9Very high7 Ų724.5 Ų24.55%0.04915%0.145CC..Hα-helixtrans-77.4-27.1179.882.10000113.4M831 E832 C833 Q880 R883M831-S835 PolarHBondContact O-N 2.93Å; M831-S835 VanDerWaalsContact O-N 3.11Å; E832-S835 WeakPolarHBondContact O-CB 3.44Å; E832-S835 PolarHBondContact O-N 3.29Å; E832-S835 PolarHBondContact O-OG 2.94Å; C833-S835 PolarHBondContact O-N 3.41Å; S835-Q880 PolarHBondContact OG-NE2 3.29Å; S835-R883 PolarHBondContact O-NH1 3.3Å
836L90.7Very high93Very high13 Ų1327 Ų277%0.06816%0.164CC..Hα-helixtrans-73.4-48.4-166-67.7168.9000112.9T781 F784 H785 E832 C833 L840T781-L836 HydrophobicContact CG2-CD1 4.13Å; F784-L836 HydrophobicContact CB-CD1 4.06Å; F784-L836 HydrophobicContact CD2-CD1 4.35Å; F784-L836 HydrophobicContact CG-CD1 4.32Å; H785-L836 WeakPolarHBondContact NE2-CD2 3.33Å; E832-L836 WeakPolarHBondContact O-CG 3.4Å; C833-L836 PolarHBondContact O-N 3.45Å; L836-L840 HydrophobicContact CB-CD1 3.79Å; L836-L840 HydrophobicContact CD1-CD1 4.24Å
837S91.2Very high93Very high40 Ų4028.2 Ų28.228%0.2817%0.172SC..  trans-154.8156.9176.973.50000112.9S839 L840 R841S837-S839 PolarHBondContact O-N 2.89Å; S837-L840 PolarHBondContact O-N 3.32Å; S837-L840 WeakPolarHBondContact OG-CG 3.22Å; S837-L840 PolarHBondContact OG-N 2.98Å; S837-R841 WeakPolarHBondContact O-CB 3.23Å; S837-R841 PolarHBondContact O-N 2.98Å
838D91.9Very high93Very high73 Ų7327.7 Ų27.739%0.3917%0.169SC..Hα-helixtrans-62.3-28.8177.5-65.4-99.9000113.2R841 S842 R883D838-R841 IonicContact OD1-CZ 3.41Å; D838-R841 IonicContact OD1-NH1 3.21Å; D838-R841 PolarHBondContact OD1-NH1 2.62Å; D838-R841 IonicContact OD1-NH2 2.7Å; D838-R841 PolarHBondContact OD1-NH2 2.76Å; D838-S842 WeakPolarHBondContact O-CB 3.47Å; D838-S842 PolarHBondContact O-N 2.62Å; D838-S842 VanDerWaalsContact O-N 3.1Å; D838-S842 PolarHBondContact O-OG 2.89Å; D838-R883 IonicContact OD2-CZ 2.82Å; D838-R883 IonicContact OD2-NE 3.52Å; D838-R883 PolarHBondContact OD2-NE 2.89Å; D838-R883 IonicContact OD2-NH2 3.5Å
839S91.4Very high92.7Very high88 Ų8829 Ų2962%0.61518%0.18SC*.Hα-helixtrans-69.4-47.6173.1-169.40000111.6S837 S842 T843S837-S839 PolarHBondContact O-N 2.89Å; S839-S842 PolarHBondContact O-N 3.27Å; S839-T843 PolarHBondContact O-N 2.95Å; S839-T843 PolarHBondContact O-OG1 3.4Å
840L91.7Very high92.5Very high19 Ų1930.3 Ų30.310%0.09919%0.187CC..Hα-helixtrans-63.7-46.6177.1-69.7168.1000110.4F784 W813 C833 L836 S837 S842 T843 M844F784-L840 HydrophobicContact CB-CD1 4.07Å; F784-L840 HydrophobicContact CD1-CD1 3.69Å; F784-L840 HydrophobicContact CD1-CD2 3.75Å; F784-L840 HydrophobicContact CD1-CG 4.36Å; F784-L840 HydrophobicContact CE1-CD1 4.46Å; F784-L840 HydrophobicContact CE1-CD2 3.77Å; F784-L840 HydrophobicContact CG-CD1 4.03Å; W813-L840 HydrophobicContact CH2-CD2 3.79Å; C833-L840 WeakPolarHBondContact O-CB 3.41Å; L836-L840 HydrophobicContact CB-CD1 3.79Å; L836-L840 HydrophobicContact CD1-CD1 4.24Å; S837-L840 PolarHBondContact O-N 3.32Å; S837-L840 WeakPolarHBondContact OG-CG 3.22Å; S837-L840 PolarHBondContact OG-N 2.98Å; L840-S842 VanDerWaalsContact C-N 3.28Å; L840-S842 PolarHBondContact O-N 2.62Å; L840-T843 PolarHBondContact O-N 3.5Å; L840-T843 VanDerWaalsContact O-N 3.13Å; L840-M844 WeakPolarHBondContact O-CB 3.03Å; L840-M844 VanDerWaalsContact O-CG 3.27Å; L840-M844 WeakPolarHBondContact O-CG 3.19Å; L840-M844 PolarHBondContact O-N 2.74Å
841R94.6Very high92Very high49 Ų4933.3 Ų33.319%0.18520%0.203CC..Hα-helixtrans-50.1-47.8173.3-171.6-168.462.2-134-13.9112.3C834 S837 D838 M844 L845 R883 V887C834-R841 HydrophobicContact CB-CG 4.44Å; S837-R841 WeakPolarHBondContact O-CB 3.23Å; S837-R841 PolarHBondContact O-N 2.98Å; D838-R841 IonicContact OD1-CZ 3.41Å; D838-R841 IonicContact OD1-NH1 3.21Å; D838-R841 PolarHBondContact OD1-NH1 2.62Å; D838-R841 IonicContact OD1-NH2 2.7Å; D838-R841 PolarHBondContact OD1-NH2 2.76Å; R841-M844 PolarHBondContact O-N 3.39Å; R841-L845 HydrophobicContact CG-CD1 4.01Å; R841-L845 WeakPolarHBondContact O-CB 3.49Å; R841-L845 WeakPolarHBondContact O-CG 3.37Å; R841-L845 PolarHBondContact O-N 3.13Å; R841-R883 WeakPolarHBondContact CD-O 3.48Å; R841-V887 HydrophobicContact CG-CG2 3.37Å
842S94.5Very high91.5Very high64 Ų6440.1 Ų40.145%0.44823%0.229SC..Hα-helixtrans-66.6-40.6-178.5-55.10000111.8D838 S839 L840 L845 S846D838-S842 WeakPolarHBondContact O-CB 3.47Å; D838-S842 PolarHBondContact O-N 2.62Å; D838-S842 VanDerWaalsContact O-N 3.1Å; D838-S842 PolarHBondContact O-OG 2.89Å; S839-S842 PolarHBondContact O-N 3.27Å; L840-S842 VanDerWaalsContact C-N 3.28Å; L840-S842 PolarHBondContact O-N 2.62Å; S842-L845 PolarHBondContact O-N 2.93Å; S842-S846 WeakPolarHBondContact O-CB 3.39Å; S842-S846 PolarHBondContact O-N 2.82Å; S842-S846 PolarHBondContact O-OG 3.07Å
843T93.8Very high91Very high40 Ų4047.8 Ų47.825%0.24526%0.264CS..Hα-helixtrans-63.2-50.3175.2-50.70000111L808 W813 S839 L840 L845 S846 C847L808-T843 HydrophobicContact CD2-CG2 4.13Å; W813-T843 HydrophobicContact CZ2-CG2 4.14Å; S839-T843 PolarHBondContact O-N 2.95Å; S839-T843 PolarHBondContact O-OG1 3.4Å; L840-T843 PolarHBondContact O-N 3.5Å; L840-T843 VanDerWaalsContact O-N 3.13Å; T843-L845 VanDerWaalsContact C-N 3.32Å; T843-L845 PolarHBondContact O-N 2.76Å; T843-S846 PolarHBondContact O-N 3.26Å; T843-S846 VanDerWaalsContact O-N 3.12Å; T843-S846 PolarHBondContact O-OG 3.29Å; T843-C847 PolarHBondContact O-N 2.69Å; T843-C847 PolarHBondContact O-SG 3.13Å
844M95.2Very high90.7Very high0 Ų053.7 Ų53.70%029%0.287CS..Hα-helixtrans-60.5-35.9178.6-69.4-53.6122.300113.1L802 L808 W813 W830 C833 C834 L840 R841 L848L802-M844 HydrophobicContact CD1-SD 4.35Å; L802-M844 HydrophobicContact CD2-SD 4.24Å; L808-M844 HydrophobicContact CD1-CE 3.9Å; L808-M844 HydrophobicContact CD1-SD 4.49Å; L808-M844 HydrophobicContact CD2-CE 3.86Å; W813-M844 HydrophobicContact CH2-CE 3.48Å; W813-M844 VanDerWaalsContact CH2-CE 3.48Å; W813-M844 HydrophobicContact CZ2-CE 4.09Å; W813-M844 HydrophobicContact CZ3-CE 3.83Å; W830-M844 HydrophobicContact CZ2-CB 4.41Å; W830-M844 PolarHBondContact NE1-O 3.37Å; C833-M844 HydrophobicContact CB-CE 4.43Å; C833-M844 HydrophobicContact CB-CG 3.68Å; C833-M844 HydrophobicContact CB-SD 3.93Å; C834-M844 VanDerWaalsContact SG-CB 3.54Å; L840-M844 WeakPolarHBondContact O-CB 3.03Å; L840-M844 VanDerWaalsContact O-CG 3.27Å; L840-M844 WeakPolarHBondContact O-CG 3.19Å; L840-M844 PolarHBondContact O-N 2.74Å; R841-M844 PolarHBondContact O-N 3.39Å; M844-L848 WeakPolarHBondContact O-CB 3.46Å; M844-L848 PolarHBondContact O-N 3.05Å
845L93.8Very high90.2Very high23 Ų2358.4 Ų58.412%0.1232%0.317CS..Hα-helixtrans-70.9-38.9173.4-80.3164.9000112.8W830 R841 S842 T843 V887 E890 L891 R896W830-L845 HydrophobicContact CH2-CD2 4.22Å; W830-L845 HydrophobicContact CZ2-CD2 4.3Å; R841-L845 HydrophobicContact CG-CD1 4.01Å; R841-L845 WeakPolarHBondContact O-CB 3.49Å; R841-L845 WeakPolarHBondContact O-CG 3.37Å; R841-L845 PolarHBondContact O-N 3.13Å; S842-L845 PolarHBondContact O-N 2.93Å; T843-L845 VanDerWaalsContact C-N 3.32Å; T843-L845 PolarHBondContact O-N 2.76Å; L845-V887 HydrophobicContact CD1-CG2 4.38Å; L845-V887 HydrophobicContact CD2-CG1 4.24Å; L845-E890 HydrophobicContact CD1-CB 4.39Å; L845-E890 HydrophobicContact CD1-CG 4.12Å; L845-E890 HydrophobicContact CD2-CB 4.37Å; L845-E890 HydrophobicContact CD2-CG 4.1Å; L845-L891 HydrophobicContact CD2-CD2 4.02Å; L845-L891 HydrophobicContact CD2-CG 4.25Å; L845-R896 PolarHBondContact O-NH1 3.4Å
846S93Very high89.9Confident86 Ų8663.5 Ų63.560%0.60134%0.344SS*.Hα-helixtrans-70.1-38.8179.667.60000112.9S842 T843S842-S846 WeakPolarHBondContact O-CB 3.39Å; S842-S846 PolarHBondContact O-N 2.82Å; S842-S846 PolarHBondContact O-OG 3.07Å; T843-S846 PolarHBondContact O-N 3.26Å; T843-S846 VanDerWaalsContact O-N 3.12Å; T843-S846 PolarHBondContact O-OG 3.29Å
847C92.9Very high89.8Confident27 Ų2766.6 Ų66.618%0.18236%0.358CS..SBendtrans-92.42.7-175.1-58.70000114.2C806 D807 L808 T843 S849C806-C847 CarbonylContact C-O 3.57Å; C806-C847 VanDerWaalsContact CA-O 3.25Å; C806-C847 WeakPolarHBondContact CA-O 3.38Å; C806-C847 HydrophobicContact CB-CB 4.35Å; D807-C847 PolarHBondContact N-O 3.18Å; L808-C847 HydrophobicContact CD2-CB 3.86Å; T843-C847 PolarHBondContact O-N 2.69Å; T843-C847 PolarHBondContact O-SG 3.13Å; C847-S849 PolarHBondContact O-N 3.15Å
848L93.2Very high89.6Confident13 Ų1365.4 Ų65.47%0.06835%0.349CS..BIsolated β-bridgetrans-63.5115.5-177.5178.466.7000112.6W830 M844 L850 F861 L891W830-L848 HydrophobicContact CH2-CD2 4.39Å; W830-L848 HydrophobicContact CZ2-CB 4.37Å; W830-L848 HydrophobicContact CZ2-CD1 4.16Å; W830-L848 HydrophobicContact CZ2-CD2 3.98Å; W830-L848 HydrophobicContact CZ2-CG 4.4Å; M844-L848 WeakPolarHBondContact O-CB 3.46Å; M844-L848 PolarHBondContact O-N 3.05Å; L848-L850 VanDerWaalsContact C-N 3.34Å; L848-L850 HydrophobicContact CG-CB 4.35Å; L848-L850 PolarHBondContact O-N 3.43Å; L848-F861 HydrophobicContact CD1-CE2 3.92Å; L848-F861 HydrophobicContact CD1-CZ 4.47Å; L848-F861 HydrophobicContact CD2-CE2 4.06Å; L848-F861 HydrophobicContact CD2-CZ 3.82Å; L848-L891 HydrophobicContact CD2-CD2 3.79Å
849S87.3Confident89.4Confident53 Ų5364 Ų6437%0.37135%0.345SS..  trans-7969.1-173-49.60000112.8V805 C806 D807 C847V805-S849 PolarHBondContact O-N 3.16Å; V805-S849 PolarHBondContact O-OG 3.34Å; C806-S849 VanDerWaalsContact CA-OG 3.3Å; C806-S849 WeakPolarHBondContact CA-OG 3.22Å; C806-S849 PolarHBondContact N-OG 3.13Å; D807-S849 PolarHBondContact N-OG 3.26Å; D807-S849 VanDerWaalsContact N-OG 3.11Å; D807-S849 VanDerWaalsContact OD2-CB 3.32Å; D807-S849 WeakPolarHBondContact OD2-CB 3.42Å; D807-S849 PolarHBondContact OD2-OG 3.47Å; C847-S849 PolarHBondContact O-N 3.15Å
850L88.3Confident89.3Confident29 Ų2965.8 Ų65.815%0.15235%0.345CS..  trans-124.5112.8-176.9-173.964.3000113.8L848 R852 H857 V858 F861 R896L848-L850 VanDerWaalsContact C-N 3.34Å; L848-L850 HydrophobicContact CG-CB 4.35Å; L848-L850 PolarHBondContact O-N 3.43Å; L850-R852 PolarHBondContact O-N 3.46Å; L850-R852 VanDerWaalsContact O-N 3.13Å; L850-H857 HydrophobicContact CD1-CB 4.37Å; L850-V858 HydrophobicContact CD2-CG2 4.44Å; L850-V858 HydrophobicContact CG-CG2 4.49Å; L850-F861 HydrophobicContact CD1-CB 3.83Å; L850-F861 HydrophobicContact CD1-CG 4.12Å; L850-F861 HydrophobicContact CD2-CB 4.38Å; L850-F861 HydrophobicContact CD2-CD1 3.71Å; L850-F861 HydrophobicContact CD2-CD2 4.44Å; L850-F861 HydrophobicContact CD2-CE1 4.09Å; L850-F861 HydrophobicContact CD2-CG 3.92Å; L850-R896 HydrophobicContact CD2-CB 4.03Å; L850-R896 HydrophobicContact CD2-CG 4.48Å; L850-R896 VanDerWaalsContact CD2-O 3.26Å; L850-R896 WeakPolarHBondContact CD2-O 3.43Å
851D83.8Confident89.3Confident62 Ų6265.7 Ų65.733%0.33234%0.344SS..  trans-71.1102.3172.1-178.21.7000111.7H853 R854D851-H853 PolarHBondContact O-N 2.61Å; D851-H853 WeakPolarHBondContact OD1-CB 3.45Å; D851-H853 IonicContact OD1-CD2 2.7Å; D851-H853 IonicContact OD1-CG 3.69Å; D851-H853 PolarHBondContact OD1-N 3.08Å; D851-R854 PolarHBondContact O-N 2.93Å; D851-R854 WeakPolarHBondContact OD2-CD 3.45Å; D851-R854 WeakPolarHBondContact OD2-CG 3.48Å
852R83.5Confident89.2Confident143 Ų14364 Ų6454%0.5434%0.339SS..THydrogen-bonded Turntrans-69.1-14.1178.5-64.9170.174.3-137.96.6113.7L850 R854 S894 R896L850-R852 PolarHBondContact O-N 3.46Å; L850-R852 VanDerWaalsContact O-N 3.13Å; R852-R854 VanDerWaalsContact C-N 3.34Å; R852-S894 PolarHBondContact NE-O 3.39Å; R852-S894 PolarHBondContact NH2-O 3.5Å; R852-R896 HydrophobicContact CG-CG 4.21Å
853H81.5Confident88.9Confident174 Ų17466.7 Ų66.781%0.80634%0.343SS*.THydrogen-bonded Turntrans-84.6-10.2178.9-57.6-77.3000112.8D851D851-H853 PolarHBondContact O-N 2.61Å; D851-H853 WeakPolarHBondContact OD1-CB 3.45Å; D851-H853 IonicContact OD1-CD2 2.7Å; D851-H853 IonicContact OD1-CG 3.69Å; D851-H853 PolarHBondContact OD1-N 3.08Å
854R86.4Confident88.8Confident125 Ų12566 Ų6647%0.47234%0.344SS..  trans-111.1101.6-179.2-68.7-178.870.3-179.1-4.8110.9D851 R852 D856 H857 V858D851-R854 PolarHBondContact O-N 2.93Å; D851-R854 WeakPolarHBondContact OD2-CD 3.45Å; D851-R854 WeakPolarHBondContact OD2-CG 3.48Å; R852-R854 VanDerWaalsContact C-N 3.34Å; R854-D856 PolarHBondContact O-N 3.22Å; R854-H857 HydrophobicContact CB-CB 4.09Å; R854-H857 VanDerWaalsContact CZ-CE1 3.47Å; R854-H857 PolarHBondContact NE-NE2 3.35Å; R854-H857 PolarHBondContact NH1-CE1 3.25Å; R854-H857 PolarHBondContact NH1-NE2 2.92Å; R854-H857 PolarHBondContact NH2-NE2 2.82Å; R854-H857 VanDerWaalsContact NH2-NE2 3.13Å; R854-H857 WeakPolarHBondContact O-CB 3.41Å; R854-H857 PolarHBondContact O-N 3.19Å; R854-V858 PolarHBondContact O-N 2.84Å
855P83.8Confident88.8Confident99 Ų9966 Ų6664%0.64334%0.344SS*.Hα-helixtrans-62-30.7-175.124.9-34.1000112.8H857 V858 S859P855-H857 VanDerWaalsContact C-N 3.33Å; P855-H857 PolarHBondContact O-N 3.32Å; P855-V858 PolarHBondContact O-N 2.95Å; P855-S859 WeakPolarHBondContact O-CB 3.33Å; P855-S859 PolarHBondContact O-N 3.47Å
856D86.4Confident88.7Confident114 Ų11466.8 Ų66.861%0.6135%0.348SS*.Hα-helixtrans-63.9-37.5175.6-53.7-49.2000112.3R854 S859 M860R854-D856 PolarHBondContact O-N 3.22Å; D856-S859 PolarHBondContact O-N 3.31Å; D856-M860 WeakPolarHBondContact O-CB 3.27Å; D856-M860 WeakPolarHBondContact O-CG 3.48Å; D856-M860 PolarHBondContact O-N 2.58Å
857H87.4Confident88.6Confident77 Ų7766.1 Ų66.136%0.35634%0.341SS..Hα-helixtrans-67.7-46.6177.4-75-152.3000110.2L850 R854 P855 S859 M860 F861L850-H857 HydrophobicContact CD1-CB 4.37Å; R854-H857 HydrophobicContact CB-CB 4.09Å; R854-H857 VanDerWaalsContact CZ-CE1 3.47Å; R854-H857 PolarHBondContact NE-NE2 3.35Å; R854-H857 PolarHBondContact NH1-CE1 3.25Å; R854-H857 PolarHBondContact NH1-NE2 2.92Å; R854-H857 PolarHBondContact NH2-NE2 2.82Å; R854-H857 VanDerWaalsContact NH2-NE2 3.13Å; R854-H857 WeakPolarHBondContact O-CB 3.41Å; R854-H857 PolarHBondContact O-N 3.19Å; P855-H857 VanDerWaalsContact C-N 3.33Å; P855-H857 PolarHBondContact O-N 3.32Å; H857-S859 VanDerWaalsContact C-N 3.3Å; H857-S859 PolarHBondContact O-N 3.27Å; H857-M860 PolarHBondContact O-N 3.32Å; H857-F861 VanDerWaalsContact O-CB 3.29Å; H857-F861 WeakPolarHBondContact O-CB 3.46Å; H857-F861 PolarHBondContact O-N 3.17Å
858V87.8Confident88.6Confident15 Ų1565 Ų659%0.09133%0.334CS..Hα-helixtrans-60.8-39.1174.5-179.10000111L850 R854 P855 S862L850-V858 HydrophobicContact CD2-CG2 4.44Å; L850-V858 HydrophobicContact CG-CG2 4.49Å; R854-V858 PolarHBondContact O-N 2.84Å; P855-V858 PolarHBondContact O-N 2.95Å; V858-S862 WeakPolarHBondContact O-CB 3.4Å; V858-S862 PolarHBondContact O-N 3.11Å; V858-S862 PolarHBondContact O-OG 3.21Å
859S87.6Confident88.6Confident43 Ų4364.5 Ų64.530%0.30133%0.331SS..Hα-helixtrans-65.5-45.1176.5-170.20000112.6P855 D856 H857 S862 K863P855-S859 WeakPolarHBondContact O-CB 3.33Å; P855-S859 PolarHBondContact O-N 3.47Å; D856-S859 PolarHBondContact O-N 3.31Å; H857-S859 VanDerWaalsContact C-N 3.3Å; H857-S859 PolarHBondContact O-N 3.27Å; S859-S862 PolarHBondContact O-N 3.41Å; S859-K863 WeakPolarHBondContact O-CG 3.46Å; S859-K863 PolarHBondContact O-N 2.77Å; S859-K863 VanDerWaalsContact O-N 3.1Å
860M88Confident88.7Confident126 Ų12662.3 Ų62.362%0.62132%0.315SS*.Hα-helixtrans-69.2-40.7178.1-70.6-61.4-69.100112D856 H857 S862 K863 G864D856-M860 WeakPolarHBondContact O-CB 3.27Å; D856-M860 WeakPolarHBondContact O-CG 3.48Å; D856-M860 PolarHBondContact O-N 2.58Å; H857-M860 PolarHBondContact O-N 3.32Å; M860-S862 VanDerWaalsContact C-N 3.33Å; M860-S862 PolarHBondContact O-N 3.24Å; M860-K863 PolarHBondContact O-N 3.43Å; M860-K863 HydrophobicContact SD-CD 4.21Å; M860-G864 PolarHBondContact O-N 3.05Å
861F92.3Very high88.7Confident18 Ų1864.3 Ų64.38%0.07932%0.324CS..Hα-helixtrans-56.6-46.3169.7171.7-98.4000111.4L827 L848 L850 H857 K863 G864 L865 L891 R896 L897L827-F861 HydrophobicContact CD1-CD2 4.12Å; L827-F861 HydrophobicContact CD1-CE2 4.45Å; L827-F861 HydrophobicContact CD2-CD2 3.9Å; L827-F861 HydrophobicContact CD2-CE2 3.63Å; L848-F861 HydrophobicContact CD1-CE2 3.92Å; L848-F861 HydrophobicContact CD1-CZ 4.47Å; L848-F861 HydrophobicContact CD2-CE2 4.06Å; L848-F861 HydrophobicContact CD2-CZ 3.82Å; L850-F861 HydrophobicContact CD1-CB 3.83Å; L850-F861 HydrophobicContact CD1-CG 4.12Å; L850-F861 HydrophobicContact CD2-CB 4.38Å; L850-F861 HydrophobicContact CD2-CD1 3.71Å; L850-F861 HydrophobicContact CD2-CD2 4.44Å; L850-F861 HydrophobicContact CD2-CE1 4.09Å; L850-F861 HydrophobicContact CD2-CG 3.92Å; H857-F861 VanDerWaalsContact O-CB 3.29Å; H857-F861 WeakPolarHBondContact O-CB 3.46Å; H857-F861 PolarHBondContact O-N 3.17Å; F861-K863 VanDerWaalsContact C-N 3.29Å; F861-K863 PolarHBondContact O-N 3.31Å; F861-G864 PolarHBondContact O-N 3.31Å; F861-L865 HydrophobicContact CE1-CD2 4.13Å; F861-L865 HydrophobicContact CZ-CD1 4.44Å; F861-L865 HydrophobicContact CZ-CD2 4.21Å; F861-L865 VanDerWaalsContact O-CB 3.31Å; F861-L865 WeakPolarHBondContact O-CB 3.14Å; F861-L865 PolarHBondContact O-N 3.13Å; F861-L891 HydrophobicContact CE1-CD1 4.22Å; F861-L891 HydrophobicContact CZ-CD1 4.07Å; F861-L891 HydrophobicContact CZ-CD2 4.5Å; F861-R896 WeakPolarHBondContact CD1-O 3.39Å; F861-R896 WeakPolarHBondContact CE1-O 3.36Å; F861-L897 HydrophobicContact CE1-CD1 4.49Å
862S91.9Very high88.9Confident13 Ų1361.7 Ų61.79%0.09131%0.31CS..Hα-helixtrans-60.8-37.1179.2-560000112.5V858 S859 M860 L866 S898V858-S862 WeakPolarHBondContact O-CB 3.4Å; V858-S862 PolarHBondContact O-N 3.11Å; V858-S862 PolarHBondContact O-OG 3.21Å; S859-S862 PolarHBondContact O-N 3.41Å; M860-S862 VanDerWaalsContact C-N 3.33Å; M860-S862 PolarHBondContact O-N 3.24Å; S862-L866 WeakPolarHBondContact O-CB 3.5Å; S862-L866 PolarHBondContact O-N 3.3Å; S862-L866 VanDerWaalsContact O-N 3.15Å; S862-S898 PolarHBondContact OG-N 3.01Å
863K90.1Very high89.1Confident120 Ų12055.1 Ų55.152%0.52229%0.286SS..Hα-helixtrans-72.5-41.6175.5-68.6166.1-173.7168.70112.4S859 M860 F861 L866 V867S859-K863 WeakPolarHBondContact O-CG 3.46Å; S859-K863 PolarHBondContact O-N 2.77Å; S859-K863 VanDerWaalsContact O-N 3.1Å; M860-K863 PolarHBondContact O-N 3.43Å; M860-K863 HydrophobicContact SD-CD 4.21Å; F861-K863 VanDerWaalsContact C-N 3.29Å; F861-K863 PolarHBondContact O-N 3.31Å; K863-L866 WeakPolarHBondContact O-CB 3.47Å; K863-L866 PolarHBondContact O-N 3.04Å; K863-V867 PolarHBondContact O-N 2.86Å
864G91.4Very high89.3Confident27 Ų2747 Ų4728%0.27825%0.248SC..Hα-helixtrans-65.1-42.4175.900000112.2M860 F861 L866 V867 A868M860-G864 PolarHBondContact O-N 3.05Å; F861-G864 PolarHBondContact O-N 3.31Å; G864-L866 VanDerWaalsContact C-N 3.33Å; G864-L866 PolarHBondContact O-N 3.24Å; G864-V867 PolarHBondContact O-N 2.74Å; G864-A868 PolarHBondContact O-N 3.18Å
865L93.6Very high89.2Confident0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-63.1-38.2176-16972.2000111.8W830 M831 F861 V867 A868 L869 L888 L891 L897W830-L865 HydrophobicContact CE3-CD1 4.33Å; W830-L865 HydrophobicContact CZ3-CD1 4.1Å; M831-L865 HydrophobicContact CG-CD1 3.95Å; M831-L865 HydrophobicContact SD-CD1 3.67Å; F861-L865 HydrophobicContact CE1-CD2 4.13Å; F861-L865 HydrophobicContact CZ-CD1 4.44Å; F861-L865 HydrophobicContact CZ-CD2 4.21Å; F861-L865 VanDerWaalsContact O-CB 3.31Å; F861-L865 WeakPolarHBondContact O-CB 3.14Å; F861-L865 PolarHBondContact O-N 3.13Å; L865-V867 VanDerWaalsContact C-N 3.32Å; L865-V867 PolarHBondContact O-N 3.26Å; L865-A868 PolarHBondContact O-N 3.03Å; L865-L869 HydrophobicContact CG-CD1 4.13Å; L865-L869 HydrophobicContact CG-CG 4.45Å; L865-L869 WeakPolarHBondContact O-CB 3.46Å; L865-L869 WeakPolarHBondContact O-CD1 3.45Å; L865-L869 WeakPolarHBondContact O-CG 3.34Å; L865-L869 PolarHBondContact O-N 3.43Å; L865-L888 HydrophobicContact CD2-CD2 3.93Å; L865-L891 HydrophobicContact CD2-CD1 3.77Å; L865-L897 HydrophobicContact CD2-CD1 3.71Å; L865-L897 HydrophobicContact CD2-CD2 3.67Å; L865-L897 HydrophobicContact CD2-CG 4.28Å
866L92.3Very high89.3Confident38 Ų3838.8 Ų38.820%0.19921%0.205CC..Hα-helixtrans-58.4-42.1174.1178.465.6000112S862 K863 G864 T870 L926 R929 V930 L933S862-L866 WeakPolarHBondContact O-CB 3.5Å; S862-L866 PolarHBondContact O-N 3.3Å; S862-L866 VanDerWaalsContact O-N 3.15Å; K863-L866 WeakPolarHBondContact O-CB 3.47Å; K863-L866 PolarHBondContact O-N 3.04Å; G864-L866 VanDerWaalsContact C-N 3.33Å; G864-L866 PolarHBondContact O-N 3.24Å; L866-T870 PolarHBondContact O-N 3.4Å; L866-T870 PolarHBondContact O-OG1 3.47Å; L866-L926 HydrophobicContact CD1-CD1 4.03Å; L866-R929 HydrophobicContact CD1-CB 3.88Å; L866-R929 HydrophobicContact CD2-CB 4.44Å; L866-V930 HydrophobicContact CD1-CB 4.48Å; L866-V930 HydrophobicContact CD1-CG2 3.67Å; L866-L933 HydrophobicContact CD1-CD1 4.19Å; L866-L933 HydrophobicContact CD2-CD1 3.82Å; L866-L933 HydrophobicContact CG-CD1 3.7Å
867V91Very high89.4Confident73 Ų7333.5 Ų33.544%0.44218%0.177SC..Hα-helixtrans-69.5-43.9176.5176.60000111.5K863 G864 L865 L869 T870 Q871K863-V867 PolarHBondContact O-N 2.86Å; G864-V867 PolarHBondContact O-N 2.74Å; L865-V867 VanDerWaalsContact C-N 3.32Å; L865-V867 PolarHBondContact O-N 3.26Å; V867-L869 VanDerWaalsContact C-N 3.31Å; V867-L869 PolarHBondContact O-N 2.68Å; V867-T870 PolarHBondContact O-N 3.49Å; V867-Q871 WeakPolarHBondContact O-CG 3.26Å; V867-Q871 PolarHBondContact O-N 3.26Å
868A92.8Very high89.5Confident4 Ų432.1 Ų32.13%0.03317%0.174CC..Hα-helixtrans-60.5-40175.900000112L827 M831 G864 L865 Q871 S872L827-A868 HydrophobicContact CB-CB 4.22Å; M831-A868 HydrophobicContact CG-CB 4.07Å; G864-A868 PolarHBondContact O-N 3.18Å; L865-A868 PolarHBondContact O-N 3.03Å; A868-Q871 PolarHBondContact O-N 3.2Å; A868-S872 WeakPolarHBondContact O-CB 3.25Å; A868-S872 PolarHBondContact O-N 3.37Å; A868-S872 PolarHBondContact O-OG 2.86Å
869L92.8Very high89.6Confident1 Ų133.1 Ų33.11%0.00518%0.182CC..Hα-helixtrans-60.8-46.7174.5-78.6162.7000112.4M831 L865 V867 Q871 S872 L873 L888 L926 V930M831-L869 HydrophobicContact CE-CD2 3.37Å; M831-L869 HydrophobicContact CE-CG 4.04Å; L865-L869 HydrophobicContact CG-CD1 4.13Å; L865-L869 HydrophobicContact CG-CG 4.45Å; L865-L869 WeakPolarHBondContact O-CB 3.46Å; L865-L869 WeakPolarHBondContact O-CD1 3.45Å; L865-L869 WeakPolarHBondContact O-CG 3.34Å; L865-L869 PolarHBondContact O-N 3.43Å; V867-L869 VanDerWaalsContact C-N 3.31Å; V867-L869 PolarHBondContact O-N 2.68Å; L869-Q871 PolarHBondContact O-N 3.43Å; L869-S872 PolarHBondContact O-N 2.9Å; L869-L873 HydrophobicContact CB-CD1 4.04Å; L869-L873 HydrophobicContact CD2-CD1 3.65Å; L869-L873 HydrophobicContact CD2-CD2 4.44Å; L869-L873 HydrophobicContact CD2-CG 4.04Å; L869-L873 HydrophobicContact CG-CD1 4.48Å; L869-L873 VanDerWaalsContact O-CB 3.22Å; L869-L873 WeakPolarHBondContact O-CB 3.46Å; L869-L873 VanDerWaalsContact O-CG 3.3Å; L869-L873 WeakPolarHBondContact O-CG 3.49Å; L869-L873 PolarHBondContact O-N 3.39Å; L869-L888 HydrophobicContact CD1-CD1 4.28Å; L869-L888 HydrophobicContact CD1-CD2 3.95Å; L869-L888 HydrophobicContact CD2-CD1 3.83Å; L869-L888 HydrophobicContact CD2-CD2 4.14Å; L869-L888 HydrophobicContact CD2-CG 4.41Å; L869-L926 HydrophobicContact CD1-CD1 4.23Å; L869-L926 HydrophobicContact CD1-CD2 4.15Å; L869-L926 HydrophobicContact CD1-CG 4.29Å; L869-V930 HydrophobicContact CB-CG1 4.47Å; L869-V930 HydrophobicContact CB-CG2 3.66Å; L869-V930 HydrophobicContact CD1-CG2 4.08Å; L869-V930 HydrophobicContact CG-CG2 4.45Å
870T89.9Confident89.8Confident7 Ų731.5 Ų31.54%0.04317%0.17CC..Hα-helixtrans-60.9-28.2176.1-65.90000112.2L866 V867 P874 V930 L933 L934 W942L866-T870 PolarHBondContact O-N 3.4Å; L866-T870 PolarHBondContact O-OG1 3.47Å; V867-T870 PolarHBondContact O-N 3.49Å; T870-P874 WeakPolarHBondContact O-CD 3.34Å; T870-P874 WeakPolarHBondContact O-CG 3.29Å; T870-V930 PolarHBondContact OG1-O 2.87Å; T870-L933 HydrophobicContact CG2-CB 4.18Å; T870-L934 HydrophobicContact CG2-CB 4.17Å; T870-L934 HydrophobicContact CG2-CD1 4Å; T870-W942 HydrophobicContact CG2-CZ3 4.33Å
871Q87.7Confident90Very high71 Ų7125.7 Ų25.733%0.33214%0.141SC..Hα-helixtrans-84.3-42.5176.6-691739.600113.3L828 V867 A868 L869 W875 W942L828-Q871 HydrophobicContact CD1-CB 3.8Å; V867-Q871 WeakPolarHBondContact O-CG 3.26Å; V867-Q871 PolarHBondContact O-N 3.26Å; A868-Q871 PolarHBondContact O-N 3.2Å; L869-Q871 PolarHBondContact O-N 3.43Å; Q871-W875 PolarHBondContact O-NE1 3Å; Q871-W942 HydrophobicContact CG-CH2 4Å; Q871-W942 HydrophobicContact CG-CZ3 4.09Å
872S89.1Confident90Very high8 Ų828.9 Ų28.96%0.05616%0.156CC..Hα-helixtrans-84.4-36.9-172.275.70000114.2A868 L869 W875 C876A868-S872 WeakPolarHBondContact O-CB 3.25Å; A868-S872 PolarHBondContact O-N 3.37Å; A868-S872 PolarHBondContact O-OG 2.86Å; L869-S872 PolarHBondContact O-N 2.9Å; S872-W875 PolarHBondContact O-N 2.86Å; S872-C876 PolarHBondContact O-SG 2.91Å
873L88.3Confident90.2Very high4 Ų430.7 Ų30.72%0.02116%0.161CC..G310 helixtrans-63.4-35.7-173.2-73.4173.7000114.9L869 W875 C876 W881 L884 L927 V930L869-L873 HydrophobicContact CB-CD1 4.04Å; L869-L873 HydrophobicContact CD2-CD1 3.65Å; L869-L873 HydrophobicContact CD2-CD2 4.44Å; L869-L873 HydrophobicContact CD2-CG 4.04Å; L869-L873 HydrophobicContact CG-CD1 4.48Å; L869-L873 VanDerWaalsContact O-CB 3.22Å; L869-L873 WeakPolarHBondContact O-CB 3.46Å; L869-L873 VanDerWaalsContact O-CG 3.3Å; L869-L873 WeakPolarHBondContact O-CG 3.49Å; L869-L873 PolarHBondContact O-N 3.39Å; L873-W875 PolarHBondContact O-N 3.32Å; L873-C876 PolarHBondContact O-N 3.46Å; L873-W881 HydrophobicContact CB-CE3 3.97Å; L873-W881 HydrophobicContact CB-CH2 4.27Å; L873-W881 HydrophobicContact CB-CZ3 3.58Å; L873-W881 HydrophobicContact CD1-CH2 4.34Å; L873-W881 HydrophobicContact CD1-CZ3 4.38Å; L873-W881 HydrophobicContact CD2-CD2 3.86Å; L873-W881 HydrophobicContact CD2-CE3 3.54Å; L873-W881 HydrophobicContact CD2-CH2 4.4Å; L873-W881 HydrophobicContact CD2-CZ3 3.89Å; L873-W881 HydrophobicContact CG-CE3 4.27Å; L873-W881 HydrophobicContact CG-CZ3 4.15Å; L873-L884 HydrophobicContact CD2-CB 4.42Å; L873-L884 HydrophobicContact CD2-CD1 3.87Å; L873-L927 HydrophobicContact CD1-CD2 4.37Å; L873-V930 HydrophobicContact CD1-CG1 3.92Å
874P85.2Confident90.4Very high3 Ų325 Ų252%0.01914%0.136CC..G310 helixtrans-58.7-23.8175.8-29.237.8000116.3W723 T870 L934 L943 I951W723-P874 PolarHBondContact NE1-O 3.4Å; T870-P874 WeakPolarHBondContact O-CD 3.34Å; T870-P874 WeakPolarHBondContact O-CG 3.29Å; P874-L934 HydrophobicContact CG-CD1 3.88Å; P874-L934 HydrophobicContact CG-CD2 4.09Å; P874-L943 HydrophobicContact CB-CD1 4.25Å; P874-L943 HydrophobicContact CB-CD2 4.11Å; P874-I951 HydrophobicContact CB-CD1 3.79Å; P874-I951 HydrophobicContact CG-CD1 3.97Å
875W83.3Confident90.5Very high48 Ų4824 Ų2418%0.18213%0.125CC..G310 helixtrans-103.3-2.4-175.5-48.295.3000113.1W723 E724 M736 K739 Q871 S872 L873W723-W875 HydrophobicContact CB-CH2 3.77Å; W723-W875 HydrophobicContact CB-CZ3 3.7Å; W723-W875 AromaticContact CD1-CD2 3.99Å; W723-W875 AromaticContact CD1-CE3 3.44Å; W723-W875 VanDerWaalsContact CD1-CE3 3.44Å; W723-W875 AromaticContact CD1-CH2 3.84Å; W723-W875 AromaticContact CD1-CZ3 3.38Å; W723-W875 HydrophobicContact CG-CE3 4.24Å; W723-W875 HydrophobicContact CG-CH2 4.2Å; W723-W875 AromaticContact CG-CZ3 3.79Å; W723-W875 HydrophobicContact CG-CZ3 3.79Å; E724-W875 HydrophobicContact CG-CH2 4.43Å; M736-W875 WeakPolarHBondContact CE-O 3.47Å; K739-W875 PolarHBondContact NZ-O 3.44Å; Q871-W875 PolarHBondContact O-NE1 3Å; S872-W875 PolarHBondContact O-N 2.86Å; L873-W875 PolarHBondContact O-N 3.32Å
876C87.6Confident90.5Very high4 Ų425.4 Ų25.43%0.02714%0.139CC..  trans-72.9139.6178.8-70.50000111.5S872 L873 Q880 W881 L884 H950 L954S872-C876 PolarHBondContact O-SG 2.91Å; L873-C876 PolarHBondContact O-N 3.46Å; C876-Q880 HydrophobicContact CB-CB 3.88Å; C876-W881 HydrophobicContact CB-CB 4.09Å; C876-W881 HydrophobicContact CB-CE3 4.4Å; C876-L884 VanDerWaalsContact SG-CD1 3.59Å; C876-H950 PolarHBondContact O-NE2 3.39Å; C876-L954 WeakPolarHBondContact O-CD1 3.49Å
877S88.6Confident90.7Very high4 Ų423.6 Ų23.63%0.02813%0.129CC..  trans-75178.8156.875.20000111.4E740 Q880 W881E740-S877 WeakPolarHBondContact CG-OG 3.27Å; E740-S877 WeakPolarHBondContact OE1-CB 3.37Å; E740-S877 PolarHBondContact OE1-OG 2.97Å; S877-Q880 VanDerWaalsContact N-OE1 3.17Å; S877-Q880 PolarHBondContact O-N 3.32Å; S877-Q880 WeakPolarHBondContact OG-CG 3.38Å; S877-Q880 PolarHBondContact OG-N 3.33Å; S877-W881 WeakPolarHBondContact O-CB 3.33Å; S877-W881 PolarHBondContact O-N 3.38Å
878V89Confident90.9Very high48 Ų4820.2 Ų20.229%0.29111%0.108SC..Hα-helixtrans-60.5-50.8-179.4-1740000111.1E740 Q880 W881 E882 L954E740-V878 PolarHBondContact OE1-N 3.42Å; V878-Q880 PolarHBondContact O-N 2.97Å; V878-W881 WeakPolarHBondContact O-CB 3.31Å; V878-W881 PolarHBondContact O-N 3.35Å; V878-E882 WeakPolarHBondContact O-CG 3.41Å; V878-E882 PolarHBondContact O-N 3.26Å; V878-L954 HydrophobicContact CB-CD2 4.29Å; V878-L954 HydrophobicContact CG2-CD2 3.81Å
879S90.2Very high90.9Very high36 Ų3622.8 Ų22.825%0.25212%0.117SC..Hα-helixtrans-67.5-32.3179.864.70000113.3E740 R883E740-S879 VanDerWaalsContact OE1-CB 3.27Å; E740-S879 WeakPolarHBondContact OE1-CB 3.41Å; E740-S879 PolarHBondContact OE1-N 3.48Å; E740-S879 PolarHBondContact OE1-OG 3.11Å; S879-R883 WeakPolarHBondContact O-CG 3.48Å; S879-R883 PolarHBondContact O-N 3.22Å; S879-R883 VanDerWaalsContact O-N 3.13Å
880Q91.2Very high91Very high9 Ų927.8 Ų27.84%0.04214%0.141CC..Hα-helixtrans-64.6-45.8171.5-70.7-173-74.100110.8S835 C876 S877 V878 R883 L884S835-Q880 PolarHBondContact OG-NE2 3.29Å; C876-Q880 HydrophobicContact CB-CB 3.88Å; S877-Q880 VanDerWaalsContact N-OE1 3.17Å; S877-Q880 PolarHBondContact O-N 3.32Å; S877-Q880 WeakPolarHBondContact OG-CG 3.38Å; S877-Q880 PolarHBondContact OG-N 3.33Å; V878-Q880 PolarHBondContact O-N 2.97Å; Q880-R883 PolarHBondContact O-N 2.99Å; Q880-L884 WeakPolarHBondContact O-CG 3.2Å; Q880-L884 PolarHBondContact O-N 2.89Å; Q880-L884 VanDerWaalsContact O-N 3.16Å
881W92.1Very high91.2Very high3 Ų327.5 Ų27.51%0.01114%0.139CC..Hα-helixtrans-62.6-43.5178-176.5-75.2000111.7L873 C876 S877 V878 R883 L884 L885 L927 L954L873-W881 HydrophobicContact CB-CE3 3.97Å; L873-W881 HydrophobicContact CB-CH2 4.27Å; L873-W881 HydrophobicContact CB-CZ3 3.58Å; L873-W881 HydrophobicContact CD1-CH2 4.34Å; L873-W881 HydrophobicContact CD1-CZ3 4.38Å; L873-W881 HydrophobicContact CD2-CD2 3.86Å; L873-W881 HydrophobicContact CD2-CE3 3.54Å; L873-W881 HydrophobicContact CD2-CH2 4.4Å; L873-W881 HydrophobicContact CD2-CZ3 3.89Å; L873-W881 HydrophobicContact CG-CE3 4.27Å; L873-W881 HydrophobicContact CG-CZ3 4.15Å; C876-W881 HydrophobicContact CB-CB 4.09Å; C876-W881 HydrophobicContact CB-CE3 4.4Å; S877-W881 WeakPolarHBondContact O-CB 3.33Å; S877-W881 PolarHBondContact O-N 3.38Å; V878-W881 WeakPolarHBondContact O-CB 3.31Å; V878-W881 PolarHBondContact O-N 3.35Å; W881-R883 PolarHBondContact O-N 3.34Å; W881-L884 PolarHBondContact O-N 3.19Å; W881-L884 VanDerWaalsContact O-N 3.15Å; W881-L885 WeakPolarHBondContact O-CG 3.45Å; W881-L885 PolarHBondContact O-N 2.77Å; W881-L927 HydrophobicContact CZ2-CD2 4.31Å; W881-L954 HydrophobicContact CB-CD1 4.17Å; W881-L954 HydrophobicContact CB-CD2 4.45Å; W881-L954 HydrophobicContact CD2-CB 3.71Å; W881-L954 HydrophobicContact CD2-CD1 3.8Å; W881-L954 HydrophobicContact CD2-CG 4.3Å; W881-L954 HydrophobicContact CE3-CB 3.72Å; W881-L954 HydrophobicContact CE3-CD1 3.28Å; W881-L954 HydrophobicContact CE3-CG 4.13Å; W881-L954 HydrophobicContact CG-CB 4.25Å; W881-L954 HydrophobicContact CG-CD1 4.19Å; W881-L954 HydrophobicContact CH2-CB 4.06Å; W881-L954 HydrophobicContact CZ2-CB 4.07Å; W881-L954 HydrophobicContact CZ3-CB 3.85Å; W881-L954 HydrophobicContact CZ3-CD1 3.83Å
882E92.8Very high91.3Very high85 Ų8524.4 Ų24.440%0.39713%0.125SC..Hα-helixtrans-59.1-43.9175.1-74.5174.7171.600112.7V878 L884 L885 G886 H957V878-E882 WeakPolarHBondContact O-CG 3.41Å; V878-E882 PolarHBondContact O-N 3.26Å; E882-L884 VanDerWaalsContact C-N 3.29Å; E882-L884 PolarHBondContact O-N 2.93Å; E882-L885 PolarHBondContact O-N 3.46Å; E882-G886 PolarHBondContact O-N 3.2Å; E882-H957 IonicContact OE1-CD2 2.76Å; E882-H957 IonicContact OE1-CE1 3.55Å; E882-H957 IonicContact OE1-NE2 3.62Å; E882-H957 PolarHBondContact OE1-NE2 2.83Å
883R94.6Very high91.4Very high51 Ų5129 Ų2919%0.19215%0.153CC..Hα-helixtrans-59.5-40.6174.5-71.4-174.1-161.892.818.2111.8S835 D838 R841 S879 Q880 W881 G886 V887S835-R883 PolarHBondContact O-NH1 3.3Å; D838-R883 IonicContact OD2-CZ 2.82Å; D838-R883 IonicContact OD2-NE 3.52Å; D838-R883 PolarHBondContact OD2-NE 2.89Å; D838-R883 IonicContact OD2-NH2 3.5Å; R841-R883 WeakPolarHBondContact CD-O 3.48Å; S879-R883 WeakPolarHBondContact O-CG 3.48Å; S879-R883 PolarHBondContact O-N 3.22Å; S879-R883 VanDerWaalsContact O-N 3.13Å; Q880-R883 PolarHBondContact O-N 2.99Å; W881-R883 PolarHBondContact O-N 3.34Å; R883-G886 PolarHBondContact O-N 3.32Å; R883-V887 PolarHBondContact O-N 2.85Å
884L94.9Very high91.4Very high1 Ų130.1 Ų30.11%0.00516%0.161CC..Hα-helixtrans-70.2-39.6177.4-64.2-177000112.6M831 C834 L873 C876 Q880 W881 E882 G886 V887 L888M831-L884 HydrophobicContact CE-CB 4.31Å; M831-L884 HydrophobicContact CE-CD1 3.75Å; M831-L884 HydrophobicContact CE-CD2 3.66Å; M831-L884 HydrophobicContact CE-CG 4.09Å; M831-L884 WeakPolarHBondContact O-CD2 3.25Å; M831-L884 HydrophobicContact SD-CD2 4.29Å; C834-L884 HydrophobicContact CB-CD2 3.76Å; L873-L884 HydrophobicContact CD2-CB 4.42Å; L873-L884 HydrophobicContact CD2-CD1 3.87Å; C876-L884 VanDerWaalsContact SG-CD1 3.59Å; Q880-L884 WeakPolarHBondContact O-CG 3.2Å; Q880-L884 PolarHBondContact O-N 2.89Å; Q880-L884 VanDerWaalsContact O-N 3.16Å; W881-L884 PolarHBondContact O-N 3.19Å; W881-L884 VanDerWaalsContact O-N 3.15Å; E882-L884 VanDerWaalsContact C-N 3.29Å; E882-L884 PolarHBondContact O-N 2.93Å; L884-G886 PolarHBondContact O-N 3.45Å; L884-V887 WeakPolarHBondContact O-CB 3.3Å; L884-V887 PolarHBondContact O-N 3.41Å; L884-V887 VanDerWaalsContact O-N 3.11Å; L884-L888 WeakPolarHBondContact O-CG 3.22Å; L884-L888 PolarHBondContact O-N 3.28Å
885L93.8Very high91.5Very high7 Ų732.8 Ų32.84%0.03718%0.183CC..Hα-helixtrans-58.7-37.6170.3-66.9-176.7000111.3W881 E882 L888 R889 L923 L927 A958W881-L885 WeakPolarHBondContact O-CG 3.45Å; W881-L885 PolarHBondContact O-N 2.77Å; E882-L885 PolarHBondContact O-N 3.46Å; L885-L888 PolarHBondContact O-N 2.84Å; L885-R889 VanDerWaalsContact O-CG 3.27Å; L885-R889 WeakPolarHBondContact O-CG 3.33Å; L885-R889 PolarHBondContact O-N 2.97Å; L885-L923 HydrophobicContact CD2-CD1 4.22Å; L885-L923 HydrophobicContact CD2-CD2 4.45Å; L885-L927 HydrophobicContact CD2-CD1 4.04Å; L885-L927 HydrophobicContact CD2-CD2 4.28Å; L885-A958 HydrophobicContact CD1-CB 3.73Å; L885-A958 HydrophobicContact CD2-CB 4.37Å
886G94.1Very high91.7Very high29 Ų2933.4 Ų33.430%0.29919%0.185SC..Hα-helixtrans-57.9-48.817100000112.8E882 R883 L884 L888 R889 E890E882-G886 PolarHBondContact O-N 3.2Å; R883-G886 PolarHBondContact O-N 3.32Å; L884-G886 PolarHBondContact O-N 3.45Å; G886-L888 VanDerWaalsContact C-N 3.34Å; G886-L888 PolarHBondContact O-N 3.42Å; G886-R889 PolarHBondContact O-N 3.32Å; G886-E890 PolarHBondContact O-N 3.33Å
887V95.4Very high91.9Very high0 Ų033.4 Ų33.40%019%0.185CC..Hα-helixtrans-55.7-47.2174172.60000111.8W830 C834 R841 L845 R883 L884 R889 E890 L891W830-V887 HydrophobicContact CH2-CG1 3.46Å; W830-V887 VanDerWaalsContact CH2-CG1 3.46Å; W830-V887 HydrophobicContact CZ3-CG1 3.65Å; C834-V887 HydrophobicContact CB-CG2 3.92Å; R841-V887 HydrophobicContact CG-CG2 3.37Å; L845-V887 HydrophobicContact CD1-CG2 4.38Å; L845-V887 HydrophobicContact CD2-CG1 4.24Å; R883-V887 PolarHBondContact O-N 2.85Å; L884-V887 WeakPolarHBondContact O-CB 3.3Å; L884-V887 PolarHBondContact O-N 3.41Å; L884-V887 VanDerWaalsContact O-N 3.11Å; V887-R889 PolarHBondContact O-N 3.18Å; V887-E890 PolarHBondContact O-N 3.05Å; V887-L891 HydrophobicContact CG1-CD1 3.83Å; V887-L891 HydrophobicContact CG1-CG 4.2Å; V887-L891 WeakPolarHBondContact O-CG 3.38Å; V887-L891 PolarHBondContact O-N 2.99Å
888L95Very high91.7Very high1 Ų136.7 Ų36.71%0.00521%0.208CC..Hα-helixtrans-65.6-40.1-178-62178.1000112L865 L869 L884 L885 G886 L891 I892 L897 L923 L926L865-L888 HydrophobicContact CD2-CD2 3.93Å; L869-L888 HydrophobicContact CD1-CD1 4.28Å; L869-L888 HydrophobicContact CD1-CD2 3.95Å; L869-L888 HydrophobicContact CD2-CD1 3.83Å; L869-L888 HydrophobicContact CD2-CD2 4.14Å; L869-L888 HydrophobicContact CD2-CG 4.41Å; L884-L888 WeakPolarHBondContact O-CG 3.22Å; L884-L888 PolarHBondContact O-N 3.28Å; L885-L888 PolarHBondContact O-N 2.84Å; G886-L888 VanDerWaalsContact C-N 3.34Å; G886-L888 PolarHBondContact O-N 3.42Å; L888-L891 PolarHBondContact O-N 3.24Å; L888-I892 WeakPolarHBondContact O-CB 3.42Å; L888-I892 WeakPolarHBondContact O-CD1 3.3Å; L888-I892 WeakPolarHBondContact O-CG1 3.42Å; L888-I892 PolarHBondContact O-N 3.12Å; L888-L897 HydrophobicContact CD2-CD2 3.98Å; L888-L923 HydrophobicContact CB-CD1 3.8Å; L888-L923 HydrophobicContact CD1-CD1 3.85Å; L888-L926 HydrophobicContact CD1-CD2 3.99Å; L888-L926 HydrophobicContact CD2-CD2 4.01Å; L888-L926 HydrophobicContact CG-CD2 4.4Å
889R93.8Very high91.5Very high58 Ų5835 Ų3522%0.21920%0.197CC..Hα-helixtrans-61.4-43.1173.8-70170.8-178.9-110.313.3111.5L885 G886 V887 I892 T893 L923 C965L885-R889 VanDerWaalsContact O-CG 3.27Å; L885-R889 WeakPolarHBondContact O-CG 3.33Å; L885-R889 PolarHBondContact O-N 2.97Å; G886-R889 PolarHBondContact O-N 3.32Å; V887-R889 PolarHBondContact O-N 3.18Å; R889-I892 PolarHBondContact O-N 3.47Å; R889-T893 VanDerWaalsContact O-CB 3.29Å; R889-T893 WeakPolarHBondContact O-CB 3.42Å; R889-T893 PolarHBondContact O-N 3.34Å; R889-T893 PolarHBondContact O-OG1 2.91Å; R889-L923 HydrophobicContact CG-CD2 4Å; R889-C965 PolarHBondContact NH1-SG 3.32Å; R889-C965 PolarHBondContact NH2-SG 3.43Å
890E94Very high91.1Very high107 Ų10736.7 Ų36.750%0.521%0.208SC..Hα-helixtrans-64-46.3177.1-172.163.6-161.400111.7L845 G886 V887 I892 T893 S894L845-E890 HydrophobicContact CD1-CB 4.39Å; L845-E890 HydrophobicContact CD1-CG 4.12Å; L845-E890 HydrophobicContact CD2-CB 4.37Å; L845-E890 HydrophobicContact CD2-CG 4.1Å; G886-E890 PolarHBondContact O-N 3.33Å; V887-E890 PolarHBondContact O-N 3.05Å; E890-I892 PolarHBondContact O-N 3.41Å; E890-T893 PolarHBondContact O-N 3.26Å; E890-S894 VanDerWaalsContact O-CB 3.25Å; E890-S894 WeakPolarHBondContact O-CB 3.39Å; E890-S894 PolarHBondContact O-N 3.17Å; E890-S894 PolarHBondContact O-OG 3.32Å
891L93.7Very high90.2Very high0 Ų039.7 Ų39.70%022%0.221CC..Hα-helixtrans-66.6-36.3178.6-67.7175.8000112.9W830 L845 L848 F861 L865 V887 L888 S894 A895 R896 L897W830-L891 HydrophobicContact CH2-CD1 3.96Å; W830-L891 HydrophobicContact CH2-CD2 4.47Å; W830-L891 HydrophobicContact CZ3-CD1 4.24Å; L845-L891 HydrophobicContact CD2-CD2 4.02Å; L845-L891 HydrophobicContact CD2-CG 4.25Å; L848-L891 HydrophobicContact CD2-CD2 3.79Å; F861-L891 HydrophobicContact CE1-CD1 4.22Å; F861-L891 HydrophobicContact CZ-CD1 4.07Å; F861-L891 HydrophobicContact CZ-CD2 4.5Å; L865-L891 HydrophobicContact CD2-CD1 3.77Å; V887-L891 HydrophobicContact CG1-CD1 3.83Å; V887-L891 HydrophobicContact CG1-CG 4.2Å; V887-L891 WeakPolarHBondContact O-CG 3.38Å; V887-L891 PolarHBondContact O-N 2.99Å; L888-L891 PolarHBondContact O-N 3.24Å; L891-S894 WeakPolarHBondContact CA-OG 3.29Å; L891-S894 PolarHBondContact O-OG 3.03Å; L891-A895 PolarHBondContact O-N 3.18Å; L891-R896 HydrophobicContact CB-CB 4.47Å; L891-R896 HydrophobicContact CD2-CB 3.77Å; L891-R896 PolarHBondContact O-N 3.15Å; L891-L897 HydrophobicContact CB-CB 3.68Å; L891-L897 HydrophobicContact CB-CD2 4.21Å; L891-L897 HydrophobicContact CD1-CD2 4.48Å; L891-L897 PolarHBondContact O-N 3.27Å
892I91.4Very high89.1Confident6 Ų641 Ų413%0.03123%0.23CC..Hα-helixtrans-67.5-47.3174.6-70.3164.3000110.3L888 R889 E890 A895 L897 R922 L923L888-I892 WeakPolarHBondContact O-CB 3.42Å; L888-I892 WeakPolarHBondContact O-CD1 3.3Å; L888-I892 WeakPolarHBondContact O-CG1 3.42Å; L888-I892 PolarHBondContact O-N 3.12Å; R889-I892 PolarHBondContact O-N 3.47Å; E890-I892 PolarHBondContact O-N 3.41Å; I892-A895 PolarHBondContact O-N 3.09Å; I892-A895 VanDerWaalsContact O-N 3.14Å; I892-L897 HydrophobicContact CG1-CB 4.5Å; I892-L897 HydrophobicContact CG1-CD2 4.15Å; I892-L897 HydrophobicContact CG1-CG 4.45Å; I892-R922 HydrophobicContact CD1-CB 4.07Å; I892-R922 HydrophobicContact CG2-CB 4.18Å; I892-L923 HydrophobicContact CD1-CB 4.2Å
893T89.8Confident87.8Confident105 Ų10537.3 Ų37.364%0.64421%0.213SC*.Hα-helixtrans-68.8-39.3-176.6-54.90000112R889 E890 A895R889-T893 VanDerWaalsContact O-CB 3.29Å; R889-T893 WeakPolarHBondContact O-CB 3.42Å; R889-T893 PolarHBondContact O-N 3.34Å; R889-T893 PolarHBondContact O-OG1 2.91Å; E890-T893 PolarHBondContact O-N 3.26Å; T893-A895 PolarHBondContact O-N 3.14Å
894S89.7Confident86.2Confident28 Ų2842.8 Ų42.820%0.19624%0.241CC..THydrogen-bonded Turntrans-76.12.2173.463.50000114R852 E890 L891 R896R852-S894 PolarHBondContact NE-O 3.39Å; R852-S894 PolarHBondContact NH2-O 3.5Å; E890-S894 VanDerWaalsContact O-CB 3.25Å; E890-S894 WeakPolarHBondContact O-CB 3.39Å; E890-S894 PolarHBondContact O-N 3.17Å; E890-S894 PolarHBondContact O-OG 3.32Å; L891-S894 WeakPolarHBondContact CA-OG 3.29Å; L891-S894 PolarHBondContact O-OG 3.03Å; S894-R896 PolarHBondContact O-N 3.38Å; S894-R896 WeakPolarHBondContact OG-CG 3.33Å
895A85.9Confident84.3Confident59 Ų5949.2 Ų49.249%0.48827%0.266SS..THydrogen-bonded Turntrans52.332-175.200000113.9L891 I892 T893L891-A895 PolarHBondContact O-N 3.18Å; I892-A895 PolarHBondContact O-N 3.09Å; I892-A895 VanDerWaalsContact O-N 3.14Å; T893-A895 PolarHBondContact O-N 3.14Å
896R88.6Confident82.7Confident61 Ų6151.4 Ų51.423%0.2328%0.28CS..  trans-87.4-14.7170.6-70.4-179.7177.7-166.8-0.2112.4L845 L850 R852 F861 L891 S894L845-R896 PolarHBondContact O-NH1 3.4Å; L850-R896 HydrophobicContact CD2-CB 4.03Å; L850-R896 HydrophobicContact CD2-CG 4.48Å; L850-R896 VanDerWaalsContact CD2-O 3.26Å; L850-R896 WeakPolarHBondContact CD2-O 3.43Å; R852-R896 HydrophobicContact CG-CG 4.21Å; F861-R896 WeakPolarHBondContact CD1-O 3.39Å; F861-R896 WeakPolarHBondContact CE1-O 3.36Å; L891-R896 HydrophobicContact CB-CB 4.47Å; L891-R896 HydrophobicContact CD2-CB 3.77Å; L891-R896 PolarHBondContact O-N 3.15Å; S894-R896 PolarHBondContact O-N 3.38Å; S894-R896 WeakPolarHBondContact OG-CG 3.33Å
897L90.4Very high80.8Confident3 Ų356.8 Ų56.82%0.01630%0.302CS..SBendtrans-123.6124177.7179.557.7000110.9F861 L865 L888 L891 I892 V899 L926F861-L897 HydrophobicContact CE1-CD1 4.49Å; L865-L897 HydrophobicContact CD2-CD1 3.71Å; L865-L897 HydrophobicContact CD2-CD2 3.67Å; L865-L897 HydrophobicContact CD2-CG 4.28Å; L888-L897 HydrophobicContact CD2-CD2 3.98Å; L891-L897 HydrophobicContact CB-CB 3.68Å; L891-L897 HydrophobicContact CB-CD2 4.21Å; L891-L897 HydrophobicContact CD1-CD2 4.48Å; L891-L897 PolarHBondContact O-N 3.27Å; I892-L897 HydrophobicContact CG1-CB 4.5Å; I892-L897 HydrophobicContact CG1-CD2 4.15Å; I892-L897 HydrophobicContact CG1-CG 4.45Å; L897-V899 HydrophobicContact CD1-CG2 4.49Å; L897-V899 HydrophobicContact CD2-CG2 4.41Å; L897-V899 HydrophobicContact CG-CG2 3.95Å; L897-L926 HydrophobicContact CD2-CD2 3.8Å
898S86.2Confident79.1Confident73 Ų7365.4 Ų65.451%0.5134%0.34SS..  trans-98.899.5-176.4172.90000111.1S862S862-S898 PolarHBondContact OG-N 3.01Å
899V84.6Confident77.6Confident12 Ų1269 Ų697%0.07336%0.359CS..  trans-119.8135.4173.6-165.50000109.3L897 R922 V925 L926L897-V899 HydrophobicContact CD1-CG2 4.49Å; L897-V899 HydrophobicContact CD2-CG2 4.41Å; L897-V899 HydrophobicContact CG-CG2 3.95Å; V899-R922 HydrophobicContact CB-CB 4.06Å; V899-R922 HydrophobicContact CB-CG 4.24Å; V899-R922 HydrophobicContact CG1-CB 4.39Å; V899-R922 WeakPolarHBondContact CG1-O 3.41Å; V899-R922 PolarHBondContact O-NE 3.4Å; V899-V925 HydrophobicContact CG1-CB 4.24Å; V899-V925 HydrophobicContact CG1-CG1 3.97Å; V899-L926 HydrophobicContact CG1-CB 4.16Å; V899-L926 HydrophobicContact CG2-CB 4.28Å; V899-L926 HydrophobicContact CG2-CD1 4.38Å; V899-L926 HydrophobicContact CG2-CD2 4.34Å
900P81.9Confident76.5Confident73 Ų7368.7 Ų68.747%0.47436%0.364SS..  trans-67.4160.3174.129.8-36.1000112.1S902 V925P900-S902 VanDerWaalsContact C-N 3.33Å; P900-S902 WeakPolarHBondContact CB-O 3.19Å; P900-S902 WeakPolarHBondContact CG-O 3.39Å; P900-V925 HydrophobicContact CG-CG1 4.32Å
901F70.4Confident75.6Confident72 Ų7272.4 Ų72.432%0.31639%0.386SS..SBendtrans-78.5-17.7176-68.5-82.3000113.6L909 S918 R922F901-L909 HydrophobicContact CB-CD1 4.33Å; F901-S918 VanDerWaalsContact CE1-OG 3.26Å; F901-S918 WeakPolarHBondContact CE1-OG 3.44Å; F901-R922 HydrophobicContact CD1-CG 4.41Å
902S69.9Low75Confident29 Ų2974.5 Ų74.520%0.20340%0.397CS..SBendtrans-143.2174-176.3570000110.6P900P900-S902 VanDerWaalsContact C-N 3.33Å; P900-S902 WeakPolarHBondContact CB-O 3.19Å; P900-S902 WeakPolarHBondContact CG-O 3.39Å
903L65.4Low74.5Confident8 Ų877 Ų774%0.04241%0.411CS..  trans-89.7159.2176.7-61.9166.7000110.6Y905 V906 V925 L928L903-Y905 HydrophobicContact CB-CD1 4.2Å; L903-Y905 HydrophobicContact CB-CE1 3.8Å; L903-Y905 HydrophobicContact CB-CE2 4.31Å; L903-Y905 HydrophobicContact CD1-CE1 4.11Å; L903-Y905 HydrophobicContact CD1-CE2 4.41Å; L903-Y905 WeakPolarHBondContact CD1-OH 3.29Å; L903-Y905 PolarHBondContact O-N 3.14Å; L903-V906 WeakPolarHBondContact O-CB 3.47Å; L903-V906 PolarHBondContact O-N 3.34Å; L903-V925 HydrophobicContact CD2-CG1 4.07Å; L903-L928 HydrophobicContact CD1-CD2 3.67Å; L903-L928 HydrophobicContact CD2-CD2 4.14Å
904E60.4Low74.2Confident167 Ų16772.7 Ų72.778%0.7838%0.383SS*.THydrogen-bonded Turntrans-59.1-10.3-172.6-75.6135.2-147.700116R929E904-R929 IonicContact OE1-CZ 3.68Å; E904-R929 IonicContact OE1-NH2 3.96Å; E904-R929 PolarHBondContact OE1-NH2 3.39Å; E904-R929 IonicContact OE2-CZ 2.68Å; E904-R929 IonicContact OE2-NH2 2.76Å; E904-R929 PolarHBondContact OE2-NH2 3.18Å
905Y56.3Low73.8Confident136 Ų13680.4 Ų80.453%0.53341%0.408SS..THydrogen-bonded Turntrans-106.514.7178.453.9-102000113.4L903L903-Y905 HydrophobicContact CB-CD1 4.2Å; L903-Y905 HydrophobicContact CB-CE1 3.8Å; L903-Y905 HydrophobicContact CB-CE2 4.31Å; L903-Y905 HydrophobicContact CD1-CE1 4.11Å; L903-Y905 HydrophobicContact CD1-CE2 4.41Å; L903-Y905 WeakPolarHBondContact CD1-OH 3.29Å; L903-Y905 PolarHBondContact O-N 3.14Å
906V60.7Low73.7Confident53 Ų5382.7 Ų82.732%0.32141%0.409SS..  trans-107.286.8176.3-177.30000108.7L903 F908L903-V906 WeakPolarHBondContact O-CB 3.47Å; L903-V906 PolarHBondContact O-N 3.34Å; V906-F908 WeakPolarHBondContact CG1-O 3.31Å; V906-F908 PolarHBondContact O-N 2.75Å
907D52.5Low73.6Confident142 Ų14279.8 Ų79.876%0.75940%0.398SS*.  trans-62.9-26.8-174.7-64.1-45.5000113.7
908F60Low73.4Confident180 Ų18081 Ų8179%0.78941%0.406SS*.  trans-137.6133.2-178.5-57.1-81000111.1V906V906-F908 WeakPolarHBondContact CG1-O 3.31Å; V906-F908 PolarHBondContact O-N 2.75Å
909L64.3Low73.6Confident78 Ų7878.5 Ų78.541%0.40839%0.389SS..  trans-85.7152166-75170.8000110.1F901F901-L909 HydrophobicContact CB-CD1 4.33Å
910P69.5Low73.9Confident50 Ų5078.3 Ų78.333%0.32539%0.387SS..  trans-67.6159.6173.933-38.6000111.3L912 L914 F1031P910-L912 HydrophobicContact CB-CD1 4.09Å; P910-L912 HydrophobicContact CB-CG 4.09Å; P910-L912 HydrophobicContact CG-CB 4.42Å; P910-L912 HydrophobicContact CG-CD1 4.06Å; P910-L912 HydrophobicContact CG-CG 4.3Å; P910-L912 PolarHBondContact O-N 2.94Å; P910-L914 HydrophobicContact CG-CD1 4.43Å; P910-F1031 HydrophobicContact CG-CD1 4.48Å; P910-F1031 HydrophobicContact CG-CD2 3.84Å; P910-F1031 HydrophobicContact CG-CE1 4.34Å; P910-F1031 HydrophobicContact CG-CE2 3.67Å; P910-F1031 HydrophobicContact CG-CG 4.24Å; P910-F1031 HydrophobicContact CG-CZ 3.93Å
911L75.4Confident74.2Confident186 Ų18675 Ų7597%0.97437%0.366SS*.SBendtrans-79.848.5179.2-60.9175.8000112.4
912L80.8Confident75.2Confident44 Ų4474 Ų7423%0.2336%0.36CS..SBendtrans-115.3151.6-175.3-63.9177000111.4P910 L914 Q1027 E1028 F1031P910-L912 HydrophobicContact CB-CD1 4.09Å; P910-L912 HydrophobicContact CB-CG 4.09Å; P910-L912 HydrophobicContact CG-CB 4.42Å; P910-L912 HydrophobicContact CG-CD1 4.06Å; P910-L912 HydrophobicContact CG-CG 4.3Å; P910-L912 PolarHBondContact O-N 2.94Å; L912-L914 VanDerWaalsContact C-N 3.3Å; L912-L914 HydrophobicContact CB-CD2 4.2Å; L912-L914 HydrophobicContact CB-CG 4.37Å; L912-L914 PolarHBondContact O-N 2.93Å; L912-Q1027 HydrophobicContact CD1-CB 4.25Å; L912-Q1027 HydrophobicContact CD2-CB 3.68Å; L912-E1028 HydrophobicContact CB-CG 4.14Å; L912-F1031 HydrophobicContact CD1-CB 4.02Å; L912-F1031 HydrophobicContact CD1-CG 4.48Å
913D82.3Confident76.3Confident58 Ų5872.6 Ų72.631%0.3135%0.35SS..  trans-85.370.3-179.3-166.93.1000112.8R915 E1028D913-R915 PolarHBondContact O-N 2.94Å; D913-R915 VanDerWaalsContact OD1-CB 3.22Å; D913-R915 WeakPolarHBondContact OD1-CB 3.46Å; D913-R915 WeakPolarHBondContact OD1-CG 3.42Å; D913-R915 IonicContact OD1-CZ 2.72Å; D913-R915 PolarHBondContact OD1-N 2.61Å; D913-R915 IonicContact OD1-NE 2.79Å; D913-R915 PolarHBondContact OD1-NE 3.29Å; D913-R915 IonicContact OD1-NH2 2.67Å; D913-R915 IonicContact OD2-CZ 2.68Å; D913-R915 IonicContact OD2-NE 3.23Å; D913-R915 PolarHBondContact OD2-NE 3.1Å; D913-R915 IonicContact OD2-NH2 2.95Å; D913-R915 PolarHBondContact OD2-NH2 3.15Å; D913-E1028 PolarHBondContact N-OE1 3.49Å
914L82.7Confident77.6Confident14 Ų1472.3 Ų72.37%0.07335%0.348CS..G310 helixtrans-65.40.5179.2-56.2179.5000114.1P910 L912 Q916 F917 S918 L921 E1028 F1031P910-L914 HydrophobicContact CG-CD1 4.43Å; L912-L914 VanDerWaalsContact C-N 3.3Å; L912-L914 HydrophobicContact CB-CD2 4.2Å; L912-L914 HydrophobicContact CB-CG 4.37Å; L912-L914 PolarHBondContact O-N 2.93Å; L914-Q916 VanDerWaalsContact C-N 3.3Å; L914-Q916 PolarHBondContact O-N 3.26Å; L914-F917 CarbonylContact O-C 3.49Å; L914-F917 PolarHBondContact O-N 2.84Å; L914-F917 VanDerWaalsContact O-N 3.07Å; L914-S918 PolarHBondContact O-N 3.04Å; L914-L921 HydrophobicContact CB-CD1 4.01Å; L914-L921 HydrophobicContact CD1-CD1 4.1Å; L914-L921 HydrophobicContact CD2-CD1 4.26Å; L914-L921 HydrophobicContact CG-CD1 4.35Å; L914-E1028 HydrophobicContact CD2-CB 4.28Å; L914-E1028 HydrophobicContact CD2-CG 4.17Å; L914-F1031 HydrophobicContact CD1-CD1 3.98Å; L914-F1031 HydrophobicContact CD1-CE1 3.62Å; L914-F1031 HydrophobicContact CD1-CZ 4.43Å; L914-F1031 HydrophobicContact CD2-CD1 3.66Å; L914-F1031 HydrophobicContact CD2-CE1 4.18Å; L914-F1031 HydrophobicContact CD2-CG 4.49Å; L914-F1031 HydrophobicContact CG-CD1 4.5Å
915R82.4Confident79.1Confident190 Ų19064.5 Ų64.572%0.71731%0.312SS*.G310 helixtrans-57.7-40.8179.2-69.2-179.5-68.1-178.9-0.5112.1D913 F917 S918D913-R915 PolarHBondContact O-N 2.94Å; D913-R915 VanDerWaalsContact OD1-CB 3.22Å; D913-R915 WeakPolarHBondContact OD1-CB 3.46Å; D913-R915 WeakPolarHBondContact OD1-CG 3.42Å; D913-R915 IonicContact OD1-CZ 2.72Å; D913-R915 PolarHBondContact OD1-N 2.61Å; D913-R915 IonicContact OD1-NE 2.79Å; D913-R915 PolarHBondContact OD1-NE 3.29Å; D913-R915 IonicContact OD1-NH2 2.67Å; D913-R915 IonicContact OD2-CZ 2.68Å; D913-R915 IonicContact OD2-NE 3.23Å; D913-R915 PolarHBondContact OD2-NE 3.1Å; D913-R915 IonicContact OD2-NH2 2.95Å; D913-R915 PolarHBondContact OD2-NH2 3.15Å; R915-F917 PolarHBondContact O-N 2.9Å; R915-S918 VanDerWaalsContact O-CB 3.23Å; R915-S918 WeakPolarHBondContact O-CB 3.46Å; R915-S918 PolarHBondContact O-N 3.49Å
916Q83.2Confident80.9Confident108 Ų10858.4 Ų58.451%0.50529%0.289SS..G310 helixtrans-65.5-24.1179.2-58.6-169.924.800113.1L914 K969L914-Q916 VanDerWaalsContact C-N 3.3Å; L914-Q916 PolarHBondContact O-N 3.26Å; Q916-K969 PolarHBondContact O-NZ 3.3Å
917F87.3Confident82.4Confident0 Ų056 Ų560%027%0.274CS..G310 helixtrans-108.411.2-178.3-53.9-85.5000112.6L914 R915 C919 E920 L921 V966 K969 P1025 E1028 V1029 V1032L914-F917 CarbonylContact O-C 3.49Å; L914-F917 PolarHBondContact O-N 2.84Å; L914-F917 VanDerWaalsContact O-N 3.07Å; R915-F917 PolarHBondContact O-N 2.9Å; F917-C919 PolarHBondContact O-N 3.41Å; F917-C919 VanDerWaalsContact O-N 3.17Å; F917-E920 WeakPolarHBondContact CA-OE2 3.47Å; F917-E920 PolarHBondContact O-N 2.94Å; F917-L921 HydrophobicContact CB-CD1 4.3Å; F917-L921 PolarHBondContact O-N 2.92Å; F917-V966 HydrophobicContact CD1-CG1 4.29Å; F917-V966 HydrophobicContact CD1-CG2 4.17Å; F917-V966 HydrophobicContact CE1-CG1 4.06Å; F917-K969 HydrophobicContact CD1-CD 3.9Å; F917-K969 HydrophobicContact CE1-CB 3.87Å; F917-K969 HydrophobicContact CE1-CD 3.63Å; F917-K969 HydrophobicContact CE1-CG 4.36Å; F917-K969 HydrophobicContact CZ-CB 4.01Å; F917-K969 HydrophobicContact CZ-CD 4.25Å; F917-P1025 HydrophobicContact CE2-CB 4.02Å; F917-P1025 HydrophobicContact CZ-CB 4.14Å; F917-P1025 HydrophobicContact CZ-CG 4.21Å; F917-E1028 HydrophobicContact CD2-CB 3.69Å; F917-E1028 HydrophobicContact CD2-CG 4.28Å; F917-E1028 HydrophobicContact CE2-CB 3.4Å; F917-E1028 VanDerWaalsContact CE2-CB 3.4Å; F917-E1028 HydrophobicContact CE2-CG 4.09Å; F917-E1028 HydrophobicContact CZ-CB 4.26Å; F917-V1029 HydrophobicContact CE1-CG2 3.71Å; F917-V1029 HydrophobicContact CZ-CG2 3.6Å; F917-V1032 HydrophobicContact CB-CG2 3.67Å; F917-V1032 HydrophobicContact CD1-CG2 4.2Å; F917-V1032 HydrophobicContact CG-CG2 3.87Å
918S86.3Confident84.3Confident27 Ų2749.2 Ų49.219%0.18924%0.238CC..Hα-helixtrans-56.5-33-177.1178.70000113F901 L914 R915 R922F901-S918 VanDerWaalsContact CE1-OG 3.26Å; F901-S918 WeakPolarHBondContact CE1-OG 3.44Å; L914-S918 PolarHBondContact O-N 3.04Å; R915-S918 VanDerWaalsContact O-CB 3.23Å; R915-S918 WeakPolarHBondContact O-CB 3.46Å; R915-S918 PolarHBondContact O-N 3.49Å; S918-R922 VanDerWaalsContact O-CB 3.27Å; S918-R922 WeakPolarHBondContact O-CB 3.44Å; S918-R922 WeakPolarHBondContact O-CD 3.38Å; S918-R922 WeakPolarHBondContact O-CG 3.49Å; S918-R922 PolarHBondContact O-N 3.26Å
919C90Very high85.8Confident22 Ų2243.4 Ų43.415%0.14921%0.211CC..Hα-helixtrans-75.7-45.6-178.8-168.20000111.6F917 L923F917-C919 PolarHBondContact O-N 3.41Å; F917-C919 VanDerWaalsContact O-N 3.17Å; C919-L923 WeakPolarHBondContact O-CB 3.18Å; C919-L923 PolarHBondContact O-N 2.85Å
920E91.1Very high87.2Confident8 Ų839.9 Ų39.94%0.03719%0.192CC..Hα-helixtrans-71.4-41-176.8-6377.7-171.300111.8F917 L923 S924 M962 C965 V966 K969F917-E920 WeakPolarHBondContact CA-OE2 3.47Å; F917-E920 PolarHBondContact O-N 2.94Å; E920-L923 PolarHBondContact O-N 3.43Å; E920-S924 VanDerWaalsContact O-CB 3.32Å; E920-S924 WeakPolarHBondContact O-CB 3.39Å; E920-S924 PolarHBondContact O-N 2.92Å; E920-M962 HydrophobicContact CB-CB 4.4Å; E920-M962 HydrophobicContact CB-CG 4.42Å; E920-M962 HydrophobicContact CG-CB 4.37Å; E920-M962 HydrophobicContact CG-CG 4.41Å; E920-C965 HydrophobicContact CG-CB 4.06Å; E920-V966 HydrophobicContact CB-CG2 4.27Å; E920-V966 HydrophobicContact CG-CG2 4.22Å; E920-K969 IonicContact OE1-NZ 3.75Å; E920-K969 PolarHBondContact OE1-NZ 3.31Å; E920-K969 IonicContact OE2-NZ 2.73Å; E920-K969 PolarHBondContact OE2-NZ 2.9Å
921L88.4Confident88.3Confident3 Ų337.7 Ų37.72%0.01618%0.178CC..Hα-helixtrans-60.3-50.9174.5-73.8169.9000111.4L914 F917 S924 V925 F1031 V1032 Q1035L914-L921 HydrophobicContact CB-CD1 4.01Å; L914-L921 HydrophobicContact CD1-CD1 4.1Å; L914-L921 HydrophobicContact CD2-CD1 4.26Å; L914-L921 HydrophobicContact CG-CD1 4.35Å; F917-L921 HydrophobicContact CB-CD1 4.3Å; F917-L921 PolarHBondContact O-N 2.92Å; L921-S924 PolarHBondContact O-N 3.46Å; L921-V925 WeakPolarHBondContact O-CG2 3.47Å; L921-V925 PolarHBondContact O-N 2.93Å; L921-F1031 HydrophobicContact CD2-CE1 4.49Å; L921-V1032 HydrophobicContact CD1-CG2 4.09Å; L921-V1032 HydrophobicContact CD2-CB 4.36Å; L921-V1032 HydrophobicContact CD2-CG1 4.2Å; L921-V1032 HydrophobicContact CD2-CG2 3.91Å; L921-V1032 HydrophobicContact CG-CG2 3.98Å; L921-Q1035 HydrophobicContact CD2-CB 4.15Å; L921-Q1035 HydrophobicContact CD2-CG 4.08Å
922R90.6Very high89Confident50 Ų5030.3 Ų30.319%0.18914%0.138CC..Hα-helixtrans-64.2-41.4178.9-73.4177.9-178.6-164.9-3.7112.4I892 V899 F901 S918 S924 V925 L926I892-R922 HydrophobicContact CD1-CB 4.07Å; I892-R922 HydrophobicContact CG2-CB 4.18Å; V899-R922 HydrophobicContact CB-CB 4.06Å; V899-R922 HydrophobicContact CB-CG 4.24Å; V899-R922 HydrophobicContact CG1-CB 4.39Å; V899-R922 WeakPolarHBondContact CG1-O 3.41Å; V899-R922 PolarHBondContact O-NE 3.4Å; F901-R922 HydrophobicContact CD1-CG 4.41Å; S918-R922 VanDerWaalsContact O-CB 3.27Å; S918-R922 WeakPolarHBondContact O-CB 3.44Å; S918-R922 WeakPolarHBondContact O-CD 3.38Å; S918-R922 WeakPolarHBondContact O-CG 3.49Å; S918-R922 PolarHBondContact O-N 3.26Å; R922-S924 VanDerWaalsContact C-N 3.33Å; R922-S924 PolarHBondContact O-N 3.36Å; R922-V925 PolarHBondContact O-N 3.22Å; R922-L926 VanDerWaalsContact O-CB 3.29Å; R922-L926 WeakPolarHBondContact O-CB 3.36Å; R922-L926 PolarHBondContact O-N 3.5Å
923L92.9Very high89.4Confident1 Ų132 Ų321%0.00515%0.148CC..Hα-helixtrans-63.9-40.1176.8-178.160.3000111.3L885 L888 R889 I892 C919 E920 L926 L927 M962L885-L923 HydrophobicContact CD2-CD1 4.22Å; L885-L923 HydrophobicContact CD2-CD2 4.45Å; L888-L923 HydrophobicContact CB-CD1 3.8Å; L888-L923 HydrophobicContact CD1-CD1 3.85Å; R889-L923 HydrophobicContact CG-CD2 4Å; I892-L923 HydrophobicContact CD1-CB 4.2Å; C919-L923 WeakPolarHBondContact O-CB 3.18Å; C919-L923 PolarHBondContact O-N 2.85Å; E920-L923 PolarHBondContact O-N 3.43Å; L923-L926 PolarHBondContact O-N 3.32Å; L923-L927 HydrophobicContact CD1-CD1 4.24Å; L923-L927 HydrophobicContact CD1-CG 4.3Å; L923-L927 HydrophobicContact CG-CD1 4.12Å; L923-L927 WeakPolarHBondContact O-CB 3.44Å; L923-L927 VanDerWaalsContact O-CG 3.31Å; L923-L927 WeakPolarHBondContact O-CG 3.33Å; L923-L927 PolarHBondContact O-N 2.99Å; L923-M962 HydrophobicContact CB-SD 3.89Å; L923-M962 HydrophobicContact CD2-CG 4.13Å; L923-M962 HydrophobicContact CD2-SD 3.84Å; L923-M962 HydrophobicContact CG-SD 3.8Å
924S92.6Very high89.8Confident1 Ų129.4 Ų29.41%0.00713%0.134CC..Hα-helixtrans-67.2-43.4176.3-171.20000112.6E920 L921 R922 L926 L927 L928 L1036 H1039E920-S924 VanDerWaalsContact O-CB 3.32Å; E920-S924 WeakPolarHBondContact O-CB 3.39Å; E920-S924 PolarHBondContact O-N 2.92Å; L921-S924 PolarHBondContact O-N 3.46Å; R922-S924 VanDerWaalsContact C-N 3.33Å; R922-S924 PolarHBondContact O-N 3.36Å; S924-L926 VanDerWaalsContact C-N 3.33Å; S924-L926 PolarHBondContact O-N 3.24Å; S924-L927 PolarHBondContact O-N 3.33Å; S924-L928 WeakPolarHBondContact O-CB 3.46Å; S924-L928 PolarHBondContact O-N 2.99Å; S924-L1036 WeakPolarHBondContact OG-CD2 3.47Å; S924-H1039 PolarHBondContact OG-ND1 3.37Å
925V92Very high90Very high3 Ų330 Ų302%0.01814%0.138CC..Hα-helixtrans-60.5-42.3172.81710000111.1V899 P900 L903 L921 R922 L928 R929V899-V925 HydrophobicContact CG1-CB 4.24Å; V899-V925 HydrophobicContact CG1-CG1 3.97Å; P900-V925 HydrophobicContact CG-CG1 4.32Å; L903-V925 HydrophobicContact CD2-CG1 4.07Å; L921-V925 WeakPolarHBondContact O-CG2 3.47Å; L921-V925 PolarHBondContact O-N 2.93Å; R922-V925 PolarHBondContact O-N 3.22Å; V925-L928 PolarHBondContact O-N 3.31Å; V925-R929 WeakPolarHBondContact O-CG 3.47Å; V925-R929 PolarHBondContact O-N 2.96Å
926L93.2Very high90.2Very high9 Ų922 Ų225%0.04712%0.116CC..Hα-helixtrans-62.9-49.8178.1179.761.3000112L866 L869 L888 L897 V899 R922 L923 S924 L928 R929 V930L866-L926 HydrophobicContact CD1-CD1 4.03Å; L869-L926 HydrophobicContact CD1-CD1 4.23Å; L869-L926 HydrophobicContact CD1-CD2 4.15Å; L869-L926 HydrophobicContact CD1-CG 4.29Å; L888-L926 HydrophobicContact CD1-CD2 3.99Å; L888-L926 HydrophobicContact CD2-CD2 4.01Å; L888-L926 HydrophobicContact CG-CD2 4.4Å; L897-L926 HydrophobicContact CD2-CD2 3.8Å; V899-L926 HydrophobicContact CG1-CB 4.16Å; V899-L926 HydrophobicContact CG2-CB 4.28Å; V899-L926 HydrophobicContact CG2-CD1 4.38Å; V899-L926 HydrophobicContact CG2-CD2 4.34Å; R922-L926 VanDerWaalsContact O-CB 3.29Å; R922-L926 WeakPolarHBondContact O-CB 3.36Å; R922-L926 PolarHBondContact O-N 3.5Å; L923-L926 PolarHBondContact O-N 3.32Å; S924-L926 VanDerWaalsContact C-N 3.33Å; S924-L926 PolarHBondContact O-N 3.24Å; L926-L928 VanDerWaalsContact C-N 3.29Å; L926-L928 PolarHBondContact O-N 3.39Å; L926-R929 PolarHBondContact O-N 3Å; L926-R929 VanDerWaalsContact O-N 3.1Å; L926-V930 WeakPolarHBondContact O-CG2 3.41Å; L926-V930 PolarHBondContact O-N 2.96Å
927L93.8Very high90.1Very high1 Ų122.5 Ų22.51%0.00513%0.131CC..Hα-helixtrans-63.4-35.5178-69.4170.8000111.8L873 W881 L885 L923 S924 V930 L931 Y955 A958 M962L873-L927 HydrophobicContact CD1-CD2 4.37Å; W881-L927 HydrophobicContact CZ2-CD2 4.31Å; L885-L927 HydrophobicContact CD2-CD1 4.04Å; L885-L927 HydrophobicContact CD2-CD2 4.28Å; L923-L927 HydrophobicContact CD1-CD1 4.24Å; L923-L927 HydrophobicContact CD1-CG 4.3Å; L923-L927 HydrophobicContact CG-CD1 4.12Å; L923-L927 WeakPolarHBondContact O-CB 3.44Å; L923-L927 VanDerWaalsContact O-CG 3.31Å; L923-L927 WeakPolarHBondContact O-CG 3.33Å; L923-L927 PolarHBondContact O-N 2.99Å; S924-L927 PolarHBondContact O-N 3.33Å; L927-V930 PolarHBondContact O-N 3Å; L927-L931 WeakPolarHBondContact O-CB 3.26Å; L927-L931 WeakPolarHBondContact O-CG 3.27Å; L927-L931 PolarHBondContact O-N 2.99Å; L927-Y955 HydrophobicContact CB-CD2 4.18Å; L927-Y955 HydrophobicContact CB-CE2 3.73Å; L927-Y955 HydrophobicContact CD1-CD2 4.31Å; L927-Y955 HydrophobicContact CD1-CE2 4.16Å; L927-A958 HydrophobicContact CD1-CB 4.06Å; L927-M962 HydrophobicContact CD1-CE 4.18Å
928L92.5Very high90Very high0 Ų027.5 Ų27.50%017%0.165CC..Hα-helixtrans-61.7-44.1170.6175.961.6000111.8L903 S924 V925 L926 L931 Q932 H1039 H1042 I1043L903-L928 HydrophobicContact CD1-CD2 3.67Å; L903-L928 HydrophobicContact CD2-CD2 4.14Å; S924-L928 WeakPolarHBondContact O-CB 3.46Å; S924-L928 PolarHBondContact O-N 2.99Å; V925-L928 PolarHBondContact O-N 3.31Å; L926-L928 VanDerWaalsContact C-N 3.29Å; L926-L928 PolarHBondContact O-N 3.39Å; L928-L931 PolarHBondContact O-N 3.02Å; L928-Q932 HydrophobicContact CD1-CG 4.03Å; L928-Q932 HydrophobicContact CG-CG 4.38Å; L928-Q932 WeakPolarHBondContact O-CB 3.17Å; L928-Q932 VanDerWaalsContact O-CG 3.24Å; L928-Q932 WeakPolarHBondContact O-CG 3.47Å; L928-Q932 PolarHBondContact O-N 3.38Å; L928-H1039 HydrophobicContact CD2-CB 4.22Å; L928-H1039 VanDerWaalsContact CD2-CD2 3.46Å; L928-H1039 WeakPolarHBondContact CD2-CD2 3.49Å; L928-H1042 HydrophobicContact CD1-CB 4.28Å; L928-I1043 HydrophobicContact CD1-CD1 3.79Å; L928-I1043 HydrophobicContact CD1-CG1 3.61Å
929R91.4Very high89.9Confident59 Ų5926.7 Ų26.722%0.22316%0.16CC..Hα-helixtrans-65-39.5176.1-67.9-45.7-156172.89.6112.8L866 E904 V925 L926 L931 Q932 L933L866-R929 HydrophobicContact CD1-CB 3.88Å; L866-R929 HydrophobicContact CD2-CB 4.44Å; E904-R929 IonicContact OE1-CZ 3.68Å; E904-R929 IonicContact OE1-NH2 3.96Å; E904-R929 PolarHBondContact OE1-NH2 3.39Å; E904-R929 IonicContact OE2-CZ 2.68Å; E904-R929 IonicContact OE2-NH2 2.76Å; E904-R929 PolarHBondContact OE2-NH2 3.18Å; V925-R929 WeakPolarHBondContact O-CG 3.47Å; V925-R929 PolarHBondContact O-N 2.96Å; L926-R929 PolarHBondContact O-N 3Å; L926-R929 VanDerWaalsContact O-N 3.1Å; R929-L931 PolarHBondContact O-N 2.98Å; R929-Q932 PolarHBondContact O-N 3.31Å; R929-L933 WeakPolarHBondContact O-CG 3.32Å; R929-L933 PolarHBondContact O-N 3.17Å; R929-L933 VanDerWaalsContact O-N 3.11Å
930V92.9Very high89.1Confident3 Ų327.8 Ų27.82%0.01817%0.171CC..Hα-helixtrans-57.1-49173.5168.40000110.9L866 L869 T870 L873 L926 L927 L933 L934L866-V930 HydrophobicContact CD1-CB 4.48Å; L866-V930 HydrophobicContact CD1-CG2 3.67Å; L869-V930 HydrophobicContact CB-CG1 4.47Å; L869-V930 HydrophobicContact CB-CG2 3.66Å; L869-V930 HydrophobicContact CD1-CG2 4.08Å; L869-V930 HydrophobicContact CG-CG2 4.45Å; T870-V930 PolarHBondContact OG1-O 2.87Å; L873-V930 HydrophobicContact CD1-CG1 3.92Å; L926-V930 WeakPolarHBondContact O-CG2 3.41Å; L926-V930 PolarHBondContact O-N 2.96Å; L927-V930 PolarHBondContact O-N 3Å; V930-L933 PolarHBondContact O-N 3.18Å; V930-L934 PolarHBondContact O-N 2.77Å
931L91.6Very high88.6Confident5 Ų535 Ų353%0.02621%0.209CC..Hα-helixtrans-75.7-29.3-176.2-68.4168.2000112.5L927 L928 R929 L933 L934 C935 I951 Y955 I1043L927-L931 WeakPolarHBondContact O-CB 3.26Å; L927-L931 WeakPolarHBondContact O-CG 3.27Å; L927-L931 PolarHBondContact O-N 2.99Å; L928-L931 PolarHBondContact O-N 3.02Å; R929-L931 PolarHBondContact O-N 2.98Å; L931-L933 VanDerWaalsContact C-N 3.34Å; L931-L934 HydrophobicContact CD2-CD2 4.08Å; L931-L934 PolarHBondContact O-N 2.76Å; L931-C935 WeakPolarHBondContact O-CB 3.17Å; L931-C935 PolarHBondContact O-N 3.02Å; L931-C935 PolarHBondContact O-SG 3.4Å; L931-C935 VanDerWaalsContact O-SG 3.41Å; L931-I951 HydrophobicContact CD2-CG2 3.56Å; L931-Y955 HydrophobicContact CD1-CD1 3.95Å; L931-Y955 HydrophobicContact CD1-CD2 3.64Å; L931-Y955 HydrophobicContact CD1-CE1 4.37Å; L931-Y955 HydrophobicContact CD1-CE2 4.09Å; L931-Y955 HydrophobicContact CD1-CG 3.58Å; L931-I1043 HydrophobicContact CB-CD1 4.12Å; L931-I1043 HydrophobicContact CB-CG1 4.13Å; L931-I1043 HydrophobicContact CD1-CD1 3.6Å; L931-I1043 HydrophobicContact CD1-CG1 4.34Å; L931-I1043 HydrophobicContact CD1-CG2 4.38Å; L931-I1043 HydrophobicContact CG-CD1 4.5Å
932Q90.4Very high88.3Confident30 Ų3039.9 Ų39.914%0.1423%0.228CC..Hα-helixtrans-63.2-37.5168.7-79.1174.7-1400112.6L928 R929 G936 H1042 M1046L928-Q932 HydrophobicContact CD1-CG 4.03Å; L928-Q932 HydrophobicContact CG-CG 4.38Å; L928-Q932 WeakPolarHBondContact O-CB 3.17Å; L928-Q932 VanDerWaalsContact O-CG 3.24Å; L928-Q932 WeakPolarHBondContact O-CG 3.47Å; L928-Q932 PolarHBondContact O-N 3.38Å; R929-Q932 PolarHBondContact O-N 3.31Å; Q932-G936 PolarHBondContact O-N 3.03Å; Q932-H1042 PolarHBondContact NE2-CE1 3.37Å; Q932-M1046 HydrophobicContact CB-CE 4.26Å; Q932-M1046 HydrophobicContact CG-CE 4.01Å; Q932-M1046 HydrophobicContact CG-SD 3.78Å
933L90.3Very high87.9Confident81 Ų8138.3 Ų38.342%0.42422%0.223SC..Hα-helixtrans-70.6-42.1173.1-69.9172.4000111.6L866 T870 R929 V930 L931 G936L866-L933 HydrophobicContact CD1-CD1 4.19Å; L866-L933 HydrophobicContact CD2-CD1 3.82Å; L866-L933 HydrophobicContact CG-CD1 3.7Å; T870-L933 HydrophobicContact CG2-CB 4.18Å; R929-L933 WeakPolarHBondContact O-CG 3.32Å; R929-L933 PolarHBondContact O-N 3.17Å; R929-L933 VanDerWaalsContact O-N 3.11Å; V930-L933 PolarHBondContact O-N 3.18Å; L931-L933 VanDerWaalsContact C-N 3.34Å; L933-G936 WeakPolarHBondContact O-CA 3.4Å; L933-G936 PolarHBondContact O-N 3.38Å
934L89.3Confident87.4Confident3 Ų340.5 Ų40.52%0.01624%0.238CC..Hα-helixtrans-65.9-40.9179.8-167.270000112.3T870 P874 V930 L931 G936 C939 W942 L943 W948 I951T870-L934 HydrophobicContact CG2-CB 4.17Å; T870-L934 HydrophobicContact CG2-CD1 4Å; P874-L934 HydrophobicContact CG-CD1 3.88Å; P874-L934 HydrophobicContact CG-CD2 4.09Å; V930-L934 PolarHBondContact O-N 2.77Å; L931-L934 HydrophobicContact CD2-CD2 4.08Å; L931-L934 PolarHBondContact O-N 2.76Å; L934-G936 PolarHBondContact O-N 2.76Å; L934-C939 HydrophobicContact CD1-CB 4.32Å; L934-C939 WeakPolarHBondContact O-CB 3.24Å; L934-W942 HydrophobicContact CD1-CE3 4.06Å; L934-L943 HydrophobicContact CD1-CD1 4.48Å; L934-L943 HydrophobicContact CD2-CD1 4.07Å; L934-L943 HydrophobicContact CG-CD1 4.48Å; L934-W948 HydrophobicContact CD2-CH2 4.16Å; L934-W948 HydrophobicContact CD2-CZ3 3.83Å; L934-W948 HydrophobicContact CG-CH2 3.79Å; L934-W948 HydrophobicContact CG-CZ3 3.98Å; L934-W948 WeakPolarHBondContact O-CH2 3.48Å; L934-I951 HydrophobicContact CD2-CD1 3.51Å
935C87.7Confident86.8Confident26 Ų2643.7 Ų43.718%0.17626%0.26CS..THydrogen-bonded Turntrans-77.54.5171.1-61.50000113.2L931 M1046L931-C935 WeakPolarHBondContact O-CB 3.17Å; L931-C935 PolarHBondContact O-N 3.02Å; L931-C935 PolarHBondContact O-SG 3.4Å; L931-C935 VanDerWaalsContact O-SG 3.41Å; C935-M1046 HydrophobicContact CB-CB 4.15Å; C935-M1046 HydrophobicContact CB-CE 4.2Å
936G86.9Confident86.2Confident23 Ų2348.3 Ų48.324%0.23729%0.285CS..SBendtrans-75.4158174.300000112.6Q932 L933 L934 S938 C939 A940Q932-G936 PolarHBondContact O-N 3.03Å; L933-G936 WeakPolarHBondContact O-CA 3.4Å; L933-G936 PolarHBondContact O-N 3.38Å; L934-G936 PolarHBondContact O-N 2.76Å; G936-S938 PolarHBondContact O-N 3.36Å; G936-C939 PolarHBondContact O-N 3.44Å; G936-A940 PolarHBondContact O-N 2.91Å
937S81.8Confident85.7Confident118 Ų11847.9 Ų47.983%0.82528%0.283SS*.THydrogen-bonded Turntrans-61.9-14.8-177.654.40000115.1
938S83.4Confident85.3Confident104 Ų10448.3 Ų48.373%0.72728%0.284SS*.THydrogen-bonded Turntrans-80.1-16.1174.4-540000113.9G936 W942G936-S938 PolarHBondContact O-N 3.36Å; S938-W942 PolarHBondContact O-NE1 3.08Å
939C84.2Confident85Confident11 Ų1149 Ų497%0.07429%0.29CS..THydrogen-bonded Turntrans-127.1-1.4-171.6-62.70000113.3L934 G936 D941 W942L934-C939 HydrophobicContact CD1-CB 4.32Å; L934-C939 WeakPolarHBondContact O-CB 3.24Å; G936-C939 PolarHBondContact O-N 3.44Å; C939-D941 VanDerWaalsContact C-N 3.26Å; C939-D941 PolarHBondContact O-N 3.48Å; C939-W942 HydrophobicContact CB-CD2 3.9Å; C939-W942 HydrophobicContact CB-CE3 4.11Å; C939-W942 HydrophobicContact CB-CG 4.24Å; C939-W942 VanDerWaalsContact O-CB 3.3Å; C939-W942 WeakPolarHBondContact O-CB 3.44Å; C939-W942 PolarHBondContact O-N 2.92Å; C939-W942 VanDerWaalsContact SG-CZ2 3.58Å
940A74.6Confident84.7Confident45 Ų4546.4 Ų46.437%0.37228%0.281SS..THydrogen-bonded Turntrans-56.2-35.9-173.800000114.1G936G936-A940 PolarHBondContact O-N 2.91Å
941D79.8Confident84.5Confident159 Ų15946.4 Ų46.485%0.8528%0.28SS*.THydrogen-bonded Turntrans-90.72.4-178.8-56.2-51000113.7C939 L943C939-D941 VanDerWaalsContact C-N 3.26Å; C939-D941 PolarHBondContact O-N 3.48Å; D941-L943 PolarHBondContact O-N 3.12Å
942W82.8Confident84.5Confident106 Ų10646.3 Ų46.340%0.40228%0.28SS..SBendtrans-72.3-14.3-176.9-71.711.3000114.1T870 Q871 L934 S938 C939T870-W942 HydrophobicContact CG2-CZ3 4.33Å; Q871-W942 HydrophobicContact CG-CH2 4Å; Q871-W942 HydrophobicContact CG-CZ3 4.09Å; L934-W942 HydrophobicContact CD1-CE3 4.06Å; S938-W942 PolarHBondContact O-NE1 3.08Å; C939-W942 HydrophobicContact CB-CD2 3.9Å; C939-W942 HydrophobicContact CB-CE3 4.11Å; C939-W942 HydrophobicContact CB-CG 4.24Å; C939-W942 VanDerWaalsContact O-CB 3.3Å; C939-W942 WeakPolarHBondContact O-CB 3.44Å; C939-W942 PolarHBondContact O-N 2.92Å; C939-W942 VanDerWaalsContact SG-CZ2 3.58Å
943L81.9Confident84.4Confident17 Ų1750.8 Ų50.89%0.08930%0.296CS..  trans-142.6134.9-166.3-71.8175.6000112.9W723 P874 L934 D941 W948 I951W723-L943 HydrophobicContact CB-CD2 4.15Å; W723-L943 HydrophobicContact CD2-CD2 4.35Å; W723-L943 HydrophobicContact CG-CD2 3.69Å; P874-L943 HydrophobicContact CB-CD1 4.25Å; P874-L943 HydrophobicContact CB-CD2 4.11Å; L934-L943 HydrophobicContact CD1-CD1 4.48Å; L934-L943 HydrophobicContact CD2-CD1 4.07Å; L934-L943 HydrophobicContact CG-CD1 4.48Å; D941-L943 PolarHBondContact O-N 3.12Å; L943-W948 HydrophobicContact CB-CD2 4.15Å; L943-W948 HydrophobicContact CB-CG 4.22Å; L943-W948 HydrophobicContact CB-CZ2 4.31Å; L943-W948 HydrophobicContact CD1-CD2 4.05Å; L943-W948 HydrophobicContact CD1-CE3 4.09Å; L943-W948 HydrophobicContact CD1-CH2 4.35Å; L943-W948 HydrophobicContact CD1-CZ2 4.23Å; L943-W948 HydrophobicContact CD1-CZ3 4.26Å; L943-W948 PolarHBondContact O-NE1 2.9Å; L943-W948 VanDerWaalsContact O-NE1 3.15Å; L943-I951 HydrophobicContact CD1-CD1 3.36Å
944S82.1Confident84.5Confident47 Ų4747.1 Ų47.133%0.32928%0.276SS..  trans-70.2169.6169.172.60000112D946 G947 W948S944-D946 PolarHBondContact O-N 2.82Å; S944-D946 VanDerWaalsContact O-N 3.09Å; S944-D946 PolarHBondContact OG-N 3.39Å; S944-G947 PolarHBondContact O-N 3.03Å; S944-G947 VanDerWaalsContact O-N 3.14Å; S944-G947 PolarHBondContact OG-N 3.28Å; S944-W948 PolarHBondContact O-N 2.88Å
945S80.5Confident84.7Confident67 Ų6747 Ų4747%0.46928%0.276SS..Hα-helixtrans-49.4-35.8171.950.90000113.3A949S945-A949 WeakPolarHBondContact O-CB 3.4Å; S945-A949 PolarHBondContact O-N 3.46Å
946D79.5Confident84.9Confident101 Ų10146 Ų4654%0.5427%0.269SS..Hα-helixtrans-83.2-31.4-172-58.21.1000110.4W723 S944 A949 H950W723-D946 HydrophobicContact CZ3-CB 4.09Å; S944-D946 PolarHBondContact O-N 2.82Å; S944-D946 VanDerWaalsContact O-N 3.09Å; S944-D946 PolarHBondContact OG-N 3.39Å; D946-A949 PolarHBondContact O-N 3.34Å; D946-H950 WeakPolarHBondContact O-CB 3.48Å; D946-H950 PolarHBondContact O-N 3.35Å
947G82.8Confident85.2Confident0 Ų047 Ų470%027%0.268CS..Hα-helixtrans-66.8-45.2168.800000112.4W723 S944 A949 H950 I951W723-G947 VanDerWaalsContact CZ2-CA 3.48Å; S944-G947 PolarHBondContact O-N 3.03Å; S944-G947 VanDerWaalsContact O-N 3.14Å; S944-G947 PolarHBondContact OG-N 3.28Å; G947-A949 PolarHBondContact O-N 2.8Å; G947-H950 WeakPolarHBondContact O-CB 3.21Å; G947-H950 PolarHBondContact O-N 3.32Å; G947-H950 VanDerWaalsContact O-N 3.12Å; G947-I951 PolarHBondContact O-N 2.88Å
948W85.4Confident85.8Confident10 Ų1041.5 Ų41.54%0.03823%0.229CC..Hα-helixtrans-60.5-43.2171.9-73.8116.5000112.3L934 L943 S944 H950 I951 C952 M1047 P1048L934-W948 HydrophobicContact CD2-CH2 4.16Å; L934-W948 HydrophobicContact CD2-CZ3 3.83Å; L934-W948 HydrophobicContact CG-CH2 3.79Å; L934-W948 HydrophobicContact CG-CZ3 3.98Å; L934-W948 WeakPolarHBondContact O-CH2 3.48Å; L943-W948 HydrophobicContact CB-CD2 4.15Å; L943-W948 HydrophobicContact CB-CG 4.22Å; L943-W948 HydrophobicContact CB-CZ2 4.31Å; L943-W948 HydrophobicContact CD1-CD2 4.05Å; L943-W948 HydrophobicContact CD1-CE3 4.09Å; L943-W948 HydrophobicContact CD1-CH2 4.35Å; L943-W948 HydrophobicContact CD1-CZ2 4.23Å; L943-W948 HydrophobicContact CD1-CZ3 4.26Å; L943-W948 PolarHBondContact O-NE1 2.9Å; L943-W948 VanDerWaalsContact O-NE1 3.15Å; S944-W948 PolarHBondContact O-N 2.88Å; W948-H950 VanDerWaalsContact C-N 3.28Å; W948-H950 PolarHBondContact O-N 3.47Å; W948-I951 PolarHBondContact O-N 3.43Å; W948-C952 PolarHBondContact O-N 2.95Å; W948-M1047 HydrophobicContact CB-CE 3.75Å; W948-M1047 HydrophobicContact CD2-CE 3.98Å; W948-M1047 HydrophobicContact CE3-CE 3.41Å; W948-M1047 VanDerWaalsContact CE3-CE 3.41Å; W948-M1047 HydrophobicContact CE3-SD 3.58Å; W948-M1047 VanDerWaalsContact CE3-SD 3.58Å; W948-M1047 HydrophobicContact CG-CE 4.17Å; W948-M1047 HydrophobicContact CZ3-CE 4.24Å; W948-M1047 HydrophobicContact CZ3-SD 3.81Å; W948-P1048 HydrophobicContact CD2-CG 3.71Å; W948-P1048 HydrophobicContact CE3-CG 4.3Å; W948-P1048 HydrophobicContact CG-CG 4.08Å; W948-P1048 HydrophobicContact CH2-CG 4.18Å; W948-P1048 HydrophobicContact CZ2-CG 3.63Å; W948-P1048 HydrophobicContact CZ3-CG 4.5Å
949A85.7Confident86.3Confident14 Ų1436.5 Ų36.512%0.11619%0.194CC..Hα-helixtrans-63.3-32.617400000112.8S945 D946 G947 R953 Q1051S945-A949 WeakPolarHBondContact O-CB 3.4Å; S945-A949 PolarHBondContact O-N 3.46Å; D946-A949 PolarHBondContact O-N 3.34Å; G947-A949 PolarHBondContact O-N 2.8Å; A949-R953 WeakPolarHBondContact O-CG 3.35Å; A949-R953 PolarHBondContact O-N 3.47Å; A949-R953 PolarHBondContact O-NH1 2.94Å; A949-Q1051 HydrophobicContact CB-CB 3.97Å; A949-Q1051 HydrophobicContact CB-CG 4.29Å
950H86.4Confident86.7Confident5 Ų540.2 Ų40.22%0.02321%0.206CC..Hα-helixtrans-68.7-46.9174.7-17658.7000112.4W723 C876 D946 G947 W948 C952 R953 L954W723-H950 HydrophobicContact CH2-CB 4.2Å; W723-H950 HydrophobicContact CZ2-CB 4.05Å; C876-H950 PolarHBondContact O-NE2 3.39Å; D946-H950 WeakPolarHBondContact O-CB 3.48Å; D946-H950 PolarHBondContact O-N 3.35Å; G947-H950 WeakPolarHBondContact O-CB 3.21Å; G947-H950 PolarHBondContact O-N 3.32Å; G947-H950 VanDerWaalsContact O-N 3.12Å; W948-H950 VanDerWaalsContact C-N 3.28Å; W948-H950 PolarHBondContact O-N 3.47Å; H950-C952 VanDerWaalsContact C-N 3.31Å; H950-C952 PolarHBondContact O-N 3.49Å; H950-R953 PolarHBondContact ND1-NH2 3.39Å; H950-R953 WeakPolarHBondContact O-CA 3.42Å; H950-R953 WeakPolarHBondContact O-CB 3.46Å; H950-R953 PolarHBondContact O-N 2.96Å; H950-L954 WeakPolarHBondContact NE2-CD1 3.38Å; H950-L954 PolarHBondContact O-N 3.5Å
951I88.6Confident87.6Confident3 Ų340.3 Ų40.32%0.01520%0.2CC..Hα-helixtrans-63.5-37.1176.9-65.1179.3000111.4P874 L931 L934 L943 G947 W948 R953 L954 Y955P874-I951 HydrophobicContact CB-CD1 3.79Å; P874-I951 HydrophobicContact CG-CD1 3.97Å; L931-I951 HydrophobicContact CD2-CG2 3.56Å; L934-I951 HydrophobicContact CD2-CD1 3.51Å; L943-I951 HydrophobicContact CD1-CD1 3.36Å; G947-I951 PolarHBondContact O-N 2.88Å; W948-I951 PolarHBondContact O-N 3.43Å; I951-R953 VanDerWaalsContact C-N 3.27Å; I951-R953 PolarHBondContact O-N 2.95Å; I951-L954 PolarHBondContact O-N 3.1Å; I951-Y955 WeakPolarHBondContact O-CB 3.43Å; I951-Y955 PolarHBondContact O-N 2.98Å
952C89.8Confident88.2Confident2 Ų232.7 Ų32.71%0.01416%0.16CC..Hα-helixtrans-55.7-40169.9-82.40000112.8W948 H950 A956 M1047 Q1051 P1054 L1055W948-C952 PolarHBondContact O-N 2.95Å; H950-C952 VanDerWaalsContact C-N 3.31Å; H950-C952 PolarHBondContact O-N 3.49Å; C952-A956 WeakPolarHBondContact O-CB 3.21Å; C952-A956 PolarHBondContact O-N 2.85Å; C952-M1047 WeakPolarHBondContact SG-CE 3.33Å; C952-Q1051 PolarHBondContact SG-O 2.89Å; C952-P1054 HydrophobicContact CB-CB 4.41Å; C952-P1054 HydrophobicContact CB-CG 4.14Å; C952-L1055 HydrophobicContact CB-CG 4.28Å
953R89.8Confident88.7Confident125 Ų12527.7 Ų27.747%0.47214%0.141SC..Hα-helixtrans-68.7-46175.7-66.9-175.1-59.8-91.47.8111.7A949 H950 I951 A956 H957 P1054A949-R953 WeakPolarHBondContact O-CG 3.35Å; A949-R953 PolarHBondContact O-N 3.47Å; A949-R953 PolarHBondContact O-NH1 2.94Å; H950-R953 PolarHBondContact ND1-NH2 3.39Å; H950-R953 WeakPolarHBondContact O-CA 3.42Å; H950-R953 WeakPolarHBondContact O-CB 3.46Å; H950-R953 PolarHBondContact O-N 2.96Å; I951-R953 VanDerWaalsContact C-N 3.27Å; I951-R953 PolarHBondContact O-N 2.95Å; R953-A956 PolarHBondContact O-N 2.82Å; R953-H957 WeakPolarHBondContact O-CB 3.24Å; R953-H957 PolarHBondContact O-N 3.36Å; R953-P1054 HydrophobicContact CG-CB 4.34Å; R953-P1054 HydrophobicContact CG-CG 3.8Å
954L91.1Very high89.2Confident3 Ų330.3 Ų30.32%0.01616%0.155CC..Hα-helixtrans-66-38.7-179.6-64.2-172.2000113.1C876 V878 W881 H950 I951 H957 A958C876-L954 WeakPolarHBondContact O-CD1 3.49Å; V878-L954 HydrophobicContact CB-CD2 4.29Å; V878-L954 HydrophobicContact CG2-CD2 3.81Å; W881-L954 HydrophobicContact CB-CD1 4.17Å; W881-L954 HydrophobicContact CB-CD2 4.45Å; W881-L954 HydrophobicContact CD2-CB 3.71Å; W881-L954 HydrophobicContact CD2-CD1 3.8Å; W881-L954 HydrophobicContact CD2-CG 4.3Å; W881-L954 HydrophobicContact CE3-CB 3.72Å; W881-L954 HydrophobicContact CE3-CD1 3.28Å; W881-L954 HydrophobicContact CE3-CG 4.13Å; W881-L954 HydrophobicContact CG-CB 4.25Å; W881-L954 HydrophobicContact CG-CD1 4.19Å; W881-L954 HydrophobicContact CH2-CB 4.06Å; W881-L954 HydrophobicContact CZ2-CB 4.07Å; W881-L954 HydrophobicContact CZ3-CB 3.85Å; W881-L954 HydrophobicContact CZ3-CD1 3.83Å; H950-L954 WeakPolarHBondContact NE2-CD1 3.38Å; H950-L954 PolarHBondContact O-N 3.5Å; I951-L954 PolarHBondContact O-N 3.1Å; L954-H957 WeakPolarHBondContact O-CB 3.47Å; L954-H957 PolarHBondContact O-N 3.41Å; L954-A958 WeakPolarHBondContact O-CB 3.47Å; L954-A958 PolarHBondContact O-N 3.11Å
955Y93.3Very high89.5Confident2 Ų229.8 Ų29.81%0.00815%0.151CC..Hα-helixtrans-72.4-39.7175.7-177.1-115.6000112.3L927 L931 I951 H957 A958 V959 I1040 I1043 L1055L927-Y955 HydrophobicContact CB-CD2 4.18Å; L927-Y955 HydrophobicContact CB-CE2 3.73Å; L927-Y955 HydrophobicContact CD1-CD2 4.31Å; L927-Y955 HydrophobicContact CD1-CE2 4.16Å; L931-Y955 HydrophobicContact CD1-CD1 3.95Å; L931-Y955 HydrophobicContact CD1-CD2 3.64Å; L931-Y955 HydrophobicContact CD1-CE1 4.37Å; L931-Y955 HydrophobicContact CD1-CE2 4.09Å; L931-Y955 HydrophobicContact CD1-CG 3.58Å; I951-Y955 WeakPolarHBondContact O-CB 3.43Å; I951-Y955 PolarHBondContact O-N 2.98Å; Y955-H957 VanDerWaalsContact C-N 3.28Å; Y955-H957 PolarHBondContact O-N 3.4Å; Y955-A958 PolarHBondContact O-N 3.45Å; Y955-V959 HydrophobicContact CD1-CG2 4.45Å; Y955-V959 HydrophobicContact CD2-CG2 4.22Å; Y955-V959 HydrophobicContact CE1-CG2 3.94Å; Y955-V959 HydrophobicContact CE2-CG2 3.67Å; Y955-V959 WeakPolarHBondContact O-CG2 3.42Å; Y955-V959 PolarHBondContact O-N 3.41Å; Y955-I1040 HydrophobicContact CE1-CG1 3.92Å; Y955-I1043 HydrophobicContact CD1-CD1 3.92Å; Y955-I1043 HydrophobicContact CE1-CD1 3.23Å; Y955-I1043 HydrophobicContact CE1-CG1 4.48Å; Y955-I1043 HydrophobicContact CE2-CD1 4.21Å; Y955-I1043 VanDerWaalsContact CZ-CD1 3.42Å; Y955-L1055 HydrophobicContact CD1-CD2 3.78Å
956A93.1Very high90Very high4 Ų426.6 Ų26.63%0.03313%0.129CC..Hα-helixtrans-59.9-39.1171.800000112.1C952 R953 R960 P1054 L1055 C1058C952-A956 WeakPolarHBondContact O-CB 3.21Å; C952-A956 PolarHBondContact O-N 2.85Å; R953-A956 PolarHBondContact O-N 2.82Å; A956-R960 WeakPolarHBondContact O-CB 3.29Å; A956-R960 PolarHBondContact O-N 2.86Å; A956-P1054 HydrophobicContact CB-CB 3.94Å; A956-L1055 HydrophobicContact CB-CD2 4.35Å; A956-C1058 HydrophobicContact CB-CB 4.14Å
957H92.5Very high90.3Very high45 Ų4524.6 Ų24.621%0.20812%0.115CC..Hα-helixtrans-61.8-51.6172.7-172.859000111.6E882 R953 L954 Y955 V959 R960 D961E882-H957 IonicContact OE1-CD2 2.76Å; E882-H957 IonicContact OE1-CE1 3.55Å; E882-H957 IonicContact OE1-NE2 3.62Å; E882-H957 PolarHBondContact OE1-NE2 2.83Å; R953-H957 WeakPolarHBondContact O-CB 3.24Å; R953-H957 PolarHBondContact O-N 3.36Å; L954-H957 WeakPolarHBondContact O-CB 3.47Å; L954-H957 PolarHBondContact O-N 3.41Å; Y955-H957 VanDerWaalsContact C-N 3.28Å; Y955-H957 PolarHBondContact O-N 3.4Å; H957-V959 VanDerWaalsContact C-N 3.3Å; H957-V959 PolarHBondContact O-N 3Å; H957-R960 WeakPolarHBondContact O-CB 3.39Å; H957-R960 PolarHBondContact O-N 3.07Å; H957-D961 IonicContact CD2-OD2 3.8Å; H957-D961 IonicContact CE1-OD2 3.94Å; H957-D961 IonicContact NE2-OD2 2.69Å; H957-D961 PolarHBondContact O-N 2.7Å
958A94.1Very high90.6Very high1 Ų128.7 Ų28.71%0.00815%0.149CC..Hα-helixtrans-56.1-40.2177.300000113.5L885 L927 L954 Y955 M962L885-A958 HydrophobicContact CD1-CB 3.73Å; L885-A958 HydrophobicContact CD2-CB 4.37Å; L927-A958 HydrophobicContact CD1-CB 4.06Å; L954-A958 WeakPolarHBondContact O-CB 3.47Å; L954-A958 PolarHBondContact O-N 3.11Å; Y955-A958 PolarHBondContact O-N 3.45Å; A958-M962 WeakPolarHBondContact O-CG 3.23Å; A958-M962 PolarHBondContact O-N 3.17Å
959V94Very high90.6Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-74.1-34.6176.6-177.70000111.8Y955 H957 D961 M962 M963 L1036 I1040 I1062Y955-V959 HydrophobicContact CD1-CG2 4.45Å; Y955-V959 HydrophobicContact CD2-CG2 4.22Å; Y955-V959 HydrophobicContact CE1-CG2 3.94Å; Y955-V959 HydrophobicContact CE2-CG2 3.67Å; Y955-V959 WeakPolarHBondContact O-CG2 3.42Å; Y955-V959 PolarHBondContact O-N 3.41Å; H957-V959 VanDerWaalsContact C-N 3.3Å; H957-V959 PolarHBondContact O-N 3Å; V959-D961 VanDerWaalsContact C-N 3.32Å; V959-D961 PolarHBondContact O-N 2.88Å; V959-M962 HydrophobicContact CB-CE 4.3Å; V959-M962 HydrophobicContact CG2-CE 3.8Å; V959-M962 PolarHBondContact O-N 3.07Å; V959-M963 WeakPolarHBondContact O-CB 3.19Å; V959-M963 PolarHBondContact O-N 3.33Å; V959-L1036 HydrophobicContact CG1-CB 4.09Å; V959-L1036 HydrophobicContact CG1-CD1 4.17Å; V959-L1036 HydrophobicContact CG1-CD2 4.15Å; V959-L1036 HydrophobicContact CG1-CG 4.36Å; V959-I1040 HydrophobicContact CB-CD1 3.98Å; V959-I1040 HydrophobicContact CB-CG1 4.49Å; V959-I1040 HydrophobicContact CG1-CD1 3.75Å; V959-I1040 HydrophobicContact CG1-CG1 4.27Å; V959-I1040 HydrophobicContact CG2-CD1 4.12Å; V959-I1040 HydrophobicContact CG2-CG1 4.1Å; V959-I1062 HydrophobicContact CG1-CD1 3.91Å
960R94.1Very high90.5Very high89 Ų8932 Ų3234%0.33616%0.162SC..Hα-helixtrans-61.6-40.8171.7-169-177.5-69.8130.1-6111.5A956 H957 M963 N964 E1061A956-R960 WeakPolarHBondContact O-CB 3.29Å; A956-R960 PolarHBondContact O-N 2.86Å; H957-R960 WeakPolarHBondContact O-CB 3.39Å; H957-R960 PolarHBondContact O-N 3.07Å; R960-M963 HydrophobicContact CB-CE 4.38Å; R960-M963 HydrophobicContact CG-CE 4.01Å; R960-M963 PolarHBondContact O-N 3.21Å; R960-N964 WeakPolarHBondContact O-CB 3.22Å; R960-N964 PolarHBondContact O-N 2.76Å; R960-N964 PolarHBondContact O-ND2 2.95Å; R960-E1061 IonicContact CZ-OE1 3.44Å; R960-E1061 IonicContact CZ-OE2 3.35Å; R960-E1061 IonicContact NE-OE1 2.7Å; R960-E1061 PolarHBondContact NE-OE1 3.31Å; R960-E1061 IonicContact NE-OE2 2.72Å; R960-E1061 PolarHBondContact NE-OE2 3.04Å; R960-E1061 IonicContact NH2-OE1 2.68Å; R960-E1061 PolarHBondContact NH2-OE1 3.29Å; R960-E1061 IonicContact NH2-OE2 3.64Å
961D92.6Very high89.9Confident46 Ų4635.1 Ų35.125%0.24618%0.183CC..Hα-helixtrans-65.7-44.2175-73.1-17.7000112.5H957 V959 N964 C965H957-D961 IonicContact CD2-OD2 3.8Å; H957-D961 IonicContact CE1-OD2 3.94Å; H957-D961 IonicContact NE2-OD2 2.69Å; H957-D961 PolarHBondContact O-N 2.7Å; V959-D961 VanDerWaalsContact C-N 3.32Å; V959-D961 PolarHBondContact O-N 2.88Å; D961-N964 PolarHBondContact O-N 2.8Å; D961-C965 PolarHBondContact O-N 3.07Å; D961-C965 PolarHBondContact O-SG 3.07Å
962M93.1Very high88.1Confident0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-60.5-46.2173-73-174.3-67.800111.1E920 L923 L927 A958 V959 N964 C965 V966 L1036E920-M962 HydrophobicContact CB-CB 4.4Å; E920-M962 HydrophobicContact CB-CG 4.42Å; E920-M962 HydrophobicContact CG-CB 4.37Å; E920-M962 HydrophobicContact CG-CG 4.41Å; L923-M962 HydrophobicContact CB-SD 3.89Å; L923-M962 HydrophobicContact CD2-CG 4.13Å; L923-M962 HydrophobicContact CD2-SD 3.84Å; L923-M962 HydrophobicContact CG-SD 3.8Å; L927-M962 HydrophobicContact CD1-CE 4.18Å; A958-M962 WeakPolarHBondContact O-CG 3.23Å; A958-M962 PolarHBondContact O-N 3.17Å; V959-M962 HydrophobicContact CB-CE 4.3Å; V959-M962 HydrophobicContact CG2-CE 3.8Å; V959-M962 PolarHBondContact O-N 3.07Å; M962-N964 VanDerWaalsContact C-N 3.29Å; M962-N964 PolarHBondContact O-N 3.18Å; M962-C965 WeakPolarHBondContact O-CB 3.48Å; M962-C965 PolarHBondContact O-N 3.42Å; M962-C965 VanDerWaalsContact O-N 3.12Å; M962-V966 VanDerWaalsContact O-CG2 3.24Å; M962-V966 WeakPolarHBondContact O-CG2 3.17Å; M962-V966 PolarHBondContact O-N 3.05Å; M962-L1036 HydrophobicContact CE-CD2 4.18Å
963M92.4Very high86Confident0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-60-36.1176.2174.1178.751.900112.3V959 R960 V966 K967 L1033 L1036 E1061 I1062 H1065V959-M963 WeakPolarHBondContact O-CB 3.19Å; V959-M963 PolarHBondContact O-N 3.33Å; R960-M963 HydrophobicContact CB-CE 4.38Å; R960-M963 HydrophobicContact CG-CE 4.01Å; R960-M963 PolarHBondContact O-N 3.21Å; M963-V966 PolarHBondContact O-N 3.03Å; M963-K967 VanDerWaalsContact CG-CE 3.43Å; M963-K967 VanDerWaalsContact O-CE 3.28Å; M963-K967 WeakPolarHBondContact O-CE 3.47Å; M963-K967 PolarHBondContact O-N 3.07Å; M963-L1033 HydrophobicContact CG-CD2 4.03Å; M963-L1033 HydrophobicContact SD-CD2 4.49Å; M963-L1036 HydrophobicContact CB-CD1 4.26Å; M963-E1061 HydrophobicContact CE-CB 4.02Å; M963-I1062 HydrophobicContact SD-CG1 3.88Å; M963-H1065 HydrophobicContact SD-CB 4.23Å; M963-H1065 PolarHBondContact SD-ND1 3.24Å; M963-H1065 VanDerWaalsContact SD-ND1 3.36Å
964N91.6Very high83.3Confident72 Ų7249.5 Ų49.539%0.38527%0.272SS..Hα-helixtrans-71.6-38.5173.8-71.2-22.6000112.2R960 D961 M962 V966 K967 A968R960-N964 WeakPolarHBondContact O-CB 3.22Å; R960-N964 PolarHBondContact O-N 2.76Å; R960-N964 PolarHBondContact O-ND2 2.95Å; D961-N964 PolarHBondContact O-N 2.8Å; M962-N964 VanDerWaalsContact C-N 3.29Å; M962-N964 PolarHBondContact O-N 3.18Å; N964-V966 VanDerWaalsContact C-N 3.29Å; N964-V966 PolarHBondContact O-N 3.24Å; N964-K967 PolarHBondContact O-N 3.26Å; N964-K967 PolarHBondContact OD1-NZ 3.19Å; N964-A968 PolarHBondContact O-N 3.26Å
965C90.1Very high80.3Confident36 Ų3654 Ų5424%0.24330%0.304CS..Hα-helixtrans-62.6-35.9172-63.10000112.2R889 E920 D961 M962 K969R889-C965 PolarHBondContact NH1-SG 3.32Å; R889-C965 PolarHBondContact NH2-SG 3.43Å; E920-C965 HydrophobicContact CG-CB 4.06Å; D961-C965 PolarHBondContact O-N 3.07Å; D961-C965 PolarHBondContact O-SG 3.07Å; M962-C965 WeakPolarHBondContact O-CB 3.48Å; M962-C965 PolarHBondContact O-N 3.42Å; M962-C965 VanDerWaalsContact O-N 3.12Å; C965-K969 WeakPolarHBondContact O-CE 3.35Å; C965-K969 WeakPolarHBondContact O-CG 3.28Å
966V89.8Confident77.6Confident0 Ų059.7 Ų59.70%035%0.345CS..Hα-helixtrans-67.5-47.3175.4171.60000110.7F917 E920 M962 M963 N964 A968 K969 V1029 V1032F917-V966 HydrophobicContact CD1-CG1 4.29Å; F917-V966 HydrophobicContact CD1-CG2 4.17Å; F917-V966 HydrophobicContact CE1-CG1 4.06Å; E920-V966 HydrophobicContact CB-CG2 4.27Å; E920-V966 HydrophobicContact CG-CG2 4.22Å; M962-V966 VanDerWaalsContact O-CG2 3.24Å; M962-V966 WeakPolarHBondContact O-CG2 3.17Å; M962-V966 PolarHBondContact O-N 3.05Å; M963-V966 PolarHBondContact O-N 3.03Å; N964-V966 VanDerWaalsContact C-N 3.29Å; N964-V966 PolarHBondContact O-N 3.24Å; V966-A968 VanDerWaalsContact C-N 3.32Å; V966-A968 PolarHBondContact O-N 3.26Å; V966-K969 PolarHBondContact O-N 3.05Å; V966-V1029 HydrophobicContact CG1-CB 4.18Å; V966-V1029 HydrophobicContact CG1-CG1 3.78Å; V966-V1029 HydrophobicContact CG1-CG2 3.82Å; V966-V1032 HydrophobicContact CG1-CG1 4.33Å; V966-V1032 HydrophobicContact CG2-CG1 3.6Å
967K86.6Confident74.6Confident60 Ų6067.3 Ų67.326%0.26138%0.384SS..Hα-helixtrans-57.7-40.8174.9-80.3173-114.21700113M963 N964 K969 L970 H1065M963-K967 VanDerWaalsContact CG-CE 3.43Å; M963-K967 VanDerWaalsContact O-CE 3.28Å; M963-K967 WeakPolarHBondContact O-CE 3.47Å; M963-K967 PolarHBondContact O-N 3.07Å; N964-K967 PolarHBondContact O-N 3.26Å; N964-K967 PolarHBondContact OD1-NZ 3.19Å; K967-K969 PolarHBondContact O-N 2.94Å; K967-K969 VanDerWaalsContact O-N 3.07Å; K967-L970 PolarHBondContact O-N 3.32Å; K967-H1065 WeakPolarHBondContact CE-CD2 3.4Å; K967-H1065 PolarHBondContact NZ-CD2 3.38Å; K967-H1065 VanDerWaalsContact NZ-CD2 3.32Å; K967-H1065 PolarHBondContact NZ-CE1 2.88Å; K967-H1065 VanDerWaalsContact NZ-CE1 3.31Å; K967-H1065 PolarHBondContact NZ-NE2 3.5Å
968A87.7Confident71.4Confident86 Ų8673.8 Ų73.871%0.71141%0.414SS*.THydrogen-bonded Turntrans-64.9-9.7-17900000114.4N964 V966N964-A968 PolarHBondContact O-N 3.26Å; V966-A968 VanDerWaalsContact C-N 3.32Å; V966-A968 PolarHBondContact O-N 3.26Å
969K86.6Confident68.1Low64 Ų6479.5 Ų79.528%0.27845%0.452SS..THydrogen-bonded Turntrans-97.2-2.6176.5-61.8170.4-168.6-177.80113.2Q916 F917 E920 C965 V966 K967Q916-K969 PolarHBondContact O-NZ 3.3Å; F917-K969 HydrophobicContact CD1-CD 3.9Å; F917-K969 HydrophobicContact CE1-CB 3.87Å; F917-K969 HydrophobicContact CE1-CD 3.63Å; F917-K969 HydrophobicContact CE1-CG 4.36Å; F917-K969 HydrophobicContact CZ-CB 4.01Å; F917-K969 HydrophobicContact CZ-CD 4.25Å; E920-K969 IonicContact OE1-NZ 3.75Å; E920-K969 PolarHBondContact OE1-NZ 3.31Å; E920-K969 IonicContact OE2-NZ 2.73Å; E920-K969 PolarHBondContact OE2-NZ 2.9Å; C965-K969 WeakPolarHBondContact O-CE 3.35Å; C965-K969 WeakPolarHBondContact O-CG 3.28Å; V966-K969 PolarHBondContact O-N 3.05Å; K967-K969 PolarHBondContact O-N 2.94Å; K967-K969 VanDerWaalsContact O-N 3.07Å
970L84.2Confident64.9Low28 Ų2884.9 Ų84.915%0.14749%0.488CS..SBendtrans-82.9142.9168.4-72170.5000110.7K967 L972 V1029 V1069 F1073K967-L970 PolarHBondContact O-N 3.32Å; L970-L972 PolarHBondContact O-N 2.84Å; L970-V1029 HydrophobicContact CD1-CG1 4.21Å; L970-V1029 HydrophobicContact CD1-CG2 4.45Å; L970-V1029 HydrophobicContact CD2-CB 4.4Å; L970-V1029 HydrophobicContact CD2-CG2 3.9Å; L970-V1029 HydrophobicContact CG-CG2 3.99Å; L970-V1069 HydrophobicContact CD1-CG2 3.83Å; L970-F1073 HydrophobicContact CD1-CE2 4.21Å; L970-F1073 HydrophobicContact CD2-CE2 4.06Å; L970-F1073 HydrophobicContact CD2-CZ 4.36Å
971P72Confident61.6Low72 Ų7290.3 Ų90.347%0.46851%0.514SS..PPolyproline II helixtrans-66.1129.8172.527.6-33.2000110.7H973 A1024 F1073P971-H973 PolarHBondContact O-N 3.36Å; P971-A1024 HydrophobicContact CG-CB 3.74Å; P971-F1073 HydrophobicContact CG-CE1 4.47Å; P971-F1073 HydrophobicContact CG-CZ 4.42Å
972L52.7Low58.4Low172 Ų17292.3 Ų92.390%0.90154%0.537SS*.PPolyproline II helixtrans-69.1117174.8-71.5169.9000110.2L970 S974L970-L972 PolarHBondContact O-N 2.84Å; L972-S974 PolarHBondContact O-N 2.75Å
973H44Very low55.4Low143 Ų14398 Ų9866%0.66257%0.574SS**PPolyproline II helixtrans-64.6119.1173.6-115.1-74000110.5P971 S975P971-H973 PolarHBondContact O-N 3.36Å; H973-S975 PolarHBondContact O-N 2.69Å
974S33.9Very low52.2Low116 Ų116105.7 Ų105.781%0.81162%0.615SS**  trans-76.966.917562.10000111.3L972 S976L972-S974 PolarHBondContact O-N 2.75Å; S974-S976 PolarHBondContact O-N 2.76Å
975S28.6Very low49Very low98 Ų98107.9 Ų107.969%0.68564%0.636SS**  trans-70.4111.3173.658.80000110.1H973 L977H973-S975 PolarHBondContact O-N 2.69Å; S975-L977 PolarHBondContact O-N 3.04Å
976S36.1Very low46Very low122 Ų122113.7 Ų113.785%0.85366%0.663SS**  trans-63.2113.1-179.4540000112.4S974S974-S976 PolarHBondContact O-N 2.76Å
977L29.6Very low43Very low163 Ų163120.1 Ų120.185%0.85369%0.694SS**  trans-137.8152.5163.6-97.9166.3000109.5S975S975-L977 PolarHBondContact O-N 3.04Å
978E26.7Very low40.1Very low182 Ų182124.5 Ų124.585%0.8572%0.719SS**PPolyproline II helixtrans-73.6138-161.5-59.5176.6121.900113.1P980E978-P980 VanDerWaalsContact O-CD 3.29Å; E978-P980 WeakPolarHBondContact O-CD 3.46Å
979C23.1Very low37.1Very low120 Ų120126.2 Ų126.281%0.81172%0.716SS**PPolyproline II helixtrans-78.3116.7170.4-173.40000109.9
980P27.5Very low34.7Very low114 Ų114128.6 Ų128.674%0.7474%0.738SS**PPolyproline II helixtrans-65.7142.6169.4-15.531.8000109.4E978 A982E978-P980 VanDerWaalsContact O-CD 3.29Å; E978-P980 WeakPolarHBondContact O-CD 3.46Å; P980-A982 PolarHBondContact O-N 3.35Å
981K25Very low31.8Very low202 Ų202132.4 Ų132.488%0.87877%0.767SS**PPolyproline II helixtrans-68.1127.5-179.5-65.1175.7179.7177.30110.7
982A24.9Very low29.6Very low89 Ų89135.2 Ų135.274%0.73678%0.783SS**PPolyproline II helixtrans-68.2138.9158.300000109.5P980P980-A982 PolarHBondContact O-N 3.35Å
983P29.4Very low28.3Very low119 Ų119136.1 Ų136.177%0.77378%0.78SS**PPolyproline II helixtrans-78.8153.4169.233.3-33.8000111.3
984D25.5Very low27.6Very low161 Ų161135.5 Ų135.586%0.86179%0.788SS**PPolyproline II helixtrans-67.4147.9-172.1-54.1-86.6000114.7
985S25.7Very low27.1Very low119 Ų119135 Ų13583%0.83279%0.791SS**  trans-143.9102.6152.833.10000111.1
986L26.9Very low27Very low157 Ų157139.8 Ų139.882%0.82280%0.799SS**  trans-75.3155.1159.2-69.5153.8000108.7
987E26.5Very low26.5Very low135 Ų135145.5 Ų145.563%0.63180%0.802SS**  cis-131.1-135.9-4.1-149-160-70.700109.2N989E987-N989 PolarHBondContact OE2-ND2 3.19Å
988L25.7Very low26.3Very low153 Ų153143.9 Ų143.980%0.80179%0.794SS**  cis-144.3179.110.4-135.2175.9000110.4
989N23.6Very low26.2Very low122 Ų122144.4 Ų144.465%0.65280%0.797SS**  trans-95.5179.5-177.8-89.7-81.6000111.5E987E987-N989 PolarHBondContact OE2-ND2 3.19Å
990P36.2Very low26.3Very low113 Ų113145.9 Ų145.973%0.73480%0.796SS**  cis-148.1154.320.641.2-20.4000120.5
991S23.9Very low27.3Very low109 Ų109145.9 Ų145.976%0.76280%0.796SS**  trans61.5160.2145.1-129.90000119
992V25.8Very low27.5Very low131 Ų131142.1 Ų142.179%0.79479%0.79SS**  cis-140.3160.317.9-174.90000110.6
993K26.5Very low27.7Very low191 Ų191145.2 Ų145.283%0.8379%0.789SS**  trans-84.9157.6175.5-54.4173.5-178.2175.60113.8
994P27.7Very low27.6Very low130 Ų130147.3 Ų147.384%0.84479%0.788SS**  trans-108.2169.6143.435.6-29.1000112.4
995A23.6Very low27.8Very low104 Ų104143.3 Ų143.386%0.8678%0.777SS**  trans-133.5159.3-175.900000112.9
996K28.2Very low28Very low200 Ų200145.6 Ų145.687%0.8778%0.775SS**  trans-83.7146.7176.5-66-175.3174-1710112.8
997R24.9Very low28.1Very low241 Ų241144.8 Ų144.891%0.90977%0.772SS**  -165.7165.6129.9-114.4175.7-178.41711.7112.9
998D24.3Very low28Very low129 Ų129143 Ų14369%0.6977%0.774SS**  trans-105.4160.4-157.7-35.8-98.2000113.4
999H26.3Very low28.8Very low194 Ų194141.6 Ų141.690%0.89877%0.774SS**  -176.6143.4126-98.3-67.1000113.3
1000N23.3Very low29Very low150 Ų150143.6 Ų143.680%0.80278%0.78SS**  trans-94.4-167.9174.4-64.7-11.1000110.5
1001P50.3Low28.7Very low114 Ų114145.8 Ų145.874%0.7478%0.78SS**  cis-139.8-155.2-0.135.6-10.5000115.6
1002V28.9Very low28.9Very low123 Ų123144.9 Ų144.975%0.74577%0.773SS**  trans94.6134.7162.8-176.70000116.5
1003E27.9Very low29Very low155 Ų155147.2 Ų147.272%0.72478%0.776SS**  cis-173.5174.9-35.9-122.4171.2-172.400109.5
1004H28.8Very low29.2Very low163 Ų163146.7 Ų146.776%0.75578%0.782SS**  trans78.6122.6-178.2-50.8-68.7000116
1005A29.6Very low29.4Very low76 Ų76144.8 Ų144.863%0.62878%0.777SS**  cis82.3149.226.500000115
1006E30.1Very low29.8Very low167 Ų167149 Ų14978%0.7878%0.778SS**  cis-89.9-144.9-6.5-72.370.7-12700111.2
1007D27.3Very low29.9Very low141 Ų141148.2 Ų148.275%0.75478%0.78SS**  cis-161171.95.4177.953.1000111.9
1008S26.1Very low30.2Very low96 Ų96145.6 Ų145.667%0.67178%0.775SS**  trans78.1142.5165.1-750000118.6
1009P40.7Very low30.5Very low125 Ų125147.5 Ų147.581%0.81279%0.786SS**  trans-127165.2-134.539.8-25000118.7
1010Q28.4Very low30.8Very low164 Ų164146.3 Ų146.377%0.76678%0.78SS**  trans-57.2163.2159.9-66.5160.1-10300111.7
1011E29.6Very low31.5Very low158 Ų158145 Ų14574%0.73878%0.781SS**  cis-159.1-169.57.7-132.8168.4-96.900108.2
1012S28.4Very low31.3Very low90 Ų90144.4 Ų144.463%0.62979%0.785SS**  cis-164.4-171.47.540.40000110.4
1013E28.6Very low32.8Very low181 Ų181143 Ų14385%0.84679%0.786SS**  trans84.154.8161.3-54.2-160.6148.700119.6A1015E1013-A1015 PolarHBondContact O-N 3.44Å
1014D30.4Very low34.8Very low180 Ų180137 Ų13796%0.96376%0.763SS**  trans-70.1111.3147.9-92-49.8000110.3
1015A31.1Very low37.4Very low89 Ų89130.1 Ų130.174%0.73673%0.733SS**  trans-130.6104.518000000112.2E1013E1013-A1015 PolarHBondContact O-N 3.44Å
1016H32.7Very low40Very low192 Ų192127 Ų12789%0.88971%0.706SS**  trans28.590164.9-87.9-28.5000117.7
1017M30.5Very low42.6Very low185 Ų185123 Ų12391%0.91169%0.687SS**  trans-100.2156.8131-86.6-67.5-16300109.4
1018K30Very low45.5Very low185 Ų185117.4 Ų117.480%0.80466%0.657SS**  trans-89.6137.4177.7-61.1167.8-175.81690108.5E1020K1018-E1020 PolarHBondContact O-N 3.39Å
1019D32.3Very low48.5Very low170 Ų170112.9 Ų112.991%0.90963%0.625SS**  trans-65.8103.7155.2-69.9-48000107.9
1020E30.9Very low50.8Low168 Ų168107.3 Ų107.379%0.78559%0.589SS**  trans-66.5141157-67-171.4134.100107.9K1018 A1022K1018-E1020 PolarHBondContact O-N 3.39Å; E1020-A1022 PolarHBondContact O-N 3.31Å
1021P38.3Very low53.6Low124 Ų124101.4 Ų101.481%0.80556%0.561SS**  trans-62114175.226.7-33000108.1A1023P1021-A1023 PolarHBondContact O-N 3.45Å
1022A46.3Very low56.4Low101 Ų10193.9 Ų93.984%0.83553%0.525SS*.  trans-53.1114.9-178.800000109.6E1020E1020-A1022 PolarHBondContact O-N 3.31Å
1023A61.3Low59.4Low92 Ų9289.8 Ų89.876%0.7650%0.496SS*.  trans-57.7143.8-178.900000109.9P1021P1021-A1023 PolarHBondContact O-N 3.45Å
1024A69.7Low62.4Low30 Ų3081.8 Ų81.825%0.24846%0.46CS..  trans-58.3135.1171.800000108.6P971 S1026 F1073P971-A1024 HydrophobicContact CG-CB 3.74Å; A1024-S1026 PolarHBondContact O-N 3.24Å; A1024-S1026 PolarHBondContact O-OG 2.85Å; A1024-F1073 HydrophobicContact CB-CD1 4.09Å; A1024-F1073 HydrophobicContact CB-CE1 3.75Å; A1024-F1073 HydrophobicContact CB-CZ 4.39Å
1025P82.7Confident65.2Low19 Ų1975 Ų7512%0.12342%0.423CS..THydrogen-bonded Turntrans-77.645.1-17733.2-37.1000111.7F917 E1028 V1029F917-P1025 HydrophobicContact CE2-CB 4.02Å; F917-P1025 HydrophobicContact CZ-CB 4.14Å; F917-P1025 HydrophobicContact CZ-CG 4.21Å; P1025-E1028 VanDerWaalsContact CA-OE2 3.29Å; P1025-E1028 WeakPolarHBondContact CA-OE2 3.36Å; P1025-E1028 HydrophobicContact CB-CB 4.3Å; P1025-V1029 WeakPolarHBondContact O-CB 3.31Å; P1025-V1029 VanDerWaalsContact O-CG2 3.22Å; P1025-V1029 WeakPolarHBondContact O-CG2 3.44Å; P1025-V1029 PolarHBondContact O-N 3.28Å
1026S84.5Confident68.1Low9 Ų970.9 Ų70.96%0.06339%0.388CS..Hα-helixtrans-70.7-34.1-176.449.90000111.8A1024 V1029 L1030 S1076A1024-S1026 PolarHBondContact O-N 3.24Å; A1024-S1026 PolarHBondContact O-OG 2.85Å; S1026-V1029 PolarHBondContact O-N 2.85Å; S1026-L1030 WeakPolarHBondContact O-CB 3.33Å; S1026-L1030 VanDerWaalsContact O-CG 3.22Å; S1026-L1030 WeakPolarHBondContact O-CG 3.18Å; S1026-L1030 PolarHBondContact O-N 3.47Å; S1026-S1076 WeakPolarHBondContact CB-OG 3.4Å; S1026-S1076 WeakPolarHBondContact OG-CB 3.46Å; S1026-S1076 PolarHBondContact OG-OG 3.03Å
1027Q85.3Confident71Confident83 Ų8361.7 Ų61.739%0.38835%0.346SS..Hα-helixtrans-64.5-47172.5-76.4-175.4-16.800111.8L912 V1029 L1030 F1031 S1076L912-Q1027 HydrophobicContact CD1-CB 4.25Å; L912-Q1027 HydrophobicContact CD2-CB 3.68Å; Q1027-V1029 VanDerWaalsContact C-N 3.31Å; Q1027-V1029 PolarHBondContact O-N 3.25Å; Q1027-L1030 PolarHBondContact O-N 3.31Å; Q1027-F1031 WeakPolarHBondContact O-CB 3.45Å; Q1027-F1031 PolarHBondContact O-N 2.92Å; Q1027-S1076 WeakPolarHBondContact CG-O 3.48Å; Q1027-S1076 PolarHBondContact NE2-O 3.18Å
1028E87.9Confident73.8Confident25 Ų2553.7 Ų53.712%0.11731%0.308CS..Hα-helixtrans-57.9-44.3172.9-69.768.1-160.800111.1L912 D913 L914 F917 P1025 F1031 V1032L912-E1028 HydrophobicContact CB-CG 4.14Å; D913-E1028 PolarHBondContact N-OE1 3.49Å; L914-E1028 HydrophobicContact CD2-CB 4.28Å; L914-E1028 HydrophobicContact CD2-CG 4.17Å; F917-E1028 HydrophobicContact CD2-CB 3.69Å; F917-E1028 HydrophobicContact CD2-CG 4.28Å; F917-E1028 HydrophobicContact CE2-CB 3.4Å; F917-E1028 VanDerWaalsContact CE2-CB 3.4Å; F917-E1028 HydrophobicContact CE2-CG 4.09Å; F917-E1028 HydrophobicContact CZ-CB 4.26Å; P1025-E1028 VanDerWaalsContact CA-OE2 3.29Å; P1025-E1028 WeakPolarHBondContact CA-OE2 3.36Å; P1025-E1028 HydrophobicContact CB-CB 4.3Å; E1028-F1031 PolarHBondContact O-N 3.16Å; E1028-V1032 WeakPolarHBondContact O-CB 3.47Å; E1028-V1032 WeakPolarHBondContact O-CG2 3.46Å; E1028-V1032 PolarHBondContact O-N 3.15Å
1029V88.5Confident76.8Confident1 Ų145.1 Ų45.11%0.00627%0.271CS..Hα-helixtrans-64.2-45.7178.3166.50000112F917 V966 L970 P1025 S1026 Q1027 F1031 V1032 L1033 V1069F917-V1029 HydrophobicContact CE1-CG2 3.71Å; F917-V1029 HydrophobicContact CZ-CG2 3.6Å; V966-V1029 HydrophobicContact CG1-CB 4.18Å; V966-V1029 HydrophobicContact CG1-CG1 3.78Å; V966-V1029 HydrophobicContact CG1-CG2 3.82Å; L970-V1029 HydrophobicContact CD1-CG1 4.21Å; L970-V1029 HydrophobicContact CD1-CG2 4.45Å; L970-V1029 HydrophobicContact CD2-CB 4.4Å; L970-V1029 HydrophobicContact CD2-CG2 3.9Å; L970-V1029 HydrophobicContact CG-CG2 3.99Å; P1025-V1029 WeakPolarHBondContact O-CB 3.31Å; P1025-V1029 VanDerWaalsContact O-CG2 3.22Å; P1025-V1029 WeakPolarHBondContact O-CG2 3.44Å; P1025-V1029 PolarHBondContact O-N 3.28Å; S1026-V1029 PolarHBondContact O-N 2.85Å; Q1027-V1029 VanDerWaalsContact C-N 3.31Å; Q1027-V1029 PolarHBondContact O-N 3.25Å; V1029-F1031 VanDerWaalsContact C-N 3.32Å; V1029-F1031 PolarHBondContact O-N 3.3Å; V1029-V1032 PolarHBondContact O-N 2.92Å; V1029-L1033 HydrophobicContact CG1-CD1 3.86Å; V1029-L1033 HydrophobicContact CG1-CG 4.3Å; V1029-L1033 WeakPolarHBondContact O-CB 3.39Å; V1029-L1033 VanDerWaalsContact O-CG 3.28Å; V1029-L1033 WeakPolarHBondContact O-CG 3.42Å; V1029-L1033 PolarHBondContact O-N 3.02Å; V1029-V1069 HydrophobicContact CG1-CG1 4.28Å; V1029-V1069 HydrophobicContact CG1-CG2 4.02Å
1030L88.6Confident79.7Confident7 Ų737 Ų374%0.03723%0.227CC..Hα-helixtrans-61.4-41.6176.3-70.2167.3000110.8S1026 Q1027 L1033 S1034 Y1066 V1069 M1070 C1077S1026-L1030 WeakPolarHBondContact O-CB 3.33Å; S1026-L1030 VanDerWaalsContact O-CG 3.22Å; S1026-L1030 WeakPolarHBondContact O-CG 3.18Å; S1026-L1030 PolarHBondContact O-N 3.47Å; Q1027-L1030 PolarHBondContact O-N 3.31Å; L1030-L1033 PolarHBondContact O-N 3.19Å; L1030-S1034 PolarHBondContact O-N 3.48Å; L1030-S1034 PolarHBondContact O-OG 3.45Å; L1030-Y1066 HydrophobicContact CB-CE2 3.92Å; L1030-Y1066 HydrophobicContact CD2-CD1 4.03Å; L1030-Y1066 HydrophobicContact CD2-CD2 3.67Å; L1030-Y1066 HydrophobicContact CD2-CE1 3.97Å; L1030-Y1066 HydrophobicContact CD2-CE2 3.62Å; L1030-Y1066 HydrophobicContact CD2-CG 3.88Å; L1030-Y1066 HydrophobicContact CG-CE2 4.36Å; L1030-V1069 HydrophobicContact CD1-CG1 4.38Å; L1030-V1069 HydrophobicContact CD2-CB 3.99Å; L1030-V1069 HydrophobicContact CD2-CG1 3.81Å; L1030-V1069 HydrophobicContact CG-CG1 3.83Å; L1030-M1070 HydrophobicContact CD1-SD 3.69Å; L1030-M1070 HydrophobicContact CD2-CG 3.92Å; L1030-M1070 HydrophobicContact CD2-SD 4.08Å; L1030-C1077 HydrophobicContact CD1-CB 4.3Å
1031F88.7Confident82.5Confident41 Ų4129 Ų2918%0.1819%0.19CC..Hα-helixtrans-61.8-47173.5178.3-96.6000112.4P910 L912 L914 L921 Q1027 E1028 V1029 L1033 S1034 Q1035P910-F1031 HydrophobicContact CG-CD1 4.48Å; P910-F1031 HydrophobicContact CG-CD2 3.84Å; P910-F1031 HydrophobicContact CG-CE1 4.34Å; P910-F1031 HydrophobicContact CG-CE2 3.67Å; P910-F1031 HydrophobicContact CG-CG 4.24Å; P910-F1031 HydrophobicContact CG-CZ 3.93Å; L912-F1031 HydrophobicContact CD1-CB 4.02Å; L912-F1031 HydrophobicContact CD1-CG 4.48Å; L914-F1031 HydrophobicContact CD1-CD1 3.98Å; L914-F1031 HydrophobicContact CD1-CE1 3.62Å; L914-F1031 HydrophobicContact CD1-CZ 4.43Å; L914-F1031 HydrophobicContact CD2-CD1 3.66Å; L914-F1031 HydrophobicContact CD2-CE1 4.18Å; L914-F1031 HydrophobicContact CD2-CG 4.49Å; L914-F1031 HydrophobicContact CG-CD1 4.5Å; L921-F1031 HydrophobicContact CD2-CE1 4.49Å; Q1027-F1031 WeakPolarHBondContact O-CB 3.45Å; Q1027-F1031 PolarHBondContact O-N 2.92Å; E1028-F1031 PolarHBondContact O-N 3.16Å; V1029-F1031 VanDerWaalsContact C-N 3.32Å; V1029-F1031 PolarHBondContact O-N 3.3Å; F1031-L1033 PolarHBondContact O-N 3.09Å; F1031-S1034 WeakPolarHBondContact O-CB 3.37Å; F1031-S1034 PolarHBondContact O-N 2.93Å; F1031-Q1035 HydrophobicContact CD1-CG 4.25Å; F1031-Q1035 HydrophobicContact CE1-CG 3.77Å; F1031-Q1035 HydrophobicContact CE2-CG 4.45Å; F1031-Q1035 VanDerWaalsContact CE2-NE2 3.28Å; F1031-Q1035 HydrophobicContact CZ-CG 3.89Å; F1031-Q1035 VanDerWaalsContact CZ-NE2 3.28Å; F1031-Q1035 WeakPolarHBondContact O-CG 3.46Å; F1031-Q1035 PolarHBondContact O-N 3.29Å
1032V88.7Confident85Confident0 Ų026 Ų260%017%0.165CC..Hα-helixtrans-63.2-43.7179.5175.30000111F917 L921 V966 E1028 V1029 S1034 Q1035 L1036F917-V1032 HydrophobicContact CB-CG2 3.67Å; F917-V1032 HydrophobicContact CD1-CG2 4.2Å; F917-V1032 HydrophobicContact CG-CG2 3.87Å; L921-V1032 HydrophobicContact CD1-CG2 4.09Å; L921-V1032 HydrophobicContact CD2-CB 4.36Å; L921-V1032 HydrophobicContact CD2-CG1 4.2Å; L921-V1032 HydrophobicContact CD2-CG2 3.91Å; L921-V1032 HydrophobicContact CG-CG2 3.98Å; V966-V1032 HydrophobicContact CG1-CG1 4.33Å; V966-V1032 HydrophobicContact CG2-CG1 3.6Å; E1028-V1032 WeakPolarHBondContact O-CB 3.47Å; E1028-V1032 WeakPolarHBondContact O-CG2 3.46Å; E1028-V1032 PolarHBondContact O-N 3.15Å; V1029-V1032 PolarHBondContact O-N 2.92Å; V1032-S1034 VanDerWaalsContact C-N 3.29Å; V1032-S1034 PolarHBondContact O-N 3.46Å; V1032-Q1035 PolarHBondContact O-N 3.42Å; V1032-Q1035 VanDerWaalsContact O-N 3.16Å; V1032-L1036 HydrophobicContact CG1-CD1 4.44Å; V1032-L1036 HydrophobicContact CG1-CG 4.43Å; V1032-L1036 WeakPolarHBondContact O-CG 3.36Å; V1032-L1036 PolarHBondContact O-N 3.25Å
1033L91.3Very high87Confident4 Ų421.3 Ų21.32%0.02113%0.126CC..Hα-helixtrans-59.9-39.2174.5-70.4171.6000111.5M963 V1029 L1030 F1031 L1036 F1037 I1062 Y1066 V1069M963-L1033 HydrophobicContact CG-CD2 4.03Å; M963-L1033 HydrophobicContact SD-CD2 4.49Å; V1029-L1033 HydrophobicContact CG1-CD1 3.86Å; V1029-L1033 HydrophobicContact CG1-CG 4.3Å; V1029-L1033 WeakPolarHBondContact O-CB 3.39Å; V1029-L1033 VanDerWaalsContact O-CG 3.28Å; V1029-L1033 WeakPolarHBondContact O-CG 3.42Å; V1029-L1033 PolarHBondContact O-N 3.02Å; L1030-L1033 PolarHBondContact O-N 3.19Å; F1031-L1033 PolarHBondContact O-N 3.09Å; L1033-L1036 PolarHBondContact O-N 3.2Å; L1033-F1037 WeakPolarHBondContact O-CB 3.34Å; L1033-F1037 PolarHBondContact O-N 3.06Å; L1033-I1062 HydrophobicContact CB-CG2 4.24Å; L1033-I1062 HydrophobicContact CD2-CG2 4.25Å; L1033-I1062 WeakPolarHBondContact O-CG2 3.48Å; L1033-Y1066 HydrophobicContact CB-CD2 4.16Å; L1033-V1069 HydrophobicContact CD1-CG2 4.47Å
1034S90.1Very high88.4Confident13 Ų1317.4 Ų17.49%0.0919%0.092CC..Hα-helixtrans-62.4-40.1173.8-63.70000113.2L1030 F1031 V1032 C1038 Y1066 F1089L1030-S1034 PolarHBondContact O-N 3.48Å; L1030-S1034 PolarHBondContact O-OG 3.45Å; F1031-S1034 WeakPolarHBondContact O-CB 3.37Å; F1031-S1034 PolarHBondContact O-N 2.93Å; V1032-S1034 VanDerWaalsContact C-N 3.29Å; V1032-S1034 PolarHBondContact O-N 3.46Å; S1034-C1038 WeakPolarHBondContact O-CB 3.36Å; S1034-C1038 PolarHBondContact O-N 3.42Å; S1034-Y1066 WeakPolarHBondContact OG-CE2 3.29Å; S1034-F1089 VanDerWaalsContact OG-CZ 3.3Å; S1034-F1089 WeakPolarHBondContact OG-CZ 3.15Å
1035Q89Confident89.3Confident38 Ų3819.3 Ų19.318%0.17810%0.1CC..Hα-helixtrans-67.3-43.7174.6-60.8-52.2-41.600111.6L921 F1031 V1032 F1037 C1038 H1039L921-Q1035 HydrophobicContact CD2-CB 4.15Å; L921-Q1035 HydrophobicContact CD2-CG 4.08Å; F1031-Q1035 HydrophobicContact CD1-CG 4.25Å; F1031-Q1035 HydrophobicContact CE1-CG 3.77Å; F1031-Q1035 HydrophobicContact CE2-CG 4.45Å; F1031-Q1035 VanDerWaalsContact CE2-NE2 3.28Å; F1031-Q1035 HydrophobicContact CZ-CG 3.89Å; F1031-Q1035 VanDerWaalsContact CZ-NE2 3.28Å; F1031-Q1035 WeakPolarHBondContact O-CG 3.46Å; F1031-Q1035 PolarHBondContact O-N 3.29Å; V1032-Q1035 PolarHBondContact O-N 3.42Å; V1032-Q1035 VanDerWaalsContact O-N 3.16Å; Q1035-F1037 VanDerWaalsContact C-N 3.33Å; Q1035-F1037 PolarHBondContact O-N 3.37Å; Q1035-C1038 WeakPolarHBondContact O-CB 3.49Å; Q1035-C1038 PolarHBondContact O-N 2.68Å; Q1035-H1039 WeakPolarHBondContact O-CB 3.22Å; Q1035-H1039 PolarHBondContact O-CD2 2.88Å; Q1035-H1039 PolarHBondContact O-N 3.23Å
1036L92.4Very high89.5Confident1 Ų121.6 Ų21.61%0.00511%0.11CC..Hα-helixtrans-59.4-43.5175.9-66.1-178000111.5S924 V959 M962 M963 V1032 L1033 H1039 I1040 I1062S924-L1036 WeakPolarHBondContact OG-CD2 3.47Å; V959-L1036 HydrophobicContact CG1-CB 4.09Å; V959-L1036 HydrophobicContact CG1-CD1 4.17Å; V959-L1036 HydrophobicContact CG1-CD2 4.15Å; V959-L1036 HydrophobicContact CG1-CG 4.36Å; M962-L1036 HydrophobicContact CE-CD2 4.18Å; M963-L1036 HydrophobicContact CB-CD1 4.26Å; V1032-L1036 HydrophobicContact CG1-CD1 4.44Å; V1032-L1036 HydrophobicContact CG1-CG 4.43Å; V1032-L1036 WeakPolarHBondContact O-CG 3.36Å; V1032-L1036 PolarHBondContact O-N 3.25Å; L1033-L1036 PolarHBondContact O-N 3.2Å; L1036-H1039 PolarHBondContact O-N 3.36Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.47Å; L1036-I1040 PolarHBondContact O-N 3.43Å; L1036-I1062 HydrophobicContact CB-CD1 3.99Å
1037F93.1Very high89.4Confident0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-60.1-49.9174.3-176.3-95.1000111.6L1033 Q1035 H1039 I1040 Q1041 I1062 L1063 F1089 I1092 L1105 I1109L1033-F1037 WeakPolarHBondContact O-CB 3.34Å; L1033-F1037 PolarHBondContact O-N 3.06Å; Q1035-F1037 VanDerWaalsContact C-N 3.33Å; Q1035-F1037 PolarHBondContact O-N 3.37Å; F1037-H1039 VanDerWaalsContact C-N 3.34Å; F1037-H1039 PolarHBondContact O-N 2.87Å; F1037-I1040 PolarHBondContact O-N 3.26Å; F1037-Q1041 HydrophobicContact CD1-CG 4.06Å; F1037-Q1041 HydrophobicContact CE1-CG 3.7Å; F1037-Q1041 HydrophobicContact CE2-CG 4.24Å; F1037-Q1041 HydrophobicContact CG-CG 4.49Å; F1037-Q1041 HydrophobicContact CZ-CG 3.79Å; F1037-Q1041 WeakPolarHBondContact O-CB 3.28Å; F1037-Q1041 WeakPolarHBondContact O-CG 3.44Å; F1037-Q1041 PolarHBondContact O-N 2.85Å; F1037-I1062 HydrophobicContact CB-CG2 3.99Å; F1037-L1063 HydrophobicContact CD2-CD1 4.43Å; F1037-L1063 HydrophobicContact CD2-CD2 4.02Å; F1037-L1063 HydrophobicContact CD2-CG 3.91Å; F1037-L1063 HydrophobicContact CE2-CD1 3.66Å; F1037-L1063 HydrophobicContact CE2-CD2 3.85Å; F1037-L1063 HydrophobicContact CE2-CG 3.63Å; F1037-L1063 HydrophobicContact CZ-CD1 4.25Å; F1037-L1063 HydrophobicContact CZ-CD2 4.34Å; F1037-L1063 HydrophobicContact CZ-CG 4.47Å; F1037-F1089 HydrophobicContact CB-CE1 4.31Å; F1037-F1089 AromaticContact CD1-CD1 3.47Å; F1037-F1089 HydrophobicContact CD1-CD1 3.47Å; F1037-F1089 VanDerWaalsContact CD1-CD1 3.47Å; F1037-F1089 AromaticContact CD1-CE1 3.97Å; F1037-F1089 HydrophobicContact CD1-CE1 3.97Å; F1037-F1089 HydrophobicContact CD1-CG 4.26Å; F1037-F1089 HydrophobicContact CE1-CB 4.01Å; F1037-F1089 AromaticContact CE1-CD1 3.81Å; F1037-F1089 HydrophobicContact CE1-CD1 3.81Å; F1037-F1089 HydrophobicContact CE1-CG 4.19Å; F1037-F1089 HydrophobicContact CG-CD1 4.17Å; F1037-F1089 HydrophobicContact CG-CE1 4.29Å; F1037-I1092 HydrophobicContact CE1-CG2 4.28Å; F1037-L1105 HydrophobicContact CE2-CD2 4.22Å; F1037-I1109 HydrophobicContact CZ-CD1 4.25Å
1038C90.9Very high88.9Confident17 Ų1720.5 Ų20.512%0.11511%0.109CC..Hα-helixtrans-55.8-47177.8-177.10000112S1034 Q1035 Q1041 H1042 F1088 I1092S1034-C1038 WeakPolarHBondContact O-CB 3.36Å; S1034-C1038 PolarHBondContact O-N 3.42Å; Q1035-C1038 WeakPolarHBondContact O-CB 3.49Å; Q1035-C1038 PolarHBondContact O-N 2.68Å; C1038-Q1041 PolarHBondContact O-N 3.29Å; C1038-H1042 WeakPolarHBondContact O-CB 3.34Å; C1038-H1042 PolarHBondContact O-N 2.97Å; C1038-F1088 HydrophobicContact CB-CZ 4.43Å; C1038-I1092 HydrophobicContact CB-CD1 3.96Å
1039H92.1Very high87.8Confident4 Ų422.6 Ų22.62%0.01914%0.137CC..Hα-helixtrans-66.9-41.5-178.8-64173.1000112.6S924 L928 Q1035 L1036 F1037 I1043S924-H1039 PolarHBondContact OG-ND1 3.37Å; L928-H1039 HydrophobicContact CD2-CB 4.22Å; L928-H1039 VanDerWaalsContact CD2-CD2 3.46Å; L928-H1039 WeakPolarHBondContact CD2-CD2 3.49Å; Q1035-H1039 WeakPolarHBondContact O-CB 3.22Å; Q1035-H1039 PolarHBondContact O-CD2 2.88Å; Q1035-H1039 PolarHBondContact O-N 3.23Å; L1036-H1039 PolarHBondContact O-N 3.36Å; F1037-H1039 VanDerWaalsContact C-N 3.34Å; F1037-H1039 PolarHBondContact O-N 2.87Å; H1039-I1043 WeakPolarHBondContact O-CD1 3.44Å; H1039-I1043 PolarHBondContact O-N 2.97Å
1040I93Very high86.6Confident0 Ų025 Ų250%016%0.163CC..Hα-helixtrans-61.5-47.3173.3-69-167.8000110.9Y955 V959 L1036 F1037 H1042 I1043 Q1044 L1055 C1058 S1059 I1062Y955-I1040 HydrophobicContact CE1-CG1 3.92Å; V959-I1040 HydrophobicContact CB-CD1 3.98Å; V959-I1040 HydrophobicContact CB-CG1 4.49Å; V959-I1040 HydrophobicContact CG1-CD1 3.75Å; V959-I1040 HydrophobicContact CG1-CG1 4.27Å; V959-I1040 HydrophobicContact CG2-CD1 4.12Å; V959-I1040 HydrophobicContact CG2-CG1 4.1Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.47Å; L1036-I1040 PolarHBondContact O-N 3.43Å; F1037-I1040 PolarHBondContact O-N 3.26Å; I1040-H1042 VanDerWaalsContact C-N 3.35Å; I1040-H1042 PolarHBondContact O-N 3.18Å; I1040-I1043 PolarHBondContact O-N 3.5Å; I1040-Q1044 WeakPolarHBondContact O-CB 3.49Å; I1040-Q1044 PolarHBondContact O-N 2.95Å; I1040-L1055 HydrophobicContact CG2-CB 3.83Å; I1040-L1055 HydrophobicContact CG2-CD2 4.48Å; I1040-L1055 WeakPolarHBondContact CG2-O 3.13Å; I1040-C1058 HydrophobicContact CD1-CB 3.74Å; I1040-C1058 WeakPolarHBondContact CD1-SG 3.39Å; I1040-S1059 WeakPolarHBondContact CG2-OG 3.49Å; I1040-I1062 HydrophobicContact CD1-CD1 3.66Å; I1040-I1062 HydrophobicContact CG1-CD1 4.41Å
1041Q90.4Very high85.7Confident1 Ų129.1 Ų29.11%0.00518%0.182CC..Hα-helixtrans-63.3-39.5-179-69.5-61.9-80.400112.3F1037 C1038 I1043 Q1044 V1045 S1059 I1092F1037-Q1041 HydrophobicContact CD1-CG 4.06Å; F1037-Q1041 HydrophobicContact CE1-CG 3.7Å; F1037-Q1041 HydrophobicContact CE2-CG 4.24Å; F1037-Q1041 HydrophobicContact CG-CG 4.49Å; F1037-Q1041 HydrophobicContact CZ-CG 3.79Å; F1037-Q1041 WeakPolarHBondContact O-CB 3.28Å; F1037-Q1041 WeakPolarHBondContact O-CG 3.44Å; F1037-Q1041 PolarHBondContact O-N 2.85Å; C1038-Q1041 PolarHBondContact O-N 3.29Å; Q1041-I1043 PolarHBondContact O-N 3.46Å; Q1041-Q1044 PolarHBondContact O-N 3.32Å; Q1041-V1045 WeakPolarHBondContact O-CG2 3.41Å; Q1041-V1045 PolarHBondContact O-N 3.02Å; Q1041-S1059 PolarHBondContact NE2-OG 2.7Å; Q1041-I1092 HydrophobicContact CB-CG2 3.33Å; Q1041-I1092 HydrophobicContact CG-CG2 3.73Å
1042H89.8Confident85.4Confident59 Ų5927.7 Ų27.727%0.27318%0.176SC..Hα-helixtrans-59.1-47.7175.1-163.3162.5000111.5L928 Q932 C1038 I1040 V1045 M1046L928-H1042 HydrophobicContact CD1-CB 4.28Å; Q932-H1042 PolarHBondContact NE2-CE1 3.37Å; C1038-H1042 WeakPolarHBondContact O-CB 3.34Å; C1038-H1042 PolarHBondContact O-N 2.97Å; I1040-H1042 VanDerWaalsContact C-N 3.35Å; I1040-H1042 PolarHBondContact O-N 3.18Å; H1042-V1045 PolarHBondContact O-N 3.5Å; H1042-M1046 WeakPolarHBondContact O-CG 3.49Å; H1042-M1046 PolarHBondContact O-N 2.87Å; H1042-M1046 VanDerWaalsContact O-N 3.15Å
1043I89.9Confident85.4Confident4 Ų433.4 Ų33.42%0.02120%0.203CC..Hα-helixtrans-64.5-42.8176.2-69.3156.6000110.6L928 L931 Y955 H1039 I1040 Q1041 V1045 M1046 M1047 L1055L928-I1043 HydrophobicContact CD1-CD1 3.79Å; L928-I1043 HydrophobicContact CD1-CG1 3.61Å; L931-I1043 HydrophobicContact CB-CD1 4.12Å; L931-I1043 HydrophobicContact CB-CG1 4.13Å; L931-I1043 HydrophobicContact CD1-CD1 3.6Å; L931-I1043 HydrophobicContact CD1-CG1 4.34Å; L931-I1043 HydrophobicContact CD1-CG2 4.38Å; L931-I1043 HydrophobicContact CG-CD1 4.5Å; Y955-I1043 HydrophobicContact CD1-CD1 3.92Å; Y955-I1043 HydrophobicContact CE1-CD1 3.23Å; Y955-I1043 HydrophobicContact CE1-CG1 4.48Å; Y955-I1043 HydrophobicContact CE2-CD1 4.21Å; Y955-I1043 VanDerWaalsContact CZ-CD1 3.42Å; H1039-I1043 WeakPolarHBondContact O-CD1 3.44Å; H1039-I1043 PolarHBondContact O-N 2.97Å; I1040-I1043 PolarHBondContact O-N 3.5Å; Q1041-I1043 PolarHBondContact O-N 3.46Å; I1043-V1045 PolarHBondContact O-N 2.91Å; I1043-M1046 PolarHBondContact O-N 2.93Å; I1043-M1047 HydrophobicContact CG2-CG 3.71Å; I1043-M1047 HydrophobicContact CG2-SD 4.35Å; I1043-M1047 WeakPolarHBondContact O-CB 3.35Å; I1043-M1047 WeakPolarHBondContact O-CG 3.43Å; I1043-M1047 PolarHBondContact O-N 3.35Å; I1043-L1055 HydrophobicContact CG2-CD1 3.94Å
1044Q89.6Confident85.3Confident10 Ų1034.9 Ų34.95%0.04721%0.213CC..Hα-helixtrans-59.2-29.4177.7-177.816723.900113.3I1040 Q1041 S1052 L1055 L1096 M1101I1040-Q1044 WeakPolarHBondContact O-CB 3.49Å; I1040-Q1044 PolarHBondContact O-N 2.95Å; Q1041-Q1044 PolarHBondContact O-N 3.32Å; Q1044-S1052 PolarHBondContact NE2-OG 3.16Å; Q1044-L1055 HydrophobicContact CB-CD1 4.25Å; Q1044-L1096 HydrophobicContact CB-CD2 4.18Å; Q1044-L1096 HydrophobicContact CG-CD2 3.59Å; Q1044-M1101 PolarHBondContact NE2-SD 2.99Å; Q1044-M1101 VanDerWaalsContact NE2-SD 3.42Å
1045V88.6Confident85.5Confident69 Ų6934.3 Ų34.342%0.41821%0.209SC..Hα-helixtrans-78.5-34.6173.4172.80000112.4Q1041 H1042 I1043 N1095 L1096Q1041-V1045 WeakPolarHBondContact O-CG2 3.41Å; Q1041-V1045 PolarHBondContact O-N 3.02Å; H1042-V1045 PolarHBondContact O-N 3.5Å; I1043-V1045 PolarHBondContact O-N 2.91Å; V1045-N1095 HydrophobicContact CG2-CB 3.91Å; V1045-L1096 HydrophobicContact CG2-CD2 4.1Å
1046M87.2Confident85.6Confident67 Ų6733.4 Ų33.433%0.3320%0.204SC..Hα-helixtrans-82.4-23.8-179.1-68.1-178.770.800114.6Q932 C935 H1042 I1043Q932-M1046 HydrophobicContact CB-CE 4.26Å; Q932-M1046 HydrophobicContact CG-CE 4.01Å; Q932-M1046 HydrophobicContact CG-SD 3.78Å; C935-M1046 HydrophobicContact CB-CB 4.15Å; C935-M1046 HydrophobicContact CB-CE 4.2Å; H1042-M1046 WeakPolarHBondContact O-CG 3.49Å; H1042-M1046 PolarHBondContact O-N 2.87Å; H1042-M1046 VanDerWaalsContact O-N 3.15Å; I1043-M1046 PolarHBondContact O-N 2.93Å
1047M83.3Confident85.7Confident18 Ų1837.2 Ų37.29%0.08922%0.224CC..  trans-65.2125.6-172.9-84.8-71.2-52.200113.2W948 C952 I1043 L1055W948-M1047 HydrophobicContact CB-CE 3.75Å; W948-M1047 HydrophobicContact CD2-CE 3.98Å; W948-M1047 HydrophobicContact CE3-CE 3.41Å; W948-M1047 VanDerWaalsContact CE3-CE 3.41Å; W948-M1047 HydrophobicContact CE3-SD 3.58Å; W948-M1047 VanDerWaalsContact CE3-SD 3.58Å; W948-M1047 HydrophobicContact CG-CE 4.17Å; W948-M1047 HydrophobicContact CZ3-CE 4.24Å; W948-M1047 HydrophobicContact CZ3-SD 3.81Å; C952-M1047 WeakPolarHBondContact SG-CE 3.33Å; I1043-M1047 HydrophobicContact CG2-CG 3.71Å; I1043-M1047 HydrophobicContact CG2-SD 4.35Å; I1043-M1047 WeakPolarHBondContact O-CB 3.35Å; I1043-M1047 WeakPolarHBondContact O-CG 3.43Å; I1043-M1047 PolarHBondContact O-N 3.35Å; M1047-L1055 HydrophobicContact CG-CD1 4.36Å
1048P73.2Confident85.8Confident51 Ų5137.2 Ų37.233%0.33122%0.224SC..G310 helixtrans-71.1163.3174.231.2-35.6000112.2W948 G1050W948-P1048 HydrophobicContact CD2-CG 3.71Å; W948-P1048 HydrophobicContact CE3-CG 4.3Å; W948-P1048 HydrophobicContact CG-CG 4.08Å; W948-P1048 HydrophobicContact CH2-CG 4.18Å; W948-P1048 HydrophobicContact CZ2-CG 3.63Å; W948-P1048 HydrophobicContact CZ3-CG 4.5Å; P1048-G1050 PolarHBondContact O-N 3.24Å
1049G64.5Low85.9Confident69 Ų6936.4 Ų36.471%0.71122%0.219SC*.G310 helixtrans73.2-5.617100000116.8Q1051G1049-Q1051 PolarHBondContact O-N 3.42Å
1050G65.3Low86.1Confident53 Ų5337.9 Ų37.955%0.54623%0.227SC..G310 helixtrans74.4-0.2171.900000116.3P1048 S1052P1048-G1050 PolarHBondContact O-N 3.24Å; G1050-S1052 PolarHBondContact O-N 3.42Å; G1050-S1052 PolarHBondContact O-OG 3Å
1051Q69.3Low86.2Confident93 Ų9340.4 Ų40.444%0.43524%0.238SC..  trans-73.759.8-178.1-66-64.9-10.400112.8A949 C952 G1049A949-Q1051 HydrophobicContact CB-CB 3.97Å; A949-Q1051 HydrophobicContact CB-CG 4.29Å; C952-Q1051 PolarHBondContact SG-O 2.89Å; G1049-Q1051 PolarHBondContact O-N 3.42Å
1052S81.8Confident86.4Confident10 Ų1040.4 Ų40.47%0.0724%0.239CC..  trans-10710-171.361.40000115Q1044 G1050 L1055 F1056Q1044-S1052 PolarHBondContact NE2-OG 3.16Å; G1050-S1052 PolarHBondContact O-N 3.42Å; G1050-S1052 PolarHBondContact O-OG 3Å; S1052-L1055 WeakPolarHBondContact O-CB 3.38Å; S1052-L1055 PolarHBondContact O-N 3.4Å; S1052-F1056 PolarHBondContact O-N 3.44Å
1053E88.2Confident86.6Confident121 Ų12137.7 Ų37.757%0.56523%0.226SC*.Hα-helixtrans-54.6-43.6-179.7-177.5174.4-161.100114.2L1055 F1056 L1057 M1101E1053-L1055 VanDerWaalsContact C-N 3.27Å; E1053-L1055 PolarHBondContact O-N 2.93Å; E1053-F1056 PolarHBondContact O-N 3.14Å; E1053-L1057 HydrophobicContact CG-CD1 4.1Å; E1053-L1057 HydrophobicContact CG-CG 4.38Å; E1053-L1057 WeakPolarHBondContact O-CG 3.5Å; E1053-L1057 PolarHBondContact O-N 2.98Å; E1053-M1101 HydrophobicContact CB-CE 4.19Å
1054P90.7Very high86.7Confident35 Ų3539.7 Ų39.723%0.22724%0.241CC..Hα-helixtrans-61.4-34.8175.5-23.234.5000113.3C952 R953 A956 C1058C952-P1054 HydrophobicContact CB-CB 4.41Å; C952-P1054 HydrophobicContact CB-CG 4.14Å; R953-P1054 HydrophobicContact CG-CB 4.34Å; R953-P1054 HydrophobicContact CG-CG 3.8Å; A956-P1054 HydrophobicContact CB-CB 3.94Å; P1054-C1058 VanDerWaalsContact O-CB 3.31Å; P1054-C1058 WeakPolarHBondContact O-CB 3.48Å; P1054-C1058 PolarHBondContact O-N 3.02Å
1055L92.3Very high86.8Confident0 Ų042 Ų420%025%0.251CS..Hα-helixtrans-72.2-43.5178.4-57.8-174.3000110.9C952 Y955 A956 I1040 I1043 Q1044 M1047 S1052 E1053 C1058 S1059C952-L1055 HydrophobicContact CB-CG 4.28Å; Y955-L1055 HydrophobicContact CD1-CD2 3.78Å; A956-L1055 HydrophobicContact CB-CD2 4.35Å; I1040-L1055 HydrophobicContact CG2-CB 3.83Å; I1040-L1055 HydrophobicContact CG2-CD2 4.48Å; I1040-L1055 WeakPolarHBondContact CG2-O 3.13Å; I1043-L1055 HydrophobicContact CG2-CD1 3.94Å; Q1044-L1055 HydrophobicContact CB-CD1 4.25Å; M1047-L1055 HydrophobicContact CG-CD1 4.36Å; S1052-L1055 WeakPolarHBondContact O-CB 3.38Å; S1052-L1055 PolarHBondContact O-N 3.4Å; E1053-L1055 VanDerWaalsContact C-N 3.27Å; E1053-L1055 PolarHBondContact O-N 2.93Å; L1055-C1058 PolarHBondContact O-N 3.02Å; L1055-S1059 PolarHBondContact O-N 2.93Å; L1055-S1059 PolarHBondContact O-OG 2.85Å; L1055-S1059 VanDerWaalsContact O-OG 3.09Å
1056F92.3Very high86.9Confident20 Ų2039.2 Ų39.29%0.08823%0.233CC..Hα-helixtrans-59.7-45.7173.9164.9-110000112.5S1052 E1053 S1059 L1060 M1101 V1104 L1105S1052-F1056 PolarHBondContact O-N 3.44Å; E1053-F1056 PolarHBondContact O-N 3.14Å; F1056-S1059 WeakPolarHBondContact O-CB 3.39Å; F1056-S1059 PolarHBondContact O-N 3.36Å; F1056-L1060 HydrophobicContact CD1-CD1 4.48Å; F1056-L1060 HydrophobicContact CD2-CD1 4.46Å; F1056-L1060 HydrophobicContact CE1-CD1 3.91Å; F1056-L1060 HydrophobicContact CE2-CD1 3.88Å; F1056-L1060 HydrophobicContact CE2-CG 4.31Å; F1056-L1060 HydrophobicContact CZ-CD1 3.59Å; F1056-L1060 HydrophobicContact CZ-CG 4.49Å; F1056-L1060 PolarHBondContact O-N 3.07Å; F1056-M1101 HydrophobicContact CB-CE 4Å; F1056-M1101 HydrophobicContact CB-CG 4.22Å; F1056-M1101 HydrophobicContact CB-SD 3.9Å; F1056-M1101 HydrophobicContact CD1-CE 4.17Å; F1056-M1101 HydrophobicContact CD1-CG 4.08Å; F1056-M1101 HydrophobicContact CD2-CB 3.58Å; F1056-M1101 HydrophobicContact CD2-CG 3.66Å; F1056-M1101 HydrophobicContact CD2-SD 4.41Å; F1056-M1101 HydrophobicContact CE1-CG 4.34Å; F1056-M1101 HydrophobicContact CE2-CB 3.76Å; F1056-M1101 HydrophobicContact CE2-CG 3.94Å; F1056-M1101 WeakPolarHBondContact CE2-O 3.38Å; F1056-M1101 HydrophobicContact CG-CB 4.16Å; F1056-M1101 HydrophobicContact CG-CE 4.17Å; F1056-M1101 HydrophobicContact CG-CG 3.72Å; F1056-M1101 HydrophobicContact CG-SD 4.07Å; F1056-M1101 HydrophobicContact CZ-CB 4.47Å; F1056-M1101 HydrophobicContact CZ-CG 4.26Å; F1056-V1104 HydrophobicContact CE2-CB 4.13Å; F1056-V1104 HydrophobicContact CE2-CG1 4.26Å; F1056-V1104 HydrophobicContact CZ-CB 3.95Å; F1056-V1104 HydrophobicContact CZ-CG1 3.88Å; F1056-L1105 HydrophobicContact CD2-CD1 4.01Å; F1056-L1105 HydrophobicContact CD2-CG 4.1Å; F1056-L1105 HydrophobicContact CE2-CD1 4.37Å; F1056-L1105 HydrophobicContact CE2-CG 4.02Å
1057L93.7Very high87Confident81 Ų8137.6 Ų37.642%0.42423%0.225SC..Hα-helixtrans-63.6-43.1175.9-68.1174.1000111.2E1053 S1059 L1060 E1061E1053-L1057 HydrophobicContact CG-CD1 4.1Å; E1053-L1057 HydrophobicContact CG-CG 4.38Å; E1053-L1057 WeakPolarHBondContact O-CG 3.5Å; E1053-L1057 PolarHBondContact O-N 2.98Å; L1057-S1059 VanDerWaalsContact C-N 3.35Å; L1057-S1059 PolarHBondContact O-N 2.98Å; L1057-L1060 PolarHBondContact O-N 3.33Å; L1057-E1061 PolarHBondContact O-N 3.2Å
1058C94.8Very high87.3Confident0 Ų039.4 Ų39.40%024%0.242CC..Hα-helixtrans-63.9-36.9175.4-163.70000112.4A956 I1040 P1054 L1055 L1060 E1061 I1062A956-C1058 HydrophobicContact CB-CB 4.14Å; I1040-C1058 HydrophobicContact CD1-CB 3.74Å; I1040-C1058 WeakPolarHBondContact CD1-SG 3.39Å; P1054-C1058 VanDerWaalsContact O-CB 3.31Å; P1054-C1058 WeakPolarHBondContact O-CB 3.48Å; P1054-C1058 PolarHBondContact O-N 3.02Å; L1055-C1058 PolarHBondContact O-N 3.02Å; C1058-L1060 PolarHBondContact O-N 3.38Å; C1058-E1061 WeakPolarHBondContact O-CB 3.37Å; C1058-E1061 PolarHBondContact O-N 2.88Å; C1058-I1062 WeakPolarHBondContact O-CG1 3.46Å; C1058-I1062 PolarHBondContact O-N 3.02Å
1059S94.8Very high88Confident0 Ų037.5 Ų37.50%023%0.23CC..Hα-helixtrans-60.2-42171.4-65.60000112.5I1040 Q1041 L1055 F1056 L1057 I1062 L1063I1040-S1059 WeakPolarHBondContact CG2-OG 3.49Å; Q1041-S1059 PolarHBondContact NE2-OG 2.7Å; L1055-S1059 PolarHBondContact O-N 2.93Å; L1055-S1059 PolarHBondContact O-OG 2.85Å; L1055-S1059 VanDerWaalsContact O-OG 3.09Å; F1056-S1059 WeakPolarHBondContact O-CB 3.39Å; F1056-S1059 PolarHBondContact O-N 3.36Å; L1057-S1059 VanDerWaalsContact C-N 3.35Å; L1057-S1059 PolarHBondContact O-N 2.98Å; S1059-I1062 PolarHBondContact O-N 2.89Å; S1059-L1063 WeakPolarHBondContact O-CG 3.43Å; S1059-L1063 PolarHBondContact O-N 3.43Å
1060L95.1Very high89Confident35 Ų3534.9 Ų34.918%0.18320%0.199CC..Hα-helixtrans-68-35.6175.1-71.4171.6000112.3F1056 L1057 C1058 S1064 V1104 L1105 K1108F1056-L1060 HydrophobicContact CD1-CD1 4.48Å; F1056-L1060 HydrophobicContact CD2-CD1 4.46Å; F1056-L1060 HydrophobicContact CE1-CD1 3.91Å; F1056-L1060 HydrophobicContact CE2-CD1 3.88Å; F1056-L1060 HydrophobicContact CE2-CG 4.31Å; F1056-L1060 HydrophobicContact CZ-CD1 3.59Å; F1056-L1060 HydrophobicContact CZ-CG 4.49Å; F1056-L1060 PolarHBondContact O-N 3.07Å; L1057-L1060 PolarHBondContact O-N 3.33Å; C1058-L1060 PolarHBondContact O-N 3.38Å; L1060-S1064 WeakPolarHBondContact O-CB 3.45Å; L1060-S1064 PolarHBondContact O-N 3.08Å; L1060-S1064 PolarHBondContact O-OG 3.43Å; L1060-V1104 HydrophobicContact CD1-CG1 4.19Å; L1060-V1104 HydrophobicContact CD2-CG1 4.25Å; L1060-L1105 HydrophobicContact CD2-CD2 3.79Å; L1060-L1105 HydrophobicContact CD2-CG 4.49Å; L1060-L1105 HydrophobicContact CG-CD2 4.08Å; L1060-K1108 HydrophobicContact CD2-CB 3.9Å; L1060-K1108 HydrophobicContact CD2-CG 4.04Å
1061E95.1Very high89.9Confident52 Ų5234.8 Ų34.824%0.24319%0.193CC..Hα-helixtrans-62.1-47.3170.8-71.7173.6-142.700111.1R960 M963 L1057 C1058 S1064 H1065R960-E1061 IonicContact CZ-OE1 3.44Å; R960-E1061 IonicContact CZ-OE2 3.35Å; R960-E1061 IonicContact NE-OE1 2.7Å; R960-E1061 PolarHBondContact NE-OE1 3.31Å; R960-E1061 IonicContact NE-OE2 2.72Å; R960-E1061 PolarHBondContact NE-OE2 3.04Å; R960-E1061 IonicContact NH2-OE1 2.68Å; R960-E1061 PolarHBondContact NH2-OE1 3.29Å; R960-E1061 IonicContact NH2-OE2 3.64Å; M963-E1061 HydrophobicContact CE-CB 4.02Å; L1057-E1061 PolarHBondContact O-N 3.2Å; C1058-E1061 WeakPolarHBondContact O-CB 3.37Å; C1058-E1061 PolarHBondContact O-N 2.88Å; E1061-S1064 PolarHBondContact O-N 3.46Å; E1061-H1065 PolarHBondContact O-N 3.39Å; E1061-H1065 PolarHBondContact O-ND1 3.19Å
1062I94.7Very high90.6Very high2 Ų232.8 Ų32.81%0.0119%0.193CC..Hα-helixtrans-60.6-48.5179.1-67.8164000110.9V959 M963 L1033 L1036 F1037 I1040 C1058 S1059 S1064 H1065 Y1066V959-I1062 HydrophobicContact CG1-CD1 3.91Å; M963-I1062 HydrophobicContact SD-CG1 3.88Å; L1033-I1062 HydrophobicContact CB-CG2 4.24Å; L1033-I1062 HydrophobicContact CD2-CG2 4.25Å; L1033-I1062 WeakPolarHBondContact O-CG2 3.48Å; L1036-I1062 HydrophobicContact CB-CD1 3.99Å; F1037-I1062 HydrophobicContact CB-CG2 3.99Å; I1040-I1062 HydrophobicContact CD1-CD1 3.66Å; I1040-I1062 HydrophobicContact CG1-CD1 4.41Å; C1058-I1062 WeakPolarHBondContact O-CG1 3.46Å; C1058-I1062 PolarHBondContact O-N 3.02Å; S1059-I1062 PolarHBondContact O-N 2.89Å; I1062-S1064 VanDerWaalsContact C-N 3.26Å; I1062-S1064 PolarHBondContact O-N 3.45Å; I1062-H1065 PolarHBondContact O-N 3.28Å; I1062-H1065 VanDerWaalsContact O-N 3.14Å; I1062-Y1066 PolarHBondContact O-N 3.01Å
1063L94.3Very high90.8Very high1 Ų133.9 Ų33.91%0.00520%0.196CC..Hα-helixtrans-60.5-35.9176.8-69.6172.1000112.3F1037 S1059 Y1066 E1067 F1089 L1105 K1108 I1109 L1112F1037-L1063 HydrophobicContact CD2-CD1 4.43Å; F1037-L1063 HydrophobicContact CD2-CD2 4.02Å; F1037-L1063 HydrophobicContact CD2-CG 3.91Å; F1037-L1063 HydrophobicContact CE2-CD1 3.66Å; F1037-L1063 HydrophobicContact CE2-CD2 3.85Å; F1037-L1063 HydrophobicContact CE2-CG 3.63Å; F1037-L1063 HydrophobicContact CZ-CD1 4.25Å; F1037-L1063 HydrophobicContact CZ-CD2 4.34Å; F1037-L1063 HydrophobicContact CZ-CG 4.47Å; S1059-L1063 WeakPolarHBondContact O-CG 3.43Å; S1059-L1063 PolarHBondContact O-N 3.43Å; L1063-Y1066 PolarHBondContact O-N 3.06Å; L1063-E1067 PolarHBondContact O-N 3Å; L1063-F1089 HydrophobicContact CD2-CD2 3.94Å; L1063-F1089 HydrophobicContact CD2-CE2 4.16Å; L1063-F1089 HydrophobicContact CD2-CG 4.32Å; L1063-L1105 HydrophobicContact CD1-CD2 3.67Å; L1063-K1108 HydrophobicContact CB-CG 3.93Å; L1063-K1108 HydrophobicContact CD1-CB 4.3Å; L1063-K1108 HydrophobicContact CD1-CG 3.99Å; L1063-I1109 HydrophobicContact CD1-CD1 4.39Å; L1063-I1109 HydrophobicContact CD1-CG1 3.75Å; L1063-I1109 HydrophobicContact CD2-CG1 4Å; L1063-L1112 HydrophobicContact CD2-CD1 4.3Å
1064S92.9Very high90.3Very high47 Ų4732.1 Ų32.133%0.32920%0.195SC..Hα-helixtrans-70.7-32.2176.9-56.50000112.7L1060 E1061 I1062 A1068 K1108L1060-S1064 WeakPolarHBondContact O-CB 3.45Å; L1060-S1064 PolarHBondContact O-N 3.08Å; L1060-S1064 PolarHBondContact O-OG 3.43Å; E1061-S1064 PolarHBondContact O-N 3.46Å; I1062-S1064 VanDerWaalsContact C-N 3.26Å; I1062-S1064 PolarHBondContact O-N 3.45Å; S1064-A1068 WeakPolarHBondContact O-CB 3.13Å; S1064-A1068 PolarHBondContact O-N 2.92Å; S1064-A1068 VanDerWaalsContact O-N 3.07Å; S1064-K1108 WeakPolarHBondContact OG-CE 3.22Å; S1064-K1108 PolarHBondContact OG-NZ 2.94Å
1065H90.2Very high89.7Confident57 Ų5738.3 Ų38.326%0.26423%0.227SC..Hα-helixtrans-77.9-32.4172.9-68.396000112.3M963 K967 E1061 I1062 A1068 V1069M963-H1065 HydrophobicContact SD-CB 4.23Å; M963-H1065 PolarHBondContact SD-ND1 3.24Å; M963-H1065 VanDerWaalsContact SD-ND1 3.36Å; K967-H1065 WeakPolarHBondContact CE-CD2 3.4Å; K967-H1065 PolarHBondContact NZ-CD2 3.38Å; K967-H1065 VanDerWaalsContact NZ-CD2 3.32Å; K967-H1065 PolarHBondContact NZ-CE1 2.88Å; K967-H1065 VanDerWaalsContact NZ-CE1 3.31Å; K967-H1065 PolarHBondContact NZ-NE2 3.5Å; E1061-H1065 PolarHBondContact O-N 3.39Å; E1061-H1065 PolarHBondContact O-ND1 3.19Å; I1062-H1065 PolarHBondContact O-N 3.28Å; I1062-H1065 VanDerWaalsContact O-N 3.14Å; H1065-A1068 PolarHBondContact O-N 3.32Å; H1065-V1069 WeakPolarHBondContact O-CG2 3.21Å; H1065-V1069 PolarHBondContact O-N 3.2Å
1066Y91.3Very high89.1Confident11 Ų1138.8 Ų38.84%0.04323%0.23CC..Hα-helixtrans-59.7-48.5170.2-170-78.7000110.5L1030 L1033 S1034 I1062 L1063 A1068 V1069 M1070 A1085 F1089 L1112L1030-Y1066 HydrophobicContact CB-CE2 3.92Å; L1030-Y1066 HydrophobicContact CD2-CD1 4.03Å; L1030-Y1066 HydrophobicContact CD2-CD2 3.67Å; L1030-Y1066 HydrophobicContact CD2-CE1 3.97Å; L1030-Y1066 HydrophobicContact CD2-CE2 3.62Å; L1030-Y1066 HydrophobicContact CD2-CG 3.88Å; L1030-Y1066 HydrophobicContact CG-CE2 4.36Å; L1033-Y1066 HydrophobicContact CB-CD2 4.16Å; S1034-Y1066 WeakPolarHBondContact OG-CE2 3.29Å; I1062-Y1066 PolarHBondContact O-N 3.01Å; L1063-Y1066 PolarHBondContact O-N 3.06Å; Y1066-A1068 PolarHBondContact O-N 3Å; Y1066-V1069 PolarHBondContact O-N 2.94Å; Y1066-M1070 HydrophobicContact CD1-CG 3.93Å; Y1066-M1070 HydrophobicContact CE1-CG 3.74Å; Y1066-M1070 HydrophobicContact CE1-SD 4.17Å; Y1066-M1070 WeakPolarHBondContact O-CG 3.44Å; Y1066-M1070 PolarHBondContact O-N 2.95Å; Y1066-A1085 WeakPolarHBondContact OH-CB 3.27Å; Y1066-F1089 HydrophobicContact CD1-CE2 4.35Å; Y1066-F1089 HydrophobicContact CD2-CE2 4.2Å; Y1066-F1089 AromaticContact CD2-CZ 3.94Å; Y1066-F1089 HydrophobicContact CD2-CZ 3.94Å; Y1066-F1089 HydrophobicContact CE1-CE2 4.22Å; Y1066-F1089 HydrophobicContact CE2-CE2 4.05Å; Y1066-F1089 AromaticContact CE2-CZ 3.78Å; Y1066-F1089 HydrophobicContact CE2-CZ 3.78Å; Y1066-F1089 HydrophobicContact CG-CE2 4.35Å; Y1066-L1112 HydrophobicContact CD1-CD1 4.45Å; Y1066-L1112 HydrophobicContact CD1-CD2 4.49Å
1067E89.7Confident88.4Confident34 Ų3438.9 Ų38.916%0.15923%0.232CC..Hα-helixtrans-58.3-44.9173.8-165.8-175.9166.200112.3L1063 V1069 M1070 A1071 K1108 L1112 S1115L1063-E1067 PolarHBondContact O-N 3Å; E1067-V1069 VanDerWaalsContact C-N 3.34Å; E1067-V1069 PolarHBondContact O-N 3.36Å; E1067-M1070 PolarHBondContact O-N 3.46Å; E1067-A1071 WeakPolarHBondContact O-CB 3.2Å; E1067-A1071 PolarHBondContact O-N 2.78Å; E1067-K1108 IonicContact OE2-NZ 2.62Å; E1067-K1108 PolarHBondContact OE2-NZ 3.4Å; E1067-L1112 HydrophobicContact CB-CD2 3.84Å; E1067-L1112 HydrophobicContact CG-CD2 4.36Å; E1067-S1115 PolarHBondContact OE1-OG 3.12Å
1068A89.1Confident87.7Confident55 Ų5537.7 Ų37.746%0.45523%0.231SC..Hα-helixtrans-64.1-35.3178.800000113.2S1064 H1065 Y1066 A1072S1064-A1068 WeakPolarHBondContact O-CB 3.13Å; S1064-A1068 PolarHBondContact O-N 2.92Å; S1064-A1068 VanDerWaalsContact O-N 3.07Å; H1065-A1068 PolarHBondContact O-N 3.32Å; Y1066-A1068 PolarHBondContact O-N 3Å; A1068-A1072 WeakPolarHBondContact O-CB 3.42Å; A1068-A1072 PolarHBondContact O-N 3.33Å
1069V87.8Confident86.7Confident11 Ų1143.9 Ų43.97%0.06726%0.26CS..Hα-helixtrans-72.6-41.3175.3173.60000111.1L970 V1029 L1030 L1033 H1065 Y1066 E1067 A1071 A1072 F1073L970-V1069 HydrophobicContact CD1-CG2 3.83Å; V1029-V1069 HydrophobicContact CG1-CG1 4.28Å; V1029-V1069 HydrophobicContact CG1-CG2 4.02Å; L1030-V1069 HydrophobicContact CD1-CG1 4.38Å; L1030-V1069 HydrophobicContact CD2-CB 3.99Å; L1030-V1069 HydrophobicContact CD2-CG1 3.81Å; L1030-V1069 HydrophobicContact CG-CG1 3.83Å; L1033-V1069 HydrophobicContact CD1-CG2 4.47Å; H1065-V1069 WeakPolarHBondContact O-CG2 3.21Å; H1065-V1069 PolarHBondContact O-N 3.2Å; Y1066-V1069 PolarHBondContact O-N 2.94Å; E1067-V1069 VanDerWaalsContact C-N 3.34Å; E1067-V1069 PolarHBondContact O-N 3.36Å; V1069-A1071 VanDerWaalsContact C-N 3.34Å; V1069-A1071 PolarHBondContact O-N 2.67Å; V1069-A1072 PolarHBondContact O-N 2.87Å; V1069-F1073 HydrophobicContact CG1-CD2 4.25Å; V1069-F1073 PolarHBondContact O-N 3Å
1070M85.9Confident85.9Confident15 Ų1546.7 Ų46.77%0.07428%0.283CS..Hα-helixtrans-57.7-45.2172.5-73.1-68.1-61.700111.9L1030 Y1066 E1067 F1073 P1074 C1077L1030-M1070 HydrophobicContact CD1-SD 3.69Å; L1030-M1070 HydrophobicContact CD2-CG 3.92Å; L1030-M1070 HydrophobicContact CD2-SD 4.08Å; Y1066-M1070 HydrophobicContact CD1-CG 3.93Å; Y1066-M1070 HydrophobicContact CE1-CG 3.74Å; Y1066-M1070 HydrophobicContact CE1-SD 4.17Å; Y1066-M1070 WeakPolarHBondContact O-CG 3.44Å; Y1066-M1070 PolarHBondContact O-N 2.95Å; E1067-M1070 PolarHBondContact O-N 3.46Å; M1070-F1073 CarbonylContact O-C 3.6Å; M1070-P1074 WeakPolarHBondContact O-CA 3.43Å; M1070-C1077 HydrophobicContact CE-CB 3.76Å; M1070-C1077 HydrophobicContact SD-CB 3.59Å; M1070-C1077 VanDerWaalsContact SD-CB 3.59Å
1071A84.6Confident85.1Confident50 Ų5049.9 Ų49.941%0.41330%0.297SS..Hα-helixtrans-71.3-32.8179.200000113.3E1067 V1069E1067-A1071 WeakPolarHBondContact O-CB 3.2Å; E1067-A1071 PolarHBondContact O-N 2.78Å; V1069-A1071 VanDerWaalsContact C-N 3.34Å; V1069-A1071 PolarHBondContact O-N 2.67Å
1072A83.4Confident84.4Confident52 Ų5247.9 Ų47.943%0.4329%0.288SS..Hα-helixtrans-78.2-27.8178.200000113.5A1068 V1069A1068-A1072 WeakPolarHBondContact O-CB 3.42Å; A1068-A1072 PolarHBondContact O-N 3.33Å; V1069-A1072 PolarHBondContact O-N 2.87Å
1073F85.2Confident83.8Confident33 Ų3350.3 Ų50.315%0.14530%0.302CS..  trans-134.771.8-177.9-55.9-85.3000111.2L970 P971 A1024 V1069 M1070 D1075 S1076L970-F1073 HydrophobicContact CD1-CE2 4.21Å; L970-F1073 HydrophobicContact CD2-CE2 4.06Å; L970-F1073 HydrophobicContact CD2-CZ 4.36Å; P971-F1073 HydrophobicContact CG-CE1 4.47Å; P971-F1073 HydrophobicContact CG-CZ 4.42Å; A1024-F1073 HydrophobicContact CB-CD1 4.09Å; A1024-F1073 HydrophobicContact CB-CE1 3.75Å; A1024-F1073 HydrophobicContact CB-CZ 4.39Å; V1069-F1073 HydrophobicContact CG1-CD2 4.25Å; V1069-F1073 PolarHBondContact O-N 3Å; M1070-F1073 CarbonylContact O-C 3.6Å; F1073-D1075 VanDerWaalsContact C-N 3.29Å; F1073-D1075 PolarHBondContact O-N 3.26Å; F1073-S1076 WeakPolarHBondContact CB-OG 3.36Å; F1073-S1076 VanDerWaalsContact O-CB 3.25Å; F1073-S1076 WeakPolarHBondContact O-CB 3.3Å; F1073-S1076 PolarHBondContact O-N 3Å; F1073-S1076 PolarHBondContact O-OG 2.97Å
1074P78.9Confident83.2Confident83 Ų8355.6 Ų55.654%0.53933%0.33SS..G310 helixtrans-58.9-34.1-171.6-26.736.4000114.7M1070 S1076M1070-P1074 WeakPolarHBondContact O-CA 3.43Å; P1074-S1076 PolarHBondContact O-N 3Å; P1074-S1076 VanDerWaalsContact O-N 3.12Å
1075D78.7Confident82.8Confident166 Ų16654.1 Ų54.189%0.88832%0.32SS*.G310 helixtrans-70-4.1-179.9-57.4-58.2000113.9F1073 C1077F1073-D1075 VanDerWaalsContact C-N 3.29Å; F1073-D1075 PolarHBondContact O-N 3.26Å; D1075-C1077 VanDerWaalsContact C-N 3.35Å; D1075-C1077 PolarHBondContact O-N 3.32Å
1076S78.9Confident82.6Confident9 Ų954 Ų546%0.06332%0.318CS..G310 helixtrans-72.4-24.2-176.2-49.40000114S1026 Q1027 F1073 P1074S1026-S1076 WeakPolarHBondContact CB-OG 3.4Å; S1026-S1076 WeakPolarHBondContact OG-CB 3.46Å; S1026-S1076 PolarHBondContact OG-OG 3.03Å; Q1027-S1076 WeakPolarHBondContact CG-O 3.48Å; Q1027-S1076 PolarHBondContact NE2-O 3.18Å; F1073-S1076 WeakPolarHBondContact CB-OG 3.36Å; F1073-S1076 VanDerWaalsContact O-CB 3.25Å; F1073-S1076 WeakPolarHBondContact O-CB 3.3Å; F1073-S1076 PolarHBondContact O-N 3Å; F1073-S1076 PolarHBondContact O-OG 2.97Å; P1074-S1076 PolarHBondContact O-N 3Å; P1074-S1076 VanDerWaalsContact O-N 3.12Å
1077C78.1Confident82.4Confident22 Ų2259.7 Ų59.715%0.14934%0.344CS..SBendtrans-151.5121.5-167.9178.40000109.6L1030 M1070 D1075 E1081 S1082L1030-C1077 HydrophobicContact CD1-CB 4.3Å; M1070-C1077 HydrophobicContact CE-CB 3.76Å; M1070-C1077 HydrophobicContact SD-CB 3.59Å; M1070-C1077 VanDerWaalsContact SD-CB 3.59Å; D1075-C1077 VanDerWaalsContact C-N 3.35Å; D1075-C1077 PolarHBondContact O-N 3.32Å; C1077-E1081 VanDerWaalsContact SG-CB 3.56Å; C1077-S1082 PolarHBondContact SG-N 3.28Å; C1077-S1082 VanDerWaalsContact SG-N 3.41Å
1078S79.1Confident82.4Confident56 Ų5662 Ų6239%0.39235%0.354SS..  trans-67.8163.1176.7700000111.8A1080 E1081 S1082S1078-A1080 PolarHBondContact O-N 3.42Å; S1078-E1081 WeakPolarHBondContact CB-OE2 3.28Å; S1078-E1081 PolarHBondContact N-OE2 3Å; S1078-E1081 PolarHBondContact O-N 3.07Å; S1078-E1081 WeakPolarHBondContact OG-CG 3.22Å; S1078-E1081 PolarHBondContact OG-N 2.92Å; S1078-E1081 PolarHBondContact OG-OE2 2.62Å; S1078-S1082 WeakPolarHBondContact O-CB 3.49Å; S1078-S1082 PolarHBondContact O-N 3.26Å
1079H73.9Confident82.5Confident131 Ų13159.4 Ų59.461%0.60633%0.332SS*.Hα-helixtrans-57.1-34.4175.9-165.6-55.1000112.2D1083H1079-D1083 IonicContact CE1-OD1 3.77Å; H1079-D1083 IonicContact CE1-OD2 3.12Å; H1079-D1083 PolarHBondContact CE1-OD2 2.96Å; H1079-D1083 IonicContact ND1-OD1 3.87Å; H1079-D1083 IonicContact ND1-OD2 2.79Å; H1079-D1083 PolarHBondContact ND1-OD2 3.16Å; H1079-D1083 WeakPolarHBondContact O-CB 3.42Å; H1079-D1083 VanDerWaalsContact O-CG 3.26Å; H1079-D1083 PolarHBondContact O-N 2.83Å
1080A77.6Confident82.6Confident59 Ų5960.8 Ų60.849%0.48834%0.341SS..Hα-helixtrans-68-50.1176.900000111.6S1078 S1082 D1083 D1084S1078-A1080 PolarHBondContact O-N 3.42Å; A1080-S1082 PolarHBondContact O-N 2.99Å; A1080-D1083 PolarHBondContact O-N 3.45Å; A1080-D1083 VanDerWaalsContact O-N 3.11Å; A1080-D1084 PolarHBondContact O-N 3.19Å
1081E78.3Confident82.9Confident102 Ų10263.4 Ų63.448%0.47736%0.358SS..Hα-helixtrans-62.3-32.5176.8-67.6157.9131.600111.7C1077 S1078 A1085C1077-E1081 VanDerWaalsContact SG-CB 3.56Å; S1078-E1081 WeakPolarHBondContact CB-OE2 3.28Å; S1078-E1081 PolarHBondContact N-OE2 3Å; S1078-E1081 PolarHBondContact O-N 3.07Å; S1078-E1081 WeakPolarHBondContact OG-CG 3.22Å; S1078-E1081 PolarHBondContact OG-N 2.92Å; S1078-E1081 PolarHBondContact OG-OE2 2.62Å; E1081-A1085 VanDerWaalsContact O-CB 3.26Å; E1081-A1085 WeakPolarHBondContact O-CB 3.49Å; E1081-A1085 PolarHBondContact O-N 2.91Å
1082S80.3Confident83Confident9 Ų962.2 Ų62.26%0.06334%0.344CS..Hα-helixtrans-71.8-35.5174.7-1730000113C1077 S1078 A1080 R1086 V1113C1077-S1082 PolarHBondContact SG-N 3.28Å; C1077-S1082 VanDerWaalsContact SG-N 3.41Å; S1078-S1082 WeakPolarHBondContact O-CB 3.49Å; S1078-S1082 PolarHBondContact O-N 3.26Å; A1080-S1082 PolarHBondContact O-N 2.99Å; S1082-R1086 WeakPolarHBondContact O-CB 3.29Å; S1082-R1086 PolarHBondContact O-N 3.39Å; S1082-R1086 VanDerWaalsContact O-N 3.1Å; S1082-V1113 VanDerWaalsContact OG-CG2 3.27Å; S1082-V1113 WeakPolarHBondContact OG-CG2 3.31Å
1083D80.9Confident83.4Confident54 Ų5459.8 Ų59.829%0.28932%0.324SS..Hα-helixtrans-70.3-41.8173.4-74.3-35.7000111.1H1079 A1080 R1086 H1087H1079-D1083 IonicContact CE1-OD1 3.77Å; H1079-D1083 IonicContact CE1-OD2 3.12Å; H1079-D1083 PolarHBondContact CE1-OD2 2.96Å; H1079-D1083 IonicContact ND1-OD1 3.87Å; H1079-D1083 IonicContact ND1-OD2 2.79Å; H1079-D1083 PolarHBondContact ND1-OD2 3.16Å; H1079-D1083 WeakPolarHBondContact O-CB 3.42Å; H1079-D1083 VanDerWaalsContact O-CG 3.26Å; H1079-D1083 PolarHBondContact O-N 2.83Å; A1080-D1083 PolarHBondContact O-N 3.45Å; A1080-D1083 VanDerWaalsContact O-N 3.11Å; D1083-R1086 WeakPolarHBondContact O-CB 3.48Å; D1083-R1086 PolarHBondContact O-N 3.28Å; D1083-R1086 IonicContact OD1-CZ 3.15Å; D1083-R1086 IonicContact OD1-NH1 2.68Å; D1083-R1086 PolarHBondContact OD1-NH1 3.44Å; D1083-R1086 IonicContact OD1-NH2 2.72Å; D1083-R1086 PolarHBondContact OD1-NH2 3.15Å; D1083-H1087 PolarHBondContact O-N 3.14Å
1084D83.3Confident83.7Confident112 Ų11261.9 Ų61.960%0.59934%0.337SS*.Hα-helixtrans-63.8-43.1175.3-77-25.8000111.7A1080 R1086 H1087 F1088A1080-D1084 PolarHBondContact O-N 3.19Å; D1084-R1086 VanDerWaalsContact C-N 3.33Å; D1084-R1086 PolarHBondContact O-N 3.19Å; D1084-H1087 PolarHBondContact O-N 3.04Å; D1084-F1088 WeakPolarHBondContact O-CB 3.29Å; D1084-F1088 PolarHBondContact O-N 3.35Å
1085A84.2Confident84.1Confident15 Ų1563 Ų6312%0.12434%0.338CS..Hα-helixtrans-61.2-40.6172.900000111.8Y1066 E1081 F1088 F1089Y1066-A1085 WeakPolarHBondContact OH-CB 3.27Å; E1081-A1085 VanDerWaalsContact O-CB 3.26Å; E1081-A1085 WeakPolarHBondContact O-CB 3.49Å; E1081-A1085 PolarHBondContact O-N 2.91Å; A1085-F1088 PolarHBondContact O-N 2.97Å; A1085-F1089 HydrophobicContact CB-CE2 4.46Å; A1085-F1089 VanDerWaalsContact O-CD2 3.28Å; A1085-F1089 WeakPolarHBondContact O-CD2 3.08Å; A1085-F1089 VanDerWaalsContact O-CG 3.29Å; A1085-F1089 WeakPolarHBondContact O-CG 3.43Å; A1085-F1089 PolarHBondContact O-N 3.46Å
1086R85.1Confident84.5Confident56 Ų5655.4 Ų55.421%0.21130%0.298CS..Hα-helixtrans-63.7-42.4174.7-161.8-168.4-48.8105.19.2111.6S1082 D1083 D1084 T1090 I1109 V1113S1082-R1086 WeakPolarHBondContact O-CB 3.29Å; S1082-R1086 PolarHBondContact O-N 3.39Å; S1082-R1086 VanDerWaalsContact O-N 3.1Å; D1083-R1086 WeakPolarHBondContact O-CB 3.48Å; D1083-R1086 PolarHBondContact O-N 3.28Å; D1083-R1086 IonicContact OD1-CZ 3.15Å; D1083-R1086 IonicContact OD1-NH1 2.68Å; D1083-R1086 PolarHBondContact OD1-NH1 3.44Å; D1083-R1086 IonicContact OD1-NH2 2.72Å; D1083-R1086 PolarHBondContact OD1-NH2 3.15Å; D1084-R1086 VanDerWaalsContact C-N 3.33Å; D1084-R1086 PolarHBondContact O-N 3.19Å; R1086-T1090 VanDerWaalsContact O-CB 3.27Å; R1086-T1090 WeakPolarHBondContact O-CB 3.13Å; R1086-T1090 PolarHBondContact O-N 2.93Å; R1086-T1090 PolarHBondContact O-OG1 2.74Å; R1086-I1109 HydrophobicContact CB-CG2 4.49Å; R1086-I1109 HydrophobicContact CG-CG2 3.49Å; R1086-I1109 VanDerWaalsContact CG-CG2 3.49Å; R1086-I1109 WeakPolarHBondContact CG-O 3.21Å; R1086-V1113 VanDerWaalsContact NH2-CG2 3.25Å
1087H87.8Confident84.7Confident129 Ų12960 Ų6060%0.59733%0.329SS*.Hα-helixtrans-63.5-43.2175.8-179.5-91000111.5D1083 D1084 T1090 T1091D1083-H1087 PolarHBondContact O-N 3.14Å; D1084-H1087 PolarHBondContact O-N 3.04Å; H1087-T1090 PolarHBondContact O-N 3.46Å; H1087-T1091 WeakPolarHBondContact O-CB 3.31Å; H1087-T1091 PolarHBondContact O-N 2.95Å; H1087-T1091 PolarHBondContact O-OG1 3.33Å
1088F88.6Confident85.2Confident83 Ų8362 Ų6236%0.36434%0.338SS..Hα-helixtrans-60.8-51.8175.5176-105.6000112.3C1038 D1084 A1085 T1090 T1091 I1092C1038-F1088 HydrophobicContact CB-CZ 4.43Å; D1084-F1088 WeakPolarHBondContact O-CB 3.29Å; D1084-F1088 PolarHBondContact O-N 3.35Å; A1085-F1088 PolarHBondContact O-N 2.97Å; F1088-T1090 VanDerWaalsContact C-N 3.31Å; F1088-T1090 PolarHBondContact O-N 3.37Å; F1088-T1091 PolarHBondContact O-N 3.14Å; F1088-I1092 HydrophobicContact CD1-CD1 4.01Å; F1088-I1092 HydrophobicContact CD2-CD1 4.11Å; F1088-I1092 HydrophobicContact CE1-CD1 3.54Å; F1088-I1092 HydrophobicContact CE2-CD1 3.65Å; F1088-I1092 HydrophobicContact CG-CD1 4.28Å; F1088-I1092 HydrophobicContact CZ-CD1 3.35Å; F1088-I1092 WeakPolarHBondContact O-CG1 3.31Å; F1088-I1092 PolarHBondContact O-N 2.8Å
1089F92.5Very high85.6Confident1 Ų165.6 Ų65.60%0.00435%0.349CS..Hα-helixtrans-61.5-39.2177.1-63.8-33.3000112.5S1034 F1037 L1063 Y1066 A1085 T1093 I1109 L1112S1034-F1089 VanDerWaalsContact OG-CZ 3.3Å; S1034-F1089 WeakPolarHBondContact OG-CZ 3.15Å; F1037-F1089 HydrophobicContact CB-CE1 4.31Å; F1037-F1089 AromaticContact CD1-CD1 3.47Å; F1037-F1089 HydrophobicContact CD1-CD1 3.47Å; F1037-F1089 VanDerWaalsContact CD1-CD1 3.47Å; F1037-F1089 AromaticContact CD1-CE1 3.97Å; F1037-F1089 HydrophobicContact CD1-CE1 3.97Å; F1037-F1089 HydrophobicContact CD1-CG 4.26Å; F1037-F1089 HydrophobicContact CE1-CB 4.01Å; F1037-F1089 AromaticContact CE1-CD1 3.81Å; F1037-F1089 HydrophobicContact CE1-CD1 3.81Å; F1037-F1089 HydrophobicContact CE1-CG 4.19Å; F1037-F1089 HydrophobicContact CG-CD1 4.17Å; F1037-F1089 HydrophobicContact CG-CE1 4.29Å; L1063-F1089 HydrophobicContact CD2-CD2 3.94Å; L1063-F1089 HydrophobicContact CD2-CE2 4.16Å; L1063-F1089 HydrophobicContact CD2-CG 4.32Å; Y1066-F1089 HydrophobicContact CD1-CE2 4.35Å; Y1066-F1089 HydrophobicContact CD2-CE2 4.2Å; Y1066-F1089 AromaticContact CD2-CZ 3.94Å; Y1066-F1089 HydrophobicContact CD2-CZ 3.94Å; Y1066-F1089 HydrophobicContact CE1-CE2 4.22Å; Y1066-F1089 HydrophobicContact CE2-CE2 4.05Å; Y1066-F1089 AromaticContact CE2-CZ 3.78Å; Y1066-F1089 HydrophobicContact CE2-CZ 3.78Å; Y1066-F1089 HydrophobicContact CG-CE2 4.35Å; A1085-F1089 HydrophobicContact CB-CE2 4.46Å; A1085-F1089 VanDerWaalsContact O-CD2 3.28Å; A1085-F1089 WeakPolarHBondContact O-CD2 3.08Å; A1085-F1089 VanDerWaalsContact O-CG 3.29Å; A1085-F1089 WeakPolarHBondContact O-CG 3.43Å; A1085-F1089 PolarHBondContact O-N 3.46Å; F1089-T1093 VanDerWaalsContact O-CB 3.27Å; F1089-T1093 WeakPolarHBondContact O-CB 3.25Å; F1089-T1093 PolarHBondContact O-N 2.63Å; F1089-T1093 PolarHBondContact O-OG1 3.06Å; F1089-I1109 HydrophobicContact CB-CD1 3.79Å; F1089-I1109 HydrophobicContact CB-CG1 3.97Å; F1089-I1109 HydrophobicContact CB-CG2 4.08Å; F1089-L1112 HydrophobicContact CD2-CD1 3.93Å; F1089-L1112 HydrophobicContact CE2-CD1 4.12Å
1090T90.4Very high86.3Confident39 Ų3965.8 Ų65.824%0.23935%0.35CS..Hα-helixtrans-60.4-52.4174.2-60.70000110.6R1086 H1087 F1088 I1092 T1093 D1094R1086-T1090 VanDerWaalsContact O-CB 3.27Å; R1086-T1090 WeakPolarHBondContact O-CB 3.13Å; R1086-T1090 PolarHBondContact O-N 2.93Å; R1086-T1090 PolarHBondContact O-OG1 2.74Å; H1087-T1090 PolarHBondContact O-N 3.46Å; F1088-T1090 VanDerWaalsContact C-N 3.31Å; F1088-T1090 PolarHBondContact O-N 3.37Å; T1090-I1092 VanDerWaalsContact C-N 3.28Å; T1090-I1092 PolarHBondContact O-N 3Å; T1090-T1093 CarbonylContact O-C 3.21Å; T1090-T1093 PolarHBondContact O-N 3.12Å; T1090-T1093 VanDerWaalsContact O-N 3.16Å; T1090-D1094 PolarHBondContact O-N 3.06Å
1091T90.7Very high86.9Confident70 Ų7063.9 Ų63.943%0.42933%0.331SS..Hα-helixtrans-59.9-35.2-179.1-56.60000112.7H1087 F1088 N1095H1087-T1091 WeakPolarHBondContact O-CB 3.31Å; H1087-T1091 PolarHBondContact O-N 2.95Å; H1087-T1091 PolarHBondContact O-OG1 3.33Å; F1088-T1091 PolarHBondContact O-N 3.14Å; T1091-N1095 PolarHBondContact O-ND2 3.27Å
1092I88Confident87.6Confident26 Ų2660.6 Ų60.613%0.13332%0.315CS..Hα-helixtrans-71.7-50.3174.5-72.7172.2000110.8F1037 C1038 Q1041 F1088 T1090 D1094 N1095F1037-I1092 HydrophobicContact CE1-CG2 4.28Å; C1038-I1092 HydrophobicContact CB-CD1 3.96Å; Q1041-I1092 HydrophobicContact CB-CG2 3.33Å; Q1041-I1092 HydrophobicContact CG-CG2 3.73Å; F1088-I1092 HydrophobicContact CD1-CD1 4.01Å; F1088-I1092 HydrophobicContact CD2-CD1 4.11Å; F1088-I1092 HydrophobicContact CE1-CD1 3.54Å; F1088-I1092 HydrophobicContact CE2-CD1 3.65Å; F1088-I1092 HydrophobicContact CG-CD1 4.28Å; F1088-I1092 HydrophobicContact CZ-CD1 3.35Å; F1088-I1092 WeakPolarHBondContact O-CG1 3.31Å; F1088-I1092 PolarHBondContact O-N 2.8Å; T1090-I1092 VanDerWaalsContact C-N 3.28Å; T1090-I1092 PolarHBondContact O-N 3Å; I1092-D1094 PolarHBondContact O-N 3.03Å; I1092-N1095 PolarHBondContact O-N 2.84Å; I1092-N1095 PolarHBondContact O-ND2 3.46Å
1093T91.2Very high88.2Confident0 Ų062.7 Ų62.70%033%0.334CS..Hα-helixtrans-59-28178.4-590000112F1089 T1090 N1095 L1096 K1102 L1105 I1109F1089-T1093 VanDerWaalsContact O-CB 3.27Å; F1089-T1093 WeakPolarHBondContact O-CB 3.25Å; F1089-T1093 PolarHBondContact O-N 2.63Å; F1089-T1093 PolarHBondContact O-OG1 3.06Å; T1090-T1093 CarbonylContact O-C 3.21Å; T1090-T1093 PolarHBondContact O-N 3.12Å; T1090-T1093 VanDerWaalsContact O-N 3.16Å; T1093-N1095 PolarHBondContact O-N 2.88Å; T1093-N1095 VanDerWaalsContact O-N 3.14Å; T1093-L1096 HydrophobicContact CG2-CD1 4.17Å; T1093-L1096 WeakPolarHBondContact O-CB 3.49Å; T1093-L1096 WeakPolarHBondContact O-CG 3.26Å; T1093-L1096 PolarHBondContact O-N 2.83Å; T1093-L1096 VanDerWaalsContact O-N 3.08Å; T1093-K1102 HydrophobicContact CG2-CG 4.31Å; T1093-L1105 HydrophobicContact CG2-CB 3.57Å; T1093-L1105 HydrophobicContact CG2-CD1 4.17Å; T1093-I1109 HydrophobicContact CG2-CD1 4.46Å; T1093-I1109 VanDerWaalsContact OG1-CD1 3.31Å; T1093-I1109 WeakPolarHBondContact OG1-CD1 3.45Å
1094D90.7Very high88.7Confident78 Ų7862 Ų6242%0.41733%0.331SS..THydrogen-bonded Turntrans-59.2-25.3179.1-103-57.7000114T1090 I1092 L1096 K1102 H1106T1090-D1094 PolarHBondContact O-N 3.06Å; I1092-D1094 PolarHBondContact O-N 3.03Å; D1094-L1096 VanDerWaalsContact C-N 3.29Å; D1094-L1096 PolarHBondContact O-N 3.26Å; D1094-K1102 PolarHBondContact O-NZ 3.19Å; D1094-K1102 WeakPolarHBondContact OD1-CE 3.5Å; D1094-K1102 IonicContact OD1-NZ 2.67Å; D1094-K1102 PolarHBondContact OD1-NZ 3.41Å; D1094-H1106 IonicContact OD2-CE1 3.78Å
1095N88.3Confident89.2Confident106 Ų10656.7 Ų56.757%0.56730%0.303SS*.THydrogen-bonded Turntrans-78.1-8.5179.2-56-79.7000113.8V1045 T1091 I1092 T1093 S1097V1045-N1095 HydrophobicContact CG2-CB 3.91Å; T1091-N1095 PolarHBondContact O-ND2 3.27Å; I1092-N1095 PolarHBondContact O-N 2.84Å; I1092-N1095 PolarHBondContact O-ND2 3.46Å; T1093-N1095 PolarHBondContact O-N 2.88Å; T1093-N1095 VanDerWaalsContact O-N 3.14Å; N1095-S1097 PolarHBondContact O-N 2.89Å
1096L87.6Confident89.6Confident7 Ų758 Ų584%0.03731%0.306CS..  trans-67.2129.7179.3-70.2-175.1000112.5Q1044 V1045 T1093 D1094 K1102 L1105Q1044-L1096 HydrophobicContact CB-CD2 4.18Å; Q1044-L1096 HydrophobicContact CG-CD2 3.59Å; V1045-L1096 HydrophobicContact CG2-CD2 4.1Å; T1093-L1096 HydrophobicContact CG2-CD1 4.17Å; T1093-L1096 WeakPolarHBondContact O-CB 3.49Å; T1093-L1096 WeakPolarHBondContact O-CG 3.26Å; T1093-L1096 PolarHBondContact O-N 2.83Å; T1093-L1096 VanDerWaalsContact O-N 3.08Å; D1094-L1096 VanDerWaalsContact C-N 3.29Å; D1094-L1096 PolarHBondContact O-N 3.26Å; L1096-K1102 HydrophobicContact CB-CB 4.11Å; L1096-K1102 HydrophobicContact CD1-CB 4.43Å; L1096-L1105 HydrophobicContact CD1-CD1 3.54Å
1097S83Confident89.9Confident105 Ų10561 Ų6173%0.73432%0.323SS*.SBendtrans-70.8-37.9175.256.50000113N1095 Q1099N1095-S1097 PolarHBondContact O-N 2.89Å; S1097-Q1099 PolarHBondContact O-N 2.92Å; S1097-Q1099 PolarHBondContact O-NE2 2.76Å
1098N87.4Confident90.1Very high63 Ų6356.5 Ų56.534%0.33730%0.302SS..  trans-76.7104-179.6-174.9-27.7000111.5H1100 M1101 K1102N1098-H1100 VanDerWaalsContact C-N 3.27Å; N1098-H1100 PolarHBondContact O-N 2.9Å; N1098-H1100 PolarHBondContact OD1-N 3.37Å; N1098-M1101 HydrophobicContact CB-CB 4.17Å; N1098-M1101 HydrophobicContact CB-CG 4.25Å; N1098-M1101 HydrophobicContact CB-SD 4.03Å; N1098-M1101 PolarHBondContact ND2-SD 3.42Å; N1098-M1101 VanDerWaalsContact ND2-SD 3.42Å; N1098-M1101 PolarHBondContact O-N 2.83Å; N1098-M1101 PolarHBondContact OD1-N 2.73Å; N1098-K1102 VanDerWaalsContact O-CB 3.29Å; N1098-K1102 WeakPolarHBondContact O-CB 3.36Å; N1098-K1102 PolarHBondContact O-N 3.24Å
1099Q87.3Confident90.3Very high132 Ų13252.6 Ų52.662%0.61728%0.284SS*.Hα-helixtrans-59.7-30.9-177.6-59.5-55.7-59.100114.1S1097 A1103S1097-Q1099 PolarHBondContact O-N 2.92Å; S1097-Q1099 PolarHBondContact O-NE2 2.76Å; Q1099-A1103 VanDerWaalsContact O-CB 3.31Å; Q1099-A1103 WeakPolarHBondContact O-CB 3.44Å; Q1099-A1103 PolarHBondContact O-N 2.71Å
1100H89.3Confident90Very high135 Ų13557.1 Ų57.163%0.62531%0.312SS*.Hα-helixtrans-73.4-48.5178.8-179.757000111.3N1098 K1102 A1103 V1104N1098-H1100 VanDerWaalsContact C-N 3.27Å; N1098-H1100 PolarHBondContact O-N 2.9Å; N1098-H1100 PolarHBondContact OD1-N 3.37Å; H1100-K1102 VanDerWaalsContact C-N 3.32Å; H1100-K1102 PolarHBondContact O-N 2.88Å; H1100-A1103 PolarHBondContact O-N 2.98Å; H1100-V1104 WeakPolarHBondContact O-CG2 3.46Å; H1100-V1104 PolarHBondContact O-N 3.24Å
1101M90.6Very high89.6Confident19 Ų1959 Ų599%0.09432%0.318CS..Hα-helixtrans-60-44.3175.6-69.4175.7170.100111.2Q1044 E1053 F1056 N1098 V1104 L1105Q1044-M1101 PolarHBondContact NE2-SD 2.99Å; Q1044-M1101 VanDerWaalsContact NE2-SD 3.42Å; E1053-M1101 HydrophobicContact CB-CE 4.19Å; F1056-M1101 HydrophobicContact CB-CE 4Å; F1056-M1101 HydrophobicContact CB-CG 4.22Å; F1056-M1101 HydrophobicContact CB-SD 3.9Å; F1056-M1101 HydrophobicContact CD1-CE 4.17Å; F1056-M1101 HydrophobicContact CD1-CG 4.08Å; F1056-M1101 HydrophobicContact CD2-CB 3.58Å; F1056-M1101 HydrophobicContact CD2-CG 3.66Å; F1056-M1101 HydrophobicContact CD2-SD 4.41Å; F1056-M1101 HydrophobicContact CE1-CG 4.34Å; F1056-M1101 HydrophobicContact CE2-CB 3.76Å; F1056-M1101 HydrophobicContact CE2-CG 3.94Å; F1056-M1101 WeakPolarHBondContact CE2-O 3.38Å; F1056-M1101 HydrophobicContact CG-CB 4.16Å; F1056-M1101 HydrophobicContact CG-CE 4.17Å; F1056-M1101 HydrophobicContact CG-CG 3.72Å; F1056-M1101 HydrophobicContact CG-SD 4.07Å; F1056-M1101 HydrophobicContact CZ-CB 4.47Å; F1056-M1101 HydrophobicContact CZ-CG 4.26Å; N1098-M1101 HydrophobicContact CB-CB 4.17Å; N1098-M1101 HydrophobicContact CB-CG 4.25Å; N1098-M1101 HydrophobicContact CB-SD 4.03Å; N1098-M1101 PolarHBondContact ND2-SD 3.42Å; N1098-M1101 VanDerWaalsContact ND2-SD 3.42Å; N1098-M1101 PolarHBondContact O-N 2.83Å; N1098-M1101 PolarHBondContact OD1-N 2.73Å; M1101-V1104 PolarHBondContact O-N 2.87Å; M1101-L1105 WeakPolarHBondContact O-CB 3.4Å; M1101-L1105 WeakPolarHBondContact O-CG 3.39Å; M1101-L1105 PolarHBondContact O-N 2.95Å
1102K92.2Very high89Confident33 Ų3356 Ų5614%0.14330%0.3CS..Hα-helixtrans-55.2-51.1173.9179.6167.9175.2168.70112.1T1093 D1094 L1096 N1098 H1100 V1104 L1105 H1106T1093-K1102 HydrophobicContact CG2-CG 4.31Å; D1094-K1102 PolarHBondContact O-NZ 3.19Å; D1094-K1102 WeakPolarHBondContact OD1-CE 3.5Å; D1094-K1102 IonicContact OD1-NZ 2.67Å; D1094-K1102 PolarHBondContact OD1-NZ 3.41Å; L1096-K1102 HydrophobicContact CB-CB 4.11Å; L1096-K1102 HydrophobicContact CD1-CB 4.43Å; N1098-K1102 VanDerWaalsContact O-CB 3.29Å; N1098-K1102 WeakPolarHBondContact O-CB 3.36Å; N1098-K1102 PolarHBondContact O-N 3.24Å; H1100-K1102 VanDerWaalsContact C-N 3.32Å; H1100-K1102 PolarHBondContact O-N 2.88Å; K1102-V1104 PolarHBondContact O-N 3.47Å; K1102-L1105 PolarHBondContact O-N 3.32Å; K1102-H1106 WeakPolarHBondContact CE-NE2 3.27Å; K1102-H1106 VanDerWaalsContact CG-NE2 3.31Å; K1102-H1106 WeakPolarHBondContact CG-NE2 3.34Å; K1102-H1106 PolarHBondContact O-CD2 3.45Å; K1102-H1106 PolarHBondContact O-N 3.23Å
1103A92.5Very high87.6Confident54 Ų5456.9 Ų56.945%0.44631%0.306SS..Hα-helixtrans-62-42.4179.900000113.2Q1099 H1100 H1106 Q1107Q1099-A1103 VanDerWaalsContact O-CB 3.31Å; Q1099-A1103 WeakPolarHBondContact O-CB 3.44Å; Q1099-A1103 PolarHBondContact O-N 2.71Å; H1100-A1103 PolarHBondContact O-N 2.98Å; A1103-H1106 PolarHBondContact O-N 2.85Å; A1103-Q1107 PolarHBondContact O-N 2.71Å
1104V93.3Very high85.8Confident40 Ų4061.2 Ų61.224%0.24234%0.336CS..Hα-helixtrans-68-38.6178.5176.70000111.5F1056 L1060 H1100 M1101 K1102 Q1107 K1108F1056-V1104 HydrophobicContact CE2-CB 4.13Å; F1056-V1104 HydrophobicContact CE2-CG1 4.26Å; F1056-V1104 HydrophobicContact CZ-CB 3.95Å; F1056-V1104 HydrophobicContact CZ-CG1 3.88Å; L1060-V1104 HydrophobicContact CD1-CG1 4.19Å; L1060-V1104 HydrophobicContact CD2-CG1 4.25Å; H1100-V1104 WeakPolarHBondContact O-CG2 3.46Å; H1100-V1104 PolarHBondContact O-N 3.24Å; M1101-V1104 PolarHBondContact O-N 2.87Å; K1102-V1104 PolarHBondContact O-N 3.47Å; V1104-Q1107 PolarHBondContact O-N 3.47Å; V1104-K1108 PolarHBondContact O-N 3Å
1105L93Very high83.6Confident0 Ų060 Ų600%033%0.334CS..Hα-helixtrans-65-46.3173.8-77.2166.3000111.7F1037 F1056 L1060 L1063 T1093 L1096 M1101 K1102 Q1107 K1108 I1109F1037-L1105 HydrophobicContact CE2-CD2 4.22Å; F1056-L1105 HydrophobicContact CD2-CD1 4.01Å; F1056-L1105 HydrophobicContact CD2-CG 4.1Å; F1056-L1105 HydrophobicContact CE2-CD1 4.37Å; F1056-L1105 HydrophobicContact CE2-CG 4.02Å; L1060-L1105 HydrophobicContact CD2-CD2 3.79Å; L1060-L1105 HydrophobicContact CD2-CG 4.49Å; L1060-L1105 HydrophobicContact CG-CD2 4.08Å; L1063-L1105 HydrophobicContact CD1-CD2 3.67Å; T1093-L1105 HydrophobicContact CG2-CB 3.57Å; T1093-L1105 HydrophobicContact CG2-CD1 4.17Å; L1096-L1105 HydrophobicContact CD1-CD1 3.54Å; M1101-L1105 WeakPolarHBondContact O-CB 3.4Å; M1101-L1105 WeakPolarHBondContact O-CG 3.39Å; M1101-L1105 PolarHBondContact O-N 2.95Å; K1102-L1105 PolarHBondContact O-N 3.32Å; L1105-Q1107 VanDerWaalsContact C-N 3.29Å; L1105-Q1107 PolarHBondContact O-N 3.42Å; L1105-K1108 PolarHBondContact O-N 2.67Å; L1105-K1108 VanDerWaalsContact O-N 3.14Å; L1105-I1109 HydrophobicContact CB-CD1 4.47Å; L1105-I1109 WeakPolarHBondContact O-CB 3.39Å; L1105-I1109 WeakPolarHBondContact O-CD1 3.42Å; L1105-I1109 WeakPolarHBondContact O-CG1 3.16Å; L1105-I1109 PolarHBondContact O-N 3.33Å
1106H92.9Very high81.3Confident41 Ų4158.2 Ų58.219%0.1933%0.334CS..Hα-helixtrans-58.8-38.5174.2-69.9-60.9000112.6D1094 K1102 A1103 T1110D1094-H1106 IonicContact OD2-CE1 3.78Å; K1102-H1106 WeakPolarHBondContact CE-NE2 3.27Å; K1102-H1106 VanDerWaalsContact CG-NE2 3.31Å; K1102-H1106 WeakPolarHBondContact CG-NE2 3.34Å; K1102-H1106 PolarHBondContact O-CD2 3.45Å; K1102-H1106 PolarHBondContact O-N 3.23Å; A1103-H1106 PolarHBondContact O-N 2.85Å; H1106-T1110 WeakPolarHBondContact O-CB 3.48Å; H1106-T1110 PolarHBondContact O-N 2.89Å; H1106-T1110 PolarHBondContact O-OG1 3.22Å
1107Q91.6Very high78.6Confident120 Ų12065.7 Ų65.756%0.56140%0.397SS*.Hα-helixtrans-60.7-47.7174-176.7179.2-3.900111.4A1103 V1104 L1105 T1110 Q1111A1103-Q1107 PolarHBondContact O-N 2.71Å; V1104-Q1107 PolarHBondContact O-N 3.47Å; L1105-Q1107 VanDerWaalsContact C-N 3.29Å; L1105-Q1107 PolarHBondContact O-N 3.42Å; Q1107-T1110 PolarHBondContact O-N 3.29Å; Q1107-Q1111 WeakPolarHBondContact O-CG 3.27Å; Q1107-Q1111 PolarHBondContact O-N 2.88Å
1108K91.6Very high78.4Confident35 Ų3563.7 Ų63.715%0.15238%0.38CS..Hα-helixtrans-66.6-40.1178.8-177.154.8169.9175.10112.5L1060 L1063 S1064 E1067 V1104 L1105 T1110 Q1111L1060-K1108 HydrophobicContact CD2-CB 3.9Å; L1060-K1108 HydrophobicContact CD2-CG 4.04Å; L1063-K1108 HydrophobicContact CB-CG 3.93Å; L1063-K1108 HydrophobicContact CD1-CB 4.3Å; L1063-K1108 HydrophobicContact CD1-CG 3.99Å; S1064-K1108 WeakPolarHBondContact OG-CE 3.22Å; S1064-K1108 PolarHBondContact OG-NZ 2.94Å; E1067-K1108 IonicContact OE2-NZ 2.62Å; E1067-K1108 PolarHBondContact OE2-NZ 3.4Å; V1104-K1108 PolarHBondContact O-N 3Å; L1105-K1108 PolarHBondContact O-N 2.67Å; L1105-K1108 VanDerWaalsContact O-N 3.14Å; K1108-T1110 VanDerWaalsContact C-N 3.3Å; K1108-T1110 PolarHBondContact O-N 2.58Å; K1108-Q1111 PolarHBondContact O-N 2.83Å; K1108-Q1111 VanDerWaalsContact O-N 3.15Å
1109I92.1Very high77.9Confident0 Ų063.7 Ų63.70%038%0.382CS..Hα-helixtrans-61.9-38.3175-69.6161.9000111F1037 L1063 R1086 F1089 T1093 L1105 Q1111 L1112F1037-I1109 HydrophobicContact CZ-CD1 4.25Å; L1063-I1109 HydrophobicContact CD1-CD1 4.39Å; L1063-I1109 HydrophobicContact CD1-CG1 3.75Å; L1063-I1109 HydrophobicContact CD2-CG1 4Å; R1086-I1109 HydrophobicContact CB-CG2 4.49Å; R1086-I1109 HydrophobicContact CG-CG2 3.49Å; R1086-I1109 VanDerWaalsContact CG-CG2 3.49Å; R1086-I1109 WeakPolarHBondContact CG-O 3.21Å; F1089-I1109 HydrophobicContact CB-CD1 3.79Å; F1089-I1109 HydrophobicContact CB-CG1 3.97Å; F1089-I1109 HydrophobicContact CB-CG2 4.08Å; T1093-I1109 HydrophobicContact CG2-CD1 4.46Å; T1093-I1109 VanDerWaalsContact OG1-CD1 3.31Å; T1093-I1109 WeakPolarHBondContact OG1-CD1 3.45Å; L1105-I1109 HydrophobicContact CB-CD1 4.47Å; L1105-I1109 WeakPolarHBondContact O-CB 3.39Å; L1105-I1109 WeakPolarHBondContact O-CD1 3.42Å; L1105-I1109 WeakPolarHBondContact O-CG1 3.16Å; L1105-I1109 PolarHBondContact O-N 3.33Å; I1109-Q1111 VanDerWaalsContact C-N 3.29Å; I1109-Q1111 PolarHBondContact O-N 3.22Å; I1109-L1112 WeakPolarHBondContact O-CG 3.46Å; I1109-L1112 PolarHBondContact O-N 2.68Å
1110T86.5Confident77.4Confident97 Ų9759.9 Ų59.960%0.59537%0.369SS*.Hα-helixtrans-66.5-30.3176.1-55.10000112.3H1106 Q1107 K1108 L1112H1106-T1110 WeakPolarHBondContact O-CB 3.48Å; H1106-T1110 PolarHBondContact O-N 2.89Å; H1106-T1110 PolarHBondContact O-OG1 3.22Å; Q1107-T1110 PolarHBondContact O-N 3.29Å; K1108-T1110 VanDerWaalsContact C-N 3.3Å; K1108-T1110 PolarHBondContact O-N 2.58Å; T1110-L1112 VanDerWaalsContact C-N 3.35Å; T1110-L1112 PolarHBondContact O-N 2.72Å
1111Q82.6Confident76.7Confident78 Ų7855.5 Ų55.536%0.36435%0.354SS..Hα-helixtrans-75.6-16.5-178.2-73.4169.8-25.300114.4Q1107 K1108 I1109 V1113 S1114Q1107-Q1111 WeakPolarHBondContact O-CG 3.27Å; Q1107-Q1111 PolarHBondContact O-N 2.88Å; K1108-Q1111 PolarHBondContact O-N 2.83Å; K1108-Q1111 VanDerWaalsContact O-N 3.15Å; I1109-Q1111 VanDerWaalsContact C-N 3.29Å; I1109-Q1111 PolarHBondContact O-N 3.22Å; Q1111-V1113 PolarHBondContact O-N 2.97Å; Q1111-S1114 PolarHBondContact O-N 3.11Å; Q1111-S1114 PolarHBondContact O-OG 3.1Å
1112L78.4Confident75.9Confident7 Ų757.8 Ų57.84%0.03737%0.37CS..THydrogen-bonded Turntrans-57.9-11-172.4-64.6177.3000116.6L1063 Y1066 E1067 F1089 I1109 T1110L1063-L1112 HydrophobicContact CD2-CD1 4.3Å; Y1066-L1112 HydrophobicContact CD1-CD1 4.45Å; Y1066-L1112 HydrophobicContact CD1-CD2 4.49Å; E1067-L1112 HydrophobicContact CB-CD2 3.84Å; E1067-L1112 HydrophobicContact CG-CD2 4.36Å; F1089-L1112 HydrophobicContact CD2-CD1 3.93Å; F1089-L1112 HydrophobicContact CE2-CD1 4.12Å; I1109-L1112 WeakPolarHBondContact O-CG 3.46Å; I1109-L1112 PolarHBondContact O-N 2.68Å; T1110-L1112 VanDerWaalsContact C-N 3.35Å; T1110-L1112 PolarHBondContact O-N 2.72Å
1113V58.6Low74.8Confident44 Ų4459.5 Ų59.527%0.26739%0.385SS..THydrogen-bonded Turntrans-114.9-6176.7164.80000112.9S1082 R1086 Q1111 S1115S1082-V1113 VanDerWaalsContact OG-CG2 3.27Å; S1082-V1113 WeakPolarHBondContact OG-CG2 3.31Å; R1086-V1113 VanDerWaalsContact NH2-CG2 3.25Å; Q1111-V1113 PolarHBondContact O-N 2.97Å; V1113-S1115 PolarHBondContact O-N 2.79Å
1114S52.1Low73.5Confident91 Ų9159.9 Ų59.964%0.63638%0.381SS*.THydrogen-bonded Turntrans-75.1-7.7-178.764.60000115.1Q1111Q1111-S1114 PolarHBondContact O-N 3.11Å; Q1111-S1114 PolarHBondContact O-OG 3.1Å
1115S44Very low72Confident54 Ų5461.4 Ų61.438%0.37839%0.391SS..THydrogen-bonded Turntrans-110.55.3-179.142.20000114.1E1067 V1113E1067-S1115 PolarHBondContact OE1-OG 3.12Å; V1113-S1115 PolarHBondContact O-N 2.79Å
1116A40.2Very low70.2Confident67 Ų6766.5 Ų66.555%0.55442%0.424SS*.  trans-11544.9-18000000112.5
1117A32.2Very low68.2Low164 Ų16468.8 Ų68.8100%1.35545%0.445SS*.  trans-142.70-176.400000112.1

Retrieved 1,117 of 1,117 residues in 758 ms (Link to these results)

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