A0A3Q0KFU4_SCHMA Loading...

Smg-7 (Suppressor with morphological effect on genitalia protein 7), putative

AlphaFold DB , UniProt , Accession A0A3Q0KFU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,156 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
1M37.1Very low74.2Confident236 Ų236105.5 Ų105.5100%1.16353%0.528SS*.  01030-70.1163.8172.600107.6
2T43Very low75.7Confident135 Ų135103.1 Ų103.183%0.82853%0.527SS*.  trans-70.7129160.833.20000107.4E4T2-E4 PolarHBondContact O-N 3.16Å
3N51.4Low76.9Confident158 Ų158101.5 Ų101.585%0.84552%0.52SS*.  trans-71.989.3169.4-81.5-3.1000108.1A5N3-A5 PolarHBondContact O-N 2.78Å
4E61.1Low78.1Confident171 Ų17194.4 Ų94.480%0.79948%0.484SS*.PPolyproline II helixtrans-57.7130162.2-161.9142-12400107.8T2 D6T2-E4 PolarHBondContact O-N 3.16Å; E4-D6 PolarHBondContact O-N 3.28Å
5A76.3Confident79Confident25 Ų2594.5 Ų94.521%0.20748%0.479CS..PPolyproline II helixtrans-76.6126.5-175.700000108.8N3 P7 M10 R48 F49N3-A5 PolarHBondContact O-N 2.78Å; A5-P7 WeakPolarHBondContact O-CD 3.3Å; A5-M10 HydrophobicContact CB-SD 3.96Å; A5-R48 VanDerWaalsContact CB-CZ 3.49Å; A5-F49 HydrophobicContact CB-CE2 4.43Å; A5-F49 HydrophobicContact CB-CZ 4.16Å; A5-F49 WeakPolarHBondContact O-CZ 3.5Å
6D88.4Confident79.8Confident76 Ų7690.9 Ų90.941%0.40647%0.469SS..PPolyproline II helixtrans-76.3120.4173.3165.729.4000109.8E4 H8 R9 M10E4-D6 PolarHBondContact O-N 3.28Å; D6-H8 VanDerWaalsContact C-N 3.31Å; D6-H8 PolarHBondContact O-N 3.31Å; D6-H8 WeakPolarHBondContact OD1-CB 3.49Å; D6-H8 IonicContact OD1-CD2 3.01Å; D6-H8 IonicContact OD1-CG 2.79Å; D6-H8 PolarHBondContact OD1-N 3.11Å; D6-R9 HydrophobicContact CB-CB 3.96Å; D6-R9 PolarHBondContact O-N 3.05Å; D6-R9 WeakPolarHBondContact OD2-CB 3.23Å; D6-R9 PolarHBondContact OD2-N 3.18Å; D6-M10 PolarHBondContact O-N 3.43Å
7P90.9Very high80.4Confident24 Ų2489.4 Ų89.416%0.15646%0.462CS..Hα-helixtrans-65.7-30.7177.227.7-34.9000112.8A5 M10 W11 L45 F49 F52A5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-M10 PolarHBondContact O-N 2.98Å; P7-W11 WeakPolarHBondContact O-CB 3.38Å; P7-W11 PolarHBondContact O-N 2.8Å; P7-L45 HydrophobicContact CB-CD1 4.2Å; P7-F49 HydrophobicContact CB-CB 4.21Å; P7-F49 HydrophobicContact CB-CD1 4.12Å; P7-F49 HydrophobicContact CB-CD2 3.82Å; P7-F49 HydrophobicContact CB-CE1 4.47Å; P7-F49 HydrophobicContact CB-CE2 4.17Å; P7-F49 HydrophobicContact CB-CG 3.78Å; P7-F49 HydrophobicContact CB-CZ 4.5Å; P7-F49 HydrophobicContact CG-CD1 4.2Å; P7-F49 HydrophobicContact CG-CE1 4.4Å; P7-F49 HydrophobicContact CG-CG 4.35Å; P7-F52 HydrophobicContact CB-CB 4.35Å; P7-F52 HydrophobicContact CB-CD1 3.66Å; P7-F52 HydrophobicContact CB-CD2 3.85Å; P7-F52 HydrophobicContact CB-CE1 3.81Å; P7-F52 HydrophobicContact CB-CE2 3.98Å; P7-F52 HydrophobicContact CB-CG 3.69Å; P7-F52 HydrophobicContact CB-CZ 3.97Å; P7-F52 HydrophobicContact CG-CD2 3.83Å; P7-F52 HydrophobicContact CG-CE2 4.06Å; P7-F52 HydrophobicContact CG-CG 4.07Å
8H91.1Very high81Confident104 Ų10486.1 Ų86.148%0.48145%0.445SS..Hα-helixtrans-64.2-47.6174.8-69.9-86.6000110.7D6 M10 W11 C12 F52 H56D6-H8 VanDerWaalsContact C-N 3.31Å; D6-H8 PolarHBondContact O-N 3.31Å; D6-H8 WeakPolarHBondContact OD1-CB 3.49Å; D6-H8 IonicContact OD1-CD2 3.01Å; D6-H8 IonicContact OD1-CG 2.79Å; D6-H8 PolarHBondContact OD1-N 3.11Å; H8-M10 PolarHBondContact O-N 2.97Å; H8-W11 WeakPolarHBondContact O-CB 3.28Å; H8-W11 PolarHBondContact O-N 3.34Å; H8-C12 WeakPolarHBondContact O-CB 3.49Å; H8-C12 PolarHBondContact O-N 3.3Å; H8-C12 PolarHBondContact O-SG 3.49Å; H8-C12 VanDerWaalsContact O-SG 3.34Å; H8-F52 AromaticContact CD2-CE2 3.85Å; H8-F52 AromaticContact CE1-CE2 3.65Å; H8-F52 AromaticContact CG-CE2 3.85Å; H8-F52 AromaticContact ND1-CE2 3.72Å; H8-F52 AromaticContact NE2-CE2 3.73Å; H8-H56 AromaticContact CE1-NE2 3.97Å
9R91.6Very high81.4Confident166 Ų16688.9 Ų88.963%0.62646%0.461SS*.Hα-helixtrans-58.1-47.2173179.3174.9178.9169.64112.3D6 W11 C12 D13D6-R9 HydrophobicContact CB-CB 3.96Å; D6-R9 PolarHBondContact O-N 3.05Å; D6-R9 WeakPolarHBondContact OD2-CB 3.23Å; D6-R9 PolarHBondContact OD2-N 3.18Å; R9-W11 VanDerWaalsContact C-N 3.25Å; R9-W11 PolarHBondContact O-N 2.98Å; R9-C12 PolarHBondContact O-N 3.08Å; R9-D13 WeakPolarHBondContact CG-OD2 3.24Å; R9-D13 IonicContact NE-OD2 2.78Å; R9-D13 WeakPolarHBondContact O-CB 3.4Å; R9-D13 PolarHBondContact O-N 3.41Å
10M92.2Very high81.7Confident43 Ų4391.2 Ų91.221%0.21247%0.467CS..Hα-helixtrans-59.5-37177.1-74.3-175.661.700112.3A5 D6 P7 H8 L14 Q44 L45 F49A5-M10 HydrophobicContact CB-SD 3.96Å; D6-M10 PolarHBondContact O-N 3.43Å; P7-M10 PolarHBondContact O-N 2.98Å; H8-M10 PolarHBondContact O-N 2.97Å; M10-L14 VanDerWaalsContact O-CB 3.3Å; M10-L14 WeakPolarHBondContact O-CB 3.48Å; M10-L14 PolarHBondContact O-N 2.93Å; M10-Q44 HydrophobicContact CE-CB 4.14Å; M10-L45 HydrophobicContact CB-CD1 4.06Å; M10-L45 HydrophobicContact CE-CB 4.49Å; M10-F49 HydrophobicContact SD-CE2 3.88Å
11W93Very high81.9Confident23 Ų2392.5 Ų92.59%0.08747%0.469CS..Hα-helixtrans-70.4-41.2176-176.6-151.7000112.9P7 H8 R9 L14 K15 F42 L45 F52 I58 E61P7-W11 WeakPolarHBondContact O-CB 3.38Å; P7-W11 PolarHBondContact O-N 2.8Å; H8-W11 WeakPolarHBondContact O-CB 3.28Å; H8-W11 PolarHBondContact O-N 3.34Å; R9-W11 VanDerWaalsContact C-N 3.25Å; R9-W11 PolarHBondContact O-N 2.98Å; W11-L14 HydrophobicContact CE3-CB 4.37Å; W11-L14 HydrophobicContact CE3-CD2 4.08Å; W11-L14 HydrophobicContact CE3-CG 4.31Å; W11-L14 HydrophobicContact CZ3-CD2 4.11Å; W11-L14 HydrophobicContact CZ3-CG 4.37Å; W11-L14 PolarHBondContact O-N 3.48Å; W11-K15 HydrophobicContact CD2-CD 4.29Å; W11-K15 HydrophobicContact CD2-CG 4.4Å; W11-K15 VanDerWaalsContact CE2-CE 3.43Å; W11-K15 HydrophobicContact CE3-CG 4.2Å; W11-K15 HydrophobicContact CZ2-CD 4.47Å; W11-K15 HydrophobicContact CZ3-CG 4.27Å; W11-K15 PolarHBondContact O-N 2.98Å; W11-F42 HydrophobicContact CZ3-CE1 4.25Å; W11-L45 HydrophobicContact CB-CD2 4.14Å; W11-L45 HydrophobicContact CE3-CD2 4.36Å; W11-F52 HydrophobicContact CB-CE1 4.09Å; W11-F52 HydrophobicContact CB-CZ 4.2Å; W11-F52 HydrophobicContact CG-CE1 4.41Å; W11-I58 HydrophobicContact CD2-CD1 3.86Å; W11-I58 HydrophobicContact CD2-CG1 4.01Å; W11-I58 HydrophobicContact CE3-CD1 4.19Å; W11-I58 HydrophobicContact CE3-CG1 4.08Å; W11-I58 HydrophobicContact CG-CD1 4.07Å; W11-I58 HydrophobicContact CH2-CG1 3.81Å; W11-I58 HydrophobicContact CZ2-CD1 4.39Å; W11-I58 HydrophobicContact CZ2-CG1 3.72Å; W11-I58 HydrophobicContact CZ3-CG1 4Å; W11-E61 HydrophobicContact CH2-CB 4.34Å; W11-E61 HydrophobicContact CH2-CG 4.18Å
12C92.4Very high84.1Confident76 Ų7682.3 Ų82.351%0.51442%0.421SS..Hα-helixtrans-65.2-44.1174.5-72.50000112.1H8 R9 L14 K15 A16H8-C12 WeakPolarHBondContact O-CB 3.49Å; H8-C12 PolarHBondContact O-N 3.3Å; H8-C12 PolarHBondContact O-SG 3.49Å; H8-C12 VanDerWaalsContact O-SG 3.34Å; R9-C12 PolarHBondContact O-N 3.08Å; C12-L14 VanDerWaalsContact C-N 3.31Å; C12-L14 PolarHBondContact O-N 3.37Å; C12-K15 PolarHBondContact O-N 2.98Å; C12-A16 VanDerWaalsContact O-CB 3.29Å; C12-A16 WeakPolarHBondContact O-CB 3.22Å; C12-A16 PolarHBondContact O-N 2.75Å
13D91.7Very high85.9Confident82 Ų8279.7 Ų79.744%0.43941%0.406SS..Hα-helixtrans-63-37.6175.5-74.3-27.9000110.9R9 N17R9-D13 WeakPolarHBondContact CG-OD2 3.24Å; R9-D13 IonicContact NE-OD2 2.78Å; R9-D13 WeakPolarHBondContact O-CB 3.4Å; R9-D13 PolarHBondContact O-N 3.41Å; D13-N17 PolarHBondContact O-N 3.44Å; D13-N17 PolarHBondContact O-ND2 3.45Å
14L92.7Very high86.9Confident2 Ų278.8 Ų78.81%0.0140%0.401CS..Hα-helixtrans-65.5-50173.4176.450.2000112.1M10 W11 C12 A16 N17 L18 I38 F42 L45M10-L14 VanDerWaalsContact O-CB 3.3Å; M10-L14 WeakPolarHBondContact O-CB 3.48Å; M10-L14 PolarHBondContact O-N 2.93Å; W11-L14 HydrophobicContact CE3-CB 4.37Å; W11-L14 HydrophobicContact CE3-CD2 4.08Å; W11-L14 HydrophobicContact CE3-CG 4.31Å; W11-L14 HydrophobicContact CZ3-CD2 4.11Å; W11-L14 HydrophobicContact CZ3-CG 4.37Å; W11-L14 PolarHBondContact O-N 3.48Å; C12-L14 VanDerWaalsContact C-N 3.31Å; C12-L14 PolarHBondContact O-N 3.37Å; L14-A16 PolarHBondContact O-N 3.17Å; L14-N17 WeakPolarHBondContact O-CA 3.21Å; L14-N17 PolarHBondContact O-N 3.42Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3.11Å; L14-I38 HydrophobicContact CD1-CD1 4.08Å; L14-I38 HydrophobicContact CD1-CG2 4.12Å; L14-F42 HydrophobicContact CD1-CD2 4.29Å; L14-F42 HydrophobicContact CD1-CE2 4.21Å; L14-F42 HydrophobicContact CD2-CD1 3.7Å; L14-F42 HydrophobicContact CD2-CD2 4.14Å; L14-F42 HydrophobicContact CD2-CE1 3.83Å; L14-F42 HydrophobicContact CD2-CE2 4.26Å; L14-F42 HydrophobicContact CD2-CG 3.86Å; L14-F42 HydrophobicContact CD2-CZ 4.11Å; L14-L45 HydrophobicContact CD2-CD2 4.32Å
15K92.8Very high87.5Confident96 Ų9677 Ų7742%0.41740%0.402SS..Hα-helixtrans-56.5-49.3175-81.5175.8168.6166.60112.2W11 C12 N17 L18 D19W11-K15 HydrophobicContact CD2-CD 4.29Å; W11-K15 HydrophobicContact CD2-CG 4.4Å; W11-K15 VanDerWaalsContact CE2-CE 3.43Å; W11-K15 HydrophobicContact CE3-CG 4.2Å; W11-K15 HydrophobicContact CZ2-CD 4.47Å; W11-K15 HydrophobicContact CZ3-CG 4.27Å; W11-K15 PolarHBondContact O-N 2.98Å; C12-K15 PolarHBondContact O-N 2.98Å; K15-N17 PolarHBondContact O-N 2.89Å; K15-L18 WeakPolarHBondContact O-CA 3.44Å; K15-L18 WeakPolarHBondContact O-CB 3.41Å; K15-L18 PolarHBondContact O-N 3.34Å; K15-D19 PolarHBondContact O-N 2.97Å
16A91.5Very high87.4Confident38 Ų3878 Ų7831%0.31441%0.407SS..Hα-helixtrans-62.8-13.9177.100000113.3C12 L14 K20C12-A16 VanDerWaalsContact O-CB 3.29Å; C12-A16 WeakPolarHBondContact O-CB 3.22Å; C12-A16 PolarHBondContact O-N 2.75Å; L14-A16 PolarHBondContact O-N 3.17Å; A16-K20 VanDerWaalsContact O-CD 3.3Å; A16-K20 WeakPolarHBondContact O-CD 3.35Å; A16-K20 WeakPolarHBondContact O-CE 3.37Å; A16-K20 VanDerWaalsContact O-CG 3.29Å; A16-K20 WeakPolarHBondContact O-CG 3.43Å; A16-K20 PolarHBondContact O-NZ 3.39Å
17N90.2Very high86.8Confident65 Ų6577.4 Ų77.435%0.34841%0.409SS..Hα-helixtrans-94.7-30.4170.4-69.5-29000112.6D13 L14 K15 D19 K20 Y34 I38D13-N17 PolarHBondContact O-N 3.44Å; D13-N17 PolarHBondContact O-ND2 3.45Å; L14-N17 WeakPolarHBondContact O-CA 3.21Å; L14-N17 PolarHBondContact O-N 3.42Å; K15-N17 PolarHBondContact O-N 2.89Å; N17-D19 VanDerWaalsContact C-N 3.31Å; N17-D19 PolarHBondContact O-N 3.39Å; N17-K20 PolarHBondContact O-N 3.07Å; N17-K20 PolarHBondContact OD1-NZ 3.3Å; N17-Y34 WeakPolarHBondContact O-CE2 3.27Å; N17-Y34 PolarHBondContact O-OH 3.19Å; N17-I38 HydrophobicContact CB-CD1 3.74Å
18L90.5Very high85.7Confident30 Ų3078 Ų7816%0.15742%0.416CS..Hα-helixtrans-60.8-39.4170.3-69.7173.9000112.2L14 K15 K20 K21 Y34 I38 F42 V65L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3.11Å; K15-L18 WeakPolarHBondContact O-CA 3.44Å; K15-L18 WeakPolarHBondContact O-CB 3.41Å; K15-L18 PolarHBondContact O-N 3.34Å; L18-K20 PolarHBondContact O-N 3.3Å; L18-K21 PolarHBondContact O-N 3.45Å; L18-Y34 WeakPolarHBondContact CA-OH 3.3Å; L18-Y34 PolarHBondContact O-OH 2.91Å; L18-I38 HydrophobicContact CD2-CD1 3.99Å; L18-I38 HydrophobicContact CD2-CG1 4.28Å; L18-I38 HydrophobicContact CD2-CG2 3.57Å; L18-I38 HydrophobicContact CG-CD1 4.35Å; L18-F42 HydrophobicContact CD1-CZ 4.26Å; L18-F42 HydrophobicContact CD2-CE2 4.46Å; L18-V65 HydrophobicContact CD2-CG1 3.72Å
19D87.8Confident84.8Confident139 Ų13975 Ų7574%0.74341%0.409SS*.THydrogen-bonded Turntrans-64.7-25.8175.9-62.5-37.8000112.8K15 N17 K21K15-D19 PolarHBondContact O-N 2.97Å; N17-D19 VanDerWaalsContact C-N 3.31Å; N17-D19 PolarHBondContact O-N 3.39Å; D19-K21 PolarHBondContact O-N 3.14Å
20K87.5Confident84.3Confident135 Ų13569.9 Ų69.959%0.58740%0.396SS*.THydrogen-bonded Turntrans-87.123.1-179.2-62.3173.8-167.7120.60113.1A16 N17 L18A16-K20 VanDerWaalsContact O-CD 3.3Å; A16-K20 WeakPolarHBondContact O-CD 3.35Å; A16-K20 WeakPolarHBondContact O-CE 3.37Å; A16-K20 VanDerWaalsContact O-CG 3.29Å; A16-K20 WeakPolarHBondContact O-CG 3.43Å; A16-K20 PolarHBondContact O-NZ 3.39Å; N17-K20 PolarHBondContact O-N 3.07Å; N17-K20 PolarHBondContact OD1-NZ 3.3Å; L18-K20 PolarHBondContact O-N 3.3Å
21K86.2Confident83.6Confident119 Ų11970.2 Ų70.252%0.51740%0.398SS..PPolyproline II helixtrans-52.5124.4-178-176177.7177.4178.50111.3L18 D19 Y34L18-K21 PolarHBondContact O-N 3.45Å; D19-K21 PolarHBondContact O-N 3.14Å; K21-Y34 HydrophobicContact CB-CE1 4.43Å; K21-Y34 HydrophobicContact CG-CE1 4.06Å
22P84.8Confident82.9Confident22 Ų2273.2 Ų73.214%0.14342%0.415CS..PPolyproline II helixtrans-62.9143179.125.7-34.2000110.4C26 Q31 Y34P22-C26 HydrophobicContact CB-CB 4.3Å; P22-Q31 HydrophobicContact CG-CG 4.44Å; P22-Y34 VanDerWaalsContact CD-CD2 3.42Å; P22-Y34 VanDerWaalsContact CD-CG 3.43Å; P22-Y34 HydrophobicContact CG-CD1 4.21Å; P22-Y34 HydrophobicContact CG-CD2 4.25Å; P22-Y34 HydrophobicContact CG-CG 3.86Å
23P80.6Confident82.5Confident80 Ų8076 Ų7652%0.51942%0.42SS..PPolyproline II helixtrans-61.2151.3-179.325.1-34.3000111.4T25 C26 Q31P23-T25 PolarHBondContact O-N 2.72Å; P23-C26 WeakPolarHBondContact O-CB 3.33Å; P23-C26 PolarHBondContact O-N 3.3Å; P23-Q31 PolarHBondContact O-NE2 3.44Å
24N71.4Confident82.3Confident139 Ų13973.9 Ų73.974%0.74341%0.407SS*.THydrogen-bonded Turntrans-60.3-10.1-178.2-65.3-15.3000113.9Q31N24-Q31 PolarHBondContact O-NE2 2.65Å
25T72.9Confident82Confident132 Ų13275.4 Ų75.481%0.8141%0.413SS*.THydrogen-bonded Turntrans-85.8-11.2174.8510000114.6P23P23-T25 PolarHBondContact O-N 2.72Å
26C74.9Confident81.8Confident46 Ų4672.6 Ų72.631%0.31141%0.408SS..SBendtrans-63.9165175.6-780000112.6P22 P23 T30 Q31P22-C26 HydrophobicContact CB-CB 4.3Å; P23-C26 WeakPolarHBondContact O-CB 3.33Å; P23-C26 PolarHBondContact O-N 3.3Å; C26-T30 HydrophobicContact CB-CG2 4.46Å; C26-Q31 HydrophobicContact CB-CG 4.48Å
27S75.3Confident81.7Confident65 Ų6572.8 Ų72.846%0.45541%0.414SS..  trans-64.1148.3175.3930000111A29 T30 Q31S27-A29 PolarHBondContact O-N 2.78Å; S27-T30 WeakPolarHBondContact O-CB 3.42Å; S27-T30 PolarHBondContact O-N 3.4Å; S27-T30 PolarHBondContact OG-N 3.03Å; S27-T30 PolarHBondContact OG-OG1 3.29Å; S27-Q31 PolarHBondContact O-N 2.95Å; S27-Q31 VanDerWaalsContact O-N 3.13Å
28A69.1Low81.9Confident37 Ų3769.9 Ų69.931%0.30640%0.398SS..Hα-helixtrans-56.9-39.3176.800000112T30 Q31 D32A28-T30 VanDerWaalsContact C-N 3.33Å; A28-T30 PolarHBondContact O-N 3.24Å; A28-Q31 CarbonylContact O-C 3.53Å; A28-Q31 WeakPolarHBondContact O-CB 3.34Å; A28-Q31 PolarHBondContact O-N 3.37Å; A28-Q31 VanDerWaalsContact O-N 3.09Å; A28-D32 VanDerWaalsContact O-CG 3.3Å; A28-D32 PolarHBondContact O-N 3.32Å
29A72.7Confident82Confident41 Ų4169.5 Ų69.534%0.33940%0.396SS..Hα-helixtrans-59.8-41.9175.900000112.2S27 Q31 D32 E33S27-A29 PolarHBondContact O-N 2.78Å; A29-Q31 VanDerWaalsContact C-N 3.28Å; A29-Q31 PolarHBondContact O-N 2.91Å; A29-D32 PolarHBondContact O-N 2.98Å; A29-E33 WeakPolarHBondContact O-CB 3.24Å; A29-E33 VanDerWaalsContact O-CG 3.25Å; A29-E33 WeakPolarHBondContact O-CG 3.3Å; A29-E33 PolarHBondContact O-N 2.92Å
30T79.8Confident82.2Confident58 Ų5865.6 Ų65.636%0.35638%0.379SS..Hα-helixtrans-64.7-32.7176.1-45.30000112.2C26 S27 A28 Y34C26-T30 HydrophobicContact CB-CG2 4.46Å; S27-T30 WeakPolarHBondContact O-CB 3.42Å; S27-T30 PolarHBondContact O-N 3.4Å; S27-T30 PolarHBondContact OG-N 3.03Å; S27-T30 PolarHBondContact OG-OG1 3.29Å; A28-T30 VanDerWaalsContact C-N 3.33Å; A28-T30 PolarHBondContact O-N 3.24Å; T30-Y34 WeakPolarHBondContact O-CB 3.48Å; T30-Y34 PolarHBondContact O-N 2.93Å; T30-Y34 VanDerWaalsContact O-N 3.17Å
31Q78.2Confident82.5Confident50 Ų5061 Ų6123%0.23436%0.364CS..Hα-helixtrans-74.2-42.2174.4-67171.2-4.600111P22 P23 N24 C26 S27 A28 A29 Y34 F35P22-Q31 HydrophobicContact CG-CG 4.44Å; P23-Q31 PolarHBondContact O-NE2 3.44Å; N24-Q31 PolarHBondContact O-NE2 2.65Å; C26-Q31 HydrophobicContact CB-CG 4.48Å; S27-Q31 PolarHBondContact O-N 2.95Å; S27-Q31 VanDerWaalsContact O-N 3.13Å; A28-Q31 CarbonylContact O-C 3.53Å; A28-Q31 WeakPolarHBondContact O-CB 3.34Å; A28-Q31 PolarHBondContact O-N 3.37Å; A28-Q31 VanDerWaalsContact O-N 3.09Å; A29-Q31 VanDerWaalsContact C-N 3.28Å; A29-Q31 PolarHBondContact O-N 2.91Å; Q31-Y34 PolarHBondContact O-N 2.9Å; Q31-F35 WeakPolarHBondContact O-CD2 3.23Å; Q31-F35 PolarHBondContact O-N 3.44Å
32D78.1Confident83Confident86 Ų8655.4 Ų55.446%0.4634%0.34SS..Hα-helixtrans-64.4-40.3176.8-69.7-40000112.4A28 A29 A36A28-D32 VanDerWaalsContact O-CG 3.3Å; A28-D32 PolarHBondContact O-N 3.32Å; A29-D32 PolarHBondContact O-N 2.98Å; D32-A36 VanDerWaalsContact O-CB 3.3Å; D32-A36 WeakPolarHBondContact O-CB 3.4Å; D32-A36 PolarHBondContact O-N 3.02Å
33E83.6Confident83.4Confident133 Ų13355.2 Ų55.262%0.62134%0.338SS*.Hα-helixtrans-62.5-48.6173-77167.3179.300111.2A29 A36 G37A29-E33 WeakPolarHBondContact O-CB 3.24Å; A29-E33 VanDerWaalsContact O-CG 3.25Å; A29-E33 WeakPolarHBondContact O-CG 3.3Å; A29-E33 PolarHBondContact O-N 2.92Å; E33-A36 PolarHBondContact O-N 3.29Å; E33-G37 PolarHBondContact O-N 3.43Å
34Y88.5Confident84Confident38 Ų3856.5 Ų56.515%0.14934%0.337CS..Hα-helixtrans-56.7-51.7175168-94.9000111.6N17 L18 K21 P22 T30 Q31 A36 G37 I38N17-Y34 WeakPolarHBondContact O-CE2 3.27Å; N17-Y34 PolarHBondContact O-OH 3.19Å; L18-Y34 WeakPolarHBondContact CA-OH 3.3Å; L18-Y34 PolarHBondContact O-OH 2.91Å; K21-Y34 HydrophobicContact CB-CE1 4.43Å; K21-Y34 HydrophobicContact CG-CE1 4.06Å; P22-Y34 VanDerWaalsContact CD-CD2 3.42Å; P22-Y34 VanDerWaalsContact CD-CG 3.43Å; P22-Y34 HydrophobicContact CG-CD1 4.21Å; P22-Y34 HydrophobicContact CG-CD2 4.25Å; P22-Y34 HydrophobicContact CG-CG 3.86Å; T30-Y34 WeakPolarHBondContact O-CB 3.48Å; T30-Y34 PolarHBondContact O-N 2.93Å; T30-Y34 VanDerWaalsContact O-N 3.17Å; Q31-Y34 PolarHBondContact O-N 2.9Å; Y34-A36 VanDerWaalsContact C-N 3.28Å; Y34-A36 PolarHBondContact O-N 3.33Å; Y34-G37 PolarHBondContact O-N 3.13Å; Y34-I38 HydrophobicContact CD1-CG1 4.46Å; Y34-I38 HydrophobicContact CD2-CG1 4.31Å; Y34-I38 HydrophobicContact CE1-CG1 4.03Å; Y34-I38 HydrophobicContact CE2-CD1 4.11Å; Y34-I38 HydrophobicContact CE2-CG1 3.89Å; Y34-I38 WeakPolarHBondContact O-CG1 3.43Å; Y34-I38 PolarHBondContact O-N 3.26Å
35F86.4Confident85.1Confident34 Ų3450 Ų5015%0.14930%0.302CS..Hα-helixtrans-65.6-29.4178.6-74.2-59.4000112.7Q31 Q39 L66 Q70Q31-F35 WeakPolarHBondContact O-CD2 3.23Å; Q31-F35 PolarHBondContact O-N 3.44Å; F35-Q39 WeakPolarHBondContact O-CB 3.32Å; F35-Q39 PolarHBondContact O-N 3.28Å; F35-L66 HydrophobicContact CD1-CD2 3.97Å; F35-Q70 VanDerWaalsContact CE1-NE2 3.26Å; F35-Q70 VanDerWaalsContact CZ-NE2 3.33Å
36A87Confident86.1Confident38 Ų3843.8 Ų43.831%0.31426%0.264SS..Hα-helixtrans-68.4-40.3171.700000113.3D32 E33 Y34 S40 R108D32-A36 VanDerWaalsContact O-CB 3.3Å; D32-A36 WeakPolarHBondContact O-CB 3.4Å; D32-A36 PolarHBondContact O-N 3.02Å; E33-A36 PolarHBondContact O-N 3.29Å; Y34-A36 VanDerWaalsContact C-N 3.28Å; Y34-A36 PolarHBondContact O-N 3.33Å; A36-S40 PolarHBondContact O-N 3.01Å; A36-R108 VanDerWaalsContact CA-NH2 3.28Å
37G90.3Very high87Confident41 Ų4143.7 Ų43.742%0.42326%0.26SS..Hα-helixtrans-60.7-55.7173.100000111.8E33 Y34 Q39 S40 S41E33-G37 PolarHBondContact O-N 3.43Å; Y34-G37 PolarHBondContact O-N 3.13Å; G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 3.38Å; G37-S40 WeakPolarHBondContact O-CB 3.47Å; G37-S40 PolarHBondContact O-N 3.07Å; G37-S40 VanDerWaalsContact O-N 3.07Å; G37-S41 PolarHBondContact O-N 3.34Å; G37-S41 VanDerWaalsContact O-N 3.08Å; G37-S41 PolarHBondContact O-OG 2.91Å
38I93.7Very high87.7Confident5 Ų547.1 Ų47.13%0.02626%0.263CS..Hα-helixtrans-55.7-45.7178.5-63.8-60.3000111.4L14 N17 L18 Y34 S40 S41 F42 L66L14-I38 HydrophobicContact CD1-CD1 4.08Å; L14-I38 HydrophobicContact CD1-CG2 4.12Å; N17-I38 HydrophobicContact CB-CD1 3.74Å; L18-I38 HydrophobicContact CD2-CD1 3.99Å; L18-I38 HydrophobicContact CD2-CG1 4.28Å; L18-I38 HydrophobicContact CD2-CG2 3.57Å; L18-I38 HydrophobicContact CG-CD1 4.35Å; Y34-I38 HydrophobicContact CD1-CG1 4.46Å; Y34-I38 HydrophobicContact CD2-CG1 4.31Å; Y34-I38 HydrophobicContact CE1-CG1 4.03Å; Y34-I38 HydrophobicContact CE2-CD1 4.11Å; Y34-I38 HydrophobicContact CE2-CG1 3.89Å; Y34-I38 WeakPolarHBondContact O-CG1 3.43Å; Y34-I38 PolarHBondContact O-N 3.26Å; I38-S40 PolarHBondContact O-N 3.17Å; I38-S41 PolarHBondContact O-N 3.19Å; I38-F42 HydrophobicContact CG2-CD2 3.75Å; I38-F42 HydrophobicContact CG2-CE2 3.59Å; I38-F42 WeakPolarHBondContact O-CD2 3.33Å; I38-F42 PolarHBondContact O-N 3.39Å; I38-L66 HydrophobicContact CB-CD2 4.42Å; I38-L66 HydrophobicContact CG2-CD2 3.87Å
39Q93.2Very high88.8Confident22 Ų2247.2 Ų47.210%0.10326%0.257CS..Hα-helixtrans-62.3-39177-175.1-162-78.600112.7F35 G37 F42 V43 L66 R108 I112F35-Q39 WeakPolarHBondContact O-CB 3.32Å; F35-Q39 PolarHBondContact O-N 3.28Å; G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 3.38Å; Q39-F42 PolarHBondContact O-N 3.07Å; Q39-V43 HydrophobicContact CG-CG2 4.49Å; Q39-V43 WeakPolarHBondContact O-CB 3.48Å; Q39-V43 VanDerWaalsContact O-CG2 3.26Å; Q39-V43 WeakPolarHBondContact O-CG2 3.43Å; Q39-V43 PolarHBondContact O-N 2.78Å; Q39-L66 HydrophobicContact CB-CD1 3.75Å; Q39-L66 HydrophobicContact CG-CD1 3.88Å; Q39-R108 VanDerWaalsContact OE1-CZ 3.3Å; Q39-I112 HydrophobicContact CG-CG1 4.47Å
40S93.1Very high89.7Confident56 Ų5645.5 Ų45.539%0.39224%0.242SC..Hα-helixtrans-63.6-42.5176.3-168.20000111.4A36 G37 I38 V43 Q44A36-S40 PolarHBondContact O-N 3.01Å; G37-S40 WeakPolarHBondContact O-CB 3.47Å; G37-S40 PolarHBondContact O-N 3.07Å; G37-S40 VanDerWaalsContact O-N 3.07Å; I38-S40 PolarHBondContact O-N 3.17Å; S40-V43 PolarHBondContact O-N 3.38Å; S40-Q44 WeakPolarHBondContact O-CB 3.47Å; S40-Q44 VanDerWaalsContact O-CG 3.29Å; S40-Q44 WeakPolarHBondContact O-CG 2.89Å; S40-Q44 PolarHBondContact O-N 3.09Å; S40-Q44 PolarHBondContact OG-NE2 3.13Å; S40-Q44 VanDerWaalsContact OG-NE2 3.09Å
41S93.6Very high90.1Very high40 Ų4044.7 Ų44.728%0.2824%0.235SC..Hα-helixtrans-62.8-45.4176.5-640000112.9G37 I38 L45G37-S41 PolarHBondContact O-N 3.34Å; G37-S41 VanDerWaalsContact O-N 3.08Å; G37-S41 PolarHBondContact O-OG 2.91Å; I38-S41 PolarHBondContact O-N 3.19Å; S41-L45 WeakPolarHBondContact O-CB 3.3Å; S41-L45 PolarHBondContact O-N 3.17Å; S41-L45 VanDerWaalsContact O-N 3.1Å
42F95.9Very high90.8Very high0 Ų043 Ų430%023%0.227CC..Hα-helixtrans-58.3-50.8173.6-85.1-69.6000111.6W11 L14 L18 I38 Q39 Q44 L45 I46 I58 E61 M62 L66W11-F42 HydrophobicContact CZ3-CE1 4.25Å; L14-F42 HydrophobicContact CD1-CD2 4.29Å; L14-F42 HydrophobicContact CD1-CE2 4.21Å; L14-F42 HydrophobicContact CD2-CD1 3.7Å; L14-F42 HydrophobicContact CD2-CD2 4.14Å; L14-F42 HydrophobicContact CD2-CE1 3.83Å; L14-F42 HydrophobicContact CD2-CE2 4.26Å; L14-F42 HydrophobicContact CD2-CG 3.86Å; L14-F42 HydrophobicContact CD2-CZ 4.11Å; L18-F42 HydrophobicContact CD1-CZ 4.26Å; L18-F42 HydrophobicContact CD2-CE2 4.46Å; I38-F42 HydrophobicContact CG2-CD2 3.75Å; I38-F42 HydrophobicContact CG2-CE2 3.59Å; I38-F42 WeakPolarHBondContact O-CD2 3.33Å; I38-F42 PolarHBondContact O-N 3.39Å; Q39-F42 PolarHBondContact O-N 3.07Å; F42-Q44 PolarHBondContact O-N 3.17Å; F42-L45 PolarHBondContact O-N 3.29Å; F42-I46 HydrophobicContact CB-CD1 4.48Å; F42-I46 WeakPolarHBondContact O-CD1 3.29Å; F42-I46 VanDerWaalsContact O-CG1 3.23Å; F42-I46 WeakPolarHBondContact O-CG1 3.46Å; F42-I46 PolarHBondContact O-N 2.82Å; F42-I58 HydrophobicContact CD1-CG2 3.83Å; F42-I58 HydrophobicContact CE1-CG2 4.13Å; F42-I58 WeakPolarHBondContact CE1-O 3.3Å; F42-E61 HydrophobicContact CE1-CB 4.24Å; F42-E61 HydrophobicContact CE1-CG 4.31Å; F42-E61 HydrophobicContact CZ-CB 4.43Å; F42-E61 HydrophobicContact CZ-CG 4.06Å; F42-M62 HydrophobicContact CB-CB 4.18Å; F42-M62 HydrophobicContact CB-CG 3.75Å; F42-M62 HydrophobicContact CB-SD 3.88Å; F42-M62 HydrophobicContact CD1-CB 3.56Å; F42-M62 HydrophobicContact CD1-CG 4.07Å; F42-M62 HydrophobicContact CD2-CB 4.27Å; F42-M62 HydrophobicContact CD2-CG 4.08Å; F42-M62 HydrophobicContact CE1-CB 3.9Å; F42-M62 HydrophobicContact CG-CB 3.77Å; F42-M62 HydrophobicContact CG-CG 3.73Å; F42-M62 HydrophobicContact CZ-CB 4.39Å; F42-L66 HydrophobicContact CD2-CD1 4.08Å; F42-L66 HydrophobicContact CD2-CG 4.45Å
43V94Very high91.5Very high19 Ų1939 Ų3912%0.11521%0.206CC..Hα-helixtrans-60.8-42-177.9168.20000111.8Q39 S40 I47 I112 L116Q39-V43 HydrophobicContact CG-CG2 4.49Å; Q39-V43 WeakPolarHBondContact O-CB 3.48Å; Q39-V43 VanDerWaalsContact O-CG2 3.26Å; Q39-V43 WeakPolarHBondContact O-CG2 3.43Å; Q39-V43 PolarHBondContact O-N 2.78Å; S40-V43 PolarHBondContact O-N 3.38Å; V43-I47 HydrophobicContact CG1-CD1 3.59Å; V43-I47 WeakPolarHBondContact O-CD1 3.49Å; V43-I47 VanDerWaalsContact O-CG1 3.31Å; V43-I47 WeakPolarHBondContact O-CG1 3.32Å; V43-I47 PolarHBondContact O-N 2.91Å; V43-I47 VanDerWaalsContact O-N 3.1Å; V43-I112 HydrophobicContact CG2-CG2 3.84Å; V43-L116 HydrophobicContact CB-CD2 4.45Å; V43-L116 HydrophobicContact CG1-CD2 4.08Å; V43-L116 HydrophobicContact CG2-CD1 4.47Å; V43-L116 HydrophobicContact CG2-CD2 4.25Å; V43-L116 HydrophobicContact CG2-CG 4.43Å
44Q93.2Very high91.7Very high107 Ų10733.5 Ų33.550%0.518%0.181SC..Hα-helixtrans-64.2-39.3176.1-73.7177.451.500112.7M10 S40 F42 R48M10-Q44 HydrophobicContact CE-CB 4.14Å; S40-Q44 WeakPolarHBondContact O-CB 3.47Å; S40-Q44 VanDerWaalsContact O-CG 3.29Å; S40-Q44 WeakPolarHBondContact O-CG 2.89Å; S40-Q44 PolarHBondContact O-N 3.09Å; S40-Q44 PolarHBondContact OG-NE2 3.13Å; S40-Q44 VanDerWaalsContact OG-NE2 3.09Å; F42-Q44 PolarHBondContact O-N 3.17Å; Q44-R48 WeakPolarHBondContact O-CB 3.23Å; Q44-R48 PolarHBondContact O-N 3.26Å
45L94.2Very high91.7Very high1 Ų136.6 Ų36.61%0.00520%0.197CC..Hα-helixtrans-68.4-45.5179.7-170.448.4000111.1P7 M10 W11 L14 S41 F42 I47 F49 F52 T53 I58P7-L45 HydrophobicContact CB-CD1 4.2Å; M10-L45 HydrophobicContact CB-CD1 4.06Å; M10-L45 HydrophobicContact CE-CB 4.49Å; W11-L45 HydrophobicContact CB-CD2 4.14Å; W11-L45 HydrophobicContact CE3-CD2 4.36Å; L14-L45 HydrophobicContact CD2-CD2 4.32Å; S41-L45 WeakPolarHBondContact O-CB 3.3Å; S41-L45 PolarHBondContact O-N 3.17Å; S41-L45 VanDerWaalsContact O-N 3.1Å; F42-L45 PolarHBondContact O-N 3.29Å; L45-I47 PolarHBondContact O-N 3.26Å; L45-F49 HydrophobicContact CD1-CD2 3.93Å; L45-F49 PolarHBondContact O-N 3.41Å; L45-F52 HydrophobicContact CD1-CD1 4.25Å; L45-F52 HydrophobicContact CD1-CE1 4.29Å; L45-T53 PolarHBondContact O-OG1 2.95Å; L45-I58 HydrophobicContact CD2-CD1 3.83Å; L45-I58 HydrophobicContact CD2-CG2 4.09Å; L45-I58 HydrophobicContact CG-CD1 4.22Å; L45-I58 HydrophobicContact CG-CG2 4.31Å
46I94.5Very high91.9Very high3 Ų338.3 Ų38.32%0.01521%0.206CC..Hα-helixtrans-58.4-48176.6-66.4160.6000111.9F42 T53 I58 M62 L116 L120 L263F42-I46 HydrophobicContact CB-CD1 4.48Å; F42-I46 WeakPolarHBondContact O-CD1 3.29Å; F42-I46 VanDerWaalsContact O-CG1 3.23Å; F42-I46 WeakPolarHBondContact O-CG1 3.46Å; F42-I46 PolarHBondContact O-N 2.82Å; I46-T53 WeakPolarHBondContact CA-OG1 3.46Å; I46-T53 HydrophobicContact CB-CG2 4.23Å; I46-T53 HydrophobicContact CG1-CG2 3.65Å; I46-T53 HydrophobicContact CG2-CG2 4.44Å; I46-I58 HydrophobicContact CG1-CG2 4.5Å; I46-M62 HydrophobicContact CD1-CE 3.8Å; I46-M62 HydrophobicContact CD1-SD 3.47Å; I46-M62 WeakPolarHBondContact CD1-SD 3.46Å; I46-L116 HydrophobicContact CB-CD2 4.25Å; I46-L116 HydrophobicContact CD1-CD1 4.49Å; I46-L116 HydrophobicContact CD1-CD2 4.47Å; I46-L116 HydrophobicContact CG2-CD2 3.87Å; I46-L120 HydrophobicContact CG2-CD1 4.36Å; I46-L120 HydrophobicContact CG2-CD2 4.37Å; I46-L263 HydrophobicContact CG2-CD1 4.19Å; I46-L263 HydrophobicContact CG2-CD2 4.26Å
47I92.3Very high92.2Very high44 Ų4440.3 Ų40.323%0.22621%0.207CC..Hα-helixtrans-75.9-39-174.8-65.3164.8000111.6V43 L45 L116 Q119V43-I47 HydrophobicContact CG1-CD1 3.59Å; V43-I47 WeakPolarHBondContact O-CD1 3.49Å; V43-I47 VanDerWaalsContact O-CG1 3.31Å; V43-I47 WeakPolarHBondContact O-CG1 3.32Å; V43-I47 PolarHBondContact O-N 2.91Å; V43-I47 VanDerWaalsContact O-N 3.1Å; L45-I47 PolarHBondContact O-N 3.26Å; I47-L116 HydrophobicContact CD1-CD2 3.99Å; I47-L116 HydrophobicContact CG1-CD2 3.87Å; I47-Q119 HydrophobicContact CD1-CB 3.72Å; I47-Q119 HydrophobicContact CD1-CG 4.36Å; I47-Q119 HydrophobicContact CG1-CB 4.16Å; I47-Q119 HydrophobicContact CG2-CB 4.25Å
48R91.1Very high92.3Very high136 Ų13638.4 Ų38.451%0.51319%0.187SC..Hα-helixtrans-81.2-30.4-176.3-168.7174.7175.3163.52.1112.9A5 Q44A5-R48 VanDerWaalsContact CB-CZ 3.49Å; Q44-R48 WeakPolarHBondContact O-CB 3.23Å; Q44-R48 PolarHBondContact O-N 3.26Å
49F92.6Very high92.3Very high40 Ų4038.2 Ų38.218%0.17519%0.186CC..  trans-133.767.5-179.8-50.9-80.3000112.5A5 P7 M10 L45 L51 F52 T53A5-F49 HydrophobicContact CB-CE2 4.43Å; A5-F49 HydrophobicContact CB-CZ 4.16Å; A5-F49 WeakPolarHBondContact O-CZ 3.5Å; P7-F49 HydrophobicContact CB-CB 4.21Å; P7-F49 HydrophobicContact CB-CD1 4.12Å; P7-F49 HydrophobicContact CB-CD2 3.82Å; P7-F49 HydrophobicContact CB-CE1 4.47Å; P7-F49 HydrophobicContact CB-CE2 4.17Å; P7-F49 HydrophobicContact CB-CG 3.78Å; P7-F49 HydrophobicContact CB-CZ 4.5Å; P7-F49 HydrophobicContact CG-CD1 4.2Å; P7-F49 HydrophobicContact CG-CE1 4.4Å; P7-F49 HydrophobicContact CG-CG 4.35Å; M10-F49 HydrophobicContact SD-CE2 3.88Å; L45-F49 HydrophobicContact CD1-CD2 3.93Å; L45-F49 PolarHBondContact O-N 3.41Å; F49-L51 PolarHBondContact O-N 3.12Å; F49-F52 HydrophobicContact CB-CB 3.93Å; F49-F52 PolarHBondContact O-N 2.95Å; F49-T53 VanDerWaalsContact O-CB 3.29Å; F49-T53 WeakPolarHBondContact O-CB 3.35Å; F49-T53 PolarHBondContact O-N 3.41Å; F49-T53 PolarHBondContact O-OG1 3.31Å
50P90.5Very high92.2Very high4 Ų439.2 Ų39.23%0.02619%0.192CC..Hα-helixtrans-49.1-52.9176.9-32.637.5000114.6T53 V54 L120 A259 V260 L263P50-T53 WeakPolarHBondContact O-CB 3.35Å; P50-T53 PolarHBondContact O-N 2.91Å; P50-V54 WeakPolarHBondContact O-CG2 3.49Å; P50-V54 PolarHBondContact O-N 2.72Å; P50-L120 HydrophobicContact CG-CD2 4.21Å; P50-A259 HydrophobicContact CB-CB 4.31Å; P50-V260 HydrophobicContact CB-CG2 3.85Å; P50-V260 HydrophobicContact CG-CG2 3.91Å; P50-L263 HydrophobicContact CB-CD1 3.76Å
51L88.9Confident92.2Very high41 Ų4140.1 Ų40.122%0.21519%0.19CC..Hα-helixtrans-56.7-58.4179.7174.356.7000112.5F49 T53 V54 E55 L254 A259F49-L51 PolarHBondContact O-N 3.12Å; L51-T53 PolarHBondContact O-N 2.97Å; L51-V54 PolarHBondContact O-N 3.22Å; L51-V54 VanDerWaalsContact O-N 3.08Å; L51-E55 HydrophobicContact CD1-CG 4.09Å; L51-E55 WeakPolarHBondContact O-CG 3.44Å; L51-E55 PolarHBondContact O-N 3.44Å; L51-L254 HydrophobicContact CD1-CB 3.56Å; L51-L254 HydrophobicContact CD1-CD1 4.47Å; L51-A259 HydrophobicContact CB-CB 4.35Å
52F91.6Very high92.3Very high16 Ų1638.3 Ų38.37%0.0718%0.177CC..Hα-helixtrans-53.6-39.2177.9177.4-89000112.9P7 H8 W11 L45 F49 H56 I58P7-F52 HydrophobicContact CB-CB 4.35Å; P7-F52 HydrophobicContact CB-CD1 3.66Å; P7-F52 HydrophobicContact CB-CD2 3.85Å; P7-F52 HydrophobicContact CB-CE1 3.81Å; P7-F52 HydrophobicContact CB-CE2 3.98Å; P7-F52 HydrophobicContact CB-CG 3.69Å; P7-F52 HydrophobicContact CB-CZ 3.97Å; P7-F52 HydrophobicContact CG-CD2 3.83Å; P7-F52 HydrophobicContact CG-CE2 4.06Å; P7-F52 HydrophobicContact CG-CG 4.07Å; H8-F52 AromaticContact CD2-CE2 3.85Å; H8-F52 AromaticContact CE1-CE2 3.65Å; H8-F52 AromaticContact CG-CE2 3.85Å; H8-F52 AromaticContact ND1-CE2 3.72Å; H8-F52 AromaticContact NE2-CE2 3.73Å; W11-F52 HydrophobicContact CB-CE1 4.09Å; W11-F52 HydrophobicContact CB-CZ 4.2Å; W11-F52 HydrophobicContact CG-CE1 4.41Å; L45-F52 HydrophobicContact CD1-CD1 4.25Å; L45-F52 HydrophobicContact CD1-CE1 4.29Å; F49-F52 HydrophobicContact CB-CB 3.93Å; F49-F52 PolarHBondContact O-N 2.95Å; F52-H56 AromaticContact CD2-CE1 3.47Å; F52-H56 VanDerWaalsContact CD2-CE1 3.47Å; F52-H56 WeakPolarHBondContact CD2-CE1 3.47Å; F52-H56 AromaticContact CD2-ND1 3.54Å; F52-H56 AromaticContact CE2-CE1 3.24Å; F52-H56 WeakPolarHBondContact CE2-CE1 3.29Å; F52-H56 AromaticContact CE2-ND1 3.53Å; F52-H56 AromaticContact CE2-NE2 3.73Å; F52-H56 AromaticContact CG-ND1 3.82Å; F52-H56 AromaticContact CZ-CE1 3.83Å; F52-H56 AromaticContact CZ-ND1 3.8Å; F52-H56 WeakPolarHBondContact O-CB 3.48Å; F52-H56 PolarHBondContact O-N 2.86Å; F52-H56 PolarHBondContact O-ND1 3.09Å; F52-I58 HydrophobicContact CD1-CD1 3.83Å; F52-I58 HydrophobicContact CE1-CD1 3.51Å
53T92.5Very high92.2Very high0 Ų038.3 Ų38.30%018%0.177CC..Hα-helixtrans-57.7-50.2178.4-67.50000110.8L45 I46 F49 P50 L51 H56 K57 I58 E59 L263L45-T53 PolarHBondContact O-OG1 2.95Å; I46-T53 WeakPolarHBondContact CA-OG1 3.46Å; I46-T53 HydrophobicContact CB-CG2 4.23Å; I46-T53 HydrophobicContact CG1-CG2 3.65Å; I46-T53 HydrophobicContact CG2-CG2 4.44Å; F49-T53 VanDerWaalsContact O-CB 3.29Å; F49-T53 WeakPolarHBondContact O-CB 3.35Å; F49-T53 PolarHBondContact O-N 3.41Å; F49-T53 PolarHBondContact O-OG1 3.31Å; P50-T53 WeakPolarHBondContact O-CB 3.35Å; P50-T53 PolarHBondContact O-N 2.91Å; L51-T53 PolarHBondContact O-N 2.97Å; T53-H56 CarbonylContact O-C 3.59Å; T53-H56 PolarHBondContact O-N 3.32Å; T53-K57 PolarHBondContact O-N 2.99Å; T53-I58 HydrophobicContact CG2-CB 3.87Å; T53-I58 HydrophobicContact CG2-CG2 4.13Å; T53-I58 PolarHBondContact O-N 3.15Å; T53-E59 HydrophobicContact CG2-CB 4.32Å; T53-E59 VanDerWaalsContact O-OE2 3.1Å; T53-L263 HydrophobicContact CG2-CD2 3.96Å
54V89.5Confident92.1Very high19 Ų1939.7 Ų39.712%0.11518%0.184CC..Hα-helixtrans-68.4-43.5-178.71790000111.7P50 L51 H56 K57 A259 Y262 L263P50-V54 WeakPolarHBondContact O-CG2 3.49Å; P50-V54 PolarHBondContact O-N 2.72Å; L51-V54 PolarHBondContact O-N 3.22Å; L51-V54 VanDerWaalsContact O-N 3.08Å; V54-H56 PolarHBondContact O-N 3.15Å; V54-K57 PolarHBondContact O-N 3.37Å; V54-A259 HydrophobicContact CG2-CB 4.32Å; V54-Y262 HydrophobicContact CB-CD1 4.26Å; V54-Y262 HydrophobicContact CB-CE1 4.49Å; V54-Y262 HydrophobicContact CG1-CD1 3.76Å; V54-Y262 HydrophobicContact CG1-CE1 3.94Å; V54-Y262 HydrophobicContact CG1-CG 4.35Å; V54-Y262 HydrophobicContact CG2-CD1 3.45Å; V54-Y262 VanDerWaalsContact CG2-CD1 3.45Å; V54-Y262 HydrophobicContact CG2-CE1 3.94Å; V54-Y262 HydrophobicContact CG2-CG 4.45Å; V54-L263 HydrophobicContact CG2-CD1 4.12Å; V54-L263 HydrophobicContact CG2-CD2 3.98Å; V54-L263 HydrophobicContact CG2-CG 3.81Å
55E88.8Confident92Very high102 Ų10236 Ų3648%0.47717%0.169SC..Hα-helixtrans-56.9-39.3175.9-68.3173150.700112L51L51-E55 HydrophobicContact CD1-CG 4.09Å; L51-E55 WeakPolarHBondContact O-CG 3.44Å; L51-E55 PolarHBondContact O-N 3.44Å
56H90Very high91.9Very high71 Ų7136.2 Ų36.233%0.32917%0.17SC..THydrogen-bonded Turntrans-96.93.6-177.9-64.878.8000114.1H8 F52 T53 V54 I58H8-H56 AromaticContact CE1-NE2 3.97Å; F52-H56 AromaticContact CD2-CE1 3.47Å; F52-H56 VanDerWaalsContact CD2-CE1 3.47Å; F52-H56 WeakPolarHBondContact CD2-CE1 3.47Å; F52-H56 AromaticContact CD2-ND1 3.54Å; F52-H56 AromaticContact CE2-CE1 3.24Å; F52-H56 WeakPolarHBondContact CE2-CE1 3.29Å; F52-H56 AromaticContact CE2-ND1 3.53Å; F52-H56 AromaticContact CE2-NE2 3.73Å; F52-H56 AromaticContact CG-ND1 3.82Å; F52-H56 AromaticContact CZ-CE1 3.83Å; F52-H56 AromaticContact CZ-ND1 3.8Å; F52-H56 WeakPolarHBondContact O-CB 3.48Å; F52-H56 PolarHBondContact O-N 2.86Å; F52-H56 PolarHBondContact O-ND1 3.09Å; T53-H56 CarbonylContact O-C 3.59Å; T53-H56 PolarHBondContact O-N 3.32Å; V54-H56 PolarHBondContact O-N 3.15Å; H56-I58 VanDerWaalsContact C-N 3.3Å; H56-I58 HydrophobicContact CB-CD1 3.71Å; H56-I58 HydrophobicContact CB-CG1 3.93Å; H56-I58 PolarHBondContact O-N 3.35Å
57K92Very high91.8Very high80 Ų8036.1 Ų36.135%0.34817%0.169SC..THydrogen-bonded Turntrans56.936.7178.6-56175.9-175.1174.20114.3T53 V54 E59 L60 E61T53-K57 PolarHBondContact O-N 2.99Å; V54-K57 PolarHBondContact O-N 3.37Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 VanDerWaalsContact C-OE1 3.24Å; K57-E59 VanDerWaalsContact CA-OE1 3.26Å; K57-E59 WeakPolarHBondContact CA-OE1 3.4Å; K57-L60 HydrophobicContact CB-CD1 4.28Å; K57-L60 HydrophobicContact CG-CD1 4.47Å; K57-L60 PolarHBondContact O-N 3.29Å; K57-E61 PolarHBondContact O-N 3.44Å; K57-E61 VanDerWaalsContact O-N 3.15Å
58I93.7Very high91.7Very high0 Ų036 Ų360%017%0.167CC..Hα-helixtrans-72.1-30.2-172.2-73.7165.4000111.4W11 F42 L45 I46 F52 T53 H56 M62W11-I58 HydrophobicContact CD2-CD1 3.86Å; W11-I58 HydrophobicContact CD2-CG1 4.01Å; W11-I58 HydrophobicContact CE3-CD1 4.19Å; W11-I58 HydrophobicContact CE3-CG1 4.08Å; W11-I58 HydrophobicContact CG-CD1 4.07Å; W11-I58 HydrophobicContact CH2-CG1 3.81Å; W11-I58 HydrophobicContact CZ2-CD1 4.39Å; W11-I58 HydrophobicContact CZ2-CG1 3.72Å; W11-I58 HydrophobicContact CZ3-CG1 4Å; F42-I58 HydrophobicContact CD1-CG2 3.83Å; F42-I58 HydrophobicContact CE1-CG2 4.13Å; F42-I58 WeakPolarHBondContact CE1-O 3.3Å; L45-I58 HydrophobicContact CD2-CD1 3.83Å; L45-I58 HydrophobicContact CD2-CG2 4.09Å; L45-I58 HydrophobicContact CG-CD1 4.22Å; L45-I58 HydrophobicContact CG-CG2 4.31Å; I46-I58 HydrophobicContact CG1-CG2 4.5Å; F52-I58 HydrophobicContact CD1-CD1 3.83Å; F52-I58 HydrophobicContact CE1-CD1 3.51Å; T53-I58 HydrophobicContact CG2-CB 3.87Å; T53-I58 HydrophobicContact CG2-CG2 4.13Å; T53-I58 PolarHBondContact O-N 3.15Å; H56-I58 VanDerWaalsContact C-N 3.3Å; H56-I58 HydrophobicContact CB-CD1 3.71Å; H56-I58 HydrophobicContact CB-CG1 3.93Å; H56-I58 PolarHBondContact O-N 3.35Å; I58-M62 WeakPolarHBondContact O-CB 3.08Å; I58-M62 PolarHBondContact O-N 3.18Å
59E92.9Very high91.6Very high2 Ų234.1 Ų34.11%0.00917%0.167CC..Hα-helixtrans-66.3-41.3172.772.5-52.4117.500113.2T53 K57 M62 W63 Y262 L263 H266T53-E59 HydrophobicContact CG2-CB 4.32Å; T53-E59 VanDerWaalsContact O-OE2 3.1Å; K57-E59 VanDerWaalsContact C-N 3.34Å; K57-E59 VanDerWaalsContact C-OE1 3.24Å; K57-E59 VanDerWaalsContact CA-OE1 3.26Å; K57-E59 WeakPolarHBondContact CA-OE1 3.4Å; E59-M62 WeakPolarHBondContact O-CB 3.45Å; E59-M62 PolarHBondContact O-N 3.27Å; E59-W63 PolarHBondContact O-N 3.05Å; E59-W63 VanDerWaalsContact O-N 3.07Å; E59-Y262 HydrophobicContact CG-CE1 3.93Å; E59-L263 HydrophobicContact CB-CD2 3.71Å; E59-L263 HydrophobicContact CG-CD2 3.86Å; E59-H266 PolarHBondContact O-CE1 3.26Å
60L91.7Very high91.4Very high42 Ų4234.7 Ų34.722%0.2217%0.17CC..Hα-helixtrans-66.5-40.3174.3-76.5166000111.3K57 W63 N64K57-L60 HydrophobicContact CB-CD1 4.28Å; K57-L60 HydrophobicContact CG-CD1 4.47Å; K57-L60 PolarHBondContact O-N 3.29Å; L60-W63 PolarHBondContact O-N 3.45Å; L60-N64 VanDerWaalsContact O-CG 3.25Å; L60-N64 PolarHBondContact O-N 3.49Å; L60-N64 PolarHBondContact O-ND2 3.25Å; L60-N64 VanDerWaalsContact O-ND2 3.12Å
61E93.1Very high91.3Very high76 Ų7634.5 Ų34.536%0.35517%0.169SC..Hα-helixtrans-66-41175-170.565.9179.800111.7W11 F42 K57 W63 N64 V65W11-E61 HydrophobicContact CH2-CB 4.34Å; W11-E61 HydrophobicContact CH2-CG 4.18Å; F42-E61 HydrophobicContact CE1-CB 4.24Å; F42-E61 HydrophobicContact CE1-CG 4.31Å; F42-E61 HydrophobicContact CZ-CB 4.43Å; F42-E61 HydrophobicContact CZ-CG 4.06Å; K57-E61 PolarHBondContact O-N 3.44Å; K57-E61 VanDerWaalsContact O-N 3.15Å; E61-W63 VanDerWaalsContact C-N 3.33Å; E61-W63 PolarHBondContact O-N 3.46Å; E61-N64 PolarHBondContact O-N 2.97Å; E61-V65 HydrophobicContact CG-CG2 3.97Å; E61-V65 WeakPolarHBondContact O-CB 3.1Å; E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 3.11Å; E61-V65 VanDerWaalsContact OE1-CG2 3.29Å; E61-V65 WeakPolarHBondContact OE1-CG2 3.49Å
62M95.2Very high91.2Very high1 Ų135.2 Ų35.21%0.00517%0.173CC..Hα-helixtrans-54.6-48.9172.7-174.2-171.462.100111.1F42 I46 I58 E59 L66 Y113 L116F42-M62 HydrophobicContact CB-CB 4.18Å; F42-M62 HydrophobicContact CB-CG 3.75Å; F42-M62 HydrophobicContact CB-SD 3.88Å; F42-M62 HydrophobicContact CD1-CB 3.56Å; F42-M62 HydrophobicContact CD1-CG 4.07Å; F42-M62 HydrophobicContact CD2-CB 4.27Å; F42-M62 HydrophobicContact CD2-CG 4.08Å; F42-M62 HydrophobicContact CE1-CB 3.9Å; F42-M62 HydrophobicContact CG-CB 3.77Å; F42-M62 HydrophobicContact CG-CG 3.73Å; F42-M62 HydrophobicContact CZ-CB 4.39Å; I46-M62 HydrophobicContact CD1-CE 3.8Å; I46-M62 HydrophobicContact CD1-SD 3.47Å; I46-M62 WeakPolarHBondContact CD1-SD 3.46Å; I58-M62 WeakPolarHBondContact O-CB 3.08Å; I58-M62 PolarHBondContact O-N 3.18Å; E59-M62 WeakPolarHBondContact O-CB 3.45Å; E59-M62 PolarHBondContact O-N 3.27Å; M62-L66 HydrophobicContact CG-CD1 3.66Å; M62-L66 HydrophobicContact CG-CG 4.46Å; M62-L66 VanDerWaalsContact O-CB 3.3Å; M62-L66 WeakPolarHBondContact O-CB 3.25Å; M62-L66 PolarHBondContact O-N 2.98Å; M62-Y113 HydrophobicContact CE-CE1 3.68Å; M62-L116 HydrophobicContact CE-CD1 3.8Å; M62-L116 HydrophobicContact SD-CD1 4.27Å
63W93.8Very high91Very high0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-59.5-49.9177.8171.7-109.2000112.1E59 L60 E61 Y67 K68 I71 Y113 H270 D273 I274 Y277E59-W63 PolarHBondContact O-N 3.05Å; E59-W63 VanDerWaalsContact O-N 3.07Å; L60-W63 PolarHBondContact O-N 3.45Å; E61-W63 VanDerWaalsContact C-N 3.33Å; E61-W63 PolarHBondContact O-N 3.46Å; W63-Y67 AromaticContact CE3-CD2 3.8Å; W63-Y67 HydrophobicContact CE3-CD2 3.8Å; W63-Y67 HydrophobicContact CE3-CG 4.18Å; W63-Y67 HydrophobicContact CZ3-CD2 4.29Å; W63-Y67 HydrophobicContact CZ3-CG 4.37Å; W63-Y67 CarbonylContact O-C 3.6Å; W63-Y67 WeakPolarHBondContact O-CA 3.49Å; W63-Y67 PolarHBondContact O-N 2.65Å; W63-K68 PolarHBondContact O-N 3.22Å; W63-I71 HydrophobicContact CH2-CD1 4.28Å; W63-Y113 AromaticContact CE3-CE2 3.86Å; W63-Y113 HydrophobicContact CE3-CE2 3.86Å; W63-Y113 HydrophobicContact CZ3-CE2 4.07Å; W63-H270 AromaticContact CD1-CE1 3.43Å; W63-H270 VanDerWaalsContact CD1-CE1 3.43Å; W63-H270 AromaticContact CD2-CE1 3.14Å; W63-H270 AromaticContact CD2-ND1 3.04Å; W63-H270 AromaticContact CE2-CE1 3.33Å; W63-H270 AromaticContact CE2-ND1 3.28Å; W63-H270 VanDerWaalsContact CE2-ND1 3.28Å; W63-H270 HydrophobicContact CE3-CB 4.29Å; W63-H270 AromaticContact CE3-CE1 3.7Å; W63-H270 AromaticContact CE3-CG 3.82Å; W63-H270 AromaticContact CE3-ND1 3.1Å; W63-H270 AromaticContact CG-CE1 3.19Å; W63-H270 AromaticContact CG-ND1 3.63Å; W63-H270 AromaticContact CG-NE2 3.99Å; W63-H270 AromaticContact CH2-ND1 3.61Å; W63-H270 AromaticContact CZ2-CE1 4Å; W63-H270 AromaticContact CZ2-ND1 3.56Å; W63-H270 HydrophobicContact CZ3-CB 4.21Å; W63-H270 AromaticContact CZ3-ND1 3.39Å; W63-H270 WeakPolarHBondContact CZ3-ND1 3.29Å; W63-H270 AromaticContact NE1-CE1 3.47Å; W63-H270 PolarHBondContact NE1-CE1 3.37Å; W63-H270 AromaticContact NE1-ND1 3.92Å; W63-D273 HydrophobicContact CH2-CB 4.08Å; W63-D273 HydrophobicContact CZ2-CB 4.26Å; W63-I274 HydrophobicContact CH2-CG1 4.33Å; W63-I274 HydrophobicContact CZ3-CD1 4.34Å; W63-I274 HydrophobicContact CZ3-CG1 4.23Å; W63-Y277 HydrophobicContact CH2-CE2 4.05Å; W63-Y277 HydrophobicContact CZ2-CE2 4.1Å
64N92.4Very high90.7Very high49 Ų4939.1 Ų39.126%0.26220%0.201SC..Iπ-helixtrans-64-49.8-174.7-70.3-31.8000111.6L60 E61 N69L60-N64 VanDerWaalsContact O-CG 3.25Å; L60-N64 PolarHBondContact O-N 3.49Å; L60-N64 PolarHBondContact O-ND2 3.25Å; L60-N64 VanDerWaalsContact O-ND2 3.12Å; E61-N64 PolarHBondContact O-N 2.97Å; N64-N69 VanDerWaalsContact O-CB 3.29Å; N64-N69 WeakPolarHBondContact O-CB 3.47Å; N64-N69 PolarHBondContact O-N 2.82Å; N64-N69 PolarHBondContact O-ND2 3.16Å; N64-N69 VanDerWaalsContact O-ND2 3.14Å
65V90.9Very high90.4Very high30 Ų3038.7 Ų38.718%0.18220%0.197CC..Iπ-helixtrans-70.6-47.1-175.2172.50000112.5L18 E61L18-V65 HydrophobicContact CD2-CG1 3.72Å; E61-V65 HydrophobicContact CG-CG2 3.97Å; E61-V65 WeakPolarHBondContact O-CB 3.1Å; E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 3.11Å; E61-V65 VanDerWaalsContact OE1-CG2 3.29Å; E61-V65 WeakPolarHBondContact OE1-CG2 3.49Å
66L91.9Very high90.1Very high4 Ų436.6 Ų36.62%0.02119%0.194CC..Iπ-helixtrans-85.1-34-173-63.3179.7000113.1F35 I38 Q39 F42 M62 Q70F35-L66 HydrophobicContact CD1-CD2 3.97Å; I38-L66 HydrophobicContact CB-CD2 4.42Å; I38-L66 HydrophobicContact CG2-CD2 3.87Å; Q39-L66 HydrophobicContact CB-CD1 3.75Å; Q39-L66 HydrophobicContact CG-CD1 3.88Å; F42-L66 HydrophobicContact CD2-CD1 4.08Å; F42-L66 HydrophobicContact CD2-CG 4.45Å; M62-L66 HydrophobicContact CG-CD1 3.66Å; M62-L66 HydrophobicContact CG-CG 4.46Å; M62-L66 VanDerWaalsContact O-CB 3.3Å; M62-L66 WeakPolarHBondContact O-CB 3.25Å; M62-L66 PolarHBondContact O-N 2.98Å; L66-Q70 PolarHBondContact O-NE2 3.41Å
67Y92.2Very high89.8Confident2 Ų235.6 Ų35.61%0.00819%0.191CC..Iπ-helixtrans-121.4-62.6-167.2-51.5-55000112.4W63 N69 Q70 I71 L105 A109 Y113W63-Y67 AromaticContact CE3-CD2 3.8Å; W63-Y67 HydrophobicContact CE3-CD2 3.8Å; W63-Y67 HydrophobicContact CE3-CG 4.18Å; W63-Y67 HydrophobicContact CZ3-CD2 4.29Å; W63-Y67 HydrophobicContact CZ3-CG 4.37Å; W63-Y67 CarbonylContact O-C 3.6Å; W63-Y67 WeakPolarHBondContact O-CA 3.49Å; W63-Y67 PolarHBondContact O-N 2.65Å; Y67-N69 PolarHBondContact O-N 3.35Å; Y67-Q70 PolarHBondContact O-N 3.39Å; Y67-Q70 VanDerWaalsContact O-N 3.12Å; Y67-I71 VanDerWaalsContact O-CG1 3.28Å; Y67-I71 WeakPolarHBondContact O-CG1 3.34Å; Y67-I71 PolarHBondContact O-N 3.46Å; Y67-L105 HydrophobicContact CD1-CD1 4.07Å; Y67-A109 HydrophobicContact CD1-CB 3.53Å; Y67-A109 HydrophobicContact CD2-CB 4.36Å; Y67-A109 HydrophobicContact CE1-CB 3.55Å; Y67-A109 HydrophobicContact CE2-CB 4.37Å; Y67-A109 HydrophobicContact CG-CB 3.96Å; Y67-Y113 AromaticContact CD2-CE2 3.85Å; Y67-Y113 HydrophobicContact CD2-CE2 3.85Å; Y67-Y113 AromaticContact CE2-CE2 3.76Å; Y67-Y113 HydrophobicContact CE2-CE2 3.76Å
68K89.5Confident89.3Confident41 Ų4131.8 Ų31.818%0.17817%0.174CC..Iπ-helixtrans-55.9-56.9-171.7-159.5-161.6169.8-169.20112.4W63 Q70 I71 D72W63-K68 PolarHBondContact O-N 3.22Å; K68-Q70 PolarHBondContact O-N 3.29Å; K68-I71 PolarHBondContact O-N 3.17Å; K68-D72 VanDerWaalsContact CE-OD2 3.3Å; K68-D72 WeakPolarHBondContact CE-OD2 3.37Å; K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 3.11Å
69N89.3Confident88.5Confident96 Ų9633.8 Ų33.851%0.51319%0.185SC..Hα-helixtrans-60.9-25-177-67.3-17.8000112.8N64 Y67 S73N64-N69 VanDerWaalsContact O-CB 3.29Å; N64-N69 WeakPolarHBondContact O-CB 3.47Å; N64-N69 PolarHBondContact O-N 2.82Å; N64-N69 PolarHBondContact O-ND2 3.16Å; N64-N69 VanDerWaalsContact O-ND2 3.14Å; Y67-N69 PolarHBondContact O-N 3.35Å; N69-S73 VanDerWaalsContact O-CB 3.24Å; N69-S73 WeakPolarHBondContact O-CB 3.26Å; N69-S73 PolarHBondContact O-N 2.92Å
70Q89.6Confident87.8Confident52 Ų5238.6 Ų38.624%0.24321%0.208CC..Hα-helixtrans-84.6-39176.3-59.1-164.945.400112.2F35 L66 Y67 K68 L74 L105F35-Q70 VanDerWaalsContact CE1-NE2 3.26Å; F35-Q70 VanDerWaalsContact CZ-NE2 3.33Å; L66-Q70 PolarHBondContact O-NE2 3.41Å; Y67-Q70 PolarHBondContact O-N 3.39Å; Y67-Q70 VanDerWaalsContact O-N 3.12Å; K68-Q70 PolarHBondContact O-N 3.29Å; Q70-L74 WeakPolarHBondContact O-CB 3.43Å; Q70-L74 VanDerWaalsContact O-CG 3.26Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 3.36Å; Q70-L105 HydrophobicContact CB-CD2 3.58Å
71I88.1Confident86.8Confident0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-61-52.8173-69.2165.1000109.7W63 Y67 K68 S73 L74 Q75 L102 L105 L106 Y277W63-I71 HydrophobicContact CH2-CD1 4.28Å; Y67-I71 VanDerWaalsContact O-CG1 3.28Å; Y67-I71 WeakPolarHBondContact O-CG1 3.34Å; Y67-I71 PolarHBondContact O-N 3.46Å; K68-I71 PolarHBondContact O-N 3.17Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.3Å; I71-L74 PolarHBondContact O-N 2.95Å; I71-L74 VanDerWaalsContact O-N 3.15Å; I71-Q75 HydrophobicContact CG2-CG 4.34Å; I71-Q75 WeakPolarHBondContact O-CB 3.44Å; I71-Q75 WeakPolarHBondContact O-CG 3.43Å; I71-Q75 PolarHBondContact O-N 3.27Å; I71-L102 HydrophobicContact CB-CD1 4.49Å; I71-L102 HydrophobicContact CG1-CD1 4.22Å; I71-L102 HydrophobicContact CG2-CD1 4.24Å; I71-L105 HydrophobicContact CG1-CD2 3.73Å; I71-L106 HydrophobicContact CD1-CD2 3.87Å; I71-L106 HydrophobicContact CG1-CD2 4.35Å; I71-Y277 HydrophobicContact CD1-CD2 3.98Å; I71-Y277 HydrophobicContact CD1-CE2 4.08Å; I71-Y277 HydrophobicContact CG2-CD1 4.37Å; I71-Y277 HydrophobicContact CG2-CD2 4.32Å; I71-Y277 HydrophobicContact CG2-CE1 4.43Å; I71-Y277 HydrophobicContact CG2-CE2 4.39Å; I71-Y277 HydrophobicContact CG2-CG 4.35Å
72D87Confident85.5Confident57 Ų5741.9 Ų41.931%0.30522%0.22SC..Hα-helixtrans-59.7-42.5-178.8-60.6-1000110.7K68 S76K68-D72 VanDerWaalsContact CE-OD2 3.3Å; K68-D72 WeakPolarHBondContact CE-OD2 3.37Å; K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 3.11Å; D72-S76 VanDerWaalsContact O-CB 3.3Å; D72-S76 WeakPolarHBondContact O-CB 3.38Å; D72-S76 PolarHBondContact O-N 3.32Å
73S87.1Confident83.9Confident74 Ų7445.5 Ų45.552%0.51725%0.246SC..Hα-helixtrans-63.7-44.3175179.90000112.8N69 I71 L77N69-S73 VanDerWaalsContact O-CB 3.24Å; N69-S73 WeakPolarHBondContact O-CB 3.26Å; N69-S73 PolarHBondContact O-N 2.92Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 3.3Å; S73-L77 WeakPolarHBondContact O-CB 3.49Å; S73-L77 PolarHBondContact O-N 3.37Å; S73-L77 VanDerWaalsContact O-N 3.12Å
74L85.9Confident82.2Confident24 Ų2448.8 Ų48.813%0.12628%0.28CS..Hα-helixtrans-68-40.3179-76169.1000111.5Q70 I71 L78 L98 R101 L102 L105Q70-L74 WeakPolarHBondContact O-CB 3.43Å; Q70-L74 VanDerWaalsContact O-CG 3.26Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 3.36Å; I71-L74 PolarHBondContact O-N 2.95Å; I71-L74 VanDerWaalsContact O-N 3.15Å; L74-L78 VanDerWaalsContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CB 3.4Å; L74-L78 PolarHBondContact O-N 3.47Å; L74-L98 HydrophobicContact CD2-CD2 4.16Å; L74-R101 HydrophobicContact CD1-CB 4.18Å; L74-R101 HydrophobicContact CD2-CB 3.96Å; L74-L102 HydrophobicContact CB-CD1 4.49Å; L74-L102 HydrophobicContact CD1-CB 4.31Å; L74-L102 HydrophobicContact CD1-CD1 4.41Å; L74-L105 HydrophobicContact CD1-CD2 4.07Å
75Q83.5Confident80.2Confident9 Ų952.6 Ų52.64%0.04231%0.305CS..Hα-helixtrans-66.8-44.5176.4-70.9-179.214.700111.9I71 L77 L78 N79 L102I71-Q75 HydrophobicContact CG2-CG 4.34Å; I71-Q75 WeakPolarHBondContact O-CB 3.44Å; I71-Q75 WeakPolarHBondContact O-CG 3.43Å; I71-Q75 PolarHBondContact O-N 3.27Å; Q75-L77 VanDerWaalsContact C-N 3.33Å; Q75-L77 PolarHBondContact O-N 2.99Å; Q75-L78 WeakPolarHBondContact O-CB 3.23Å; Q75-L78 PolarHBondContact O-N 3.07Å; Q75-L78 VanDerWaalsContact O-N 3.15Å; Q75-N79 WeakPolarHBondContact O-CB 3.39Å; Q75-N79 VanDerWaalsContact O-CG 3.26Å; Q75-N79 PolarHBondContact O-N 3.42Å; Q75-N79 PolarHBondContact O-OD1 3.06Å; Q75-L102 HydrophobicContact CG-CD2 4.36Å
76S83.3Confident78Confident59 Ų5953.4 Ų53.441%0.41332%0.32SS..Hα-helixtrans-58-45.7175.4-175.90000111.6D72 L78 N79 Q80D72-S76 VanDerWaalsContact O-CB 3.3Å; D72-S76 WeakPolarHBondContact O-CB 3.38Å; D72-S76 PolarHBondContact O-N 3.32Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 3.11Å; S76-N79 PolarHBondContact O-N 3.45Å; S76-Q80 VanDerWaalsContact O-CG 3.28Å; S76-Q80 WeakPolarHBondContact O-CG 3.25Å; S76-Q80 PolarHBondContact O-N 2.94Å; S76-Q80 PolarHBondContact OG-NE2 3.5Å
77L83.4Confident75.7Confident49 Ų4960.8 Ų60.826%0.25736%0.359SS..Hα-helixtrans-67.2-30.3177.8-170.257.4000113S73 Q75 R81 L91 L98S73-L77 WeakPolarHBondContact O-CB 3.49Å; S73-L77 PolarHBondContact O-N 3.37Å; S73-L77 VanDerWaalsContact O-N 3.12Å; Q75-L77 VanDerWaalsContact C-N 3.33Å; Q75-L77 PolarHBondContact O-N 2.99Å; L77-R81 WeakPolarHBondContact O-CG 3.31Å; L77-R81 PolarHBondContact O-N 3.25Å; L77-L91 HydrophobicContact CD1-CD2 3.61Å; L77-L98 HydrophobicContact CB-CD1 4.45Å; L77-L98 HydrophobicContact CD2-CD1 4.45Å; L77-L98 HydrophobicContact CD2-CD2 3.59Å; L77-L98 HydrophobicContact CG-CD1 3.94Å; L77-L98 HydrophobicContact CG-CD2 3.99Å
78L80.9Confident73.2Confident1 Ų166.8 Ų66.81%0.00540%0.401CS..Hα-helixtrans-72.7-41.3174.7-166.873.3000111.5L74 Q75 S76 R81 L82 T95 L98 K99 L1127 L1130L74-L78 VanDerWaalsContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CB 3.4Å; L74-L78 PolarHBondContact O-N 3.47Å; Q75-L78 WeakPolarHBondContact O-CB 3.23Å; Q75-L78 PolarHBondContact O-N 3.07Å; Q75-L78 VanDerWaalsContact O-N 3.15Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 3.11Å; L78-R81 WeakPolarHBondContact O-CB 3.35Å; L78-R81 PolarHBondContact O-N 3.39Å; L78-L82 PolarHBondContact O-N 3.09Å; L78-T95 HydrophobicContact CD1-CG2 3.63Å; L78-L98 HydrophobicContact CD1-CB 3.69Å; L78-L98 HydrophobicContact CD1-CD1 4.16Å; L78-K99 HydrophobicContact CD1-CG 4.06Å; L78-L1127 HydrophobicContact CD2-CD2 4.28Å; L78-L1130 HydrophobicContact CD1-CD2 4.24Å; L78-L1130 HydrophobicContact CD2-CB 4.26Å; L78-L1130 HydrophobicContact CD2-CD1 3.9Å; L78-L1130 HydrophobicContact CD2-CD2 3.83Å; L78-L1130 HydrophobicContact CD2-CG 4.23Å; L78-L1130 HydrophobicContact CG-CD1 4.23Å; L78-L1130 HydrophobicContact CG-CD2 3.62Å; L78-L1130 HydrophobicContact CG-CG 4.47Å
79N77.5Confident70.9Confident42 Ų4267.4 Ų67.423%0.22542%0.419CS..Hα-helixtrans-67.6-45.8177.2-69.2-6.3000111.5Q75 S76 R81 L82 S83 L1130Q75-N79 WeakPolarHBondContact O-CB 3.39Å; Q75-N79 VanDerWaalsContact O-CG 3.26Å; Q75-N79 PolarHBondContact O-N 3.42Å; Q75-N79 PolarHBondContact O-OD1 3.06Å; S76-N79 PolarHBondContact O-N 3.45Å; N79-R81 PolarHBondContact O-N 3.32Å; N79-R81 VanDerWaalsContact O-N 3.11Å; N79-L82 PolarHBondContact O-N 2.73Å; N79-S83 PolarHBondContact O-N 2.97Å; N79-S83 PolarHBondContact O-OG 2.93Å; N79-L1130 WeakPolarHBondContact OD1-CD1 3.34Å
80Q76.5Confident68.9Low103 Ų10368.1 Ų68.148%0.48143%0.431SS..Hα-helixtrans-54.3-31.2173.5-7317226.800112.8S76S76-Q80 VanDerWaalsContact O-CG 3.28Å; S76-Q80 WeakPolarHBondContact O-CG 3.25Å; S76-Q80 PolarHBondContact O-N 2.94Å; S76-Q80 PolarHBondContact OG-NE2 3.5Å
81R71Confident67.2Low92 Ų9268.8 Ų68.835%0.34744%0.437SS..Hα-helixtrans-78.8-21.2176.1-78.5-67.7-126168-0.2114.3L77 L78 N79 L91 C93 L98L77-R81 WeakPolarHBondContact O-CG 3.31Å; L77-R81 PolarHBondContact O-N 3.25Å; L78-R81 WeakPolarHBondContact O-CB 3.35Å; L78-R81 PolarHBondContact O-N 3.39Å; N79-R81 PolarHBondContact O-N 3.32Å; N79-R81 VanDerWaalsContact O-N 3.11Å; R81-L91 PolarHBondContact NH2-O 3.02Å; R81-C93 PolarHBondContact NE-O 2.95Å; R81-C93 PolarHBondContact NH2-O 3.17Å; R81-L98 HydrophobicContact CG-CD1 4.36Å
82L67.2Low65.9Low94 Ų9478.1 Ų78.149%0.49248%0.477SS..Hα-helixtrans-87.6-42.3172-82.5-163.5000113.2L78 N79 G84 L1130L78-L82 PolarHBondContact O-N 3.09Å; N79-L82 PolarHBondContact O-N 2.73Å; L82-G84 PolarHBondContact O-N 3.44Å; L82-L1130 HydrophobicContact CD1-CD1 4.13Å; L82-L1130 HydrophobicContact CD1-CD2 3.3Å; L82-L1130 HydrophobicContact CD1-CG 3.5Å; L82-L1130 VanDerWaalsContact CD1-CG 3.5Å; L82-L1130 HydrophobicContact CD2-CD2 4.2Å; L82-L1130 HydrophobicContact CG-CD2 3.53Å; L82-L1130 HydrophobicContact CG-CG 4.28Å
83S60.5Low64.9Low78 Ų7876.2 Ų76.255%0.54547%0.468SS..SBendtrans-64.7-8.9-170.6-55.60000114.5N79 T85N79-S83 PolarHBondContact O-N 2.97Å; N79-S83 PolarHBondContact O-OG 2.93Å; S83-T85 WeakPolarHBondContact O-CG2 3.42Å; S83-T85 PolarHBondContact O-N 3.01Å; S83-T85 PolarHBondContact O-OG1 3.19Å
84G58.8Low64.3Low69 Ų6973.1 Ų73.171%0.71145%0.447SS*.SBendtrans69.2-4173.800000115.5L82L82-G84 PolarHBondContact O-N 3.44Å
85T50.1Low63.9Low128 Ų12874 Ų7479%0.78545%0.453SS*.  trans-96.4-3.1-168.340.90000114.8S83S83-T85 WeakPolarHBondContact O-CG2 3.42Å; S83-T85 PolarHBondContact O-N 3.01Å; S83-T85 PolarHBondContact O-OG1 3.19Å
86G44.2Very low63.4Low48 Ų4875 Ų7550%0.49546%0.458SS..SBendtrans-83.9129.8168.300000111.3S88G86-S88 PolarHBondContact O-N 2.93Å
87N44.2Very low63.1Low159 Ų15972.6 Ų72.685%0.8544%0.44SS*.  trans-48.7129.3171.1-81.9-30.4000110.4G89N87-G89 PolarHBondContact O-N 3.14Å
88S40Very low63Low127 Ų12770.4 Ų70.489%0.88843%0.429SS*.SBendtrans-72.824.4-168.3-151.10000115.3G86G86-S88 PolarHBondContact O-N 2.93Å
89G40.8Very low62.9Low54 Ų5472.4 Ų72.456%0.55744%0.437SS*.SBendtrans-98.7136.5178.500000113.1N87 L91N87-G89 PolarHBondContact O-N 3.14Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 3.18Å; G89-L91 VanDerWaalsContact O-N 3.16Å
90S46.8Very low63Low111 Ų11171 Ų7178%0.77643%0.43SS*.SBendtrans67.56.7162.4-151.10000119.2K92S90-K92 PolarHBondContact O-N 3.34Å
91L54.1Low63.3Low67 Ų6770 Ų7035%0.35142%0.422SS..  trans-77.385.7169.3-85.4166.7000111.8L77 R81 G89 C93L77-L91 HydrophobicContact CD1-CD2 3.61Å; R81-L91 PolarHBondContact NH2-O 3.02Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 3.18Å; G89-L91 VanDerWaalsContact O-N 3.16Å; L91-C93 PolarHBondContact O-N 3.38Å
92K60.5Low64Low195 Ų19565.9 Ų65.985%0.84841%0.406SS*.  trans-57.9-10.5-174.1-65.9-177178.7178.70116.8S90S90-K92 PolarHBondContact O-N 3.34Å
93C66.4Low64.7Low17 Ų1763.8 Ų63.812%0.11540%0.397CS..SBendtrans-111.6133.8-170.4-167.70000111.3R81 L91 L98 R101R81-C93 PolarHBondContact NE-O 2.95Å; R81-C93 PolarHBondContact NH2-O 3.17Å; L91-C93 PolarHBondContact O-N 3.38Å; C93-L98 HydrophobicContact CB-CD2 4.24Å; C93-L98 HydrophobicContact CB-CG 4.47Å; C93-L98 WeakPolarHBondContact SG-CD2 3.23Å; C93-R101 PolarHBondContact SG-NH1 3.02Å
94S74.9Confident65.8Low10 Ų1062 Ų627%0.0738%0.381CS..  trans-79.8155.6172.871.80000111.4M96 E97 L98 S1063S94-M96 PolarHBondContact O-N 2.94Å; S94-E97 WeakPolarHBondContact O-CB 3.23Å; S94-E97 PolarHBondContact O-N 3.21Å; S94-E97 PolarHBondContact OG-N 2.91Å; S94-L98 PolarHBondContact O-N 2.83Å; S94-L98 VanDerWaalsContact O-N 3.14Å; S94-S1063 PolarHBondContact OG-O 3.34Å
95T76.5Confident67.1Low41 Ų4159.6 Ų59.625%0.25235%0.352SS..Hα-helixtrans-61.3-33.9-179.5-44.40000111.7L78 L98 K99L78-T95 HydrophobicContact CD1-CG2 3.63Å; T95-L98 PolarHBondContact O-N 3.37Å; T95-K99 WeakPolarHBondContact O-CG 3.41Å; T95-K99 PolarHBondContact O-N 3.12Å; T95-K99 VanDerWaalsContact O-N 3.09Å
96M74.1Confident68.9Low32 Ų3253.7 Ų53.716%0.15832%0.316CS..Hα-helixtrans-66.9-38.5174-174.857.7164.200112.2S94 L98 K99 L100 L1064 L1080 K1083S94-M96 PolarHBondContact O-N 2.94Å; M96-L98 VanDerWaalsContact C-N 3.32Å; M96-L98 PolarHBondContact O-N 2.86Å; M96-K99 PolarHBondContact O-N 3.01Å; M96-L100 HydrophobicContact CE-CD1 4.21Å; M96-L100 HydrophobicContact CE-CG 4.47Å; M96-L100 HydrophobicContact CG-CD1 4.04Å; M96-L100 VanDerWaalsContact O-CG 3.32Å; M96-L100 WeakPolarHBondContact O-CG 3.47Å; M96-L100 PolarHBondContact O-N 2.86Å; M96-L100 HydrophobicContact SD-CD1 4.37Å; M96-L100 HydrophobicContact SD-CG 4.42Å; M96-L1064 HydrophobicContact CB-CD2 4.08Å; M96-L1064 HydrophobicContact CG-CD2 4.07Å; M96-L1080 HydrophobicContact CE-CD1 4.25Å; M96-K1083 HydrophobicContact CE-CB 3.89Å; M96-K1083 HydrophobicContact CE-CD 3.93Å
97E77.1Confident70.7Confident7 Ų753.1 Ų53.13%0.03330%0.301CS..Hα-helixtrans-64.3-37.7176.7-162.9177.411900111.6S94 L100 R101 L1064 S1065 F1068S94-E97 WeakPolarHBondContact O-CB 3.23Å; S94-E97 PolarHBondContact O-N 3.21Å; S94-E97 PolarHBondContact OG-N 2.91Å; E97-L100 PolarHBondContact O-N 3.4Å; E97-R101 PolarHBondContact O-N 3.35Å; E97-R101 IonicContact OE1-CZ 3.44Å; E97-R101 IonicContact OE1-NH1 2.65Å; E97-R101 PolarHBondContact OE1-NH1 3.38Å; E97-R101 IonicContact OE1-NH2 2.75Å; E97-R101 PolarHBondContact OE1-NH2 3.38Å; E97-L1064 VanDerWaalsContact CA-CD2 3.45Å; E97-L1064 HydrophobicContact CB-CD2 3.47Å; E97-L1064 VanDerWaalsContact CB-CD2 3.47Å; E97-L1064 HydrophobicContact CG-CD2 4.05Å; E97-L1064 VanDerWaalsContact N-CD2 3.31Å; E97-S1065 VanDerWaalsContact CD-OG 3.32Å; E97-S1065 PolarHBondContact OE1-OG 3.11Å; E97-S1065 VanDerWaalsContact OE2-CB 3.3Å; E97-S1065 WeakPolarHBondContact OE2-CB 3.32Å; E97-S1065 PolarHBondContact OE2-N 3.08Å; E97-S1065 PolarHBondContact OE2-OG 3.38Å; E97-F1068 HydrophobicContact CG-CB 4.02Å; E97-F1068 HydrophobicContact CG-CD1 3.66Å; E97-F1068 HydrophobicContact CG-CD2 3.97Å; E97-F1068 HydrophobicContact CG-CE1 4.06Å; E97-F1068 HydrophobicContact CG-CE2 4.35Å; E97-F1068 HydrophobicContact CG-CG 3.6Å; E97-F1068 HydrophobicContact CG-CZ 4.38Å
98L80.2Confident72.7Confident4 Ų449.7 Ų49.72%0.02128%0.277CS..Hα-helixtrans-65.2-47.3173.8-64.1174.8000112.2L74 L77 L78 R81 C93 S94 T95 M96 L100 R101 L102L74-L98 HydrophobicContact CD2-CD2 4.16Å; L77-L98 HydrophobicContact CB-CD1 4.45Å; L77-L98 HydrophobicContact CD2-CD1 4.45Å; L77-L98 HydrophobicContact CD2-CD2 3.59Å; L77-L98 HydrophobicContact CG-CD1 3.94Å; L77-L98 HydrophobicContact CG-CD2 3.99Å; L78-L98 HydrophobicContact CD1-CB 3.69Å; L78-L98 HydrophobicContact CD1-CD1 4.16Å; R81-L98 HydrophobicContact CG-CD1 4.36Å; C93-L98 HydrophobicContact CB-CD2 4.24Å; C93-L98 HydrophobicContact CB-CG 4.47Å; C93-L98 WeakPolarHBondContact SG-CD2 3.23Å; S94-L98 PolarHBondContact O-N 2.83Å; S94-L98 VanDerWaalsContact O-N 3.14Å; T95-L98 PolarHBondContact O-N 3.37Å; M96-L98 VanDerWaalsContact C-N 3.32Å; M96-L98 PolarHBondContact O-N 2.86Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 3.06Å; L98-R101 PolarHBondContact O-N 2.86Å; L98-L102 PolarHBondContact O-N 3.06Å
99K80.4Confident75.1Confident43 Ų4343.7 Ų43.719%0.18723%0.234CC..Hα-helixtrans-56.5-43.6175.2-66.6175.4-158.1-160.40111.1L78 T95 M96 L102 V103 L1130 L1131L78-K99 HydrophobicContact CD1-CG 4.06Å; T95-K99 WeakPolarHBondContact O-CG 3.41Å; T95-K99 PolarHBondContact O-N 3.12Å; T95-K99 VanDerWaalsContact O-N 3.09Å; M96-K99 PolarHBondContact O-N 3.01Å; K99-L102 PolarHBondContact O-N 3.47Å; K99-V103 WeakPolarHBondContact O-CG2 3.43Å; K99-V103 PolarHBondContact O-N 2.94Å; K99-L1130 VanDerWaalsContact CD-O 3.29Å; K99-L1130 WeakPolarHBondContact CD-O 3.29Å; K99-L1130 WeakPolarHBondContact CE-O 3.4Å; K99-L1130 PolarHBondContact NZ-O 3.37Å; K99-L1131 HydrophobicContact CB-CD2 4.37Å; K99-L1131 HydrophobicContact CD-CD2 4.38Å; K99-L1131 HydrophobicContact CG-CD2 4.12Å
100L79.8Confident77.3Confident11 Ų1141.5 Ų41.56%0.05821%0.211CC..Hα-helixtrans-68.8-40.7179.8-69.4165.5000112.4M96 E97 L98 L102 V103 L104 L1064 F1068 L1080M96-L100 HydrophobicContact CE-CD1 4.21Å; M96-L100 HydrophobicContact CE-CG 4.47Å; M96-L100 HydrophobicContact CG-CD1 4.04Å; M96-L100 VanDerWaalsContact O-CG 3.32Å; M96-L100 WeakPolarHBondContact O-CG 3.47Å; M96-L100 PolarHBondContact O-N 2.86Å; M96-L100 HydrophobicContact SD-CD1 4.37Å; M96-L100 HydrophobicContact SD-CG 4.42Å; E97-L100 PolarHBondContact O-N 3.4Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 3.06Å; L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 PolarHBondContact O-N 2.98Å; L100-V103 PolarHBondContact O-N 3.02Å; L100-L104 WeakPolarHBondContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CD1 3.35Å; L100-L104 VanDerWaalsContact O-CG 3.23Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.02Å; L100-L1064 HydrophobicContact CD1-CD1 4.04Å; L100-L1064 HydrophobicContact CD1-CD2 4.19Å; L100-F1068 HydrophobicContact CB-CE1 3.89Å; L100-F1068 HydrophobicContact CB-CZ 3.71Å; L100-F1068 HydrophobicContact CD1-CE1 3.93Å; L100-L1080 HydrophobicContact CD1-CD1 4.03Å
101R82.9Confident79Confident84 Ų8438.2 Ų38.232%0.31719%0.194SC..Hα-helixtrans-59-42.8171.5-78.3-166.3-178.992.710.8112.4L74 C93 E97 L98 L104 L105 F1068L74-R101 HydrophobicContact CD1-CB 4.18Å; L74-R101 HydrophobicContact CD2-CB 3.96Å; C93-R101 PolarHBondContact SG-NH1 3.02Å; E97-R101 PolarHBondContact O-N 3.35Å; E97-R101 IonicContact OE1-CZ 3.44Å; E97-R101 IonicContact OE1-NH1 2.65Å; E97-R101 PolarHBondContact OE1-NH1 3.38Å; E97-R101 IonicContact OE1-NH2 2.75Å; E97-R101 PolarHBondContact OE1-NH2 3.38Å; L98-R101 PolarHBondContact O-N 2.86Å; R101-L104 PolarHBondContact O-N 3.41Å; R101-L105 WeakPolarHBondContact O-CB 3.49Å; R101-L105 PolarHBondContact O-N 3.29Å; R101-F1068 HydrophobicContact CG-CD2 4.48Å; R101-F1068 HydrophobicContact CG-CE2 3.74Å; R101-F1068 HydrophobicContact CG-CZ 4.35Å
102L84.9Confident80.8Confident4 Ų436.5 Ų36.52%0.02119%0.185CC..Hα-helixtrans-64.7-43.8178.2-177.660.6000111.7I71 L74 Q75 L98 K99 L100 L105 L106I71-L102 HydrophobicContact CB-CD1 4.49Å; I71-L102 HydrophobicContact CG1-CD1 4.22Å; I71-L102 HydrophobicContact CG2-CD1 4.24Å; L74-L102 HydrophobicContact CB-CD1 4.49Å; L74-L102 HydrophobicContact CD1-CB 4.31Å; L74-L102 HydrophobicContact CD1-CD1 4.41Å; Q75-L102 HydrophobicContact CG-CD2 4.36Å; L98-L102 PolarHBondContact O-N 3.06Å; K99-L102 PolarHBondContact O-N 3.47Å; L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 PolarHBondContact O-N 2.98Å; L102-L105 PolarHBondContact O-N 2.85Å; L102-L106 HydrophobicContact CD1-CD1 4.1Å; L102-L106 HydrophobicContact CD1-CG 4.27Å; L102-L106 HydrophobicContact CG-CD1 3.99Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 VanDerWaalsContact O-CG 3.27Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 3.19Å
103V81.8Confident82.3Confident50 Ų5027.2 Ų27.230%0.30314%0.144SC..Hα-helixtrans-62.6-44.2175.21710000111.8K99 L100 L105 L106 D107K99-V103 WeakPolarHBondContact O-CG2 3.43Å; K99-V103 PolarHBondContact O-N 2.94Å; L100-V103 PolarHBondContact O-N 3.02Å; V103-L105 VanDerWaalsContact C-N 3.33Å; V103-L105 PolarHBondContact O-N 3.38Å; V103-L106 PolarHBondContact O-N 3.06Å; V103-D107 WeakPolarHBondContact O-CB 3.11Å; V103-D107 PolarHBondContact O-N 2.69Å
104L82.5Confident83.1Confident41 Ų4129.1 Ų29.122%0.21515%0.151CC..Hα-helixtrans-57.4-44.5176-75.8163.1000112.2L100 R101 R108 F1068 L1072 Y1076L100-L104 WeakPolarHBondContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CD1 3.35Å; L100-L104 VanDerWaalsContact O-CG 3.23Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.02Å; R101-L104 PolarHBondContact O-N 3.41Å; L104-R108 WeakPolarHBondContact O-CB 3.28Å; L104-R108 PolarHBondContact O-N 3.05Å; L104-F1068 HydrophobicContact CD1-CE2 4.07Å; L104-F1068 HydrophobicContact CD1-CZ 3.91Å; L104-L1072 HydrophobicContact CD1-CD1 3.89Å; L104-L1072 HydrophobicContact CD2-CD1 4.43Å; L104-Y1076 HydrophobicContact CD2-CD1 3.85Å; L104-Y1076 HydrophobicContact CD2-CD2 3.34Å; L104-Y1076 HydrophobicContact CD2-CE1 3.98Å; L104-Y1076 HydrophobicContact CD2-CE2 3.48Å; L104-Y1076 VanDerWaalsContact CD2-CE2 3.48Å; L104-Y1076 HydrophobicContact CD2-CG 3.53Å; L104-Y1076 HydrophobicContact CG-CG 4.49Å
105L87.2Confident83.7Confident19 Ų1931.5 Ų31.510%0.09916%0.163CC..Hα-helixtrans-65.8-44.4179.2-179.264.4000111.8Y67 Q70 I71 L74 R101 L102 V103 R108 A109Y67-L105 HydrophobicContact CD1-CD1 4.07Å; Q70-L105 HydrophobicContact CB-CD2 3.58Å; I71-L105 HydrophobicContact CG1-CD2 3.73Å; L74-L105 HydrophobicContact CD1-CD2 4.07Å; R101-L105 WeakPolarHBondContact O-CB 3.49Å; R101-L105 PolarHBondContact O-N 3.29Å; L102-L105 PolarHBondContact O-N 2.85Å; V103-L105 VanDerWaalsContact C-N 3.33Å; V103-L105 PolarHBondContact O-N 3.38Å; L105-R108 PolarHBondContact O-N 3.01Å; L105-A109 WeakPolarHBondContact O-CB 3.39Å; L105-A109 PolarHBondContact O-N 3.42Å
106L87.4Confident84.5Confident4 Ų429.6 Ų29.62%0.02115%0.151CC..Hα-helixtrans-67.6-40178.6-68.1171.3000112.1I71 L102 V103 A109 S110 I274 Y277 R278I71-L106 HydrophobicContact CD1-CD2 3.87Å; I71-L106 HydrophobicContact CG1-CD2 4.35Å; L102-L106 HydrophobicContact CD1-CD1 4.1Å; L102-L106 HydrophobicContact CD1-CG 4.27Å; L102-L106 HydrophobicContact CG-CD1 3.99Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 VanDerWaalsContact O-CG 3.27Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 3.19Å; V103-L106 PolarHBondContact O-N 3.06Å; L106-A109 PolarHBondContact O-N 3.09Å; L106-S110 VanDerWaalsContact O-CB 3.26Å; L106-S110 WeakPolarHBondContact O-CB 3.48Å; L106-S110 PolarHBondContact O-N 3.25Å; L106-I274 HydrophobicContact CB-CG2 4.2Å; L106-I274 HydrophobicContact CD2-CB 4.41Å; L106-I274 HydrophobicContact CD2-CG1 4.27Å; L106-I274 HydrophobicContact CD2-CG2 4.11Å; L106-Y277 HydrophobicContact CD2-CD2 4.01Å; L106-Y277 HydrophobicContact CD2-CG 4.36Å; L106-R278 HydrophobicContact CB-CG 4.39Å; L106-R278 HydrophobicContact CD1-CG 4.11Å
107D82.8Confident85.1Confident35 Ų3528.1 Ų28.119%0.18714%0.144CC..Hα-helixtrans-64-41.3174.1-85.923000111.9V103 G111 R278 R1075 Y1076V103-D107 WeakPolarHBondContact O-CB 3.11Å; V103-D107 PolarHBondContact O-N 2.69Å; D107-G111 PolarHBondContact O-N 3.48Å; D107-R278 IonicContact OD1-CZ 2.85Å; D107-R278 IonicContact OD1-NE 3.68Å; D107-R278 PolarHBondContact OD1-NE 3.25Å; D107-R278 IonicContact OD1-NH2 3.39Å; D107-R278 PolarHBondContact OD1-NH2 3.49Å; D107-R1075 IonicContact OD2-CZ 2.62Å; D107-R1075 IonicContact OD2-NH1 3.24Å; D107-R1075 PolarHBondContact OD2-NH1 2.82Å; D107-Y1076 WeakPolarHBondContact CB-OH 3.3Å; D107-Y1076 PolarHBondContact OD2-OH 2.87Å
108R86.5Confident85.4Confident88 Ų8834.3 Ų34.333%0.33217%0.168SC..Hα-helixtrans-62.5-49.9173.9-178.7175178.3137.56.2112A36 Q39 L104 L105 S110 G111 I112A36-R108 VanDerWaalsContact CA-NH2 3.28Å; Q39-R108 VanDerWaalsContact OE1-CZ 3.3Å; L104-R108 WeakPolarHBondContact O-CB 3.28Å; L104-R108 PolarHBondContact O-N 3.05Å; L105-R108 PolarHBondContact O-N 3.01Å; R108-S110 VanDerWaalsContact C-N 3.33Å; R108-S110 PolarHBondContact O-N 3.08Å; R108-G111 PolarHBondContact O-N 3.3Å; R108-I112 WeakPolarHBondContact O-CG1 3.32Å; R108-I112 PolarHBondContact O-N 3.49Å
109A89.8Confident85.8Confident0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-59.7-44.2179.300000111.6Y67 L105 L106 G111 I112 Y113 I274Y67-A109 HydrophobicContact CD1-CB 3.53Å; Y67-A109 HydrophobicContact CD2-CB 4.36Å; Y67-A109 HydrophobicContact CE1-CB 3.55Å; Y67-A109 HydrophobicContact CE2-CB 4.37Å; Y67-A109 HydrophobicContact CG-CB 3.96Å; L105-A109 WeakPolarHBondContact O-CB 3.39Å; L105-A109 PolarHBondContact O-N 3.42Å; L106-A109 PolarHBondContact O-N 3.09Å; A109-G111 PolarHBondContact O-N 3.18Å; A109-I112 PolarHBondContact O-N 3.25Å; A109-Y113 WeakPolarHBondContact O-CD2 3.26Å; A109-Y113 PolarHBondContact O-N 3.39Å; A109-I274 HydrophobicContact CB-CD1 3.55Å; A109-I274 HydrophobicContact CB-CG1 4.24Å
110S86.2Confident86.1Confident9 Ų935.6 Ų35.66%0.06318%0.175CC..Hα-helixtrans-56.6-48.8179-163.20000111.7L106 R108 I112 Y113 F114 R278L106-S110 VanDerWaalsContact O-CB 3.26Å; L106-S110 WeakPolarHBondContact O-CB 3.48Å; L106-S110 PolarHBondContact O-N 3.25Å; R108-S110 VanDerWaalsContact C-N 3.33Å; R108-S110 PolarHBondContact O-N 3.08Å; S110-I112 VanDerWaalsContact C-N 3.33Å; S110-I112 PolarHBondContact O-N 3.29Å; S110-Y113 PolarHBondContact O-N 3.07Å; S110-F114 VanDerWaalsContact O-CD2 3.25Å; S110-F114 WeakPolarHBondContact O-CD2 3.36Å; S110-F114 PolarHBondContact O-N 3.45Å; S110-F114 VanDerWaalsContact O-N 3.08Å; S110-R278 PolarHBondContact OG-NH1 3.28Å; S110-R278 VanDerWaalsContact OG-NH1 3.08Å; S110-R278 PolarHBondContact OG-NH2 2.98Å
111G83Confident86.2Confident41 Ų4135.1 Ų35.142%0.42317%0.172SC..Hα-helixtrans-64.6-34.7179.600000113.7D107 R108 A109 N115D107-G111 PolarHBondContact O-N 3.48Å; R108-G111 PolarHBondContact O-N 3.3Å; A109-G111 PolarHBondContact O-N 3.18Å; G111-N115 WeakPolarHBondContact O-CB 3.37Å; G111-N115 PolarHBondContact O-N 2.96Å
112I91.2Very high86Confident31 Ų3136.4 Ų36.416%0.15918%0.182CC..Hα-helixtrans-72.1-43.2178.4-64.3-61.8000111.8Q39 V43 R108 A109 S110 N115 L116Q39-I112 HydrophobicContact CG-CG1 4.47Å; V43-I112 HydrophobicContact CG2-CG2 3.84Å; R108-I112 WeakPolarHBondContact O-CG1 3.32Å; R108-I112 PolarHBondContact O-N 3.49Å; A109-I112 PolarHBondContact O-N 3.25Å; S110-I112 VanDerWaalsContact C-N 3.33Å; S110-I112 PolarHBondContact O-N 3.29Å; I112-N115 PolarHBondContact O-N 2.88Å; I112-L116 HydrophobicContact CG2-CD1 4.1Å; I112-L116 HydrophobicContact CG2-CG 4.5Å; I112-L116 WeakPolarHBondContact O-CB 3.31Å; I112-L116 WeakPolarHBondContact O-CG 3.34Å; I112-L116 PolarHBondContact O-N 3.08Å
113Y91.8Very high85.6Confident0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-67-37176.5-80.6-68.2000112.9M62 W63 Y67 A109 S110 L116 I117 H266 C267 H270 I274M62-Y113 HydrophobicContact CE-CE1 3.68Å; W63-Y113 AromaticContact CE3-CE2 3.86Å; W63-Y113 HydrophobicContact CE3-CE2 3.86Å; W63-Y113 HydrophobicContact CZ3-CE2 4.07Å; Y67-Y113 AromaticContact CD2-CE2 3.85Å; Y67-Y113 HydrophobicContact CD2-CE2 3.85Å; Y67-Y113 AromaticContact CE2-CE2 3.76Å; Y67-Y113 HydrophobicContact CE2-CE2 3.76Å; A109-Y113 WeakPolarHBondContact O-CD2 3.26Å; A109-Y113 PolarHBondContact O-N 3.39Å; S110-Y113 PolarHBondContact O-N 3.07Å; Y113-L116 HydrophobicContact CD1-CD1 4.19Å; Y113-L116 HydrophobicContact CE1-CD1 4.48Å; Y113-L116 PolarHBondContact O-N 3.45Å; Y113-I117 WeakPolarHBondContact O-CG1 3.27Å; Y113-I117 PolarHBondContact O-N 3.21Å; Y113-I117 VanDerWaalsContact O-N 3.12Å; Y113-H266 AromaticContact CE1-CD2 3.87Å; Y113-H266 AromaticContact CE1-NE2 3.74Å; Y113-C267 HydrophobicContact CD1-CB 3.82Å; Y113-H270 HydrophobicContact CD1-CB 4.18Å; Y113-H270 HydrophobicContact CD2-CB 4.11Å; Y113-H270 HydrophobicContact CE1-CB 3.84Å; Y113-H270 HydrophobicContact CE2-CB 3.79Å; Y113-H270 HydrophobicContact CG-CB 4.29Å; Y113-H270 AromaticContact CZ-CG 3.9Å; Y113-I274 HydrophobicContact CD2-CD1 3.84Å; Y113-I274 HydrophobicContact CE2-CD1 4.34Å
114F85Confident85.1Confident58 Ų5840.4 Ų40.425%0.25421%0.207SC..Hα-helixtrans-59.9-48.3169.7-88.8-62.7000112.4S110 L116 I117 Y118 L137 L271 Y287S110-F114 VanDerWaalsContact O-CD2 3.25Å; S110-F114 WeakPolarHBondContact O-CD2 3.36Å; S110-F114 PolarHBondContact O-N 3.45Å; S110-F114 VanDerWaalsContact O-N 3.08Å; F114-L116 VanDerWaalsContact C-N 3.34Å; F114-L116 PolarHBondContact O-N 2.94Å; F114-I117 PolarHBondContact O-N 3.48Å; F114-Y118 PolarHBondContact O-N 2.98Å; F114-Y118 VanDerWaalsContact O-N 3.13Å; F114-L137 HydrophobicContact CD1-CD2 4.25Å; F114-L137 HydrophobicContact CE1-CD2 3.87Å; F114-L271 HydrophobicContact CD1-CD1 4.17Å; F114-L271 HydrophobicContact CD2-CD2 3.96Å; F114-L271 HydrophobicContact CE1-CD1 4.33Å; F114-L271 HydrophobicContact CE2-CD2 4.13Å; F114-L271 HydrophobicContact CG-CD1 4.33Å; F114-L271 HydrophobicContact CG-CD2 4.37Å; F114-Y287 HydrophobicContact CE1-CE1 4.41Å; F114-Y287 HydrophobicContact CZ-CE1 4.16Å; F114-Y287 WeakPolarHBondContact CZ-OH 3.36Å
115N87.4Confident84.3Confident60 Ų6040.7 Ų40.732%0.32121%0.212SC..Hα-helixtrans-64.7-36.8179.4175.477.6000112.5G111 I112 Y118 Q119G111-N115 WeakPolarHBondContact O-CB 3.37Å; G111-N115 PolarHBondContact O-N 2.96Å; I112-N115 PolarHBondContact O-N 2.88Å; N115-Y118 PolarHBondContact O-N 3.37Å; N115-Q119 VanDerWaalsContact CG-NE2 3.32Å; N115-Q119 PolarHBondContact ND2-NE2 3.16Å; N115-Q119 WeakPolarHBondContact O-CG 3.49Å; N115-Q119 PolarHBondContact O-N 3.43Å; N115-Q119 PolarHBondContact OD1-NE2 3.28Å
116L91.7Very high83.2Confident1 Ų147.9 Ų47.91%0.00525%0.245CC..Hα-helixtrans-59.9-47.3173-81.4168000111.3V43 I46 I47 M62 I112 Y113 F114 Y118 Q119 L120V43-L116 HydrophobicContact CB-CD2 4.45Å; V43-L116 HydrophobicContact CG1-CD2 4.08Å; V43-L116 HydrophobicContact CG2-CD1 4.47Å; V43-L116 HydrophobicContact CG2-CD2 4.25Å; V43-L116 HydrophobicContact CG2-CG 4.43Å; I46-L116 HydrophobicContact CB-CD2 4.25Å; I46-L116 HydrophobicContact CD1-CD1 4.49Å; I46-L116 HydrophobicContact CD1-CD2 4.47Å; I46-L116 HydrophobicContact CG2-CD2 3.87Å; I47-L116 HydrophobicContact CD1-CD2 3.99Å; I47-L116 HydrophobicContact CG1-CD2 3.87Å; M62-L116 HydrophobicContact CE-CD1 3.8Å; M62-L116 HydrophobicContact SD-CD1 4.27Å; I112-L116 HydrophobicContact CG2-CD1 4.1Å; I112-L116 HydrophobicContact CG2-CG 4.5Å; I112-L116 WeakPolarHBondContact O-CB 3.31Å; I112-L116 WeakPolarHBondContact O-CG 3.34Å; I112-L116 PolarHBondContact O-N 3.08Å; Y113-L116 HydrophobicContact CD1-CD1 4.19Å; Y113-L116 HydrophobicContact CE1-CD1 4.48Å; Y113-L116 PolarHBondContact O-N 3.45Å; F114-L116 VanDerWaalsContact C-N 3.34Å; F114-L116 PolarHBondContact O-N 2.94Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; L116-Y118 PolarHBondContact O-N 2.78Å; L116-Q119 PolarHBondContact O-N 3.2Å; L116-L120 HydrophobicContact CB-CD1 4.45Å; L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.43Å; L116-L120 WeakPolarHBondContact O-CD1 3.39Å; L116-L120 VanDerWaalsContact O-CG 3.23Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.29Å
117I87.5Confident81.9Confident0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-59.4-44.2177.5-64.5162.4000111Y113 F114 Q119 L120 L121 L137 V264 C267 L268 L271Y113-I117 WeakPolarHBondContact O-CG1 3.27Å; Y113-I117 PolarHBondContact O-N 3.21Å; Y113-I117 VanDerWaalsContact O-N 3.12Å; F114-I117 PolarHBondContact O-N 3.48Å; I117-Q119 PolarHBondContact O-N 2.83Å; I117-L120 PolarHBondContact O-N 2.86Å; I117-L121 HydrophobicContact CG2-CD1 3.66Å; I117-L121 HydrophobicContact CG2-CG 4.13Å; I117-L121 WeakPolarHBondContact O-CB 3.39Å; I117-L121 VanDerWaalsContact O-CG 3.32Å; I117-L121 WeakPolarHBondContact O-CG 3.29Å; I117-L121 PolarHBondContact O-N 2.97Å; I117-L137 HydrophobicContact CG2-CD1 3.6Å; I117-V264 HydrophobicContact CG1-CG1 4.49Å; I117-V264 HydrophobicContact CG2-CG1 4.13Å; I117-C267 HydrophobicContact CD1-CB 3.69Å; I117-C267 HydrophobicContact CG1-CB 3.4Å; I117-L268 HydrophobicContact CD1-CD2 3.86Å; I117-L268 HydrophobicContact CD1-CG 3.91Å; I117-L271 HydrophobicContact CD1-CD1 3.67Å
118Y83.3Confident80.6Confident138 Ų13852.1 Ų52.154%0.54127%0.271SS..Hα-helixtrans-59.6-48.5177.6-175.7-90.6000112.1F114 N115 L116 L121 Q122 L134F114-Y118 PolarHBondContact O-N 2.98Å; F114-Y118 VanDerWaalsContact O-N 3.13Å; N115-Y118 PolarHBondContact O-N 3.37Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; L116-Y118 PolarHBondContact O-N 2.78Å; Y118-L121 PolarHBondContact O-N 3.3Å; Y118-Q122 WeakPolarHBondContact O-CB 3.2Å; Y118-Q122 PolarHBondContact O-N 3.46Å; Y118-L134 HydrophobicContact CD2-CD2 4.14Å
119Q88.3Confident79.3Confident70 Ų7050.3 Ų50.333%0.32726%0.264SS..Hα-helixtrans-75.5-25.2-177-63.3-170.739.700113.4I47 N115 L116 I117 P123I47-Q119 HydrophobicContact CD1-CB 3.72Å; I47-Q119 HydrophobicContact CD1-CG 4.36Å; I47-Q119 HydrophobicContact CG1-CB 4.16Å; I47-Q119 HydrophobicContact CG2-CB 4.25Å; N115-Q119 VanDerWaalsContact CG-NE2 3.32Å; N115-Q119 PolarHBondContact ND2-NE2 3.16Å; N115-Q119 WeakPolarHBondContact O-CG 3.49Å; N115-Q119 PolarHBondContact O-N 3.43Å; N115-Q119 PolarHBondContact OD1-NE2 3.28Å; L116-Q119 PolarHBondContact O-N 3.2Å; I117-Q119 PolarHBondContact O-N 2.83Å; Q119-P123 WeakPolarHBondContact O-CD 3.4Å
120L87.9Confident77.9Confident4 Ų450.3 Ų50.32%0.02126%0.264CS..Hα-helixtrans-77.1-34.9172.1-74.5167.3000112.9I46 P50 L116 I117 P123 V260 L263 V264I46-L120 HydrophobicContact CG2-CD1 4.36Å; I46-L120 HydrophobicContact CG2-CD2 4.37Å; P50-L120 HydrophobicContact CG-CD2 4.21Å; L116-L120 HydrophobicContact CB-CD1 4.45Å; L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.43Å; L116-L120 WeakPolarHBondContact O-CD1 3.39Å; L116-L120 VanDerWaalsContact O-CG 3.23Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.29Å; I117-L120 PolarHBondContact O-N 2.86Å; L120-P123 WeakPolarHBondContact O-CD 3.36Å; L120-V260 HydrophobicContact CB-CG1 4.37Å; L120-V260 VanDerWaalsContact O-CG1 3.32Å; L120-V260 WeakPolarHBondContact O-CG1 3.36Å; L120-L263 HydrophobicContact CD1-CB 3.69Å; L120-L263 HydrophobicContact CD2-CB 4.44Å; L120-L263 HydrophobicContact CD2-CD1 4.08Å; L120-V264 HydrophobicContact CB-CG2 4.02Å; L120-V264 HydrophobicContact CD1-CG2 4.38Å
121L81.5Confident76.7Confident0 Ų055.6 Ų55.60%029%0.287CS..Hα-helixtrans-82.4-22.4177.8-68.3-178.1000113.3I117 Y118 I124 S125 W129 P130 I133 L134 V264I117-L121 HydrophobicContact CG2-CD1 3.66Å; I117-L121 HydrophobicContact CG2-CG 4.13Å; I117-L121 WeakPolarHBondContact O-CB 3.39Å; I117-L121 VanDerWaalsContact O-CG 3.32Å; I117-L121 WeakPolarHBondContact O-CG 3.29Å; I117-L121 PolarHBondContact O-N 2.97Å; Y118-L121 PolarHBondContact O-N 3.3Å; L121-I124 HydrophobicContact CD2-CD1 3.97Å; L121-I124 HydrophobicContact CD2-CG1 4.3Å; L121-I124 CarbonylContact O-C 3.56Å; L121-I124 PolarHBondContact O-N 3.36Å; L121-S125 WeakPolarHBondContact O-CA 3.18Å; L121-S125 WeakPolarHBondContact O-CB 3.45Å; L121-S125 PolarHBondContact O-N 2.88Å; L121-W129 HydrophobicContact CD2-CH2 3.91Å; L121-W129 HydrophobicContact CD2-CZ3 4.03Å; L121-P130 HydrophobicContact CB-CB 4.49Å; L121-P130 HydrophobicContact CD2-CB 4.11Å; L121-P130 HydrophobicContact CD2-CG 4.35Å; L121-I133 HydrophobicContact CD1-CB 4.28Å; L121-I133 HydrophobicContact CD1-CG2 3.8Å; L121-L134 HydrophobicContact CB-CD1 4.17Å; L121-L134 HydrophobicContact CB-CD2 4.2Å; L121-L134 HydrophobicContact CB-CG 4.3Å; L121-L134 HydrophobicContact CD1-CD2 4Å; L121-L134 HydrophobicContact CD1-CG 3.95Å; L121-V264 HydrophobicContact CD2-CG1 4.43Å; L121-V264 HydrophobicContact CD2-CG2 3.78Å; L121-V264 HydrophobicContact CG-CG2 4.01Å
122Q78.9Confident75.4Confident112 Ų11256.5 Ų56.552%0.52328%0.284SS..G310 helixtrans-55.1-45.4-179.2-179.6178.2-4.100113.8Y118 I124 S125Y118-Q122 WeakPolarHBondContact O-CB 3.2Å; Y118-Q122 PolarHBondContact O-N 3.46Å; Q122-I124 VanDerWaalsContact C-N 3.3Å; Q122-I124 PolarHBondContact O-N 3.45Å; Q122-S125 WeakPolarHBondContact O-CB 3.43Å; Q122-S125 PolarHBondContact O-N 3.01Å; Q122-S125 PolarHBondContact O-OG 2.83Å
123P76.3Confident73.7Confident107 Ų10755.5 Ų55.570%0.69528%0.278SS*.G310 helixtrans-66-26.8178.5-22.735.3000114.8Q119 L120Q119-P123 WeakPolarHBondContact O-CD 3.4Å; L120-P123 WeakPolarHBondContact O-CD 3.36Å
124I70.7Confident72.1Confident30 Ų3057.4 Ų57.415%0.15429%0.289CS..G310 helixtrans-105.813.3-179.263166000112.7L121 Q122 E126 L127 W129 P130 V260L121-I124 HydrophobicContact CD2-CD1 3.97Å; L121-I124 HydrophobicContact CD2-CG1 4.3Å; L121-I124 CarbonylContact O-C 3.56Å; L121-I124 PolarHBondContact O-N 3.36Å; Q122-I124 VanDerWaalsContact C-N 3.3Å; Q122-I124 PolarHBondContact O-N 3.45Å; I124-E126 PolarHBondContact O-N 3.03Å; I124-L127 HydrophobicContact CB-CD1 4.24Å; I124-L127 PolarHBondContact O-N 3.02Å; I124-L127 VanDerWaalsContact O-N 3.12Å; I124-W129 HydrophobicContact CD1-CH2 3.8Å; I124-W129 HydrophobicContact CD1-CZ2 3.57Å; I124-P130 HydrophobicContact CD1-CG 3.98Å; I124-P130 HydrophobicContact CG1-CG 4.06Å; I124-V260 HydrophobicContact CD1-CG1 3.67Å; I124-V260 HydrophobicContact CG1-CG1 4.32Å
125S66.7Low70.6Confident47 Ų4756.8 Ų56.833%0.32930%0.299SS..THydrogen-bonded Turntrans-67.6-6.8-169.9580000115L121 Q122 K131L121-S125 WeakPolarHBondContact O-CA 3.18Å; L121-S125 WeakPolarHBondContact O-CB 3.45Å; L121-S125 PolarHBondContact O-N 2.88Å; Q122-S125 WeakPolarHBondContact O-CB 3.43Å; Q122-S125 PolarHBondContact O-N 3.01Å; Q122-S125 PolarHBondContact O-OG 2.83Å; S125-K131 WeakPolarHBondContact O-CE 3.43Å; S125-K131 WeakPolarHBondContact O-CG 3.5Å
126E62.4Low68.8Low171 Ų17155 Ų5580%0.79929%0.289SS*.THydrogen-bonded Turntrans-75.7-26.3173.2-60.1-165.4161.900113I124 K131I124-E126 PolarHBondContact O-N 3.03Å; E126-K131 WeakPolarHBondContact O-CE 3.5Å; E126-K131 PolarHBondContact O-NZ 3.48Å
127L61.6Low66.8Low59 Ų5956.6 Ų56.631%0.30930%0.297SS..SBendtrans-63.5157.3178-64.8175.4000111.6I124 P130 K131 E257I124-L127 HydrophobicContact CB-CD1 4.24Å; I124-L127 PolarHBondContact O-N 3.02Å; I124-L127 VanDerWaalsContact O-N 3.12Å; L127-P130 HydrophobicContact CB-CG 4.01Å; L127-P130 WeakPolarHBondContact O-CD 3.43Å; L127-K131 WeakPolarHBondContact O-CD 3.21Å; L127-K131 WeakPolarHBondContact O-CG 3.41Å; L127-E257 WeakPolarHBondContact CD1-OE1 3.43Å
128P55.7Low65.1Low68 Ų6860.2 Ų60.244%0.44233%0.327SS..Hα-helixtrans-68.4-40-179.9-1931.8000113.1K131 V132 P746P128-K131 WeakPolarHBondContact O-CB 3.37Å; P128-K131 PolarHBondContact O-N 3.04Å; P128-V132 PolarHBondContact O-N 2.85Å; P128-P746 HydrophobicContact CB-CG 4.13Å; P128-P746 HydrophobicContact CG-CG 4.41Å
129W58.2Low63.3Low50 Ų5054.8 Ų54.819%0.18931%0.309CS..Hα-helixtrans-72.3-36.8-171.373.4-96.8000114.2L121 I124 K131 V132 I133 E257 I261L121-W129 HydrophobicContact CD2-CH2 3.91Å; L121-W129 HydrophobicContact CD2-CZ3 4.03Å; I124-W129 HydrophobicContact CD1-CH2 3.8Å; I124-W129 HydrophobicContact CD1-CZ2 3.57Å; W129-K131 VanDerWaalsContact C-N 3.32Å; W129-K131 PolarHBondContact O-N 3.08Å; W129-V132 PolarHBondContact O-N 3.07Å; W129-I133 HydrophobicContact CE3-CD1 3.5Å; W129-I133 HydrophobicContact CZ3-CD1 3.58Å; W129-I133 PolarHBondContact O-N 3.04Å; W129-E257 PolarHBondContact NE1-OE1 2.71Å; W129-I261 HydrophobicContact CH2-CD1 4.21Å; W129-I261 HydrophobicContact CH2-CG1 3.39Å; W129-I261 HydrophobicContact CZ2-CD1 3.67Å; W129-I261 HydrophobicContact CZ2-CG1 3.37Å; W129-I261 HydrophobicContact CZ3-CG1 4.43Å
130P61.3Low61.1Low0 Ų052.8 Ų52.80%030%0.301CS..Hα-helixtrans-65.2-32.6172.6-26.340.4000113L121 I124 L127 V132 I133 L134L121-P130 HydrophobicContact CB-CB 4.49Å; L121-P130 HydrophobicContact CD2-CB 4.11Å; L121-P130 HydrophobicContact CD2-CG 4.35Å; I124-P130 HydrophobicContact CD1-CG 3.98Å; I124-P130 HydrophobicContact CG1-CG 4.06Å; L127-P130 HydrophobicContact CB-CG 4.01Å; L127-P130 WeakPolarHBondContact O-CD 3.43Å; P130-V132 VanDerWaalsContact C-N 3.34Å; P130-V132 PolarHBondContact O-N 3.34Å; P130-I133 PolarHBondContact O-N 3.07Å; P130-L134 VanDerWaalsContact O-CB 3.31Å; P130-L134 WeakPolarHBondContact O-CB 3.14Å; P130-L134 VanDerWaalsContact O-CG 3.27Å; P130-L134 WeakPolarHBondContact O-CG 3.33Å; P130-L134 PolarHBondContact O-N 3.43Å
131K60.2Low58.6Low121 Ų12158 Ų5853%0.52633%0.33SS..Hα-helixtrans-63-39.5176.5-68.7166.3176.31590111.8S125 E126 L127 P128 W129 G135S125-K131 WeakPolarHBondContact O-CE 3.43Å; S125-K131 WeakPolarHBondContact O-CG 3.5Å; E126-K131 WeakPolarHBondContact O-CE 3.5Å; E126-K131 PolarHBondContact O-NZ 3.48Å; L127-K131 WeakPolarHBondContact O-CD 3.21Å; L127-K131 WeakPolarHBondContact O-CG 3.41Å; P128-K131 WeakPolarHBondContact O-CB 3.37Å; P128-K131 PolarHBondContact O-N 3.04Å; W129-K131 VanDerWaalsContact C-N 3.32Å; W129-K131 PolarHBondContact O-N 3.08Å; K131-G135 PolarHBondContact O-N 2.95Å
132V55.5Low56.1Low60 Ų6061.2 Ų61.236%0.36436%0.363SS..Hα-helixtrans-62.2-49.3173.7175.90000110.5P128 W129 P130 G135 I136P128-V132 PolarHBondContact O-N 2.85Å; W129-V132 PolarHBondContact O-N 3.07Å; P130-V132 VanDerWaalsContact C-N 3.34Å; P130-V132 PolarHBondContact O-N 3.34Å; V132-G135 PolarHBondContact O-N 3Å; V132-I136 HydrophobicContact CG1-CD1 3.88Å; V132-I136 WeakPolarHBondContact O-CB 3.46Å; V132-I136 VanDerWaalsContact O-CG1 3.32Å; V132-I136 WeakPolarHBondContact O-CG1 3.47Å; V132-I136 PolarHBondContact O-N 3.35Å
133I55Low53.8Low9 Ų959.5 Ų59.55%0.04636%0.356CS..Hα-helixtrans-65-48.9-178.6-66.4168.5000111.4L121 W129 P130 G135 I136 L137 V294L121-I133 HydrophobicContact CD1-CB 4.28Å; L121-I133 HydrophobicContact CD1-CG2 3.8Å; W129-I133 HydrophobicContact CE3-CD1 3.5Å; W129-I133 HydrophobicContact CZ3-CD1 3.58Å; W129-I133 PolarHBondContact O-N 3.04Å; P130-I133 PolarHBondContact O-N 3.07Å; I133-G135 VanDerWaalsContact C-N 3.33Å; I133-G135 PolarHBondContact O-N 2.99Å; I133-I136 PolarHBondContact O-N 3.01Å; I133-I136 VanDerWaalsContact O-N 3.14Å; I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.15Å; I133-L137 WeakPolarHBondContact O-CB 3.47Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.34Å; I133-L137 PolarHBondContact O-N 2.86Å; I133-V294 HydrophobicContact CD1-CG2 3.41Å; I133-V294 VanDerWaalsContact CD1-CG2 3.41Å
134L60.1Low51.8Low41 Ų4158.7 Ų58.722%0.21535%0.345CS..Hα-helixtrans-61.8-41178.1-70.7169000111.6Y118 L121 P130 I136 A138Y118-L134 HydrophobicContact CD2-CD2 4.14Å; L121-L134 HydrophobicContact CB-CD1 4.17Å; L121-L134 HydrophobicContact CB-CD2 4.2Å; L121-L134 HydrophobicContact CB-CG 4.3Å; L121-L134 HydrophobicContact CD1-CD2 4Å; L121-L134 HydrophobicContact CD1-CG 3.95Å; P130-L134 VanDerWaalsContact O-CB 3.31Å; P130-L134 WeakPolarHBondContact O-CB 3.14Å; P130-L134 VanDerWaalsContact O-CG 3.27Å; P130-L134 WeakPolarHBondContact O-CG 3.33Å; P130-L134 PolarHBondContact O-N 3.43Å; L134-I136 PolarHBondContact O-N 2.9Å; L134-A138 VanDerWaalsContact O-CB 3.25Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.36Å
135G52.4Low49.7Very low45 Ų4564 Ų6446%0.46437%0.374SS..Hα-helixtrans-64.5-26.4175.900000114K131 V132 I133 S139K131-G135 PolarHBondContact O-N 2.95Å; V132-G135 PolarHBondContact O-N 3Å; I133-G135 VanDerWaalsContact C-N 3.33Å; I133-G135 PolarHBondContact O-N 2.99Å; G135-S139 PolarHBondContact O-N 2.84Å
136I49.7Very low47.9Very low22 Ų2265.5 Ų65.511%0.11338%0.384CS..Hα-helixtrans-92.6-37.1178.6-67.3170.9000112V132 I133 L134 A138 S139 V140 W290V132-I136 HydrophobicContact CG1-CD1 3.88Å; V132-I136 WeakPolarHBondContact O-CB 3.46Å; V132-I136 VanDerWaalsContact O-CG1 3.32Å; V132-I136 WeakPolarHBondContact O-CG1 3.47Å; V132-I136 PolarHBondContact O-N 3.35Å; I133-I136 PolarHBondContact O-N 3.01Å; I133-I136 VanDerWaalsContact O-N 3.14Å; L134-I136 PolarHBondContact O-N 2.9Å; I136-A138 PolarHBondContact O-N 3.02Å; I136-S139 WeakPolarHBondContact CA-OG 3.49Å; I136-S139 CarbonylContact O-C 3.5Å; I136-S139 PolarHBondContact O-N 3.36Å; I136-S139 PolarHBondContact O-OG 3.41Å; I136-S139 VanDerWaalsContact O-OG 3.11Å; I136-V140 HydrophobicContact CG2-CG2 4.27Å; I136-V140 WeakPolarHBondContact O-CG2 3.3Å; I136-V140 PolarHBondContact O-N 3.42Å; I136-W290 HydrophobicContact CB-CZ2 4.39Å; I136-W290 HydrophobicContact CD1-CH2 3.29Å; I136-W290 HydrophobicContact CD1-CZ2 3.6Å; I136-W290 HydrophobicContact CD1-CZ3 4.2Å; I136-W290 HydrophobicContact CG1-CH2 4.5Å; I136-W290 HydrophobicContact CG2-CH2 4.34Å; I136-W290 HydrophobicContact CG2-CZ2 3.67Å
137L49.9Very low46.4Very low35 Ų3566.1 Ų66.118%0.18339%0.387CS..Hα-helixtrans-57.3-37.8167.4-68.1168.7000110.7F114 I117 I133 S139F114-L137 HydrophobicContact CD1-CD2 4.25Å; F114-L137 HydrophobicContact CE1-CD2 3.87Å; I117-L137 HydrophobicContact CG2-CD1 3.6Å; I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.15Å; I133-L137 WeakPolarHBondContact O-CB 3.47Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.34Å; I133-L137 PolarHBondContact O-N 2.86Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.03Å
138A50.8Low44.9Very low75 Ų7569.6 Ų69.662%0.6241%0.406SS*.Hα-helixtrans-76.5-2.3172.700000115.1L134 I136L134-A138 VanDerWaalsContact O-CB 3.25Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.36Å; I136-A138 PolarHBondContact O-N 3.02Å
139S45.9Very low43.6Very low24 Ų2473.4 Ų73.417%0.16842%0.423CS..Hα-helixtrans-113.3-20.8175.2800000113.8G135 I136 L137 D141 G142 I143G135-S139 PolarHBondContact O-N 2.84Å; I136-S139 WeakPolarHBondContact CA-OG 3.49Å; I136-S139 CarbonylContact O-C 3.5Å; I136-S139 PolarHBondContact O-N 3.36Å; I136-S139 PolarHBondContact O-OG 3.41Å; I136-S139 VanDerWaalsContact O-OG 3.11Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.03Å; S139-D141 VanDerWaalsContact C-N 3.31Å; S139-D141 PolarHBondContact O-N 3.29Å; S139-G142 WeakPolarHBondContact O-CA 3.45Å; S139-G142 PolarHBondContact O-N 2.71Å; S139-I143 PolarHBondContact O-N 3.09Å
140V43Very low42.2Very low28 Ų2878.5 Ų78.517%0.1745%0.446CS..Hα-helixtrans-58.8-37.2177.9161.80000112.5I136 G142 I143 L144I136-V140 HydrophobicContact CG2-CG2 4.27Å; I136-V140 WeakPolarHBondContact O-CG2 3.3Å; I136-V140 PolarHBondContact O-N 3.42Å; V140-G142 PolarHBondContact O-N 2.78Å; V140-I143 WeakPolarHBondContact O-CA 3.34Å; V140-I143 PolarHBondContact O-N 3.28Å; V140-L144 HydrophobicContact CG1-CD1 3.85Å; V140-L144 HydrophobicContact CG1-CG 4.19Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 2.9Å
141D34.4Very low40.7Very low115 Ų11584.6 Ų84.662%0.61547%0.473SS*.Hα-helixtrans-58.9-30.8172.9-77.5-21.5000112.5S139S139-D141 VanDerWaalsContact C-N 3.31Å; S139-D141 PolarHBondContact O-N 3.29Å
142G28.5Very low39.1Very low67 Ų6783 Ų8369%0.69149%0.491SS*.Hα-helixtrans-83.6-8.3173.400000115S139 V140S139-G142 WeakPolarHBondContact O-CA 3.45Å; S139-G142 PolarHBondContact O-N 2.71Å; V140-G142 PolarHBondContact O-N 2.78Å
143I31.9Very low37.7Very low76 Ų7685.4 Ų85.439%0.3950%0.497SS..Hα-helixtrans-94.9-28.4175.1-65.3170.9000110.5S139 V140S139-I143 PolarHBondContact O-N 3.09Å; V140-I143 WeakPolarHBondContact O-CA 3.34Å; V140-I143 PolarHBondContact O-N 3.28Å
144L34.3Very low36.4Very low89 Ų8990.8 Ų90.847%0.46652%0.521SS..Hα-helixtrans-70.8-26.6-177.9-74166.8000114.5V140 S146 V283V140-L144 HydrophobicContact CG1-CD1 3.85Å; V140-L144 HydrophobicContact CG1-CG 4.19Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 2.9Å; L144-S146 VanDerWaalsContact C-N 3.35Å; L144-S146 PolarHBondContact O-N 3.47Å; L144-V283 HydrophobicContact CD2-CG2 4.17Å
145D27Very low35Very low142 Ų14293.1 Ų93.176%0.75954%0.537SS*.THydrogen-bonded Turntrans-85.57.3-176.3-87.3-5.6000115E147D145-E147 PolarHBondContact O-N 3.01Å
146S29.2Very low34Very low78 Ų7892.8 Ų92.855%0.54553%0.527SS..  trans-86.962.8-171.6-157.70000114.9L144 N148L144-S146 VanDerWaalsContact C-N 3.35Å; L144-S146 PolarHBondContact O-N 3.47Å; S146-N148 PolarHBondContact O-N 3.25Å; S146-N148 VanDerWaalsContact O-N 3.12Å
147E30.8Very low33Very low184 Ų18496 Ų9686%0.8655%0.545SS*.THydrogen-bonded Turntrans-68.80.7172.2-67.5-162.7137.600114.2D145 N149D145-E147 PolarHBondContact O-N 3.01Å; E147-N149 PolarHBondContact O-N 3.17Å
148N28.5Very low32.1Very low132 Ų13299.1 Ų99.171%0.70656%0.555SS**THydrogen-bonded Turntrans-83.4-1.8-164.1-84.5-50.1000116.8S146 K150S146-N148 PolarHBondContact O-N 3.25Å; S146-N148 VanDerWaalsContact O-N 3.12Å; N148-K150 VanDerWaalsContact C-N 3.26Å; N148-K150 PolarHBondContact O-N 3.2Å
149N29.5Very low31.1Very low149 Ų14998 Ų9880%0.79754%0.538SS*.  trans-80.168.5177-82.8-34.5000112.5E147 K151E147-N149 PolarHBondContact O-N 3.17Å; N149-K151 PolarHBondContact O-N 2.78Å
150K29.1Very low30.7Very low156 Ų15699.3 Ų99.368%0.67854%0.543SS*.  trans-71.556.4176.5-68.9-174.6175.51790114N148N148-K150 VanDerWaalsContact C-N 3.26Å; N148-K150 PolarHBondContact O-N 3.2Å
151K29.6Very low30.6Very low129 Ų129100 Ų10056%0.56155%0.546SS*.SBendtrans-136.8115.5163.8-74.8-172.5177.2174.20109.1N149 K153N149-K151 PolarHBondContact O-N 2.78Å; K151-K153 VanDerWaalsContact C-N 3.3Å; K151-K153 PolarHBondContact O-N 2.96Å
152G26.2Very low30.8Very low88 Ų8895.9 Ų95.991%0.90752%0.524SS*.  trans-72.171.5-169.700000114.7
153K26.7Very low31.1Very low109 Ų10997.2 Ų97.247%0.47452%0.515SS..  trans-106.2125.7159-84.2-170.1158.9-168.40109.6K151 V155 Y158 T552K151-K153 VanDerWaalsContact C-N 3.3Å; K151-K153 PolarHBondContact O-N 2.96Å; K153-V155 PolarHBondContact O-N 3.42Å; K153-V155 VanDerWaalsContact O-N 3.09Å; K153-Y158 HydrophobicContact CD-CE2 4.19Å; K153-Y158 PolarHBondContact NZ-OH 3.48Å; K153-Y158 VanDerWaalsContact NZ-OH 3.14Å; K153-T552 WeakPolarHBondContact CE-O 3.47Å; K153-T552 PolarHBondContact NZ-O 3.32Å
154H28.1Very low31.2Very low123 Ų12397.1 Ų97.157%0.56953%0.525SS*.  trans-63.7111.6178.1-83-81.4000110.5S156 D157 R316H154-S156 PolarHBondContact O-N 2.92Å; H154-D157 VanDerWaalsContact CB-OD2 3.24Å; H154-D157 WeakPolarHBondContact CB-OD2 3.41Å; H154-D157 PolarHBondContact O-N 2.89Å; H154-R316 VanDerWaalsContact CB-NH2 3.27Å; H154-R316 PolarHBondContact CD2-NH2 3.31Å; H154-R316 VanDerWaalsContact CD2-NH2 3.3Å
155V30.3Very low31.3Very low89 Ų8993.7 Ų93.754%0.53951%0.508SS..G310 helixtrans-55.5-24.2172.9-175.70000111.8K153 D157 Y158 N282K153-V155 PolarHBondContact O-N 3.42Å; K153-V155 VanDerWaalsContact O-N 3.09Å; V155-D157 VanDerWaalsContact C-N 3.27Å; V155-D157 PolarHBondContact O-N 3.38Å; V155-Y158 CarbonylContact O-C 3.44Å; V155-Y158 PolarHBondContact O-N 3.26Å; V155-N282 WeakPolarHBondContact CG1-ND2 3.39Å
156S30.5Very low31.5Very low38 Ų3889.8 Ų89.827%0.26648%0.484SS..G310 helixtrans-64.5-21.3174.8-173.50000114.9H154 Y158 R316H154-S156 PolarHBondContact O-N 2.92Å; S156-Y158 VanDerWaalsContact C-N 3.32Å; S156-R316 WeakPolarHBondContact OG-CD 3.26Å
157D29.4Very low31.6Very low90 Ų9089.6 Ų89.648%0.48148%0.483SS..G310 helixtrans-83.4-11.6172-66-63.5000112.2H154 V155 R316H154-D157 VanDerWaalsContact CB-OD2 3.24Å; H154-D157 WeakPolarHBondContact CB-OD2 3.41Å; H154-D157 PolarHBondContact O-N 2.89Å; V155-D157 VanDerWaalsContact C-N 3.27Å; V155-D157 PolarHBondContact O-N 3.38Å; D157-R316 WeakPolarHBondContact OD1-CD 3.44Å; D157-R316 WeakPolarHBondContact OD1-CG 3.4Å; D157-R316 IonicContact OD1-CZ 2.71Å; D157-R316 IonicContact OD1-NE 2.73Å; D157-R316 PolarHBondContact OD1-NE 2.99Å; D157-R316 IonicContact OD1-NH2 3.48Å; D157-R316 IonicContact OD2-CZ 3.3Å; D157-R316 VanDerWaalsContact OD2-CZ 3.29Å; D157-R316 IonicContact OD2-NE 3.38Å; D157-R316 PolarHBondContact OD2-NE 2.78Å; D157-R316 VanDerWaalsContact OD2-NE 3.15Å; D157-R316 IonicContact OD2-NH2 3.19Å; D157-R316 PolarHBondContact OD2-NH2 3.09Å
158Y29.7Very low31.8Very low101 Ų10182.3 Ų82.340%0.39646%0.455SS..  trans-117.541.4-173.3-74.7-85.8000112.2K153 V155 S156 D160 L163K153-Y158 HydrophobicContact CD-CE2 4.19Å; K153-Y158 PolarHBondContact NZ-OH 3.48Å; K153-Y158 VanDerWaalsContact NZ-OH 3.14Å; V155-Y158 CarbonylContact O-C 3.44Å; V155-Y158 PolarHBondContact O-N 3.26Å; S156-Y158 VanDerWaalsContact C-N 3.32Å; Y158-D160 PolarHBondContact O-N 3.22Å; Y158-L163 HydrophobicContact CD1-CD2 4.33Å; Y158-L163 HydrophobicContact CG-CD2 4.29Å
159L30.8Very low31.9Very low51 Ų5177.3 Ų77.327%0.26743%0.428SS..  trans-79.541.9165.8-150.2109.1000111.5
160D38.1Very low32.1Very low51 Ų5177.8 Ų77.827%0.27342%0.423SS..  trans-73.4142.4161.7-146.8-1.1000107.3Y158 D162 N432 N434Y158-D160 PolarHBondContact O-N 3.22Å; D160-D162 PolarHBondContact O-N 3.32Å; D160-N432 PolarHBondContact OD2-ND2 2.98Å; D160-N434 PolarHBondContact OD1-ND2 3.1Å
161L40.9Very low32.3Very low43 Ų4372.8 Ų72.823%0.22541%0.41CS..THydrogen-bonded Turntrans-64.5-12.3-167.9-154.567.9000112.8T165 L289 V722L161-T165 VanDerWaalsContact O-CB 3.31Å; L161-T165 WeakPolarHBondContact O-CB 3.42Å; L161-T165 PolarHBondContact O-OG1 3.24Å; L161-L289 HydrophobicContact CD1-CD2 4.17Å; L161-V722 HydrophobicContact CD2-CG1 4.33Å
162D37.7Very low32.4Very low28 Ų2868 Ų6815%0.1539%0.393CS..THydrogen-bonded Turntrans-91.7-40.8-171.4-72.7-46.6000114.9D160 A164 T165 F166 N434 F753D160-D162 PolarHBondContact O-N 3.32Å; D162-A164 PolarHBondContact O-N 3Å; D162-T165 CarbonylContact O-C 3.53Å; D162-T165 WeakPolarHBondContact O-CB 3.22Å; D162-T165 PolarHBondContact O-N 3.46Å; D162-T165 VanDerWaalsContact O-N 3.13Å; D162-F166 HydrophobicContact CB-CD2 3.69Å; D162-F166 HydrophobicContact CB-CE2 3.63Å; D162-F166 WeakPolarHBondContact O-CB 3.39Å; D162-F166 WeakPolarHBondContact O-CD2 3.01Å; D162-F166 PolarHBondContact O-N 3.27Å; D162-N434 PolarHBondContact OD2-ND2 3.16Å; D162-F753 WeakPolarHBondContact OD1-CD2 3.36Å; D162-F753 WeakPolarHBondContact OD1-CE2 3.23Å
163L35.1Very low32.7Very low96 Ų9667.8 Ų67.850%0.50338%0.378SS..Hα-helixtrans-71.3-38.3-166.1-172.360.5000113.7Y158 T165 S167Y158-L163 HydrophobicContact CD1-CD2 4.33Å; Y158-L163 HydrophobicContact CG-CD2 4.29Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-S167 WeakPolarHBondContact O-CB 3.41Å; L163-S167 PolarHBondContact O-N 2.94Å; L163-S167 PolarHBondContact O-OG 3.31Å
164A33.6Very low33.1Very low73 Ų7370.9 Ų70.960%0.60339%0.391SS*.Hα-helixtrans-68.2-33.2171.800000111.8D162 S167 A168D162-A164 PolarHBondContact O-N 3Å; A164-S167 WeakPolarHBondContact CA-OG 3.31Å; A164-S167 PolarHBondContact O-OG 3.5Å; A164-S167 VanDerWaalsContact O-OG 3.04Å; A164-A168 PolarHBondContact O-N 2.89Å
165T36.9Very low33.6Very low17 Ų1775.1 Ų75.110%0.10440%0.402CS..Hα-helixtrans-74-47.9-178.6-61.50000111.8L161 D162 L163 S167 A168 N169 F750L161-T165 VanDerWaalsContact O-CB 3.31Å; L161-T165 WeakPolarHBondContact O-CB 3.42Å; L161-T165 PolarHBondContact O-OG1 3.24Å; D162-T165 CarbonylContact O-C 3.53Å; D162-T165 WeakPolarHBondContact O-CB 3.22Å; D162-T165 PolarHBondContact O-N 3.46Å; D162-T165 VanDerWaalsContact O-N 3.13Å; L163-T165 VanDerWaalsContact C-N 3.3Å; T165-S167 VanDerWaalsContact C-N 3.34Å; T165-S167 PolarHBondContact O-N 3.41Å; T165-A168 PolarHBondContact O-N 3.14Å; T165-N169 WeakPolarHBondContact O-CB 3.19Å; T165-N169 PolarHBondContact O-N 3.29Å; T165-F750 HydrophobicContact CG2-CB 3.49Å; T165-F750 VanDerWaalsContact CG2-CB 3.49Å; T165-F750 HydrophobicContact CG2-CD1 3.38Å; T165-F750 HydrophobicContact CG2-CE1 4.32Å; T165-F750 HydrophobicContact CG2-CG 3.61Å
166F31.5Very low33.7Very low60 Ų6078.4 Ų78.426%0.26341%0.414SS..Hα-helixtrans-64-35.1174.8-79.9-56.7000112.8D162 N169 K170 D752D162-F166 HydrophobicContact CB-CD2 3.69Å; D162-F166 HydrophobicContact CB-CE2 3.63Å; D162-F166 WeakPolarHBondContact O-CB 3.39Å; D162-F166 WeakPolarHBondContact O-CD2 3.01Å; D162-F166 PolarHBondContact O-N 3.27Å; F166-N169 PolarHBondContact O-N 3.43Å; F166-K170 WeakPolarHBondContact O-CB 3.48Å; F166-K170 PolarHBondContact O-N 3.29Å; F166-D752 HydrophobicContact CE1-CB 4.28Å; F166-D752 WeakPolarHBondContact CE1-OD1 3.48Å
167S31.7Very low33.7Very low74 Ų7485 Ų8552%0.51744%0.437SS..Hα-helixtrans-68.9-36.3175.845.80000112.5L163 A164 T165L163-S167 WeakPolarHBondContact O-CB 3.41Å; L163-S167 PolarHBondContact O-N 2.94Å; L163-S167 PolarHBondContact O-OG 3.31Å; A164-S167 WeakPolarHBondContact CA-OG 3.31Å; A164-S167 PolarHBondContact O-OG 3.5Å; A164-S167 VanDerWaalsContact O-OG 3.04Å; T165-S167 VanDerWaalsContact C-N 3.34Å; T165-S167 PolarHBondContact O-N 3.41Å
168A33.3Very low33.8Very low32 Ų3288.5 Ų88.526%0.26445%0.451SS..Hα-helixtrans-65.7-50.1168.500000112.1A164 T165 K170 A171 S172A164-A168 PolarHBondContact O-N 2.89Å; T165-A168 PolarHBondContact O-N 3.14Å; A168-K170 VanDerWaalsContact C-N 3.32Å; A168-K170 PolarHBondContact O-N 3.34Å; A168-A171 WeakPolarHBondContact O-CB 3.17Å; A168-A171 PolarHBondContact O-N 3.23Å; A168-A171 VanDerWaalsContact O-N 3.15Å; A168-S172 PolarHBondContact O-N 2.85Å
169N31.1Very low33.8Very low26 Ų2691.4 Ų91.414%0.13947%0.473CS..Hα-helixtrans-58-40.2-179.5-78.4-12.8000113.2T165 F166 A171 S172 S173 H748 F750T165-N169 WeakPolarHBondContact O-CB 3.19Å; T165-N169 PolarHBondContact O-N 3.29Å; F166-N169 PolarHBondContact O-N 3.43Å; N169-A171 PolarHBondContact O-N 2.86Å; N169-S172 PolarHBondContact O-N 2.91Å; N169-S173 WeakPolarHBondContact O-CB 3.42Å; N169-S173 PolarHBondContact O-N 2.92Å; N169-H748 PolarHBondContact OD1-CE1 2.93Å; N169-H748 VanDerWaalsContact OD1-CE1 3.27Å; N169-F750 PolarHBondContact ND2-O 3.14Å; N169-F750 PolarHBondContact OD1-O 2.88Å
170K33.7Very low33.8Very low160 Ų16098.4 Ų98.470%0.69650%0.504SS*.Hα-helixtrans-68.6-19.8-178.5-166.8167.2-171.2166.30113.4F166 A168F166-K170 WeakPolarHBondContact O-CB 3.48Å; F166-K170 PolarHBondContact O-N 3.29Å; A168-K170 VanDerWaalsContact C-N 3.32Å; A168-K170 PolarHBondContact O-N 3.34Å
171A33.2Very low33.4Very low51 Ų51101.1 Ų101.142%0.42153%0.525SS..Hα-helixtrans-79.2-49.7168.700000111.4A168 N169 K174A168-A171 WeakPolarHBondContact O-CB 3.17Å; A168-A171 PolarHBondContact O-N 3.23Å; A168-A171 VanDerWaalsContact O-N 3.15Å; N169-A171 PolarHBondContact O-N 2.86Å; A171-K174 PolarHBondContact O-N 3.5Å
172S32Very low32.9Very low29 Ų29106.1 Ų106.120%0.20355%0.552CS.*Hα-helixtrans-65-42.6-176.9-58.80000113.6A168 N169 K174 R175 M176A168-S172 PolarHBondContact O-N 2.85Å; N169-S172 PolarHBondContact O-N 2.91Å; S172-K174 PolarHBondContact O-N 3.39Å; S172-K174 VanDerWaalsContact O-N 3.1Å; S172-R175 PolarHBondContact O-N 3.32Å; S172-M176 PolarHBondContact O-N 3.22Å
173S32.8Very low32.4Very low82 Ų82113.2 Ų113.257%0.57358%0.581SS**THydrogen-bonded Turntrans-58.2-26.5-179.2-177.90000113.5N169N169-S173 WeakPolarHBondContact O-CB 3.42Å; N169-S173 PolarHBondContact O-N 2.92Å
174K34.7Very low32Very low175 Ų175118.1 Ų118.176%0.76160%0.599SS**THydrogen-bonded Turntrans-75.5-17174.8-72.1-171.8175.3-1740114.7A171 S172A171-K174 PolarHBondContact O-N 3.5Å; S172-K174 PolarHBondContact O-N 3.39Å; S172-K174 VanDerWaalsContact O-N 3.1Å
175R37.9Very low31.6Very low211 Ų211120.3 Ų120.380%0.79660%0.6SS**THydrogen-bonded Turntrans-99.2-23.5-178.8-80.3-173.3170.6-178.4-1114.4S172 K177S172-R175 PolarHBondContact O-N 3.32Å; R175-K177 PolarHBondContact O-N 3.03Å
176M32.4Very low31.2Very low159 Ų159125.3 Ų125.378%0.78364%0.635SS**  trans-89.38.7-172-75.9173.462.400115.9S172 H178S172-M176 PolarHBondContact O-N 3.22Å; M176-H178 PolarHBondContact O-N 3.38Å; M176-H178 VanDerWaalsContact O-N 3.12Å
177K31.8Very low30.9Very low176 Ų176127.8 Ų127.877%0.76566%0.656SS**SBendtrans-74.87.7-178.9-77.9-161.7170.7-166.60115.9R175R175-K177 PolarHBondContact O-N 3.03Å
178H30.4Very low30.8Very low164 Ų164131 Ų13176%0.75967%0.672SS**SBendtrans-141.3112.3171.8-69.1-75.5000110.9M176M176-H178 PolarHBondContact O-N 3.38Å; M176-H178 VanDerWaalsContact O-N 3.12Å
179N31Very low30.4Very low162 Ų162137.6 Ų137.687%0.86670%0.698SS**  trans161137.9137-80.1-11.6000110.2
180E29.3Very low30.1Very low197 Ų197145 Ų14592%0.92173%0.731SS**  trans-84.8146.3179.9-60173.3124.800112.1
181P29.9Very low29.8Very low108 Ų108141.7 Ų141.770%0.70173%0.728SS**  trans-101.2135.4166.835.5-28.5000111.8
182N30.2Very low29.4Very low148 Ų148147.6 Ų147.679%0.79175%0.753SS**  trans-163.2135166.6-129.2-52.9000114.2
183K28Very low29.2Very low177 Ų177150.5 Ų150.577%0.7777%0.769SS**  trans64.5141.9175.9-51.3179-179.6176.80114.7
184F27.3Very low29.1Very low199 Ų199155.4 Ų155.487%0.87378%0.783SS**  cis-139.5169.233-110.9-89.5000114.2
185L24.5Very low28.7Very low120 Ų120151.8 Ų151.863%0.62878%0.775SS**  trans-113.4147.2-177.9-14786.7000111.6
186S28.5Very low28.2Very low121 Ų121148.1 Ų148.185%0.84677%0.77SS**  trans-161.1154.9146.553.70000111.3
187T24.3Very low28Very low113 Ų113141.8 Ų141.869%0.69374%0.743SS**  trans-114.8145.7-154.1-43.30000113.5
188T29.8Very low27.7Very low140 Ų140135 Ų13586%0.85972%0.717SS**  trans-146149.4151.3-36.10000109.5
189Q24.6Very low27.6Very low172 Ų172136.7 Ų136.780%0.80472%0.716SS**  trans-95.1153.8176.7-60.5166.4-103.800109.7
190E26.4Very low27.6Very low181 Ų181129.9 Ų129.985%0.84668%0.68SS**  171.2153112.4-92.8178168.700115.3
191S27.1Very low27.6Very low91 Ų91122.6 Ų122.664%0.63665%0.647SS**  trans16.3129.9161.559.60000122.8T193S191-T193 PolarHBondContact O-N 3.12Å; S191-T193 VanDerWaalsContact O-N 3.15Å
192D25Very low27.8Very low174 Ų174117.8 Ų117.893%0.9362%0.616SS**  trans-54.4111.6159.6-66.6-68.5000112.6
193T28.1Very low27.9Very low90 Ų90113 Ų11355%0.55259%0.587SS**  trans-139.3142.9164.5450000109.9S191 V195S191-T193 PolarHBondContact O-N 3.12Å; S191-T193 VanDerWaalsContact O-N 3.15Å; T193-V195 PolarHBondContact O-N 3.19Å
194H30Very low28.2Very low185 Ų185108 Ų10886%0.85659%0.585SS**  trans-72.290.2-177.3-82.5-82.6000111.5I196H194-I196 PolarHBondContact O-N 3.15Å
195V26.4Very low28.6Very low99 Ų99102 Ų10260%0.656%0.562SS**  trans-64.1104.5176.6-175.50000110.5T193 A197T193-V195 PolarHBondContact O-N 3.19Å; V195-A197 PolarHBondContact O-N 2.93Å
196I27Very low28.8Very low135 Ų135107.4 Ų107.469%0.69257%0.574SS**  trans-79.790.8174.4-56.7-179.7000108.7H194H194-I196 PolarHBondContact O-N 3.15Å
197A28.5Very low28.8Very low26 Ų26106.3 Ų106.322%0.21556%0.558CS.*  trans-55.8153.7171.600000112V195 R199 L333 H334V195-A197 PolarHBondContact O-N 2.93Å; A197-R199 PolarHBondContact O-N 3.39Å; A197-L333 HydrophobicContact CB-CD2 4.49Å; A197-H334 WeakPolarHBondContact CB-NE2 3.43Å; A197-H334 PolarHBondContact O-CE1 2.95Å
198P26.1Very low29.1Very low32 Ų32105 Ų10521%0.20855%0.552CS.*  trans-64.5121.8-166.922.4-31.3000112.2I200 L254 H334P198-I200 PolarHBondContact O-N 3.26Å; P198-L254 HydrophobicContact CB-CD1 4.17Å; P198-L254 HydrophobicContact CB-CD2 3.8Å; P198-L254 HydrophobicContact CG-CD2 3.76Å; P198-H334 PolarHBondContact O-CD2 3.41Å; P198-H334 PolarHBondContact O-NE2 3.36Å
199R27.1Very low29.1Very low200 Ų200104 Ų10476%0.75555%0.55SS**  trans-58.996.4177-172.5176.4-171.9156.62110.7A197 L201A197-R199 PolarHBondContact O-N 3.39Å; R199-L201 PolarHBondContact O-N 2.92Å
200I31.8Very low29.4Very low20 Ų20104.3 Ų104.310%0.10355%0.552CS.*  trans-63.898.6174.7-55.5177.2000108.2P198 Y262 H334P198-I200 PolarHBondContact O-N 3.26Å; I200-Y262 HydrophobicContact CB-CE2 4.47Å; I200-Y262 HydrophobicContact CD1-CD2 3.78Å; I200-Y262 HydrophobicContact CD1-CE2 3.89Å; I200-Y262 HydrophobicContact CG1-CD2 3.93Å; I200-Y262 HydrophobicContact CG1-CE2 3.77Å; I200-Y262 HydrophobicContact CG2-CE2 4.04Å; I200-H334 HydrophobicContact CB-CB 4.22Å; I200-H334 HydrophobicContact CD1-CB 4.45Å; I200-H334 HydrophobicContact CG1-CB 4.29Å
201L29.4Very low29.6Very low44 Ų44101.4 Ų101.423%0.2354%0.541CS..  trans-61.4137.7178.1-67.4162.7000110R199 D205 L207R199-L201 PolarHBondContact O-N 2.92Å; L201-D205 HydrophobicContact CB-CB 4.18Å; L201-D205 HydrophobicContact CD2-CB 3.72Å; L201-D205 HydrophobicContact CG-CB 4.48Å; L201-L207 HydrophobicContact CD1-CD1 4.22Å; L201-L207 HydrophobicContact CD1-CG 4.49Å
202S33Very low29.6Very low7 Ų7104.5 Ų104.55%0.04955%0.549CS..  trans-63.1161.1166.9-83.40000109.4G204 D205 F336 P337S202-G204 PolarHBondContact O-N 3.1Å; S202-D205 WeakPolarHBondContact CB-OD2 3.48Å; S202-D205 PolarHBondContact N-OD2 3.28Å; S202-D205 PolarHBondContact O-N 3.45Å; S202-F336 VanDerWaalsContact OG-CD2 3.23Å; S202-F336 WeakPolarHBondContact OG-CD2 3.3Å; S202-F336 WeakPolarHBondContact OG-CE2 3.35Å; S202-F336 WeakPolarHBondContact OG-CG 3.26Å; S202-P337 WeakPolarHBondContact OG-CD 3.43Å
203R33Very low29.7Very low48 Ų48100.1 Ų100.118%0.18153%0.529CS..THydrogen-bonded Turntrans-70.164.8-169-69.7-179.6174.4161.4-0.3113.2H270 D273R203-H270 PolarHBondContact NH2-CE1 3.03Å; R203-H270 PolarHBondContact NH2-NE2 3.5Å; R203-D273 IonicContact CZ-OD2 3.19Å; R203-D273 IonicContact NH1-OD2 2.8Å; R203-D273 PolarHBondContact NH1-OD2 2.79Å; R203-D273 IonicContact NH2-OD2 3.01Å; R203-D273 PolarHBondContact NH2-OD2 3.02Å
204G34.1Very low29.5Very low70 Ų70102.3 Ų102.372%0.72254%0.542SS*.THydrogen-bonded Turntrans167.9-19.6-179.900000114.9S202S202-G204 PolarHBondContact O-N 3.1Å
205D35Very low29.4Very low74 Ų7498.5 Ų98.540%0.39654%0.536SS..PPolyproline II helixtrans-71.3133.2-170-62.7-36.6000113.5L201 S202L201-D205 HydrophobicContact CB-CB 4.18Å; L201-D205 HydrophobicContact CD2-CB 3.72Å; L201-D205 HydrophobicContact CG-CB 4.48Å; S202-D205 WeakPolarHBondContact CB-OD2 3.48Å; S202-D205 PolarHBondContact N-OD2 3.28Å; S202-D205 PolarHBondContact O-N 3.45Å
206R28.8Very low29.5Very low233 Ų23399.3 Ų99.388%0.87955%0.546SS*.PPolyproline II helixtrans-83.3149.6164-67.1-175.7175.8-168.4-1.4109.5
207L30.3Very low29.5Very low98 Ų9899 Ų9951%0.51356%0.556SS.*PPolyproline II helixtrans-65149.6163.1-79.2112.5000109.8L201 I211L201-L207 HydrophobicContact CD1-CD1 4.22Å; L201-L207 HydrophobicContact CD1-CG 4.49Å; L207-I211 HydrophobicContact CD2-CD1 4.44Å
208P28.8Very low29.5Very low86 Ų86103.5 Ų103.556%0.55858%0.581SS**PPolyproline II helixtrans-54.2137.5163.3-22.733.9000110.4E210P208-E210 PolarHBondContact O-N 3.09Å
209S30.2Very low29.6Very low119 Ų119109.5 Ų109.583%0.83261%0.606SS**THydrogen-bonded Turntrans-71.912.4-168.7-51.40000115.5
210E31.8Very low29.8Very low179 Ų179106 Ų10684%0.83660%0.602SS**THydrogen-bonded Turntrans-105.2-7.1-164.5-64175.6157.300113.4P208 L212P208-E210 PolarHBondContact O-N 3.09Å; E210-L212 PolarHBondContact O-N 2.95Å
211I29.3Very low29.6Very low120 Ų120109.6 Ų109.662%0.61563%0.629SS**  trans-91.373.8173.5-49.8-179000109.3L207L207-I211 HydrophobicContact CD2-CD1 4.44Å
212L26.9Very low29.5Very low155 Ų155118.1 Ų118.181%0.81266%0.658SS**  trans-10173.9178.6-127.4174.6000110.3E210 V214E210-L212 PolarHBondContact O-N 2.95Å; L212-V214 PolarHBondContact O-N 3.41Å
213T28.6Very low29.4Very low83 Ų83125.4 Ų125.451%0.50970%0.695SS.*  trans-72.9111.5-174.1-16.30000112.2S215 F251T213-S215 PolarHBondContact O-N 2.69Å; T213-F251 HydrophobicContact CG2-CD1 4.29Å; T213-F251 HydrophobicContact CG2-CE1 3.46Å; T213-F251 VanDerWaalsContact CG2-CE1 3.46Å; T213-F251 HydrophobicContact CG2-CE2 4.37Å; T213-F251 HydrophobicContact CG2-CZ 3.52Å
214V24.1Very low29.2Very low135 Ų135127.4 Ų127.482%0.81872%0.716SS**  trans-60.4128.7172.8175.20000110.8L212L212-V214 PolarHBondContact O-N 3.41Å
215S27.5Very low29Very low105 Ų105129.7 Ų129.773%0.73471%0.712SS**  trans-157140.2158.7-85.60000112.8T213T213-S215 PolarHBondContact O-N 2.69Å
216S28.2Very low29Very low116 Ų116134 Ų13481%0.81173%0.73SS**  trans45.781.5168.7600000118.2
217S26.5Very low29.1Very low129 Ų129129.3 Ų129.390%0.90273%0.727SS**  trans-113.495.114255.20000108.8
218V29.1Very low29.2Very low120 Ų120131.4 Ų131.473%0.72774%0.743SS**  trans-115.5147.9177.1172.60000108.3
219E28.9Very low29.3Very low159 Ų159135.5 Ų135.574%0.74375%0.752SS**  trans83.4138.8168.1-97.9178.1-126.400120.8
220N30.9Very low29.5Very low126 Ų126140 Ų14067%0.67475%0.753SS**  trans8050151-54.5-30.7000121.4
221S27.2Very low29.7Very low95 Ų95136.4 Ų136.466%0.66474%0.744SS**  66130.6107.975.60000123.2
222R27.5Very low29.7Very low223 Ų223137.7 Ų137.784%0.84275%0.753SS**  trans82.9132.3138.2-76.7174-176-170.53.2121.3
223I29.7Very low30.2Very low160 Ų160139 Ų13982%0.82176%0.755SS**  trans75.2130.4150.7-64.6159.4000115.9
224S28.9Very low30.6Very low91 Ų91141.1 Ų141.164%0.63677%0.768SS**  cis-167170.9-20.3-161.70000110.9
225D31.7Very low30.9Very low118 Ų118141.4 Ų141.463%0.63176%0.76SS**  trans75.7123.1151.2-78.5-78.6000123.2
226Q34.8Very low31.3Very low164 Ų164145.6 Ų145.677%0.76677%0.765SS**  trans75.1102.2141.1-66.1165.351.600118.7
227V29.4Very low31.7Very low134 Ų134149.7 Ų149.781%0.81277%0.771SS**  90.9108.460166.90000113.3
228V33.2Very low32Very low143 Ų143151.6 Ų151.687%0.86776%0.763SS**  trans-143.1152.8132.7174.30000107.3
229K30.3Very low32.2Very low172 Ų172154.6 Ų154.675%0.74877%0.77SS**  trans-124.3161.4-174-147.6-176.1-171.3-172.50109.6
230Y34.3Very low32.4Very low214 Ų214154.4 Ų154.484%0.83977%0.774SS**  trans169.1157.3135.7-87-50.4000111.3
231P36.7Very low32.5Very low102 Ų102156.2 Ų156.266%0.66278%0.781SS**  -129.4-175-11845.3-32.1000116.7
232D29.8Very low32.7Very low148 Ų148158.8 Ų158.879%0.79179%0.788SS**  trans-60.8163.1172.6-37.1-98.4000114.9
233E37.1Very low32.7Very low183 Ų183153.9 Ų153.986%0.85578%0.783SS**  trans-140.3130.6131.2-78.3-149.8140.100113.2
234T36.3Very low32.8Very low127 Ų127153.2 Ų153.278%0.77978%0.779SS**  trans63.2101.415453.60000122
235E31.1Very low32.6Very low140 Ų140154.7 Ų154.765%0.65478%0.784SS**  trans-66.7154.5141.1-59.9179108.900111.1K238E235-K238 IonicContact OE1-NZ 3.97Å; E235-K238 PolarHBondContact OE1-NZ 3.12Å
236K36Very low32.5Very low194 Ų194154.8 Ų154.884%0.84379%0.785SS**  168.6106.8115.5-91.9165.8-174176.30113.5
237E36.6Very low32.3Very low201 Ų201154.5 Ų154.594%0.93978%0.784SS**  trans-159.8112.1133-115.8167.7-152.200108.4
238K33.1Very low32.3Very low169 Ų169152.4 Ų152.474%0.73578%0.775SS**  trans-135.6120.9177.8-84.1173176.8150.20107.4E235E235-K238 IonicContact OE1-NZ 3.97Å; E235-K238 PolarHBondContact OE1-NZ 3.12Å
239E33.8Very low32.1Very low184 Ų184150.3 Ų150.386%0.8677%0.767SS**  trans-168.7162.8141.7-107.9158.3-150.100109.2
240N31.1Very low31.9Very low155 Ų155148.1 Ų148.183%0.82976%0.763SS**  trans64.949.7-178.6-56.3-27.5000117.4
241I33.8Very low31.7Very low163 Ų163145.1 Ų145.184%0.83675%0.754SS**  trans-103.1110.4148.2-62.7180000107.4
242N31.1Very low31.9Very low149 Ų149144.8 Ų144.880%0.79774%0.744SS**  trans-71.6130.6175.1-82.8-23000110.3I244N242-I244 PolarHBondContact O-N 3.01Å
243V27.6Very low32.5Very low121 Ų121142.9 Ų142.973%0.73374%0.741SS**  trans-78.5109.1178.9179.40000109.6T245V243-T245 HydrophobicContact CG1-CG2 3.81Å
244I31.6Very low33.7Very low146 Ų146136.5 Ų136.575%0.74971%0.713SS**  trans-112.897.1158.4-61179.2000106.8N242 D246N242-I244 PolarHBondContact O-N 3.01Å; I244-D246 HydrophobicContact CG2-CB 4.2Å
245T26Very low35.6Very low121 Ų121134.2 Ų134.274%0.74270%0.695SS**  trans-90.593.9168.545.10000108.7V243V243-T245 HydrophobicContact CG1-CG2 3.81Å
246D28.1Very low37.9Very low120 Ų120132.1 Ų132.164%0.64269%0.686SS**  trans-140.1135.6175.6-108.6-53.9000113.4I244I244-D246 HydrophobicContact CG2-CB 4.2Å
247Q31.5Very low39.9Very low159 Ų159126.2 Ų126.274%0.74366%0.661SS**  trans62.388.9151.6-68.7158.559.900120
248S29.5Very low42.1Very low89 Ų89118 Ų11862%0.62263%0.626SS**  trans57.7112.1130.455.30000120.8N250S248-N250 PolarHBondContact O-N 3.07Å; S248-N250 VanDerWaalsContact O-N 3.11Å
249S27.9Very low44.6Very low100 Ų100110.2 Ų110.270%0.69959%0.593SS**  trans-6896.5158.654.80000111.7F251S249-F251 PolarHBondContact O-N 3.36Å
250N27.9Very low47.1Very low126 Ų126101.9 Ų101.967%0.67456%0.555SS**  trans-73.786.4179-76.4-11.8000112.5S248 H252S248-N250 PolarHBondContact O-N 3.07Å; S248-N250 VanDerWaalsContact O-N 3.11Å; N250-H252 PolarHBondContact O-N 3.01Å
251F30.2Very low49.6Very low150 Ų15094.5 Ų94.566%0.65852%0.515SS*.  trans-75.197.9164.3-77.2-79.3000110T213 S249 C253T213-F251 HydrophobicContact CG2-CD1 4.29Å; T213-F251 HydrophobicContact CG2-CE1 3.46Å; T213-F251 VanDerWaalsContact CG2-CE1 3.46Å; T213-F251 HydrophobicContact CG2-CE2 4.37Å; T213-F251 HydrophobicContact CG2-CZ 3.52Å; S249-F251 PolarHBondContact O-N 3.36Å; F251-C253 PolarHBondContact O-N 2.79Å; F251-C253 VanDerWaalsContact O-N 3.14Å
252H39.7Very low52.2Low96 Ų9687.8 Ų87.844%0.44448%0.479SS..  trans-63.5112.3171.4-100.9-76.3000110.4N250N250-H252 PolarHBondContact O-N 3.01Å
253C41.7Very low55.1Low108 Ų10880.7 Ų80.773%0.7344%0.442SS*.PPolyproline II helixtrans-72.1139.5167.5-167.50000109.5F251F251-C253 PolarHBondContact O-N 2.79Å; F251-C253 VanDerWaalsContact O-N 3.14Å
254L63.3Low58.1Low49 Ų4975 Ų7526%0.25741%0.407SS..PPolyproline II helixtrans-80.8127.9172-70.6177.2000109.7L51 P198L51-L254 HydrophobicContact CD1-CB 3.56Å; L51-L254 HydrophobicContact CD1-CD1 4.47Å; P198-L254 HydrophobicContact CB-CD1 4.17Å; P198-L254 HydrophobicContact CB-CD2 3.8Å; P198-L254 HydrophobicContact CG-CD2 3.76Å
255D75.8Confident60.8Low78 Ų7868.1 Ų68.142%0.41737%0.372SS..PPolyproline II helixtrans-79.3156.7175.778.979.6000112.2E257 S258 A259D255-E257 PolarHBondContact O-N 3.47Å; D255-E257 WeakPolarHBondContact OD1-CA 3.46Å; D255-E257 WeakPolarHBondContact OD1-CB 3.41Å; D255-E257 PolarHBondContact OD1-N 3.24Å; D255-S258 PolarHBondContact OD1-N 3.03Å; D255-S258 PolarHBondContact OD1-OG 3.43Å; D255-S258 VanDerWaalsContact OD2-CB 3.23Å; D255-S258 WeakPolarHBondContact OD2-CB 3.17Å; D255-S258 PolarHBondContact OD2-OG 3.46Å; D255-A259 PolarHBondContact O-N 2.76Å; D255-A259 VanDerWaalsContact O-N 3.15Å
256Q79.5Confident64Low96 Ų9662.8 Ų62.845%0.44934%0.338SS..Hα-helixtrans-69.7-28.5-176.4176.471.1-5.100113.2V260Q256-V260 WeakPolarHBondContact O-CG2 3.36Å; Q256-V260 PolarHBondContact O-N 3.43Å; Q256-V260 VanDerWaalsContact O-N 3.1Å
257E79.2Confident67.1Low71 Ų7157.1 Ų57.133%0.33231%0.308SS..Hα-helixtrans-71.3-48.2177165.8163.6-169.100109.8L127 W129 D255 A259 V260 I261L127-E257 WeakPolarHBondContact CD1-OE1 3.43Å; W129-E257 PolarHBondContact NE1-OE1 2.71Å; D255-E257 PolarHBondContact O-N 3.47Å; D255-E257 WeakPolarHBondContact OD1-CA 3.46Å; D255-E257 WeakPolarHBondContact OD1-CB 3.41Å; D255-E257 PolarHBondContact OD1-N 3.24Å; E257-A259 VanDerWaalsContact C-N 3.28Å; E257-A259 PolarHBondContact O-N 2.93Å; E257-V260 PolarHBondContact O-N 3.22Å; E257-V260 VanDerWaalsContact O-N 3.1Å; E257-I261 HydrophobicContact CG-CD1 3.4Å; E257-I261 VanDerWaalsContact CG-CD1 3.4Å; E257-I261 HydrophobicContact CG-CG1 4.44Å; E257-I261 WeakPolarHBondContact O-CB 3.26Å; E257-I261 WeakPolarHBondContact O-CD1 3.48Å; E257-I261 WeakPolarHBondContact O-CG1 3.41Å; E257-I261 PolarHBondContact O-N 3.26Å
258S81Confident69.8Low28 Ų2849.7 Ų49.720%0.19627%0.273CS..Hα-helixtrans-55.2-40.6173.3-700000112.4D255 I261 Y262D255-S258 PolarHBondContact OD1-N 3.03Å; D255-S258 PolarHBondContact OD1-OG 3.43Å; D255-S258 VanDerWaalsContact OD2-CB 3.23Å; D255-S258 WeakPolarHBondContact OD2-CB 3.17Å; D255-S258 PolarHBondContact OD2-OG 3.46Å; S258-I261 PolarHBondContact O-N 3.19Å; S258-Y262 WeakPolarHBondContact O-CB 3.44Å; S258-Y262 PolarHBondContact O-N 2.92Å
259A86.2Confident72.8Confident6 Ų645.4 Ų45.45%0.0524%0.244CC..Hα-helixtrans-64.2-45.6174.100000112.7P50 L51 V54 D255 E257 I261 Y262 L263P50-A259 HydrophobicContact CB-CB 4.31Å; L51-A259 HydrophobicContact CB-CB 4.35Å; V54-A259 HydrophobicContact CG2-CB 4.32Å; D255-A259 PolarHBondContact O-N 2.76Å; D255-A259 VanDerWaalsContact O-N 3.15Å; E257-A259 VanDerWaalsContact C-N 3.28Å; E257-A259 PolarHBondContact O-N 2.93Å; A259-I261 PolarHBondContact O-N 3.23Å; A259-Y262 PolarHBondContact O-N 2.93Å; A259-L263 VanDerWaalsContact O-CG 3.31Å; A259-L263 WeakPolarHBondContact O-CG 3.11Å; A259-L263 PolarHBondContact O-N 3.46Å
260V87.5Confident75.9Confident8 Ų840.7 Ų40.75%0.04821%0.211CC..Hα-helixtrans-62.1-42.7175.8166.40000111.5P50 L120 I124 Q256 E257 L263 V264P50-V260 HydrophobicContact CB-CG2 3.85Å; P50-V260 HydrophobicContact CG-CG2 3.91Å; L120-V260 HydrophobicContact CB-CG1 4.37Å; L120-V260 VanDerWaalsContact O-CG1 3.32Å; L120-V260 WeakPolarHBondContact O-CG1 3.36Å; I124-V260 HydrophobicContact CD1-CG1 3.67Å; I124-V260 HydrophobicContact CG1-CG1 4.32Å; Q256-V260 WeakPolarHBondContact O-CG2 3.36Å; Q256-V260 PolarHBondContact O-N 3.43Å; Q256-V260 VanDerWaalsContact O-N 3.1Å; E257-V260 PolarHBondContact O-N 3.22Å; E257-V260 VanDerWaalsContact O-N 3.1Å; V260-L263 PolarHBondContact O-N 3.08Å; V260-V264 WeakPolarHBondContact O-CG2 3.35Å; V260-V264 PolarHBondContact O-N 3.34Å
261I83.1Confident78.9Confident0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-61.4-46.9176.4-79.1153.6000111.6W129 E257 S258 A259 L263 V264 H265 V294W129-I261 HydrophobicContact CH2-CD1 4.21Å; W129-I261 HydrophobicContact CH2-CG1 3.39Å; W129-I261 HydrophobicContact CZ2-CD1 3.67Å; W129-I261 HydrophobicContact CZ2-CG1 3.37Å; W129-I261 HydrophobicContact CZ3-CG1 4.43Å; E257-I261 HydrophobicContact CG-CD1 3.4Å; E257-I261 VanDerWaalsContact CG-CD1 3.4Å; E257-I261 HydrophobicContact CG-CG1 4.44Å; E257-I261 WeakPolarHBondContact O-CB 3.26Å; E257-I261 WeakPolarHBondContact O-CD1 3.48Å; E257-I261 WeakPolarHBondContact O-CG1 3.41Å; E257-I261 PolarHBondContact O-N 3.26Å; S258-I261 PolarHBondContact O-N 3.19Å; A259-I261 PolarHBondContact O-N 3.23Å; I261-L263 VanDerWaalsContact C-N 3.3Å; I261-L263 PolarHBondContact O-N 3.45Å; I261-V264 PolarHBondContact O-N 3.43Å; I261-H265 WeakPolarHBondContact O-CB 3.28Å; I261-H265 PolarHBondContact O-N 3.24Å; I261-V294 HydrophobicContact CG2-CG1 3.94Å; I261-V294 WeakPolarHBondContact O-CG1 3.49Å
262Y88.4Confident81.6Confident22 Ų2227.6 Ų27.69%0.08615%0.147CC..Hα-helixtrans-59.2-43.1175.6169-92.8000111.1V54 E59 I200 S258 A259 V264 H265 H266V54-Y262 HydrophobicContact CB-CD1 4.26Å; V54-Y262 HydrophobicContact CB-CE1 4.49Å; V54-Y262 HydrophobicContact CG1-CD1 3.76Å; V54-Y262 HydrophobicContact CG1-CE1 3.94Å; V54-Y262 HydrophobicContact CG1-CG 4.35Å; V54-Y262 HydrophobicContact CG2-CD1 3.45Å; V54-Y262 VanDerWaalsContact CG2-CD1 3.45Å; V54-Y262 HydrophobicContact CG2-CE1 3.94Å; V54-Y262 HydrophobicContact CG2-CG 4.45Å; E59-Y262 HydrophobicContact CG-CE1 3.93Å; I200-Y262 HydrophobicContact CB-CE2 4.47Å; I200-Y262 HydrophobicContact CD1-CD2 3.78Å; I200-Y262 HydrophobicContact CD1-CE2 3.89Å; I200-Y262 HydrophobicContact CG1-CD2 3.93Å; I200-Y262 HydrophobicContact CG1-CE2 3.77Å; I200-Y262 HydrophobicContact CG2-CE2 4.04Å; S258-Y262 WeakPolarHBondContact O-CB 3.44Å; S258-Y262 PolarHBondContact O-N 2.92Å; A259-Y262 PolarHBondContact O-N 2.93Å; Y262-V264 PolarHBondContact O-N 3.37Å; Y262-H265 WeakPolarHBondContact O-CB 3.14Å; Y262-H265 PolarHBondContact O-N 3.22Å; Y262-H266 VanDerWaalsContact O-CB 3.28Å; Y262-H266 WeakPolarHBondContact O-CB 3.47Å; Y262-H266 PolarHBondContact O-N 3.12Å
263L91.8Very high84Confident1 Ų123 Ų231%0.00513%0.126CC..Hα-helixtrans-66.3-37.1177.8-69.7166.6000112.3I46 P50 T53 V54 E59 L120 A259 V260 I261 C267I46-L263 HydrophobicContact CG2-CD1 4.19Å; I46-L263 HydrophobicContact CG2-CD2 4.26Å; P50-L263 HydrophobicContact CB-CD1 3.76Å; T53-L263 HydrophobicContact CG2-CD2 3.96Å; V54-L263 HydrophobicContact CG2-CD1 4.12Å; V54-L263 HydrophobicContact CG2-CD2 3.98Å; V54-L263 HydrophobicContact CG2-CG 3.81Å; E59-L263 HydrophobicContact CB-CD2 3.71Å; E59-L263 HydrophobicContact CG-CD2 3.86Å; L120-L263 HydrophobicContact CD1-CB 3.69Å; L120-L263 HydrophobicContact CD2-CB 4.44Å; L120-L263 HydrophobicContact CD2-CD1 4.08Å; A259-L263 VanDerWaalsContact O-CG 3.31Å; A259-L263 WeakPolarHBondContact O-CG 3.11Å; A259-L263 PolarHBondContact O-N 3.46Å; V260-L263 PolarHBondContact O-N 3.08Å; I261-L263 VanDerWaalsContact C-N 3.3Å; I261-L263 PolarHBondContact O-N 3.45Å; L263-C267 WeakPolarHBondContact O-CB 3.25Å; L263-C267 PolarHBondContact O-N 3.46Å; L263-C267 PolarHBondContact O-SG 3.38Å
264V89.5Confident86.1Confident0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-69.1-40.6174.4172.30000111.5I117 L120 L121 V260 I261 Y262 C267 L268 V294I117-V264 HydrophobicContact CG1-CG1 4.49Å; I117-V264 HydrophobicContact CG2-CG1 4.13Å; L120-V264 HydrophobicContact CB-CG2 4.02Å; L120-V264 HydrophobicContact CD1-CG2 4.38Å; L121-V264 HydrophobicContact CD2-CG1 4.43Å; L121-V264 HydrophobicContact CD2-CG2 3.78Å; L121-V264 HydrophobicContact CG-CG2 4.01Å; V260-V264 WeakPolarHBondContact O-CG2 3.35Å; V260-V264 PolarHBondContact O-N 3.34Å; I261-V264 PolarHBondContact O-N 3.43Å; Y262-V264 PolarHBondContact O-N 3.37Å; V264-C267 PolarHBondContact O-N 2.73Å; V264-L268 HydrophobicContact CG1-CD1 4.03Å; V264-L268 WeakPolarHBondContact O-CG 3.27Å; V264-L268 PolarHBondContact O-N 2.81Å; V264-V294 HydrophobicContact CB-CG1 4.4Å; V264-V294 HydrophobicContact CG1-CG1 4.2Å; V264-V294 HydrophobicContact CG1-CG2 4.17Å
265H89.4Confident86.9Confident2 Ų215.5 Ų15.51%0.0098%0.079CC..Hα-helixtrans-57.4-51.3171.1171.8-95.8000111.5I261 Y262 C267 L268 V269 S291 V294 H295 S298 S301I261-H265 WeakPolarHBondContact O-CB 3.28Å; I261-H265 PolarHBondContact O-N 3.24Å; Y262-H265 WeakPolarHBondContact O-CB 3.14Å; Y262-H265 PolarHBondContact O-N 3.22Å; H265-C267 PolarHBondContact O-N 2.95Å; H265-L268 PolarHBondContact O-N 3.26Å; H265-V269 WeakPolarHBondContact O-CG2 3.41Å; H265-V269 PolarHBondContact O-N 2.96Å; H265-S291 PolarHBondContact CD2-O 3.46Å; H265-S291 VanDerWaalsContact CD2-O 3.29Å; H265-V294 HydrophobicContact CB-CG1 4.15Å; H265-H295 HydrophobicContact CB-CB 3.96Å; H265-S298 PolarHBondContact CE1-OG 3.48Å; H265-S298 VanDerWaalsContact CE1-OG 3.27Å; H265-S301 PolarHBondContact NE2-OG 2.88Å
266H92.5Very high87.4Confident9 Ų912.4 Ų12.44%0.0426%0.061CC..Hα-helixtrans-52.9-52.5174.3169.8104000110.6E59 Y113 Y262 L268 V269 H270E59-H266 PolarHBondContact O-CE1 3.26Å; Y113-H266 AromaticContact CE1-CD2 3.87Å; Y113-H266 AromaticContact CE1-NE2 3.74Å; Y262-H266 VanDerWaalsContact O-CB 3.28Å; Y262-H266 WeakPolarHBondContact O-CB 3.47Å; Y262-H266 PolarHBondContact O-N 3.12Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 2.89Å; H266-V269 PolarHBondContact O-N 3.35Å; H266-H270 AromaticContact CD2-CD2 3.59Å; H266-H270 AromaticContact CE1-CD2 3.37Å; H266-H270 PolarHBondContact CE1-CD2 2.91Å; H266-H270 AromaticContact CE1-NE2 3.3Å; H266-H270 PolarHBondContact CE1-NE2 3.08Å; H266-H270 VanDerWaalsContact CE1-NE2 3.3Å; H266-H270 AromaticContact CG-CD2 3.75Å; H266-H270 AromaticContact ND1-CD2 3.64Å; H266-H270 AromaticContact ND1-NE2 3.65Å; H266-H270 AromaticContact NE2-CD2 3.32Å; H266-H270 PolarHBondContact NE2-CD2 3.38Å; H266-H270 VanDerWaalsContact NE2-CD2 3.32Å; H266-H270 AromaticContact NE2-NE2 3.73Å; H266-H270 PolarHBondContact O-CD2 3.42Å; H266-H270 PolarHBondContact O-N 3.03Å
267C93.5Very high87.6Confident2 Ų28 Ų81%0.0144%0.041CC..Hα-helixtrans-58.8-41.6179.7-67.80000112.7Y113 I117 L263 V264 H265 H270 L271Y113-C267 HydrophobicContact CD1-CB 3.82Å; I117-C267 HydrophobicContact CD1-CB 3.69Å; I117-C267 HydrophobicContact CG1-CB 3.4Å; L263-C267 WeakPolarHBondContact O-CB 3.25Å; L263-C267 PolarHBondContact O-N 3.46Å; L263-C267 PolarHBondContact O-SG 3.38Å; V264-C267 PolarHBondContact O-N 2.73Å; H265-C267 PolarHBondContact O-N 2.95Å; C267-H270 PolarHBondContact O-N 3.39Å; C267-L271 WeakPolarHBondContact O-CG 3.41Å; C267-L271 PolarHBondContact O-N 3.49Å
268L89.1Confident87.7Confident2 Ų27.6 Ų7.61%0.014%0.036CC..Hα-helixtrans-67.7-42.7177.3-72.3165.5000112.1I117 V264 H265 H266 H270 L271 G272 Y287 W290 V294I117-L268 HydrophobicContact CD1-CD2 3.86Å; I117-L268 HydrophobicContact CD1-CG 3.91Å; V264-L268 HydrophobicContact CG1-CD1 4.03Å; V264-L268 WeakPolarHBondContact O-CG 3.27Å; V264-L268 PolarHBondContact O-N 2.81Å; H265-L268 PolarHBondContact O-N 3.26Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 2.89Å; L268-H270 VanDerWaalsContact C-N 3.27Å; L268-H270 PolarHBondContact O-N 3.3Å; L268-L271 HydrophobicContact CD2-CD1 4.48Å; L268-L271 PolarHBondContact O-N 3.01Å; L268-G272 PolarHBondContact O-N 3.12Å; L268-Y287 HydrophobicContact CD2-CD1 4.29Å; L268-Y287 WeakPolarHBondContact O-CB 3.47Å; L268-W290 HydrophobicContact CD1-CB 4.29Å; L268-W290 HydrophobicContact CD2-CB 4.24Å; L268-V294 HydrophobicContact CD1-CG2 3.76Å
269V90.7Very high87.7Confident0 Ų09.9 Ų9.90%04%0.044CC..Hα-helixtrans-61-38.4173.1176.70000111H265 H266 G272 D273 Y288 S291 Q304H265-V269 WeakPolarHBondContact O-CG2 3.41Å; H265-V269 PolarHBondContact O-N 2.96Å; H266-V269 PolarHBondContact O-N 3.35Å; V269-G272 CarbonylContact O-C 3.53Å; V269-G272 WeakPolarHBondContact O-CA 3.47Å; V269-G272 PolarHBondContact O-N 3.36Å; V269-D273 PolarHBondContact O-N 2.65Å; V269-Y288 HydrophobicContact CG1-CD1 4.48Å; V269-Y288 HydrophobicContact CG1-CE1 4.23Å; V269-Y288 WeakPolarHBondContact O-CE1 3.36Å; V269-S291 WeakPolarHBondContact CG2-OG 3.38Å; V269-Q304 HydrophobicContact CG1-CG 4.09Å
270H93.7Very high87.4Confident1 Ų113.5 Ų13.51%0.0056%0.06CC..Hα-helixtrans-71.9-34177.6-77.9-69000113.6W63 Y113 R203 H266 C267 L268 G272 D273 I274W63-H270 AromaticContact CD1-CE1 3.43Å; W63-H270 VanDerWaalsContact CD1-CE1 3.43Å; W63-H270 AromaticContact CD2-CE1 3.14Å; W63-H270 AromaticContact CD2-ND1 3.04Å; W63-H270 AromaticContact CE2-CE1 3.33Å; W63-H270 AromaticContact CE2-ND1 3.28Å; W63-H270 VanDerWaalsContact CE2-ND1 3.28Å; W63-H270 HydrophobicContact CE3-CB 4.29Å; W63-H270 AromaticContact CE3-CE1 3.7Å; W63-H270 AromaticContact CE3-CG 3.82Å; W63-H270 AromaticContact CE3-ND1 3.1Å; W63-H270 AromaticContact CG-CE1 3.19Å; W63-H270 AromaticContact CG-ND1 3.63Å; W63-H270 AromaticContact CG-NE2 3.99Å; W63-H270 AromaticContact CH2-ND1 3.61Å; W63-H270 AromaticContact CZ2-CE1 4Å; W63-H270 AromaticContact CZ2-ND1 3.56Å; W63-H270 HydrophobicContact CZ3-CB 4.21Å; W63-H270 AromaticContact CZ3-ND1 3.39Å; W63-H270 WeakPolarHBondContact CZ3-ND1 3.29Å; W63-H270 AromaticContact NE1-CE1 3.47Å; W63-H270 PolarHBondContact NE1-CE1 3.37Å; W63-H270 AromaticContact NE1-ND1 3.92Å; Y113-H270 HydrophobicContact CD1-CB 4.18Å; Y113-H270 HydrophobicContact CD2-CB 4.11Å; Y113-H270 HydrophobicContact CE1-CB 3.84Å; Y113-H270 HydrophobicContact CE2-CB 3.79Å; Y113-H270 HydrophobicContact CG-CB 4.29Å; Y113-H270 AromaticContact CZ-CG 3.9Å; R203-H270 PolarHBondContact NH2-CE1 3.03Å; R203-H270 PolarHBondContact NH2-NE2 3.5Å; H266-H270 AromaticContact CD2-CD2 3.59Å; H266-H270 AromaticContact CE1-CD2 3.37Å; H266-H270 PolarHBondContact CE1-CD2 2.91Å; H266-H270 AromaticContact CE1-NE2 3.3Å; H266-H270 PolarHBondContact CE1-NE2 3.08Å; H266-H270 VanDerWaalsContact CE1-NE2 3.3Å; H266-H270 AromaticContact CG-CD2 3.75Å; H266-H270 AromaticContact ND1-CD2 3.64Å; H266-H270 AromaticContact ND1-NE2 3.65Å; H266-H270 AromaticContact NE2-CD2 3.32Å; H266-H270 PolarHBondContact NE2-CD2 3.38Å; H266-H270 VanDerWaalsContact NE2-CD2 3.32Å; H266-H270 AromaticContact NE2-NE2 3.73Å; H266-H270 PolarHBondContact O-CD2 3.42Å; H266-H270 PolarHBondContact O-N 3.03Å; C267-H270 PolarHBondContact O-N 3.39Å; L268-H270 VanDerWaalsContact C-N 3.27Å; L268-H270 PolarHBondContact O-N 3.3Å; H270-G272 VanDerWaalsContact C-N 3.29Å; H270-G272 PolarHBondContact O-N 3.22Å; H270-D273 IonicContact ND1-OD2 3.84Å; H270-D273 PolarHBondContact O-N 3.3Å; H270-I274 WeakPolarHBondContact O-CB 3.41Å; H270-I274 VanDerWaalsContact O-CD1 3.31Å; H270-I274 WeakPolarHBondContact O-CD1 3.42Å; H270-I274 WeakPolarHBondContact O-CG1 3.23Å; H270-I274 PolarHBondContact O-N 3.33Å
271L90.2Very high86.8Confident0 Ų016 Ų160%08%0.076CC..Hα-helixtrans-61.6-37.8166.8-73.9168.3000111.8F114 I117 C267 L268 I274 A275 Y287F114-L271 HydrophobicContact CD1-CD1 4.17Å; F114-L271 HydrophobicContact CD2-CD2 3.96Å; F114-L271 HydrophobicContact CE1-CD1 4.33Å; F114-L271 HydrophobicContact CE2-CD2 4.13Å; F114-L271 HydrophobicContact CG-CD1 4.33Å; F114-L271 HydrophobicContact CG-CD2 4.37Å; I117-L271 HydrophobicContact CD1-CD1 3.67Å; C267-L271 WeakPolarHBondContact O-CG 3.41Å; C267-L271 PolarHBondContact O-N 3.49Å; L268-L271 HydrophobicContact CD2-CD1 4.48Å; L268-L271 PolarHBondContact O-N 3.01Å; L271-I274 PolarHBondContact O-N 3.39Å; L271-A275 WeakPolarHBondContact O-CB 3.44Å; L271-A275 PolarHBondContact O-N 2.78Å; L271-Y287 HydrophobicContact CB-CD1 3.75Å; L271-Y287 HydrophobicContact CB-CD2 3.91Å; L271-Y287 HydrophobicContact CB-CE1 3.87Å; L271-Y287 HydrophobicContact CB-CE2 4Å; L271-Y287 HydrophobicContact CB-CG 3.79Å; L271-Y287 HydrophobicContact CD1-CD1 4.24Å; L271-Y287 HydrophobicContact CD1-CE1 3.95Å; L271-Y287 HydrophobicContact CG-CE1 4.41Å; L271-Y287 WeakPolarHBondContact O-CD2 3.24Å
272G87.4Confident86.5Confident0 Ų019.9 Ų19.90%010%0.097CC..Hα-helixtrans-63.6-46.8171.500000113.4L268 V269 H270 I274 A275 R276 A284 Y288L268-G272 PolarHBondContact O-N 3.12Å; V269-G272 CarbonylContact O-C 3.53Å; V269-G272 WeakPolarHBondContact O-CA 3.47Å; V269-G272 PolarHBondContact O-N 3.36Å; H270-G272 VanDerWaalsContact C-N 3.29Å; H270-G272 PolarHBondContact O-N 3.22Å; G272-I274 VanDerWaalsContact C-N 3.31Å; G272-I274 PolarHBondContact O-N 3.19Å; G272-A275 PolarHBondContact O-N 3.2Å; G272-R276 PolarHBondContact O-N 3.26Å; G272-A284 WeakPolarHBondContact O-CB 3.4Å; G272-Y288 PolarHBondContact O-OH 3.33Å; G272-Y288 VanDerWaalsContact O-OH 3.09Å
273D89.5Confident86Confident0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-58.4-45.1175.1-88.2-10.6000109.8W63 R203 V269 H270 R276 Y277 Y288 Q304W63-D273 HydrophobicContact CH2-CB 4.08Å; W63-D273 HydrophobicContact CZ2-CB 4.26Å; R203-D273 IonicContact CZ-OD2 3.19Å; R203-D273 IonicContact NH1-OD2 2.8Å; R203-D273 PolarHBondContact NH1-OD2 2.79Å; R203-D273 IonicContact NH2-OD2 3.01Å; R203-D273 PolarHBondContact NH2-OD2 3.02Å; V269-D273 PolarHBondContact O-N 2.65Å; H270-D273 IonicContact ND1-OD2 3.84Å; H270-D273 PolarHBondContact O-N 3.3Å; D273-R276 WeakPolarHBondContact O-CB 3.39Å; D273-R276 PolarHBondContact O-N 3.27Å; D273-R276 IonicContact OD1-CZ 3.56Å; D273-R276 VanDerWaalsContact OD1-CZ 3.3Å; D273-R276 IonicContact OD1-NH1 3.59Å; D273-R276 PolarHBondContact OD1-NH1 3.49Å; D273-R276 IonicContact OD1-NH2 3.61Å; D273-R276 PolarHBondContact OD1-NH2 2.86Å; D273-Y277 HydrophobicContact CB-CE2 4.01Å; D273-Y277 WeakPolarHBondContact O-CD2 3.4Å; D273-Y277 WeakPolarHBondContact O-CE2 3.39Å; D273-Y277 PolarHBondContact O-N 3.39Å; D273-Y288 WeakPolarHBondContact CA-OH 3.39Å; D273-Y288 PolarHBondContact N-OH 2.91Å; D273-Y288 VanDerWaalsContact N-OH 3.14Å; D273-Y288 PolarHBondContact OD1-OH 2.86Å; D273-Q304 PolarHBondContact OD1-NE2 3.01Å
274I86.9Confident85.4Confident0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-61.1-45.4176.5-70.1160.7000111.8W63 L106 A109 Y113 H270 L271 G272 R276 Y277 R278W63-I274 HydrophobicContact CH2-CG1 4.33Å; W63-I274 HydrophobicContact CZ3-CD1 4.34Å; W63-I274 HydrophobicContact CZ3-CG1 4.23Å; L106-I274 HydrophobicContact CB-CG2 4.2Å; L106-I274 HydrophobicContact CD2-CB 4.41Å; L106-I274 HydrophobicContact CD2-CG1 4.27Å; L106-I274 HydrophobicContact CD2-CG2 4.11Å; A109-I274 HydrophobicContact CB-CD1 3.55Å; A109-I274 HydrophobicContact CB-CG1 4.24Å; Y113-I274 HydrophobicContact CD2-CD1 3.84Å; Y113-I274 HydrophobicContact CE2-CD1 4.34Å; H270-I274 WeakPolarHBondContact O-CB 3.41Å; H270-I274 VanDerWaalsContact O-CD1 3.31Å; H270-I274 WeakPolarHBondContact O-CD1 3.42Å; H270-I274 WeakPolarHBondContact O-CG1 3.23Å; H270-I274 PolarHBondContact O-N 3.33Å; L271-I274 PolarHBondContact O-N 3.39Å; G272-I274 VanDerWaalsContact C-N 3.31Å; G272-I274 PolarHBondContact O-N 3.19Å; I274-R276 VanDerWaalsContact C-N 3.33Å; I274-R276 PolarHBondContact O-N 3.41Å; I274-Y277 PolarHBondContact O-N 3.41Å; I274-R278 WeakPolarHBondContact O-CG 3.26Å; I274-R278 PolarHBondContact O-N 3.45Å
275A80.3Confident84.9Confident0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-64.4-35.7175.800000112.2L271 G272 R278 Q279 Q280 V283 A284 Y287L271-A275 WeakPolarHBondContact O-CB 3.44Å; L271-A275 PolarHBondContact O-N 2.78Å; G272-A275 PolarHBondContact O-N 3.2Å; A275-R278 PolarHBondContact O-N 3.48Å; A275-Q279 PolarHBondContact O-N 3.37Å; A275-Q280 WeakPolarHBondContact O-CB 3.31Å; A275-Q280 PolarHBondContact O-N 2.92Å; A275-V283 HydrophobicContact CB-CB 4.27Å; A275-V283 HydrophobicContact CB-CG1 4.17Å; A275-A284 HydrophobicContact CB-CB 3.8Å; A275-Y287 HydrophobicContact CB-CD2 4.06Å; A275-Y287 HydrophobicContact CB-CE2 4.1Å
276R85.9Confident84.2Confident12 Ų1222.5 Ų22.55%0.04512%0.122CC..Hα-helixtrans-63.7-45.1171.7-172.3178.765.6-123.8-14.9111.1G272 D273 I274 R278 Q279 A284 Y288 L308 A1123G272-R276 PolarHBondContact O-N 3.26Å; D273-R276 WeakPolarHBondContact O-CB 3.39Å; D273-R276 PolarHBondContact O-N 3.27Å; D273-R276 IonicContact OD1-CZ 3.56Å; D273-R276 VanDerWaalsContact OD1-CZ 3.3Å; D273-R276 IonicContact OD1-NH1 3.59Å; D273-R276 PolarHBondContact OD1-NH1 3.49Å; D273-R276 IonicContact OD1-NH2 3.61Å; D273-R276 PolarHBondContact OD1-NH2 2.86Å; I274-R276 VanDerWaalsContact C-N 3.33Å; I274-R276 PolarHBondContact O-N 3.41Å; R276-R278 VanDerWaalsContact C-N 3.29Å; R276-R278 PolarHBondContact O-N 3.22Å; R276-Q279 PolarHBondContact O-N 2.92Å; R276-Q279 PolarHBondContact O-NE2 3.39Å; R276-A284 HydrophobicContact CB-CB 4.27Å; R276-Y288 PolarHBondContact NH1-OH 2.92Å; R276-L308 HydrophobicContact CG-CD2 4.07Å; R276-A1123 HydrophobicContact CG-CB 4.36Å
277Y84.6Confident83.8Confident3 Ų322.9 Ų22.91%0.01212%0.123CC..Hα-helixtrans-64.3-31.7176-60-49.3000113W63 I71 L106 D273 I274 Q279 A1123W63-Y277 HydrophobicContact CH2-CE2 4.05Å; W63-Y277 HydrophobicContact CZ2-CE2 4.1Å; I71-Y277 HydrophobicContact CD1-CD2 3.98Å; I71-Y277 HydrophobicContact CD1-CE2 4.08Å; I71-Y277 HydrophobicContact CG2-CD1 4.37Å; I71-Y277 HydrophobicContact CG2-CD2 4.32Å; I71-Y277 HydrophobicContact CG2-CE1 4.43Å; I71-Y277 HydrophobicContact CG2-CE2 4.39Å; I71-Y277 HydrophobicContact CG2-CG 4.35Å; L106-Y277 HydrophobicContact CD2-CD2 4.01Å; L106-Y277 HydrophobicContact CD2-CG 4.36Å; D273-Y277 HydrophobicContact CB-CE2 4.01Å; D273-Y277 WeakPolarHBondContact O-CD2 3.4Å; D273-Y277 WeakPolarHBondContact O-CE2 3.39Å; D273-Y277 PolarHBondContact O-N 3.39Å; I274-Y277 PolarHBondContact O-N 3.41Å; Y277-Q279 PolarHBondContact O-N 3.34Å; Y277-A1123 HydrophobicContact CD1-CB 3.71Å; Y277-A1123 HydrophobicContact CE1-CB 3.75Å
278R81Confident83.4Confident64 Ų6422.8 Ų22.824%0.24212%0.122CC..THydrogen-bonded Turntrans-70.3-2.8169.8-73.2-177.7175.3136.8-10.9114.5L106 D107 S110 I274 A275 R276 Q280L106-R278 HydrophobicContact CB-CG 4.39Å; L106-R278 HydrophobicContact CD1-CG 4.11Å; D107-R278 IonicContact OD1-CZ 2.85Å; D107-R278 IonicContact OD1-NE 3.68Å; D107-R278 PolarHBondContact OD1-NE 3.25Å; D107-R278 IonicContact OD1-NH2 3.39Å; D107-R278 PolarHBondContact OD1-NH2 3.49Å; S110-R278 PolarHBondContact OG-NH1 3.28Å; S110-R278 VanDerWaalsContact OG-NH1 3.08Å; S110-R278 PolarHBondContact OG-NH2 2.98Å; I274-R278 WeakPolarHBondContact O-CG 3.26Å; I274-R278 PolarHBondContact O-N 3.45Å; A275-R278 PolarHBondContact O-N 3.48Å; R276-R278 VanDerWaalsContact C-N 3.29Å; R276-R278 PolarHBondContact O-N 3.22Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; R278-Q280 HydrophobicContact CB-CG 4Å; R278-Q280 VanDerWaalsContact CD-OE1 3.28Å
279Q80.1Confident83Confident75 Ų7523.8 Ų23.835%0.3513%0.127SC..THydrogen-bonded Turntrans60.938.2-172-53.3-61.3-48.400113.4A275 R276 Y277 P281 L1131A275-Q279 PolarHBondContact O-N 3.37Å; R276-Q279 PolarHBondContact O-N 2.92Å; R276-Q279 PolarHBondContact O-NE2 3.39Å; Y277-Q279 PolarHBondContact O-N 3.34Å; Q279-P281 WeakPolarHBondContact O-CD 3.23Å; Q279-L1131 HydrophobicContact CG-CD1 3.87Å
280Q79.4Confident82.5Confident83 Ų8325.6 Ų25.639%0.38813%0.134SC..  trans-112.866.8178-63.2173.5-29.700110.5A275 R278 N282 V283 A284A275-Q280 WeakPolarHBondContact O-CB 3.31Å; A275-Q280 PolarHBondContact O-N 2.92Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; R278-Q280 HydrophobicContact CB-CG 4Å; R278-Q280 VanDerWaalsContact CD-OE1 3.28Å; Q280-N282 VanDerWaalsContact C-N 3.32Å; Q280-N282 PolarHBondContact O-N 3.25Å; Q280-V283 HydrophobicContact CB-CB 4.02Å; Q280-V283 HydrophobicContact CB-CG2 4.06Å; Q280-V283 PolarHBondContact O-N 3.08Å; Q280-V283 VanDerWaalsContact O-N 3.1Å; Q280-A284 PolarHBondContact O-N 3.47Å
281P76.1Confident82.1Confident59 Ų5925.6 Ų25.638%0.38313%0.134SC..Hα-helixtrans-61-35.7-17024.7-35000113.4Q279 V283 A284 A285 L308Q279-P281 WeakPolarHBondContact O-CD 3.23Å; P281-V283 PolarHBondContact O-N 3.44Å; P281-A284 PolarHBondContact O-N 3.44Å; P281-A285 WeakPolarHBondContact O-CB 3.48Å; P281-A285 PolarHBondContact O-N 3.09Å; P281-L308 HydrophobicContact CB-CD2 4.1Å; P281-L308 WeakPolarHBondContact O-CD1 3.41Å
282N76.2Confident81.9Confident83 Ų8326 Ų2644%0.44414%0.136SC..Hα-helixtrans-65.8-38.8177.6-60.22.4000111.9V155 Q280 G286V155-N282 WeakPolarHBondContact CG1-ND2 3.39Å; Q280-N282 VanDerWaalsContact C-N 3.32Å; Q280-N282 PolarHBondContact O-N 3.25Å; N282-G286 PolarHBondContact O-N 2.93Å; N282-G286 VanDerWaalsContact O-N 3.13Å
283V77.2Confident81.5Confident42 Ų4227.8 Ų27.826%0.25515%0.146SC..Hα-helixtrans-71-40176.7-175.80000110.1L144 A275 Q280 P281 G286 Y287L144-V283 HydrophobicContact CD2-CG2 4.17Å; A275-V283 HydrophobicContact CB-CB 4.27Å; A275-V283 HydrophobicContact CB-CG1 4.17Å; Q280-V283 HydrophobicContact CB-CB 4.02Å; Q280-V283 HydrophobicContact CB-CG2 4.06Å; Q280-V283 PolarHBondContact O-N 3.08Å; Q280-V283 VanDerWaalsContact O-N 3.1Å; P281-V283 PolarHBondContact O-N 3.44Å; V283-G286 PolarHBondContact O-N 3.15Å; V283-Y287 HydrophobicContact CG1-CD2 4.16Å; V283-Y287 HydrophobicContact CG1-CE2 3.6Å; V283-Y287 VanDerWaalsContact O-CD2 3.26Å; V283-Y287 WeakPolarHBondContact O-CD2 3.4Å; V283-Y287 PolarHBondContact O-N 3.24Å; V283-Y287 VanDerWaalsContact O-N 3.12Å
284A79.3Confident81Confident0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-60.6-45.817400000112.1G272 A275 R276 Q280 P281 G286 Y287 Y288 L308G272-A284 WeakPolarHBondContact O-CB 3.4Å; A275-A284 HydrophobicContact CB-CB 3.8Å; R276-A284 HydrophobicContact CB-CB 4.27Å; Q280-A284 PolarHBondContact O-N 3.47Å; P281-A284 PolarHBondContact O-N 3.44Å; A284-G286 VanDerWaalsContact C-N 3.3Å; A284-G286 PolarHBondContact O-N 3.45Å; A284-Y287 PolarHBondContact O-N 3.18Å; A284-Y288 HydrophobicContact CB-CD2 4.5Å; A284-Y288 HydrophobicContact CB-CE2 3.88Å; A284-Y288 WeakPolarHBondContact O-CD2 3.41Å; A284-Y288 VanDerWaalsContact O-CG 3.31Å; A284-Y288 PolarHBondContact O-N 3.3Å; A284-L308 HydrophobicContact CB-CD1 4.04Å; A284-L308 HydrophobicContact CB-CD2 4.31Å
285A79.9Confident80.8Confident12 Ų1228.2 Ų28.210%0.09915%0.149CC..Hα-helixtrans-57.8-42.7174.900000111.7P281 Y287 Y288 L289 L305 L308P281-A285 WeakPolarHBondContact O-CB 3.48Å; P281-A285 PolarHBondContact O-N 3.09Å; A285-Y287 PolarHBondContact O-N 3.31Å; A285-Y288 PolarHBondContact O-N 3.26Å; A285-L289 WeakPolarHBondContact O-CB 3.41Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 2.88Å; A285-L305 HydrophobicContact CB-CD2 4.12Å; A285-L308 HydrophobicContact CB-CD1 3.79Å
286G74.5Confident81Confident26 Ų2628.5 Ų28.527%0.26815%0.15SC..Hα-helixtrans-55.1-49.5173.100000112.9N282 V283 A284 Y288 L289 W290N282-G286 PolarHBondContact O-N 2.93Å; N282-G286 VanDerWaalsContact O-N 3.13Å; V283-G286 PolarHBondContact O-N 3.15Å; A284-G286 VanDerWaalsContact C-N 3.3Å; A284-G286 PolarHBondContact O-N 3.45Å; G286-Y288 PolarHBondContact O-N 3.36Å; G286-L289 PolarHBondContact O-N 2.87Å; G286-W290 PolarHBondContact O-N 3.46Å
287Y83.6Confident80.9Confident17 Ų1728.9 Ų28.97%0.06715%0.153CC..Hα-helixtrans-64.7-37.4177.1-68.8-58000113.7F114 L268 L271 A275 V283 A284 A285 W290 S291F114-Y287 HydrophobicContact CE1-CE1 4.41Å; F114-Y287 HydrophobicContact CZ-CE1 4.16Å; F114-Y287 WeakPolarHBondContact CZ-OH 3.36Å; L268-Y287 HydrophobicContact CD2-CD1 4.29Å; L268-Y287 WeakPolarHBondContact O-CB 3.47Å; L271-Y287 HydrophobicContact CB-CD1 3.75Å; L271-Y287 HydrophobicContact CB-CD2 3.91Å; L271-Y287 HydrophobicContact CB-CE1 3.87Å; L271-Y287 HydrophobicContact CB-CE2 4Å; L271-Y287 HydrophobicContact CB-CG 3.79Å; L271-Y287 HydrophobicContact CD1-CD1 4.24Å; L271-Y287 HydrophobicContact CD1-CE1 3.95Å; L271-Y287 HydrophobicContact CG-CE1 4.41Å; L271-Y287 WeakPolarHBondContact O-CD2 3.24Å; A275-Y287 HydrophobicContact CB-CD2 4.06Å; A275-Y287 HydrophobicContact CB-CE2 4.1Å; V283-Y287 HydrophobicContact CG1-CD2 4.16Å; V283-Y287 HydrophobicContact CG1-CE2 3.6Å; V283-Y287 VanDerWaalsContact O-CD2 3.26Å; V283-Y287 WeakPolarHBondContact O-CD2 3.4Å; V283-Y287 PolarHBondContact O-N 3.24Å; V283-Y287 VanDerWaalsContact O-N 3.12Å; A284-Y287 PolarHBondContact O-N 3.18Å; A285-Y287 PolarHBondContact O-N 3.31Å; Y287-W290 PolarHBondContact O-N 3.39Å; Y287-S291 PolarHBondContact O-N 3.43Å
288Y86.6Confident81.2Confident0 Ų028.8 Ų28.80%015%0.153CC..Hα-helixtrans-70.2-33.4176.6-57.8-45.1000112.7V269 G272 D273 R276 A284 A285 G286 S291 W292 Q304 L305 L308V269-Y288 HydrophobicContact CG1-CD1 4.48Å; V269-Y288 HydrophobicContact CG1-CE1 4.23Å; V269-Y288 WeakPolarHBondContact O-CE1 3.36Å; G272-Y288 PolarHBondContact O-OH 3.33Å; G272-Y288 VanDerWaalsContact O-OH 3.09Å; D273-Y288 WeakPolarHBondContact CA-OH 3.39Å; D273-Y288 PolarHBondContact N-OH 2.91Å; D273-Y288 VanDerWaalsContact N-OH 3.14Å; D273-Y288 PolarHBondContact OD1-OH 2.86Å; R276-Y288 PolarHBondContact NH1-OH 2.92Å; A284-Y288 HydrophobicContact CB-CD2 4.5Å; A284-Y288 HydrophobicContact CB-CE2 3.88Å; A284-Y288 WeakPolarHBondContact O-CD2 3.41Å; A284-Y288 VanDerWaalsContact O-CG 3.31Å; A284-Y288 PolarHBondContact O-N 3.3Å; A285-Y288 PolarHBondContact O-N 3.26Å; G286-Y288 PolarHBondContact O-N 3.36Å; Y288-S291 PolarHBondContact O-OG 3.3Å; Y288-W292 PolarHBondContact O-N 2.94Å; Y288-Q304 HydrophobicContact CD1-CB 3.58Å; Y288-Q304 HydrophobicContact CD1-CG 4Å; Y288-Q304 HydrophobicContact CD2-CB 3.77Å; Y288-Q304 HydrophobicContact CE1-CB 3.4Å; Y288-Q304 HydrophobicContact CE1-CG 3.63Å; Y288-Q304 HydrophobicContact CE2-CB 3.62Å; Y288-Q304 HydrophobicContact CG-CB 3.77Å; Y288-Q304 VanDerWaalsContact CZ-CB 3.43Å; Y288-L305 HydrophobicContact CD2-CD2 4.28Å; Y288-L308 HydrophobicContact CD2-CD1 3.78Å; Y288-L308 HydrophobicContact CD2-CG 4.45Å; Y288-L308 HydrophobicContact CE2-CD1 3.72Å; Y288-L308 HydrophobicContact CE2-CG 4.05Å
289L80.8Confident81.6Confident22 Ų2225.8 Ų25.812%0.11514%0.142CC..Hα-helixtrans-66.9-44170.8-70.9169000110.8L161 A285 G286 S291 W292 V293 L305 F750L161-L289 HydrophobicContact CD1-CD2 4.17Å; A285-L289 WeakPolarHBondContact O-CB 3.41Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 2.88Å; G286-L289 PolarHBondContact O-N 2.87Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 2.92Å; L289-W292 PolarHBondContact O-N 3.19Å; L289-V293 WeakPolarHBondContact O-CG2 3.45Å; L289-V293 PolarHBondContact O-N 3.38Å; L289-L305 HydrophobicContact CD2-CD1 4.1Å; L289-F750 HydrophobicContact CB-CZ 4.18Å
290W79.7Confident82.1Confident39 Ų3923.1 Ų23.115%0.14813%0.129CC..Hα-helixtrans-64.2-33.8174.9-78.7114.7000113.5I136 L268 G286 Y287 V293 V294 F750I136-W290 HydrophobicContact CB-CZ2 4.39Å; I136-W290 HydrophobicContact CD1-CH2 3.29Å; I136-W290 HydrophobicContact CD1-CZ2 3.6Å; I136-W290 HydrophobicContact CD1-CZ3 4.2Å; I136-W290 HydrophobicContact CG1-CH2 4.5Å; I136-W290 HydrophobicContact CG2-CH2 4.34Å; I136-W290 HydrophobicContact CG2-CZ2 3.67Å; L268-W290 HydrophobicContact CD1-CB 4.29Å; L268-W290 HydrophobicContact CD2-CB 4.24Å; G286-W290 PolarHBondContact O-N 3.46Å; Y287-W290 PolarHBondContact O-N 3.39Å; W290-V293 HydrophobicContact CE3-CB 4.15Å; W290-V293 HydrophobicContact CE3-CG1 4.05Å; W290-V293 HydrophobicContact CE3-CG2 4.4Å; W290-V293 HydrophobicContact CZ3-CB 4.45Å; W290-V293 HydrophobicContact CZ3-CG1 3.97Å; W290-V293 PolarHBondContact O-N 2.94Å; W290-V294 WeakPolarHBondContact O-CG2 3.34Å; W290-V294 PolarHBondContact O-N 3.41Å; W290-F750 HydrophobicContact CD2-CE2 4.39Å; W290-F750 AromaticContact CE2-CE2 4Å; W290-F750 HydrophobicContact CE3-CE2 4.37Å; W290-F750 AromaticContact CH2-CD2 3.87Å; W290-F750 HydrophobicContact CH2-CD2 3.87Å; W290-F750 AromaticContact CH2-CE2 3.53Å; W290-F750 HydrophobicContact CH2-CE2 3.53Å; W290-F750 AromaticContact CZ2-CD2 3.99Å; W290-F750 HydrophobicContact CZ2-CD2 3.99Å; W290-F750 AromaticContact CZ2-CE2 3.54Å; W290-F750 HydrophobicContact CZ2-CE2 3.54Å; W290-F750 AromaticContact CZ3-CE2 3.98Å; W290-F750 HydrophobicContact CZ3-CE2 3.98Å
291S84.9Confident82.6Confident0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-69.1-43.6172.672.20000111.4H265 V269 Y287 Y288 L289 V293 V294 H295 S301H265-S291 PolarHBondContact CD2-O 3.46Å; H265-S291 VanDerWaalsContact CD2-O 3.29Å; V269-S291 WeakPolarHBondContact CG2-OG 3.38Å; Y287-S291 PolarHBondContact O-N 3.43Å; Y288-S291 PolarHBondContact O-OG 3.3Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 PolarHBondContact O-N 2.92Å; S291-V293 PolarHBondContact O-N 3.21Å; S291-V294 PolarHBondContact O-N 3.38Å; S291-H295 PolarHBondContact O-N 3.38Å; S291-S301 PolarHBondContact OG-OG 3.05Å
292W86.1Confident83.4Confident9 Ų916.7 Ų16.73%0.0349%0.094CC..Hα-helixtrans-55.5-39.7171.8162.967.9000112.1Y288 L289 V294 H295 P296 S301 F302 V722 P749 F750Y288-W292 PolarHBondContact O-N 2.94Å; L289-W292 PolarHBondContact O-N 3.19Å; W292-V294 VanDerWaalsContact C-N 3.33Å; W292-V294 PolarHBondContact O-N 2.96Å; W292-H295 CarbonylContact O-C 3.53Å; W292-H295 VanDerWaalsContact O-C 3.27Å; W292-H295 PolarHBondContact O-N 3.18Å; W292-P296 WeakPolarHBondContact O-CA 3.45Å; W292-P296 WeakPolarHBondContact O-CB 3.19Å; W292-P296 WeakPolarHBondContact O-CD 3.32Å; W292-S301 PolarHBondContact N-OG 3.44Å; W292-F302 AromaticContact CD1-CE2 3.38Å; W292-F302 AromaticContact CD1-CZ 3.22Å; W292-F302 HydrophobicContact CD2-CZ 4.23Å; W292-F302 HydrophobicContact CG-CE1 4.41Å; W292-F302 HydrophobicContact CG-CE2 4.16Å; W292-F302 AromaticContact CG-CZ 3.73Å; W292-F302 HydrophobicContact CG-CZ 3.73Å; W292-F302 AromaticContact NE1-CE2 3.89Å; W292-F302 AromaticContact NE1-CZ 3.47Å; W292-V722 WeakPolarHBondContact CZ2-O 3.5Å; W292-P749 HydrophobicContact CH2-CB 4.5Å; W292-F750 HydrophobicContact CZ3-CE1 4.26Å
293V79.5Confident84.2Confident37 Ų3712.8 Ų12.822%0.2247%0.073CC..Hα-helixtrans-61.2-37.7174.9165.60000113L289 W290 S291 P749 F750L289-V293 WeakPolarHBondContact O-CG2 3.45Å; L289-V293 PolarHBondContact O-N 3.38Å; W290-V293 HydrophobicContact CE3-CB 4.15Å; W290-V293 HydrophobicContact CE3-CG1 4.05Å; W290-V293 HydrophobicContact CE3-CG2 4.4Å; W290-V293 HydrophobicContact CZ3-CB 4.45Å; W290-V293 HydrophobicContact CZ3-CG1 3.97Å; W290-V293 PolarHBondContact O-N 2.94Å; S291-V293 PolarHBondContact O-N 3.21Å; V293-P749 HydrophobicContact CB-CG 4.23Å; V293-P749 HydrophobicContact CG1-CG 3.73Å; V293-P749 HydrophobicContact CG2-CB 3.85Å; V293-P749 HydrophobicContact CG2-CG 3.43Å; V293-P749 VanDerWaalsContact CG2-CG 3.43Å; V293-F750 HydrophobicContact CG2-CE2 3.99Å; V293-F750 HydrophobicContact CG2-CZ 3.78Å
294V78.4Confident84.9Confident2 Ų210.9 Ų10.91%0.0126%0.061CC..Hα-helixtrans-73.6-37.7178.2170.30000112.2I133 I261 V264 H265 L268 W290 S291 W292 R735I133-V294 HydrophobicContact CD1-CG2 3.41Å; I133-V294 VanDerWaalsContact CD1-CG2 3.41Å; I261-V294 HydrophobicContact CG2-CG1 3.94Å; I261-V294 WeakPolarHBondContact O-CG1 3.49Å; V264-V294 HydrophobicContact CB-CG1 4.4Å; V264-V294 HydrophobicContact CG1-CG1 4.2Å; V264-V294 HydrophobicContact CG1-CG2 4.17Å; H265-V294 HydrophobicContact CB-CG1 4.15Å; L268-V294 HydrophobicContact CD1-CG2 3.76Å; W290-V294 WeakPolarHBondContact O-CG2 3.34Å; W290-V294 PolarHBondContact O-N 3.41Å; S291-V294 PolarHBondContact O-N 3.38Å; W292-V294 VanDerWaalsContact C-N 3.33Å; W292-V294 PolarHBondContact O-N 2.96Å; V294-R735 PolarHBondContact O-NH2 3.44Å
295H82.7Confident85.3Confident8 Ų811.2 Ų11.24%0.0376%0.063CC..  trans-139.771.1-175.5-157-49.2000111.5H265 S291 W292 D297 S298 H334H265-H295 HydrophobicContact CB-CB 3.96Å; S291-H295 PolarHBondContact O-N 3.38Å; W292-H295 CarbonylContact O-C 3.53Å; W292-H295 VanDerWaalsContact O-C 3.27Å; W292-H295 PolarHBondContact O-N 3.18Å; H295-D297 PolarHBondContact O-N 3.1Å; H295-S298 WeakPolarHBondContact O-CB 3.44Å; H295-S298 PolarHBondContact O-N 3.39Å; H295-H334 AromaticContact CE1-CD2 3.54Å; H295-H334 AromaticContact CE1-NE2 3.89Å
296P83.7Confident85.7Confident5 Ų510.6 Ų10.63%0.0326%0.058CC..THydrogen-bonded Turntrans-62.9-20.5-174.617.6-27.3000113.8W292 S298 C332 Q724 T733W292-P296 WeakPolarHBondContact O-CA 3.45Å; W292-P296 WeakPolarHBondContact O-CB 3.19Å; W292-P296 WeakPolarHBondContact O-CD 3.32Å; P296-S298 PolarHBondContact O-N 3.05Å; P296-C332 PolarHBondContact O-SG 3.47Å; P296-C332 VanDerWaalsContact O-SG 3.39Å; P296-Q724 HydrophobicContact CB-CB 3.88Å; P296-Q724 HydrophobicContact CG-CB 4.32Å; P296-T733 HydrophobicContact CB-CG2 4.23Å; P296-T733 HydrophobicContact CG-CG2 3.67Å
297D85.5Confident86.3Confident21 Ų2110 Ų1011%0.1125%0.049CC..THydrogen-bonded Turntrans-72-2.4171.7-63.6-52.9000114.9H295 C332 L333 H334 T733H295-D297 PolarHBondContact O-N 3.1Å; D297-C332 WeakPolarHBondContact O-CB 3.41Å; D297-L333 HydrophobicContact CB-CB 4.1Å; D297-L333 PolarHBondContact O-N 3.02Å; D297-H334 PolarHBondContact O-N 2.96Å; D297-T733 WeakPolarHBondContact OD1-CG2 3.16Å; D297-T733 VanDerWaalsContact OD2-CG2 3.25Å; D297-T733 WeakPolarHBondContact OD2-CG2 3.32Å
298S88.9Confident86.4Confident1 Ų19.7 Ų9.71%0.0075%0.048CC..BIsolated β-bridgetrans-102.4117.6-179.5-171.70000113H265 H295 P296 H300H265-S298 PolarHBondContact CE1-OG 3.48Å; H265-S298 VanDerWaalsContact CE1-OG 3.27Å; H295-S298 WeakPolarHBondContact O-CB 3.44Å; H295-S298 PolarHBondContact O-N 3.39Å; P296-S298 PolarHBondContact O-N 3.05Å; S298-H300 PolarHBondContact O-N 3.37Å
299G89.9Confident86.3Confident0 Ų09.8 Ų9.80%05%0.049CC..THydrogen-bonded Turntrans-67.9-16.8174.500000114.5S301 F302 N303 A329 H334G299-S301 VanDerWaalsContact C-N 3.33Å; G299-S301 PolarHBondContact O-N 3.32Å; G299-F302 PolarHBondContact O-N 3.47Å; G299-F302 VanDerWaalsContact O-N 3.12Å; G299-N303 PolarHBondContact O-N 3.3Å; G299-A329 WeakPolarHBondContact CA-O 3.24Å; G299-A329 WeakPolarHBondContact O-CA 3.17Å; G299-A329 VanDerWaalsContact O-CB 3.3Å; G299-A329 WeakPolarHBondContact O-CB 3.28Å; G299-H334 PolarHBondContact N-O 3.3Å
300H90.7Very high86.4Confident19 Ų1910 Ų109%0.0885%0.053CC..Hα-helixtrans-58.4-43-176.1-172-168.9000112.1S298 F302 N303 Q304 F336S298-H300 PolarHBondContact O-N 3.37Å; H300-F302 VanDerWaalsContact C-N 3.3Å; H300-F302 PolarHBondContact O-N 3.15Å; H300-N303 PolarHBondContact O-N 2.98Å; H300-Q304 WeakPolarHBondContact O-CG 3.44Å; H300-Q304 PolarHBondContact O-N 2.89Å; H300-Q304 VanDerWaalsContact O-N 3.14Å; H300-F336 HydrophobicContact CB-CD2 3.93Å; H300-F336 HydrophobicContact CB-CE2 4.27Å; H300-F336 AromaticContact CD2-CD2 3.92Å; H300-F336 AromaticContact CD2-CE2 3.4Å; H300-F336 VanDerWaalsContact CD2-CE2 3.4Å; H300-F336 WeakPolarHBondContact CD2-CE2 3.31Å; H300-F336 AromaticContact CD2-CZ 3.95Å; H300-F336 AromaticContact CG-CE2 3.9Å; H300-F336 AromaticContact NE2-CE2 3.96Å
301S90.4Very high86.4Confident0 Ų010.9 Ų10.90%06%0.064CC..Hα-helixtrans-59-41.3177.6-560000112.2H265 S291 W292 G299 Q304 L305H265-S301 PolarHBondContact NE2-OG 2.88Å; S291-S301 PolarHBondContact OG-OG 3.05Å; W292-S301 PolarHBondContact N-OG 3.44Å; G299-S301 VanDerWaalsContact C-N 3.33Å; G299-S301 PolarHBondContact O-N 3.32Å; S301-Q304 PolarHBondContact O-N 3.19Å; S301-L305 WeakPolarHBondContact O-CG 3.32Å; S301-L305 PolarHBondContact O-N 3.08Å; S301-L305 VanDerWaalsContact O-N 3.13Å
302F92.3Very high86.1Confident7 Ų711.9 Ų11.93%0.0317%0.068CC..Hα-helixtrans-71.9-35.9178.5-66.3-67.7000112.9W292 G299 H300 Q304 L305 A306 Y325 R328 A329W292-F302 AromaticContact CD1-CE2 3.38Å; W292-F302 AromaticContact CD1-CZ 3.22Å; W292-F302 HydrophobicContact CD2-CZ 4.23Å; W292-F302 HydrophobicContact CG-CE1 4.41Å; W292-F302 HydrophobicContact CG-CE2 4.16Å; W292-F302 AromaticContact CG-CZ 3.73Å; W292-F302 HydrophobicContact CG-CZ 3.73Å; W292-F302 AromaticContact NE1-CE2 3.89Å; W292-F302 AromaticContact NE1-CZ 3.47Å; G299-F302 PolarHBondContact O-N 3.47Å; G299-F302 VanDerWaalsContact O-N 3.12Å; H300-F302 VanDerWaalsContact C-N 3.3Å; H300-F302 PolarHBondContact O-N 3.15Å; F302-Q304 VanDerWaalsContact C-N 3.3Å; F302-Q304 PolarHBondContact O-N 3.13Å; F302-L305 HydrophobicContact CD1-CD1 4.23Å; F302-L305 PolarHBondContact O-N 3.35Å; F302-A306 WeakPolarHBondContact O-CB 3.39Å; F302-A306 PolarHBondContact O-N 2.89Å; F302-Y325 WeakPolarHBondContact CB-O 3.43Å; F302-Y325 HydrophobicContact CD1-CD1 4.32Å; F302-R328 HydrophobicContact CB-CB 3.87Å; F302-R328 HydrophobicContact CD1-CB 3.58Å; F302-R328 HydrophobicContact CD1-CG 4.15Å; F302-R328 HydrophobicContact CD2-CB 3.71Å; F302-R328 HydrophobicContact CE1-CB 3.98Å; F302-R328 HydrophobicContact CE1-CG 4.15Å; F302-R328 HydrophobicContact CE2-CB 4.08Å; F302-R328 HydrophobicContact CG-CB 3.44Å; F302-R328 VanDerWaalsContact CG-CB 3.44Å; F302-R328 HydrophobicContact CG-CG 4.45Å; F302-R328 HydrophobicContact CZ-CB 4.2Å; F302-R328 HydrophobicContact CZ-CG 4.44Å; F302-A329 HydrophobicContact CB-CB 3.89Å
303N93.3Very high85.4Confident2 Ų214.9 Ų14.91%0.0119%0.089CC..Hα-helixtrans-60.3-41.1171.8-176.682.1000111.4G299 H300 A306 I307 A329 F336 S339G299-N303 PolarHBondContact O-N 3.3Å; H300-N303 PolarHBondContact O-N 2.98Å; N303-A306 WeakPolarHBondContact O-CB 3.44Å; N303-A306 PolarHBondContact O-N 3.35Å; N303-I307 VanDerWaalsContact ND2-CD1 3.32Å; N303-I307 WeakPolarHBondContact ND2-CD1 3.25Å; N303-I307 WeakPolarHBondContact O-CG1 3.47Å; N303-I307 PolarHBondContact O-N 3.12Å; N303-A329 HydrophobicContact CB-CB 4.12Å; N303-F336 HydrophobicContact CB-CB 4.44Å; N303-F336 HydrophobicContact CB-CD1 3.57Å; N303-F336 HydrophobicContact CB-CE1 3.96Å; N303-F336 HydrophobicContact CB-CG 4.05Å; N303-F336 VanDerWaalsContact CG-CE1 3.41Å; N303-F336 WeakPolarHBondContact ND2-CE1 3.44Å; N303-S339 WeakPolarHBondContact CB-OG 3.28Å; N303-S339 PolarHBondContact OD1-OG 3.28Å
304Q91.2Very high84.8Confident1 Ų116.8 Ų16.81%0.00510%0.097CC..Hα-helixtrans-69.4-33.2178-54.9-48.182.600112.7V269 D273 Y288 H300 S301 F302 I307 L308V269-Q304 HydrophobicContact CG1-CG 4.09Å; D273-Q304 PolarHBondContact OD1-NE2 3.01Å; Y288-Q304 HydrophobicContact CD1-CB 3.58Å; Y288-Q304 HydrophobicContact CD1-CG 4Å; Y288-Q304 HydrophobicContact CD2-CB 3.77Å; Y288-Q304 HydrophobicContact CE1-CB 3.4Å; Y288-Q304 HydrophobicContact CE1-CG 3.63Å; Y288-Q304 HydrophobicContact CE2-CB 3.62Å; Y288-Q304 HydrophobicContact CG-CB 3.77Å; Y288-Q304 VanDerWaalsContact CZ-CB 3.43Å; H300-Q304 WeakPolarHBondContact O-CG 3.44Å; H300-Q304 PolarHBondContact O-N 2.89Å; H300-Q304 VanDerWaalsContact O-N 3.14Å; S301-Q304 PolarHBondContact O-N 3.19Å; F302-Q304 VanDerWaalsContact C-N 3.3Å; F302-Q304 PolarHBondContact O-N 3.13Å; Q304-I307 PolarHBondContact O-N 2.91Å; Q304-L308 PolarHBondContact O-N 3.48Å; Q304-L308 VanDerWaalsContact O-N 3.14Å
305L88.9Confident84.4Confident7 Ų721.1 Ų21.14%0.03713%0.125CC..Hα-helixtrans-66.5-40.7170.2-70.5168.8000112A285 Y288 L289 S301 F302 I307 L308 E309 Y325A285-L305 HydrophobicContact CB-CD2 4.12Å; Y288-L305 HydrophobicContact CD2-CD2 4.28Å; L289-L305 HydrophobicContact CD2-CD1 4.1Å; S301-L305 WeakPolarHBondContact O-CG 3.32Å; S301-L305 PolarHBondContact O-N 3.08Å; S301-L305 VanDerWaalsContact O-N 3.13Å; F302-L305 HydrophobicContact CD1-CD1 4.23Å; F302-L305 PolarHBondContact O-N 3.35Å; L305-I307 VanDerWaalsContact C-N 3.31Å; L305-I307 PolarHBondContact O-N 3.38Å; L305-L308 PolarHBondContact O-N 3.01Å; L305-L308 VanDerWaalsContact O-N 3.17Å; L305-E309 PolarHBondContact O-N 3.49Å; L305-Y325 HydrophobicContact CB-CD1 3.9Å; L305-Y325 HydrophobicContact CB-CD2 4.39Å; L305-Y325 HydrophobicContact CB-CE1 4.04Å; L305-Y325 HydrophobicContact CB-CG 4.1Å; L305-Y325 HydrophobicContact CD1-CD1 4.36Å; L305-Y325 HydrophobicContact CD1-CE1 4.09Å
306A88.5Confident83.9Confident0 Ų023.5 Ų23.50%013%0.134CC..Hα-helixtrans-60.2-39.9173.900000112F302 N303 E309 A310 L322 Y326F302-A306 WeakPolarHBondContact O-CB 3.39Å; F302-A306 PolarHBondContact O-N 2.89Å; N303-A306 WeakPolarHBondContact O-CB 3.44Å; N303-A306 PolarHBondContact O-N 3.35Å; A306-E309 PolarHBondContact O-N 2.98Å; A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 3.13Å; A306-L322 HydrophobicContact CB-CD1 4.17Å; A306-L322 WeakPolarHBondContact O-CD1 3.42Å; A306-Y326 HydrophobicContact CB-CD1 3.46Å; A306-Y326 VanDerWaalsContact CB-CD1 3.46Å; A306-Y326 HydrophobicContact CB-CD2 4.12Å; A306-Y326 HydrophobicContact CB-CE1 3.32Å; A306-Y326 HydrophobicContact CB-CE2 4.03Å; A306-Y326 HydrophobicContact CB-CG 3.86Å
307I86.3Confident83.7Confident14 Ų1425 Ų257%0.07214%0.139CC..Hα-helixtrans-62.8-43.9173.9-70.2158.4000111.1N303 Q304 L305 E309 A310 T311 S1121N303-I307 VanDerWaalsContact ND2-CD1 3.32Å; N303-I307 WeakPolarHBondContact ND2-CD1 3.25Å; N303-I307 WeakPolarHBondContact O-CG1 3.47Å; N303-I307 PolarHBondContact O-N 3.12Å; Q304-I307 PolarHBondContact O-N 2.91Å; L305-I307 VanDerWaalsContact C-N 3.31Å; L305-I307 PolarHBondContact O-N 3.38Å; I307-E309 PolarHBondContact O-N 3.34Å; I307-A310 PolarHBondContact O-N 3.24Å; I307-T311 WeakPolarHBondContact O-CG2 3.5Å; I307-T311 PolarHBondContact O-N 3.34Å; I307-T311 PolarHBondContact O-OG1 2.9Å; I307-S1121 WeakPolarHBondContact CD1-OG 3.47Å
308L85.3Confident83.6Confident10 Ų1026.4 Ų26.45%0.05215%0.15CC..Hα-helixtrans-60.8-45175.5-68.6-177.8000111.6R276 P281 A284 A285 Y288 Q304 L305 A310 T311 K312R276-L308 HydrophobicContact CG-CD2 4.07Å; P281-L308 HydrophobicContact CB-CD2 4.1Å; P281-L308 WeakPolarHBondContact O-CD1 3.41Å; A284-L308 HydrophobicContact CB-CD1 4.04Å; A284-L308 HydrophobicContact CB-CD2 4.31Å; A285-L308 HydrophobicContact CB-CD1 3.79Å; Y288-L308 HydrophobicContact CD2-CD1 3.78Å; Y288-L308 HydrophobicContact CD2-CG 4.45Å; Y288-L308 HydrophobicContact CE2-CD1 3.72Å; Y288-L308 HydrophobicContact CE2-CG 4.05Å; Q304-L308 PolarHBondContact O-N 3.48Å; Q304-L308 VanDerWaalsContact O-N 3.14Å; L305-L308 PolarHBondContact O-N 3.01Å; L305-L308 VanDerWaalsContact O-N 3.17Å; L308-A310 PolarHBondContact O-N 2.91Å; L308-T311 WeakPolarHBondContact CA-OG1 3.24Å; L308-T311 PolarHBondContact O-N 3.12Å; L308-T311 PolarHBondContact O-OG1 3.1Å; L308-K312 PolarHBondContact O-N 3.5Å
309E84.4Confident83.5Confident1 Ų126.5 Ų26.51%0.00515%0.15CC..Hα-helixtrans-58.8-46.1175.4-172.561.9-131.600111.5L305 A306 I307 T311 K312 C318 A321 L322 Y325L305-E309 PolarHBondContact O-N 3.49Å; A306-E309 PolarHBondContact O-N 2.98Å; I307-E309 PolarHBondContact O-N 3.34Å; E309-T311 VanDerWaalsContact C-N 3.32Å; E309-T311 PolarHBondContact O-N 2.87Å; E309-K312 WeakPolarHBondContact O-CB 3.16Å; E309-K312 PolarHBondContact O-N 3.42Å; E309-K312 WeakPolarHBondContact OE1-CD 3.46Å; E309-K312 WeakPolarHBondContact OE1-CE 3.15Å; E309-K312 IonicContact OE1-NZ 3.3Å; E309-K312 PolarHBondContact OE1-NZ 2.86Å; E309-K312 WeakPolarHBondContact OE2-CE 3.4Å; E309-K312 IonicContact OE2-NZ 2.79Å; E309-K312 PolarHBondContact OE2-NZ 3.42Å; E309-C318 PolarHBondContact OE1-N 3.31Å; E309-A321 HydrophobicContact CG-CB 4.04Å; E309-L322 HydrophobicContact CB-CD1 4.2Å; E309-L322 HydrophobicContact CG-CB 3.88Å; E309-L322 HydrophobicContact CG-CD1 4.34Å; E309-Y325 HydrophobicContact CB-CD2 4.05Å; E309-Y325 HydrophobicContact CB-CE2 4.21Å; E309-Y325 HydrophobicContact CG-CD2 4.37Å; E309-Y325 HydrophobicContact CG-CE2 4.44Å
310A83Confident83.4Confident26 Ų2626.9 Ų26.922%0.21515%0.152CC..Hα-helixtrans-60.8-37.3175.900000112.8A306 I307 L308 K312 R317 L322A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 3.13Å; I307-A310 PolarHBondContact O-N 3.24Å; L308-A310 PolarHBondContact O-N 2.91Å; A310-K312 VanDerWaalsContact C-N 3.26Å; A310-K312 PolarHBondContact O-N 2.85Å; A310-R317 VanDerWaalsContact O-CZ 3.29Å; A310-R317 PolarHBondContact O-NE 3.34Å; A310-R317 PolarHBondContact O-NH2 2.85Å; A310-L322 HydrophobicContact CB-CD1 3.97Å; A310-L322 HydrophobicContact CB-CD2 4.27Å
311T80.8Confident83.3Confident59 Ų5926.1 Ų26.136%0.36215%0.149SC..Hα-helixtrans-72.4-10178.456.70000115I307 L308 E309I307-T311 WeakPolarHBondContact O-CG2 3.5Å; I307-T311 PolarHBondContact O-N 3.34Å; I307-T311 PolarHBondContact O-OG1 2.9Å; L308-T311 WeakPolarHBondContact CA-OG1 3.24Å; L308-T311 PolarHBondContact O-N 3.12Å; L308-T311 PolarHBondContact O-OG1 3.1Å; E309-T311 VanDerWaalsContact C-N 3.32Å; E309-T311 PolarHBondContact O-N 2.87Å
312K77.8Confident83.2Confident21 Ų2126.1 Ų26.19%0.09115%0.149CC..SBendtrans-60.7139.4175.2-68.3-174.4-170.8163.80111.4L308 E309 A310 R316 R317L308-K312 PolarHBondContact O-N 3.5Å; E309-K312 WeakPolarHBondContact O-CB 3.16Å; E309-K312 PolarHBondContact O-N 3.42Å; E309-K312 WeakPolarHBondContact OE1-CD 3.46Å; E309-K312 WeakPolarHBondContact OE1-CE 3.15Å; E309-K312 IonicContact OE1-NZ 3.3Å; E309-K312 PolarHBondContact OE1-NZ 2.86Å; E309-K312 WeakPolarHBondContact OE2-CE 3.4Å; E309-K312 IonicContact OE2-NZ 2.79Å; E309-K312 PolarHBondContact OE2-NZ 3.42Å; A310-K312 VanDerWaalsContact C-N 3.26Å; A310-K312 PolarHBondContact O-N 2.85Å; K312-R316 HydrophobicContact CB-CB 4.45Å; K312-R316 HydrophobicContact CD-CB 4.36Å; K312-R316 WeakPolarHBondContact CD-O 3.39Å; K312-R316 PolarHBondContact NZ-O 3.14Å; K312-R317 HydrophobicContact CB-CB 4.22Å
313P71Confident83.3Confident72 Ų7225.8 Ų25.847%0.46815%0.148SC..PPolyproline II helixtrans-69147.2171.430.8-34.9000110.5R316P313-R316 WeakPolarHBondContact O-CA 3.4Å; P313-R316 VanDerWaalsContact O-CB 3.27Å; P313-R316 WeakPolarHBondContact O-CB 3.49Å; P313-R316 PolarHBondContact O-N 3.38Å
314L68.2Low83.3Confident76 Ų7626.1 Ų26.140%0.39815%0.149SC..THydrogen-bonded Turntrans-65.8142.8170.9-61.9164.3000109.6R317 R384L314-R317 HydrophobicContact CD2-CB 4.39Å; L314-R384 HydrophobicContact CD1-CG 4.14Å; L314-R384 WeakPolarHBondContact CD1-O 3.11Å; L314-R384 VanDerWaalsContact CD2-O 3.25Å; L314-R384 WeakPolarHBondContact CD2-O 3.21Å
315P68.9Low83.3Confident94 Ų9426.5 Ų26.561%0.6115%0.15SC*.THydrogen-bonded Turncis-86.15.85.135.4-37000115.2R317 P386P315-R317 VanDerWaalsContact C-N 3.28Å; P315-R317 PolarHBondContact O-N 3.14Å; P315-P386 HydrophobicContact CB-CB 3.87Å
316R73.2Confident83.6Confident57 Ų5726.3 Ų26.322%0.21515%0.149CC..SBendtrans-74.2-8.1-166.8-53.1-176.1160.5141.2-0.9116H154 S156 D157 K312 P313 C318H154-R316 VanDerWaalsContact CB-NH2 3.27Å; H154-R316 PolarHBondContact CD2-NH2 3.31Å; H154-R316 VanDerWaalsContact CD2-NH2 3.3Å; S156-R316 WeakPolarHBondContact OG-CD 3.26Å; D157-R316 WeakPolarHBondContact OD1-CD 3.44Å; D157-R316 WeakPolarHBondContact OD1-CG 3.4Å; D157-R316 IonicContact OD1-CZ 2.71Å; D157-R316 IonicContact OD1-NE 2.73Å; D157-R316 PolarHBondContact OD1-NE 2.99Å; D157-R316 IonicContact OD1-NH2 3.48Å; D157-R316 IonicContact OD2-CZ 3.3Å; D157-R316 VanDerWaalsContact OD2-CZ 3.29Å; D157-R316 IonicContact OD2-NE 3.38Å; D157-R316 PolarHBondContact OD2-NE 2.78Å; D157-R316 VanDerWaalsContact OD2-NE 3.15Å; D157-R316 IonicContact OD2-NH2 3.19Å; D157-R316 PolarHBondContact OD2-NH2 3.09Å; K312-R316 HydrophobicContact CB-CB 4.45Å; K312-R316 HydrophobicContact CD-CB 4.36Å; K312-R316 WeakPolarHBondContact CD-O 3.39Å; K312-R316 PolarHBondContact NZ-O 3.14Å; P313-R316 WeakPolarHBondContact O-CA 3.4Å; P313-R316 VanDerWaalsContact O-CB 3.27Å; P313-R316 WeakPolarHBondContact O-CB 3.49Å; P313-R316 PolarHBondContact O-N 3.38Å; R316-C318 PolarHBondContact O-N 3.29Å
317R78.8Confident83.9Confident38 Ų3826.3 Ų26.314%0.14315%0.149CC..  trans-79.3114.8178.3-178-168-64.4152.5-0.6109.8A310 K312 L314 P315 L322 W385A310-R317 VanDerWaalsContact O-CZ 3.29Å; A310-R317 PolarHBondContact O-NE 3.34Å; A310-R317 PolarHBondContact O-NH2 2.85Å; K312-R317 HydrophobicContact CB-CB 4.22Å; L314-R317 HydrophobicContact CD2-CB 4.39Å; P315-R317 VanDerWaalsContact C-N 3.28Å; P315-R317 PolarHBondContact O-N 3.14Å; R317-L322 HydrophobicContact CG-CD2 4.41Å; R317-W385 HydrophobicContact CG-CZ3 4.16Å
318C83.5Confident84.2Confident50 Ų5025.7 Ų25.734%0.33815%0.146SC..  trans-91.1111.3178.8-630000109.3E309 R316 D320 A321 L322E309-C318 PolarHBondContact OE1-N 3.31Å; R316-C318 PolarHBondContact O-N 3.29Å; C318-D320 VanDerWaalsContact C-N 3.31Å; C318-D320 WeakPolarHBondContact CB-OD1 3.48Å; C318-D320 PolarHBondContact O-N 2.97Å; C318-A321 HydrophobicContact CB-CB 3.72Å; C318-A321 WeakPolarHBondContact O-CB 3.26Å; C318-A321 PolarHBondContact O-N 3.43Å; C318-L322 PolarHBondContact O-N 3.48Å
319I87.1Confident84.6Confident3 Ų325.2 Ų25.22%0.01514%0.143CC..Hα-helixtrans-66.6-31.7-177.7-179.259.9000112.3L322 F323 V346 L347 Y350 W385 F388 I397I319-L322 PolarHBondContact O-N 3.22Å; I319-F323 VanDerWaalsContact O-CB 3.22Å; I319-F323 WeakPolarHBondContact O-CB 3.29Å; I319-F323 PolarHBondContact O-N 2.86Å; I319-V346 HydrophobicContact CD1-CG1 3.77Å; I319-L347 HydrophobicContact CD1-CD2 4.46Å; I319-Y350 HydrophobicContact CD1-CG 4.45Å; I319-Y350 HydrophobicContact CG1-CD1 4.36Å; I319-Y350 HydrophobicContact CG1-CD2 4.11Å; I319-Y350 HydrophobicContact CG1-CE2 4.4Å; I319-Y350 HydrophobicContact CG1-CG 4.1Å; I319-Y350 HydrophobicContact CG2-CE2 4.19Å; I319-W385 HydrophobicContact CB-CE3 4.12Å; I319-W385 HydrophobicContact CB-CZ3 3.98Å; I319-W385 HydrophobicContact CD1-CE3 4.49Å; I319-W385 HydrophobicContact CD1-CH2 3.93Å; I319-W385 HydrophobicContact CD1-CZ3 3.82Å; I319-W385 HydrophobicContact CG1-CZ3 4.29Å; I319-F388 HydrophobicContact CG2-CE1 4.2Å; I319-F388 HydrophobicContact CG2-CE2 3.73Å; I319-F388 HydrophobicContact CG2-CZ 3.28Å; I319-I397 HydrophobicContact CG1-CG2 4.45Å; I319-I397 HydrophobicContact CG2-CG2 4.4Å
320D87.4Confident85.1Confident7 Ų726 Ų264%0.03715%0.148CC..Hα-helixtrans-65.1-38.6171.767.2-56.1000111.9C318 Y324 I397 R438C318-D320 VanDerWaalsContact C-N 3.31Å; C318-D320 WeakPolarHBondContact CB-OD1 3.48Å; C318-D320 PolarHBondContact O-N 2.97Å; D320-Y324 WeakPolarHBondContact O-CB 3.4Å; D320-Y324 PolarHBondContact O-N 2.76Å; D320-I397 HydrophobicContact CB-CD1 4Å; D320-R438 IonicContact OD2-CZ 3.71Å; D320-R438 IonicContact OD2-NE 3.43Å; D320-R438 PolarHBondContact OD2-NE 3.29Å; D320-R438 IonicContact OD2-NH2 3.68Å; D320-R438 PolarHBondContact OD2-NH2 3.08Å
321A88.4Confident85.5Confident3 Ų325 Ų253%0.02514%0.14CC..Hα-helixtrans-66.4-43.9172.600000112E309 C318 Y324 Y325E309-A321 HydrophobicContact CG-CB 4.04Å; C318-A321 HydrophobicContact CB-CB 3.72Å; C318-A321 WeakPolarHBondContact O-CB 3.26Å; C318-A321 PolarHBondContact O-N 3.43Å; A321-Y324 PolarHBondContact O-N 2.62Å; A321-Y325 HydrophobicContact CB-CE2 4.19Å; A321-Y325 WeakPolarHBondContact O-CD2 3.29Å; A321-Y325 PolarHBondContact O-N 3.36Å
322L89.6Confident85.9Confident1 Ų122.5 Ų22.51%0.00512%0.124CC..Hα-helixtrans-65.9-44.1-179.6-174.552.7000112.1A306 E309 A310 R317 C318 I319 Y326 V346 W385A306-L322 HydrophobicContact CB-CD1 4.17Å; A306-L322 WeakPolarHBondContact O-CD1 3.42Å; E309-L322 HydrophobicContact CB-CD1 4.2Å; E309-L322 HydrophobicContact CG-CB 3.88Å; E309-L322 HydrophobicContact CG-CD1 4.34Å; A310-L322 HydrophobicContact CB-CD1 3.97Å; A310-L322 HydrophobicContact CB-CD2 4.27Å; R317-L322 HydrophobicContact CG-CD2 4.41Å; C318-L322 PolarHBondContact O-N 3.48Å; I319-L322 PolarHBondContact O-N 3.22Å; L322-Y326 HydrophobicContact CD1-CD2 4.02Å; L322-Y326 HydrophobicContact CD1-CE2 3.45Å; L322-Y326 VanDerWaalsContact CD1-CE2 3.45Å; L322-Y326 HydrophobicContact CG-CD2 4.33Å; L322-Y326 HydrophobicContact CG-CE2 3.98Å; L322-Y326 VanDerWaalsContact O-CD2 3.28Å; L322-Y326 WeakPolarHBondContact O-CD2 3.41Å; L322-Y326 PolarHBondContact O-N 3.35Å; L322-V346 HydrophobicContact CD2-CG1 3.63Å; L322-V346 HydrophobicContact CD2-CG2 4.3Å; L322-V346 HydrophobicContact CG-CG1 4.09Å; L322-W385 HydrophobicContact CD2-CH2 4.28Å
323F92.9Very high86.3Confident0 Ų025.5 Ų25.50%014%0.141CC..Hα-helixtrans-61.5-51.3173.8-164.6169.5000109.8I319 Y325 Y326 I327 L343 L347 I397 I442I319-F323 VanDerWaalsContact O-CB 3.22Å; I319-F323 WeakPolarHBondContact O-CB 3.29Å; I319-F323 PolarHBondContact O-N 2.86Å; F323-Y325 PolarHBondContact O-N 3.47Å; F323-Y326 PolarHBondContact O-N 3.14Å; F323-I327 HydrophobicContact CD2-CD1 4.16Å; F323-I327 HydrophobicContact CD2-CG1 3.57Å; F323-I327 HydrophobicContact CE2-CD1 3.85Å; F323-I327 HydrophobicContact CE2-CG1 3.77Å; F323-I327 WeakPolarHBondContact O-CB 3.31Å; F323-I327 WeakPolarHBondContact O-CG1 3.09Å; F323-I327 PolarHBondContact O-N 3.49Å; F323-L343 HydrophobicContact CB-CD1 4.45Å; F323-L343 HydrophobicContact CD2-CD1 3.63Å; F323-L343 HydrophobicContact CD2-CD2 3.97Å; F323-L343 HydrophobicContact CD2-CG 4.37Å; F323-L343 HydrophobicContact CE2-CD1 4.19Å; F323-L343 HydrophobicContact CE2-CD2 4.02Å; F323-L343 HydrophobicContact CG-CD1 4.22Å; F323-L347 HydrophobicContact CD1-CD2 3.73Å; F323-L347 HydrophobicContact CD2-CD1 4.23Å; F323-L347 HydrophobicContact CD2-CD2 4.48Å; F323-L347 HydrophobicContact CE1-CD1 4.11Å; F323-L347 HydrophobicContact CE1-CD2 3.86Å; F323-L347 HydrophobicContact CE2-CD1 3.78Å; F323-L347 HydrophobicContact CG-CD2 4.06Å; F323-L347 HydrophobicContact CZ-CD1 3.71Å; F323-L347 HydrophobicContact CZ-CD2 4.3Å; F323-I397 HydrophobicContact CD1-CG2 4.44Å; F323-I442 HydrophobicContact CB-CD1 3.92Å; F323-I442 HydrophobicContact CD1-CD1 3.93Å; F323-I442 HydrophobicContact CD1-CG1 4.49Å; F323-I442 HydrophobicContact CD1-CG2 4.21Å; F323-I442 HydrophobicContact CD2-CD1 4.37Å; F323-I442 HydrophobicContact CD2-CG1 4.21Å; F323-I442 HydrophobicContact CD2-CG2 4.31Å; F323-I442 HydrophobicContact CE1-CG2 3.82Å; F323-I442 HydrophobicContact CE2-CG2 3.92Å; F323-I442 HydrophobicContact CG-CD1 3.8Å; F323-I442 HydrophobicContact CG-CG1 4.15Å; F323-I442 HydrophobicContact CG-CG2 4.46Å; F323-I442 HydrophobicContact CZ-CG2 3.67Å
324Y93.8Very high87.1Confident9 Ų922.6 Ų22.64%0.03512%0.121CC..Hα-helixtrans-54.9-46.2176.5165.3-103.8000113.9D320 A321 I327 R328 R438 C441D320-Y324 WeakPolarHBondContact O-CB 3.4Å; D320-Y324 PolarHBondContact O-N 2.76Å; A321-Y324 PolarHBondContact O-N 2.62Å; Y324-I327 PolarHBondContact O-N 3.32Å; Y324-R328 HydrophobicContact CD2-CG 3.99Å; Y324-R328 HydrophobicContact CE1-CG 4.08Å; Y324-R328 HydrophobicContact CE2-CG 3.49Å; Y324-R328 VanDerWaalsContact CE2-CG 3.49Å; Y324-R328 HydrophobicContact CG-CG 4.48Å; Y324-R328 PolarHBondContact O-N 2.96Å; Y324-R328 PolarHBondContact OH-NH1 3.46Å; Y324-R438 HydrophobicContact CD1-CG 3.66Å; Y324-R438 HydrophobicContact CD2-CB 4.09Å; Y324-R438 HydrophobicContact CD2-CG 3.78Å; Y324-R438 HydrophobicContact CE1-CG 4.13Å; Y324-R438 HydrophobicContact CE2-CG 4.24Å; Y324-R438 HydrophobicContact CG-CB 4Å; Y324-R438 HydrophobicContact CG-CG 3.44Å; Y324-R438 VanDerWaalsContact CG-CG 3.44Å; Y324-C441 HydrophobicContact CD2-CB 3.75Å; Y324-C441 HydrophobicContact CE2-CB 3.8Å
325Y92.1Very high88.2Confident9 Ų921.3 Ų21.34%0.03512%0.118CC..Hα-helixtrans-66.8-40.4-178-70.6-52000112.1F302 L305 E309 A321 F323 I327 R328 A329F302-Y325 WeakPolarHBondContact CB-O 3.43Å; F302-Y325 HydrophobicContact CD1-CD1 4.32Å; L305-Y325 HydrophobicContact CB-CD1 3.9Å; L305-Y325 HydrophobicContact CB-CD2 4.39Å; L305-Y325 HydrophobicContact CB-CE1 4.04Å; L305-Y325 HydrophobicContact CB-CG 4.1Å; L305-Y325 HydrophobicContact CD1-CD1 4.36Å; L305-Y325 HydrophobicContact CD1-CE1 4.09Å; E309-Y325 HydrophobicContact CB-CD2 4.05Å; E309-Y325 HydrophobicContact CB-CE2 4.21Å; E309-Y325 HydrophobicContact CG-CD2 4.37Å; E309-Y325 HydrophobicContact CG-CE2 4.44Å; A321-Y325 HydrophobicContact CB-CE2 4.19Å; A321-Y325 WeakPolarHBondContact O-CD2 3.29Å; A321-Y325 PolarHBondContact O-N 3.36Å; F323-Y325 PolarHBondContact O-N 3.47Å; Y325-I327 VanDerWaalsContact C-N 3.33Å; Y325-R328 PolarHBondContact O-N 3Å; Y325-A329 WeakPolarHBondContact O-CB 3.36Å; Y325-A329 PolarHBondContact O-N 2.86Å
326Y94.4Very high89.1Confident2 Ų217.4 Ų17.41%0.0089%0.092CC..Hα-helixtrans-67.1-34.8172.2-70.7-52.4000112.3A306 L322 F323 A329 L330 N342 L343 V346A306-Y326 HydrophobicContact CB-CD1 3.46Å; A306-Y326 VanDerWaalsContact CB-CD1 3.46Å; A306-Y326 HydrophobicContact CB-CD2 4.12Å; A306-Y326 HydrophobicContact CB-CE1 3.32Å; A306-Y326 HydrophobicContact CB-CE2 4.03Å; A306-Y326 HydrophobicContact CB-CG 3.86Å; L322-Y326 HydrophobicContact CD1-CD2 4.02Å; L322-Y326 HydrophobicContact CD1-CE2 3.45Å; L322-Y326 VanDerWaalsContact CD1-CE2 3.45Å; L322-Y326 HydrophobicContact CG-CD2 4.33Å; L322-Y326 HydrophobicContact CG-CE2 3.98Å; L322-Y326 VanDerWaalsContact O-CD2 3.28Å; L322-Y326 WeakPolarHBondContact O-CD2 3.41Å; L322-Y326 PolarHBondContact O-N 3.35Å; F323-Y326 PolarHBondContact O-N 3.14Å; Y326-A329 WeakPolarHBondContact O-CB 3.42Å; Y326-A329 PolarHBondContact O-N 3.17Å; Y326-L330 WeakPolarHBondContact O-CG 3.45Å; Y326-L330 PolarHBondContact O-N 2.93Å; Y326-N342 HydrophobicContact CD1-CB 4.34Å; Y326-N342 HydrophobicContact CE1-CB 3.63Å; Y326-N342 HydrophobicContact CE2-CB 4.23Å; Y326-L343 HydrophobicContact CD2-CB 3.99Å; Y326-L343 HydrophobicContact CD2-CD1 3.94Å; Y326-L343 HydrophobicContact CG-CB 4.04Å; Y326-L343 HydrophobicContact CG-CD1 4.45Å; Y326-V346 HydrophobicContact CE2-CG2 4.39Å
327I94.7Very high89.8Confident0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-65-45.9174.4-69.1-72.9000111.2F323 Y324 Y325 A329 L330 A331 L343 I442 Y445 F726F323-I327 HydrophobicContact CD2-CD1 4.16Å; F323-I327 HydrophobicContact CD2-CG1 3.57Å; F323-I327 HydrophobicContact CE2-CD1 3.85Å; F323-I327 HydrophobicContact CE2-CG1 3.77Å; F323-I327 WeakPolarHBondContact O-CB 3.31Å; F323-I327 WeakPolarHBondContact O-CG1 3.09Å; F323-I327 PolarHBondContact O-N 3.49Å; Y324-I327 PolarHBondContact O-N 3.32Å; Y325-I327 VanDerWaalsContact C-N 3.33Å; I327-A329 PolarHBondContact O-N 3.42Å; I327-L330 CarbonylContact O-C 3.5Å; I327-L330 PolarHBondContact O-N 3.34Å; I327-L330 VanDerWaalsContact O-N 3.07Å; I327-A331 WeakPolarHBondContact O-CB 3.07Å; I327-A331 PolarHBondContact O-N 3.05Å; I327-L343 HydrophobicContact CD1-CD2 3.83Å; I327-L343 HydrophobicContact CG1-CD2 4.05Å; I327-I442 HydrophobicContact CG1-CG1 4.39Å; I327-Y445 HydrophobicContact CD1-CD1 3.21Å; I327-Y445 HydrophobicContact CD1-CE1 3.45Å; I327-Y445 VanDerWaalsContact CD1-CE1 3.45Å; I327-Y445 HydrophobicContact CD1-CG 3.88Å; I327-Y445 HydrophobicContact CG1-CD1 4.47Å; I327-Y445 VanDerWaalsContact CG2-CB 3.48Å; I327-Y445 HydrophobicContact CG2-CD1 4.17Å; I327-Y445 HydrophobicContact CG2-CD2 4.28Å; I327-Y445 HydrophobicContact CG2-CG 3.72Å; I327-F726 HydrophobicContact CG2-CE2 4.43Å
328R93.2Very high89.8Confident1 Ų116.4 Ų16.40%0.00410%0.098CC..Hα-helixtrans-59-35.7171.6-71.5-63.6-62-95.412.6111.8F302 Y324 Y325 L330 A331 C332 V722 Q724F302-R328 HydrophobicContact CB-CB 3.87Å; F302-R328 HydrophobicContact CD1-CB 3.58Å; F302-R328 HydrophobicContact CD1-CG 4.15Å; F302-R328 HydrophobicContact CD2-CB 3.71Å; F302-R328 HydrophobicContact CE1-CB 3.98Å; F302-R328 HydrophobicContact CE1-CG 4.15Å; F302-R328 HydrophobicContact CE2-CB 4.08Å; F302-R328 HydrophobicContact CG-CB 3.44Å; F302-R328 VanDerWaalsContact CG-CB 3.44Å; F302-R328 HydrophobicContact CG-CG 4.45Å; F302-R328 HydrophobicContact CZ-CB 4.2Å; F302-R328 HydrophobicContact CZ-CG 4.44Å; Y324-R328 HydrophobicContact CD2-CG 3.99Å; Y324-R328 HydrophobicContact CE1-CG 4.08Å; Y324-R328 HydrophobicContact CE2-CG 3.49Å; Y324-R328 VanDerWaalsContact CE2-CG 3.49Å; Y324-R328 HydrophobicContact CG-CG 4.48Å; Y324-R328 PolarHBondContact O-N 2.96Å; Y324-R328 PolarHBondContact OH-NH1 3.46Å; Y325-R328 PolarHBondContact O-N 3Å; R328-L330 VanDerWaalsContact C-N 3.31Å; R328-L330 PolarHBondContact O-N 3.44Å; R328-A331 PolarHBondContact O-N 2.92Å; R328-C332 PolarHBondContact O-SG 3.31Å; R328-V722 PolarHBondContact NH1-O 3.1Å; R328-V722 PolarHBondContact NH2-O 3.36Å; R328-V722 VanDerWaalsContact NH2-O 3.08Å; R328-Q724 PolarHBondContact NH2-O 3.38Å
329A93.6Very high90Very high0 Ų014 Ų140%08%0.082CC..Hα-helixtrans-67.7-28.4175.900000113.7G299 F302 N303 Y325 Y326 I327 S335 F336 S339G299-A329 WeakPolarHBondContact CA-O 3.24Å; G299-A329 WeakPolarHBondContact O-CA 3.17Å; G299-A329 VanDerWaalsContact O-CB 3.3Å; G299-A329 WeakPolarHBondContact O-CB 3.28Å; F302-A329 HydrophobicContact CB-CB 3.89Å; N303-A329 HydrophobicContact CB-CB 4.12Å; Y325-A329 WeakPolarHBondContact O-CB 3.36Å; Y325-A329 PolarHBondContact O-N 2.86Å; Y326-A329 WeakPolarHBondContact O-CB 3.42Å; Y326-A329 PolarHBondContact O-N 3.17Å; I327-A329 PolarHBondContact O-N 3.42Å; A329-S335 CarbonylContact O-C 3.57Å; A329-S335 VanDerWaalsContact O-CA 3.32Å; A329-S335 WeakPolarHBondContact O-CA 3.29Å; A329-F336 HydrophobicContact CB-CB 4.44Å; A329-F336 PolarHBondContact O-N 2.99Å; A329-S339 WeakPolarHBondContact CB-OG 3.46Å
330L94Very high90.1Very high19 Ų1918.1 Ų18.110%0.09910%0.103CC..Hα-helixtrans-89.9-27.4175.8-65.8171.7000113.2Y326 I327 R328 S335 M340 L343 Y445Y326-L330 WeakPolarHBondContact O-CG 3.45Å; Y326-L330 PolarHBondContact O-N 2.93Å; I327-L330 CarbonylContact O-C 3.5Å; I327-L330 PolarHBondContact O-N 3.34Å; I327-L330 VanDerWaalsContact O-N 3.07Å; R328-L330 VanDerWaalsContact C-N 3.31Å; R328-L330 PolarHBondContact O-N 3.44Å; L330-S335 VanDerWaalsContact O-CB 3.28Å; L330-S335 WeakPolarHBondContact O-CB 3.19Å; L330-M340 HydrophobicContact CD1-CB 4.28Å; L330-M340 HydrophobicContact CD2-CB 4.03Å; L330-L343 HydrophobicContact CD1-CD2 4.36Å; L330-Y445 HydrophobicContact CB-CE2 4.03Å
331A92.3Very high90.2Very high5 Ų522.9 Ų22.94%0.04113%0.128CC..SBendtrans-94.817.9-172.500000114.6I327 R328 Y445 F726 Q727 P728I327-A331 WeakPolarHBondContact O-CB 3.07Å; I327-A331 PolarHBondContact O-N 3.05Å; R328-A331 PolarHBondContact O-N 2.92Å; A331-Y445 HydrophobicContact CB-CD2 3.69Å; A331-Y445 HydrophobicContact CB-CE2 4.23Å; A331-F726 HydrophobicContact CB-CD2 3.57Å; A331-F726 HydrophobicContact CB-CE2 3.45Å; A331-F726 VanDerWaalsContact CB-CE2 3.45Å; A331-Q727 WeakPolarHBondContact O-CB 3.22Å; A331-Q727 WeakPolarHBondContact O-CG 3.44Å; A331-Q727 PolarHBondContact O-N 3.37Å; A331-P728 HydrophobicContact CB-CG 4.24Å
332C89.3Confident90.1Very high6 Ų623.9 Ų23.94%0.04113%0.133CC..SBendtrans-100.9156.5173.9-81.70000110.8P296 D297 R328 H334 S335P296-C332 PolarHBondContact O-SG 3.47Å; P296-C332 VanDerWaalsContact O-SG 3.39Å; D297-C332 WeakPolarHBondContact O-CB 3.41Å; R328-C332 PolarHBondContact O-SG 3.31Å; C332-H334 PolarHBondContact O-N 3.37Å; C332-S335 PolarHBondContact O-N 3.05Å; C332-S335 VanDerWaalsContact O-N 3.17Å
333L86.7Confident90.2Very high84 Ų8423.8 Ų23.844%0.4413%0.133SC..THydrogen-bonded Turntrans-57.3-34.4178.5-178.366.2000112.6A197 D297A197-L333 HydrophobicContact CB-CD2 4.49Å; D297-L333 HydrophobicContact CB-CB 4.1Å; D297-L333 PolarHBondContact O-N 3.02Å
334H87.5Confident90.1Very high10 Ų1025.5 Ų25.55%0.04615%0.145CC..BIsolated β-bridgetrans-110.277.7167.8-50.6-24.9000108A197 P198 I200 H295 D297 G299 C332A197-H334 WeakPolarHBondContact CB-NE2 3.43Å; A197-H334 PolarHBondContact O-CE1 2.95Å; P198-H334 PolarHBondContact O-CD2 3.41Å; P198-H334 PolarHBondContact O-NE2 3.36Å; I200-H334 HydrophobicContact CB-CB 4.22Å; I200-H334 HydrophobicContact CD1-CB 4.45Å; I200-H334 HydrophobicContact CG1-CB 4.29Å; H295-H334 AromaticContact CE1-CD2 3.54Å; H295-H334 AromaticContact CE1-NE2 3.89Å; D297-H334 PolarHBondContact O-N 2.96Å; G299-H334 PolarHBondContact N-O 3.3Å; C332-H334 PolarHBondContact O-N 3.37Å
335S90.7Very high89.8Confident49 Ų4928.2 Ų28.234%0.34316%0.16SC..  trans-60.1158.2176.461.90000111.8A329 L330 C332 P337A329-S335 CarbonylContact O-C 3.57Å; A329-S335 VanDerWaalsContact O-CA 3.32Å; A329-S335 WeakPolarHBondContact O-CA 3.29Å; L330-S335 VanDerWaalsContact O-CB 3.28Å; L330-S335 WeakPolarHBondContact O-CB 3.19Å; C332-S335 PolarHBondContact O-N 3.05Å; C332-S335 VanDerWaalsContact O-N 3.17Å; S335-P337 WeakPolarHBondContact O-CD 3.35Å
336F88.6Confident89.6Confident13 Ų1328.3 Ų28.36%0.05716%0.161CC..  trans-111.787.6179.5-164.7-95.4000110.3S202 H300 N303 A329 A338 S339S202-F336 VanDerWaalsContact OG-CD2 3.23Å; S202-F336 WeakPolarHBondContact OG-CD2 3.3Å; S202-F336 WeakPolarHBondContact OG-CE2 3.35Å; S202-F336 WeakPolarHBondContact OG-CG 3.26Å; H300-F336 HydrophobicContact CB-CD2 3.93Å; H300-F336 HydrophobicContact CB-CE2 4.27Å; H300-F336 AromaticContact CD2-CD2 3.92Å; H300-F336 AromaticContact CD2-CE2 3.4Å; H300-F336 VanDerWaalsContact CD2-CE2 3.4Å; H300-F336 WeakPolarHBondContact CD2-CE2 3.31Å; H300-F336 AromaticContact CD2-CZ 3.95Å; H300-F336 AromaticContact CG-CE2 3.9Å; H300-F336 AromaticContact NE2-CE2 3.96Å; N303-F336 HydrophobicContact CB-CB 4.44Å; N303-F336 HydrophobicContact CB-CD1 3.57Å; N303-F336 HydrophobicContact CB-CE1 3.96Å; N303-F336 HydrophobicContact CB-CG 4.05Å; N303-F336 VanDerWaalsContact CG-CE1 3.41Å; N303-F336 WeakPolarHBondContact ND2-CE1 3.44Å; A329-F336 HydrophobicContact CB-CB 4.44Å; A329-F336 PolarHBondContact O-N 2.99Å; F336-A338 VanDerWaalsContact C-N 3.26Å; F336-A338 HydrophobicContact CD1-CB 4.17Å; F336-A338 HydrophobicContact CE1-CB 3.85Å; F336-A338 PolarHBondContact O-N 3.49Å; F336-S339 VanDerWaalsContact O-CB 3.25Å; F336-S339 WeakPolarHBondContact O-CB 3.21Å; F336-S339 PolarHBondContact O-N 2.85Å; F336-S339 PolarHBondContact O-OG 3.46Å
337P87.3Confident89.4Confident60 Ų6028.2 Ų28.239%0.3916%0.161SC..THydrogen-bonded Turntrans-41.5-41.9-174.4-35.632.7000116.9S202 S335 S339 M340S202-P337 WeakPolarHBondContact OG-CD 3.43Å; S335-P337 WeakPolarHBondContact O-CD 3.35Å; P337-S339 PolarHBondContact O-N 3.48Å; P337-S339 VanDerWaalsContact O-N 3.12Å; P337-M340 VanDerWaalsContact O-CB 3.29Å; P337-M340 WeakPolarHBondContact O-CB 3.44Å; P337-M340 PolarHBondContact O-N 3Å
338A79.5Confident89.1Confident13 Ų1331.2 Ų31.211%0.10718%0.176CC..Hα-helixtrans-62-21.3-179.500000114F336 M340 N341 N342 E1120F336-A338 VanDerWaalsContact C-N 3.26Å; F336-A338 HydrophobicContact CD1-CB 4.17Å; F336-A338 HydrophobicContact CE1-CB 3.85Å; F336-A338 PolarHBondContact O-N 3.49Å; A338-M340 PolarHBondContact O-N 3.26Å; A338-N341 PolarHBondContact O-N 3.42Å; A338-N342 PolarHBondContact O-N 3.1Å; A338-N342 VanDerWaalsContact O-N 3.13Å; A338-N342 PolarHBondContact O-ND2 3.26Å; A338-E1120 WeakPolarHBondContact CB-OE2 3.46Å
339S88.1Confident88.7Confident0 Ų032.8 Ų32.80%019%0.185CC..Hα-helixtrans-61.7-28.8171.7-62.70000113.2N303 A329 F336 P337 N342 L343N303-S339 WeakPolarHBondContact CB-OG 3.28Å; N303-S339 PolarHBondContact OD1-OG 3.28Å; A329-S339 WeakPolarHBondContact CB-OG 3.46Å; F336-S339 VanDerWaalsContact O-CB 3.25Å; F336-S339 WeakPolarHBondContact O-CB 3.21Å; F336-S339 PolarHBondContact O-N 2.85Å; F336-S339 PolarHBondContact O-OG 3.46Å; P337-S339 PolarHBondContact O-N 3.48Å; P337-S339 VanDerWaalsContact O-N 3.12Å; S339-N342 PolarHBondContact O-N 2.78Å; S339-L343 WeakPolarHBondContact O-CB 3.45Å; S339-L343 PolarHBondContact O-N 3.3Å
340M89.1Confident88.4Confident90 Ų9032.9 Ų32.944%0.44319%0.185SC..Hα-helixtrans-62.6-55.5176.3-178.8-177-76.600110.3L330 P337 A338 N342 L343 S344L330-M340 HydrophobicContact CD1-CB 4.28Å; L330-M340 HydrophobicContact CD2-CB 4.03Å; P337-M340 VanDerWaalsContact O-CB 3.29Å; P337-M340 WeakPolarHBondContact O-CB 3.44Å; P337-M340 PolarHBondContact O-N 3Å; A338-M340 PolarHBondContact O-N 3.26Å; M340-N342 VanDerWaalsContact C-N 3.32Å; M340-N342 PolarHBondContact O-N 3.21Å; M340-L343 PolarHBondContact O-N 3.49Å; M340-L343 VanDerWaalsContact O-N 3.15Å; M340-S344 PolarHBondContact O-N 3.45Å; M340-S344 PolarHBondContact O-OG 3.37Å; M340-S344 VanDerWaalsContact O-OG 3.08Å
341N87.9Confident87.9Confident106 Ų10632.6 Ų32.657%0.56718%0.183SC*.Hα-helixtrans-59.8-41.5177.7-73.2-43.8000112.2A338 N345A338-N341 PolarHBondContact O-N 3.42Å; N341-N345 PolarHBondContact O-N 3.17Å; N341-N345 PolarHBondContact O-ND2 3.21Å
342N86.1Confident87.3Confident24 Ų2437.2 Ų37.213%0.12820%0.202CC..Hα-helixtrans-64.1-41.2177-68-30.7000111.7Y326 A338 S339 M340 V346Y326-N342 HydrophobicContact CD1-CB 4.34Å; Y326-N342 HydrophobicContact CE1-CB 3.63Å; Y326-N342 HydrophobicContact CE2-CB 4.23Å; A338-N342 PolarHBondContact O-N 3.1Å; A338-N342 VanDerWaalsContact O-N 3.13Å; A338-N342 PolarHBondContact O-ND2 3.26Å; S339-N342 PolarHBondContact O-N 2.78Å; M340-N342 VanDerWaalsContact C-N 3.32Å; M340-N342 PolarHBondContact O-N 3.21Å; N342-V346 WeakPolarHBondContact O-CB 3.48Å; N342-V346 WeakPolarHBondContact O-CG2 3.23Å; N342-V346 PolarHBondContact O-N 2.71Å; N342-V346 VanDerWaalsContact O-N 3.1Å
343L92.2Very high86.8Confident0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-68.5-51.1179.2-179.156.9000112.3F323 Y326 I327 L330 S339 M340 N345 V346 L347 Y404F323-L343 HydrophobicContact CB-CD1 4.45Å; F323-L343 HydrophobicContact CD2-CD1 3.63Å; F323-L343 HydrophobicContact CD2-CD2 3.97Å; F323-L343 HydrophobicContact CD2-CG 4.37Å; F323-L343 HydrophobicContact CE2-CD1 4.19Å; F323-L343 HydrophobicContact CE2-CD2 4.02Å; F323-L343 HydrophobicContact CG-CD1 4.22Å; Y326-L343 HydrophobicContact CD2-CB 3.99Å; Y326-L343 HydrophobicContact CD2-CD1 3.94Å; Y326-L343 HydrophobicContact CG-CB 4.04Å; Y326-L343 HydrophobicContact CG-CD1 4.45Å; I327-L343 HydrophobicContact CD1-CD2 3.83Å; I327-L343 HydrophobicContact CG1-CD2 4.05Å; L330-L343 HydrophobicContact CD1-CD2 4.36Å; S339-L343 WeakPolarHBondContact O-CB 3.45Å; S339-L343 PolarHBondContact O-N 3.3Å; M340-L343 PolarHBondContact O-N 3.49Å; M340-L343 VanDerWaalsContact O-N 3.15Å; L343-N345 PolarHBondContact O-N 3.21Å; L343-V346 PolarHBondContact O-N 3.15Å; L343-V346 VanDerWaalsContact O-N 3.12Å; L343-L347 HydrophobicContact CD1-CD1 3.65Å; L343-L347 HydrophobicContact CD1-CD2 4.27Å; L343-L347 HydrophobicContact CD1-CG 3.72Å; L343-L347 HydrophobicContact CD2-CD1 4.49Å; L343-L347 HydrophobicContact CG-CD1 3.8Å; L343-L347 HydrophobicContact CG-CG 4.25Å; L343-L347 WeakPolarHBondContact O-CG 3.38Å; L343-L347 PolarHBondContact O-N 2.73Å; L343-Y404 HydrophobicContact CB-CE1 4.22Å; L343-Y404 HydrophobicContact CD2-CD1 4.42Å; L343-Y404 HydrophobicContact CD2-CD2 4.47Å; L343-Y404 HydrophobicContact CD2-CE1 3.84Å; L343-Y404 HydrophobicContact CD2-CE2 3.92Å; L343-Y404 HydrophobicContact CG-CD1 4.29Å; L343-Y404 HydrophobicContact CG-CE1 3.72Å
344S91.2Very high86.2Confident36 Ų3636.9 Ų36.925%0.25220%0.198SC..Hα-helixtrans-54.6-43.3179.1-53.80000111.3M340 L348 Y404 L405M340-S344 PolarHBondContact O-N 3.45Å; M340-S344 PolarHBondContact O-OG 3.37Å; M340-S344 VanDerWaalsContact O-OG 3.08Å; S344-L348 VanDerWaalsContact O-CB 3.22Å; S344-L348 WeakPolarHBondContact O-CB 3.25Å; S344-L348 PolarHBondContact O-N 3.03Å; S344-Y404 WeakPolarHBondContact OG-CE1 3.2Å; S344-L405 WeakPolarHBondContact O-CD2 3.41Å
345N88.1Confident85.4Confident66 Ų6639.5 Ų39.535%0.35321%0.21SC..Hα-helixtrans-70.8-37.9179.3-76.2-74.4000113.3N341 L343 L348 D349 L1116N341-N345 PolarHBondContact O-N 3.17Å; N341-N345 PolarHBondContact O-ND2 3.21Å; L343-N345 PolarHBondContact O-N 3.21Å; N345-L348 PolarHBondContact O-N 3.47Å; N345-D349 WeakPolarHBondContact O-CB 3.47Å; N345-D349 PolarHBondContact O-N 3.08Å; N345-D349 VanDerWaalsContact O-N 3.08Å; N345-L1116 HydrophobicContact CB-CD1 3.66Å; N345-L1116 HydrophobicContact CB-CD2 3.42Å; N345-L1116 VanDerWaalsContact CB-CD2 3.42Å; N345-L1116 HydrophobicContact CB-CG 4.04Å
346V87.4Confident84.2Confident11 Ų1139.4 Ų39.47%0.06721%0.206CC..Hα-helixtrans-64.8-43.1174.3160.70000111.4I319 L322 Y326 N342 L343 D349 Y350 W385I319-V346 HydrophobicContact CD1-CG1 3.77Å; L322-V346 HydrophobicContact CD2-CG1 3.63Å; L322-V346 HydrophobicContact CD2-CG2 4.3Å; L322-V346 HydrophobicContact CG-CG1 4.09Å; Y326-V346 HydrophobicContact CE2-CG2 4.39Å; N342-V346 WeakPolarHBondContact O-CB 3.48Å; N342-V346 WeakPolarHBondContact O-CG2 3.23Å; N342-V346 PolarHBondContact O-N 2.71Å; N342-V346 VanDerWaalsContact O-N 3.1Å; L343-V346 PolarHBondContact O-N 3.15Å; L343-V346 VanDerWaalsContact O-N 3.12Å; V346-D349 PolarHBondContact O-N 3.22Å; V346-Y350 WeakPolarHBondContact O-CB 3.4Å; V346-Y350 PolarHBondContact O-N 3.42Å; V346-W385 HydrophobicContact CG1-CH2 4.11Å
347L90.6Very high83Confident0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-68.9-35.4177.4-66.9177.2000111.6I319 F323 L343 Y350 Y351 A401 Y404 L405I319-L347 HydrophobicContact CD1-CD2 4.46Å; F323-L347 HydrophobicContact CD1-CD2 3.73Å; F323-L347 HydrophobicContact CD2-CD1 4.23Å; F323-L347 HydrophobicContact CD2-CD2 4.48Å; F323-L347 HydrophobicContact CE1-CD1 4.11Å; F323-L347 HydrophobicContact CE1-CD2 3.86Å; F323-L347 HydrophobicContact CE2-CD1 3.78Å; F323-L347 HydrophobicContact CG-CD2 4.06Å; F323-L347 HydrophobicContact CZ-CD1 3.71Å; F323-L347 HydrophobicContact CZ-CD2 4.3Å; L343-L347 HydrophobicContact CD1-CD1 3.65Å; L343-L347 HydrophobicContact CD1-CD2 4.27Å; L343-L347 HydrophobicContact CD1-CG 3.72Å; L343-L347 HydrophobicContact CD2-CD1 4.49Å; L343-L347 HydrophobicContact CG-CD1 3.8Å; L343-L347 HydrophobicContact CG-CG 4.25Å; L343-L347 WeakPolarHBondContact O-CG 3.38Å; L343-L347 PolarHBondContact O-N 2.73Å; L347-Y350 PolarHBondContact O-N 2.9Å; L347-Y351 WeakPolarHBondContact O-CB 3.33Å; L347-Y351 PolarHBondContact O-N 3.45Å; L347-A401 HydrophobicContact CB-CB 4.4Å; L347-A401 HydrophobicContact CD2-CB 3.99Å; L347-Y404 HydrophobicContact CD1-CD1 3.45Å; L347-Y404 VanDerWaalsContact CD1-CD1 3.45Å; L347-Y404 HydrophobicContact CD1-CE1 4.2Å; L347-Y404 HydrophobicContact CD1-CG 3.88Å; L347-L405 HydrophobicContact CB-CD1 4.17Å; L347-L405 HydrophobicContact CB-CD2 4.26Å; L347-L405 HydrophobicContact CB-CG 4.23Å
348L87.8Confident82Confident62 Ų6240.5 Ų40.533%0.32522%0.217SC..Hα-helixtrans-66-39175.8-171.165.8000112.3S344 N345 K352 L405S344-L348 VanDerWaalsContact O-CB 3.22Å; S344-L348 WeakPolarHBondContact O-CB 3.25Å; S344-L348 PolarHBondContact O-N 3.03Å; N345-L348 PolarHBondContact O-N 3.47Å; L348-K352 HydrophobicContact CD1-CD 4.26Å; L348-K352 HydrophobicContact CG-CD 4.17Å; L348-K352 WeakPolarHBondContact O-CB 3.46Å; L348-K352 VanDerWaalsContact O-CG 3.3Å; L348-K352 WeakPolarHBondContact O-CG 3.37Å; L348-K352 PolarHBondContact O-N 3.05Å; L348-K352 VanDerWaalsContact O-N 3.12Å; L348-L405 HydrophobicContact CB-CD1 4.49Å; L348-L405 HydrophobicContact CB-CD2 4.28Å; L348-L405 HydrophobicContact CD1-CD1 4.34Å
349D84.7Confident80.9Confident35 Ų3545.7 Ų45.719%0.18724%0.24CC..Hα-helixtrans-64.7-43.5173.1-174.434.2000111.5N345 V346 S353 R384N345-D349 WeakPolarHBondContact O-CB 3.47Å; N345-D349 PolarHBondContact O-N 3.08Å; N345-D349 VanDerWaalsContact O-N 3.08Å; V346-D349 PolarHBondContact O-N 3.22Å; D349-S353 PolarHBondContact O-N 3.48Å; D349-R384 IonicContact OD1-NH1 2.72Å; D349-R384 PolarHBondContact OD1-NH1 3.48Å; D349-R384 IonicContact OD2-CZ 2.65Å; D349-R384 IonicContact OD2-NH1 3.16Å; D349-R384 PolarHBondContact OD2-NH1 2.99Å; D349-R384 IonicContact OD2-NH2 3.96Å
350Y86.5Confident79.1Confident2 Ų248.4 Ų48.41%0.00825%0.251CS..Hα-helixtrans-65-50174.3175.3-109.5000112.8I319 V346 L347 S353 W385 F388 Q394 I397 Q398 A401I319-Y350 HydrophobicContact CD1-CG 4.45Å; I319-Y350 HydrophobicContact CG1-CD1 4.36Å; I319-Y350 HydrophobicContact CG1-CD2 4.11Å; I319-Y350 HydrophobicContact CG1-CE2 4.4Å; I319-Y350 HydrophobicContact CG1-CG 4.1Å; I319-Y350 HydrophobicContact CG2-CE2 4.19Å; V346-Y350 WeakPolarHBondContact O-CB 3.4Å; V346-Y350 PolarHBondContact O-N 3.42Å; L347-Y350 PolarHBondContact O-N 2.9Å; Y350-S353 WeakPolarHBondContact O-CB 3.41Å; Y350-S353 PolarHBondContact O-N 3.42Å; Y350-S353 PolarHBondContact O-OG 2.94Å; Y350-W385 HydrophobicContact CD2-CB 4.28Å; Y350-W385 AromaticContact CD2-CD2 3.95Å; Y350-W385 HydrophobicContact CD2-CD2 3.95Å; Y350-W385 HydrophobicContact CD2-CE3 4.44Å; Y350-W385 AromaticContact CD2-CG 3.82Å; Y350-W385 HydrophobicContact CD2-CG 3.82Å; Y350-F388 HydrophobicContact CE2-CE2 4.1Å; Y350-F388 VanDerWaalsContact OH-CE2 3.27Å; Y350-F388 WeakPolarHBondContact OH-CE2 3.49Å; Y350-Q394 WeakPolarHBondContact OH-CG 3.3Å; Y350-I397 HydrophobicContact CE1-CG2 3.92Å; Y350-Q398 HydrophobicContact CE1-CG 3.78Å; Y350-A401 HydrophobicContact CD1-CB 4.37Å
351Y83.6Confident77.4Confident12 Ų1251.2 Ų51.25%0.04726%0.261CS..Hα-helixtrans-63.5-47.9-175.3-170.3-102.8000111.9L347 S353 F354 E355 A401 A402 L405 K411 M415L347-Y351 WeakPolarHBondContact O-CB 3.33Å; L347-Y351 PolarHBondContact O-N 3.45Å; Y351-S353 VanDerWaalsContact C-N 3.27Å; Y351-S353 PolarHBondContact O-N 2.76Å; Y351-F354 PolarHBondContact O-N 2.9Å; Y351-E355 HydrophobicContact CD1-CG 3.98Å; Y351-E355 VanDerWaalsContact CE1-CD 3.41Å; Y351-E355 HydrophobicContact CE1-CG 3.81Å; Y351-E355 WeakPolarHBondContact CE1-OE1 3.49Å; Y351-E355 PolarHBondContact O-N 2.83Å; Y351-A401 HydrophobicContact CD2-CB 4.48Å; Y351-A402 HydrophobicContact CE2-CB 3.69Å; Y351-L405 HydrophobicContact CG-CD1 4.2Å; Y351-K411 VanDerWaalsContact OH-CE 3.24Å; Y351-K411 WeakPolarHBondContact OH-CE 3.35Å; Y351-K411 PolarHBondContact OH-NZ 2.71Å; Y351-M415 HydrophobicContact CE2-CE 4.17Å; Y351-M415 HydrophobicContact CE2-SD 4.23Å; Y351-M415 PolarHBondContact OH-SD 3.18Å
352K81.6Confident75.5Confident103 Ų10351.7 Ų51.745%0.44826%0.263SS..Hα-helixtrans-60.1-36176.8-74.5175.2175.8173.30112.7L348 F354 E355 L356L348-K352 HydrophobicContact CD1-CD 4.26Å; L348-K352 HydrophobicContact CG-CD 4.17Å; L348-K352 WeakPolarHBondContact O-CB 3.46Å; L348-K352 VanDerWaalsContact O-CG 3.3Å; L348-K352 WeakPolarHBondContact O-CG 3.37Å; L348-K352 PolarHBondContact O-N 3.05Å; L348-K352 VanDerWaalsContact O-N 3.12Å; K352-F354 PolarHBondContact O-N 3.3Å; K352-E355 PolarHBondContact O-N 2.97Å; K352-L356 WeakPolarHBondContact O-CB 3.36Å; K352-L356 WeakPolarHBondContact O-CD1 3.38Å; K352-L356 VanDerWaalsContact O-CG 3.26Å; K352-L356 WeakPolarHBondContact O-CG 3.34Å; K352-L356 PolarHBondContact O-N 3.27Å
353S77.9Confident73.7Confident12 Ų1253.2 Ų53.28%0.08427%0.273CS..Hα-helixtrans-60.8-27.5176.380.80000112.8D349 Y350 Y351 S357 S381D349-S353 PolarHBondContact O-N 3.48Å; Y350-S353 WeakPolarHBondContact O-CB 3.41Å; Y350-S353 PolarHBondContact O-N 3.42Å; Y350-S353 PolarHBondContact O-OG 2.94Å; Y351-S353 VanDerWaalsContact C-N 3.27Å; Y351-S353 PolarHBondContact O-N 2.76Å; S353-S357 PolarHBondContact O-N 2.84Å; S353-S381 WeakPolarHBondContact CB-O 3.46Å
354F73.5Confident71.5Confident71 Ų7159.1 Ų59.131%0.31131%0.305SS..Hα-helixtrans-88.5-39.8176.2-174.4-110.7000113.6Y351 K352 L356 S357 S358 Q398Y351-F354 PolarHBondContact O-N 2.9Å; K352-F354 PolarHBondContact O-N 3.3Å; F354-L356 VanDerWaalsContact C-N 3.28Å; F354-L356 PolarHBondContact O-N 3.35Å; F354-S357 WeakPolarHBondContact O-CA 3.09Å; F354-S357 VanDerWaalsContact O-CB 3.28Å; F354-S357 WeakPolarHBondContact O-CB 3.28Å; F354-S357 PolarHBondContact O-N 3.49Å; F354-S357 VanDerWaalsContact O-N 3.08Å; F354-S358 PolarHBondContact O-N 2.9Å; F354-Q398 HydrophobicContact CD1-CG 4.39Å
355E71Confident69.6Low64 Ų6463.8 Ų63.830%0.29933%0.327SS..Hα-helixtrans-56.1-45.3172.7-65.4-172.6114.900111.4Y351 K352 S357 S358 M359 K411Y351-E355 HydrophobicContact CD1-CG 3.98Å; Y351-E355 VanDerWaalsContact CE1-CD 3.41Å; Y351-E355 HydrophobicContact CE1-CG 3.81Å; Y351-E355 WeakPolarHBondContact CE1-OE1 3.49Å; Y351-E355 PolarHBondContact O-N 2.83Å; K352-E355 PolarHBondContact O-N 2.97Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 3.28Å; E355-S358 PolarHBondContact O-N 3.49Å; E355-S358 PolarHBondContact O-OG 2.85Å; E355-M359 WeakPolarHBondContact O-CG 3.4Å; E355-M359 PolarHBondContact O-N 3.44Å; E355-M359 VanDerWaalsContact O-N 3.12Å; E355-K411 IonicContact OE1-NZ 3.98Å; E355-K411 PolarHBondContact OE1-NZ 2.86Å
356L64.9Low67.6Low48 Ų4866.1 Ų66.125%0.25134%0.34SS..Hα-helixtrans-64-36.7176.7-67.9166.6000111.6K352 F354 Y360 V378K352-L356 WeakPolarHBondContact O-CB 3.36Å; K352-L356 WeakPolarHBondContact O-CD1 3.38Å; K352-L356 VanDerWaalsContact O-CG 3.26Å; K352-L356 WeakPolarHBondContact O-CG 3.34Å; K352-L356 PolarHBondContact O-N 3.27Å; F354-L356 VanDerWaalsContact C-N 3.28Å; F354-L356 PolarHBondContact O-N 3.35Å; L356-Y360 WeakPolarHBondContact O-CD2 3.44Å; L356-Y360 PolarHBondContact O-N 2.72Å; L356-V378 HydrophobicContact CB-CG1 3.85Å; L356-V378 HydrophobicContact CD1-CG1 4.13Å; L356-V378 HydrophobicContact CD1-CG2 4.27Å; L356-V378 HydrophobicContact CD2-CG1 4.08Å; L356-V378 HydrophobicContact CD2-CG2 4.1Å; L356-V378 HydrophobicContact CG-CG1 4.24Å
357S64.7Low65.3Low40 Ų4075.2 Ų75.228%0.2838%0.381SS..Hα-helixtrans-60.7-47.8174.2-169.70000111.9S353 F354 E355 M359 Y360 F361S353-S357 PolarHBondContact O-N 2.84Å; F354-S357 WeakPolarHBondContact O-CA 3.09Å; F354-S357 VanDerWaalsContact O-CB 3.28Å; F354-S357 WeakPolarHBondContact O-CB 3.28Å; F354-S357 PolarHBondContact O-N 3.49Å; F354-S357 VanDerWaalsContact O-N 3.08Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 3.28Å; S357-M359 PolarHBondContact O-N 3.16Å; S357-Y360 PolarHBondContact O-N 3.28Å; S357-F361 WeakPolarHBondContact O-CD2 3.45Å; S357-F361 PolarHBondContact O-N 3.06Å
358S65Low63.2Low56 Ų5682.9 Ų82.939%0.39242%0.417SS..Hα-helixtrans-67-34.8-178.571.50000112.9F354 E355 Y360 F361 N362F354-S358 PolarHBondContact O-N 2.9Å; E355-S358 PolarHBondContact O-N 3.49Å; E355-S358 PolarHBondContact O-OG 2.85Å; S358-Y360 PolarHBondContact O-N 3.03Å; S358-F361 PolarHBondContact O-N 2.84Å; S358-N362 PolarHBondContact O-N 3.01Å
359M58Low61.3Low122 Ų12289.8 Ų89.860%0.60144%0.444SS*.Hα-helixtrans-61.4-42.1172.7-67.1-175.295.800112.1E355 S357 F361 N362 V363E355-M359 WeakPolarHBondContact O-CG 3.4Å; E355-M359 PolarHBondContact O-N 3.44Å; E355-M359 VanDerWaalsContact O-N 3.12Å; S357-M359 PolarHBondContact O-N 3.16Å; M359-F361 PolarHBondContact O-N 3.46Å; M359-N362 PolarHBondContact O-N 3.46Å; M359-V363 WeakPolarHBondContact O-CG2 3.49Å; M359-V363 PolarHBondContact O-N 3.3Å
360Y49.6Very low59.4Low57 Ų5792 Ų9222%0.22446%0.455CS..Hα-helixtrans-69.3-33.5-178.6-85.6-117.2000112.9L356 S357 S358 N364 L370 T375 V378L356-Y360 WeakPolarHBondContact O-CD2 3.44Å; L356-Y360 PolarHBondContact O-N 2.72Å; S357-Y360 PolarHBondContact O-N 3.28Å; S358-Y360 PolarHBondContact O-N 3.03Å; Y360-N364 PolarHBondContact O-N 3.22Å; Y360-N364 VanDerWaalsContact O-N 3.15Å; Y360-N364 PolarHBondContact O-ND2 3.12Å; Y360-L370 HydrophobicContact CE2-CD2 4.17Å; Y360-L370 WeakPolarHBondContact OH-CD2 3.48Å; Y360-T375 HydrophobicContact CE1-CG2 4.25Å; Y360-T375 WeakPolarHBondContact OH-CA 3.46Å; Y360-T375 WeakPolarHBondContact OH-CG2 3.43Å; Y360-V378 HydrophobicContact CD2-CG1 4.32Å; Y360-V378 HydrophobicContact CE2-CB 4.47Å; Y360-V378 HydrophobicContact CE2-CG1 3.55Å
361F52.5Low57.7Low148 Ų14896.4 Ų96.465%0.64949%0.485SS*.Hα-helixtrans-65.9-37.7172.9-83.4-74.5000112.7S357 S358 M359S357-F361 WeakPolarHBondContact O-CD2 3.45Å; S357-F361 PolarHBondContact O-N 3.06Å; S358-F361 PolarHBondContact O-N 2.84Å; M359-F361 PolarHBondContact O-N 3.46Å
362N49.5Very low56.3Low116 Ų116100.7 Ų100.762%0.6251%0.512SS*.Hα-helixtrans-72.6-37.2175.9-78.7-29.1000113.1S358 M359 N365S358-N362 PolarHBondContact O-N 3.01Å; M359-N362 PolarHBondContact O-N 3.46Å; N362-N365 PolarHBondContact O-N 3.33Å
363V47.7Very low55Low57 Ų57100.8 Ų100.835%0.34552%0.517SS..Hα-helixtrans-66.7-35177172.50000111.7M359 N365 N366M359-V363 WeakPolarHBondContact O-CG2 3.49Å; M359-V363 PolarHBondContact O-N 3.3Å; V363-N365 PolarHBondContact O-N 3.27Å; V363-N366 CarbonylContact O-C 3.47Å; V363-N366 PolarHBondContact O-N 2.9Å
364N46.6Very low53.7Low124 Ų124103.1 Ų103.166%0.66353%0.534SS*.THydrogen-bonded Turntrans-63.2-11.9-179.6-77.4-28.3000115.1Y360Y360-N364 PolarHBondContact O-N 3.22Å; Y360-N364 VanDerWaalsContact O-N 3.15Å; Y360-N364 PolarHBondContact O-ND2 3.12Å
365N49.7Very low52.5Low134 Ų134101.2 Ų101.272%0.71753%0.528SS*.THydrogen-bonded Turntrans-88.5-11.3171.7-69.4-38.2000113.7N362 V363N362-N365 PolarHBondContact O-N 3.33Å; V363-N365 PolarHBondContact O-N 3.27Å
366N46.1Very low51.6Low115 Ų115103.6 Ų103.662%0.61554%0.537SS*.SBendtrans-125119.2-178.8-70.3-36.9000110V363 E368V363-N366 CarbonylContact O-C 3.47Å; V363-N366 PolarHBondContact O-N 2.9Å; N366-E368 PolarHBondContact O-N 3.45Å
367H39.2Very low50.9Low202 Ų202107.1 Ų107.194%0.93556%0.556SS**  trans-69.522.9-165.1-94.5-53.2000118
368E48.3Very low50.1Low160 Ų160106.5 Ų106.575%0.74855%0.551SS**  trans-81131177.2-65.8-165.7131.900112.6N366 L370N366-E368 PolarHBondContact O-N 3.45Å; E368-L370 PolarHBondContact O-N 2.97Å
369K45.8Very low49.3Very low207 Ų207108.4 Ų108.490%0.956%0.555SS**  trans-82.9111.8-177.7-69.6179.3178.2176.80111.4
370L46.8Very low49.1Very low81 Ų81106 Ų10642%0.42454%0.544SS..  trans-64.2146.4168-134.175.6000111.3Y360 E368 T372 T375Y360-L370 HydrophobicContact CE2-CD2 4.17Å; Y360-L370 WeakPolarHBondContact OH-CD2 3.48Å; E368-L370 PolarHBondContact O-N 2.97Å; L370-T372 PolarHBondContact O-N 3.13Å; L370-T375 HydrophobicContact CB-CG2 4.04Å; L370-T375 HydrophobicContact CD2-CG2 4.06Å
371P50.2Low49.1Very low96 Ų96104.7 Ų104.762%0.62354%0.543SS*.  trans-60.1132.7177.7-26.536.6000113.4D373 S374 T375P371-D373 VanDerWaalsContact C-N 3.25Å; P371-D373 PolarHBondContact O-N 3.34Å; P371-S374 PolarHBondContact O-OG 3.4Å; P371-T375 WeakPolarHBondContact O-CG2 3.5Å
372T54.4Low48.9Very low102 Ų10299.7 Ų99.763%0.62653%0.529SS*.THydrogen-bonded Turntrans-72.8-1.2-162.346.20000117.2L370 T375 K376L370-T372 PolarHBondContact O-N 3.13Å; T372-T375 PolarHBondContact O-OG1 3.38Å; T372-K376 VanDerWaalsContact O-CE 3.23Å; T372-K376 WeakPolarHBondContact O-CE 3.45Å
373D52.9Low49.2Very low104 Ų104101.2 Ų101.256%0.55653%0.53SS*.THydrogen-bonded Turntrans-108.3-36.3-177.9-66.9-54.2000112.9P371 T375 K376P371-D373 VanDerWaalsContact C-N 3.25Å; P371-D373 PolarHBondContact O-N 3.34Å; D373-T375 PolarHBondContact O-N 3.28Å; D373-K376 PolarHBondContact O-N 3.12Å; D373-K376 IonicContact OD1-NZ 3.16Å; D373-K376 PolarHBondContact OD1-NZ 3.28Å
374S50.9Low50Low62 Ų62100.5 Ų100.543%0.43452%0.521SS..Hα-helixtrans-65.8-28.9169.658.50000112P371 K376 V378P371-S374 PolarHBondContact O-OG 3.4Å; S374-K376 PolarHBondContact O-N 3.46Å; S374-V378 WeakPolarHBondContact O-CB 3.34Å; S374-V378 VanDerWaalsContact O-CG2 3.25Å; S374-V378 WeakPolarHBondContact O-CG2 3.42Å; S374-V378 PolarHBondContact O-N 3.47Å; S374-V378 VanDerWaalsContact O-N 3.08Å
375T49Very low51.1Low31 Ų3195.7 Ų95.719%0.1949%0.494CS..Hα-helixtrans-62.5-25.5175.759.70000113.4Y360 L370 P371 T372 D373 M379Y360-T375 HydrophobicContact CE1-CG2 4.25Å; Y360-T375 WeakPolarHBondContact OH-CA 3.46Å; Y360-T375 WeakPolarHBondContact OH-CG2 3.43Å; L370-T375 HydrophobicContact CB-CG2 4.04Å; L370-T375 HydrophobicContact CD2-CG2 4.06Å; P371-T375 WeakPolarHBondContact O-CG2 3.5Å; T372-T375 PolarHBondContact O-OG1 3.38Å; D373-T375 PolarHBondContact O-N 3.28Å; T375-M379 VanDerWaalsContact O-CB 3.23Å; T375-M379 WeakPolarHBondContact O-CB 3.44Å; T375-M379 VanDerWaalsContact O-CG 3.23Å; T375-M379 WeakPolarHBondContact O-CG 3.28Å; T375-M379 PolarHBondContact O-N 3.16Å
376K52.1Low51.8Low113 Ų11390.9 Ų90.949%0.49147%0.47SS..Hα-helixtrans-74.1-57.6179.9-65.4166.5-172.4158.70110.7T372 D373 S374 V378 M379 L380T372-K376 VanDerWaalsContact O-CE 3.23Å; T372-K376 WeakPolarHBondContact O-CE 3.45Å; D373-K376 PolarHBondContact O-N 3.12Å; D373-K376 IonicContact OD1-NZ 3.16Å; D373-K376 PolarHBondContact OD1-NZ 3.28Å; S374-K376 PolarHBondContact O-N 3.46Å; K376-V378 PolarHBondContact O-N 3.49Å; K376-M379 PolarHBondContact O-N 3.06Å; K376-M379 VanDerWaalsContact O-N 3.08Å; K376-L380 VanDerWaalsContact O-CG 3.31Å; K376-L380 WeakPolarHBondContact O-CG 3.22Å; K376-L380 PolarHBondContact O-N 3.03Å
377D49.9Very low52.6Low122 Ų12294.9 Ų94.965%0.65248%0.482SS*.Hα-helixtrans-59.3-37.4178.3-69.2-8.4000111.3L380 S381D377-L380 PolarHBondContact O-N 3.09Å; D377-S381 PolarHBondContact O-N 3.04Å
378V48.9Very low53.8Low27 Ų2787 Ų8716%0.16445%0.445CS..Hα-helixtrans-65-48.2172.9171.20000111.8L356 Y360 S374 K376 L380 S381 A382L356-V378 HydrophobicContact CB-CG1 3.85Å; L356-V378 HydrophobicContact CD1-CG1 4.13Å; L356-V378 HydrophobicContact CD1-CG2 4.27Å; L356-V378 HydrophobicContact CD2-CG1 4.08Å; L356-V378 HydrophobicContact CD2-CG2 4.1Å; L356-V378 HydrophobicContact CG-CG1 4.24Å; Y360-V378 HydrophobicContact CD2-CG1 4.32Å; Y360-V378 HydrophobicContact CE2-CB 4.47Å; Y360-V378 HydrophobicContact CE2-CG1 3.55Å; S374-V378 WeakPolarHBondContact O-CB 3.34Å; S374-V378 VanDerWaalsContact O-CG2 3.25Å; S374-V378 WeakPolarHBondContact O-CG2 3.42Å; S374-V378 PolarHBondContact O-N 3.47Å; S374-V378 VanDerWaalsContact O-N 3.08Å; K376-V378 PolarHBondContact O-N 3.49Å; V378-L380 VanDerWaalsContact C-N 3.26Å; V378-L380 PolarHBondContact O-N 2.97Å; V378-S381 PolarHBondContact O-N 3.42Å; V378-S381 PolarHBondContact O-OG 3.5Å; V378-A382 WeakPolarHBondContact O-CB 3.04Å; V378-A382 PolarHBondContact O-N 3.01Å
379M48.4Very low54.4Low97 Ų9786.5 Ų86.548%0.47845%0.453SS..Hα-helixtrans-62.8-30.8176.2-82-170.776.800113.4T375 K376 K383T375-M379 VanDerWaalsContact O-CB 3.23Å; T375-M379 WeakPolarHBondContact O-CB 3.44Å; T375-M379 VanDerWaalsContact O-CG 3.23Å; T375-M379 WeakPolarHBondContact O-CG 3.28Å; T375-M379 PolarHBondContact O-N 3.16Å; K376-M379 PolarHBondContact O-N 3.06Å; K376-M379 VanDerWaalsContact O-N 3.08Å; M379-K383 WeakPolarHBondContact O-CB 3.06Å; M379-K383 WeakPolarHBondContact O-CD 3.48Å; M379-K383 WeakPolarHBondContact O-CG 3.31Å; M379-K383 PolarHBondContact O-N 2.94Å
380L52.5Low55.8Low71 Ų7177.8 Ų77.837%0.37242%0.416SS..Hα-helixtrans-69.4-46.5174-66.6170.5000110.2K376 D377 V378 A382 K383 R384K376-L380 VanDerWaalsContact O-CG 3.31Å; K376-L380 WeakPolarHBondContact O-CG 3.22Å; K376-L380 PolarHBondContact O-N 3.03Å; D377-L380 PolarHBondContact O-N 3.09Å; V378-L380 VanDerWaalsContact C-N 3.26Å; V378-L380 PolarHBondContact O-N 2.97Å; L380-A382 PolarHBondContact O-N 3.33Å; L380-K383 PolarHBondContact O-N 2.91Å; L380-R384 PolarHBondContact O-N 2.79Å
381S49Very low57.3Low30 Ų3079.1 Ų79.121%0.2142%0.421CS..Hα-helixtrans-61.9-42.8175.774.20000113.4S353 D377 V378 K383 R384S353-S381 WeakPolarHBondContact CB-O 3.46Å; D377-S381 PolarHBondContact O-N 3.04Å; V378-S381 PolarHBondContact O-N 3.42Å; V378-S381 PolarHBondContact O-OG 3.5Å; S381-K383 VanDerWaalsContact C-N 3.26Å; S381-K383 PolarHBondContact O-N 3.15Å; S381-R384 WeakPolarHBondContact O-CB 3.26Å; S381-R384 PolarHBondContact O-N 3.03Å; S381-R384 VanDerWaalsContact O-N 3.09Å
382A49.8Very low58.8Low42 Ų4276.8 Ų76.835%0.34740%0.401SS..Hα-helixtrans-69.5-19.517900000113.6V378 L380V378-A382 WeakPolarHBondContact O-CB 3.04Å; V378-A382 PolarHBondContact O-N 3.01Å; L380-A382 PolarHBondContact O-N 3.33Å
383K55.4Low60.1Low149 Ų14972.1 Ų72.165%0.64837%0.372SS*.THydrogen-bonded Turntrans-89.5-2.9172.8-73.7173.6-179.21800113.5M379 L380 S381 W385M379-K383 WeakPolarHBondContact O-CB 3.06Å; M379-K383 WeakPolarHBondContact O-CD 3.48Å; M379-K383 WeakPolarHBondContact O-CG 3.31Å; M379-K383 PolarHBondContact O-N 2.94Å; L380-K383 PolarHBondContact O-N 2.91Å; S381-K383 VanDerWaalsContact C-N 3.26Å; S381-K383 PolarHBondContact O-N 3.15Å; K383-W385 PolarHBondContact O-N 2.98Å
384R63.6Low61.6Low41 Ų4168.7 Ų68.716%0.15535%0.353CS..SBendtrans-86.6-1.7-164.1-160.2154.8163.2-82.7-26.8115.2L314 D349 L380 S381 A1114L314-R384 HydrophobicContact CD1-CG 4.14Å; L314-R384 WeakPolarHBondContact CD1-O 3.11Å; L314-R384 VanDerWaalsContact CD2-O 3.25Å; L314-R384 WeakPolarHBondContact CD2-O 3.21Å; D349-R384 IonicContact OD1-NH1 2.72Å; D349-R384 PolarHBondContact OD1-NH1 3.48Å; D349-R384 IonicContact OD2-CZ 2.65Å; D349-R384 IonicContact OD2-NH1 3.16Å; D349-R384 PolarHBondContact OD2-NH1 2.99Å; D349-R384 IonicContact OD2-NH2 3.96Å; L380-R384 PolarHBondContact O-N 2.79Å; S381-R384 WeakPolarHBondContact O-CB 3.26Å; S381-R384 PolarHBondContact O-N 3.03Å; S381-R384 VanDerWaalsContact O-N 3.09Å; R384-A1114 VanDerWaalsContact NH2-CB 3.34Å
385W70.8Confident63.3Low24 Ų2468 Ų689%0.09135%0.346CS..SBendtrans-123.8143.4171.3-66.996.1000109.8R317 I319 L322 V346 Y350 K383R317-W385 HydrophobicContact CG-CZ3 4.16Å; I319-W385 HydrophobicContact CB-CE3 4.12Å; I319-W385 HydrophobicContact CB-CZ3 3.98Å; I319-W385 HydrophobicContact CD1-CE3 4.49Å; I319-W385 HydrophobicContact CD1-CH2 3.93Å; I319-W385 HydrophobicContact CD1-CZ3 3.82Å; I319-W385 HydrophobicContact CG1-CZ3 4.29Å; L322-W385 HydrophobicContact CD2-CH2 4.28Å; V346-W385 HydrophobicContact CG1-CH2 4.11Å; Y350-W385 HydrophobicContact CD2-CB 4.28Å; Y350-W385 AromaticContact CD2-CD2 3.95Å; Y350-W385 HydrophobicContact CD2-CD2 3.95Å; Y350-W385 HydrophobicContact CD2-CE3 4.44Å; Y350-W385 AromaticContact CD2-CG 3.82Å; Y350-W385 HydrophobicContact CD2-CG 3.82Å; K383-W385 PolarHBondContact O-N 2.98Å
386P64.8Low65.3Low33 Ų3366.7 Ų66.721%0.21434%0.338CS..PPolyproline II helixtrans-61.9141.8177.328.3-34.7000109.7P315 F388P315-P386 HydrophobicContact CB-CB 3.87Å; P386-F388 PolarHBondContact O-N 2.91Å
387K61.2Low67.1Low198 Ų19861.3 Ų61.386%0.86132%0.315SS*.PPolyproline II helixtrans-61.4125.5163.2-70-170.6175.4-170.50107.6
388F64.8Low68.9Low37 Ų3755.7 Ų55.716%0.16228%0.284CS..PPolyproline II helixtrans-60.2141.4169.1-73-114.2000108.5I319 Y350 P386 N390 I393 Q394 I397I319-F388 HydrophobicContact CG2-CE1 4.2Å; I319-F388 HydrophobicContact CG2-CE2 3.73Å; I319-F388 HydrophobicContact CG2-CZ 3.28Å; Y350-F388 HydrophobicContact CE2-CE2 4.1Å; Y350-F388 VanDerWaalsContact OH-CE2 3.27Å; Y350-F388 WeakPolarHBondContact OH-CE2 3.49Å; P386-F388 PolarHBondContact O-N 2.91Å; F388-N390 VanDerWaalsContact CB-O 3.3Å; F388-N390 WeakPolarHBondContact CB-O 3.26Å; F388-N390 PolarHBondContact O-N 3.22Å; F388-I393 HydrophobicContact CD1-CB 4Å; F388-I393 HydrophobicContact CD1-CG2 3.91Å; F388-I393 HydrophobicContact CE1-CB 4.23Å; F388-I393 HydrophobicContact CE1-CG2 3.68Å; F388-Q394 HydrophobicContact CB-CB 4.07Å; F388-Q394 HydrophobicContact CD1-CB 4.29Å; F388-Q394 HydrophobicContact CD2-CB 3.65Å; F388-Q394 HydrophobicContact CD2-CG 3.56Å; F388-Q394 HydrophobicContact CE2-CB 4.04Å; F388-Q394 HydrophobicContact CE2-CG 3.72Å; F388-Q394 HydrophobicContact CG-CB 3.77Å; F388-Q394 HydrophobicContact CG-CG 4.22Å; F388-Q394 HydrophobicContact CZ-CB 4.48Å; F388-Q394 HydrophobicContact CZ-CG 4.48Å; F388-I397 HydrophobicContact CE1-CG1 4.32Å; F388-I397 HydrophobicContact CZ-CB 4.28Å; F388-I397 HydrophobicContact CZ-CG1 4.37Å; F388-I397 HydrophobicContact CZ-CG2 4.31Å
389T62.3Low71Confident150 Ų15054.4 Ų54.492%0.9228%0.277SS*.SBendtrans-63-28.8167.445.50000111.5
390N74Confident73.2Confident23 Ų2349.8 Ų49.812%0.12325%0.254CS..  trans-118.9117.3179.4-174.5-63.5000111.4F388 Q392 I393 Q394 V429F388-N390 VanDerWaalsContact CB-O 3.3Å; F388-N390 WeakPolarHBondContact CB-O 3.26Å; F388-N390 PolarHBondContact O-N 3.22Å; N390-Q392 VanDerWaalsContact C-N 3.3Å; N390-Q392 PolarHBondContact ND2-OE1 3.25Å; N390-Q392 PolarHBondContact O-N 3.2Å; N390-Q392 WeakPolarHBondContact OD1-CA 3.17Å; N390-Q392 WeakPolarHBondContact OD1-CB 3.42Å; N390-Q392 PolarHBondContact OD1-N 3.33Å; N390-Q392 PolarHBondContact OD1-OE1 2.97Å; N390-I393 HydrophobicContact CB-CD1 3.77Å; N390-I393 HydrophobicContact CB-CG1 3.94Å; N390-I393 PolarHBondContact OD1-N 3.46Å; N390-I393 VanDerWaalsContact OD1-N 3.08Å; N390-Q394 PolarHBondContact O-N 3.26Å; N390-V429 VanDerWaalsContact ND2-CG1 3.32Å; N390-V429 WeakPolarHBondContact ND2-CG1 3.49Å
391Q78.4Confident75.1Confident110 Ų11046.4 Ų46.451%0.51424%0.236SC..Hα-helixtrans-67.6-26.6-177.7-168.659.961.800113.5Q394 T395Q391-Q394 WeakPolarHBondContact O-CB 3.49Å; Q391-Q394 PolarHBondContact O-N 2.86Å; Q391-T395 PolarHBondContact O-N 3.13Å; Q391-T395 VanDerWaalsContact O-N 3.12Å; Q391-T395 PolarHBondContact O-OG1 3Å
392Q82.8Confident77.1Confident46 Ų4645 Ų4522%0.21523%0.226CC..Hα-helixtrans-74.8-38.5-177.4-56.7150-45.900110.6N390 Q394 T395 L396 W426N390-Q392 VanDerWaalsContact C-N 3.3Å; N390-Q392 PolarHBondContact ND2-OE1 3.25Å; N390-Q392 PolarHBondContact O-N 3.2Å; N390-Q392 WeakPolarHBondContact OD1-CA 3.17Å; N390-Q392 WeakPolarHBondContact OD1-CB 3.42Å; N390-Q392 PolarHBondContact OD1-N 3.33Å; N390-Q392 PolarHBondContact OD1-OE1 2.97Å; Q392-Q394 VanDerWaalsContact C-N 3.29Å; Q392-Q394 PolarHBondContact O-N 3.24Å; Q392-T395 PolarHBondContact O-OG1 2.89Å; Q392-T395 VanDerWaalsContact O-OG1 3.1Å; Q392-L396 WeakPolarHBondContact O-CB 3.27Å; Q392-L396 PolarHBondContact O-N 3.38Å; Q392-L396 VanDerWaalsContact O-N 3.14Å; Q392-W426 HydrophobicContact CB-CD2 3.92Å; Q392-W426 HydrophobicContact CB-CE3 4.42Å; Q392-W426 HydrophobicContact CB-CG 4.38Å; Q392-W426 HydrophobicContact CB-CH2 4.31Å; Q392-W426 HydrophobicContact CB-CZ2 3.78Å; Q392-W426 HydrophobicContact CG-CD2 4.2Å; Q392-W426 HydrophobicContact CG-CG 4.14Å
393I81.5Confident79.1Confident5 Ų543 Ų433%0.02621%0.21CC..Hα-helixtrans-61.7-41.8168.1-51.2173.6000110F388 N390 T395 L396 I397 V429 L431 I439F388-I393 HydrophobicContact CD1-CB 4Å; F388-I393 HydrophobicContact CD1-CG2 3.91Å; F388-I393 HydrophobicContact CE1-CB 4.23Å; F388-I393 HydrophobicContact CE1-CG2 3.68Å; N390-I393 HydrophobicContact CB-CD1 3.77Å; N390-I393 HydrophobicContact CB-CG1 3.94Å; N390-I393 PolarHBondContact OD1-N 3.46Å; N390-I393 VanDerWaalsContact OD1-N 3.08Å; I393-T395 PolarHBondContact O-N 2.73Å; I393-L396 PolarHBondContact O-N 3.44Å; I393-I397 HydrophobicContact CG2-CG1 3.95Å; I393-I397 WeakPolarHBondContact O-CB 3.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.44Å; I393-I397 PolarHBondContact O-N 2.97Å; I393-V429 HydrophobicContact CG1-CG1 4.33Å; I393-L431 HydrophobicContact CD1-CD2 3.29Å; I393-L431 HydrophobicContact CG1-CD2 3.53Å; I393-I439 HydrophobicContact CG2-CD1 4.04Å
394Q83.1Confident80.9Confident31 Ų3137.1 Ų37.115%0.14518%0.184CC..Hα-helixtrans-60.7-47.4-177.4-171.9173.734.600111.8Y350 F388 N390 Q391 Q392 I397 Q398Y350-Q394 WeakPolarHBondContact OH-CG 3.3Å; F388-Q394 HydrophobicContact CB-CB 4.07Å; F388-Q394 HydrophobicContact CD1-CB 4.29Å; F388-Q394 HydrophobicContact CD2-CB 3.65Å; F388-Q394 HydrophobicContact CD2-CG 3.56Å; F388-Q394 HydrophobicContact CE2-CB 4.04Å; F388-Q394 HydrophobicContact CE2-CG 3.72Å; F388-Q394 HydrophobicContact CG-CB 3.77Å; F388-Q394 HydrophobicContact CG-CG 4.22Å; F388-Q394 HydrophobicContact CZ-CB 4.48Å; F388-Q394 HydrophobicContact CZ-CG 4.48Å; N390-Q394 PolarHBondContact O-N 3.26Å; Q391-Q394 WeakPolarHBondContact O-CB 3.49Å; Q391-Q394 PolarHBondContact O-N 2.86Å; Q392-Q394 VanDerWaalsContact C-N 3.29Å; Q392-Q394 PolarHBondContact O-N 3.24Å; Q394-I397 PolarHBondContact O-N 3.38Å; Q394-Q398 WeakPolarHBondContact O-CB 3.16Å; Q394-Q398 WeakPolarHBondContact O-CG 3.42Å; Q394-Q398 PolarHBondContact O-N 3.33Å
395T86.8Confident82.2Confident47 Ų4737.1 Ų37.129%0.28819%0.187SC..Hα-helixtrans-66.6-37.2178.252.30000112.1Q391 Q392 I393 Q398 F399Q391-T395 PolarHBondContact O-N 3.13Å; Q391-T395 VanDerWaalsContact O-N 3.12Å; Q391-T395 PolarHBondContact O-OG1 3Å; Q392-T395 PolarHBondContact O-OG1 2.89Å; Q392-T395 VanDerWaalsContact O-OG1 3.1Å; I393-T395 PolarHBondContact O-N 2.73Å; T395-Q398 WeakPolarHBondContact O-CB 3.32Å; T395-Q398 PolarHBondContact O-N 2.9Å; T395-F399 PolarHBondContact O-N 3.39Å
396L90.8Very high82.7Confident5 Ų540.2 Ų40.23%0.02620%0.202CC..Hα-helixtrans-63.6-46.7174.9-172.161.4000112.6Q392 I393 Q398 F399 Y400 L419 W426 I439 L484Q392-L396 WeakPolarHBondContact O-CB 3.27Å; Q392-L396 PolarHBondContact O-N 3.38Å; Q392-L396 VanDerWaalsContact O-N 3.14Å; I393-L396 PolarHBondContact O-N 3.44Å; L396-Q398 VanDerWaalsContact C-N 3.3Å; L396-Q398 PolarHBondContact O-N 3.17Å; L396-F399 PolarHBondContact O-N 3.39Å; L396-Y400 HydrophobicContact CD1-CE1 4.45Å; L396-Y400 HydrophobicContact CD1-CE2 3.9Å; L396-Y400 HydrophobicContact CD2-CE2 4.11Å; L396-Y400 HydrophobicContact CG-CD2 4.21Å; L396-Y400 HydrophobicContact CG-CE2 3.59Å; L396-Y400 WeakPolarHBondContact O-CD2 3.37Å; L396-Y400 PolarHBondContact O-N 2.93Å; L396-L419 HydrophobicContact CD1-CD2 4.04Å; L396-W426 HydrophobicContact CB-CH2 4.11Å; L396-W426 HydrophobicContact CD1-CH2 4.46Å; L396-W426 HydrophobicContact CD2-CH2 4.2Å; L396-W426 HydrophobicContact CD2-CZ3 4.39Å; L396-W426 HydrophobicContact CG-CH2 4.49Å; L396-I439 HydrophobicContact CD2-CG2 3.68Å; L396-L484 HydrophobicContact CD1-CD1 3.97Å; L396-L484 HydrophobicContact CD1-CD2 3.95Å
397I90.3Very high83.5Confident0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-66.2-32.8176.2-66.2-69.2000111.2I319 D320 F323 Y350 F388 I393 Q394 Y400 A401 I439 I442I319-I397 HydrophobicContact CG1-CG2 4.45Å; I319-I397 HydrophobicContact CG2-CG2 4.4Å; D320-I397 HydrophobicContact CB-CD1 4Å; F323-I397 HydrophobicContact CD1-CG2 4.44Å; Y350-I397 HydrophobicContact CE1-CG2 3.92Å; F388-I397 HydrophobicContact CE1-CG1 4.32Å; F388-I397 HydrophobicContact CZ-CB 4.28Å; F388-I397 HydrophobicContact CZ-CG1 4.37Å; F388-I397 HydrophobicContact CZ-CG2 4.31Å; I393-I397 HydrophobicContact CG2-CG1 3.95Å; I393-I397 WeakPolarHBondContact O-CB 3.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.44Å; I393-I397 PolarHBondContact O-N 2.97Å; Q394-I397 PolarHBondContact O-N 3.38Å; I397-Y400 HydrophobicContact CD1-CD2 4.44Å; I397-A401 VanDerWaalsContact O-CB 3.28Å; I397-A401 WeakPolarHBondContact O-CB 3.49Å; I397-A401 PolarHBondContact O-N 3.37Å; I397-I439 HydrophobicContact CD1-CG1 4.49Å; I397-I442 HydrophobicContact CD1-CD1 4.12Å
398Q88.7Confident84.4Confident3 Ų333.9 Ų33.91%0.01418%0.176CC..Hα-helixtrans-67.4-38.8172.4-75163.1-9.800112.6Y350 F354 Q394 T395 L396 A401 A402 M415Y350-Q398 HydrophobicContact CE1-CG 3.78Å; F354-Q398 HydrophobicContact CD1-CG 4.39Å; Q394-Q398 WeakPolarHBondContact O-CB 3.16Å; Q394-Q398 WeakPolarHBondContact O-CG 3.42Å; Q394-Q398 PolarHBondContact O-N 3.33Å; T395-Q398 WeakPolarHBondContact O-CB 3.32Å; T395-Q398 PolarHBondContact O-N 2.9Å; L396-Q398 VanDerWaalsContact C-N 3.3Å; L396-Q398 PolarHBondContact O-N 3.17Å; Q398-A401 PolarHBondContact O-N 2.87Å; Q398-A402 WeakPolarHBondContact O-CB 3.43Å; Q398-A402 PolarHBondContact O-N 3.42Å; Q398-M415 HydrophobicContact CB-CE 4.22Å
399F92.4Very high85.3Confident1 Ų132.7 Ų32.70%0.00417%0.172CC..Hα-helixtrans-65.6-46.7175.1-179.6-109000111.7T395 L396 A401 A402 L403 M415 A416 L419 L480 L484T395-F399 PolarHBondContact O-N 3.39Å; L396-F399 PolarHBondContact O-N 3.39Å; F399-A401 VanDerWaalsContact C-N 3.31Å; F399-A401 PolarHBondContact O-N 2.9Å; F399-A402 WeakPolarHBondContact O-CB 3.44Å; F399-A402 PolarHBondContact O-N 2.94Å; F399-L403 HydrophobicContact CD1-CD1 3.93Å; F399-L403 HydrophobicContact CE1-CD1 3.45Å; F399-L403 VanDerWaalsContact CE1-CD1 3.45Å; F399-L403 HydrophobicContact CE1-CG 4.31Å; F399-L403 HydrophobicContact CE2-CD1 4.45Å; F399-L403 HydrophobicContact CZ-CD1 3.73Å; F399-L403 HydrophobicContact CZ-CD2 4.49Å; F399-L403 HydrophobicContact CZ-CG 4.18Å; F399-L403 PolarHBondContact O-N 3.47Å; F399-M415 HydrophobicContact CD2-CB 4.04Å; F399-A416 HydrophobicContact CE2-CB 3.86Å; F399-A416 HydrophobicContact CZ-CB 4.15Å; F399-L419 HydrophobicContact CB-CD2 3.97Å; F399-L419 HydrophobicContact CD1-CD2 3.72Å; F399-L419 HydrophobicContact CD2-CD2 4.49Å; F399-L419 HydrophobicContact CE1-CD2 4.36Å; F399-L419 HydrophobicContact CG-CD2 3.8Å; F399-L480 HydrophobicContact CE2-CD1 4.46Å; F399-L480 HydrophobicContact CZ-CB 4.01Å; F399-L480 HydrophobicContact CZ-CD1 4.3Å; F399-L484 HydrophobicContact CD1-CD2 3.87Å; F399-L484 HydrophobicContact CE1-CD2 3.79Å
400Y94.6Very high86.3Confident0 Ų029.3 Ų29.30%015%0.151CC..Hα-helixtrans-61.4-36.6172.6-66.5-38.7000113.2L396 I397 Y404 I439 I442 H443 L446 L481 L484L396-Y400 HydrophobicContact CD1-CE1 4.45Å; L396-Y400 HydrophobicContact CD1-CE2 3.9Å; L396-Y400 HydrophobicContact CD2-CE2 4.11Å; L396-Y400 HydrophobicContact CG-CD2 4.21Å; L396-Y400 HydrophobicContact CG-CE2 3.59Å; L396-Y400 WeakPolarHBondContact O-CD2 3.37Å; L396-Y400 PolarHBondContact O-N 2.93Å; I397-Y400 HydrophobicContact CD1-CD2 4.44Å; Y400-Y404 WeakPolarHBondContact O-CB 3.3Å; Y400-Y404 PolarHBondContact O-N 2.86Å; Y400-I439 HydrophobicContact CE2-CG2 4.26Å; Y400-I442 HydrophobicContact CD1-CG2 4.48Å; Y400-I442 HydrophobicContact CD2-CB 4.48Å; Y400-I442 HydrophobicContact CD2-CG2 3.71Å; Y400-I442 HydrophobicContact CE2-CG2 4.33Å; Y400-I442 HydrophobicContact CG-CG2 3.81Å; Y400-H443 HydrophobicContact CE1-CB 4.2Å; Y400-H443 AromaticContact CE1-ND1 3.61Å; Y400-H443 AromaticContact CZ-ND1 3.87Å; Y400-H443 WeakPolarHBondContact OH-CB 3.16Å; Y400-H443 PolarHBondContact OH-ND1 3.48Å; Y400-L446 HydrophobicContact CD1-CD1 3.51Å; Y400-L446 HydrophobicContact CE1-CD1 4.44Å; Y400-L446 HydrophobicContact CG-CD1 3.84Å; Y400-L481 HydrophobicContact CE1-CD2 4.28Å; Y400-L484 HydrophobicContact CD1-CD2 4.44Å; Y400-L484 HydrophobicContact CE1-CD2 3.5Å; Y400-L484 VanDerWaalsContact CE1-CD2 3.5Å
401A92.7Very high86.8Confident0 Ų031.2 Ų31.20%016%0.158CC..Hα-helixtrans-66.1-41173.800000111.9L347 Y350 Y351 I397 Q398 F399 Y404 L405L347-A401 HydrophobicContact CB-CB 4.4Å; L347-A401 HydrophobicContact CD2-CB 3.99Å; Y350-A401 HydrophobicContact CD1-CB 4.37Å; Y351-A401 HydrophobicContact CD2-CB 4.48Å; I397-A401 VanDerWaalsContact O-CB 3.28Å; I397-A401 WeakPolarHBondContact O-CB 3.49Å; I397-A401 PolarHBondContact O-N 3.37Å; Q398-A401 PolarHBondContact O-N 2.87Å; F399-A401 VanDerWaalsContact C-N 3.31Å; F399-A401 PolarHBondContact O-N 2.9Å; A401-Y404 PolarHBondContact O-N 2.98Å; A401-L405 VanDerWaalsContact O-CB 3.32Å; A401-L405 WeakPolarHBondContact O-CB 3.4Å; A401-L405 WeakPolarHBondContact O-CG 3.4Å; A401-L405 PolarHBondContact O-N 3.49Å
402A91.3Very high87.2Confident0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-62.6-43.1176.700000112Y351 Q398 F399 L405 H406 T407 L412 M415Y351-A402 HydrophobicContact CE2-CB 3.69Å; Q398-A402 WeakPolarHBondContact O-CB 3.43Å; Q398-A402 PolarHBondContact O-N 3.42Å; F399-A402 WeakPolarHBondContact O-CB 3.44Å; F399-A402 PolarHBondContact O-N 2.94Å; A402-L405 PolarHBondContact O-N 2.89Å; A402-H406 PolarHBondContact O-N 3.26Å; A402-T407 WeakPolarHBondContact CA-OG1 3.28Å; A402-T407 VanDerWaalsContact O-CB 3.28Å; A402-T407 WeakPolarHBondContact O-CB 3.36Å; A402-T407 PolarHBondContact O-N 3.13Å; A402-T407 PolarHBondContact O-OG1 2.91Å; A402-L412 HydrophobicContact CB-CD2 3.63Å; A402-M415 HydrophobicContact CB-CE 4.11Å; A402-M415 HydrophobicContact CB-SD 3.89Å
403L91.8Very high87.3Confident0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-61-54.9174.4-76.5168.1000111.2F399 L405 H406 L412 Y450 L481F399-L403 HydrophobicContact CD1-CD1 3.93Å; F399-L403 HydrophobicContact CE1-CD1 3.45Å; F399-L403 VanDerWaalsContact CE1-CD1 3.45Å; F399-L403 HydrophobicContact CE1-CG 4.31Å; F399-L403 HydrophobicContact CE2-CD1 4.45Å; F399-L403 HydrophobicContact CZ-CD1 3.73Å; F399-L403 HydrophobicContact CZ-CD2 4.49Å; F399-L403 HydrophobicContact CZ-CG 4.18Å; F399-L403 PolarHBondContact O-N 3.47Å; L403-L405 PolarHBondContact O-N 3.18Å; L403-L405 VanDerWaalsContact O-N 3.15Å; L403-H406 PolarHBondContact O-N 3.4Å; L403-L412 HydrophobicContact CD2-CD1 3.97Å; L403-L412 HydrophobicContact CD2-CD2 4.03Å; L403-L412 HydrophobicContact CG-CD2 4.1Å; L403-Y450 HydrophobicContact CB-CE2 4.42Å; L403-Y450 HydrophobicContact CD2-CE2 4.47Å; L403-Y450 PolarHBondContact O-OH 2.96Å; L403-L481 HydrophobicContact CD1-CD1 4.16Å; L403-L481 HydrophobicContact CD1-CD2 3.75Å; L403-L481 HydrophobicContact CD1-CG 3.88Å
404Y92Very high87.5Confident26 Ų2630.5 Ų30.510%0.10215%0.153CC..Hα-helixtrans-60.9-27.8-178.9-170.7-94000113.7L343 S344 L347 Y400 A401 H406 Y445 L446L343-Y404 HydrophobicContact CB-CE1 4.22Å; L343-Y404 HydrophobicContact CD2-CD1 4.42Å; L343-Y404 HydrophobicContact CD2-CD2 4.47Å; L343-Y404 HydrophobicContact CD2-CE1 3.84Å; L343-Y404 HydrophobicContact CD2-CE2 3.92Å; L343-Y404 HydrophobicContact CG-CD1 4.29Å; L343-Y404 HydrophobicContact CG-CE1 3.72Å; S344-Y404 WeakPolarHBondContact OG-CE1 3.2Å; L347-Y404 HydrophobicContact CD1-CD1 3.45Å; L347-Y404 VanDerWaalsContact CD1-CD1 3.45Å; L347-Y404 HydrophobicContact CD1-CE1 4.2Å; L347-Y404 HydrophobicContact CD1-CG 3.88Å; Y400-Y404 WeakPolarHBondContact O-CB 3.3Å; Y400-Y404 PolarHBondContact O-N 2.86Å; A401-Y404 PolarHBondContact O-N 2.98Å; Y404-H406 VanDerWaalsContact C-N 3.3Å; Y404-H406 PolarHBondContact O-CD2 3.26Å; Y404-Y445 HydrophobicContact CE2-CE1 4.17Å; Y404-L446 HydrophobicContact CD2-CD2 3.86Å; Y404-L446 HydrophobicContact CG-CD2 4.45Å
405L90.2Very high87.8Confident41 Ų4130.8 Ų30.822%0.21516%0.155CC..THydrogen-bonded Turntrans-85.75.4176.3-67.5173.6000113.9S344 L347 L348 Y351 A401 A402 L403 T407S344-L405 WeakPolarHBondContact O-CD2 3.41Å; L347-L405 HydrophobicContact CB-CD1 4.17Å; L347-L405 HydrophobicContact CB-CD2 4.26Å; L347-L405 HydrophobicContact CB-CG 4.23Å; L348-L405 HydrophobicContact CB-CD1 4.49Å; L348-L405 HydrophobicContact CB-CD2 4.28Å; L348-L405 HydrophobicContact CD1-CD1 4.34Å; Y351-L405 HydrophobicContact CG-CD1 4.2Å; A401-L405 VanDerWaalsContact O-CB 3.32Å; A401-L405 WeakPolarHBondContact O-CB 3.4Å; A401-L405 WeakPolarHBondContact O-CG 3.4Å; A401-L405 PolarHBondContact O-N 3.49Å; A402-L405 PolarHBondContact O-N 2.89Å; L403-L405 PolarHBondContact O-N 3.18Å; L403-L405 VanDerWaalsContact O-N 3.15Å; L405-T407 VanDerWaalsContact C-N 3.34Å; L405-T407 PolarHBondContact O-N 3.12Å
406H82.4Confident87.8Confident88 Ų8828.5 Ų28.541%0.40714%0.141SC..THydrogen-bonded Turntrans50.952.9-176.7-65.3-100.2000111.9A402 L403 Y404 E473 H474A402-H406 PolarHBondContact O-N 3.26Å; L403-H406 PolarHBondContact O-N 3.4Å; Y404-H406 VanDerWaalsContact C-N 3.3Å; Y404-H406 PolarHBondContact O-CD2 3.26Å; H406-E473 IonicContact ND1-OE2 3.72Å; H406-H474 AromaticContact CE1-CE1 3.94Å
407T80.7Confident87.5Confident16 Ų1629.5 Ų29.510%0.09815%0.146CC..  trans-67.5144.8176-57.50000110.5A402 L405 K411 L412A402-T407 WeakPolarHBondContact CA-OG1 3.28Å; A402-T407 VanDerWaalsContact O-CB 3.28Å; A402-T407 WeakPolarHBondContact O-CB 3.36Å; A402-T407 PolarHBondContact O-N 3.13Å; A402-T407 PolarHBondContact O-OG1 2.91Å; L405-T407 VanDerWaalsContact C-N 3.34Å; L405-T407 PolarHBondContact O-N 3.12Å; T407-K411 HydrophobicContact CG2-CB 4.14Å; T407-K411 HydrophobicContact CG2-CD 3.71Å; T407-K411 HydrophobicContact CG2-CG 4.12Å; T407-L412 WeakPolarHBondContact O-CD1 3.28Å; T407-L412 WeakPolarHBondContact O-CG 3.24Å
408D81.5Confident87.3Confident83 Ų8334.3 Ų34.344%0.44417%0.172SC..  trans-34.9124.9172.9156.345.5000113.2V410 K411 L412D408-V410 PolarHBondContact O-N 3.44Å; D408-V410 VanDerWaalsContact O-N 3.16Å; D408-V410 PolarHBondContact OD1-N 3.32Å; D408-K411 HydrophobicContact CB-CB 4.26Å; D408-K411 WeakPolarHBondContact O-CA 3.32Å; D408-K411 WeakPolarHBondContact O-CB 3.45Å; D408-K411 PolarHBondContact O-N 3.17Å; D408-K411 WeakPolarHBondContact OD2-CB 3.49Å; D408-K411 PolarHBondContact OD2-N 3.2Å; D408-K411 VanDerWaalsContact OD2-N 3.09Å; D408-L412 PolarHBondContact O-N 2.89Å
409P83.1Confident87.3Confident12 Ų1234.5 Ų34.58%0.07817%0.174CC..Hα-helixtrans-50.2-39.7178.7-30.336.3000114.1K411 L412 I413 E473 T476P409-K411 PolarHBondContact O-N 3.43Å; P409-L412 PolarHBondContact O-N 3.15Å; P409-I413 WeakPolarHBondContact O-CB 3.43Å; P409-I413 WeakPolarHBondContact O-CD1 3.47Å; P409-I413 VanDerWaalsContact O-CG1 3.22Å; P409-I413 WeakPolarHBondContact O-CG1 3.4Å; P409-I413 PolarHBondContact O-N 2.95Å; P409-E473 HydrophobicContact CG-CB 4.42Å; P409-E473 HydrophobicContact CG-CG 3.57Å; P409-T476 HydrophobicContact CB-CG2 4.29Å
410V82.3Confident87Confident78 Ų7834.8 Ų34.847%0.47318%0.175SC..Hα-helixtrans-67-30.3-178.1-176.90000111.4D408 K414D408-V410 PolarHBondContact O-N 3.44Å; D408-V410 VanDerWaalsContact O-N 3.16Å; D408-V410 PolarHBondContact OD1-N 3.32Å; V410-K414 WeakPolarHBondContact O-CD 3.08Å; V410-K414 WeakPolarHBondContact O-CG 3.44Å; V410-K414 PolarHBondContact O-N 3.46Å
411K85.5Confident86.4Confident64 Ų6441 Ų4128%0.27820%0.204SC..Hα-helixtrans-82.7-37.1174-171.9178.7176.7-148.50112.4Y351 E355 T407 D408 P409 I413 K414 M415Y351-K411 VanDerWaalsContact OH-CE 3.24Å; Y351-K411 WeakPolarHBondContact OH-CE 3.35Å; Y351-K411 PolarHBondContact OH-NZ 2.71Å; E355-K411 IonicContact OE1-NZ 3.98Å; E355-K411 PolarHBondContact OE1-NZ 2.86Å; T407-K411 HydrophobicContact CG2-CB 4.14Å; T407-K411 HydrophobicContact CG2-CD 3.71Å; T407-K411 HydrophobicContact CG2-CG 4.12Å; D408-K411 HydrophobicContact CB-CB 4.26Å; D408-K411 WeakPolarHBondContact O-CA 3.32Å; D408-K411 WeakPolarHBondContact O-CB 3.45Å; D408-K411 PolarHBondContact O-N 3.17Å; D408-K411 WeakPolarHBondContact OD2-CB 3.49Å; D408-K411 PolarHBondContact OD2-N 3.2Å; D408-K411 VanDerWaalsContact OD2-N 3.09Å; P409-K411 PolarHBondContact O-N 3.43Å; K411-I413 VanDerWaalsContact C-N 3.34Å; K411-K414 PolarHBondContact O-N 3.37Å; K411-M415 WeakPolarHBondContact O-CG 3.32Å; K411-M415 PolarHBondContact O-N 2.92Å
412L86.3Confident85.9Confident1 Ų145.4 Ų45.41%0.00523%0.227CC..Hα-helixtrans-59.1-44.7171.5-75.3176.3000111.8A402 L403 T407 D408 P409 K414 M415 A416 L480A402-L412 HydrophobicContact CB-CD2 3.63Å; L403-L412 HydrophobicContact CD2-CD1 3.97Å; L403-L412 HydrophobicContact CD2-CD2 4.03Å; L403-L412 HydrophobicContact CG-CD2 4.1Å; T407-L412 WeakPolarHBondContact O-CD1 3.28Å; T407-L412 WeakPolarHBondContact O-CG 3.24Å; D408-L412 PolarHBondContact O-N 2.89Å; P409-L412 PolarHBondContact O-N 3.15Å; L412-K414 PolarHBondContact O-N 3.23Å; L412-M415 PolarHBondContact O-N 3.35Å; L412-A416 WeakPolarHBondContact O-CB 3.45Å; L412-A416 PolarHBondContact O-N 3.4Å; L412-L480 HydrophobicContact CB-CD1 4.2Å
413I85.1Confident85.4Confident20 Ų2045.7 Ų45.710%0.10323%0.229CC..Hα-helixtrans-60.7-45.8177-68.3159.1000110.5P409 K411 M415 A416 D417 M470 T476 L480 F837P409-I413 WeakPolarHBondContact O-CB 3.43Å; P409-I413 WeakPolarHBondContact O-CD1 3.47Å; P409-I413 VanDerWaalsContact O-CG1 3.22Å; P409-I413 WeakPolarHBondContact O-CG1 3.4Å; P409-I413 PolarHBondContact O-N 2.95Å; K411-I413 VanDerWaalsContact C-N 3.34Å; I413-M415 PolarHBondContact O-N 2.92Å; I413-A416 CarbonylContact O-C 3.59Å; I413-A416 WeakPolarHBondContact O-CA 3.35Å; I413-A416 WeakPolarHBondContact O-CB 3.44Å; I413-A416 PolarHBondContact O-N 3.01Å; I413-D417 PolarHBondContact O-N 2.74Å; I413-M470 HydrophobicContact CD1-CE 3.43Å; I413-M470 VanDerWaalsContact CD1-CE 3.43Å; I413-M470 HydrophobicContact CD1-SD 3.86Å; I413-T476 HydrophobicContact CD1-CG2 4.03Å; I413-T476 HydrophobicContact CG1-CG2 3.87Å; I413-L480 HydrophobicContact CG1-CD1 4.31Å; I413-F837 HydrophobicContact CD1-CE2 4.43Å; I413-F837 HydrophobicContact CG1-CE2 4.24Å; I413-F837 HydrophobicContact CG1-CZ 4.32Å; I413-F837 HydrophobicContact CG2-CE2 3.86Å
414K86.3Confident84.3Confident124 Ų12450.3 Ų50.354%0.53925%0.253SS..Hα-helixtrans-61.2-42.3175.7-70.5167-172.9170.10112.7V410 K411 L412 A416 D417 D418V410-K414 WeakPolarHBondContact O-CD 3.08Å; V410-K414 WeakPolarHBondContact O-CG 3.44Å; V410-K414 PolarHBondContact O-N 3.46Å; K411-K414 PolarHBondContact O-N 3.37Å; L412-K414 PolarHBondContact O-N 3.23Å; K414-A416 PolarHBondContact O-N 3.32Å; K414-D417 WeakPolarHBondContact O-CB 3.32Å; K414-D417 PolarHBondContact O-N 2.93Å; K414-D418 PolarHBondContact O-N 2.97Å
415M88.3Confident83.3Confident37 Ų3754.1 Ų54.118%0.18228%0.276CS..Hα-helixtrans-65.3-27.5175-69.9-175.667.500112.3Y351 Q398 F399 A402 K411 L412 I413 L419Y351-M415 HydrophobicContact CE2-CE 4.17Å; Y351-M415 HydrophobicContact CE2-SD 4.23Å; Y351-M415 PolarHBondContact OH-SD 3.18Å; Q398-M415 HydrophobicContact CB-CE 4.22Å; F399-M415 HydrophobicContact CD2-CB 4.04Å; A402-M415 HydrophobicContact CB-CE 4.11Å; A402-M415 HydrophobicContact CB-SD 3.89Å; K411-M415 WeakPolarHBondContact O-CG 3.32Å; K411-M415 PolarHBondContact O-N 2.92Å; L412-M415 PolarHBondContact O-N 3.35Å; I413-M415 PolarHBondContact O-N 2.92Å; M415-L419 WeakPolarHBondContact O-CB 3.4Å; M415-L419 PolarHBondContact O-N 3.01Å
416A87.7Confident82.5Confident0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-79.2-40.1173.100000113F399 L412 I413 K414 D418 L419 F420 L480 L833F399-A416 HydrophobicContact CE2-CB 3.86Å; F399-A416 HydrophobicContact CZ-CB 4.15Å; L412-A416 WeakPolarHBondContact O-CB 3.45Å; L412-A416 PolarHBondContact O-N 3.4Å; I413-A416 CarbonylContact O-C 3.59Å; I413-A416 WeakPolarHBondContact O-CA 3.35Å; I413-A416 WeakPolarHBondContact O-CB 3.44Å; I413-A416 PolarHBondContact O-N 3.01Å; K414-A416 PolarHBondContact O-N 3.32Å; A416-D418 VanDerWaalsContact C-N 3.35Å; A416-D418 PolarHBondContact O-N 3.09Å; A416-L419 PolarHBondContact O-N 3.12Å; A416-F420 HydrophobicContact CB-CD2 4.38Å; A416-F420 HydrophobicContact CB-CE2 3.94Å; A416-F420 HydrophobicContact CB-CZ 4.08Å; A416-F420 WeakPolarHBondContact O-CB 3.22Å; A416-F420 WeakPolarHBondContact O-CD2 3.37Å; A416-F420 WeakPolarHBondContact O-CG 3.48Å; A416-F420 PolarHBondContact O-N 2.92Å; A416-L480 HydrophobicContact CB-CD1 4.04Å; A416-L480 HydrophobicContact CB-CD2 3.69Å; A416-L480 HydrophobicContact CB-CG 4.35Å; A416-L833 HydrophobicContact CB-CD1 3.92Å
417D84.4Confident81.5Confident25 Ų2555.6 Ų55.613%0.13429%0.286CS..Hα-helixtrans-50.7-57.1169.5-74.98.7000108.8I413 K414 L419 F420 E421 L833 K834I413-D417 PolarHBondContact O-N 2.74Å; K414-D417 WeakPolarHBondContact O-CB 3.32Å; K414-D417 PolarHBondContact O-N 2.93Å; D417-L419 PolarHBondContact O-N 3.04Å; D417-F420 PolarHBondContact O-N 2.82Å; D417-E421 WeakPolarHBondContact O-CB 3.47Å; D417-E421 PolarHBondContact O-N 3.12Å; D417-L833 VanDerWaalsContact OD1-CB 3.32Å; D417-L833 WeakPolarHBondContact OD1-CB 3.49Å; D417-L833 WeakPolarHBondContact OD1-CD1 3.32Å; D417-K834 IonicContact OD2-NZ 3.94Å
418D85.6Confident80.6Confident102 Ų10259.5 Ų59.555%0.54530%0.299SS..Hα-helixtrans-59.6-42.5179.5-69.6-23.8000111.9K414 A416 N422K414-D418 PolarHBondContact O-N 2.97Å; A416-D418 VanDerWaalsContact C-N 3.35Å; A416-D418 PolarHBondContact O-N 3.09Å; D418-N422 WeakPolarHBondContact O-CB 3.35Å; D418-N422 PolarHBondContact O-N 3.4Å; D418-N422 PolarHBondContact O-ND2 3.49Å
419L88.8Confident79.6Confident7 Ų756.3 Ų56.34%0.03728%0.282CS..Hα-helixtrans-67.2-48.4-179.4-179.864.1000111.7L396 F399 M415 A416 D417 N422 M423 W426 L484L396-L419 HydrophobicContact CD1-CD2 4.04Å; F399-L419 HydrophobicContact CB-CD2 3.97Å; F399-L419 HydrophobicContact CD1-CD2 3.72Å; F399-L419 HydrophobicContact CD2-CD2 4.49Å; F399-L419 HydrophobicContact CE1-CD2 4.36Å; F399-L419 HydrophobicContact CG-CD2 3.8Å; M415-L419 WeakPolarHBondContact O-CB 3.4Å; M415-L419 PolarHBondContact O-N 3.01Å; A416-L419 PolarHBondContact O-N 3.12Å; D417-L419 PolarHBondContact O-N 3.04Å; L419-N422 PolarHBondContact O-N 2.82Å; L419-M423 HydrophobicContact CD1-CG 4.25Å; L419-M423 HydrophobicContact CD1-SD 4.4Å; L419-M423 HydrophobicContact CG-CG 4.33Å; L419-M423 HydrophobicContact CG-SD 4.11Å; L419-M423 WeakPolarHBondContact O-CB 3.36Å; L419-M423 VanDerWaalsContact O-CG 3.32Å; L419-M423 WeakPolarHBondContact O-CG 3.3Å; L419-M423 PolarHBondContact O-N 2.83Å; L419-W426 HydrophobicContact CD1-CH2 4.06Å; L419-W426 HydrophobicContact CD1-CZ2 3.69Å; L419-L484 HydrophobicContact CD2-CD1 4.24Å
420F86.4Confident78.7Confident6 Ų663.6 Ų63.63%0.02632%0.315CS..Hα-helixtrans-73-35.6-174.1-61.4-17.5000112.5A416 D417 N422 M423 N424 L480 C483 L484 Y487 L833A416-F420 HydrophobicContact CB-CD2 4.38Å; A416-F420 HydrophobicContact CB-CE2 3.94Å; A416-F420 HydrophobicContact CB-CZ 4.08Å; A416-F420 WeakPolarHBondContact O-CB 3.22Å; A416-F420 WeakPolarHBondContact O-CD2 3.37Å; A416-F420 WeakPolarHBondContact O-CG 3.48Å; A416-F420 PolarHBondContact O-N 2.92Å; D417-F420 PolarHBondContact O-N 2.82Å; F420-N422 VanDerWaalsContact C-N 3.31Å; F420-N422 PolarHBondContact O-N 2.86Å; F420-M423 HydrophobicContact CD1-SD 4.31Å; F420-M423 PolarHBondContact O-N 2.93Å; F420-N424 PolarHBondContact O-ND2 3.33Å; F420-L480 HydrophobicContact CE2-CD2 4.33Å; F420-C483 HydrophobicContact CD2-CB 4.46Å; F420-C483 HydrophobicContact CE2-CB 3.47Å; F420-C483 VanDerWaalsContact CE2-CB 3.47Å; F420-C483 HydrophobicContact CZ-CB 3.55Å; F420-L484 HydrophobicContact CE1-CB 3.93Å; F420-L484 HydrophobicContact CE1-CD1 4.1Å; F420-L484 HydrophobicContact CZ-CB 4.18Å; F420-Y487 HydrophobicContact CB-CD2 4.37Å; F420-Y487 HydrophobicContact CB-CE1 4.12Å; F420-Y487 HydrophobicContact CB-CE2 3.92Å; F420-Y487 AromaticContact CD1-CD2 3.86Å; F420-Y487 HydrophobicContact CD1-CD2 3.86Å; F420-Y487 HydrophobicContact CD1-CE2 4.17Å; F420-Y487 HydrophobicContact CD1-CG 4.23Å; F420-Y487 HydrophobicContact CD2-CD2 4.22Å; F420-Y487 AromaticContact CD2-CE2 3.79Å; F420-Y487 HydrophobicContact CD2-CE2 3.79Å; F420-Y487 HydrophobicContact CE1-CD2 4.21Å; F420-Y487 HydrophobicContact CE2-CE2 4.36Å; F420-Y487 AromaticContact CG-CD2 3.89Å; F420-Y487 HydrophobicContact CG-CD2 3.89Å; F420-Y487 AromaticContact CG-CE2 3.69Å; F420-Y487 HydrophobicContact CG-CE2 3.69Å; F420-Y487 HydrophobicContact CG-CG 4.47Å; F420-L833 HydrophobicContact CD2-CD1 3.77Å; F420-L833 HydrophobicContact CD2-CG 4.22Å; F420-L833 HydrophobicContact CE2-CD1 3.87Å; F420-L833 HydrophobicContact CE2-CD2 4.5Å; F420-L833 HydrophobicContact CE2-CG 4.47Å
421E82.3Confident78Confident131 Ų13160.9 Ų60.961%0.61230%0.298SS*.Hα-helixtrans-61.4-41.7171.1-173172162.400111D417 N425D417-E421 WeakPolarHBondContact O-CB 3.47Å; D417-E421 PolarHBondContact O-N 3.12Å; E421-N425 PolarHBondContact O-ND2 3.21Å
422N81.1Confident77.2Confident92 Ų9260.6 Ų60.649%0.49230%0.299SS..Hα-helixtrans-71.2-37.3175.5-80.7-75.3000113.2D418 L419 F420 N424 N425 W426D418-N422 WeakPolarHBondContact O-CB 3.35Å; D418-N422 PolarHBondContact O-N 3.4Å; D418-N422 PolarHBondContact O-ND2 3.49Å; L419-N422 PolarHBondContact O-N 2.82Å; F420-N422 VanDerWaalsContact C-N 3.31Å; F420-N422 PolarHBondContact O-N 2.86Å; N422-N424 VanDerWaalsContact C-N 3.27Å; N422-N424 PolarHBondContact O-N 3.32Å; N422-N425 WeakPolarHBondContact O-CA 3.19Å; N422-N425 WeakPolarHBondContact O-CB 3.44Å; N422-N425 PolarHBondContact O-N 2.93Å; N422-W426 PolarHBondContact O-NE1 3.39Å
423M81.2Confident76.4Confident6 Ų661.2 Ų61.23%0.0330%0.302CS..Hα-helixtrans-59.4-33.7-177.2-83.5-173.28100113.6L419 F420 N425 W426 L484 Y487 L488L419-M423 HydrophobicContact CD1-CG 4.25Å; L419-M423 HydrophobicContact CD1-SD 4.4Å; L419-M423 HydrophobicContact CG-CG 4.33Å; L419-M423 HydrophobicContact CG-SD 4.11Å; L419-M423 WeakPolarHBondContact O-CB 3.36Å; L419-M423 VanDerWaalsContact O-CG 3.32Å; L419-M423 WeakPolarHBondContact O-CG 3.3Å; L419-M423 PolarHBondContact O-N 2.83Å; F420-M423 HydrophobicContact CD1-SD 4.31Å; F420-M423 PolarHBondContact O-N 2.93Å; M423-N425 PolarHBondContact O-N 3.1Å; M423-N425 VanDerWaalsContact O-N 3.11Å; M423-W426 HydrophobicContact CB-CD2 4.38Å; M423-W426 HydrophobicContact CE-CE3 4.19Å; M423-W426 HydrophobicContact CE-CH2 4.25Å; M423-W426 HydrophobicContact CE-CZ3 3.86Å; M423-W426 HydrophobicContact CG-CD2 3.82Å; M423-W426 HydrophobicContact CG-CE3 4.01Å; M423-W426 HydrophobicContact CG-CH2 3.69Å; M423-W426 HydrophobicContact CG-CZ2 3.48Å; M423-W426 VanDerWaalsContact CG-CZ2 3.48Å; M423-W426 HydrophobicContact CG-CZ3 3.96Å; M423-W426 WeakPolarHBondContact O-CB 3.4Å; M423-W426 PolarHBondContact O-N 3.1Å; M423-W426 VanDerWaalsContact O-N 3.13Å; M423-W426 HydrophobicContact SD-CH2 4.13Å; M423-W426 HydrophobicContact SD-CZ2 4.44Å; M423-W426 HydrophobicContact SD-CZ3 4.33Å; M423-L484 HydrophobicContact CE-CD1 3.96Å; M423-L484 HydrophobicContact SD-CD1 3.53Å; M423-L484 VanDerWaalsContact SD-CD1 3.53Å; M423-Y487 HydrophobicContact CB-CD1 4.28Å; M423-L488 HydrophobicContact CE-CD2 3.9Å; M423-L488 HydrophobicContact CE-CG 4.16Å
424N70.2Confident75.9Confident97 Ų9760.8 Ų60.852%0.51930%0.299SS..THydrogen-bonded Turntrans-59.3-22.2173-65.8-42.2000113.2F420 N422F420-N424 PolarHBondContact O-ND2 3.33Å; N422-N424 VanDerWaalsContact C-N 3.27Å; N422-N424 PolarHBondContact O-N 3.32Å
425N70.3Confident75.6Confident107 Ų10757 Ų5757%0.57228%0.284SS*.THydrogen-bonded Turntrans-104.29.9-178.6-64.4-69.5000113.4E421 N422 M423 N427E421-N425 PolarHBondContact O-ND2 3.21Å; N422-N425 WeakPolarHBondContact O-CA 3.19Å; N422-N425 WeakPolarHBondContact O-CB 3.44Å; N422-N425 PolarHBondContact O-N 2.93Å; M423-N425 PolarHBondContact O-N 3.1Å; M423-N425 VanDerWaalsContact O-N 3.11Å; N425-N427 PolarHBondContact O-N 3.5Å
426W73Confident75.4Confident16 Ų1655.6 Ų55.66%0.06128%0.277CS..  trans-75.561.6-178.6-74.714.9000113.9Q392 L396 L419 N422 M423 R428 V429 W491Q392-W426 HydrophobicContact CB-CD2 3.92Å; Q392-W426 HydrophobicContact CB-CE3 4.42Å; Q392-W426 HydrophobicContact CB-CG 4.38Å; Q392-W426 HydrophobicContact CB-CH2 4.31Å; Q392-W426 HydrophobicContact CB-CZ2 3.78Å; Q392-W426 HydrophobicContact CG-CD2 4.2Å; Q392-W426 HydrophobicContact CG-CG 4.14Å; L396-W426 HydrophobicContact CB-CH2 4.11Å; L396-W426 HydrophobicContact CD1-CH2 4.46Å; L396-W426 HydrophobicContact CD2-CH2 4.2Å; L396-W426 HydrophobicContact CD2-CZ3 4.39Å; L396-W426 HydrophobicContact CG-CH2 4.49Å; L419-W426 HydrophobicContact CD1-CH2 4.06Å; L419-W426 HydrophobicContact CD1-CZ2 3.69Å; N422-W426 PolarHBondContact O-NE1 3.39Å; M423-W426 HydrophobicContact CB-CD2 4.38Å; M423-W426 HydrophobicContact CE-CE3 4.19Å; M423-W426 HydrophobicContact CE-CH2 4.25Å; M423-W426 HydrophobicContact CE-CZ3 3.86Å; M423-W426 HydrophobicContact CG-CD2 3.82Å; M423-W426 HydrophobicContact CG-CE3 4.01Å; M423-W426 HydrophobicContact CG-CH2 3.69Å; M423-W426 HydrophobicContact CG-CZ2 3.48Å; M423-W426 VanDerWaalsContact CG-CZ2 3.48Å; M423-W426 HydrophobicContact CG-CZ3 3.96Å; M423-W426 WeakPolarHBondContact O-CB 3.4Å; M423-W426 PolarHBondContact O-N 3.1Å; M423-W426 VanDerWaalsContact O-N 3.13Å; M423-W426 HydrophobicContact SD-CH2 4.13Å; M423-W426 HydrophobicContact SD-CZ2 4.44Å; M423-W426 HydrophobicContact SD-CZ3 4.33Å; W426-R428 PolarHBondContact O-N 3.22Å; W426-V429 HydrophobicContact CB-CG2 3.85Å; W426-V429 HydrophobicContact CD2-CG2 4.18Å; W426-V429 HydrophobicContact CE3-CG2 3.91Å; W426-V429 HydrophobicContact CG-CG2 4.19Å; W426-W491 HydrophobicContact CB-CG 4.47Å; W426-W491 HydrophobicContact CE3-CD2 4.18Å; W426-W491 HydrophobicContact CE3-CG 4.39Å; W426-W491 PolarHBondContact O-NE1 2.81Å
427N62.1Low75.2Confident144 Ų14456.1 Ų56.177%0.7728%0.28SS*.THydrogen-bonded Turntrans-59.8116.9170.8-74.9-61.7000110.9N425 V429N425-N427 PolarHBondContact O-N 3.5Å; N427-V429 PolarHBondContact O-N 3.01Å
428R60.6Low75.5Confident98 Ų9856 Ų5637%0.3728%0.277SS..THydrogen-bonded Turntrans34.475178.9-71.3-159.6-175-162.78.1114.3W426 E430W426-R428 PolarHBondContact O-N 3.22Å; R428-E430 PolarHBondContact O-N 3.46Å
429V62.1Low75.7Confident15 Ų1551.3 Ų51.39%0.09125%0.252CS..  trans-64.3105.9160.8-163.30000107.2N390 I393 W426 N427 L431 W491N390-V429 VanDerWaalsContact ND2-CG1 3.32Å; N390-V429 WeakPolarHBondContact ND2-CG1 3.49Å; I393-V429 HydrophobicContact CG1-CG1 4.33Å; W426-V429 HydrophobicContact CB-CG2 3.85Å; W426-V429 HydrophobicContact CD2-CG2 4.18Å; W426-V429 HydrophobicContact CE3-CG2 3.91Å; W426-V429 HydrophobicContact CG-CG2 4.19Å; N427-V429 PolarHBondContact O-N 3.01Å; V429-L431 HydrophobicContact CB-CG 4.34Å; V429-L431 HydrophobicContact CG1-CD2 3.59Å; V429-L431 HydrophobicContact CG1-CG 3.91Å; V429-L431 PolarHBondContact O-N 3.13Å; V429-W491 HydrophobicContact CB-CH2 4.27Å; V429-W491 HydrophobicContact CB-CZ2 3.58Å; V429-W491 HydrophobicContact CG2-CH2 4.4Å; V429-W491 HydrophobicContact CG2-CZ2 3.48Å; V429-W491 VanDerWaalsContact CG2-CZ2 3.48Å
430E63.2Low75.8Confident166 Ų16651 Ų5178%0.77625%0.251SS*.  trans-70.3100.7172.5-72.7-179.1179.100108.8R428R428-E430 PolarHBondContact O-N 3.46Å
431L66.9Low76.1Confident21 Ų2150.8 Ų50.811%0.1125%0.25CC..  trans-110.6133.5173.6-58.2-175.4000108.6I393 V429 L436 I439 W491I393-L431 HydrophobicContact CD1-CD2 3.29Å; I393-L431 HydrophobicContact CG1-CD2 3.53Å; V429-L431 HydrophobicContact CB-CG 4.34Å; V429-L431 HydrophobicContact CG1-CD2 3.59Å; V429-L431 HydrophobicContact CG1-CG 3.91Å; V429-L431 PolarHBondContact O-N 3.13Å; L431-L436 HydrophobicContact CB-CB 4.28Å; L431-L436 HydrophobicContact CD1-CB 3.98Å; L431-L436 HydrophobicContact CD1-CD1 3.83Å; L431-L436 HydrophobicContact CD1-CD2 4.4Å; L431-L436 HydrophobicContact CD1-CG 4.28Å; L431-I439 HydrophobicContact CD1-CD1 4.35Å; L431-I439 HydrophobicContact CD2-CD1 4.5Å; L431-W491 HydrophobicContact CD1-CH2 3.73Å; L431-W491 HydrophobicContact CD1-CZ3 4.37Å; L431-W491 HydrophobicContact CG-CH2 4.5Å
432N68.5Low76.7Confident57 Ų5744.5 Ų44.531%0.30522%0.221SC..  trans-68.8140.2160.1168.9-38.7000108.9D160 N434 Q435 L436D160-N432 PolarHBondContact OD2-ND2 2.98Å; N432-N434 PolarHBondContact O-N 3.39Å; N432-N434 WeakPolarHBondContact OD1-CB 3.44Å; N432-N434 PolarHBondContact OD1-N 2.97Å; N432-Q435 HydrophobicContact CB-CG 4.44Å; N432-Q435 WeakPolarHBondContact O-CA 3.46Å; N432-Q435 WeakPolarHBondContact O-CB 3.48Å; N432-Q435 PolarHBondContact O-N 3.2Å; N432-L436 PolarHBondContact O-N 3.17Å; N432-L436 VanDerWaalsContact O-N 3.13Å
433K69.7Low77.3Confident15 Ų1540.1 Ų40.17%0.06520%0.197CC..Hα-helixtrans-28.6-52.1169.7-166.5168-167.5151.40114.6L436 I437 E573 I576 F753K433-L436 PolarHBondContact O-N 3.23Å; K433-I437 HydrophobicContact CG-CD1 4.01Å; K433-I437 WeakPolarHBondContact O-CG1 3.36Å; K433-I437 PolarHBondContact O-N 2.85Å; K433-E573 WeakPolarHBondContact CA-OE1 3.17Å; K433-E573 HydrophobicContact CB-CG 3.78Å; K433-E573 VanDerWaalsContact CB-OE1 3.29Å; K433-E573 WeakPolarHBondContact CB-OE1 3.33Å; K433-E573 HydrophobicContact CD-CG 4.43Å; K433-E573 HydrophobicContact CG-CG 4.11Å; K433-E573 PolarHBondContact N-OE1 3.08Å; K433-I576 VanDerWaalsContact CE-CD1 3.43Å; K433-I576 VanDerWaalsContact NZ-CD1 3.32Å; K433-F753 HydrophobicContact CD-CD1 4.12Å; K433-F753 HydrophobicContact CD-CE1 4.42Å; K433-F753 HydrophobicContact CD-CG 4.29Å
434N75.3Confident77.9Confident10 Ų1039.9 Ų39.95%0.05320%0.196CC..Hα-helixtrans-68-39.9-175.7-68.4-32.6000111.4D160 D162 N432 L436 R438D160-N434 PolarHBondContact OD1-ND2 3.1Å; D162-N434 PolarHBondContact OD2-ND2 3.16Å; N432-N434 PolarHBondContact O-N 3.39Å; N432-N434 WeakPolarHBondContact OD1-CB 3.44Å; N432-N434 PolarHBondContact OD1-N 2.97Å; N434-L436 VanDerWaalsContact C-N 3.34Å; N434-L436 PolarHBondContact O-N 2.85Å; N434-R438 VanDerWaalsContact O-CB 3.32Å; N434-R438 WeakPolarHBondContact O-CB 3.38Å; N434-R438 WeakPolarHBondContact O-CG 3.14Å; N434-R438 PolarHBondContact O-N 2.85Å
435Q80.8Confident79Confident46 Ų4635.7 Ų35.722%0.21517%0.173CC..Hα-helixtrans-62.3-42.9173.7-65.2176.1-60.100111.2N432 R438 I439N432-Q435 HydrophobicContact CB-CG 4.44Å; N432-Q435 WeakPolarHBondContact O-CA 3.46Å; N432-Q435 WeakPolarHBondContact O-CB 3.48Å; N432-Q435 PolarHBondContact O-N 3.2Å; Q435-R438 PolarHBondContact O-N 3.26Å; Q435-I439 WeakPolarHBondContact O-CB 3.35Å; Q435-I439 WeakPolarHBondContact O-CD1 3.41Å; Q435-I439 WeakPolarHBondContact O-CG1 3.25Å; Q435-I439 PolarHBondContact O-N 2.94Å
436L82.9Confident80Confident6 Ų630.7 Ų30.73%0.03115%0.146CC..Hα-helixtrans-65.7-44.5179.4-178.447.9000112.2L431 N432 K433 N434 R438 I439 L440 W491 L574 A577L431-L436 HydrophobicContact CB-CB 4.28Å; L431-L436 HydrophobicContact CD1-CB 3.98Å; L431-L436 HydrophobicContact CD1-CD1 3.83Å; L431-L436 HydrophobicContact CD1-CD2 4.4Å; L431-L436 HydrophobicContact CD1-CG 4.28Å; N432-L436 PolarHBondContact O-N 3.17Å; N432-L436 VanDerWaalsContact O-N 3.13Å; K433-L436 PolarHBondContact O-N 3.23Å; N434-L436 VanDerWaalsContact C-N 3.34Å; N434-L436 PolarHBondContact O-N 2.85Å; L436-R438 VanDerWaalsContact C-N 3.35Å; L436-R438 PolarHBondContact O-N 2.91Å; L436-I439 PolarHBondContact O-N 3.48Å; L436-L440 HydrophobicContact CD1-CD1 4.5Å; L436-L440 HydrophobicContact CD1-CG 4.39Å; L436-L440 WeakPolarHBondContact O-CG 3.5Å; L436-L440 PolarHBondContact O-N 2.84Å; L436-W491 HydrophobicContact CD1-CZ3 4.47Å; L436-L574 HydrophobicContact CD2-CD2 4.3Å; L436-A577 HydrophobicContact CD1-CB 3.96Å; L436-A577 HydrophobicContact CD2-CB 3.55Å; L436-A577 HydrophobicContact CG-CB 3.7Å
437I84.6Confident80.8Confident11 Ų1130 Ų306%0.05614%0.144CC..Hα-helixtrans-61.7-42173.1-67.9170.9000110.9K433 L440 C441 I576 E719 L723K433-I437 HydrophobicContact CG-CD1 4.01Å; K433-I437 WeakPolarHBondContact O-CG1 3.36Å; K433-I437 PolarHBondContact O-N 2.85Å; I437-L440 PolarHBondContact O-N 3.04Å; I437-C441 PolarHBondContact O-N 3.17Å; I437-C441 PolarHBondContact O-SG 3.46Å; I437-I576 HydrophobicContact CD1-CG2 4.44Å; I437-E719 HydrophobicContact CD1-CB 4.46Å; I437-L723 HydrophobicContact CG2-CD1 4.46Å; I437-L723 HydrophobicContact CG2-CD2 4.11Å
438R89.3Confident81.9Confident22 Ų2223.7 Ų23.78%0.08311%0.11CC..Hα-helixtrans-61.5-47176.7-75.4-162.8-66.5-100.49.9112.5D320 Y324 N434 Q435 L436 L440 C441 I442D320-R438 IonicContact OD2-CZ 3.71Å; D320-R438 IonicContact OD2-NE 3.43Å; D320-R438 PolarHBondContact OD2-NE 3.29Å; D320-R438 IonicContact OD2-NH2 3.68Å; D320-R438 PolarHBondContact OD2-NH2 3.08Å; Y324-R438 HydrophobicContact CD1-CG 3.66Å; Y324-R438 HydrophobicContact CD2-CB 4.09Å; Y324-R438 HydrophobicContact CD2-CG 3.78Å; Y324-R438 HydrophobicContact CE1-CG 4.13Å; Y324-R438 HydrophobicContact CE2-CG 4.24Å; Y324-R438 HydrophobicContact CG-CB 4Å; Y324-R438 HydrophobicContact CG-CG 3.44Å; Y324-R438 VanDerWaalsContact CG-CG 3.44Å; N434-R438 VanDerWaalsContact O-CB 3.32Å; N434-R438 WeakPolarHBondContact O-CB 3.38Å; N434-R438 WeakPolarHBondContact O-CG 3.14Å; N434-R438 PolarHBondContact O-N 2.85Å; Q435-R438 PolarHBondContact O-N 3.26Å; L436-R438 VanDerWaalsContact C-N 3.35Å; L436-R438 PolarHBondContact O-N 2.91Å; R438-L440 PolarHBondContact O-N 3.2Å; R438-C441 PolarHBondContact O-N 3.04Å; R438-I442 WeakPolarHBondContact O-CG1 3.49Å; R438-I442 PolarHBondContact O-N 2.92Å
439I90.1Very high83.1Confident4 Ų422.3 Ų22.32%0.02111%0.108CC..Hα-helixtrans-58.2-46.5176.6-74.5163.8000110.7I393 L396 I397 Y400 L431 Q435 L436 I442 H443I393-I439 HydrophobicContact CG2-CD1 4.04Å; L396-I439 HydrophobicContact CD2-CG2 3.68Å; I397-I439 HydrophobicContact CD1-CG1 4.49Å; Y400-I439 HydrophobicContact CE2-CG2 4.26Å; L431-I439 HydrophobicContact CD1-CD1 4.35Å; L431-I439 HydrophobicContact CD2-CD1 4.5Å; Q435-I439 WeakPolarHBondContact O-CB 3.35Å; Q435-I439 WeakPolarHBondContact O-CD1 3.41Å; Q435-I439 WeakPolarHBondContact O-CG1 3.25Å; Q435-I439 PolarHBondContact O-N 2.94Å; L436-I439 PolarHBondContact O-N 3.48Å; I439-I442 PolarHBondContact O-N 3.46Å; I439-H443 PolarHBondContact O-N 2.82Å
440L91.6Very high84.2Confident1 Ų121.9 Ų21.91%0.00510%0.104CC..Hα-helixtrans-65.5-37.9177.3-71.8-179.8000112.8L436 I437 R438 I442 H443 F444 A577 L580 L581L436-L440 HydrophobicContact CD1-CD1 4.5Å; L436-L440 HydrophobicContact CD1-CG 4.39Å; L436-L440 WeakPolarHBondContact O-CG 3.5Å; L436-L440 PolarHBondContact O-N 2.84Å; I437-L440 PolarHBondContact O-N 3.04Å; R438-L440 PolarHBondContact O-N 3.2Å; L440-I442 VanDerWaalsContact C-N 3.35Å; L440-I442 PolarHBondContact O-N 3.41Å; L440-H443 WeakPolarHBondContact O-CB 3.39Å; L440-H443 PolarHBondContact O-N 2.99Å; L440-F444 HydrophobicContact CB-CD2 4.31Å; L440-F444 HydrophobicContact CB-CE2 3.79Å; L440-F444 HydrophobicContact CB-CZ 4.28Å; L440-F444 HydrophobicContact CD2-CZ 4.41Å; L440-F444 WeakPolarHBondContact O-CD2 3.46Å; L440-F444 VanDerWaalsContact O-CG 3.23Å; L440-F444 WeakPolarHBondContact O-CG 3.33Å; L440-F444 PolarHBondContact O-N 2.79Å; L440-A577 HydrophobicContact CD1-CB 3.78Å; L440-L580 HydrophobicContact CD1-CB 4.28Å; L440-L580 HydrophobicContact CD1-CD1 4.32Å; L440-L581 HydrophobicContact CD2-CD1 4.03Å; L440-L581 HydrophobicContact CD2-CD2 3.93Å; L440-L581 HydrophobicContact CD2-CG 3.91Å
441C92Very high84.9Confident1 Ų114.8 Ų14.81%0.0077%0.072CC..Hα-helixtrans-65.6-37176-67.30000112.7Y324 I437 R438 Y445 L723 F726Y324-C441 HydrophobicContact CD2-CB 3.75Å; Y324-C441 HydrophobicContact CE2-CB 3.8Å; I437-C441 PolarHBondContact O-N 3.17Å; I437-C441 PolarHBondContact O-SG 3.46Å; R438-C441 PolarHBondContact O-N 3.04Å; C441-Y445 WeakPolarHBondContact O-CB 3.32Å; C441-Y445 PolarHBondContact O-N 3.46Å; C441-Y445 VanDerWaalsContact O-N 3.14Å; C441-L723 WeakPolarHBondContact SG-CD2 3.28Å; C441-F726 HydrophobicContact CB-CE1 4.42Å; C441-F726 HydrophobicContact CB-CE2 4.33Å; C441-F726 HydrophobicContact CB-CZ 3.94Å; C441-F726 WeakPolarHBondContact O-CZ 3.38Å
442I94.8Very high85.3Confident0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-63.7-47172.3-65.6160.8000109.6F323 I327 I397 Y400 R438 I439 L440 Y445 L446F323-I442 HydrophobicContact CB-CD1 3.92Å; F323-I442 HydrophobicContact CD1-CD1 3.93Å; F323-I442 HydrophobicContact CD1-CG1 4.49Å; F323-I442 HydrophobicContact CD1-CG2 4.21Å; F323-I442 HydrophobicContact CD2-CD1 4.37Å; F323-I442 HydrophobicContact CD2-CG1 4.21Å; F323-I442 HydrophobicContact CD2-CG2 4.31Å; F323-I442 HydrophobicContact CE1-CG2 3.82Å; F323-I442 HydrophobicContact CE2-CG2 3.92Å; F323-I442 HydrophobicContact CG-CD1 3.8Å; F323-I442 HydrophobicContact CG-CG1 4.15Å; F323-I442 HydrophobicContact CG-CG2 4.46Å; F323-I442 HydrophobicContact CZ-CG2 3.67Å; I327-I442 HydrophobicContact CG1-CG1 4.39Å; I397-I442 HydrophobicContact CD1-CD1 4.12Å; Y400-I442 HydrophobicContact CD1-CG2 4.48Å; Y400-I442 HydrophobicContact CD2-CB 4.48Å; Y400-I442 HydrophobicContact CD2-CG2 3.71Å; Y400-I442 HydrophobicContact CE2-CG2 4.33Å; Y400-I442 HydrophobicContact CG-CG2 3.81Å; R438-I442 WeakPolarHBondContact O-CG1 3.49Å; R438-I442 PolarHBondContact O-N 2.92Å; I439-I442 PolarHBondContact O-N 3.46Å; L440-I442 VanDerWaalsContact C-N 3.35Å; L440-I442 PolarHBondContact O-N 3.41Å; I442-Y445 PolarHBondContact O-N 3.07Å; I442-L446 HydrophobicContact CG2-CD1 3.93Å; I442-L446 WeakPolarHBondContact O-CG 3.4Å; I442-L446 PolarHBondContact O-N 3.39Å
443H94.3Very high85.3Confident0 Ų016.3 Ų16.30%08%0.084CC..Hα-helixtrans-58.1-51.2177.5-174.165.9000113.1Y400 I439 L440 Y445 L446 T447 L481 T485Y400-H443 HydrophobicContact CE1-CB 4.2Å; Y400-H443 AromaticContact CE1-ND1 3.61Å; Y400-H443 AromaticContact CZ-ND1 3.87Å; Y400-H443 WeakPolarHBondContact OH-CB 3.16Å; Y400-H443 PolarHBondContact OH-ND1 3.48Å; I439-H443 PolarHBondContact O-N 2.82Å; L440-H443 WeakPolarHBondContact O-CB 3.39Å; L440-H443 PolarHBondContact O-N 2.99Å; H443-Y445 PolarHBondContact O-N 3.01Å; H443-L446 PolarHBondContact O-N 3.32Å; H443-T447 PolarHBondContact NE2-OG1 2.97Å; H443-T447 WeakPolarHBondContact O-CB 3.15Å; H443-T447 PolarHBondContact O-N 3.04Å; H443-T447 PolarHBondContact O-OG1 3.29Å; H443-L481 PolarHBondContact CE1-O 2.78Å; H443-T485 PolarHBondContact CE1-OG1 3.44Å; H443-T485 PolarHBondContact NE2-OG1 3.25Å
444F92.9Very high85Confident0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-63.2-40.7-179.3-63.5-44.1000112.1L440 D448 L580 L581 W584 F726 P728 L729L440-F444 HydrophobicContact CB-CD2 4.31Å; L440-F444 HydrophobicContact CB-CE2 3.79Å; L440-F444 HydrophobicContact CB-CZ 4.28Å; L440-F444 HydrophobicContact CD2-CZ 4.41Å; L440-F444 WeakPolarHBondContact O-CD2 3.46Å; L440-F444 VanDerWaalsContact O-CG 3.23Å; L440-F444 WeakPolarHBondContact O-CG 3.33Å; L440-F444 PolarHBondContact O-N 2.79Å; F444-D448 WeakPolarHBondContact O-CB 3.41Å; F444-D448 PolarHBondContact O-N 3.03Å; F444-L580 HydrophobicContact CE2-CB 4.08Å; F444-L580 HydrophobicContact CZ-CB 4.16Å; F444-L580 WeakPolarHBondContact CZ-O 3.41Å; F444-L581 HydrophobicContact CE1-CD2 3.99Å; F444-L581 HydrophobicContact CZ-CD2 4.18Å; F444-L581 HydrophobicContact CZ-CG 4.29Å; F444-W584 HydrophobicContact CD1-CB 3.84Å; F444-W584 AromaticContact CD1-CD1 3.5Å; F444-W584 VanDerWaalsContact CD1-CD1 3.5Å; F444-W584 AromaticContact CD1-CD2 3.92Å; F444-W584 HydrophobicContact CD1-CD2 3.92Å; F444-W584 AromaticContact CD1-CG 3.45Å; F444-W584 HydrophobicContact CD1-CG 3.45Å; F444-W584 VanDerWaalsContact CD1-CG 3.45Å; F444-W584 AromaticContact CD1-NE1 3.94Å; F444-W584 HydrophobicContact CE1-CB 3.48Å; F444-W584 VanDerWaalsContact CE1-CB 3.48Å; F444-W584 HydrophobicContact CE1-CD2 4.13Å; F444-W584 AromaticContact CE1-CG 3.6Å; F444-W584 HydrophobicContact CE1-CG 3.6Å; F444-W584 HydrophobicContact CG-CG 4.34Å; F444-W584 HydrophobicContact CZ-CB 4.09Å; F444-F726 HydrophobicContact CB-CE1 4.12Å; F444-F726 HydrophobicContact CB-CZ 4.28Å; F444-F726 HydrophobicContact CD2-CE1 4.29Å; F444-P728 HydrophobicContact CB-CB 3.99Å; F444-L729 HydrophobicContact CD2-CD1 4.07Å; F444-L729 HydrophobicContact CD2-CD2 4.08Å; F444-L729 HydrophobicContact CD2-CG 4.12Å; F444-L729 HydrophobicContact CE2-CD1 4.1Å; F444-L729 HydrophobicContact CE2-CD2 4.08Å; F444-L729 HydrophobicContact CE2-CG 4.42Å; F444-L729 HydrophobicContact CG-CD2 4.4Å; F444-L729 HydrophobicContact CZ-CD2 4.39Å
445Y93.3Very high84.3Confident9 Ų918.9 Ų18.94%0.03510%0.095CC..Hα-helixtrans-65.9-46.2176.7174.3-91.1000112.2I327 L330 A331 Y404 C441 I442 H443 T447 D448 Q449 P728I327-Y445 HydrophobicContact CD1-CD1 3.21Å; I327-Y445 HydrophobicContact CD1-CE1 3.45Å; I327-Y445 VanDerWaalsContact CD1-CE1 3.45Å; I327-Y445 HydrophobicContact CD1-CG 3.88Å; I327-Y445 HydrophobicContact CG1-CD1 4.47Å; I327-Y445 VanDerWaalsContact CG2-CB 3.48Å; I327-Y445 HydrophobicContact CG2-CD1 4.17Å; I327-Y445 HydrophobicContact CG2-CD2 4.28Å; I327-Y445 HydrophobicContact CG2-CG 3.72Å; L330-Y445 HydrophobicContact CB-CE2 4.03Å; A331-Y445 HydrophobicContact CB-CD2 3.69Å; A331-Y445 HydrophobicContact CB-CE2 4.23Å; Y404-Y445 HydrophobicContact CE2-CE1 4.17Å; C441-Y445 WeakPolarHBondContact O-CB 3.32Å; C441-Y445 PolarHBondContact O-N 3.46Å; C441-Y445 VanDerWaalsContact O-N 3.14Å; I442-Y445 PolarHBondContact O-N 3.07Å; H443-Y445 PolarHBondContact O-N 3.01Å; Y445-T447 PolarHBondContact O-N 3.27Å; Y445-D448 PolarHBondContact O-N 3.28Å; Y445-Q449 HydrophobicContact CD1-CG 4.03Å; Y445-Q449 HydrophobicContact CD2-CG 4.46Å; Y445-Q449 HydrophobicContact CE1-CG 3.56Å; Y445-Q449 HydrophobicContact CE2-CG 4.01Å; Y445-Q449 HydrophobicContact CG-CG 4.5Å; Y445-Q449 WeakPolarHBondContact O-CG 3.47Å; Y445-Q449 PolarHBondContact O-N 3.31Å; Y445-Q449 PolarHBondContact OH-OE1 3.39Å; Y445-P728 HydrophobicContact CD2-CG 4.41Å
446L93Very high83.3Confident3 Ų321 Ų212%0.01612%0.115CC..Hα-helixtrans-60.8-48.3178-70.9173.5000110.5Y400 Y404 I442 H443 D448 Q449 Y450 L481Y400-L446 HydrophobicContact CD1-CD1 3.51Å; Y400-L446 HydrophobicContact CE1-CD1 4.44Å; Y400-L446 HydrophobicContact CG-CD1 3.84Å; Y404-L446 HydrophobicContact CD2-CD2 3.86Å; Y404-L446 HydrophobicContact CG-CD2 4.45Å; I442-L446 HydrophobicContact CG2-CD1 3.93Å; I442-L446 WeakPolarHBondContact O-CG 3.4Å; I442-L446 PolarHBondContact O-N 3.39Å; H443-L446 PolarHBondContact O-N 3.32Å; L446-D448 PolarHBondContact O-N 2.91Å; L446-Q449 PolarHBondContact O-N 3.07Å; L446-Y450 WeakPolarHBondContact O-CB 3.18Å; L446-Y450 VanDerWaalsContact O-CD2 3.32Å; L446-Y450 WeakPolarHBondContact O-CD2 3.43Å; L446-Y450 PolarHBondContact O-N 3.26Å; L446-L481 HydrophobicContact CB-CD1 4.01Å; L446-L481 HydrophobicContact CB-CD2 4.19Å
447T88.6Confident81.8Confident1 Ų124.6 Ų24.61%0.00613%0.134CC..Hα-helixtrans-60.8-33.5178.1-43.90000111.5H443 Y445 L451 L481 L482 W584H443-T447 PolarHBondContact NE2-OG1 2.97Å; H443-T447 WeakPolarHBondContact O-CB 3.15Å; H443-T447 PolarHBondContact O-N 3.04Å; H443-T447 PolarHBondContact O-OG1 3.29Å; Y445-T447 PolarHBondContact O-N 3.27Å; T447-L451 WeakPolarHBondContact O-CB 3.41Å; T447-L451 PolarHBondContact O-N 3.43Å; T447-L481 HydrophobicContact CG2-CB 4.05Å; T447-L482 HydrophobicContact CG2-CD2 4.25Å; T447-W584 HydrophobicContact CG2-CH2 3.49Å; T447-W584 VanDerWaalsContact CG2-CH2 3.49Å; T447-W584 HydrophobicContact CG2-CZ2 3.45Å; T447-W584 VanDerWaalsContact CG2-CZ2 3.45Å
448D85.7Confident80.2Confident11 Ų1126.7 Ų26.76%0.05915%0.145CC..Hα-helixtrans-72.8-41.4177.5-169.536.5000114.2F444 Y445 L446 S452 R589 P728F444-D448 WeakPolarHBondContact O-CB 3.41Å; F444-D448 PolarHBondContact O-N 3.03Å; Y445-D448 PolarHBondContact O-N 3.28Å; L446-D448 PolarHBondContact O-N 2.91Å; D448-S452 VanDerWaalsContact O-CB 3.32Å; D448-S452 WeakPolarHBondContact O-CB 3.4Å; D448-S452 PolarHBondContact O-N 3.41Å; D448-S452 PolarHBondContact O-OG 2.81Å; D448-R589 WeakPolarHBondContact OD1-CD 3.39Å; D448-R589 IonicContact OD1-CZ 2.71Å; D448-R589 IonicContact OD1-NE 2.82Å; D448-R589 PolarHBondContact OD1-NE 2.89Å; D448-R589 IonicContact OD1-NH1 2.8Å; D448-R589 PolarHBondContact OD1-NH1 3.27Å; D448-R589 IonicContact OD1-NH2 2.85Å; D448-R589 IonicContact OD2-CZ 2.62Å; D448-R589 IonicContact OD2-NE 2.71Å; D448-R589 IonicContact OD2-NH1 3.63Å; D448-R589 PolarHBondContact OD2-NH1 3.44Å; D448-R589 VanDerWaalsContact OD2-NH1 3.09Å; D448-R589 IonicContact OD2-NH2 3.29Å; D448-R589 PolarHBondContact OD2-NH2 2.89Å; D448-R589 VanDerWaalsContact OD2-NH2 3.08Å; D448-P728 HydrophobicContact CB-CB 4.15Å; D448-P728 HydrophobicContact CB-CG 4.33Å
449Q86.5Confident78.3Confident70 Ų7030.7 Ų30.733%0.32718%0.176SC..Hα-helixtrans-60.1-53.7172.7-64.1-63.5-9600110.2Y445 L446 L451 S452 D453Y445-Q449 HydrophobicContact CD1-CG 4.03Å; Y445-Q449 HydrophobicContact CD2-CG 4.46Å; Y445-Q449 HydrophobicContact CE1-CG 3.56Å; Y445-Q449 HydrophobicContact CE2-CG 4.01Å; Y445-Q449 HydrophobicContact CG-CG 4.5Å; Y445-Q449 WeakPolarHBondContact O-CG 3.47Å; Y445-Q449 PolarHBondContact O-N 3.31Å; Y445-Q449 PolarHBondContact OH-OE1 3.39Å; L446-Q449 PolarHBondContact O-N 3.07Å; Q449-L451 PolarHBondContact O-N 2.8Å; Q449-S452 WeakPolarHBondContact O-CB 3.43Å; Q449-S452 PolarHBondContact O-N 3.44Å; Q449-S452 VanDerWaalsContact O-N 3.07Å; Q449-D453 PolarHBondContact O-N 3.44Å
450Y84.6Confident76.3Confident6 Ų632.5 Ų32.52%0.02419%0.189CC..Hα-helixtrans-62.1-38.4-178.6-86-86.3000112.9L403 L446 T454 H474 T478 L481L403-Y450 HydrophobicContact CB-CE2 4.42Å; L403-Y450 HydrophobicContact CD2-CE2 4.47Å; L403-Y450 PolarHBondContact O-OH 2.96Å; L446-Y450 WeakPolarHBondContact O-CB 3.18Å; L446-Y450 VanDerWaalsContact O-CD2 3.32Å; L446-Y450 WeakPolarHBondContact O-CD2 3.43Å; L446-Y450 PolarHBondContact O-N 3.26Å; Y450-T454 PolarHBondContact O-N 3.32Å; Y450-T454 PolarHBondContact O-OG1 3.06Å; Y450-H474 HydrophobicContact CD1-CB 4.38Å; Y450-H474 WeakPolarHBondContact CD1-O 3.41Å; Y450-T478 PolarHBondContact O-OG1 3.03Å; Y450-T478 VanDerWaalsContact O-OG1 3.06Å; Y450-L481 HydrophobicContact CD2-CD1 3.73Å; Y450-L481 HydrophobicContact CE2-CD1 4.36Å; Y450-L481 HydrophobicContact CG-CD1 4.05Å
451L78.3Confident74.2Confident16 Ų1633.7 Ų33.78%0.08420%0.195CC..Hα-helixtrans-68.8-33.1174.1-173.762.4000112.6T447 Q449 T454 K455 T478 R589 F590T447-L451 WeakPolarHBondContact O-CB 3.41Å; T447-L451 PolarHBondContact O-N 3.43Å; Q449-L451 PolarHBondContact O-N 2.8Å; L451-T454 WeakPolarHBondContact CA-OG1 3.37Å; L451-T454 PolarHBondContact O-OG1 2.91Å; L451-K455 WeakPolarHBondContact O-CG 3.37Å; L451-K455 PolarHBondContact O-N 3.36Å; L451-K455 VanDerWaalsContact O-N 3.15Å; L451-T478 HydrophobicContact CD1-CG2 4.46Å; L451-R589 HydrophobicContact CD2-CB 4.46Å; L451-F590 HydrophobicContact CD2-CD1 4.46Å; L451-F590 HydrophobicContact CD2-CE1 3.76Å; L451-F590 HydrophobicContact CD2-CZ 4.04Å
452S74.3Confident72Confident51 Ų5140.4 Ų40.436%0.35723%0.226SC..Hα-helixtrans-69.6-43.7175.7-59.80000111.6D448 Q449 T454 K455 S456D448-S452 VanDerWaalsContact O-CB 3.32Å; D448-S452 WeakPolarHBondContact O-CB 3.4Å; D448-S452 PolarHBondContact O-N 3.41Å; D448-S452 PolarHBondContact O-OG 2.81Å; Q449-S452 WeakPolarHBondContact O-CB 3.43Å; Q449-S452 PolarHBondContact O-N 3.44Å; Q449-S452 VanDerWaalsContact O-N 3.07Å; S452-T454 VanDerWaalsContact C-N 3.35Å; S452-T454 PolarHBondContact O-N 3.14Å; S452-K455 PolarHBondContact O-N 3.44Å; S452-S456 PolarHBondContact O-N 3.5Å
453D69.5Low69.7Low59 Ų5946.3 Ų46.332%0.31626%0.262SS..Hα-helixtrans-70.6-28.3178.4-65-26.5000113.1Q449 S456 N457 H474Q449-D453 PolarHBondContact O-N 3.44Å; D453-S456 PolarHBondContact O-OG 2.79Å; D453-N457 PolarHBondContact O-ND2 3.36Å; D453-H474 HydrophobicContact CB-CB 4.33Å; D453-H474 VanDerWaalsContact CB-ND1 3.28Å; D453-H474 WeakPolarHBondContact CB-ND1 3.41Å; D453-H474 IonicContact OD2-CE1 3.68Å; D453-H474 PolarHBondContact OD2-CE1 3.47Å; D453-H474 IonicContact OD2-ND1 2.81Å; D453-H474 PolarHBondContact OD2-ND1 3.12Å
454T63Low67.2Low5 Ų548.3 Ų48.33%0.03127%0.273CS..Hα-helixtrans-76.6-30.6172.444.40000112.4Y450 L451 S452 N457 L458 F461 H474 Q475 T478Y450-T454 PolarHBondContact O-N 3.32Å; Y450-T454 PolarHBondContact O-OG1 3.06Å; L451-T454 WeakPolarHBondContact CA-OG1 3.37Å; L451-T454 PolarHBondContact O-OG1 2.91Å; S452-T454 VanDerWaalsContact C-N 3.35Å; S452-T454 PolarHBondContact O-N 3.14Å; T454-N457 CarbonylContact O-C 3.27Å; T454-N457 PolarHBondContact O-N 2.99Å; T454-L458 WeakPolarHBondContact O-CA 3.23Å; T454-L458 WeakPolarHBondContact O-CD1 3.39Å; T454-L458 PolarHBondContact O-N 2.96Å; T454-L458 VanDerWaalsContact O-N 3.08Å; T454-F461 HydrophobicContact CG2-CE2 3.83Å; T454-F461 HydrophobicContact CG2-CZ 4.01Å; T454-H474 HydrophobicContact CG2-CB 4.26Å; T454-H474 WeakPolarHBondContact CG2-O 3.35Å; T454-Q475 HydrophobicContact CG2-CG 4.24Å; T454-T478 VanDerWaalsContact CG2-OG1 3.23Å; T454-T478 WeakPolarHBondContact CG2-OG1 3.42Å
455K61.3Low65.2Low74 Ų7452.6 Ų52.632%0.32230%0.295SS..Hα-helixtrans-65.3-37.2172.4-81.2-170179.3-156.90113.8L451 S452 N457 L458 R589L451-K455 WeakPolarHBondContact O-CG 3.37Å; L451-K455 PolarHBondContact O-N 3.36Å; L451-K455 VanDerWaalsContact O-N 3.15Å; S452-K455 PolarHBondContact O-N 3.44Å; K455-N457 PolarHBondContact O-N 2.97Å; K455-L458 WeakPolarHBondContact O-CB 3.44Å; K455-L458 PolarHBondContact O-N 3.4Å; K455-R589 WeakPolarHBondContact CE-O 3.35Å; K455-R589 PolarHBondContact NZ-O 3.27Å
456S58.7Low63.1Low91 Ų9152.3 Ų52.364%0.63630%0.295SS*.Hα-helixtrans-67.7-23.1174.959.80000113S452 D453S452-S456 PolarHBondContact O-N 3.5Å; D453-S456 PolarHBondContact O-OG 2.79Å
457N51.8Low61.1Low81 Ų8158.7 Ų58.743%0.43332%0.322SS..THydrogen-bonded Turntrans-10713.4-179.4-68.8-76.6000113.8D453 T454 K455 S459 S460D453-N457 PolarHBondContact O-ND2 3.36Å; T454-N457 CarbonylContact O-C 3.27Å; T454-N457 PolarHBondContact O-N 2.99Å; K455-N457 PolarHBondContact O-N 2.97Å; N457-S459 PolarHBondContact O-N 2.9Å; N457-S459 VanDerWaalsContact O-N 3.1Å; N457-S460 WeakPolarHBondContact O-CB 3.23Å; N457-S460 PolarHBondContact O-N 3.31Å; N457-S460 PolarHBondContact O-OG 3.1Å
458L51.3Low59.4Low56 Ų5661.7 Ų61.729%0.29334%0.343SS..G310 helixtrans-66.7-20-161.5-151.766.3000115T454 K455 S460 F461 L603T454-L458 WeakPolarHBondContact O-CA 3.23Å; T454-L458 WeakPolarHBondContact O-CD1 3.39Å; T454-L458 PolarHBondContact O-N 2.96Å; T454-L458 VanDerWaalsContact O-N 3.08Å; K455-L458 WeakPolarHBondContact O-CB 3.44Å; K455-L458 PolarHBondContact O-N 3.4Å; L458-S460 PolarHBondContact O-N 2.99Å; L458-F461 HydrophobicContact CD1-CD2 3.94Å; L458-F461 HydrophobicContact CD1-CE2 4.38Å; L458-F461 PolarHBondContact O-N 3.02Å; L458-F461 VanDerWaalsContact O-N 3.17Å; L458-L603 HydrophobicContact CD1-CD2 3.6Å; L458-L603 HydrophobicContact CD2-CD2 3.71Å; L458-L603 HydrophobicContact CG-CD2 3.64Å
459S48.6Very low57.9Low105 Ų10561.3 Ų61.373%0.73434%0.341SS*.G310 helixtrans-59.7-29172530000112.9N457 F461N457-S459 PolarHBondContact O-N 2.9Å; N457-S459 VanDerWaalsContact O-N 3.1Å; S459-F461 VanDerWaalsContact C-N 3.33Å; S459-F461 PolarHBondContact O-N 3.49Å
460S48.6Very low56.3Low42 Ų4260.5 Ų60.529%0.29434%0.338SS..G310 helixtrans-68.7-27.7176.565.10000113.6N457 L458 Q462 T463 I464 Q475N457-S460 WeakPolarHBondContact O-CB 3.23Å; N457-S460 PolarHBondContact O-N 3.31Å; N457-S460 PolarHBondContact O-OG 3.1Å; L458-S460 PolarHBondContact O-N 2.99Å; S460-Q462 PolarHBondContact O-N 2.88Å; S460-T463 PolarHBondContact O-N 3.11Å; S460-T463 PolarHBondContact O-OG1 3.39Å; S460-I464 WeakPolarHBondContact O-CG1 3.49Å; S460-Q475 PolarHBondContact OG-NE2 3.36Å; S460-Q475 VanDerWaalsContact OG-NE2 3.08Å
461F46.5Very low55Low27 Ų2767.1 Ų67.112%0.11837%0.373CS..G310 helixtrans-67.8-17.9-173.7-92.4-87.8000114.6T454 L458 S459 I464 F469 Q475 L607T454-F461 HydrophobicContact CG2-CE2 3.83Å; T454-F461 HydrophobicContact CG2-CZ 4.01Å; L458-F461 HydrophobicContact CD1-CD2 3.94Å; L458-F461 HydrophobicContact CD1-CE2 4.38Å; L458-F461 PolarHBondContact O-N 3.02Å; L458-F461 VanDerWaalsContact O-N 3.17Å; S459-F461 VanDerWaalsContact C-N 3.33Å; S459-F461 PolarHBondContact O-N 3.49Å; F461-I464 HydrophobicContact CD1-CD1 3.86Å; F461-I464 HydrophobicContact CE1-CD1 4.32Å; F461-I464 HydrophobicContact CG-CD1 4.14Å; F461-F469 HydrophobicContact CE1-CE2 4.01Å; F461-Q475 HydrophobicContact CE1-CG 4.36Å; F461-Q475 HydrophobicContact CE2-CG 3.68Å; F461-Q475 HydrophobicContact CZ-CB 4.01Å; F461-Q475 HydrophobicContact CZ-CG 3.54Å; F461-L607 HydrophobicContact CD1-CD2 3.9Å; F461-L607 HydrophobicContact CE1-CD2 3.6Å
462Q47.1Very low54.6Low142 Ų14268.6 Ų68.666%0.66438%0.381SS*.G310 helixtrans-85.8-6.9-177.7-60.7-173.61.600113.6S460S460-Q462 PolarHBondContact O-N 2.88Å
463T45.8Very low54.6Low123 Ų12369.7 Ų69.776%0.75538%0.381SS*.SBendtrans-131.117-172.950.20000114.1S460 D465S460-T463 PolarHBondContact O-N 3.11Å; S460-T463 PolarHBondContact O-OG1 3.39Å; T463-D465 PolarHBondContact O-N 3.49Å
464I43Very low54.9Low43 Ų4369.5 Ų69.522%0.22138%0.378CS..  trans-72.6110-175.6-58.4-171.6000112S460 F461 F469S460-I464 WeakPolarHBondContact O-CG1 3.49Å; F461-I464 HydrophobicContact CD1-CD1 3.86Å; F461-I464 HydrophobicContact CE1-CD1 4.32Å; F461-I464 HydrophobicContact CG-CD1 4.14Å; I464-F469 HydrophobicContact CD1-CD2 4.06Å; I464-F469 HydrophobicContact CG2-CB 3.8Å; I464-F469 HydrophobicContact CG2-CD2 4.32Å; I464-F469 HydrophobicContact CG2-CG 4.47Å
465D49.8Very low55.3Low90 Ų9069.6 Ų69.648%0.48138%0.378SS..  trans-65.5134.8150.2176.217.3000108.4T463 K467 S468T463-D465 PolarHBondContact O-N 3.49Å; D465-K467 PolarHBondContact O-N 3.35Å; D465-S468 WeakPolarHBondContact O-CB 3.44Å; D465-S468 PolarHBondContact O-N 3.07Å
466G50.3Low56.2Low2 Ų266 Ų662%0.02136%0.362CS..Hα-helixtrans-55.2-23.4-172.900000114.8F469 L840G466-F469 WeakPolarHBondContact O-CB 3.21Å; G466-F469 PolarHBondContact O-N 2.89Å; G466-L840 WeakPolarHBondContact CA-O 3.32Å
467K51Low57.4Low137 Ų13761.7 Ų61.760%0.59633%0.332SS*.Hα-helixtrans-66.1-35.3171-66.4171.9-174.31590113.8D465 F469D465-K467 PolarHBondContact O-N 3.35Å; K467-F469 VanDerWaalsContact C-N 3.33Å
468S52.1Low58.8Low64 Ų6458 Ų5845%0.44831%0.313SS..Hα-helixtrans-72.6-28.2178.1-168.70000112.1D465 M470 L471D465-S468 WeakPolarHBondContact O-CB 3.44Å; D465-S468 PolarHBondContact O-N 3.07Å; S468-M470 VanDerWaalsContact C-N 3.31Å; S468-M470 PolarHBondContact O-N 3.23Å; S468-L471 PolarHBondContact O-N 2.91Å
469F53.7Low60.2Low3 Ų355.7 Ų55.71%0.01330%0.301CS..Hα-helixtrans-60.6-43176.5-162.3-125.7000111.6F461 I464 G466 K467 L471 N472 Q475 T476 A479 V611 F837 L840F461-F469 HydrophobicContact CE1-CE2 4.01Å; I464-F469 HydrophobicContact CD1-CD2 4.06Å; I464-F469 HydrophobicContact CG2-CB 3.8Å; I464-F469 HydrophobicContact CG2-CD2 4.32Å; I464-F469 HydrophobicContact CG2-CG 4.47Å; G466-F469 WeakPolarHBondContact O-CB 3.21Å; G466-F469 PolarHBondContact O-N 2.89Å; K467-F469 VanDerWaalsContact C-N 3.33Å; F469-L471 PolarHBondContact O-N 3.31Å; F469-N472 PolarHBondContact O-N 2.72Å; F469-Q475 HydrophobicContact CD2-CB 4.07Å; F469-Q475 HydrophobicContact CE2-CB 3.93Å; F469-T476 PolarHBondContact O-OG1 3.14Å; F469-A479 HydrophobicContact CE1-CB 4.17Å; F469-A479 HydrophobicContact CZ-CB 3.85Å; F469-V611 HydrophobicContact CE1-CG2 4.4Å; F469-V611 HydrophobicContact CZ-CG2 4.2Å; F469-F837 HydrophobicContact CD1-CD1 4.24Å; F469-F837 HydrophobicContact CD1-CE1 4.13Å; F469-F837 HydrophobicContact CE1-CD1 4.37Å; F469-F837 AromaticContact CE1-CE1 3.96Å; F469-F837 HydrophobicContact CE1-CE1 3.96Å; F469-L840 HydrophobicContact CB-CD2 4.34Å; F469-L840 HydrophobicContact CD1-CD1 4.32Å; F469-L840 HydrophobicContact CD1-CD2 3.57Å; F469-L840 HydrophobicContact CD2-CD2 4.34Å; F469-L840 HydrophobicContact CE1-CD1 4.18Å; F469-L840 HydrophobicContact CE1-CD2 3.79Å; F469-L840 HydrophobicContact CG-CD2 3.85Å; F469-L840 HydrophobicContact CZ-CD2 4.26Å
470M52.9Low62.1Low53 Ų5350.7 Ų50.726%0.26127%0.266SS..THydrogen-bonded Turntrans-67.6-12.2179.4-58.5-85.181.400114.3I413 S468 F837I413-M470 HydrophobicContact CD1-CE 3.43Å; I413-M470 VanDerWaalsContact CD1-CE 3.43Å; I413-M470 HydrophobicContact CD1-SD 3.86Å; S468-M470 VanDerWaalsContact C-N 3.31Å; S468-M470 PolarHBondContact O-N 3.23Å; M470-F837 HydrophobicContact CE-CD1 3.4Å; M470-F837 HydrophobicContact CE-CD2 4.08Å; M470-F837 HydrophobicContact CE-CE1 3.37Å; M470-F837 HydrophobicContact CE-CE2 4.05Å; M470-F837 HydrophobicContact CE-CG 3.8Å; M470-F837 HydrophobicContact CE-CZ 3.72Å; M470-F837 HydrophobicContact SD-CD1 4.37Å; M470-F837 HydrophobicContact SD-CD2 4.5Å; M470-F837 HydrophobicContact SD-CG 4.26Å
471L57.1Low64Low145 Ų14548.7 Ų48.776%0.75925%0.252SS*.THydrogen-bonded Turntrans-101.2-7.8-177.2-68.7171.1000113.4S468 F469S468-L471 PolarHBondContact O-N 2.91Å; F469-L471 PolarHBondContact O-N 3.31Å
472N69.5Low65.8Low48 Ų4847.7 Ų47.726%0.25725%0.248SC..  trans-108111.6-180-173.3-38.4000110.7F469 H474 Q475 T476F469-N472 PolarHBondContact O-N 2.72Å; N472-H474 VanDerWaalsContact C-N 3.35Å; N472-H474 PolarHBondContact O-N 2.8Å; N472-H474 PolarHBondContact OD1-N 3.1Å; N472-Q475 HydrophobicContact CB-CB 3.98Å; N472-Q475 HydrophobicContact CB-CG 3.9Å; N472-Q475 VanDerWaalsContact CG-CG 3.48Å; N472-Q475 PolarHBondContact O-N 3.49Å; N472-Q475 PolarHBondContact OD1-N 3.44Å; N472-Q475 VanDerWaalsContact OD1-N 3.13Å; N472-T476 WeakPolarHBondContact O-CB 3.44Å; N472-T476 PolarHBondContact O-N 3.28Å; N472-T476 PolarHBondContact O-OG1 3.08Å; N472-T476 VanDerWaalsContact O-OG1 3.04Å
473E74.3Confident67.6Low74 Ų7441 Ų4135%0.34622%0.217SC..Hα-helixtrans-55.2-44.3178.3-73.8170.6-157.700112.9H406 P409 G477H406-E473 IonicContact ND1-OE2 3.72Å; P409-E473 HydrophobicContact CG-CB 4.42Å; P409-E473 HydrophobicContact CG-CG 3.57Å; E473-G477 PolarHBondContact O-N 2.78Å
474H75.8Confident69.7Low55 Ų5535.1 Ų35.126%0.25518%0.181SC..Hα-helixtrans-71.7-36.9-177.7-63.3-98000111.8H406 Y450 D453 T454 N472 T478H406-H474 AromaticContact CE1-CE1 3.94Å; Y450-H474 HydrophobicContact CD1-CB 4.38Å; Y450-H474 WeakPolarHBondContact CD1-O 3.41Å; D453-H474 HydrophobicContact CB-CB 4.33Å; D453-H474 VanDerWaalsContact CB-ND1 3.28Å; D453-H474 WeakPolarHBondContact CB-ND1 3.41Å; D453-H474 IonicContact OD2-CE1 3.68Å; D453-H474 PolarHBondContact OD2-CE1 3.47Å; D453-H474 IonicContact OD2-ND1 2.81Å; D453-H474 PolarHBondContact OD2-ND1 3.12Å; T454-H474 HydrophobicContact CG2-CB 4.26Å; T454-H474 WeakPolarHBondContact CG2-O 3.35Å; N472-H474 VanDerWaalsContact C-N 3.35Å; N472-H474 PolarHBondContact O-N 2.8Å; N472-H474 PolarHBondContact OD1-N 3.1Å; H474-T478 WeakPolarHBondContact O-CB 3.47Å; H474-T478 PolarHBondContact O-N 2.91Å; H474-T478 PolarHBondContact O-OG1 3.04Å
475Q73.2Confident71.9Confident6 Ų633 Ų333%0.02817%0.17CC..Hα-helixtrans-68.7-45.4175.4-62.6-178.5-17.400111.4T454 S460 F461 F469 N472 T478 A479T454-Q475 HydrophobicContact CG2-CG 4.24Å; S460-Q475 PolarHBondContact OG-NE2 3.36Å; S460-Q475 VanDerWaalsContact OG-NE2 3.08Å; F461-Q475 HydrophobicContact CE1-CG 4.36Å; F461-Q475 HydrophobicContact CE2-CG 3.68Å; F461-Q475 HydrophobicContact CZ-CB 4.01Å; F461-Q475 HydrophobicContact CZ-CG 3.54Å; F469-Q475 HydrophobicContact CD2-CB 4.07Å; F469-Q475 HydrophobicContact CE2-CB 3.93Å; N472-Q475 HydrophobicContact CB-CB 3.98Å; N472-Q475 HydrophobicContact CB-CG 3.9Å; N472-Q475 VanDerWaalsContact CG-CG 3.48Å; N472-Q475 PolarHBondContact O-N 3.49Å; N472-Q475 PolarHBondContact OD1-N 3.44Å; N472-Q475 VanDerWaalsContact OD1-N 3.13Å; Q475-T478 PolarHBondContact O-N 3.28Å; Q475-A479 VanDerWaalsContact O-CB 3.32Å; Q475-A479 WeakPolarHBondContact O-CB 3.43Å; Q475-A479 PolarHBondContact O-N 3.38Å
476T79.1Confident73.6Confident0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-63.2-45.2176.5-60.80000111.4P409 I413 F469 N472 A479 L480P409-T476 HydrophobicContact CB-CG2 4.29Å; I413-T476 HydrophobicContact CD1-CG2 4.03Å; I413-T476 HydrophobicContact CG1-CG2 3.87Å; F469-T476 PolarHBondContact O-OG1 3.14Å; N472-T476 WeakPolarHBondContact O-CB 3.44Å; N472-T476 PolarHBondContact O-N 3.28Å; N472-T476 PolarHBondContact O-OG1 3.08Å; N472-T476 VanDerWaalsContact O-OG1 3.04Å; T476-A479 WeakPolarHBondContact O-CB 3.43Å; T476-A479 PolarHBondContact O-N 2.73Å; T476-L480 HydrophobicContact CG2-CD1 3.94Å; T476-L480 HydrophobicContact CG2-CG 4.35Å; T476-L480 VanDerWaalsContact O-CG 3.3Å; T476-L480 WeakPolarHBondContact O-CG 3.38Å; T476-L480 PolarHBondContact O-N 3.26Å
477G84.6Confident75.4Confident0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-64.1-43.9177.900000112.9E473 A479 L480 L481E473-G477 PolarHBondContact O-N 2.78Å; G477-A479 PolarHBondContact O-N 3.13Å; G477-L480 PolarHBondContact O-N 3.21Å; G477-L481 WeakPolarHBondContact O-CB 3.37Å; G477-L481 WeakPolarHBondContact O-CD1 3.45Å; G477-L481 WeakPolarHBondContact O-CG 3.25Å; G477-L481 PolarHBondContact O-N 3.4Å
478T81.5Confident77.2Confident4 Ų423.5 Ų23.53%0.02512%0.124CC..Hα-helixtrans-57.9-49.2174.1-55.30000110.8Y450 L451 T454 H474 Q475 L481 L482Y450-T478 PolarHBondContact O-OG1 3.03Å; Y450-T478 VanDerWaalsContact O-OG1 3.06Å; L451-T478 HydrophobicContact CD1-CG2 4.46Å; T454-T478 VanDerWaalsContact CG2-OG1 3.23Å; T454-T478 WeakPolarHBondContact CG2-OG1 3.42Å; H474-T478 WeakPolarHBondContact O-CB 3.47Å; H474-T478 PolarHBondContact O-N 2.91Å; H474-T478 PolarHBondContact O-OG1 3.04Å; Q475-T478 PolarHBondContact O-N 3.28Å; T478-L481 PolarHBondContact O-N 3Å; T478-L482 HydrophobicContact CG2-CD1 4.41Å; T478-L482 WeakPolarHBondContact O-CG 3.36Å; T478-L482 PolarHBondContact O-N 3.44Å
479A80Confident78.9Confident6 Ų620.5 Ų20.55%0.0510%0.102CC..Hα-helixtrans-54.4-56176.800000112.2F469 Q475 T476 G477 L481 L482 C483 V611F469-A479 HydrophobicContact CE1-CB 4.17Å; F469-A479 HydrophobicContact CZ-CB 3.85Å; Q475-A479 VanDerWaalsContact O-CB 3.32Å; Q475-A479 WeakPolarHBondContact O-CB 3.43Å; Q475-A479 PolarHBondContact O-N 3.38Å; T476-A479 WeakPolarHBondContact O-CB 3.43Å; T476-A479 PolarHBondContact O-N 2.73Å; G477-A479 PolarHBondContact O-N 3.13Å; A479-L481 VanDerWaalsContact C-N 3.28Å; A479-L481 PolarHBondContact O-N 3.14Å; A479-L482 PolarHBondContact O-N 3.2Å; A479-L482 VanDerWaalsContact O-N 3.14Å; A479-C483 PolarHBondContact O-N 3.15Å; A479-C483 PolarHBondContact O-SG 3.08Å; A479-V611 HydrophobicContact CB-CB 4.5Å; A479-V611 HydrophobicContact CB-CG1 3.62Å
480L87.2Confident80.4Confident0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-64.1-30.8-177.7-63.4175.6000113F399 L412 I413 A416 F420 T476 G477 C483 L484 L833 F837F399-L480 HydrophobicContact CE2-CD1 4.46Å; F399-L480 HydrophobicContact CZ-CB 4.01Å; F399-L480 HydrophobicContact CZ-CD1 4.3Å; L412-L480 HydrophobicContact CB-CD1 4.2Å; I413-L480 HydrophobicContact CG1-CD1 4.31Å; A416-L480 HydrophobicContact CB-CD1 4.04Å; A416-L480 HydrophobicContact CB-CD2 3.69Å; A416-L480 HydrophobicContact CB-CG 4.35Å; F420-L480 HydrophobicContact CE2-CD2 4.33Å; T476-L480 HydrophobicContact CG2-CD1 3.94Å; T476-L480 HydrophobicContact CG2-CG 4.35Å; T476-L480 VanDerWaalsContact O-CG 3.3Å; T476-L480 WeakPolarHBondContact O-CG 3.38Å; T476-L480 PolarHBondContact O-N 3.26Å; G477-L480 PolarHBondContact O-N 3.21Å; L480-C483 WeakPolarHBondContact O-CB 3.32Å; L480-C483 PolarHBondContact O-N 3.48Å; L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 2.86Å; L480-L833 HydrophobicContact CD2-CD1 3.96Å; L480-L833 HydrophobicContact CD2-CD2 4.36Å; L480-F837 HydrophobicContact CD2-CZ 4.4Å
481L89.4Confident81.9Confident0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-72.9-36.6174.3-75.6162.6000112.4Y400 L403 H443 L446 T447 Y450 G477 T478 A479 L484 T485Y400-L481 HydrophobicContact CE1-CD2 4.28Å; L403-L481 HydrophobicContact CD1-CD1 4.16Å; L403-L481 HydrophobicContact CD1-CD2 3.75Å; L403-L481 HydrophobicContact CD1-CG 3.88Å; H443-L481 PolarHBondContact CE1-O 2.78Å; L446-L481 HydrophobicContact CB-CD1 4.01Å; L446-L481 HydrophobicContact CB-CD2 4.19Å; T447-L481 HydrophobicContact CG2-CB 4.05Å; Y450-L481 HydrophobicContact CD2-CD1 3.73Å; Y450-L481 HydrophobicContact CE2-CD1 4.36Å; Y450-L481 HydrophobicContact CG-CD1 4.05Å; G477-L481 WeakPolarHBondContact O-CB 3.37Å; G477-L481 WeakPolarHBondContact O-CD1 3.45Å; G477-L481 WeakPolarHBondContact O-CG 3.25Å; G477-L481 PolarHBondContact O-N 3.4Å; T478-L481 PolarHBondContact O-N 3Å; A479-L481 VanDerWaalsContact C-N 3.28Å; A479-L481 PolarHBondContact O-N 3.14Å; L481-L484 PolarHBondContact O-N 3.11Å; L481-T485 PolarHBondContact O-N 2.97Å; L481-T485 PolarHBondContact O-OG1 3.35Å
482L84.9Confident83.2Confident6 Ų612.5 Ų12.53%0.0316%0.06CC..Hα-helixtrans-64.8-40.9169.7-66.5-175.6000111.4T447 T478 A479 T485 I486 W584 F608T447-L482 HydrophobicContact CG2-CD2 4.25Å; T478-L482 HydrophobicContact CG2-CD1 4.41Å; T478-L482 WeakPolarHBondContact O-CG 3.36Å; T478-L482 PolarHBondContact O-N 3.44Å; A479-L482 PolarHBondContact O-N 3.2Å; A479-L482 VanDerWaalsContact O-N 3.14Å; L482-T485 WeakPolarHBondContact O-CB 3.35Å; L482-T485 PolarHBondContact O-N 3.14Å; L482-I486 PolarHBondContact O-N 3.03Å; L482-W584 HydrophobicContact CD2-CH2 4.05Å; L482-F608 HydrophobicContact CB-CD1 4.4Å; L482-F608 HydrophobicContact CB-CE1 3.88Å; L482-F608 HydrophobicContact CD1-CE1 4.18Å; L482-F608 HydrophobicContact CD1-CZ 4.38Å; L482-F608 HydrophobicContact CD2-CE1 3.89Å; L482-F608 HydrophobicContact CD2-CZ 3.81Å; L482-F608 HydrophobicContact CG-CE1 4.19Å; L482-F608 HydrophobicContact CG-CZ 4.49Å
483C85.4Confident83.7Confident1 Ų110.2 Ų10.21%0.0075%0.048CC..Hα-helixtrans-54.3-56.3170.7-55.40000111.1F420 A479 L480 T485 I486 Y487 V611F420-C483 HydrophobicContact CD2-CB 4.46Å; F420-C483 HydrophobicContact CE2-CB 3.47Å; F420-C483 VanDerWaalsContact CE2-CB 3.47Å; F420-C483 HydrophobicContact CZ-CB 3.55Å; A479-C483 PolarHBondContact O-N 3.15Å; A479-C483 PolarHBondContact O-SG 3.08Å; L480-C483 WeakPolarHBondContact O-CB 3.32Å; L480-C483 PolarHBondContact O-N 3.48Å; C483-T485 VanDerWaalsContact C-N 3.25Å; C483-T485 PolarHBondContact O-N 3.41Å; C483-I486 PolarHBondContact O-N 3.34Å; C483-Y487 WeakPolarHBondContact O-CD2 3.49Å; C483-Y487 PolarHBondContact O-N 3.19Å; C483-V611 PolarHBondContact SG-O 3.13Å
484L89.5Confident84Confident0 Ų08.8 Ų8.80%05%0.046CC..Hα-helixtrans-60.2-34.8-176.1178.755.2000112.1L396 F399 Y400 L419 F420 M423 L480 L481 I486 Y487 L488L396-L484 HydrophobicContact CD1-CD1 3.97Å; L396-L484 HydrophobicContact CD1-CD2 3.95Å; F399-L484 HydrophobicContact CD1-CD2 3.87Å; F399-L484 HydrophobicContact CE1-CD2 3.79Å; Y400-L484 HydrophobicContact CD1-CD2 4.44Å; Y400-L484 HydrophobicContact CE1-CD2 3.5Å; Y400-L484 VanDerWaalsContact CE1-CD2 3.5Å; L419-L484 HydrophobicContact CD2-CD1 4.24Å; F420-L484 HydrophobicContact CE1-CB 3.93Å; F420-L484 HydrophobicContact CE1-CD1 4.1Å; F420-L484 HydrophobicContact CZ-CB 4.18Å; M423-L484 HydrophobicContact CE-CD1 3.96Å; M423-L484 HydrophobicContact SD-CD1 3.53Å; M423-L484 VanDerWaalsContact SD-CD1 3.53Å; L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 2.86Å; L481-L484 PolarHBondContact O-N 3.11Å; L484-I486 VanDerWaalsContact C-N 3.27Å; L484-I486 PolarHBondContact O-N 2.66Å; L484-Y487 PolarHBondContact O-N 3.29Å; L484-L488 HydrophobicContact CD1-CD1 4.27Å; L484-L488 HydrophobicContact CD1-CG 4.02Å; L484-L488 HydrophobicContact CG-CD1 4.09Å; L484-L488 HydrophobicContact CG-CG 4.34Å; L484-L488 WeakPolarHBondContact O-CB 3.18Å; L484-L488 VanDerWaalsContact O-CG 3.24Å; L484-L488 WeakPolarHBondContact O-CG 3.19Å; L484-L488 PolarHBondContact O-N 3.02Å
485T88.7Confident84.2Confident0 Ų06.7 Ų6.70%04%0.038CC..Hα-helixtrans-54.9-43.5173.8-55.10000111.6H443 L481 L482 C483 I489 L581 W584 F585H443-T485 PolarHBondContact CE1-OG1 3.44Å; H443-T485 PolarHBondContact NE2-OG1 3.25Å; L481-T485 PolarHBondContact O-N 2.97Å; L481-T485 PolarHBondContact O-OG1 3.35Å; L482-T485 WeakPolarHBondContact O-CB 3.35Å; L482-T485 PolarHBondContact O-N 3.14Å; C483-T485 VanDerWaalsContact C-N 3.25Å; C483-T485 PolarHBondContact O-N 3.41Å; T485-I489 HydrophobicContact CG2-CD1 4.4Å; T485-I489 WeakPolarHBondContact O-CG1 3.46Å; T485-I489 PolarHBondContact O-N 3.08Å; T485-I489 VanDerWaalsContact O-N 3.09Å; T485-L581 HydrophobicContact CG2-CD2 4.12Å; T485-W584 HydrophobicContact CG2-CE3 4.44Å; T485-W584 HydrophobicContact CG2-CZ3 4.14Å; T485-F585 HydrophobicContact CG2-CE2 3.85Å; T485-F585 HydrophobicContact CG2-CZ 4.14Å
486I85.5Confident84.4Confident0 Ų06.6 Ų6.60%04%0.037CC..Hα-helixtrans-81.7-34.1-177.2-70.2173.6000111.7L482 C483 L484 L488 I489 N490 F608 T612 P613 F615 L798L482-I486 PolarHBondContact O-N 3.03Å; C483-I486 PolarHBondContact O-N 3.34Å; L484-I486 VanDerWaalsContact C-N 3.27Å; L484-I486 PolarHBondContact O-N 2.66Å; I486-L488 VanDerWaalsContact C-N 3.32Å; I486-L488 PolarHBondContact O-N 3.27Å; I486-I489 PolarHBondContact O-N 3.15Å; I486-N490 WeakPolarHBondContact O-CB 3.3Å; I486-N490 PolarHBondContact O-N 3.44Å; I486-N490 PolarHBondContact O-ND2 2.85Å; I486-F608 HydrophobicContact CD1-CD1 3.9Å; I486-F608 HydrophobicContact CD1-CE1 3.96Å; I486-T612 HydrophobicContact CB-CG2 3.71Å; I486-T612 HydrophobicContact CD1-CG2 3.55Å; I486-T612 HydrophobicContact CG1-CG2 4.1Å; I486-T612 HydrophobicContact CG2-CG2 4.04Å; I486-P613 WeakPolarHBondContact CG2-O 3.25Å; I486-F615 HydrophobicContact CB-CE1 4.37Å; I486-F615 HydrophobicContact CG1-CE1 3.9Å; I486-F615 HydrophobicContact CG1-CZ 4.33Å; I486-F615 HydrophobicContact CG2-CD1 3.94Å; I486-F615 HydrophobicContact CG2-CE1 3.99Å; I486-L798 HydrophobicContact CD1-CD1 4.06Å; I486-L798 HydrophobicContact CD1-CD2 3.32Å; I486-L798 HydrophobicContact CD1-CG 4.3Å
487Y87.8Confident84.2Confident27 Ų278.4 Ų8.411%0.1065%0.048CC..Hα-helixtrans-60.3-40.7167.5-82.3-80.5000112F420 M423 C483 L484 W491 P613F420-Y487 HydrophobicContact CB-CD2 4.37Å; F420-Y487 HydrophobicContact CB-CE1 4.12Å; F420-Y487 HydrophobicContact CB-CE2 3.92Å; F420-Y487 AromaticContact CD1-CD2 3.86Å; F420-Y487 HydrophobicContact CD1-CD2 3.86Å; F420-Y487 HydrophobicContact CD1-CE2 4.17Å; F420-Y487 HydrophobicContact CD1-CG 4.23Å; F420-Y487 HydrophobicContact CD2-CD2 4.22Å; F420-Y487 AromaticContact CD2-CE2 3.79Å; F420-Y487 HydrophobicContact CD2-CE2 3.79Å; F420-Y487 HydrophobicContact CE1-CD2 4.21Å; F420-Y487 HydrophobicContact CE2-CE2 4.36Å; F420-Y487 AromaticContact CG-CD2 3.89Å; F420-Y487 HydrophobicContact CG-CD2 3.89Å; F420-Y487 AromaticContact CG-CE2 3.69Å; F420-Y487 HydrophobicContact CG-CE2 3.69Å; F420-Y487 HydrophobicContact CG-CG 4.47Å; M423-Y487 HydrophobicContact CB-CD1 4.28Å; C483-Y487 WeakPolarHBondContact O-CD2 3.49Å; C483-Y487 PolarHBondContact O-N 3.19Å; L484-Y487 PolarHBondContact O-N 3.29Å; Y487-W491 WeakPolarHBondContact O-CB 3.47Å; Y487-W491 PolarHBondContact O-N 2.95Å; Y487-P613 HydrophobicContact CE2-CG 4.05Å
488L88.7Confident83.6Confident2 Ų29.8 Ų9.81%0.016%0.062CC..Hα-helixtrans-63.2-45.7174.8-73.7168.8000111.9M423 L484 I486 W491 I492 L581M423-L488 HydrophobicContact CE-CD2 3.9Å; M423-L488 HydrophobicContact CE-CG 4.16Å; L484-L488 HydrophobicContact CD1-CD1 4.27Å; L484-L488 HydrophobicContact CD1-CG 4.02Å; L484-L488 HydrophobicContact CG-CD1 4.09Å; L484-L488 HydrophobicContact CG-CG 4.34Å; L484-L488 WeakPolarHBondContact O-CB 3.18Å; L484-L488 VanDerWaalsContact O-CG 3.24Å; L484-L488 WeakPolarHBondContact O-CG 3.19Å; L484-L488 PolarHBondContact O-N 3.02Å; I486-L488 VanDerWaalsContact C-N 3.32Å; I486-L488 PolarHBondContact O-N 3.27Å; L488-W491 HydrophobicContact CD2-CE3 4.18Å; L488-W491 PolarHBondContact O-N 3.45Å; L488-I492 WeakPolarHBondContact O-CB 3.13Å; L488-I492 WeakPolarHBondContact O-CD1 3.4Å; L488-I492 VanDerWaalsContact O-CG1 3.24Å; L488-I492 WeakPolarHBondContact O-CG1 3.01Å; L488-I492 PolarHBondContact O-N 3.27Å; L488-L581 HydrophobicContact CB-CD1 4.42Å
489I87.4Confident83Confident0 Ų09.7 Ų9.70%06%0.062CC..Hα-helixtrans-60.5-51.1176.3-70.3168000110.8T485 I486 W491 I492 T493 L578 L581 F582 F585 F615 T619T485-I489 HydrophobicContact CG2-CD1 4.4Å; T485-I489 WeakPolarHBondContact O-CG1 3.46Å; T485-I489 PolarHBondContact O-N 3.08Å; T485-I489 VanDerWaalsContact O-N 3.09Å; I486-I489 PolarHBondContact O-N 3.15Å; I489-W491 VanDerWaalsContact C-N 3.28Å; I489-W491 PolarHBondContact O-N 3.33Å; I489-I492 PolarHBondContact O-N 3.49Å; I489-T493 PolarHBondContact O-N 3.06Å; I489-T493 PolarHBondContact O-OG1 2.63Å; I489-T493 VanDerWaalsContact O-OG1 3.05Å; I489-L578 HydrophobicContact CG2-CD1 4.06Å; I489-L581 HydrophobicContact CD1-CB 4.3Å; I489-L581 HydrophobicContact CG1-CB 4.05Å; I489-L581 HydrophobicContact CG1-CD1 3.9Å; I489-L581 HydrophobicContact CG1-CD2 4.44Å; I489-L581 HydrophobicContact CG1-CG 4.36Å; I489-F582 HydrophobicContact CG2-CZ 4.42Å; I489-F585 HydrophobicContact CD1-CE2 3.87Å; I489-F615 HydrophobicContact CB-CE1 3.93Å; I489-F615 HydrophobicContact CD1-CE1 3.78Å; I489-F615 HydrophobicContact CD1-CZ 3.99Å; I489-F615 HydrophobicContact CG1-CE1 4.45Å; I489-F615 HydrophobicContact CG2-CD1 3.92Å; I489-F615 HydrophobicContact CG2-CE1 3.55Å; I489-F615 HydrophobicContact CG2-CZ 4.38Å; I489-T619 HydrophobicContact CG2-CG2 4.05Å
490N85.2Confident82.2Confident15 Ų1511 Ų118%0.087%0.069CC..Hα-helixtrans-61.3-35.3179.4-75-34000112.6I486 T493 S494 T616 T619I486-N490 WeakPolarHBondContact O-CB 3.3Å; I486-N490 PolarHBondContact O-N 3.44Å; I486-N490 PolarHBondContact O-ND2 2.85Å; N490-T493 PolarHBondContact O-OG1 2.99Å; N490-S494 WeakPolarHBondContact O-CB 3.4Å; N490-S494 PolarHBondContact O-N 2.77Å; N490-S494 VanDerWaalsContact O-N 3.12Å; N490-S494 PolarHBondContact O-OG 2.87Å; N490-T616 HydrophobicContact CB-CG2 4.28Å; N490-T616 PolarHBondContact OD1-N 3.38Å; N490-T616 PolarHBondContact OD1-OG1 3.19Å; N490-T619 PolarHBondContact OD1-OG1 2.78Å
491W85Confident80.9Confident19 Ų1914.3 Ų14.37%0.0729%0.092CC..Hα-helixtrans-70.2-43.3175.7168.162.3000112.3W426 V429 L431 L436 Y487 L488 I489 S495 L574W426-W491 HydrophobicContact CB-CG 4.47Å; W426-W491 HydrophobicContact CE3-CD2 4.18Å; W426-W491 HydrophobicContact CE3-CG 4.39Å; W426-W491 PolarHBondContact O-NE1 2.81Å; V429-W491 HydrophobicContact CB-CH2 4.27Å; V429-W491 HydrophobicContact CB-CZ2 3.58Å; V429-W491 HydrophobicContact CG2-CH2 4.4Å; V429-W491 HydrophobicContact CG2-CZ2 3.48Å; V429-W491 VanDerWaalsContact CG2-CZ2 3.48Å; L431-W491 HydrophobicContact CD1-CH2 3.73Å; L431-W491 HydrophobicContact CD1-CZ3 4.37Å; L431-W491 HydrophobicContact CG-CH2 4.5Å; L436-W491 HydrophobicContact CD1-CZ3 4.47Å; Y487-W491 WeakPolarHBondContact O-CB 3.47Å; Y487-W491 PolarHBondContact O-N 2.95Å; L488-W491 HydrophobicContact CD2-CE3 4.18Å; L488-W491 PolarHBondContact O-N 3.45Å; I489-W491 VanDerWaalsContact C-N 3.28Å; I489-W491 PolarHBondContact O-N 3.33Å; W491-S495 PolarHBondContact NE1-OG 3.02Å; W491-S495 VanDerWaalsContact O-CB 3.32Å; W491-S495 WeakPolarHBondContact O-CB 3.41Å; W491-S495 PolarHBondContact O-N 3.06Å; W491-S495 PolarHBondContact O-OG 3.17Å; W491-L574 HydrophobicContact CH2-CD2 4.44Å
492I84.6Confident79.3Confident0 Ų020.7 Ų20.70%012%0.12CC..Hα-helixtrans-65.8-48178.9-72.2162.9000111L488 I489 S495 I496 L574 A577 L578 L581L488-I492 WeakPolarHBondContact O-CB 3.13Å; L488-I492 WeakPolarHBondContact O-CD1 3.4Å; L488-I492 VanDerWaalsContact O-CG1 3.24Å; L488-I492 WeakPolarHBondContact O-CG1 3.01Å; L488-I492 PolarHBondContact O-N 3.27Å; I489-I492 PolarHBondContact O-N 3.49Å; I492-S495 WeakPolarHBondContact O-CB 3.47Å; I492-S495 PolarHBondContact O-N 3.37Å; I492-I496 HydrophobicContact CG2-CD1 4.13Å; I492-I496 WeakPolarHBondContact O-CG1 3.32Å; I492-I496 PolarHBondContact O-N 2.96Å; I492-L574 HydrophobicContact CG1-CD2 4.27Å; I492-L574 HydrophobicContact CG2-CB 4.15Å; I492-L574 HydrophobicContact CG2-CD2 4.19Å; I492-L574 WeakPolarHBondContact CG2-O 3.36Å; I492-A577 HydrophobicContact CD1-CB 3.84Å; I492-L578 HydrophobicContact CG2-CB 3.98Å; I492-L578 HydrophobicContact CG2-CD1 4.11Å; I492-L581 HydrophobicContact CD1-CD1 3.46Å; I492-L581 VanDerWaalsContact CD1-CD1 3.46Å
493T81Confident77.7Confident0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-63.8-44.6177.753.20000111.9I489 N490 S495 I496 V497 L578 T619 F622I489-T493 PolarHBondContact O-N 3.06Å; I489-T493 PolarHBondContact O-OG1 2.63Å; I489-T493 VanDerWaalsContact O-OG1 3.05Å; N490-T493 PolarHBondContact O-OG1 2.99Å; T493-S495 PolarHBondContact O-N 2.73Å; T493-I496 PolarHBondContact O-N 3.39Å; T493-I496 VanDerWaalsContact O-N 3.13Å; T493-V497 WeakPolarHBondContact O-CG2 3.42Å; T493-V497 PolarHBondContact O-N 3.07Å; T493-L578 HydrophobicContact CG2-CD1 3.87Å; T493-L578 HydrophobicContact CG2-CD2 3.98Å; T493-T619 HydrophobicContact CG2-CG2 4.1Å; T493-T619 PolarHBondContact OG1-OG1 3.11Å; T493-F622 HydrophobicContact CG2-CD1 3.85Å; T493-F622 HydrophobicContact CG2-CE1 4.29Å
494S80.3Confident75.6Confident44 Ų4425.3 Ų25.331%0.30815%0.145SC..Hα-helixtrans-61.9-34.7175.8-59.70000111.7N490 G498N490-S494 WeakPolarHBondContact O-CB 3.4Å; N490-S494 PolarHBondContact O-N 2.77Å; N490-S494 VanDerWaalsContact O-N 3.12Å; N490-S494 PolarHBondContact O-OG 2.87Å; S494-G498 PolarHBondContact O-N 3.01Å
495S79.7Confident73.2Confident11 Ų1128.1 Ų28.18%0.07717%0.165CC..Hα-helixtrans-65.9-43.5173-63.90000112W491 I492 T493 G498 I499W491-S495 PolarHBondContact NE1-OG 3.02Å; W491-S495 VanDerWaalsContact O-CB 3.32Å; W491-S495 WeakPolarHBondContact O-CB 3.41Å; W491-S495 PolarHBondContact O-N 3.06Å; W491-S495 PolarHBondContact O-OG 3.17Å; I492-S495 WeakPolarHBondContact O-CB 3.47Å; I492-S495 PolarHBondContact O-N 3.37Å; T493-S495 PolarHBondContact O-N 2.73Å; S495-G498 PolarHBondContact O-N 2.62Å; S495-I499 WeakPolarHBondContact O-CD1 3.1Å; S495-I499 WeakPolarHBondContact O-CG1 3.27Å; S495-I499 PolarHBondContact O-N 3.24Å
496I76.8Confident70.8Confident3 Ų331.3 Ų31.32%0.01519%0.187CC..Hα-helixtrans-62.3-45.6175.6-62.8163.8000111.2I492 T493 I499 T500 L574 L578 F622I492-I496 HydrophobicContact CG2-CD1 4.13Å; I492-I496 WeakPolarHBondContact O-CG1 3.32Å; I492-I496 PolarHBondContact O-N 2.96Å; T493-I496 PolarHBondContact O-N 3.39Å; T493-I496 VanDerWaalsContact O-N 3.13Å; I496-I499 WeakPolarHBondContact O-CB 3.45Å; I496-I499 PolarHBondContact O-N 3.37Å; I496-I499 VanDerWaalsContact O-N 3.1Å; I496-T500 PolarHBondContact O-N 2.8Å; I496-T500 VanDerWaalsContact O-N 3.12Å; I496-L574 HydrophobicContact CD1-CB 3.94Å; I496-L574 HydrophobicContact CG1-CB 3.63Å; I496-L574 HydrophobicContact CG1-CD1 3.99Å; I496-L574 HydrophobicContact CG1-CG 4.45Å; I496-L578 HydrophobicContact CD1-CD2 4.35Å; I496-F622 HydrophobicContact CB-CE2 4.29Å; I496-F622 HydrophobicContact CB-CZ 4.33Å; I496-F622 HydrophobicContact CD1-CE1 4.28Å; I496-F622 HydrophobicContact CD1-CZ 3.96Å; I496-F622 HydrophobicContact CG2-CD2 4.43Å; I496-F622 HydrophobicContact CG2-CE2 3.52Å; I496-F622 HydrophobicContact CG2-CZ 3.75Å
497V74.9Confident68.4Low38 Ų3836.1 Ų36.123%0.2321%0.213CC..Hα-helixtrans-66.4-39.9178.3175.20000111.7T493 I499 T500 S501 F622T493-V497 WeakPolarHBondContact O-CG2 3.42Å; T493-V497 PolarHBondContact O-N 3.07Å; V497-I499 PolarHBondContact O-N 2.73Å; V497-T500 PolarHBondContact O-N 2.99Å; V497-T500 PolarHBondContact O-OG1 2.9Å; V497-T500 VanDerWaalsContact O-OG1 3.11Å; V497-S501 PolarHBondContact O-N 3.19Å; V497-S501 VanDerWaalsContact O-N 3.16Å; V497-S501 PolarHBondContact O-OG 3.37Å; V497-F622 HydrophobicContact CG2-CB 4.09Å; V497-F622 HydrophobicContact CG2-CD2 3.91Å; V497-F622 HydrophobicContact CG2-CG 4.27Å
498G71.8Confident65.8Low29 Ų2941.1 Ų41.130%0.29924%0.237SC..Hα-helixtrans-69.4-7.6172.400000114.6S494 S495S494-G498 PolarHBondContact O-N 3.01Å; S495-G498 PolarHBondContact O-N 2.62Å
499I68.7Low63.2Low3 Ų348 Ų482%0.01527%0.269CS..Hα-helixtrans-90-44.9167.7-68.2159.3000111S495 I496 V497 I567 C570 K571 L574S495-I499 WeakPolarHBondContact O-CD1 3.1Å; S495-I499 WeakPolarHBondContact O-CG1 3.27Å; S495-I499 PolarHBondContact O-N 3.24Å; I496-I499 WeakPolarHBondContact O-CB 3.45Å; I496-I499 PolarHBondContact O-N 3.37Å; I496-I499 VanDerWaalsContact O-N 3.1Å; V497-I499 PolarHBondContact O-N 2.73Å; I499-I567 HydrophobicContact CG2-CG2 3.39Å; I499-C570 HydrophobicContact CD1-CB 4.29Å; I499-K571 HydrophobicContact CG2-CD 4.28Å; I499-K571 VanDerWaalsContact CG2-CE 3.42Å; I499-K571 HydrophobicContact CG2-CG 3.93Å; I499-L574 HydrophobicContact CD1-CD1 3.65Å
500T64.2Low60.7Low32 Ų3253.1 Ų53.120%0.19630%0.295CS..Hα-helixtrans-69.6-40.3-175.852.10000113.2I496 V497 K502 T503 I762I496-T500 PolarHBondContact O-N 2.8Å; I496-T500 VanDerWaalsContact O-N 3.12Å; V497-T500 PolarHBondContact O-N 2.99Å; V497-T500 PolarHBondContact O-OG1 2.9Å; V497-T500 VanDerWaalsContact O-OG1 3.11Å; T500-K502 PolarHBondContact O-N 2.69Å; T500-T503 PolarHBondContact O-N 3.29Å; T500-T503 VanDerWaalsContact O-N 3.16Å; T500-T503 PolarHBondContact O-OG1 3.49Å; T500-I762 HydrophobicContact CG2-CG2 3.84Å
501S60.2Low58.1Low70 Ų7056.9 Ų56.949%0.4932%0.322SS..Hα-helixtrans-58.3-48.7-179.256.80000113.1V497 T503 L504 S505V497-S501 PolarHBondContact O-N 3.19Å; V497-S501 VanDerWaalsContact O-N 3.16Å; V497-S501 PolarHBondContact O-OG 3.37Å; S501-T503 PolarHBondContact O-N 3.25Å; S501-L504 PolarHBondContact O-N 3.47Å; S501-L504 VanDerWaalsContact O-N 3.16Å; S501-S505 PolarHBondContact O-N 3.37Å
502K56.2Low55.5Low134 Ų13459.6 Ų59.658%0.58334%0.344SS*.Hα-helixtrans-57.6-35.1178-70.1-170.9175-173.50112.5T500 L504 S505 S506T500-K502 PolarHBondContact O-N 2.69Å; K502-L504 VanDerWaalsContact C-N 3.31Å; K502-L504 PolarHBondContact O-N 2.96Å; K502-S505 PolarHBondContact O-N 3.33Å; K502-S505 PolarHBondContact O-OG 2.99Å; K502-S506 PolarHBondContact O-N 2.93Å; K502-S506 PolarHBondContact O-OG 3.05Å
503T50.6Low52.9Low13 Ų1364.8 Ų64.88%0.0838%0.376CS..Hα-helixtrans-74.6-15-177.455.30000114.8T500 S501 S506 N507 I567 Y759T500-T503 PolarHBondContact O-N 3.29Å; T500-T503 VanDerWaalsContact O-N 3.16Å; T500-T503 PolarHBondContact O-OG1 3.49Å; S501-T503 PolarHBondContact O-N 3.25Å; T503-S506 PolarHBondContact O-OG 3.49Å; T503-N507 PolarHBondContact O-ND2 3.08Å; T503-I567 HydrophobicContact CG2-CD1 4.02Å; T503-I567 HydrophobicContact CG2-CG2 4.29Å; T503-Y759 VanDerWaalsContact CG2-OH 3.31Å; T503-Y759 WeakPolarHBondContact CG2-OH 3.36Å
504L40.9Very low50.4Low92 Ų9272.1 Ų72.148%0.48241%0.414SS..Hα-helixtrans-80.2-50.8167-86.968.6000110.4S501 K502 S506 N507 E508S501-L504 PolarHBondContact O-N 3.47Å; S501-L504 VanDerWaalsContact O-N 3.16Å; K502-L504 VanDerWaalsContact C-N 3.31Å; K502-L504 PolarHBondContact O-N 2.96Å; L504-S506 PolarHBondContact O-N 2.94Å; L504-S506 VanDerWaalsContact O-N 3.09Å; L504-N507 PolarHBondContact O-N 2.94Å; L504-E508 PolarHBondContact O-N 3.18Å
505S38.9Very low47.8Very low59 Ų5974.4 Ų74.441%0.41343%0.43SS..Hα-helixtrans-57.7-28.8-176.6610000114.6S501 K502S501-S505 PolarHBondContact O-N 3.37Å; K502-S505 PolarHBondContact O-N 3.33Å; K502-S505 PolarHBondContact O-OG 2.99Å
506S38.9Very low45.4Very low67 Ų6782 Ų8247%0.46947%0.47SS..Hα-helixtrans-78.7-18175.555.50000114.5K502 T503 L504K502-S506 PolarHBondContact O-N 2.93Å; K502-S506 PolarHBondContact O-OG 3.05Å; T503-S506 PolarHBondContact O-OG 3.49Å; L504-S506 PolarHBondContact O-N 2.94Å; L504-S506 VanDerWaalsContact O-N 3.09Å
507N34.3Very low43Very low101 Ų10190.7 Ų90.754%0.5451%0.51SS..Hα-helixtrans-89.2-37.9176.1-73-10.5000111.5T503 L504 H509 I510 S511T503-N507 PolarHBondContact O-ND2 3.08Å; L504-N507 PolarHBondContact O-N 2.94Å; N507-H509 VanDerWaalsContact C-N 3.3Å; N507-H509 PolarHBondContact O-N 2.98Å; N507-I510 WeakPolarHBondContact O-CB 3.31Å; N507-I510 PolarHBondContact O-N 3.15Å; N507-S511 PolarHBondContact O-N 2.85Å
508E34.1Very low40.7Very low131 Ų13197.4 Ų97.461%0.61254%0.539SS*.Hα-helixtrans-58-41.2-179.4-68.8175.4143.600112.1L504 I510 S511 S512L504-E508 PolarHBondContact O-N 3.18Å; E508-I510 PolarHBondContact O-N 3.38Å; E508-S511 PolarHBondContact O-N 3.36Å; E508-S512 WeakPolarHBondContact O-CB 3.38Å; E508-S512 PolarHBondContact O-N 3.2Å; E508-S512 PolarHBondContact O-OG 3.41Å
509H34.5Very low38.7Very low148 Ų148101.7 Ų101.769%0.68556%0.56SS**Hα-helixtrans-65.6-11.6174.9-83.9-60.6000115.4N507 S512 T513N507-H509 VanDerWaalsContact C-N 3.3Å; N507-H509 PolarHBondContact O-N 2.98Å; H509-S512 PolarHBondContact O-OG 3.3Å; H509-T513 PolarHBondContact O-OG1 3.41Å
510I34.7Very low36.7Very low106 Ų106108.6 Ų108.654%0.54460%0.595SS.*Hα-helixtrans-93.7-37.3174.6-59.9176.1000109.9N507 E508N507-I510 WeakPolarHBondContact O-CB 3.31Å; N507-I510 PolarHBondContact O-N 3.15Å; E508-I510 PolarHBondContact O-N 3.38Å
511S30.9Very low35Very low94 Ų94113.1 Ų113.166%0.65762%0.623SS**Hα-helixtrans-74.9-25.6175.8-64.50000114N507 E508 T513N507-S511 PolarHBondContact O-N 2.85Å; E508-S511 PolarHBondContact O-N 3.36Å; S511-T513 PolarHBondContact O-N 2.96Å; S511-T513 VanDerWaalsContact O-N 3.12Å
512S30.5Very low33.5Very low76 Ų76117 Ų11753%0.53164%0.638SS.*THydrogen-bonded Turntrans-71.10.1-179.264.20000115.6E508 H509E508-S512 WeakPolarHBondContact O-CB 3.38Å; E508-S512 PolarHBondContact O-N 3.2Å; E508-S512 PolarHBondContact O-OG 3.41Å; H509-S512 PolarHBondContact O-OG 3.3Å
513T29.2Very low32.4Very low110 Ų110117.9 Ų117.968%0.67565%0.649SS**THydrogen-bonded Turntrans-108.85.2-169.5-43.60000112.8H509 S511H509-T513 PolarHBondContact O-OG1 3.41Å; S511-T513 PolarHBondContact O-N 2.96Å; S511-T513 VanDerWaalsContact O-N 3.12Å
514I28.5Very low31.5Very low153 Ų153121 Ų12179%0.78567%0.671SS**SBendtrans-132.452.5-179.4-43-178.4000111.2
515S24.9Very low31.3Very low92 Ų92123 Ų12364%0.64368%0.683SS**  trans-171.397.7163.7370000111.9
516N29.9Very low31Very low172 Ų172126 Ų12692%0.9269%0.694SS**  trans-160.4121.2154.3-92.8-44.4000108.1
517E27.1Very low30.8Very low184 Ų184128.4 Ų128.486%0.8670%0.701SS**  trans-85.9154.8175.4-65.1175.6117.400110.4
518E26.8Very low30.7Very low180 Ų180130.4 Ų130.484%0.84171%0.712SS**  trans50.4125.7162.7-56-175.5151.600117.8
519T28.9Very low30.6Very low119 Ų119129.8 Ų129.873%0.7372%0.717SS**  -173.8131.767-57.20000111.7
520I27.1Very low30.4Very low148 Ų148129 Ų12976%0.75972%0.718SS**  trans8.3121.7144.3-44.6165.8000115.4
521T29.1Very low30.2Very low127 Ų127130.4 Ų130.478%0.77973%0.726SS**  -169161.271.9-34.30000111.8
522N27.4Very low30Very low151 Ų151131.9 Ų131.981%0.80774%0.735SS**  trans-68.1154171.4-45-32.7000112.9
523D32.8Very low30.1Very low153 Ų153135.1 Ų135.182%0.81875%0.747SS**  -152.5-175.3102.8-138.7-38000111.4
524S32.9Very low30.2Very low78 Ų78137.3 Ų137.355%0.54576%0.755SS.*  trans-134170.7-143.4530000115.8
525N36.2Very low30.4Very low135 Ų135136.3 Ų136.372%0.72275%0.75SS**  trans85.1143164.1-44.3-66.4000118
526N33.1Very low30.9Very low121 Ų121138.6 Ų138.665%0.64776%0.756SS**  cis-168.7162.2-32.7-118.631.5000110.4
527D33.1Very low31Very low117 Ų117136.7 Ų136.763%0.62675%0.745SS**  trans57.5115.8143.8-49.5-16000123
528D32.5Very low31.1Very low143 Ų143132.4 Ų132.477%0.76574%0.736SS**  85.4116.3116.3-69.7-1.7000125.8
529V31.9Very low31.3Very low118 Ų118130.4 Ų130.472%0.71573%0.73SS**  90120.4117.3171.80000122.2
530D30.1Very low31.5Very low133 Ų133131.1 Ų131.171%0.71173%0.729SS**  trans58.5135146.6-72.37.3000125.9
531N31Very low31.6Very low134 Ų134131.3 Ų131.372%0.71772%0.724SS**  trans36.5126.1135.5-59.1-49.3000121
532C27.7Very low31.7Very low125 Ų125133.2 Ų133.285%0.84573%0.73SS**  -173160101-102.40000113.3
533D31Very low31.7Very low144 Ų144132.4 Ų132.477%0.7772%0.721SS**  trans-67.2159.1-179.2-45.5-85.5000113.9
534N33.3Very low31.5Very low157 Ų157133.3 Ų133.384%0.8473%0.726SS**  -159.5144.7126.7-116.9-88.6000113.6
535D31.8Very low31.1Very low131 Ų131135.1 Ų135.170%0.70174%0.739SS**  trans-67.9164.7-178.8-61.1-74000114.2
536N34.9Very low30.5Very low140 Ų140135.1 Ų135.175%0.74974%0.744SS**  -165119.8111.2-105.6-72.1000114.1
537N32.1Very low30.2Very low132 Ų132136.2 Ų136.271%0.70675%0.749SS**  23.3142127.1-60.2-63.2000119.6
538S29.7Very low29.8Very low95 Ų95137.7 Ų137.766%0.66476%0.756SS**  cis-173174.2-354.60000107
539I31.2Very low29.5Very low138 Ų138135.9 Ų135.971%0.70875%0.754SS**  -178.115456.1-130.9157.1000108.4
540N32.9Very low29.1Very low134 Ų134134 Ų13472%0.71775%0.747SS**  trans52.1114.6170.9-58.9-8.8000118.6
541K28.5Very low29.1Very low152 Ų152132 Ų13266%0.66174%0.741SS**  68.9108.459-66-164.1166.5-131.50115.5E543K541-E543 WeakPolarHBondContact CE-OE1 3.26Å; K541-E543 IonicContact NZ-OE1 2.72Å; K541-E543 PolarHBondContact NZ-OE1 3.5Å
542D32.9Very low29Very low166 Ų166129.6 Ų129.689%0.88873%0.731SS**  -145.9160.290-92.2-27.4000110.5
543E26.9Very low29.1Very low135 Ų135127 Ų12763%0.63172%0.719SS**  trans-116.6129.2-156.3-63.1164.8-155.200112.8K541K541-E543 WeakPolarHBondContact CE-OE1 3.26Å; K541-E543 IonicContact NZ-OE1 2.72Å; K541-E543 PolarHBondContact NZ-OE1 3.5Å
544N27.4Very low28.9Very low172 Ų172128.1 Ų128.192%0.9272%0.724SS**  trans177.382.1150.9-97.9-47.7000111.3
545S24.3Very low28.5Very low116 Ų116125.6 Ų125.681%0.81171%0.71SS**  trans-149.551.1-176.767.20000114.7
546T25.4Very low28.1Very low135 Ų135128.1 Ų128.183%0.82872%0.717SS**  trans-147.6111.2174.633.70000111.7
547L26.3Very low27.6Very low143 Ų143124 Ų12475%0.74970%0.698SS**  trans-169.3103.5145.8-103.3-179.1000112.2
548L25.1Very low27.3Very low148 Ų148124.6 Ų124.678%0.77571%0.706SS**  trans31.8104.6150.5-8277.7000122.2
549S24.9Very low27.1Very low106 Ų106124 Ų12474%0.74170%0.702SS**  50.1115.9121.466.70000122.2
550S24.5Very low27.2Very low79 Ų79123 Ų12355%0.55270%0.699SS**  -166.9157115.153.10000112.3
551P29.5Very low27.2Very low90 Ų90121 Ų12158%0.58469%0.688SS**  trans-105.5178.9-154.640.4-38.4000116.9
552T29.2Very low27.5Very low83 Ų83116.7 Ų116.751%0.50967%0.672SS.*  trans76.1136.3170.178.50000118.2K153 I555K153-T552 WeakPolarHBondContact CE-O 3.47Å; K153-T552 PolarHBondContact NZ-O 3.32Å; T552-I555 HydrophobicContact CG2-CD1 3.7Å; T552-I555 HydrophobicContact CG2-CG1 4.06Å
553A29.3Very low27.8Very low71 Ų71113.8 Ų113.859%0.58766%0.657SS**SBendcis-116.778.7-6.900000112.2I555A553-I555 HydrophobicContact CB-CD1 4.48Å; A553-I555 HydrophobicContact CB-CG1 4.33Å
554N27.9Very low28.2Very low167 Ų167112.9 Ų112.989%0.89365%0.65SS**SBend-99.2111.3125.2-83.21.5000103.9
555I24.3Very low28.7Very low104 Ų104109 Ų10953%0.53363%0.629SS.*  trans-121.6108.8175.1-54.7-179.7000106.2T552 A553 P557T552-I555 HydrophobicContact CG2-CD1 3.7Å; T552-I555 HydrophobicContact CG2-CG1 4.06Å; A553-I555 HydrophobicContact CB-CD1 4.48Å; A553-I555 HydrophobicContact CB-CG1 4.33Å; I555-P557 WeakPolarHBondContact O-CD 3.27Å
556H23.5Very low30Very low185 Ų185108.1 Ų108.186%0.85662%0.615SS**  trans-68.5113.9156.6-98.2-80.3000107.1
557P25Very low31.6Very low53 Ų53103.2 Ų103.234%0.34458%0.583SS.*  trans-97.4101.4178.318.41.8000108.3I555 S559 N562I555-P557 WeakPolarHBondContact O-CD 3.27Å; P557-S559 PolarHBondContact O-N 2.73Å; P557-N562 HydrophobicContact CB-CB 3.78Å; P557-N562 WeakPolarHBondContact CB-ND2 3.32Å; P557-N562 HydrophobicContact CG-CB 3.7Å
558T24.1Very low33.1Very low144 Ų14496.6 Ų96.688%0.88355%0.55SS*.  trans-80.357.118054.30000112.1
559S27.2Very low34.4Very low82 Ų8291.4 Ų91.457%0.57353%0.528SS*.SBendtrans-164.4164.2165.163.80000111.1P557 D561P557-S559 PolarHBondContact O-N 2.73Å; S559-D561 VanDerWaalsContact C-N 3.32Å; S559-D561 PolarHBondContact O-N 2.92Å
560N32.1Very low36Very low119 Ų11988.3 Ų88.364%0.63651%0.506SS*.THydrogen-bonded Turntrans-76.7-4.7-157.9-135.46.8000116.3
561D33.5Very low38.2Very low90 Ų9084.7 Ų84.748%0.48148%0.48SS..THydrogen-bonded Turntrans-96.5-29.8-165.6-71-57.9000115.7S559 N563 K564S559-D561 VanDerWaalsContact C-N 3.32Å; S559-D561 PolarHBondContact O-N 2.92Å; D561-N563 VanDerWaalsContact C-N 3.26Å; D561-N563 PolarHBondContact O-N 3.02Å; D561-K564 WeakPolarHBondContact O-CB 3.34Å; D561-K564 PolarHBondContact O-N 3.45Å; D561-K564 IonicContact OD1-NZ 3.73Å; D561-K564 PolarHBondContact OD1-NZ 3.44Å
562N34.7Very low40.2Very low63 Ų6380.9 Ų80.934%0.33746%0.455SS..Hα-helixtrans-59-36.1-176-85.346.8000113.2P557 K564 I565 D566P557-N562 HydrophobicContact CB-CB 3.78Å; P557-N562 WeakPolarHBondContact CB-ND2 3.32Å; P557-N562 HydrophobicContact CG-CB 3.7Å; N562-K564 PolarHBondContact O-N 3.38Å; N562-I565 PolarHBondContact O-N 3.14Å; N562-D566 PolarHBondContact O-N 2.97Å
563N38.3Very low42.3Very low105 Ų10578.8 Ų78.856%0.56144%0.439SS*.Hα-helixtrans-55-26.7177.3-73.4-18.2000113.3D561 I567D561-N563 VanDerWaalsContact C-N 3.26Å; D561-N563 PolarHBondContact O-N 3.02Å; N563-I567 WeakPolarHBondContact O-CB 3.41Å; N563-I567 VanDerWaalsContact O-CD1 3.24Å; N563-I567 WeakPolarHBondContact O-CD1 3.44Å; N563-I567 WeakPolarHBondContact O-CG1 3.33Å; N563-I567 PolarHBondContact O-N 3.08Å
564K36Very low44.8Very low115 Ų11576.2 Ų76.250%0.542%0.415SS..Hα-helixtrans-72.6-35177.7-63169.3-173.7158.80112D561 N562 A568 Y759D561-K564 WeakPolarHBondContact O-CB 3.34Å; D561-K564 PolarHBondContact O-N 3.45Å; D561-K564 IonicContact OD1-NZ 3.73Å; D561-K564 PolarHBondContact OD1-NZ 3.44Å; N562-K564 PolarHBondContact O-N 3.38Å; K564-A568 WeakPolarHBondContact O-CB 3.46Å; K564-A568 PolarHBondContact O-N 2.9Å; K564-Y759 WeakPolarHBondContact O-CE2 3.49Å
565I37.9Very low47.4Very low91 Ų9168.6 Ų68.647%0.46738%0.375SS..Hα-helixtrans-73-50.1-175.5-61.1171.1000110.1N562 I567 A568 A569N562-I565 PolarHBondContact O-N 3.14Å; I565-I567 PolarHBondContact O-N 2.81Å; I565-A568 WeakPolarHBondContact O-CA 3.45Å; I565-A568 VanDerWaalsContact O-CB 3.32Å; I565-A568 WeakPolarHBondContact O-CB 3.32Å; I565-A568 PolarHBondContact O-N 2.83Å; I565-A569 PolarHBondContact O-N 3.26Å
566D52.4Low50.2Low98 Ų9863.8 Ų63.852%0.52435%0.35SS..Hα-helixtrans-61.1-37.4178.9-61-33.3000111.2N562 A569 C570N562-D566 PolarHBondContact O-N 2.97Å; D566-A569 PolarHBondContact O-N 3.29Å; D566-C570 PolarHBondContact O-N 3.32Å; D566-C570 VanDerWaalsContact O-N 3.1Å; D566-C570 PolarHBondContact O-SG 3.41Å
567I57.5Low53.1Low31 Ų3155 Ų5516%0.15931%0.31CS..Hα-helixtrans-67.8-34.1173.8-67.2173.2000112.1I499 T503 N563 I565 K571 Y759I499-I567 HydrophobicContact CG2-CG2 3.39Å; T503-I567 HydrophobicContact CG2-CD1 4.02Å; T503-I567 HydrophobicContact CG2-CG2 4.29Å; N563-I567 WeakPolarHBondContact O-CB 3.41Å; N563-I567 VanDerWaalsContact O-CD1 3.24Å; N563-I567 WeakPolarHBondContact O-CD1 3.44Å; N563-I567 WeakPolarHBondContact O-CG1 3.33Å; N563-I567 PolarHBondContact O-N 3.08Å; I565-I567 PolarHBondContact O-N 2.81Å; I567-K571 HydrophobicContact CG2-CD 4.45Å; I567-K571 WeakPolarHBondContact O-CG 3.4Å; I567-K571 PolarHBondContact O-N 2.94Å; I567-Y759 HydrophobicContact CB-CE2 4.22Å; I567-Y759 HydrophobicContact CG2-CE2 3.79Å; I567-Y759 WeakPolarHBondContact CG2-OH 3.42Å
568A57.5Low56.1Low5 Ų552.5 Ų52.54%0.04129%0.293CS..Hα-helixtrans-65.8-45.2175.500000111.5K564 I565 K571 L572 Y759K564-A568 WeakPolarHBondContact O-CB 3.46Å; K564-A568 PolarHBondContact O-N 2.9Å; I565-A568 WeakPolarHBondContact O-CA 3.45Å; I565-A568 VanDerWaalsContact O-CB 3.32Å; I565-A568 WeakPolarHBondContact O-CB 3.32Å; I565-A568 PolarHBondContact O-N 2.83Å; A568-K571 PolarHBondContact O-N 3.43Å; A568-L572 PolarHBondContact O-N 3.47Å; A568-L572 VanDerWaalsContact O-N 3.13Å; A568-Y759 HydrophobicContact CB-CD2 3.76Å; A568-Y759 HydrophobicContact CB-CE2 4.14Å
569A53.5Low59.1Low38 Ų3846.1 Ų46.131%0.31425%0.254SS..Hα-helixtrans-59.9-51.317700000111.7I565 D566 K571 L572 E573I565-A569 PolarHBondContact O-N 3.26Å; D566-A569 PolarHBondContact O-N 3.29Å; A569-K571 VanDerWaalsContact C-N 3.26Å; A569-K571 PolarHBondContact O-N 2.82Å; A569-L572 WeakPolarHBondContact O-CB 3.49Å; A569-L572 PolarHBondContact O-N 3.49Å; A569-E573 WeakPolarHBondContact O-CG 3.48Å; A569-E573 PolarHBondContact O-N 3.44Å
570C57.6Low62.1Low42 Ų4242.3 Ų42.328%0.28423%0.227SC..Hα-helixtrans-57.4-36.8178.4-65.30000112.8I499 D566 L574I499-C570 HydrophobicContact CD1-CB 4.29Å; D566-C570 PolarHBondContact O-N 3.32Å; D566-C570 VanDerWaalsContact O-N 3.1Å; D566-C570 PolarHBondContact O-SG 3.41Å; C570-L574 WeakPolarHBondContact O-CG 3.32Å; C570-L574 PolarHBondContact O-N 2.96Å
571K71.5Confident64.8Low2 Ų236.7 Ų36.71%0.00920%0.197CC..Hα-helixtrans-65.6-43175.1-74.6174.5-176.61780112I499 I567 A568 A569 L575 Y759 I762I499-K571 HydrophobicContact CG2-CD 4.28Å; I499-K571 VanDerWaalsContact CG2-CE 3.42Å; I499-K571 HydrophobicContact CG2-CG 3.93Å; I567-K571 HydrophobicContact CG2-CD 4.45Å; I567-K571 WeakPolarHBondContact O-CG 3.4Å; I567-K571 PolarHBondContact O-N 2.94Å; A568-K571 PolarHBondContact O-N 3.43Å; A569-K571 VanDerWaalsContact C-N 3.26Å; A569-K571 PolarHBondContact O-N 2.82Å; K571-L575 VanDerWaalsContact O-CB 3.29Å; K571-L575 WeakPolarHBondContact O-CB 3.49Å; K571-L575 PolarHBondContact O-N 2.95Å; K571-Y759 HydrophobicContact CD-CE2 4.41Å; K571-Y759 VanDerWaalsContact NZ-CE1 3.34Å; K571-Y759 VanDerWaalsContact NZ-CZ 3.28Å; K571-I762 HydrophobicContact CB-CD1 4.18Å; K571-I762 HydrophobicContact CD-CD1 4.16Å
572L72.1Confident67.4Low11 Ų1132.5 Ų32.56%0.05817%0.174CC..Hα-helixtrans-62-43.9178.217359.7000111.8A568 A569 L575 I576 L758A568-L572 PolarHBondContact O-N 3.47Å; A568-L572 VanDerWaalsContact O-N 3.13Å; A569-L572 WeakPolarHBondContact O-CB 3.49Å; A569-L572 PolarHBondContact O-N 3.49Å; L572-L575 PolarHBondContact O-N 3.35Å; L572-I576 HydrophobicContact CD1-CD1 3.74Å; L572-I576 HydrophobicContact CD1-CG1 4.18Å; L572-I576 HydrophobicContact CG-CD1 4.01Å; L572-I576 WeakPolarHBondContact O-CB 3.41Å; L572-I576 VanDerWaalsContact O-CG1 3.32Å; L572-I576 WeakPolarHBondContact O-CG1 3.21Å; L572-I576 PolarHBondContact O-N 2.99Å; L572-L758 HydrophobicContact CB-CD1 3.82Å; L572-L758 HydrophobicContact CD1-CD1 3.46Å; L572-L758 VanDerWaalsContact CD1-CD1 3.46Å; L572-L758 HydrophobicContact CG-CD1 4.18Å
573E73.4Confident69.9Low38 Ų3829.7 Ų29.718%0.17816%0.16CC..Hα-helixtrans-64.3-46.7-179.1-65.5171.7143.300112K433 A569 I576 A577K433-E573 WeakPolarHBondContact CA-OE1 3.17Å; K433-E573 HydrophobicContact CB-CG 3.78Å; K433-E573 VanDerWaalsContact CB-OE1 3.29Å; K433-E573 WeakPolarHBondContact CB-OE1 3.33Å; K433-E573 HydrophobicContact CD-CG 4.43Å; K433-E573 HydrophobicContact CG-CG 4.11Å; K433-E573 PolarHBondContact N-OE1 3.08Å; A569-E573 WeakPolarHBondContact O-CG 3.48Å; A569-E573 PolarHBondContact O-N 3.44Å; E573-I576 PolarHBondContact O-N 3.25Å; E573-A577 PolarHBondContact O-N 3.35Å
574L81.8Confident72.2Confident17 Ų1724.8 Ų24.89%0.08913%0.133CC..Hα-helixtrans-66.3-36.9176.8-68.9170.8000112.2L436 W491 I492 I496 I499 C570 A577 L578L436-L574 HydrophobicContact CD2-CD2 4.3Å; W491-L574 HydrophobicContact CH2-CD2 4.44Å; I492-L574 HydrophobicContact CG1-CD2 4.27Å; I492-L574 HydrophobicContact CG2-CB 4.15Å; I492-L574 HydrophobicContact CG2-CD2 4.19Å; I492-L574 WeakPolarHBondContact CG2-O 3.36Å; I496-L574 HydrophobicContact CD1-CB 3.94Å; I496-L574 HydrophobicContact CG1-CB 3.63Å; I496-L574 HydrophobicContact CG1-CD1 3.99Å; I496-L574 HydrophobicContact CG1-CG 4.45Å; I499-L574 HydrophobicContact CD1-CD1 3.65Å; C570-L574 WeakPolarHBondContact O-CG 3.32Å; C570-L574 PolarHBondContact O-N 2.96Å; L574-A577 PolarHBondContact O-N 3.48Å; L574-L578 WeakPolarHBondContact O-CB 3.41Å; L574-L578 PolarHBondContact O-N 3.26Å
575L81Confident74.3Confident8 Ų819.3 Ų19.34%0.04211%0.109CC..Hα-helixtrans-64.1-43.7174.5-169.871.9000111.4K571 L572 A577 L578 N579 L758 R780 L784K571-L575 VanDerWaalsContact O-CB 3.29Å; K571-L575 WeakPolarHBondContact O-CB 3.49Å; K571-L575 PolarHBondContact O-N 2.95Å; L572-L575 PolarHBondContact O-N 3.35Å; L575-A577 VanDerWaalsContact C-N 3.34Å; L575-A577 PolarHBondContact O-N 3.05Å; L575-L578 PolarHBondContact O-N 2.95Å; L575-N579 VanDerWaalsContact O-CG 3.25Å; L575-N579 PolarHBondContact O-N 3.49Å; L575-N579 PolarHBondContact O-OD1 3Å; L575-L758 HydrophobicContact CD2-CD1 3.87Å; L575-L758 HydrophobicContact CD2-CD2 4.02Å; L575-R780 HydrophobicContact CD2-CB 4.44Å; L575-L784 HydrophobicContact CD1-CD2 3.61Å
576I82.9Confident76.1Confident2 Ų216.3 Ų16.31%0.019%0.092CC..Hα-helixtrans-60-44.1174.8-75.9170000111.3K433 I437 L572 E573 N579 L580 E719K433-I576 VanDerWaalsContact CE-CD1 3.43Å; K433-I576 VanDerWaalsContact NZ-CD1 3.32Å; I437-I576 HydrophobicContact CD1-CG2 4.44Å; L572-I576 HydrophobicContact CD1-CD1 3.74Å; L572-I576 HydrophobicContact CD1-CG1 4.18Å; L572-I576 HydrophobicContact CG-CD1 4.01Å; L572-I576 WeakPolarHBondContact O-CB 3.41Å; L572-I576 VanDerWaalsContact O-CG1 3.32Å; L572-I576 WeakPolarHBondContact O-CG1 3.21Å; L572-I576 PolarHBondContact O-N 2.99Å; E573-I576 PolarHBondContact O-N 3.25Å; I576-N579 WeakPolarHBondContact O-CB 3.45Å; I576-N579 PolarHBondContact O-N 3.4Å; I576-L580 HydrophobicContact CG2-CD1 4.23Å; I576-L580 WeakPolarHBondContact O-CG 3.44Å; I576-L580 PolarHBondContact O-N 3.14Å; I576-E719 HydrophobicContact CD1-CB 4.32Å; I576-E719 HydrophobicContact CD1-CG 4.17Å; I576-E719 WeakPolarHBondContact CD1-OE2 3.39Å; I576-E719 HydrophobicContact CG1-CB 4.49Å; I576-E719 HydrophobicContact CG1-CG 4.01Å; I576-E719 HydrophobicContact CG2-CB 3.65Å; I576-E719 HydrophobicContact CG2-CG 3.83Å
577A85.1Confident77.1Confident2 Ų211.9 Ų11.92%0.0177%0.069CC..Hα-helixtrans-61.9-44.117800000112.2L436 L440 I492 E573 L574 L575 L580 L581L436-A577 HydrophobicContact CD1-CB 3.96Å; L436-A577 HydrophobicContact CD2-CB 3.55Å; L436-A577 HydrophobicContact CG-CB 3.7Å; L440-A577 HydrophobicContact CD1-CB 3.78Å; I492-A577 HydrophobicContact CD1-CB 3.84Å; E573-A577 PolarHBondContact O-N 3.35Å; L574-A577 PolarHBondContact O-N 3.48Å; L575-A577 VanDerWaalsContact C-N 3.34Å; L575-A577 PolarHBondContact O-N 3.05Å; A577-L580 PolarHBondContact O-N 3.35Å; A577-L581 WeakPolarHBondContact O-CD1 3.45Å; A577-L581 WeakPolarHBondContact O-CG 3.41Å; A577-L581 PolarHBondContact O-N 3.04Å; A577-L581 VanDerWaalsContact O-N 3.1Å
578L87.7Confident77.1Confident0 Ų014.9 Ų14.90%09%0.085CC..Hα-helixtrans-63-42176.4-163.664.5000111.7I489 I492 T493 I496 L574 L575 L581 F582 F622 L784I489-L578 HydrophobicContact CG2-CD1 4.06Å; I492-L578 HydrophobicContact CG2-CB 3.98Å; I492-L578 HydrophobicContact CG2-CD1 4.11Å; T493-L578 HydrophobicContact CG2-CD1 3.87Å; T493-L578 HydrophobicContact CG2-CD2 3.98Å; I496-L578 HydrophobicContact CD1-CD2 4.35Å; L574-L578 WeakPolarHBondContact O-CB 3.41Å; L574-L578 PolarHBondContact O-N 3.26Å; L575-L578 PolarHBondContact O-N 2.95Å; L578-L581 PolarHBondContact O-N 3.44Å; L578-F582 HydrophobicContact CD1-CD2 4.13Å; L578-F582 HydrophobicContact CD1-CE2 3.71Å; L578-F582 HydrophobicContact CD2-CE2 4.43Å; L578-F582 HydrophobicContact CG-CD2 3.93Å; L578-F582 HydrophobicContact CG-CE2 3.83Å; L578-F582 WeakPolarHBondContact O-CD2 3.46Å; L578-F582 PolarHBondContact O-N 2.82Å; L578-F622 HydrophobicContact CD2-CD1 4.46Å; L578-F622 HydrophobicContact CD2-CE1 3.71Å; L578-L784 HydrophobicContact CD2-CD1 4.1Å; L578-L784 HydrophobicContact CD2-CD2 4.16Å; L578-L784 HydrophobicContact CG-CD1 4.01Å
579N87.8Confident77.3Confident10 Ų1017.1 Ų17.15%0.0539%0.092CC..Hα-helixtrans-58.8-48175.5-74.215.8000112L575 I576 L581 F582 L583 R780 L784L575-N579 VanDerWaalsContact O-CG 3.25Å; L575-N579 PolarHBondContact O-N 3.49Å; L575-N579 PolarHBondContact O-OD1 3Å; I576-N579 WeakPolarHBondContact O-CB 3.45Å; I576-N579 PolarHBondContact O-N 3.4Å; N579-L581 VanDerWaalsContact C-N 3.33Å; N579-L581 PolarHBondContact O-N 2.84Å; N579-F582 PolarHBondContact O-N 3.31Å; N579-L583 VanDerWaalsContact O-CB 3.22Å; N579-L583 WeakPolarHBondContact O-CB 3.43Å; N579-L583 PolarHBondContact O-N 3.39Å; N579-R780 PolarHBondContact ND2-O 3.23Å; N579-L784 VanDerWaalsContact OD1-CB 3.26Å; N579-L784 WeakPolarHBondContact OD1-CB 3.31Å
580L88.9Confident77.7Confident2 Ų215.3 Ų15.31%0.018%0.078CC..Hα-helixtrans-63.7-38.6179.9-68.4172.8000111.8L440 F444 I576 A577 L583 W584 I720 L723 L729L440-L580 HydrophobicContact CD1-CB 4.28Å; L440-L580 HydrophobicContact CD1-CD1 4.32Å; F444-L580 HydrophobicContact CE2-CB 4.08Å; F444-L580 HydrophobicContact CZ-CB 4.16Å; F444-L580 WeakPolarHBondContact CZ-O 3.41Å; I576-L580 HydrophobicContact CG2-CD1 4.23Å; I576-L580 WeakPolarHBondContact O-CG 3.44Å; I576-L580 PolarHBondContact O-N 3.14Å; A577-L580 PolarHBondContact O-N 3.35Å; L580-L583 PolarHBondContact O-N 3.07Å; L580-W584 PolarHBondContact O-N 2.88Å; L580-I720 HydrophobicContact CD2-CD1 3.84Å; L580-L723 HydrophobicContact CD1-CD1 4.06Å; L580-L723 HydrophobicContact CD2-CD1 3.9Å; L580-L729 HydrophobicContact CD2-CD1 4.09Å
581L90.3Very high77.4Confident0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-62.8-50175.2-77.4158.6000111.8L440 F444 T485 L488 I489 I492 A577 L578 N579 L583 W584 F585L440-L581 HydrophobicContact CD2-CD1 4.03Å; L440-L581 HydrophobicContact CD2-CD2 3.93Å; L440-L581 HydrophobicContact CD2-CG 3.91Å; F444-L581 HydrophobicContact CE1-CD2 3.99Å; F444-L581 HydrophobicContact CZ-CD2 4.18Å; F444-L581 HydrophobicContact CZ-CG 4.29Å; T485-L581 HydrophobicContact CG2-CD2 4.12Å; L488-L581 HydrophobicContact CB-CD1 4.42Å; I489-L581 HydrophobicContact CD1-CB 4.3Å; I489-L581 HydrophobicContact CG1-CB 4.05Å; I489-L581 HydrophobicContact CG1-CD1 3.9Å; I489-L581 HydrophobicContact CG1-CD2 4.44Å; I489-L581 HydrophobicContact CG1-CG 4.36Å; I492-L581 HydrophobicContact CD1-CD1 3.46Å; I492-L581 VanDerWaalsContact CD1-CD1 3.46Å; A577-L581 WeakPolarHBondContact O-CD1 3.45Å; A577-L581 WeakPolarHBondContact O-CG 3.41Å; A577-L581 PolarHBondContact O-N 3.04Å; A577-L581 VanDerWaalsContact O-N 3.1Å; L578-L581 PolarHBondContact O-N 3.44Å; N579-L581 VanDerWaalsContact C-N 3.33Å; N579-L581 PolarHBondContact O-N 2.84Å; L581-L583 VanDerWaalsContact C-N 3.34Å; L581-L583 PolarHBondContact O-N 3.41Å; L581-W584 PolarHBondContact O-N 3.27Å; L581-F585 WeakPolarHBondContact O-CD2 3.38Å; L581-F585 PolarHBondContact O-N 2.92Å
582F87.4Confident76.2Confident2 Ų218.8 Ų18.81%0.0099%0.092CC..Hα-helixtrans-67-32.7177.1-80.9-69.6000113.3I489 L578 N579 L623 L784 A788 V791I489-F582 HydrophobicContact CG2-CZ 4.42Å; L578-F582 HydrophobicContact CD1-CD2 4.13Å; L578-F582 HydrophobicContact CD1-CE2 3.71Å; L578-F582 HydrophobicContact CD2-CE2 4.43Å; L578-F582 HydrophobicContact CG-CD2 3.93Å; L578-F582 HydrophobicContact CG-CE2 3.83Å; L578-F582 WeakPolarHBondContact O-CD2 3.46Å; L578-F582 PolarHBondContact O-N 2.82Å; N579-F582 PolarHBondContact O-N 3.31Å; F582-L623 HydrophobicContact CE2-CD1 4.42Å; F582-L623 HydrophobicContact CE2-CD2 4.08Å; F582-L623 HydrophobicContact CZ-CD1 3.81Å; F582-L623 HydrophobicContact CZ-CD2 4.23Å; F582-L784 HydrophobicContact CD2-CD1 3.59Å; F582-L784 HydrophobicContact CE2-CD1 4.18Å; F582-L784 HydrophobicContact CG-CD1 4.39Å; F582-A788 HydrophobicContact CD1-CB 4.24Å; F582-A788 HydrophobicContact CE1-CB 4.22Å; F582-A788 HydrophobicContact CZ-CB 4.45Å; F582-V791 HydrophobicContact CD1-CB 4.12Å; F582-V791 HydrophobicContact CD1-CG2 3.74Å; F582-V791 HydrophobicContact CE1-CB 4.17Å; F582-V791 HydrophobicContact CE1-CG1 4.29Å; F582-V791 HydrophobicContact CE1-CG2 4.22Å
583L86.4Confident74.6Confident5 Ų524.4 Ų24.43%0.02612%0.122CC..Hα-helixtrans-68.3-34.3175.9-172.762.9000112N579 L580 L581 R586 S587 I709 W711 I720N579-L583 VanDerWaalsContact O-CB 3.22Å; N579-L583 WeakPolarHBondContact O-CB 3.43Å; N579-L583 PolarHBondContact O-N 3.39Å; L580-L583 PolarHBondContact O-N 3.07Å; L581-L583 VanDerWaalsContact C-N 3.34Å; L581-L583 PolarHBondContact O-N 3.41Å; L583-R586 CarbonylContact O-C 3.56Å; L583-R586 WeakPolarHBondContact O-CA 3.2Å; L583-R586 WeakPolarHBondContact O-CB 3.36Å; L583-R586 PolarHBondContact O-N 2.92Å; L583-R586 VanDerWaalsContact O-N 3.08Å; L583-S587 PolarHBondContact O-N 3.13Å; L583-I709 HydrophobicContact CD1-CD1 3.96Å; L583-W711 HydrophobicContact CD1-CH2 4.48Å; L583-W711 HydrophobicContact CD2-CH2 4.05Å; L583-W711 HydrophobicContact CD2-CZ3 4.15Å; L583-W711 HydrophobicContact CG-CH2 4.49Å; L583-I720 HydrophobicContact CD2-CD1 3.94Å
584W87.3Confident72.7Confident2 Ų228.4 Ų28.41%0.00815%0.145CC..Hα-helixtrans-62.3-42.7175.7177.976.4000112.9F444 T447 L482 T485 L580 L581 R586 S587 F590 L729F444-W584 HydrophobicContact CD1-CB 3.84Å; F444-W584 AromaticContact CD1-CD1 3.5Å; F444-W584 VanDerWaalsContact CD1-CD1 3.5Å; F444-W584 AromaticContact CD1-CD2 3.92Å; F444-W584 HydrophobicContact CD1-CD2 3.92Å; F444-W584 AromaticContact CD1-CG 3.45Å; F444-W584 HydrophobicContact CD1-CG 3.45Å; F444-W584 VanDerWaalsContact CD1-CG 3.45Å; F444-W584 AromaticContact CD1-NE1 3.94Å; F444-W584 HydrophobicContact CE1-CB 3.48Å; F444-W584 VanDerWaalsContact CE1-CB 3.48Å; F444-W584 HydrophobicContact CE1-CD2 4.13Å; F444-W584 AromaticContact CE1-CG 3.6Å; F444-W584 HydrophobicContact CE1-CG 3.6Å; F444-W584 HydrophobicContact CG-CG 4.34Å; F444-W584 HydrophobicContact CZ-CB 4.09Å; T447-W584 HydrophobicContact CG2-CH2 3.49Å; T447-W584 VanDerWaalsContact CG2-CH2 3.49Å; T447-W584 HydrophobicContact CG2-CZ2 3.45Å; T447-W584 VanDerWaalsContact CG2-CZ2 3.45Å; L482-W584 HydrophobicContact CD2-CH2 4.05Å; T485-W584 HydrophobicContact CG2-CE3 4.44Å; T485-W584 HydrophobicContact CG2-CZ3 4.14Å; L580-W584 PolarHBondContact O-N 2.88Å; L581-W584 PolarHBondContact O-N 3.27Å; W584-R586 PolarHBondContact O-N 3.47Å; W584-S587 VanDerWaalsContact O-CB 3.28Å; W584-S587 WeakPolarHBondContact O-CB 3.19Å; W584-S587 PolarHBondContact O-N 3.3Å; W584-S587 PolarHBondContact O-OG 3.49Å; W584-F590 HydrophobicContact CE3-CE2 4.45Å; W584-F590 HydrophobicContact CH2-CE2 4.24Å; W584-F590 AromaticContact CH2-CZ 3.61Å; W584-F590 HydrophobicContact CH2-CZ 3.61Å; W584-F590 HydrophobicContact CZ2-CE2 4.42Å; W584-F590 AromaticContact CZ2-CZ 3.99Å; W584-F590 HydrophobicContact CZ2-CZ 3.99Å; W584-F590 HydrophobicContact CZ3-CE2 4.25Å; W584-F590 AromaticContact CZ3-CZ 3.93Å; W584-F590 HydrophobicContact CZ3-CZ 3.93Å; W584-L729 HydrophobicContact CB-CD2 3.64Å; W584-L729 HydrophobicContact CG-CD2 4.23Å
585F80.2Confident70.6Confident0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-58.5-28.3172.3-83.1-88.6000113.1T485 I489 L581 S587 F590 F608 Y790 V791 F795 L798T485-F585 HydrophobicContact CG2-CE2 3.85Å; T485-F585 HydrophobicContact CG2-CZ 4.14Å; I489-F585 HydrophobicContact CD1-CE2 3.87Å; L581-F585 WeakPolarHBondContact O-CD2 3.38Å; L581-F585 PolarHBondContact O-N 2.92Å; F585-S587 VanDerWaalsContact C-N 3.33Å; F585-F590 WeakPolarHBondContact O-CD2 3.16Å; F585-F608 HydrophobicContact CD1-CZ 4.45Å; F585-F608 HydrophobicContact CE1-CE1 4.3Å; F585-F608 AromaticContact CE1-CE2 3.72Å; F585-F608 HydrophobicContact CE1-CE2 3.72Å; F585-F608 AromaticContact CE1-CZ 3.42Å; F585-F608 HydrophobicContact CE1-CZ 3.42Å; F585-F608 VanDerWaalsContact CE1-CZ 3.42Å; F585-F608 HydrophobicContact CZ-CE1 4.44Å; F585-F608 AromaticContact CZ-CZ 3.93Å; F585-F608 HydrophobicContact CZ-CZ 3.93Å; F585-Y790 WeakPolarHBondContact O-CE1 3.21Å; F585-V791 HydrophobicContact CB-CG2 3.38Å; F585-V791 HydrophobicContact CD1-CG2 4.12Å; F585-V791 HydrophobicContact CD2-CG2 4.11Å; F585-V791 HydrophobicContact CG-CG2 3.65Å; F585-F795 HydrophobicContact CB-CE2 4.47Å; F585-F795 AromaticContact CD1-CD2 3.9Å; F585-F795 HydrophobicContact CD1-CD2 3.9Å; F585-F795 AromaticContact CD1-CE2 3.72Å; F585-F795 HydrophobicContact CD1-CE2 3.72Å; F585-F795 HydrophobicContact CD1-CZ 4.45Å; F585-F795 HydrophobicContact CE1-CD2 4.42Å; F585-L798 HydrophobicContact CE1-CD1 3.76Å; F585-L798 HydrophobicContact CZ-CD1 4.11Å
586R76.5Confident68.6Low28 Ų2836 Ų3611%0.10622%0.217CC..THydrogen-bonded Turntrans-88.53.3180-171.6169.8147.593.21.5113.1L583 W584 A707 P708 I709 Y790L583-R586 CarbonylContact O-C 3.56Å; L583-R586 WeakPolarHBondContact O-CA 3.2Å; L583-R586 WeakPolarHBondContact O-CB 3.36Å; L583-R586 PolarHBondContact O-N 2.92Å; L583-R586 VanDerWaalsContact O-N 3.08Å; W584-R586 PolarHBondContact O-N 3.47Å; R586-A707 PolarHBondContact NH1-O 3.29Å; R586-A707 PolarHBondContact NH2-O 3.11Å; R586-P708 PolarHBondContact NH2-O 2.97Å; R586-P708 VanDerWaalsContact NH2-O 3.12Å; R586-I709 HydrophobicContact CG-CD1 4.31Å; R586-I709 HydrophobicContact CG-CG1 4.46Å; R586-Y790 HydrophobicContact CB-CD1 3.79Å; R586-Y790 HydrophobicContact CB-CE1 4.04Å; R586-Y790 HydrophobicContact CB-CG 4.12Å; R586-Y790 HydrophobicContact CG-CD1 4.01Å; R586-Y790 HydrophobicContact CG-CD2 3.93Å; R586-Y790 HydrophobicContact CG-CE1 4.27Å; R586-Y790 HydrophobicContact CG-CE2 4.15Å; R586-Y790 HydrophobicContact CG-CG 3.84Å
587S72.4Confident66.7Low5 Ų539.4 Ų39.44%0.03524%0.235CC..SBendtrans-70.8150.1170.571.70000111.6L583 W584 F585 R589L583-S587 PolarHBondContact O-N 3.13Å; W584-S587 VanDerWaalsContact O-CB 3.28Å; W584-S587 WeakPolarHBondContact O-CB 3.19Å; W584-S587 PolarHBondContact O-N 3.3Å; W584-S587 PolarHBondContact O-OG 3.49Å; F585-S587 VanDerWaalsContact C-N 3.33Å; S587-R589 PolarHBondContact O-N 2.66Å
588N57.7Low65Low94 Ų9446.6 Ų46.650%0.50327%0.266SS..THydrogen-bonded Turntrans-64.37.5-178.7-61.8-1.1000114.4F590 T591 L730N588-F590 VanDerWaalsContact C-N 3.34Å; N588-T591 VanDerWaalsContact O-O 3.06Å; N588-L730 HydrophobicContact CB-CD1 4.24Å
589R62Low63.2Low51 Ų5149.7 Ų49.719%0.19229%0.288CS..THydrogen-bonded Turntrans-76-23.2-178.5-61.8-178.4-179.4-88.12.5112.3D448 L451 K455 S587 Q727D448-R589 WeakPolarHBondContact OD1-CD 3.39Å; D448-R589 IonicContact OD1-CZ 2.71Å; D448-R589 IonicContact OD1-NE 2.82Å; D448-R589 PolarHBondContact OD1-NE 2.89Å; D448-R589 IonicContact OD1-NH1 2.8Å; D448-R589 PolarHBondContact OD1-NH1 3.27Å; D448-R589 IonicContact OD1-NH2 2.85Å; D448-R589 IonicContact OD2-CZ 2.62Å; D448-R589 IonicContact OD2-NE 2.71Å; D448-R589 IonicContact OD2-NH1 3.63Å; D448-R589 PolarHBondContact OD2-NH1 3.44Å; D448-R589 VanDerWaalsContact OD2-NH1 3.09Å; D448-R589 IonicContact OD2-NH2 3.29Å; D448-R589 PolarHBondContact OD2-NH2 2.89Å; D448-R589 VanDerWaalsContact OD2-NH2 3.08Å; L451-R589 HydrophobicContact CD2-CB 4.46Å; K455-R589 WeakPolarHBondContact CE-O 3.35Å; K455-R589 PolarHBondContact NZ-O 3.27Å; S587-R589 PolarHBondContact O-N 2.66Å; R589-Q727 PolarHBondContact NH2-O 3.28Å
590F61.2Low61.5Low1 Ų149.9 Ų49.90%0.00429%0.29CS..SBendtrans-92.9-29.1174.1-58.8-68.7000113.2L451 W584 F585 N588 S600 C601 T604 F795L451-F590 HydrophobicContact CD2-CD1 4.46Å; L451-F590 HydrophobicContact CD2-CE1 3.76Å; L451-F590 HydrophobicContact CD2-CZ 4.04Å; W584-F590 HydrophobicContact CE3-CE2 4.45Å; W584-F590 HydrophobicContact CH2-CE2 4.24Å; W584-F590 AromaticContact CH2-CZ 3.61Å; W584-F590 HydrophobicContact CH2-CZ 3.61Å; W584-F590 HydrophobicContact CZ2-CE2 4.42Å; W584-F590 AromaticContact CZ2-CZ 3.99Å; W584-F590 HydrophobicContact CZ2-CZ 3.99Å; W584-F590 HydrophobicContact CZ3-CE2 4.25Å; W584-F590 AromaticContact CZ3-CZ 3.93Å; W584-F590 HydrophobicContact CZ3-CZ 3.93Å; F585-F590 WeakPolarHBondContact O-CD2 3.16Å; N588-F590 VanDerWaalsContact C-N 3.34Å; F590-S600 WeakPolarHBondContact O-CB 3.32Å; F590-S600 PolarHBondContact O-OG 3.3Å; F590-C601 PolarHBondContact O-SG 2.77Å; F590-T604 HydrophobicContact CD1-CG2 3.48Å; F590-T604 VanDerWaalsContact CD1-CG2 3.48Å; F590-T604 HydrophobicContact CE1-CG2 3.57Å; F590-F795 HydrophobicContact CB-CZ 3.91Å; F590-F795 HydrophobicContact CD1-CZ 4.35Å; F590-F795 HydrophobicContact CD2-CZ 4.31Å; F590-F795 AromaticContact CG-CZ 3.91Å; F590-F795 HydrophobicContact CG-CZ 3.91Å
591T50.7Low59.9Low31 Ų3151.3 Ų51.319%0.1930%0.3CS..  trans-104.3102179.853.20000111.9N588 N593 Y790N588-T591 VanDerWaalsContact O-O 3.06Å; T591-N593 PolarHBondContact O-N 3.29Å; T591-Y790 WeakPolarHBondContact CG2-OH 3.39Å
592E46.3Very low58.4Low85 Ų8556.3 Ų56.340%0.39732%0.323SS..  trans-68112161.1-70.9-179.5177.800108.8N594 N597E592-N594 PolarHBondContact O-N 3.43Å; E592-N597 HydrophobicContact CB-CB 4.48Å; E592-N597 PolarHBondContact OE2-ND2 2.99Å
593N39.4Very low57.1Low129 Ų12958 Ų5869%0.6933%0.332SS*.SBendtrans-68.39.8-176.6-79.8-1.1000114.8T591 A595T591-N593 PolarHBondContact O-N 3.29Å; N593-A595 PolarHBondContact O-N 2.88Å
594N34Very low56Low123 Ų12358.4 Ų58.466%0.65833%0.334SS*.SBendtrans-73.6106.6163.8-73.1-20.6000108.6E592 G596 N597E592-N594 PolarHBondContact O-N 3.43Å; N594-G596 PolarHBondContact O-N 3.26Å; N594-N597 PolarHBondContact O-N 2.83Å
595A37.8Very low55Low118 Ų11859.3 Ų59.398%0.97534%0.339SS*.THydrogen-bonded Turntrans-60.17-169.200000117.4N593N593-A595 PolarHBondContact O-N 2.88Å
596G38.4Very low54.2Low65 Ų6565 Ų6567%0.6736%0.364SS*.THydrogen-bonded Turntrans-101.4-21.6168.900000115.3N594 K598N594-G596 PolarHBondContact O-N 3.26Å; G596-K598 PolarHBondContact O-N 2.84Å
597N44Very low53.7Low74 Ų7464.8 Ų64.840%0.39637%0.365SS..  trans-85.365.2-168.3-92.15000114.1E592 N594 S599 S600E592-N597 HydrophobicContact CB-CB 4.48Å; E592-N597 PolarHBondContact OE2-ND2 2.99Å; N594-N597 PolarHBondContact O-N 2.83Å; N597-S599 PolarHBondContact O-N 2.75Å; N597-S600 PolarHBondContact O-N 2.92Å
598K48.4Very low53.5Low154 Ų15464.6 Ų64.667%0.6736%0.364SS*.THydrogen-bonded Turntrans-56.7-16.7164.9-73.5-179.8177.2173.20113.1G596 Q602G596-K598 PolarHBondContact O-N 2.84Å; K598-Q602 WeakPolarHBondContact O-CB 3.39Å; K598-Q602 WeakPolarHBondContact O-CG 3.4Å; K598-Q602 PolarHBondContact O-N 2.78Å
599S49.6Very low54Low65 Ų6566 Ų6646%0.45537%0.367SS..Hα-helixtrans-60-39.8179.947.20000114.8N597 L603N597-S599 PolarHBondContact O-N 2.75Å; S599-L603 WeakPolarHBondContact O-CB 3.48Å; S599-L603 PolarHBondContact O-N 2.73Å
600S52.4Low54Low14 Ų1467 Ų6710%0.09838%0.376CS..Hα-helixtrans-65.9-57.5-173.8-177.50000111.6F590 N597 Q602 L603 T604F590-S600 WeakPolarHBondContact O-CB 3.32Å; F590-S600 PolarHBondContact O-OG 3.3Å; N597-S600 PolarHBondContact O-N 2.92Å; S600-Q602 VanDerWaalsContact C-N 3.31Å; S600-Q602 PolarHBondContact O-N 3.47Å; S600-L603 PolarHBondContact O-N 3.15Å; S600-L603 VanDerWaalsContact O-N 3.07Å; S600-T604 PolarHBondContact O-N 3.04Å; S600-T604 PolarHBondContact O-OG1 3.3Å
601C55.1Low54.1Low31 Ų3167.1 Ų67.121%0.20938%0.377CS..Hα-helixtrans-60.5-39.7177.7-540000112.1F590 L603 T604 D605 V794F590-C601 PolarHBondContact O-SG 2.77Å; C601-L603 VanDerWaalsContact C-N 3.3Å; C601-L603 PolarHBondContact O-N 3.23Å; C601-T604 PolarHBondContact O-N 3.3Å; C601-D605 WeakPolarHBondContact O-CB 3.16Å; C601-D605 PolarHBondContact O-N 3.3Å; C601-V794 HydrophobicContact CB-CG1 4.29Å
602Q59.6Low54.7Low106 Ų10666.5 Ų66.550%0.49537%0.373SS..Hα-helixtrans-63.7-32.6175.9-75.9179.92.900113.1K598 S600 K606K598-Q602 WeakPolarHBondContact O-CB 3.39Å; K598-Q602 WeakPolarHBondContact O-CG 3.4Å; K598-Q602 PolarHBondContact O-N 2.78Å; S600-Q602 VanDerWaalsContact C-N 3.31Å; S600-Q602 PolarHBondContact O-N 3.47Å; Q602-K606 WeakPolarHBondContact O-CB 3.36Å; Q602-K606 WeakPolarHBondContact O-CD 3.38Å; Q602-K606 WeakPolarHBondContact O-CG 3.39Å; Q602-K606 PolarHBondContact O-N 3.23Å; Q602-K606 VanDerWaalsContact O-N 3.1Å
603L59.2Low55.5Low38 Ų3864 Ų6420%0.19936%0.364CS..Hα-helixtrans-73.2-42.2174.9-17564.9000110.9L458 S599 S600 C601 K606 L607L458-L603 HydrophobicContact CD1-CD2 3.6Å; L458-L603 HydrophobicContact CD2-CD2 3.71Å; L458-L603 HydrophobicContact CG-CD2 3.64Å; S599-L603 WeakPolarHBondContact O-CB 3.48Å; S599-L603 PolarHBondContact O-N 2.73Å; S600-L603 PolarHBondContact O-N 3.15Å; S600-L603 VanDerWaalsContact O-N 3.07Å; C601-L603 VanDerWaalsContact C-N 3.3Å; C601-L603 PolarHBondContact O-N 3.23Å; L603-K606 PolarHBondContact O-N 2.96Å; L603-L607 HydrophobicContact CG-CD1 4.29Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.4Å; L603-L607 PolarHBondContact O-N 3.07Å
604T63.8Low56.9Low12 Ų1260.9 Ų60.97%0.07435%0.35CS..Hα-helixtrans-64.5-44.5176.2-48.30000112F590 S600 C601 K606 L607 F608 F795F590-T604 HydrophobicContact CD1-CG2 3.48Å; F590-T604 VanDerWaalsContact CD1-CG2 3.48Å; F590-T604 HydrophobicContact CE1-CG2 3.57Å; S600-T604 PolarHBondContact O-N 3.04Å; S600-T604 PolarHBondContact O-OG1 3.3Å; C601-T604 PolarHBondContact O-N 3.3Å; T604-K606 VanDerWaalsContact C-N 3.33Å; T604-K606 PolarHBondContact O-N 3.48Å; T604-L607 PolarHBondContact O-N 2.92Å; T604-L607 VanDerWaalsContact O-N 3.12Å; T604-F608 HydrophobicContact CG2-CD2 3.86Å; T604-F608 HydrophobicContact CG2-CE2 3.51Å; T604-F608 HydrophobicContact CG2-CZ 4.43Å; T604-F608 VanDerWaalsContact O-CD2 3.24Å; T604-F608 WeakPolarHBondContact O-CD2 3.48Å; T604-F608 PolarHBondContact O-N 2.74Å; T604-F795 HydrophobicContact CG2-CE1 3.89Å
605D65.7Low58.9Low21 Ų2155.5 Ų55.511%0.11232%0.321CS..Hα-helixtrans-61-41.2175.1-172.377.6000111.1C601 L607 F608 Q609 F795 S797C601-D605 WeakPolarHBondContact O-CB 3.16Å; C601-D605 PolarHBondContact O-N 3.3Å; D605-L607 PolarHBondContact O-N 3.24Å; D605-F608 PolarHBondContact O-N 2.83Å; D605-Q609 VanDerWaalsContact O-CG 3.3Å; D605-Q609 WeakPolarHBondContact O-CG 3.16Å; D605-Q609 PolarHBondContact O-N 3.08Å; D605-Q609 PolarHBondContact OD2-NE2 2.96Å; D605-F795 HydrophobicContact CB-CD1 4.32Å; D605-F795 WeakPolarHBondContact OD1-CA 3.11Å; D605-S797 WeakPolarHBondContact OD1-CB 3.3Å; D605-S797 PolarHBondContact OD1-N 3.1Å; D605-S797 PolarHBondContact OD1-OG 3.37Å; D605-S797 PolarHBondContact OD2-OG 3.5Å
606K64.3Low60.8Low120 Ų12052.5 Ų52.552%0.52229%0.29SS..Hα-helixtrans-62.7-38.6170.9-77.2170.6-178.1175.60113.6Q602 L603 T604 F608 Q609 L610Q602-K606 WeakPolarHBondContact O-CB 3.36Å; Q602-K606 WeakPolarHBondContact O-CD 3.38Å; Q602-K606 WeakPolarHBondContact O-CG 3.39Å; Q602-K606 PolarHBondContact O-N 3.23Å; Q602-K606 VanDerWaalsContact O-N 3.1Å; L603-K606 PolarHBondContact O-N 2.96Å; T604-K606 VanDerWaalsContact C-N 3.33Å; T604-K606 PolarHBondContact O-N 3.48Å; K606-F608 VanDerWaalsContact C-N 3.34Å; K606-Q609 PolarHBondContact O-N 3.09Å; K606-L610 WeakPolarHBondContact O-CB 3.41Å; K606-L610 PolarHBondContact O-N 3.38Å
607L65.1Low62.5Low24 Ų2454.5 Ų54.513%0.12628%0.282CS..Hα-helixtrans-66.3-38.1175.6-73.6168.3000111.3F461 L603 T604 D605 L610 V611F461-L607 HydrophobicContact CD1-CD2 3.9Å; F461-L607 HydrophobicContact CE1-CD2 3.6Å; L603-L607 HydrophobicContact CG-CD1 4.29Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.4Å; L603-L607 PolarHBondContact O-N 3.07Å; T604-L607 PolarHBondContact O-N 2.92Å; T604-L607 VanDerWaalsContact O-N 3.12Å; D605-L607 PolarHBondContact O-N 3.24Å; L607-L610 PolarHBondContact O-N 3.12Å; L607-V611 WeakPolarHBondContact O-CB 3.45Å; L607-V611 WeakPolarHBondContact O-CG2 3.43Å; L607-V611 PolarHBondContact O-N 3.17Å
608F69.3Low63.9Low1 Ų155.1 Ų55.10%0.00429%0.285CS..Hα-helixtrans-64.2-48.5172.2-79.1-56.4000112.2L482 I486 F585 T604 D605 K606 L610 V611 T612 F795 L798L482-F608 HydrophobicContact CB-CD1 4.4Å; L482-F608 HydrophobicContact CB-CE1 3.88Å; L482-F608 HydrophobicContact CD1-CE1 4.18Å; L482-F608 HydrophobicContact CD1-CZ 4.38Å; L482-F608 HydrophobicContact CD2-CE1 3.89Å; L482-F608 HydrophobicContact CD2-CZ 3.81Å; L482-F608 HydrophobicContact CG-CE1 4.19Å; L482-F608 HydrophobicContact CG-CZ 4.49Å; I486-F608 HydrophobicContact CD1-CD1 3.9Å; I486-F608 HydrophobicContact CD1-CE1 3.96Å; F585-F608 HydrophobicContact CD1-CZ 4.45Å; F585-F608 HydrophobicContact CE1-CE1 4.3Å; F585-F608 AromaticContact CE1-CE2 3.72Å; F585-F608 HydrophobicContact CE1-CE2 3.72Å; F585-F608 AromaticContact CE1-CZ 3.42Å; F585-F608 HydrophobicContact CE1-CZ 3.42Å; F585-F608 VanDerWaalsContact CE1-CZ 3.42Å; F585-F608 HydrophobicContact CZ-CE1 4.44Å; F585-F608 AromaticContact CZ-CZ 3.93Å; F585-F608 HydrophobicContact CZ-CZ 3.93Å; T604-F608 HydrophobicContact CG2-CD2 3.86Å; T604-F608 HydrophobicContact CG2-CE2 3.51Å; T604-F608 HydrophobicContact CG2-CZ 4.43Å; T604-F608 VanDerWaalsContact O-CD2 3.24Å; T604-F608 WeakPolarHBondContact O-CD2 3.48Å; T604-F608 PolarHBondContact O-N 2.74Å; D605-F608 PolarHBondContact O-N 2.83Å; K606-F608 VanDerWaalsContact C-N 3.34Å; F608-L610 PolarHBondContact O-N 3.02Å; F608-V611 PolarHBondContact O-N 3.3Å; F608-T612 PolarHBondContact O-N 3.24Å; F608-F795 HydrophobicContact CD2-CD1 4.23Å; F608-F795 HydrophobicContact CE2-CD1 4.28Å; F608-F795 HydrophobicContact CE2-CE1 4.42Å; F608-L798 HydrophobicContact CB-CD2 3.59Å; F608-L798 HydrophobicContact CB-CG 4.04Å; F608-L798 HydrophobicContact CD1-CD1 4.09Å; F608-L798 HydrophobicContact CD1-CD2 3.79Å; F608-L798 HydrophobicContact CD1-CG 4.38Å; F608-L798 HydrophobicContact CD2-CD1 3.78Å; F608-L798 HydrophobicContact CD2-CD2 4.4Å; F608-L798 HydrophobicContact CD2-CG 4.18Å; F608-L798 HydrophobicContact CE1-CD1 4.21Å; F608-L798 HydrophobicContact CE2-CD1 3.92Å; F608-L798 HydrophobicContact CG-CD1 3.89Å; F608-L798 HydrophobicContact CG-CD2 3.69Å; F608-L798 HydrophobicContact CG-CG 3.97Å; F608-L798 HydrophobicContact CZ-CD1 4.14Å
609Q67.5Low65.4Low123 Ų12347.8 Ų47.858%0.57525%0.254SS*.Hα-helixtrans-54.5-37.3173.3-70.9173.729.300112.9D605 K606D605-Q609 VanDerWaalsContact O-CG 3.3Å; D605-Q609 WeakPolarHBondContact O-CG 3.16Å; D605-Q609 PolarHBondContact O-N 3.08Å; D605-Q609 PolarHBondContact OD2-NE2 2.96Å; K606-Q609 PolarHBondContact O-N 3.09Å
610L62.6Low66.8Low72 Ų7245.5 Ų45.538%0.37724%0.237SC..Hα-helixtrans-83.5-27.7-173.9-170.466.8000113.2K606 L607 F608 L840K606-L610 WeakPolarHBondContact O-CB 3.41Å; K606-L610 PolarHBondContact O-N 3.38Å; L607-L610 PolarHBondContact O-N 3.12Å; F608-L610 PolarHBondContact O-N 3.02Å; L610-L840 HydrophobicContact CD1-CD1 4.44Å; L610-L840 HydrophobicContact CD1-CD2 4.45Å; L610-L840 HydrophobicContact CD1-CG 3.88Å; L610-L840 HydrophobicContact CD2-CD2 3.68Å; L610-L840 HydrophobicContact CD2-CG 4.02Å; L610-L840 HydrophobicContact CG-CD1 4.06Å; L610-L840 HydrophobicContact CG-CD2 4Å; L610-L840 HydrophobicContact CG-CG 3.78Å
611V63.1Low67.9Low4 Ų451.9 Ų51.92%0.02426%0.26CS..Hα-helixtrans-132.810.2-166.4-1580000114.7F469 A479 C483 L607 F608 M836F469-V611 HydrophobicContact CE1-CG2 4.4Å; F469-V611 HydrophobicContact CZ-CG2 4.2Å; A479-V611 HydrophobicContact CB-CB 4.5Å; A479-V611 HydrophobicContact CB-CG1 3.62Å; C483-V611 PolarHBondContact SG-O 3.13Å; L607-V611 WeakPolarHBondContact O-CB 3.45Å; L607-V611 WeakPolarHBondContact O-CG2 3.43Å; L607-V611 PolarHBondContact O-N 3.17Å; F608-V611 PolarHBondContact O-N 3.3Å; V611-M836 WeakPolarHBondContact O-CE 3.47Å
612T64Low69.1Low17 Ų1751.4 Ų51.410%0.10425%0.254CS..  trans-141.5140.2177.8-31.50000114.6I486 F608I486-T612 HydrophobicContact CB-CG2 3.71Å; I486-T612 HydrophobicContact CD1-CG2 3.55Å; I486-T612 HydrophobicContact CG1-CG2 4.1Å; I486-T612 HydrophobicContact CG2-CG2 4.04Å; F608-T612 PolarHBondContact O-N 3.24Å
613P63.2Low69.9Low33 Ų3346.7 Ų46.721%0.21423%0.232CC..PPolyproline II helixtrans-58.5142.7159.525.6-35.8000110.7I486 Y487I486-P613 WeakPolarHBondContact CG2-O 3.25Å; Y487-P613 HydrophobicContact CE2-CG 4.05Å
614T68.6Low70.6Confident64 Ų6447.2 Ų47.239%0.39324%0.236SC..PPolyproline II helixtrans-64.2165.9174.857.30000111.6T616T614-T616 PolarHBondContact O-N 3.3Å
615F76.3Confident71.1Confident9 Ų949.9 Ų49.94%0.03925%0.249CC..PPolyproline II helixtrans-55.5140.7170.7-67.4-52.6000111.3I486 I489 T619 V620 V791 L798 V799I486-F615 HydrophobicContact CB-CE1 4.37Å; I486-F615 HydrophobicContact CG1-CE1 3.9Å; I486-F615 HydrophobicContact CG1-CZ 4.33Å; I486-F615 HydrophobicContact CG2-CD1 3.94Å; I486-F615 HydrophobicContact CG2-CE1 3.99Å; I489-F615 HydrophobicContact CB-CE1 3.93Å; I489-F615 HydrophobicContact CD1-CE1 3.78Å; I489-F615 HydrophobicContact CD1-CZ 3.99Å; I489-F615 HydrophobicContact CG1-CE1 4.45Å; I489-F615 HydrophobicContact CG2-CD1 3.92Å; I489-F615 HydrophobicContact CG2-CE1 3.55Å; I489-F615 HydrophobicContact CG2-CZ 4.38Å; F615-T619 HydrophobicContact CB-CG2 3.79Å; F615-T619 HydrophobicContact CD1-CG2 3.92Å; F615-T619 HydrophobicContact CG-CG2 3.91Å; F615-V620 HydrophobicContact CB-CG2 4.13Å; F615-V791 HydrophobicContact CE2-CG1 4.33Å; F615-L798 HydrophobicContact CD2-CB 4.27Å; F615-L798 WeakPolarHBondContact CD2-O 3.44Å; F615-L798 HydrophobicContact CE2-CB 3.9Å; F615-L798 PolarHBondContact N-O 3.1Å; F615-V799 HydrophobicContact CD2-CG2 3.89Å; F615-V799 HydrophobicContact CE2-CG2 3.82Å
616T77.3Confident71.4Confident56 Ų5649.8 Ų49.834%0.34425%0.249SC..PPolyproline II helixtrans-69157.9-18059.20000111.4N490 T614 N618 T619 V620N490-T616 HydrophobicContact CB-CG2 4.28Å; N490-T616 PolarHBondContact OD1-N 3.38Å; N490-T616 PolarHBondContact OD1-OG1 3.19Å; T614-T616 PolarHBondContact O-N 3.3Å; T616-N618 PolarHBondContact O-N 3.43Å; T616-T619 WeakPolarHBondContact O-CA 3.01Å; T616-T619 WeakPolarHBondContact O-CB 3.42Å; T616-T619 PolarHBondContact O-N 3.17Å; T616-T619 PolarHBondContact OG1-N 3.22Å; T616-T619 PolarHBondContact OG1-OG1 3.09Å; T616-V620 PolarHBondContact O-N 3.36Å
617E74.1Confident71.7Confident107 Ų10744.8 Ų44.850%0.523%0.227SC..Hα-helixtrans-54.5-38.9175.2-172.8168.7-161.500111.8T619 V620 Y621E617-T619 PolarHBondContact O-N 3.38Å; E617-V620 PolarHBondContact O-N 3.03Å; E617-Y621 WeakPolarHBondContact O-CB 3.33Å; E617-Y621 PolarHBondContact O-N 3.29Å
618N73.4Confident71.9Confident86 Ų8649 Ų4946%0.4625%0.245SC..Hα-helixtrans-57.6-44.4172.3-70-17.2000113T616 F622T616-N618 PolarHBondContact O-N 3.43Å; N618-F622 WeakPolarHBondContact O-CB 3.37Å; N618-F622 PolarHBondContact O-N 2.81Å
619T79.5Confident71.8Confident0 Ų053.3 Ų53.30%027%0.265CS..Hα-helixtrans-64.3-48.1177.3-65.60000111.1I489 N490 T493 F615 T616 E617 F622 L623I489-T619 HydrophobicContact CG2-CG2 4.05Å; N490-T619 PolarHBondContact OD1-OG1 2.78Å; T493-T619 HydrophobicContact CG2-CG2 4.1Å; T493-T619 PolarHBondContact OG1-OG1 3.11Å; F615-T619 HydrophobicContact CB-CG2 3.79Å; F615-T619 HydrophobicContact CD1-CG2 3.92Å; F615-T619 HydrophobicContact CG-CG2 3.91Å; T616-T619 WeakPolarHBondContact O-CA 3.01Å; T616-T619 WeakPolarHBondContact O-CB 3.42Å; T616-T619 PolarHBondContact O-N 3.17Å; T616-T619 PolarHBondContact OG1-N 3.22Å; T616-T619 PolarHBondContact OG1-OG1 3.09Å; E617-T619 PolarHBondContact O-N 3.38Å; T619-F622 PolarHBondContact O-N 3.43Å; T619-L623 HydrophobicContact CG2-CD1 4.01Å; T619-L623 VanDerWaalsContact O-CG 3.3Å; T619-L623 WeakPolarHBondContact O-CG 3.03Å; T619-L623 PolarHBondContact O-N 3.12Å; T619-L623 VanDerWaalsContact O-N 3.08Å
620V78.3Confident71.8Confident17 Ų1747.7 Ų47.710%0.10324%0.238CC..Hα-helixtrans-64.6-45.2-179.91770000110.9F615 T616 E617 L623 N624F615-V620 HydrophobicContact CB-CG2 4.13Å; T616-V620 PolarHBondContact O-N 3.36Å; E617-V620 PolarHBondContact O-N 3.03Å; V620-L623 PolarHBondContact O-N 2.66Å; V620-N624 WeakPolarHBondContact O-CB 3.23Å; V620-N624 PolarHBondContact O-N 3.18Å; V620-N624 PolarHBondContact O-OD1 2.85Å
621Y76.1Confident72.1Confident148 Ų14848.7 Ų48.758%0.5824%0.241SC*.Hα-helixtrans-61.2-44.6176.8178.4-106.1000112.5E617 N624 N625E617-Y621 WeakPolarHBondContact O-CB 3.33Å; E617-Y621 PolarHBondContact O-N 3.29Å; Y621-N624 PolarHBondContact O-N 2.93Å; Y621-N625 WeakPolarHBondContact CE1-ND2 3.46Å; Y621-N625 WeakPolarHBondContact O-CB 3.49Å; Y621-N625 PolarHBondContact O-N 3.49Å; Y621-N625 PolarHBondContact OH-ND2 3.14Å
622F79.5Confident72.2Confident21 Ų2152.7 Ų52.79%0.09227%0.267CS..Hα-helixtrans-59.9-48.5176.2174.3-104.4000112.1T493 I496 V497 L578 N618 T619 N625 L626T493-F622 HydrophobicContact CG2-CD1 3.85Å; T493-F622 HydrophobicContact CG2-CE1 4.29Å; I496-F622 HydrophobicContact CB-CE2 4.29Å; I496-F622 HydrophobicContact CB-CZ 4.33Å; I496-F622 HydrophobicContact CD1-CE1 4.28Å; I496-F622 HydrophobicContact CD1-CZ 3.96Å; I496-F622 HydrophobicContact CG2-CD2 4.43Å; I496-F622 HydrophobicContact CG2-CE2 3.52Å; I496-F622 HydrophobicContact CG2-CZ 3.75Å; V497-F622 HydrophobicContact CG2-CB 4.09Å; V497-F622 HydrophobicContact CG2-CD2 3.91Å; V497-F622 HydrophobicContact CG2-CG 4.27Å; L578-F622 HydrophobicContact CD2-CD1 4.46Å; L578-F622 HydrophobicContact CD2-CE1 3.71Å; N618-F622 WeakPolarHBondContact O-CB 3.37Å; N618-F622 PolarHBondContact O-N 2.81Å; T619-F622 PolarHBondContact O-N 3.43Å; F622-N625 PolarHBondContact O-N 3.03Å; F622-L626 HydrophobicContact CD1-CD1 4.23Å; F622-L626 HydrophobicContact CE1-CD1 3.6Å; F622-L626 HydrophobicContact CE2-CD1 4.22Å; F622-L626 HydrophobicContact CE2-CG 4.46Å; F622-L626 HydrophobicContact CZ-CD1 3.6Å; F622-L626 HydrophobicContact CZ-CG 4.31Å; F622-L626 PolarHBondContact O-N 3.15Å; F622-L626 VanDerWaalsContact O-N 3.11Å
623L77.2Confident72.1Confident7 Ų755.2 Ų55.24%0.03728%0.28CS..Hα-helixtrans-65-40.9178.8-67.1168.5000111.9F582 T619 V620 N625 L626 L627 A788F582-L623 HydrophobicContact CE2-CD1 4.42Å; F582-L623 HydrophobicContact CE2-CD2 4.08Å; F582-L623 HydrophobicContact CZ-CD1 3.81Å; F582-L623 HydrophobicContact CZ-CD2 4.23Å; T619-L623 HydrophobicContact CG2-CD1 4.01Å; T619-L623 VanDerWaalsContact O-CG 3.3Å; T619-L623 WeakPolarHBondContact O-CG 3.03Å; T619-L623 PolarHBondContact O-N 3.12Å; T619-L623 VanDerWaalsContact O-N 3.08Å; V620-L623 PolarHBondContact O-N 2.66Å; L623-N625 PolarHBondContact O-N 3.36Å; L623-L626 PolarHBondContact O-N 2.74Å; L623-L627 WeakPolarHBondContact O-CB 3.36Å; L623-L627 WeakPolarHBondContact O-CG 3.24Å; L623-L627 PolarHBondContact O-N 3.35Å; L623-A788 HydrophobicContact CD2-CB 4.21Å
624N74.4Confident72.1Confident50 Ų5054 Ų5427%0.26727%0.271SS..Hα-helixtrans-64.9-38.7177.4-71.8-4000112.3V620 Y621 L627 K628 W801V620-N624 WeakPolarHBondContact O-CB 3.23Å; V620-N624 PolarHBondContact O-N 3.18Å; V620-N624 PolarHBondContact O-OD1 2.85Å; Y621-N624 PolarHBondContact O-N 2.93Å; N624-L627 PolarHBondContact O-N 3.42Å; N624-K628 WeakPolarHBondContact O-CB 3.5Å; N624-K628 PolarHBondContact O-N 3.49Å; N624-W801 PolarHBondContact OD1-NE1 2.8Å
625N73.6Confident71.6Confident68 Ų6853.8 Ų53.836%0.36427%0.272SS..Hα-helixtrans-66.1-40.7175.3-79.9-22000112.5Y621 F622 L623 K628 H629Y621-N625 WeakPolarHBondContact CE1-ND2 3.46Å; Y621-N625 WeakPolarHBondContact O-CB 3.49Å; Y621-N625 PolarHBondContact O-N 3.49Å; Y621-N625 PolarHBondContact OH-ND2 3.14Å; F622-N625 PolarHBondContact O-N 3.03Å; L623-N625 PolarHBondContact O-N 3.36Å; N625-K628 PolarHBondContact O-N 3.46Å; N625-H629 WeakPolarHBondContact O-CB 3.37Å; N625-H629 PolarHBondContact O-N 3.31Å
626L72.8Confident70.5Confident19 Ų1958 Ų5810%0.09930%0.295CS..Hα-helixtrans-64.3-45.6172.6-67.2174.5000111.2F622 L623 K628 H629 Y630 L784 L785F622-L626 HydrophobicContact CD1-CD1 4.23Å; F622-L626 HydrophobicContact CE1-CD1 3.6Å; F622-L626 HydrophobicContact CE2-CD1 4.22Å; F622-L626 HydrophobicContact CE2-CG 4.46Å; F622-L626 HydrophobicContact CZ-CD1 3.6Å; F622-L626 HydrophobicContact CZ-CG 4.31Å; F622-L626 PolarHBondContact O-N 3.15Å; F622-L626 VanDerWaalsContact O-N 3.11Å; L623-L626 PolarHBondContact O-N 2.74Å; L626-K628 VanDerWaalsContact C-N 3.31Å; L626-K628 PolarHBondContact O-N 2.83Å; L626-H629 PolarHBondContact O-N 3.48Å; L626-Y630 HydrophobicContact CD2-CE2 4.3Å; L626-Y630 WeakPolarHBondContact O-CB 3.38Å; L626-Y630 WeakPolarHBondContact O-CD2 3.43Å; L626-Y630 PolarHBondContact O-N 2.95Å; L626-L784 HydrophobicContact CD1-CD2 3.82Å; L626-L785 HydrophobicContact CB-CD2 3.74Å
627L70.5Confident69.3Low14 Ų1457 Ų577%0.07329%0.289CS..Hα-helixtrans-58.8-41.5177.3-75.3165.3000112.1L623 N624 Q631 L634 L785 R789 W801L623-L627 WeakPolarHBondContact O-CB 3.36Å; L623-L627 WeakPolarHBondContact O-CG 3.24Å; L623-L627 PolarHBondContact O-N 3.35Å; N624-L627 PolarHBondContact O-N 3.42Å; L627-Q631 WeakPolarHBondContact O-CA 3.49Å; L627-Q631 WeakPolarHBondContact O-CB 3.33Å; L627-Q631 PolarHBondContact O-N 3.34Å; L627-L634 HydrophobicContact CD2-CD1 3.92Å; L627-L785 HydrophobicContact CD2-CB 4.2Å; L627-L785 HydrophobicContact CD2-CD2 3.69Å; L627-L785 HydrophobicContact CD2-CG 4.47Å; L627-L785 HydrophobicContact CG-CD2 3.78Å; L627-R789 HydrophobicContact CD2-CG 3.87Å; L627-W801 HydrophobicContact CD1-CH2 3.5Å; L627-W801 HydrophobicContact CD1-CZ2 3.41Å; L627-W801 VanDerWaalsContact CD1-CZ2 3.41Å
628K68.5Low68Low112 Ų11255.8 Ų55.849%0.48729%0.286SS..Hα-helixtrans-61.1-52.2173.7179.1176.2-1701600112N624 N625 L626 Y630 Q631 F820N624-K628 WeakPolarHBondContact O-CB 3.5Å; N624-K628 PolarHBondContact O-N 3.49Å; N625-K628 PolarHBondContact O-N 3.46Å; L626-K628 VanDerWaalsContact C-N 3.31Å; L626-K628 PolarHBondContact O-N 2.83Å; K628-Y630 VanDerWaalsContact C-N 3.33Å; K628-Y630 PolarHBondContact O-N 3.4Å; K628-Q631 WeakPolarHBondContact O-CB 3.49Å; K628-Q631 PolarHBondContact O-N 2.8Å; K628-F820 HydrophobicContact CD-CE1 3.73Å; K628-F820 HydrophobicContact CD-CZ 3.55Å; K628-F820 VanDerWaalsContact CE-CZ 3.47Å; K628-F820 HydrophobicContact CG-CZ 3.95Å
629H68Low66.3Low93 Ų9357.5 Ų57.543%0.43130%0.295SS..Hα-helixtrans-66.7-35.8-174.5-169.753.3000112.4N625 L626N625-H629 WeakPolarHBondContact O-CB 3.37Å; N625-H629 PolarHBondContact O-N 3.31Å; L626-H629 PolarHBondContact O-N 3.48Å
630Y67.6Low64.4Low4 Ų463.9 Ų63.92%0.01632%0.324CS..THydrogen-bonded Turntrans-96.57.3-179.2-71-89.5000114.1L626 K628 P632 L633 L634 L761 V781 L785L626-Y630 HydrophobicContact CD2-CE2 4.3Å; L626-Y630 WeakPolarHBondContact O-CB 3.38Å; L626-Y630 WeakPolarHBondContact O-CD2 3.43Å; L626-Y630 PolarHBondContact O-N 2.95Å; K628-Y630 VanDerWaalsContact C-N 3.33Å; K628-Y630 PolarHBondContact O-N 3.4Å; Y630-P632 VanDerWaalsContact C-CD 3.48Å; Y630-L633 HydrophobicContact CD1-CD1 3.65Å; Y630-L633 HydrophobicContact CE1-CD1 4.1Å; Y630-L633 PolarHBondContact O-N 2.99Å; Y630-L633 VanDerWaalsContact O-N 3.1Å; Y630-L634 PolarHBondContact O-N 3.01Å; Y630-L761 HydrophobicContact CE1-CD2 4.24Å; Y630-L761 WeakPolarHBondContact OH-CA 3.24Å; Y630-L761 VanDerWaalsContact OH-CB 3.3Å; Y630-L761 WeakPolarHBondContact OH-CB 3.41Å; Y630-L761 WeakPolarHBondContact OH-CD2 3.17Å; Y630-L761 PolarHBondContact OH-O 3.38Å; Y630-V781 HydrophobicContact CD1-CG1 3.69Å; Y630-V781 HydrophobicContact CD2-CG1 3.73Å; Y630-V781 HydrophobicContact CE1-CB 4.26Å; Y630-V781 HydrophobicContact CE1-CG1 3.69Å; Y630-V781 HydrophobicContact CE2-CG1 3.73Å; Y630-V781 HydrophobicContact CG-CG1 3.73Å; Y630-L785 VanDerWaalsContact CB-CD1 3.41Å; Y630-L785 HydrophobicContact CD2-CD1 4.19Å; Y630-L785 HydrophobicContact CG-CD1 3.86Å
631Q68.3Low62.5Low93 Ų9368.8 Ų68.844%0.43535%0.35SS..Hα-helixtrans-52.2-44.6179.9-174.3175-5.400113.6L627 K628 L633 L634 C635L627-Q631 WeakPolarHBondContact O-CA 3.49Å; L627-Q631 WeakPolarHBondContact O-CB 3.33Å; L627-Q631 PolarHBondContact O-N 3.34Å; K628-Q631 WeakPolarHBondContact O-CB 3.49Å; K628-Q631 PolarHBondContact O-N 2.8Å; Q631-L633 VanDerWaalsContact C-N 3.32Å; Q631-L633 PolarHBondContact O-N 3.14Å; Q631-L634 PolarHBondContact O-N 3.43Å; Q631-C635 PolarHBondContact O-N 3.38Å; Q631-C635 VanDerWaalsContact O-N 3.12Å; Q631-C635 PolarHBondContact O-SG 3.45Å; Q631-C635 VanDerWaalsContact O-SG 3.34Å
632P65.4Low60.2Low88 Ų8865.3 Ų65.357%0.57136%0.359SS*.Hα-helixtrans-63.3-36.9178.9-22.134.6000113Y630 C635 N636Y630-P632 VanDerWaalsContact C-CD 3.48Å; P632-C635 PolarHBondContact O-N 2.82Å; P632-N636 PolarHBondContact O-N 3.26Å
633L62.4Low57.6Low70 Ų7067.2 Ų67.237%0.36638%0.384SS..Hα-helixtrans-72.7-36.6179.5-69.6161000111.4Y630 Q631 N636 V637 L778 L782Y630-L633 HydrophobicContact CD1-CD1 3.65Å; Y630-L633 HydrophobicContact CE1-CD1 4.1Å; Y630-L633 PolarHBondContact O-N 2.99Å; Y630-L633 VanDerWaalsContact O-N 3.1Å; Q631-L633 VanDerWaalsContact C-N 3.32Å; Q631-L633 PolarHBondContact O-N 3.14Å; L633-N636 PolarHBondContact O-N 3.17Å; L633-V637 WeakPolarHBondContact O-CG2 3.5Å; L633-V637 PolarHBondContact O-N 3.04Å; L633-L778 HydrophobicContact CD1-CD1 3.98Å; L633-L782 HydrophobicContact CB-CD2 4.46Å
634L63.3Low55.1Low7 Ų776.6 Ų76.64%0.03743%0.428CS..Hα-helixtrans-64.6-36.8173.8-75.4167.5000112.8L627 Y630 Q631 V637 N638 L782 L785 T786L627-L634 HydrophobicContact CD2-CD1 3.92Å; Y630-L634 PolarHBondContact O-N 3.01Å; Q631-L634 PolarHBondContact O-N 3.43Å; L634-V637 PolarHBondContact O-N 3.02Å; L634-N638 PolarHBondContact O-N 3.32Å; L634-N638 PolarHBondContact O-ND2 3.32Å; L634-L782 HydrophobicContact CD2-CD2 4.31Å; L634-L785 HydrophobicContact CD1-CB 4.2Å; L634-L785 HydrophobicContact CD1-CD1 4.16Å; L634-L785 HydrophobicContact CD2-CB 4.01Å; L634-T786 HydrophobicContact CD2-CG2 4.46Å
635C57.3Low52.8Low61 Ų6183.3 Ų83.341%0.41246%0.455SS..Hα-helixtrans-61.2-45.4176.3-68.90000111.9Q631 P632 V637 N638 N639Q631-C635 PolarHBondContact O-N 3.38Å; Q631-C635 VanDerWaalsContact O-N 3.12Å; Q631-C635 PolarHBondContact O-SG 3.45Å; Q631-C635 VanDerWaalsContact O-SG 3.34Å; P632-C635 PolarHBondContact O-N 2.82Å; C635-V637 PolarHBondContact O-N 3.27Å; C635-N638 PolarHBondContact O-N 2.84Å; C635-N639 PolarHBondContact O-N 2.99Å
636N51.8Low50.5Low97 Ų9786.6 Ų86.652%0.51947%0.468SS..Hα-helixtrans-63.8-38.4179.7-68.2-13.4000112.5P632 L633 N638 N639 H640P632-N636 PolarHBondContact O-N 3.26Å; L633-N636 PolarHBondContact O-N 3.17Å; N636-N638 VanDerWaalsContact C-N 3.33Å; N636-N638 PolarHBondContact O-N 3.36Å; N636-N639 PolarHBondContact O-N 3.43Å; N636-H640 PolarHBondContact O-CD2 3.08Å; N636-H640 VanDerWaalsContact O-CD2 3.31Å; N636-H640 PolarHBondContact O-N 3.36Å
637V53.9Low48.3Very low36 Ų3691.5 Ų91.522%0.21850%0.501CS..Hα-helixtrans-63.7-36.6177.1172.80000112.2L633 L634 C635 L782L633-V637 WeakPolarHBondContact O-CG2 3.5Å; L633-V637 PolarHBondContact O-N 3.04Å; L634-V637 PolarHBondContact O-N 3.02Å; C635-V637 PolarHBondContact O-N 3.27Å; V637-L782 HydrophobicContact CG2-CD1 4.02Å; V637-L782 HydrophobicContact CG2-CD2 4.12Å
638N46.6Very low46.2Very low81 Ų8196 Ų9643%0.43353%0.529SS..Hα-helixtrans-70.3-39.1177.4-61.4-39.4000111.8L634 C635 N636 H640L634-N638 PolarHBondContact O-N 3.32Å; L634-N638 PolarHBondContact O-ND2 3.32Å; C635-N638 PolarHBondContact O-N 2.84Å; N636-N638 VanDerWaalsContact C-N 3.33Å; N636-N638 PolarHBondContact O-N 3.36Å; N638-H640 PolarHBondContact O-N 3.11Å
639N37.7Very low44.1Very low122 Ų12298.1 Ų98.165%0.65255%0.546SS*.Hα-helixtrans-69.7-29.5-177.7-69.2-7000113.2C635 N636 N641 G642C635-N639 PolarHBondContact O-N 2.99Å; N636-N639 PolarHBondContact O-N 3.43Å; N639-N641 PolarHBondContact O-N 3.27Å; N639-G642 PolarHBondContact O-N 3.1Å; N639-G642 VanDerWaalsContact O-N 3.16Å
640H38.5Very low42.1Very low134 Ų134101.9 Ų101.962%0.6257%0.566SS**THydrogen-bonded Turntrans-67.3-15.2-179-93-67.1000115.2N636 N638 G642N636-H640 PolarHBondContact O-CD2 3.08Å; N636-H640 VanDerWaalsContact O-CD2 3.31Å; N636-H640 PolarHBondContact O-N 3.36Å; N638-H640 PolarHBondContact O-N 3.11Å; H640-G642 VanDerWaalsContact C-N 3.31Å
641N38.5Very low40.1Very low120 Ų120106.7 Ų106.764%0.64260%0.597SS**THydrogen-bonded Turntrans-85.7-2.4176-67.3-24.6000113.1N639N639-N641 PolarHBondContact O-N 3.27Å
642G27.6Very low38Very low74 Ų74109 Ų10976%0.76362%0.617SS**SBendtrans-100.351.3-175.700000115N639 H640N639-G642 PolarHBondContact O-N 3.1Å; N639-G642 VanDerWaalsContact O-N 3.16Å; H640-G642 VanDerWaalsContact C-N 3.31Å
643G24.9Very low36.2Very low61 Ų61113.7 Ų113.763%0.62963%0.632SS**SBendtrans132148.1171.800000114.7K645G643-K645 PolarHBondContact O-N 3.36Å; G643-K645 VanDerWaalsContact O-N 3.13Å
644Q25.1Very low34.3Very low204 Ų204118 Ų11895%0.95365%0.652SS**  trans-69.4107.4-177-70.9-177.7-21.500112.5
645K26.2Very low32.5Very low191 Ų191124 Ų12483%0.8368%0.684SS**  trans-153.7109.6154-106.6167.5-175176.90109.2G643G643-K645 PolarHBondContact O-N 3.36Å; G643-K645 VanDerWaalsContact O-N 3.13Å
646Q25.3Very low31.1Very low138 Ų138127 Ų12765%0.64570%0.696SS**  trans-62143.2169.2-76177.7-42.900109.7T648 D743Q646-T648 VanDerWaalsContact C-N 3.29Å; Q646-T648 PolarHBondContact O-N 2.81Å; Q646-D743 PolarHBondContact NE2-OD2 3.02Å
647P27.6Very low29.9Very low122 Ų122129.3 Ų129.379%0.79271%0.709SS**  trans-76.582.2163.932.4-32.3000109.3
648T25.5Very low28.8Very low107 Ų107134.1 Ų134.166%0.65673%0.733SS**  trans-65140.3167.822.50000111.1Q646Q646-T648 VanDerWaalsContact C-N 3.29Å; Q646-T648 PolarHBondContact O-N 2.81Å
649D25.3Very low28Very low157 Ų157137.4 Ų137.484%0.8475%0.746SS**  trans8.5103.3164.2-54.7-38.8000117.9
650M24.9Very low27.6Very low172 Ų172137.3 Ų137.385%0.84775%0.745SS**  trans-94.3123155.5-84.7-155.274.800110.2
651P25.9Very low27.2Very low105 Ų105137.2 Ų137.268%0.68275%0.754SS**  trans-78.6147.3-17231.1-36000113.3Q653P651-Q653 PolarHBondContact O-N 3.19Å
652V23.6Very low26.7Very low141 Ų141135.6 Ų135.686%0.85575%0.752SS**  trans-77.399.9167.9179.30000109.2M654V652-M654 PolarHBondContact O-N 3.25Å
653Q27.8Very low26.9Very low188 Ų188138.9 Ų138.988%0.87975%0.752SS**  trans-81.3106.5169.6-95.7-171.7-19.600111.5P651P651-Q653 PolarHBondContact O-N 3.19Å
654M22.9Very low27.1Very low160 Ų160143.3 Ų143.379%0.78876%0.762SS**  trans-83.6123.4152.3-76.5-177.3163.600109.3V652V652-M654 PolarHBondContact O-N 3.25Å
655N26Very low27.4Very low132 Ų132139 Ų13971%0.70675%0.749SS**  173.3133.1113.9-91.9-33.9000114.1
656N27.8Very low27.5Very low126 Ų126137.8 Ų137.867%0.67475%0.752SS**  trans43.9108132.3-48.3-22.8000120
657N27Very low27.8Very low145 Ų145135.2 Ų135.278%0.77576%0.762SS**  27.4113.3119.3-49.57.1000117.8
658N30.6Very low28Very low136 Ų136138.8 Ų138.873%0.72777%0.765SS**  -171.812996.8-102.210.4000114.1
659E29Very low28.3Very low150 Ų150139.1 Ų139.170%0.70177%0.767SS**  trans49.3119.7131.8-76.7-170.6-164.100123.7
660N29Very low28.7Very low121 Ų121138 Ų13865%0.64776%0.761SS**  91.6128.3128.5-61.3-19.6000121.8
661T30.3Very low29.2Very low132 Ų132137.5 Ų137.581%0.8176%0.762SS**  trans57.2143.7146.3520000120.5
662S28.3Very low29.8Very low86 Ų86136.5 Ų136.560%0.60176%0.762SS**  cis-176.2180-29.446.90000106.7
663D32Very low30.3Very low142 Ų142136.4 Ų136.476%0.75976%0.757SS**  trans61.371.3153.5-48.5-45000119.7
664N28.2Very low30.4Very low155 Ų155134.7 Ų134.783%0.82975%0.752SS**  42.8148109.7-154.28.9000121.6
665V31.5Very low30.7Very low113 Ų113132.9 Ų132.969%0.68575%0.75SS**  trans90.5100.7164.5-167.80000119.2
666N28.5Very low30.8Very low166 Ų166135.7 Ų135.789%0.88876%0.759SS**  trans25.5122.3142-65.4-10.4000122.1
667G32Very low30.8Very low83 Ų83138.9 Ų138.986%0.85677%0.77SS**  trans-150.4143.1152.400000110.3
668K32Very low30.8Very low197 Ų197139.6 Ų139.686%0.85777%0.768SS**  trans-106.2173.6-174.8-106.5-163.8175.8-1630112.7
669T32.4Very low30.6Very low115 Ų115140.8 Ų140.871%0.70677%0.769SS**  trans84.5140.2164.572.20000117.5
670D33.3Very low30.5Very low132 Ų132142.8 Ų142.871%0.70678%0.779SS**  cis-164.6175.5-21.9-95.3-26.1000108.4
671D36.1Very low30.4Very low162 Ų162143.8 Ų143.887%0.86678%0.784SS**  trans68.2137.8167.5-60-28000119
672A37Very low30.1Very low84 Ų84142.1 Ų142.169%0.69478%0.778SS**  cis-162.3173.2-9.100000112.9
673D34.6Very low29.9Very low140 Ų140145.5 Ų145.575%0.74979%0.788SS**  trans81.1104.2159.2-68.4-13.2000123.5
674I30.3Very low29.8Very low151 Ų151145.8 Ų145.877%0.77479%0.788SS**  70.2124.8127.7-60.1163.7000117.6
675V29.7Very low29.8Very low123 Ų123145.9 Ų145.975%0.74578%0.784SS**  cis-129.9148.122.9-174.40000112.7
676E27.2Very low29.8Very low191 Ų191149.4 Ų149.489%0.89379%0.79SS**  trans-17.6121.4165.8-57.9169.4-177.700120
677E27.3Very low29.8Very low192 Ų192149.3 Ų149.390%0.89778%0.784SS**  trans-149.2167.5149.3-153.8168-141.300109.5
678E28.1Very low29.7Very low160 Ų160152.6 Ų152.675%0.74878%0.78SS**  trans85.7148.4178.9-58.3-150.714800121.3
679H26.6Very low29.6Very low161 Ų161149.7 Ų149.775%0.74577%0.774SS**  trans70.9153.1172.2-56.5-24.7000116.7
680E27.3Very low29.7Very low192 Ų192149.1 Ų149.190%0.89777%0.772SS**  cis-124.2175.913.5-82.4-167.8124.200115.3
681N25.5Very low29.3Very low143 Ų143149.2 Ų149.277%0.76578%0.782SS**  trans-83169.1179.4-64.7-82.7000114.2
682S24.4Very low28.8Very low97 Ų97145.6 Ų145.668%0.67878%0.782SS**  trans92147.7136.183.80000121.1
683L24.3Very low28.3Very low156 Ų156145.3 Ų145.382%0.81779%0.788SS**  trans68.9146.9165.5-52.6163.6000114.2
684I30Very low28Very low149 Ų149146.5 Ų146.576%0.76479%0.794SS**  cis-145.9150.535.3-77173.7000111.2
685E28.4Very low28.1Very low157 Ų157147.2 Ų147.273%0.73480%0.8SS**  trans-76.3149172.7-53.5156.210500114.3
686K31.5Very low28.1Very low187 Ų187147.8 Ų147.881%0.81380%0.799SS**  trans-168.9120.8133.1-94134-164.3166.30109
687H28.2Very low28.1Very low163 Ų163143.5 Ų143.576%0.75578%0.782SS**  70.9149.468.9-100.8-76.1000115.2
688I30.7Very low28.2Very low153 Ų153141.6 Ų141.679%0.78578%0.778SS**  trans82.7123.7-175.9-49.6161.4000112.9
689D29.1Very low28.1Very low135 Ų135145.8 Ų145.872%0.72279%0.787SS**  cis-159.5161.2-27.7-108-27.5000108.7
690P33.5Very low28.1Very low103 Ų103146.7 Ų146.767%0.66979%0.791SS**  trans-88.9169177.936.3-35000113.8
691C25.1Very low28.2Very low135 Ų135144.7 Ų144.791%0.91279%0.785SS**  trans79.6119.6168.1-56.70000118.5
692G25.8Very low28.4Very low85 Ų85145.3 Ų145.388%0.87678%0.784SS**  trans129.2133.5148.900000115.7
693G27.1Very low28.8Very low78 Ų78146 Ų14680%0.80478%0.783SS**  trans107105.3168.700000114.2
694D28.5Very low29.5Very low166 Ų166145.4 Ų145.489%0.88878%0.776SS**  trans-70.5127.9154.7-48.7-88.4000108.3
695D31.5Very low30.2Very low166 Ų166146.2 Ų146.289%0.88878%0.782SS**  trans-149.8120155.8-113.7-32.8000109.4
696D30.1Very low31.4Very low135 Ų135142.2 Ų142.272%0.72277%0.765SS**  trans-76.4176.4174.9-106.9-50.5000111.1
697N27.8Very low32.8Very low101 Ų101135.5 Ų135.554%0.5474%0.744SS.*  trans85.2160.2171.9-41.3-76.8000116.3N853N697-N853 PolarHBondContact OD1-ND2 3.49Å
698N28.4Very low34.7Very low152 Ų152133.4 Ų133.481%0.81375%0.745SS**  trans68.834.5171.3-56-7.9000118.6E700N698-E700 PolarHBondContact O-N 3.48Å
699R26.4Very low37Very low248 Ų248127.9 Ų127.994%0.93672%0.717SS**  trans-80.676.9144.9-77.1-168179-168.20.3109.9I701R699-I701 PolarHBondContact O-N 3.36Å
700E26.8Very low39.4Very low180 Ų180125 Ų12584%0.84170%0.702SS**  trans-63.8126.6164-66.8-158.6120.100108.9N698 E702N698-E700 PolarHBondContact O-N 3.48Å; E700-E702 PolarHBondContact O-N 2.83Å
701I30.2Very low41.9Very low150 Ų150122.2 Ų122.277%0.76968%0.677SS**  trans-73.7111.8178.7-62.6168.8000107.3R699 V703R699-I701 PolarHBondContact O-N 3.36Å; I701-V703 PolarHBondContact O-N 3.48Å
702E27.7Very low44.4Very low156 Ų156118 Ų11873%0.72965%0.647SS**  trans-59.897.7168.6-71.1-166.2142.700109.5E700 H704E700-E702 PolarHBondContact O-N 2.83Å; E702-H704 PolarHBondContact O-N 3.1Å; E702-H704 IonicContact OE2-CE1 3.35Å; E702-H704 PolarHBondContact OE2-CE1 3.46Å; E702-H704 IonicContact OE2-ND1 3.83Å
703V34.8Very low46.9Very low110 Ų110117.4 Ų117.467%0.66762%0.619SS**  trans-73.382.7167-1770000106.5I701 N705I701-V703 PolarHBondContact O-N 3.48Å; V703-N705 PolarHBondContact O-N 2.91Å
704H38.3Very low49.5Very low144 Ų144114.4 Ų114.467%0.66758%0.584SS**  trans-47.6129.7-178.7-72.9-34.9000110.8E702 I706E702-H704 PolarHBondContact O-N 3.1Å; E702-H704 IonicContact OE2-CE1 3.35Å; E702-H704 PolarHBondContact OE2-CE1 3.46Å; E702-H704 IonicContact OE2-ND1 3.83Å; H704-I706 PolarHBondContact O-N 3.29Å
705N43.5Very low51.8Low167 Ų167106.5 Ų106.589%0.89354%0.542SS*.  trans-50.9105.4-176.5-76.2-33.7000111.3V703 A707V703-N705 PolarHBondContact O-N 2.91Å; N705-A707 PolarHBondContact O-N 3.13Å
706I53.8Low53.8Low73 Ų73103 Ų10337%0.37452%0.519SS..  trans-67.1106.2172.8-65.2-179.9000106.8H704 Y790 V794H704-I706 PolarHBondContact O-N 3.29Å; I706-Y790 HydrophobicContact CD1-CD2 3.76Å; I706-Y790 HydrophobicContact CD1-CE2 3.78Å; I706-Y790 HydrophobicContact CG2-CD2 3.62Å; I706-Y790 HydrophobicContact CG2-CE2 3.94Å; I706-V794 HydrophobicContact CD1-CG2 4.11Å
707A61.2Low56Low46 Ų4696.7 Ų96.738%0.3849%0.485SS..PPolyproline II helixtrans-53.4139.8179.800000111R586 N705R586-A707 PolarHBondContact NH1-O 3.29Å; R586-A707 PolarHBondContact NH2-O 3.11Å; N705-A707 PolarHBondContact O-N 3.13Å
708P69.2Low58.2Low119 Ų11992 Ų9277%0.77346%0.46SS*.PPolyproline II helixtrans-63.5169.5-177.226.5-35.2000112.5R586 D710R586-P708 PolarHBondContact NH2-O 2.97Å; R586-P708 VanDerWaalsContact NH2-O 3.12Å; P708-D710 PolarHBondContact O-N 3.37Å
709I77.8Confident60.6Low36 Ų3685 Ų8519%0.18542%0.422CS..PPolyproline II helixtrans-76117.2174.7-59.9166.2000108.8L583 R586 W711 L714L583-I709 HydrophobicContact CD1-CD1 3.96Å; R586-I709 HydrophobicContact CG-CD1 4.31Å; R586-I709 HydrophobicContact CG-CG1 4.46Å; I709-W711 VanDerWaalsContact C-N 3.31Å; I709-W711 HydrophobicContact CB-CD2 4.34Å; I709-W711 HydrophobicContact CB-CZ2 4.38Å; I709-W711 HydrophobicContact CD1-CH2 4.4Å; I709-W711 HydrophobicContact CD1-CZ2 3.74Å; I709-W711 HydrophobicContact CG2-CD2 3.54Å; I709-W711 HydrophobicContact CG2-CE3 3.92Å; I709-W711 HydrophobicContact CG2-CG 3.96Å; I709-W711 HydrophobicContact CG2-CH2 4.29Å; I709-W711 HydrophobicContact CG2-CZ2 3.94Å; I709-W711 HydrophobicContact CG2-CZ3 4.27Å; I709-W711 PolarHBondContact O-N 3.47Å; I709-L714 HydrophobicContact CG2-CD1 3.63Å
710D81Confident63.3Low76 Ų7673.4 Ų73.441%0.40638%0.379SS..  trans-74.885.5168.8179.80.8000110.3P708 T712 R713 L714P708-D710 PolarHBondContact O-N 3.37Å; D710-T712 VanDerWaalsContact C-N 3.28Å; D710-T712 PolarHBondContact O-N 2.8Å; D710-T712 WeakPolarHBondContact OD1-CB 3.4Å; D710-T712 PolarHBondContact OD1-N 3.2Å; D710-T712 PolarHBondContact OD1-OG1 2.82Å; D710-R713 HydrophobicContact CB-CB 4.27Å; D710-R713 PolarHBondContact O-N 2.93Å; D710-R713 PolarHBondContact OD1-N 3.21Å; D710-R713 WeakPolarHBondContact OD2-CB 3.44Å; D710-R713 WeakPolarHBondContact OD2-CD 3.45Å; D710-L714 WeakPolarHBondContact O-CG 3.23Å; D710-L714 PolarHBondContact O-N 3.42Å
711W84.1Confident65.6Low43 Ų4364.8 Ų64.816%0.16334%0.339CS..Hα-helixtrans-67.9-24.8176.1-67.4116.8000113.4L583 I709 R713 L714 V715 I720 I731 P732 L737L583-W711 HydrophobicContact CD1-CH2 4.48Å; L583-W711 HydrophobicContact CD2-CH2 4.05Å; L583-W711 HydrophobicContact CD2-CZ3 4.15Å; L583-W711 HydrophobicContact CG-CH2 4.49Å; I709-W711 VanDerWaalsContact C-N 3.31Å; I709-W711 HydrophobicContact CB-CD2 4.34Å; I709-W711 HydrophobicContact CB-CZ2 4.38Å; I709-W711 HydrophobicContact CD1-CH2 4.4Å; I709-W711 HydrophobicContact CD1-CZ2 3.74Å; I709-W711 HydrophobicContact CG2-CD2 3.54Å; I709-W711 HydrophobicContact CG2-CE3 3.92Å; I709-W711 HydrophobicContact CG2-CG 3.96Å; I709-W711 HydrophobicContact CG2-CH2 4.29Å; I709-W711 HydrophobicContact CG2-CZ2 3.94Å; I709-W711 HydrophobicContact CG2-CZ3 4.27Å; I709-W711 PolarHBondContact O-N 3.47Å; W711-R713 PolarHBondContact O-N 2.93Å; W711-L714 HydrophobicContact CE3-CB 4.34Å; W711-L714 HydrophobicContact CE3-CD1 4.5Å; W711-L714 PolarHBondContact O-N 2.77Å; W711-V715 VanDerWaalsContact O-CB 3.3Å; W711-V715 WeakPolarHBondContact O-CB 3.39Å; W711-V715 VanDerWaalsContact O-CG2 3.27Å; W711-V715 WeakPolarHBondContact O-CG2 3.43Å; W711-V715 PolarHBondContact O-N 3.15Å; W711-I720 HydrophobicContact CE3-CG2 4.48Å; W711-I720 HydrophobicContact CZ3-CG2 4.22Å; W711-I731 HydrophobicContact CH2-CB 4.42Å; W711-I731 HydrophobicContact CH2-CG1 3.75Å; W711-I731 HydrophobicContact CZ3-CB 4.35Å; W711-I731 HydrophobicContact CZ3-CG1 3.79Å; W711-I731 HydrophobicContact CZ3-CG2 4.36Å; W711-P732 HydrophobicContact CB-CG 3.53Å; W711-P732 HydrophobicContact CD2-CG 3.81Å; W711-P732 HydrophobicContact CE3-CG 4.41Å; W711-P732 HydrophobicContact CG-CG 3.42Å; W711-P732 VanDerWaalsContact CG-CG 3.42Å; W711-L737 HydrophobicContact CB-CD1 4.46Å; W711-L737 HydrophobicContact CB-CD2 3.78Å
712T78.5Confident67.9Low46 Ų4658.7 Ų58.728%0.28231%0.309SS..Hα-helixtrans-63.8-34.7177.675.70000111.3D710 L737 Y744D710-T712 VanDerWaalsContact C-N 3.28Å; D710-T712 PolarHBondContact O-N 2.8Å; D710-T712 WeakPolarHBondContact OD1-CB 3.4Å; D710-T712 PolarHBondContact OD1-N 3.2Å; D710-T712 PolarHBondContact OD1-OG1 2.82Å; T712-L737 HydrophobicContact CG2-CD2 4.29Å; T712-Y744 WeakPolarHBondContact O-CE2 3.43Å
713R78.7Confident70.7Confident74 Ų7451.3 Ų51.328%0.27927%0.274SS..Hα-helixtrans-82.7-44.3176.4-170.4171.4-177.5-152.6-13.9112D710 W711 K716 E779D710-R713 HydrophobicContact CB-CB 4.27Å; D710-R713 PolarHBondContact O-N 2.93Å; D710-R713 PolarHBondContact OD1-N 3.21Å; D710-R713 WeakPolarHBondContact OD2-CB 3.44Å; D710-R713 WeakPolarHBondContact OD2-CD 3.45Å; W711-R713 PolarHBondContact O-N 2.93Å; R713-K716 VanDerWaalsContact O-CB 3.31Å; R713-K716 WeakPolarHBondContact O-CB 3.29Å; R713-K716 WeakPolarHBondContact O-CG 3.45Å; R713-K716 PolarHBondContact O-N 2.91Å; R713-E779 WeakPolarHBondContact CD-OE2 3.33Å; R713-E779 HydrophobicContact CG-CG 4.5Å; R713-E779 WeakPolarHBondContact CG-OE2 3.41Å; R713-E779 IonicContact CZ-OE1 2.74Å; R713-E779 VanDerWaalsContact CZ-OE1 3.22Å; R713-E779 IonicContact CZ-OE2 2.71Å; R713-E779 IonicContact NE-OE1 4Å; R713-E779 PolarHBondContact NE-OE1 3.03Å; R713-E779 IonicContact NE-OE2 3.94Å; R713-E779 PolarHBondContact NE-OE2 2.75Å; R713-E779 VanDerWaalsContact NH2-CD 3.34Å; R713-E779 IonicContact NH2-OE1 3.18Å; R713-E779 PolarHBondContact NH2-OE1 3.12Å; R713-E779 IonicContact NH2-OE2 2.78Å; R713-E779 PolarHBondContact NH2-OE2 2.98Å; R713-E779 VanDerWaalsContact NH2-OE2 3.15Å
714L81.5Confident73.1Confident14 Ų1446.5 Ų46.57%0.07324%0.244CC..Hα-helixtrans-71.5-27.6-179.9-65.2-173.9000114.6I709 D710 W711 K716 L717 C783I709-L714 HydrophobicContact CG2-CD1 3.63Å; D710-L714 WeakPolarHBondContact O-CG 3.23Å; D710-L714 PolarHBondContact O-N 3.42Å; W711-L714 HydrophobicContact CE3-CB 4.34Å; W711-L714 HydrophobicContact CE3-CD1 4.5Å; W711-L714 PolarHBondContact O-N 2.77Å; L714-K716 PolarHBondContact O-N 3.2Å; L714-K716 VanDerWaalsContact O-N 3.13Å; L714-L717 HydrophobicContact CD2-CD1 4.09Å; L714-L717 VanDerWaalsContact O-CB 3.26Å; L714-L717 WeakPolarHBondContact O-CB 3.36Å; L714-L717 WeakPolarHBondContact O-CG 3.47Å; L714-L717 PolarHBondContact O-N 3.16Å; L714-C783 HydrophobicContact CD2-CB 3.72Å
715V76.9Confident75.2Confident0 Ų039.6 Ų39.60%021%0.213CC..THydrogen-bonded Turntrans-75.38.3173.5179.30000112W711 I720 V721 Q734 L737W711-V715 VanDerWaalsContact O-CB 3.3Å; W711-V715 WeakPolarHBondContact O-CB 3.39Å; W711-V715 VanDerWaalsContact O-CG2 3.27Å; W711-V715 WeakPolarHBondContact O-CG2 3.43Å; W711-V715 PolarHBondContact O-N 3.15Å; V715-I720 HydrophobicContact CG2-CG2 3.89Å; V715-V721 HydrophobicContact CG1-CG2 4.18Å; V715-V721 WeakPolarHBondContact O-CG2 3.41Å; V715-Q734 HydrophobicContact CG1-CG 3.91Å; V715-L737 HydrophobicContact CB-CD1 3.75Å; V715-L737 HydrophobicContact CG1-CD1 4.06Å; V715-L737 HydrophobicContact CG2-CD1 3.71Å
716K73.6Confident77.4Confident93 Ų9331.7 Ų31.740%0.40417%0.17SC..THydrogen-bonded Turntrans-82.9-14.6158.7-58.4178.6179.4-178.70113.1R713 L714 P718 V747 L751R713-K716 VanDerWaalsContact O-CB 3.31Å; R713-K716 WeakPolarHBondContact O-CB 3.29Å; R713-K716 WeakPolarHBondContact O-CG 3.45Å; R713-K716 PolarHBondContact O-N 2.91Å; L714-K716 PolarHBondContact O-N 3.2Å; L714-K716 VanDerWaalsContact O-N 3.13Å; K716-P718 WeakPolarHBondContact O-CD 3.3Å; K716-V747 HydrophobicContact CG-CG2 4.39Å; K716-L751 VanDerWaalsContact O-CD1 3.23Å; K716-L751 WeakPolarHBondContact O-CD1 3.41Å
717L77Confident79.1Confident3 Ų330.8 Ų30.82%0.01616%0.164CC..SBendtrans-81.3121.3178.9-62.2-176000110.6L714 E719 I720 V721 I776 E779 R780L714-L717 HydrophobicContact CD2-CD1 4.09Å; L714-L717 VanDerWaalsContact O-CB 3.26Å; L714-L717 WeakPolarHBondContact O-CB 3.36Å; L714-L717 WeakPolarHBondContact O-CG 3.47Å; L714-L717 PolarHBondContact O-N 3.16Å; L717-E719 HydrophobicContact CB-CG 4.21Å; L717-E719 PolarHBondContact O-N 3.29Å; L717-E719 VanDerWaalsContact O-N 3.14Å; L717-I720 HydrophobicContact CB-CB 4.28Å; L717-I720 HydrophobicContact CB-CG1 3.9Å; L717-I720 HydrophobicContact CD1-CG1 4.25Å; L717-I720 PolarHBondContact O-N 2.85Å; L717-V721 WeakPolarHBondContact O-CG2 3.33Å; L717-V721 PolarHBondContact O-N 3.34Å; L717-I776 HydrophobicContact CD2-CG2 3.7Å; L717-E779 HydrophobicContact CD2-CB 3.94Å; L717-R780 HydrophobicContact CD1-CG 4.18Å; L717-R780 HydrophobicContact CD2-CG 3.79Å
718P73.2Confident80.3Confident3 Ų328.6 Ų28.62%0.01915%0.146CC..Hα-helixtrans-49.3-41.7-180-29.634.2000114.5K716 I720 V721 V722 L751 F753K716-P718 WeakPolarHBondContact O-CD 3.3Å; P718-I720 VanDerWaalsContact C-N 3.34Å; P718-I720 PolarHBondContact O-N 3.03Å; P718-V721 WeakPolarHBondContact O-CB 3.46Å; P718-V721 PolarHBondContact O-N 3.25Å; P718-V722 WeakPolarHBondContact O-CG2 3.15Å; P718-V722 PolarHBondContact O-N 2.79Å; P718-V722 VanDerWaalsContact O-N 3.11Å; P718-L751 HydrophobicContact CB-CB 4.09Å; P718-L751 HydrophobicContact CB-CD1 4.48Å; P718-L751 HydrophobicContact CG-CB 3.75Å; P718-L751 HydrophobicContact CG-CD1 3.79Å; P718-L751 HydrophobicContact CG-CG 4.45Å; P718-F753 HydrophobicContact CB-CD1 3.34Å; P718-F753 HydrophobicContact CB-CE1 3.26Å; P718-F753 HydrophobicContact CB-CG 4.25Å; P718-F753 HydrophobicContact CB-CZ 4.07Å; P718-F753 HydrophobicContact CG-CD1 4.17Å; P718-F753 HydrophobicContact CG-CE1 4.5Å
719E78.4Confident81.1Confident3 Ų323.1 Ų23.11%0.01411%0.111CC..Hα-helixtrans-64.9-28.7177.453.3-88.8-162.700114.5I437 I576 L717 L723 R780I437-E719 HydrophobicContact CD1-CB 4.46Å; I576-E719 HydrophobicContact CD1-CB 4.32Å; I576-E719 HydrophobicContact CD1-CG 4.17Å; I576-E719 WeakPolarHBondContact CD1-OE2 3.39Å; I576-E719 HydrophobicContact CG1-CB 4.49Å; I576-E719 HydrophobicContact CG1-CG 4.01Å; I576-E719 HydrophobicContact CG2-CB 3.65Å; I576-E719 HydrophobicContact CG2-CG 3.83Å; L717-E719 HydrophobicContact CB-CG 4.21Å; L717-E719 PolarHBondContact O-N 3.29Å; L717-E719 VanDerWaalsContact O-N 3.14Å; E719-L723 WeakPolarHBondContact O-CD1 3.4Å; E719-L723 WeakPolarHBondContact O-CG 3.24Å; E719-R780 IonicContact OE1-CZ 2.61Å; E719-R780 IonicContact OE1-NE 2.75Å; E719-R780 PolarHBondContact OE1-NE 3.35Å; E719-R780 IonicContact OE1-NH2 3.15Å; E719-R780 PolarHBondContact OE1-NH2 3.02Å; E719-R780 IonicContact OE2-CZ 3.15Å; E719-R780 IonicContact OE2-NE 2.76Å; E719-R780 IonicContact OE2-NH2 3.65Å; E719-R780 PolarHBondContact OE2-NH2 3.13Å
720I82.8Confident81.4Confident5 Ų524.4 Ų24.43%0.02612%0.117CC..Hα-helixtrans-82.8-40.1173.7-57.7-61.6000109.8L580 L583 W711 V715 L717 P718 V722 L723 Q724 I731L580-I720 HydrophobicContact CD2-CD1 3.84Å; L583-I720 HydrophobicContact CD2-CD1 3.94Å; W711-I720 HydrophobicContact CE3-CG2 4.48Å; W711-I720 HydrophobicContact CZ3-CG2 4.22Å; V715-I720 HydrophobicContact CG2-CG2 3.89Å; L717-I720 HydrophobicContact CB-CB 4.28Å; L717-I720 HydrophobicContact CB-CG1 3.9Å; L717-I720 HydrophobicContact CD1-CG1 4.25Å; L717-I720 PolarHBondContact O-N 2.85Å; P718-I720 VanDerWaalsContact C-N 3.34Å; P718-I720 PolarHBondContact O-N 3.03Å; I720-V722 VanDerWaalsContact C-N 3.32Å; I720-V722 PolarHBondContact O-N 3.07Å; I720-L723 CarbonylContact O-C 3.55Å; I720-L723 WeakPolarHBondContact O-CA 3.47Å; I720-L723 PolarHBondContact O-N 3.22Å; I720-Q724 PolarHBondContact O-N 3.23Å; I720-I731 HydrophobicContact CD1-CD1 4.46Å; I720-I731 HydrophobicContact CG2-CD1 4.28Å; I720-I731 HydrophobicContact CG2-CG1 4.43Å; I720-I731 HydrophobicContact CG2-CG2 3.7Å
721V75.8Confident81.5Confident0 Ų021 Ų210%010%0.099CC..Hα-helixtrans-56.1-42.7178.5169.90000112.3V715 L717 P718 L723 Q724 V747 P749V715-V721 HydrophobicContact CG1-CG2 4.18Å; V715-V721 WeakPolarHBondContact O-CG2 3.41Å; L717-V721 WeakPolarHBondContact O-CG2 3.33Å; L717-V721 PolarHBondContact O-N 3.34Å; P718-V721 WeakPolarHBondContact O-CB 3.46Å; P718-V721 PolarHBondContact O-N 3.25Å; V721-L723 PolarHBondContact O-N 3.36Å; V721-Q724 WeakPolarHBondContact O-CG 3.35Å; V721-Q724 PolarHBondContact O-N 2.92Å; V721-Q724 PolarHBondContact O-NE2 3.45Å; V721-V747 HydrophobicContact CG2-CG1 4.24Å; V721-P749 VanDerWaalsContact CG1-CA 3.47Å; V721-P749 HydrophobicContact CG1-CB 4.12Å; V721-P749 VanDerWaalsContact CG1-O 3.23Å; V721-P749 WeakPolarHBondContact CG1-O 3.48Å
722V78.7Confident81.3Confident22 Ų2220 Ų2013%0.13310%0.099CC..THydrogen-bonded Turntrans-70.5-20.4177.7172.50000112.7L161 W292 R328 P718 I720 F753L161-V722 HydrophobicContact CD2-CG1 4.33Å; W292-V722 WeakPolarHBondContact CZ2-O 3.5Å; R328-V722 PolarHBondContact NH1-O 3.1Å; R328-V722 PolarHBondContact NH2-O 3.36Å; R328-V722 VanDerWaalsContact NH2-O 3.08Å; P718-V722 WeakPolarHBondContact O-CG2 3.15Å; P718-V722 PolarHBondContact O-N 2.79Å; P718-V722 VanDerWaalsContact O-N 3.11Å; I720-V722 VanDerWaalsContact C-N 3.32Å; I720-V722 PolarHBondContact O-N 3.07Å; V722-F753 HydrophobicContact CG2-CZ 4.17Å
723L87.1Confident81.3Confident0 Ų018.4 Ų18.40%09%0.088CC..THydrogen-bonded Turntrans-999.3-179.7-60.2-178.5000113.8I437 C441 L580 E719 I720 V721 G725 F726 L729 I731I437-L723 HydrophobicContact CG2-CD1 4.46Å; I437-L723 HydrophobicContact CG2-CD2 4.11Å; C441-L723 WeakPolarHBondContact SG-CD2 3.28Å; L580-L723 HydrophobicContact CD1-CD1 4.06Å; L580-L723 HydrophobicContact CD2-CD1 3.9Å; E719-L723 WeakPolarHBondContact O-CD1 3.4Å; E719-L723 WeakPolarHBondContact O-CG 3.24Å; I720-L723 CarbonylContact O-C 3.55Å; I720-L723 WeakPolarHBondContact O-CA 3.47Å; I720-L723 PolarHBondContact O-N 3.22Å; V721-L723 PolarHBondContact O-N 3.36Å; L723-G725 PolarHBondContact O-N 3.45Å; L723-F726 WeakPolarHBondContact O-CB 3.37Å; L723-F726 PolarHBondContact O-N 3.16Å; L723-F726 VanDerWaalsContact O-N 3.08Å; L723-L729 HydrophobicContact CD1-CD1 3.99Å; L723-I731 HydrophobicContact CB-CD1 3.5Å; L723-I731 VanDerWaalsContact CB-CD1 3.5Å; L723-I731 HydrophobicContact CD1-CD1 4.4Å
724Q84.2Confident81Confident9 Ų916.1 Ų16.14%0.0428%0.081CC..THydrogen-bonded Turntrans-50.7137.4169.8-76.7178.378.600112.4P296 R328 I720 V721 F726 I731P296-Q724 HydrophobicContact CB-CB 3.88Å; P296-Q724 HydrophobicContact CG-CB 4.32Å; R328-Q724 PolarHBondContact NH2-O 3.38Å; I720-Q724 PolarHBondContact O-N 3.23Å; V721-Q724 WeakPolarHBondContact O-CG 3.35Å; V721-Q724 PolarHBondContact O-N 2.92Å; V721-Q724 PolarHBondContact O-NE2 3.45Å; Q724-F726 PolarHBondContact O-N 2.94Å; Q724-I731 HydrophobicContact CG-CG2 4.47Å
725G83.1Confident80.4Confident0 Ų018.6 Ų18.60%09%0.089CC..THydrogen-bonded Turntrans79.2-7-177.900000114.8L723 Q727L723-G725 PolarHBondContact O-N 3.45Å; G725-Q727 PolarHBondContact O-N 2.96Å; G725-Q727 VanDerWaalsContact O-N 3.15Å; G725-Q727 PolarHBondContact O-NE2 3.45Å
726F89.8Confident80.3Confident0 Ų021.7 Ų21.70%011%0.111CC..  trans-76.798.7-179.3-174.3-115.5000111.7I327 A331 C441 F444 L723 Q724 P728 L729 L730I327-F726 HydrophobicContact CG2-CE2 4.43Å; A331-F726 HydrophobicContact CB-CD2 3.57Å; A331-F726 HydrophobicContact CB-CE2 3.45Å; A331-F726 VanDerWaalsContact CB-CE2 3.45Å; C441-F726 HydrophobicContact CB-CE1 4.42Å; C441-F726 HydrophobicContact CB-CE2 4.33Å; C441-F726 HydrophobicContact CB-CZ 3.94Å; C441-F726 WeakPolarHBondContact O-CZ 3.38Å; F444-F726 HydrophobicContact CB-CE1 4.12Å; F444-F726 HydrophobicContact CB-CZ 4.28Å; F444-F726 HydrophobicContact CD2-CE1 4.29Å; L723-F726 WeakPolarHBondContact O-CB 3.37Å; L723-F726 PolarHBondContact O-N 3.16Å; L723-F726 VanDerWaalsContact O-N 3.08Å; Q724-F726 PolarHBondContact O-N 2.94Å; F726-P728 VanDerWaalsContact C-CD 3.47Å; F726-P728 HydrophobicContact CD1-CB 4.39Å; F726-P728 HydrophobicContact CD1-CG 4.48Å; F726-P728 HydrophobicContact CD2-CG 4.41Å; F726-P728 HydrophobicContact CE1-CB 3.77Å; F726-P728 HydrophobicContact CE1-CG 3.94Å; F726-P728 HydrophobicContact CE2-CG 3.87Å; F726-P728 HydrophobicContact CZ-CB 3.88Å; F726-P728 HydrophobicContact CZ-CG 3.6Å; F726-L729 HydrophobicContact CD1-CB 4.18Å; F726-L729 HydrophobicContact CD1-CD1 3.98Å; F726-L729 HydrophobicContact CD1-CG 3.99Å; F726-L729 HydrophobicContact CE1-CD1 4.19Å; F726-L729 HydrophobicContact CE1-CG 4.09Å; F726-L729 PolarHBondContact O-N 2.9Å; F726-L730 PolarHBondContact O-N 3.48Å
727Q88.2Confident80.2Confident54 Ų5417.7 Ų17.725%0.2529%0.094SC..G310 helixtrans-58.8-33.5-171.7-63.4-61.9-56.600115.6A331 R589 G725 L729 L730A331-Q727 WeakPolarHBondContact O-CB 3.22Å; A331-Q727 WeakPolarHBondContact O-CG 3.44Å; A331-Q727 PolarHBondContact O-N 3.37Å; R589-Q727 PolarHBondContact NH2-O 3.28Å; G725-Q727 PolarHBondContact O-N 2.96Å; G725-Q727 VanDerWaalsContact O-N 3.15Å; G725-Q727 PolarHBondContact O-NE2 3.45Å; Q727-L729 PolarHBondContact O-N 2.98Å; Q727-L730 WeakPolarHBondContact O-CD2 3.26Å; Q727-L730 PolarHBondContact O-N 3.25Å; Q727-L730 VanDerWaalsContact O-N 3.09Å
728P87.7Confident79.7Confident1 Ų120 Ų201%0.00611%0.11CC..G310 helixtrans-60.7-25.4177.6-28.837.9000114.6A331 F444 Y445 D448 F726A331-P728 HydrophobicContact CB-CG 4.24Å; F444-P728 HydrophobicContact CB-CB 3.99Å; Y445-P728 HydrophobicContact CD2-CG 4.41Å; D448-P728 HydrophobicContact CB-CB 4.15Å; D448-P728 HydrophobicContact CB-CG 4.33Å; F726-P728 VanDerWaalsContact C-CD 3.47Å; F726-P728 HydrophobicContact CD1-CB 4.39Å; F726-P728 HydrophobicContact CD1-CG 4.48Å; F726-P728 HydrophobicContact CD2-CG 4.41Å; F726-P728 HydrophobicContact CE1-CB 3.77Å; F726-P728 HydrophobicContact CE1-CG 3.94Å; F726-P728 HydrophobicContact CE2-CG 3.87Å; F726-P728 HydrophobicContact CZ-CB 3.88Å; F726-P728 HydrophobicContact CZ-CG 3.6Å
729L85.7Confident79.3Confident4 Ų424.8 Ų24.82%0.02114%0.143CC..G310 helixtrans-103-3.3174.6-68.7174.8000113.9F444 L580 W584 L723 F726 Q727 I731F444-L729 HydrophobicContact CD2-CD1 4.07Å; F444-L729 HydrophobicContact CD2-CD2 4.08Å; F444-L729 HydrophobicContact CD2-CG 4.12Å; F444-L729 HydrophobicContact CE2-CD1 4.1Å; F444-L729 HydrophobicContact CE2-CD2 4.08Å; F444-L729 HydrophobicContact CE2-CG 4.42Å; F444-L729 HydrophobicContact CG-CD2 4.4Å; F444-L729 HydrophobicContact CZ-CD2 4.39Å; L580-L729 HydrophobicContact CD2-CD1 4.09Å; W584-L729 HydrophobicContact CB-CD2 3.64Å; W584-L729 HydrophobicContact CG-CD2 4.23Å; L723-L729 HydrophobicContact CD1-CD1 3.99Å; F726-L729 HydrophobicContact CD1-CB 4.18Å; F726-L729 HydrophobicContact CD1-CD1 3.98Å; F726-L729 HydrophobicContact CD1-CG 3.99Å; F726-L729 HydrophobicContact CE1-CD1 4.19Å; F726-L729 HydrophobicContact CE1-CG 4.09Å; F726-L729 PolarHBondContact O-N 2.9Å; Q727-L729 PolarHBondContact O-N 2.98Å; L729-I731 HydrophobicContact CB-CD1 3.78Å; L729-I731 HydrophobicContact CB-CG1 3.79Å; L729-I731 HydrophobicContact CD1-CD1 3.84Å; L729-I731 HydrophobicContact CG-CD1 4.48Å; L729-I731 PolarHBondContact O-N 3.12Å; L729-I731 VanDerWaalsContact O-N 3.17Å
730L84.3Confident78.5Confident62 Ų6228.7 Ų28.733%0.32517%0.171SC..THydrogen-bonded Turntrans52.432.2-177.8-57.6171.6000114N588 F726 Q727 P732N588-L730 HydrophobicContact CB-CD1 4.24Å; F726-L730 PolarHBondContact O-N 3.48Å; Q727-L730 WeakPolarHBondContact O-CD2 3.26Å; Q727-L730 PolarHBondContact O-N 3.25Å; Q727-L730 VanDerWaalsContact O-N 3.09Å; L730-P732 WeakPolarHBondContact O-CD 3.49Å
731I82.7Confident77.4Confident4 Ų430.2 Ų30.22%0.02118%0.182CC..PPolyproline II helixtrans-71.3116.1-178.8-64.4167.4000109.3W711 I720 L723 Q724 L729W711-I731 HydrophobicContact CH2-CB 4.42Å; W711-I731 HydrophobicContact CH2-CG1 3.75Å; W711-I731 HydrophobicContact CZ3-CB 4.35Å; W711-I731 HydrophobicContact CZ3-CG1 3.79Å; W711-I731 HydrophobicContact CZ3-CG2 4.36Å; I720-I731 HydrophobicContact CD1-CD1 4.46Å; I720-I731 HydrophobicContact CG2-CD1 4.28Å; I720-I731 HydrophobicContact CG2-CG1 4.43Å; I720-I731 HydrophobicContact CG2-CG2 3.7Å; L723-I731 HydrophobicContact CB-CD1 3.5Å; L723-I731 VanDerWaalsContact CB-CD1 3.5Å; L723-I731 HydrophobicContact CD1-CD1 4.4Å; Q724-I731 HydrophobicContact CG-CG2 4.47Å; L729-I731 HydrophobicContact CB-CD1 3.78Å; L729-I731 HydrophobicContact CB-CG1 3.79Å; L729-I731 HydrophobicContact CD1-CD1 3.84Å; L729-I731 HydrophobicContact CG-CD1 4.48Å; L729-I731 PolarHBondContact O-N 3.12Å; L729-I731 VanDerWaalsContact O-N 3.17Å
732P78.8Confident76.3Confident24 Ų2435.7 Ų35.716%0.15622%0.216CC..PPolyproline II helixtrans-69.5155.8-179.130.6-35.6000111.1W711 L730 L737W711-P732 HydrophobicContact CB-CG 3.53Å; W711-P732 HydrophobicContact CD2-CG 3.81Å; W711-P732 HydrophobicContact CE3-CG 4.41Å; W711-P732 HydrophobicContact CG-CG 3.42Å; W711-P732 VanDerWaalsContact CG-CG 3.42Å; L730-P732 WeakPolarHBondContact O-CD 3.49Å; P732-L737 HydrophobicContact CB-CD2 4.33Å; P732-L737 HydrophobicContact CG-CD2 3.92Å; P732-L737 HydrophobicContact CG-CG 4.3Å
733T79.1Confident75.3Confident11 Ų1139.1 Ų39.17%0.06723%0.233CC..PPolyproline II helixtrans-85.9154.8178.365.40000110.7P296 D297 R735 S736 L737P296-T733 HydrophobicContact CB-CG2 4.23Å; P296-T733 HydrophobicContact CG-CG2 3.67Å; D297-T733 WeakPolarHBondContact OD1-CG2 3.16Å; D297-T733 VanDerWaalsContact OD2-CG2 3.25Å; D297-T733 WeakPolarHBondContact OD2-CG2 3.32Å; T733-R735 PolarHBondContact O-N 2.9Å; T733-R735 VanDerWaalsContact O-N 3.12Å; T733-S736 WeakPolarHBondContact O-CA 3Å; T733-S736 WeakPolarHBondContact O-CB 3.49Å; T733-S736 PolarHBondContact O-N 2.74Å; T733-L737 PolarHBondContact O-N 3.34Å; T733-L737 VanDerWaalsContact O-N 3.1Å
734Q72.6Confident73.8Confident27 Ų2740.1 Ų40.113%0.12624%0.237CC..Hα-helixtrans-57.1-29.3179.2-75.3-179.325.800113.2V715 L737 C738 Y744 V747V715-Q734 HydrophobicContact CG1-CG 3.91Å; Q734-L737 PolarHBondContact O-N 3.36Å; Q734-C738 PolarHBondContact O-N 2.98Å; Q734-C738 PolarHBondContact O-SG 3.46Å; Q734-C738 VanDerWaalsContact O-SG 3.36Å; Q734-Y744 HydrophobicContact CB-CE1 4.35Å; Q734-Y744 HydrophobicContact CG-CE1 4.27Å; Q734-V747 PolarHBondContact NE2-O 3.28Å; Q734-V747 PolarHBondContact OE1-O 3.1Å; Q734-V747 VanDerWaalsContact OE1-O 3.14Å
735R69.5Low72.5Confident66 Ų6645.5 Ų45.525%0.24927%0.266CS..Hα-helixtrans-61.5-51.5171-175.1179.1-54.1117.322111.5V294 T733 L737 C738 S739V294-R735 PolarHBondContact O-NH2 3.44Å; T733-R735 PolarHBondContact O-N 2.9Å; T733-R735 VanDerWaalsContact O-N 3.12Å; R735-L737 PolarHBondContact O-N 2.69Å; R735-C738 PolarHBondContact O-N 3.34Å; R735-C738 VanDerWaalsContact O-N 3.16Å; R735-S739 PolarHBondContact O-N 3.32Å; R735-S739 PolarHBondContact O-OG 3.47Å
736S73.8Confident71.3Confident65 Ų6547.5 Ų47.546%0.45528%0.279SS..Hα-helixtrans-56.1-36.1177.5-1700000111.9T733 S740T733-S736 WeakPolarHBondContact O-CA 3Å; T733-S736 WeakPolarHBondContact O-CB 3.49Å; T733-S736 PolarHBondContact O-N 2.74Å; S736-S740 PolarHBondContact O-N 3.21Å; S736-S740 PolarHBondContact O-OG 3.06Å
737L72.8Confident69.8Low8 Ų848.6 Ų48.64%0.04229%0.286CS..Hα-helixtrans-71.9-45.2176.6-63.5179.6000112.6W711 T712 V715 P732 T733 Q734 R735 S739 S740 S741 Y744W711-L737 HydrophobicContact CB-CD1 4.46Å; W711-L737 HydrophobicContact CB-CD2 3.78Å; T712-L737 HydrophobicContact CG2-CD2 4.29Å; V715-L737 HydrophobicContact CB-CD1 3.75Å; V715-L737 HydrophobicContact CG1-CD1 4.06Å; V715-L737 HydrophobicContact CG2-CD1 3.71Å; P732-L737 HydrophobicContact CB-CD2 4.33Å; P732-L737 HydrophobicContact CG-CD2 3.92Å; P732-L737 HydrophobicContact CG-CG 4.3Å; T733-L737 PolarHBondContact O-N 3.34Å; T733-L737 VanDerWaalsContact O-N 3.1Å; Q734-L737 PolarHBondContact O-N 3.36Å; R735-L737 PolarHBondContact O-N 2.69Å; L737-S739 VanDerWaalsContact C-N 3.29Å; L737-S739 PolarHBondContact O-N 3.02Å; L737-S740 WeakPolarHBondContact CA-OG 3.39Å; L737-S740 PolarHBondContact O-N 2.91Å; L737-S740 PolarHBondContact O-OG 3.13Å; L737-S741 PolarHBondContact O-N 3.39Å; L737-Y744 HydrophobicContact CB-CD1 3.78Å; L737-Y744 HydrophobicContact CB-CE1 3.88Å; L737-Y744 HydrophobicContact CB-CG 4.21Å; L737-Y744 HydrophobicContact CD1-CE1 4.38Å; L737-Y744 HydrophobicContact CD1-CE2 4.36Å
738C65.1Low68.4Low52 Ų5248.8 Ų48.835%0.35129%0.287SS..Hα-helixtrans-58.3-38.4172.6-71.40000112.9Q734 R735 S740Q734-C738 PolarHBondContact O-N 2.98Å; Q734-C738 PolarHBondContact O-SG 3.46Å; Q734-C738 VanDerWaalsContact O-SG 3.36Å; R735-C738 PolarHBondContact O-N 3.34Å; R735-C738 VanDerWaalsContact O-N 3.16Å; C738-S740 VanDerWaalsContact C-N 3.28Å; C738-S740 PolarHBondContact O-N 3.49Å
739S64.2Low66.7Low103 Ų10349.4 Ų49.472%0.7229%0.291SS*.Hα-helixtrans-66.7-29.6175.3-59.20000112.8R735 L737R735-S739 PolarHBondContact O-N 3.32Å; R735-S739 PolarHBondContact O-OG 3.47Å; L737-S739 VanDerWaalsContact C-N 3.29Å; L737-S739 PolarHBondContact O-N 3.02Å
740S62.7Low65.2Low86 Ų8650.4 Ų50.460%0.60130%0.295SS*.Hα-helixtrans-90.1-16.7-178.869.90000115.1S736 L737 C738S736-S740 PolarHBondContact O-N 3.21Å; S736-S740 PolarHBondContact O-OG 3.06Å; L737-S740 WeakPolarHBondContact CA-OG 3.39Å; L737-S740 PolarHBondContact O-N 2.91Å; L737-S740 PolarHBondContact O-OG 3.13Å; C738-S740 VanDerWaalsContact C-N 3.28Å; C738-S740 PolarHBondContact O-N 3.49Å
741S58.4Low63.7Low37 Ų3749.7 Ų49.726%0.25929%0.291SS..  trans-147.8118.2-171.2-175.10000112.3L737 D743 Y744L737-S741 PolarHBondContact O-N 3.39Å; S741-D743 PolarHBondContact O-N 3.09Å; S741-Y744 PolarHBondContact O-N 3.4Å
742T54.7Low62.1Low115 Ų11554 Ų5471%0.70631%0.314SS*.THydrogen-bonded Turntrans-61.6-24.3176.848.40000113.9
743D56.1Low60.8Low94 Ų9454.1 Ų54.150%0.50331%0.312SS..THydrogen-bonded Turntrans-100.5-5.2-168.7-57.64.7000111.3Q646 S741 N745Q646-D743 PolarHBondContact NE2-OD2 3.02Å; S741-D743 PolarHBondContact O-N 3.09Å; D743-N745 PolarHBondContact O-N 3.46Å
744Y56.1Low59.3Low21 Ų2156.9 Ų56.98%0.08233%0.332CS..  trans-79.9108.5-178.3-178.5-101000112.4T712 Q734 L737 S741T712-Y744 WeakPolarHBondContact O-CE2 3.43Å; Q734-Y744 HydrophobicContact CB-CE1 4.35Å; Q734-Y744 HydrophobicContact CG-CE1 4.27Å; L737-Y744 HydrophobicContact CB-CD1 3.78Å; L737-Y744 HydrophobicContact CB-CE1 3.88Å; L737-Y744 HydrophobicContact CB-CG 4.21Å; L737-Y744 HydrophobicContact CD1-CE1 4.38Å; L737-Y744 HydrophobicContact CD1-CE2 4.36Å; S741-Y744 PolarHBondContact O-N 3.4Å
745N56.9Low58.3Low122 Ų12256.9 Ų56.965%0.65233%0.333SS*.PPolyproline II helixtrans-83126171.8-77.7-85.7000111D743 V747D743-N745 PolarHBondContact O-N 3.46Å; N745-V747 PolarHBondContact O-N 3.34Å
746P57.1Low57.2Low42 Ų4258.4 Ų58.427%0.27335%0.346SS..PPolyproline II helixtrans-54.7130.6176.5-29.736.9000113.7P128P128-P746 HydrophobicContact CB-CG 4.13Å; P128-P746 HydrophobicContact CG-CG 4.41Å
747V58.6Low56Low23 Ų2360.6 Ų60.614%0.13935%0.347CS..PPolyproline II helixtrans-88.4127.5-178.6174.60000109.4K716 V721 Q734 N745 P749 L751K716-V747 HydrophobicContact CG-CG2 4.39Å; V721-V747 HydrophobicContact CG2-CG1 4.24Å; Q734-V747 PolarHBondContact NE2-O 3.28Å; Q734-V747 PolarHBondContact OE1-O 3.1Å; Q734-V747 VanDerWaalsContact OE1-O 3.14Å; N745-V747 PolarHBondContact O-N 3.34Å; V747-P749 VanDerWaalsContact O-N 3.08Å; V747-L751 HydrophobicContact CG1-CD1 3.64Å; V747-L751 HydrophobicContact CG1-CD2 3.88Å; V747-L751 HydrophobicContact CG1-CG 3.79Å
748H59.7Low54.7Low58 Ų5860.5 Ų60.527%0.26935%0.347SS..PPolyproline II helixtrans-56.3119.7177-171-103.6000109.7N169 F750 L751N169-H748 PolarHBondContact OD1-CE1 2.93Å; N169-H748 VanDerWaalsContact OD1-CE1 3.27Å; H748-F750 AromaticContact CE1-CD2 3.84Å; H748-F750 PolarHBondContact ND1-O 3.05Å; H748-F750 VanDerWaalsContact ND1-O 3.1Å; H748-F750 CarbonylContact O-C 3.58Å; H748-F750 PolarHBondContact O-N 2.92Å; H748-F750 VanDerWaalsContact O-N 3.08Å; H748-L751 WeakPolarHBondContact O-CG 3.5Å; H748-L751 PolarHBondContact O-N 3.38Å
749P51.4Low53.7Low13 Ų1360.7 Ų60.78%0.08434%0.34CS..SBendtrans-65.3-25-164.624.7-35.5000112.7W292 V293 V721 V747 L751W292-P749 HydrophobicContact CH2-CB 4.5Å; V293-P749 HydrophobicContact CB-CG 4.23Å; V293-P749 HydrophobicContact CG1-CG 3.73Å; V293-P749 HydrophobicContact CG2-CB 3.85Å; V293-P749 HydrophobicContact CG2-CG 3.43Å; V293-P749 VanDerWaalsContact CG2-CG 3.43Å; V721-P749 VanDerWaalsContact CG1-CA 3.47Å; V721-P749 HydrophobicContact CG1-CB 4.12Å; V721-P749 VanDerWaalsContact CG1-O 3.23Å; V721-P749 WeakPolarHBondContact CG1-O 3.48Å; V747-P749 VanDerWaalsContact O-N 3.08Å; P749-L751 PolarHBondContact O-N 3.33Å
750F55.2Low52.8Low26 Ų2660.3 Ų60.311%0.11433%0.328CS..SBendtrans-9373.6171.7-51.3-59.6000108.8T165 N169 L289 W290 W292 V293 H748T165-F750 HydrophobicContact CG2-CB 3.49Å; T165-F750 VanDerWaalsContact CG2-CB 3.49Å; T165-F750 HydrophobicContact CG2-CD1 3.38Å; T165-F750 HydrophobicContact CG2-CE1 4.32Å; T165-F750 HydrophobicContact CG2-CG 3.61Å; N169-F750 PolarHBondContact ND2-O 3.14Å; N169-F750 PolarHBondContact OD1-O 2.88Å; L289-F750 HydrophobicContact CB-CZ 4.18Å; W290-F750 HydrophobicContact CD2-CE2 4.39Å; W290-F750 AromaticContact CE2-CE2 4Å; W290-F750 HydrophobicContact CE3-CE2 4.37Å; W290-F750 AromaticContact CH2-CD2 3.87Å; W290-F750 HydrophobicContact CH2-CD2 3.87Å; W290-F750 AromaticContact CH2-CE2 3.53Å; W290-F750 HydrophobicContact CH2-CE2 3.53Å; W290-F750 AromaticContact CZ2-CD2 3.99Å; W290-F750 HydrophobicContact CZ2-CD2 3.99Å; W290-F750 AromaticContact CZ2-CE2 3.54Å; W290-F750 HydrophobicContact CZ2-CE2 3.54Å; W290-F750 AromaticContact CZ3-CE2 3.98Å; W290-F750 HydrophobicContact CZ3-CE2 3.98Å; W292-F750 HydrophobicContact CZ3-CE1 4.26Å; V293-F750 HydrophobicContact CG2-CE2 3.99Å; V293-F750 HydrophobicContact CG2-CZ 3.78Å; H748-F750 AromaticContact CE1-CD2 3.84Å; H748-F750 PolarHBondContact ND1-O 3.05Å; H748-F750 VanDerWaalsContact ND1-O 3.1Å; H748-F750 CarbonylContact O-C 3.58Å; H748-F750 PolarHBondContact O-N 2.92Å; H748-F750 VanDerWaalsContact O-N 3.08Å
751L51.4Low51.9Low47 Ų4757.2 Ų57.225%0.24630%0.304CS..  trans-73.8160.2168.4-75.3-174.9000111K716 P718 V747 H748 P749K716-L751 VanDerWaalsContact O-CD1 3.23Å; K716-L751 WeakPolarHBondContact O-CD1 3.41Å; P718-L751 HydrophobicContact CB-CB 4.09Å; P718-L751 HydrophobicContact CB-CD1 4.48Å; P718-L751 HydrophobicContact CG-CB 3.75Å; P718-L751 HydrophobicContact CG-CD1 3.79Å; P718-L751 HydrophobicContact CG-CG 4.45Å; V747-L751 HydrophobicContact CG1-CD1 3.64Å; V747-L751 HydrophobicContact CG1-CD2 3.88Å; V747-L751 HydrophobicContact CG1-CG 3.79Å; H748-L751 WeakPolarHBondContact O-CG 3.5Å; H748-L751 PolarHBondContact O-N 3.38Å; P749-L751 PolarHBondContact O-N 3.33Å
752D49.4Very low51.3Low95 Ų9557.2 Ų57.251%0.50830%0.301SS..  trans-75.9132167.2-156.8-35.1000109.8F166 S754F166-D752 HydrophobicContact CE1-CB 4.28Å; F166-D752 WeakPolarHBondContact CE1-OD1 3.48Å; D752-S754 WeakPolarHBondContact OD1-CB 3.35Å; D752-S754 PolarHBondContact OD1-N 3.37Å; D752-S754 PolarHBondContact OD1-OG 3.24Å
753F51.1Low50.9Low25 Ų2553.2 Ų53.211%0.1128%0.275CS..  trans-84.3-11.9175.5-77.6-67.4000113.2D162 K433 P718 V722 D755D162-F753 WeakPolarHBondContact OD1-CD2 3.36Å; D162-F753 WeakPolarHBondContact OD1-CE2 3.23Å; K433-F753 HydrophobicContact CD-CD1 4.12Å; K433-F753 HydrophobicContact CD-CE1 4.42Å; K433-F753 HydrophobicContact CD-CG 4.29Å; P718-F753 HydrophobicContact CB-CD1 3.34Å; P718-F753 HydrophobicContact CB-CE1 3.26Å; P718-F753 HydrophobicContact CB-CG 4.25Å; P718-F753 HydrophobicContact CB-CZ 4.07Å; P718-F753 HydrophobicContact CG-CD1 4.17Å; P718-F753 HydrophobicContact CG-CE1 4.5Å; V722-F753 HydrophobicContact CG2-CZ 4.17Å; F753-D755 PolarHBondContact O-N 3.35Å
754S49.2Very low50Low69 Ų6953.3 Ų53.348%0.48328%0.28SS..  trans-85.897.6-169.5-35.40000111.5D752D752-S754 WeakPolarHBondContact OD1-CB 3.35Å; D752-S754 PolarHBondContact OD1-N 3.37Å; D752-S754 PolarHBondContact OD1-OG 3.24Å
755D50.9Low48.9Very low28 Ų2858.8 Ų58.815%0.1531%0.311CS..  trans-135.872.4171.8-147.811.7000108.9F753 K757 K774F753-D755 PolarHBondContact O-N 3.35Å; D755-K757 PolarHBondContact O-N 2.9Å; D755-K774 IonicContact OD1-NZ 2.73Å; D755-K774 PolarHBondContact OD1-NZ 2.71Å
756D46.9Very low47.9Very low97 Ų9760.3 Ų60.352%0.51932%0.319SS..G310 helixtrans-63.3-0.8-165.7-52.9-37.7000115.4L758D756-L758 PolarHBondContact O-N 3.05Å
757K48.7Very low47.1Very low112 Ų11267.4 Ų67.449%0.48735%0.349SS..G310 helixtrans-86.36-173.6-91.4179.6159.3-76.50115.6D755 Y759 E760D755-K757 PolarHBondContact O-N 2.9Å; K757-Y759 PolarHBondContact O-N 3.24Å; K757-E760 IonicContact NZ-OE1 3.22Å; K757-E760 PolarHBondContact NZ-OE1 2.92Å; K757-E760 IonicContact NZ-OE2 3.17Å; K757-E760 PolarHBondContact NZ-OE2 2.92Å; K757-E760 PolarHBondContact O-N 2.97Å; K757-E760 VanDerWaalsContact O-N 3.08Å
758L45.6Very low46.1Very low5 Ų573.7 Ų73.73%0.02638%0.381CS..G310 helixtrans-58.1-14.4175.2-102.4177.4000114.5L572 L575 D756 E760 L761 I762L572-L758 HydrophobicContact CB-CD1 3.82Å; L572-L758 HydrophobicContact CD1-CD1 3.46Å; L572-L758 VanDerWaalsContact CD1-CD1 3.46Å; L572-L758 HydrophobicContact CG-CD1 4.18Å; L575-L758 HydrophobicContact CD2-CD1 3.87Å; L575-L758 HydrophobicContact CD2-CD2 4.02Å; D756-L758 PolarHBondContact O-N 3.05Å; L758-E760 VanDerWaalsContact C-N 3.29Å; L758-E760 PolarHBondContact O-N 3.36Å; L758-L761 HydrophobicContact CD2-CB 4.01Å; L758-L761 HydrophobicContact CD2-CD1 3.84Å; L758-L761 PolarHBondContact O-N 2.98Å; L758-L761 VanDerWaalsContact O-N 3.16Å; L758-I762 HydrophobicContact CB-CD1 4.48Å; L758-I762 HydrophobicContact CD2-CD1 4.36Å; L758-I762 PolarHBondContact O-N 3.01Å
759Y42.4Very low44.8Very low56 Ų5677.9 Ų77.922%0.2241%0.406CS..Hα-helixtrans-60.7-35.2172.6-116.1-86.4000113.5T503 K564 I567 A568 K571 K757 L761 I763T503-Y759 VanDerWaalsContact CG2-OH 3.31Å; T503-Y759 WeakPolarHBondContact CG2-OH 3.36Å; K564-Y759 WeakPolarHBondContact O-CE2 3.49Å; I567-Y759 HydrophobicContact CB-CE2 4.22Å; I567-Y759 HydrophobicContact CG2-CE2 3.79Å; I567-Y759 WeakPolarHBondContact CG2-OH 3.42Å; A568-Y759 HydrophobicContact CB-CD2 3.76Å; A568-Y759 HydrophobicContact CB-CE2 4.14Å; K571-Y759 HydrophobicContact CD-CE2 4.41Å; K571-Y759 VanDerWaalsContact NZ-CE1 3.34Å; K571-Y759 VanDerWaalsContact NZ-CZ 3.28Å; K757-Y759 PolarHBondContact O-N 3.24Å; Y759-L761 PolarHBondContact O-N 3.33Å; Y759-I763 HydrophobicContact CD1-CD1 3.98Å; Y759-I763 HydrophobicContact CE1-CD1 3.8Å
760E45.7Very low44Very low96 Ų9683.3 Ų83.345%0.44944%0.439SS..Hα-helixtrans-68.2-12.3176.6-77.6150.5-139.100112.9K757 L758K757-E760 IonicContact NZ-OE1 3.22Å; K757-E760 PolarHBondContact NZ-OE1 2.92Å; K757-E760 IonicContact NZ-OE2 3.17Å; K757-E760 PolarHBondContact NZ-OE2 2.92Å; K757-E760 PolarHBondContact O-N 2.97Å; K757-E760 VanDerWaalsContact O-N 3.08Å; L758-E760 VanDerWaalsContact C-N 3.29Å; L758-E760 PolarHBondContact O-N 3.36Å
761L45.3Very low43.2Very low21 Ų2185.5 Ų85.511%0.1146%0.457CS..Hα-helixtrans-109.8-9.3-173.5-74.9167.7000114.2Y630 L758 Y759 P773Y630-L761 HydrophobicContact CE1-CD2 4.24Å; Y630-L761 WeakPolarHBondContact OH-CA 3.24Å; Y630-L761 VanDerWaalsContact OH-CB 3.3Å; Y630-L761 WeakPolarHBondContact OH-CB 3.41Å; Y630-L761 WeakPolarHBondContact OH-CD2 3.17Å; Y630-L761 PolarHBondContact OH-O 3.38Å; L758-L761 HydrophobicContact CD2-CB 4.01Å; L758-L761 HydrophobicContact CD2-CD1 3.84Å; L758-L761 PolarHBondContact O-N 2.98Å; L758-L761 VanDerWaalsContact O-N 3.16Å; Y759-L761 PolarHBondContact O-N 3.33Å; L761-P773 HydrophobicContact CD1-CB 3.86Å; L761-P773 HydrophobicContact CD2-CB 3.84Å; L761-P773 HydrophobicContact CD2-CG 3.94Å; L761-P773 HydrophobicContact CG-CB 4.22Å
762I46Very low42.4Very low37 Ų3793.9 Ų93.919%0.1949%0.486CS..Hα-helixtrans-115.3-15.2-173.9-63.7171.1000111.9T500 K571 L758T500-I762 HydrophobicContact CG2-CG2 3.84Å; K571-I762 HydrophobicContact CB-CD1 4.18Å; K571-I762 HydrophobicContact CD-CD1 4.16Å; L758-I762 HydrophobicContact CB-CD1 4.48Å; L758-I762 HydrophobicContact CD2-CD1 4.36Å; L758-I762 PolarHBondContact O-N 3.01Å
763I45.4Very low42.1Very low31 Ų3191.6 Ų91.616%0.15948%0.476CS..SBendtrans-128.2117.1177.6-58.5175000108.6Y759 N765Y759-I763 HydrophobicContact CD1-CD1 3.98Å; Y759-I763 HydrophobicContact CE1-CD1 3.8Å; I763-N765 WeakPolarHBondContact CG2-OD1 3.32Å; I763-N765 PolarHBondContact O-N 3.46Å
764P36.2Very low42.2Very low95 Ų9596.7 Ų96.762%0.61750%0.498SS*.  trans-76.888.9-179.931-34.5000111.3N766P764-N766 PolarHBondContact O-N 3.36Å
765N34.1Very low42.8Very low137 Ų13799.5 Ų99.573%0.73350%0.504SS*.  trans-83.186.1176-76.7-13.2000111.6I763I763-N765 WeakPolarHBondContact CG2-OD1 3.32Å; I763-N765 PolarHBondContact O-N 3.46Å
766N36.7Very low43.6Very low154 Ų154101 Ų10182%0.82451%0.511SS*.  trans61142.5173.7-67.4-14.4000116.9P764 N768P764-N766 PolarHBondContact O-N 3.36Å; N766-N768 PolarHBondContact O-N 2.98Å
767E39.3Very low44.6Very low191 Ų19196.7 Ų96.789%0.89349%0.489SS*.THydrogen-bonded Turntrans-73.93.8-163.5-58-179.3126.200116.1
768N37.5Very low45.6Very low154 Ų15493.1 Ų93.182%0.82448%0.475SS*.THydrogen-bonded Turntrans-122.41.8-159.5-71.5-56.2000117N766N766-N768 PolarHBondContact O-N 2.98Å
769D32.3Very low47Very low147 Ų14793.9 Ų93.979%0.78648%0.479SS*.  trans-138.675.9-177.1-149.2-14.6000113.4S771D769-S771 PolarHBondContact O-N 2.79Å
770V35.6Very low48.8Very low127 Ų12791.4 Ų91.477%0.7747%0.469SS*.  trans-83.178.1-176.8-172.10000111.1R772V770-R772 PolarHBondContact O-N 3.3Å
771S36.8Very low50.2Low72 Ų7287.1 Ų87.150%0.50345%0.449SS..  trans-61.9106.2162.854.10000109.6D769D769-S771 PolarHBondContact O-N 2.79Å
772R36.3Very low51.7Low223 Ų22386.6 Ų86.684%0.84245%0.446SS*.PPolyproline II helixtrans-54.2124.7-174.8-75.2-173.2179-173.80.5110.4V770V770-R772 PolarHBondContact O-N 3.3Å
773P41.6Very low53.4Low47 Ų4785.1 Ų85.131%0.30544%0.44SS..PPolyproline II helixtrans-63144174.128.2-36.4000110.3L761 L778L761-P773 HydrophobicContact CD1-CB 3.86Å; L761-P773 HydrophobicContact CD2-CB 3.84Å; L761-P773 HydrophobicContact CD2-CG 3.94Å; L761-P773 HydrophobicContact CG-CB 4.22Å; P773-L778 HydrophobicContact CG-CB 4.21Å
774K53.2Low55.2Low131 Ų13183.7 Ų83.757%0.5743%0.432SS*.PPolyproline II helixtrans-59.9145.8167.7-62.3-178.6-163.4156.50109.5D755 I776 G777D755-K774 IonicContact OD1-NZ 2.73Å; D755-K774 PolarHBondContact OD1-NZ 2.71Å; K774-I776 VanDerWaalsContact C-N 3.31Å; K774-I776 PolarHBondContact O-N 3.49Å; K774-I776 VanDerWaalsContact O-N 3.1Å; K774-G777 PolarHBondContact O-N 3.12Å
775E63.1Low57.3Low129 Ų12979.1 Ų79.160%0.60340%0.403SS*.Hα-helixtrans-40.9-54.5-173.6-60.2-179.1176.500113.2G777 L778 E779E775-G777 VanDerWaalsContact C-N 3.26Å; E775-G777 PolarHBondContact O-N 2.93Å; E775-G777 VanDerWaalsContact O-N 3.14Å; E775-L778 WeakPolarHBondContact O-CA 3.45Å; E775-L778 WeakPolarHBondContact O-CB 3.43Å; E775-L778 PolarHBondContact O-N 3.34Å; E775-E779 WeakPolarHBondContact O-CG 3.5Å; E775-E779 PolarHBondContact O-N 2.8Å
776I67.4Low59.4Low60 Ų6075 Ų7531%0.30838%0.382SS..Hα-helixtrans-55-37.2-174.7-44.6-179.1000113L717 K774 R780L717-I776 HydrophobicContact CD2-CG2 3.7Å; K774-I776 VanDerWaalsContact C-N 3.31Å; K774-I776 PolarHBondContact O-N 3.49Å; K774-I776 VanDerWaalsContact O-N 3.1Å; I776-R780 WeakPolarHBondContact O-CG 3.18Å; I776-R780 PolarHBondContact O-N 3Å
777G66.6Low61.5Low6 Ų667.7 Ų67.76%0.06234%0.344CS..Hα-helixtrans-69.4-42177.300000112.5K774 E775K774-G777 PolarHBondContact O-N 3.12Å; E775-G777 VanDerWaalsContact C-N 3.26Å; E775-G777 PolarHBondContact O-N 2.93Å; E775-G777 VanDerWaalsContact O-N 3.14Å
778L70.1Confident63.5Low36 Ų3658.8 Ų58.819%0.18830%0.303CS..Hα-helixtrans-67.6-40.3175.6-179.961.7000111.6L633 P773 E775 R780 V781 L782L633-L778 HydrophobicContact CD1-CD1 3.98Å; P773-L778 HydrophobicContact CG-CB 4.21Å; E775-L778 WeakPolarHBondContact O-CA 3.45Å; E775-L778 WeakPolarHBondContact O-CB 3.43Å; E775-L778 PolarHBondContact O-N 3.34Å; L778-R780 PolarHBondContact O-N 3.42Å; L778-V781 PolarHBondContact O-N 3.23Å; L778-L782 HydrophobicContact CD1-CD1 4.11Å; L778-L782 HydrophobicContact CD1-CG 4.12Å; L778-L782 HydrophobicContact CD2-CD1 4.45Å; L778-L782 HydrophobicContact CG-CD1 3.86Å; L778-L782 HydrophobicContact CG-CG 4.3Å; L778-L782 WeakPolarHBondContact O-CG 3.32Å; L778-L782 PolarHBondContact O-N 3.37Å
779E75.1Confident65.3Low22 Ų2256 Ų5610%0.10328%0.28CS..Hα-helixtrans-58.7-44.4177.1-68.8-44.5144.600112.6R713 L717 E775 V781 L782 C783R713-E779 WeakPolarHBondContact CD-OE2 3.33Å; R713-E779 HydrophobicContact CG-CG 4.5Å; R713-E779 WeakPolarHBondContact CG-OE2 3.41Å; R713-E779 IonicContact CZ-OE1 2.74Å; R713-E779 VanDerWaalsContact CZ-OE1 3.22Å; R713-E779 IonicContact CZ-OE2 2.71Å; R713-E779 IonicContact NE-OE1 4Å; R713-E779 PolarHBondContact NE-OE1 3.03Å; R713-E779 IonicContact NE-OE2 3.94Å; R713-E779 PolarHBondContact NE-OE2 2.75Å; R713-E779 VanDerWaalsContact NH2-CD 3.34Å; R713-E779 IonicContact NH2-OE1 3.18Å; R713-E779 PolarHBondContact NH2-OE1 3.12Å; R713-E779 IonicContact NH2-OE2 2.78Å; R713-E779 PolarHBondContact NH2-OE2 2.98Å; R713-E779 VanDerWaalsContact NH2-OE2 3.15Å; L717-E779 HydrophobicContact CD2-CB 3.94Å; E775-E779 WeakPolarHBondContact O-CG 3.5Å; E775-E779 PolarHBondContact O-N 2.8Å; E779-V781 VanDerWaalsContact C-N 3.29Å; E779-V781 PolarHBondContact O-N 2.69Å; E779-L782 PolarHBondContact O-N 2.88Å; E779-C783 WeakPolarHBondContact O-CB 3.43Å; E779-C783 PolarHBondContact O-N 2.64Å
780R79.8Confident67.6Low4 Ų449.7 Ų49.72%0.01525%0.246CC..Hα-helixtrans-57.9-42.3176.7-74.4170.6173.7132.70.8112L575 N579 L717 E719 I776 L778 L784L575-R780 HydrophobicContact CD2-CB 4.44Å; N579-R780 PolarHBondContact ND2-O 3.23Å; L717-R780 HydrophobicContact CD1-CG 4.18Å; L717-R780 HydrophobicContact CD2-CG 3.79Å; E719-R780 IonicContact OE1-CZ 2.61Å; E719-R780 IonicContact OE1-NE 2.75Å; E719-R780 PolarHBondContact OE1-NE 3.35Å; E719-R780 IonicContact OE1-NH2 3.15Å; E719-R780 PolarHBondContact OE1-NH2 3.02Å; E719-R780 IonicContact OE2-CZ 3.15Å; E719-R780 IonicContact OE2-NE 2.76Å; E719-R780 IonicContact OE2-NH2 3.65Å; E719-R780 PolarHBondContact OE2-NH2 3.13Å; I776-R780 WeakPolarHBondContact O-CG 3.18Å; I776-R780 PolarHBondContact O-N 3Å; L778-R780 PolarHBondContact O-N 3.42Å; R780-L784 PolarHBondContact O-N 3.06Å; R780-L784 VanDerWaalsContact O-N 3.12Å
781V75.9Confident69.6Low5 Ų543.7 Ų43.73%0.0321%0.209CC..Hα-helixtrans-75.5-40.7-178.4179.90000111.7Y630 L778 E779 C783 L784 L785Y630-V781 HydrophobicContact CD1-CG1 3.69Å; Y630-V781 HydrophobicContact CD2-CG1 3.73Å; Y630-V781 HydrophobicContact CE1-CB 4.26Å; Y630-V781 HydrophobicContact CE1-CG1 3.69Å; Y630-V781 HydrophobicContact CE2-CG1 3.73Å; Y630-V781 HydrophobicContact CG-CG1 3.73Å; L778-V781 PolarHBondContact O-N 3.23Å; E779-V781 VanDerWaalsContact C-N 3.29Å; E779-V781 PolarHBondContact O-N 2.69Å; V781-C783 VanDerWaalsContact C-N 3.34Å; V781-C783 PolarHBondContact O-N 3.06Å; V781-L784 WeakPolarHBondContact O-CB 3.38Å; V781-L784 PolarHBondContact O-N 3.42Å; V781-L785 HydrophobicContact CG1-CD1 3.63Å; V781-L785 HydrophobicContact CG1-CG 4.27Å; V781-L785 VanDerWaalsContact O-CG 3.28Å; V781-L785 WeakPolarHBondContact O-CG 3.32Å; V781-L785 PolarHBondContact O-N 3.21Å
782L76.9Confident71.4Confident10 Ų1040.9 Ų40.95%0.05219%0.19CC..Hα-helixtrans-64-38.9175.3-69.8175000112L633 L634 V637 L778 E779 L785 T786L633-L782 HydrophobicContact CB-CD2 4.46Å; L634-L782 HydrophobicContact CD2-CD2 4.31Å; V637-L782 HydrophobicContact CG2-CD1 4.02Å; V637-L782 HydrophobicContact CG2-CD2 4.12Å; L778-L782 HydrophobicContact CD1-CD1 4.11Å; L778-L782 HydrophobicContact CD1-CG 4.12Å; L778-L782 HydrophobicContact CD2-CD1 4.45Å; L778-L782 HydrophobicContact CG-CD1 3.86Å; L778-L782 HydrophobicContact CG-CG 4.3Å; L778-L782 WeakPolarHBondContact O-CG 3.32Å; L778-L782 PolarHBondContact O-N 3.37Å; E779-L782 PolarHBondContact O-N 2.88Å; L782-L785 PolarHBondContact O-N 3.32Å; L782-T786 WeakPolarHBondContact O-CB 3.18Å; L782-T786 WeakPolarHBondContact O-CG2 3.18Å; L782-T786 PolarHBondContact O-N 3.22Å; L782-T786 PolarHBondContact O-OG1 3.18Å
783C82Confident73.1Confident7 Ų736 Ų365%0.04718%0.18CC..Hα-helixtrans-61.2-45.1173.2-173.50000112.1L714 E779 V781 T786 S787L714-C783 HydrophobicContact CD2-CB 3.72Å; E779-C783 WeakPolarHBondContact O-CB 3.43Å; E779-C783 PolarHBondContact O-N 2.64Å; V781-C783 VanDerWaalsContact C-N 3.34Å; V781-C783 PolarHBondContact O-N 3.06Å; C783-T786 PolarHBondContact O-OG1 3.1Å; C783-S787 VanDerWaalsContact O-CB 3.28Å; C783-S787 WeakPolarHBondContact O-CB 3.34Å; C783-S787 PolarHBondContact O-N 3.48Å; C783-S787 VanDerWaalsContact O-N 3.12Å; C783-S787 PolarHBondContact O-OG 3.29Å
784L83.1Confident74.6Confident0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-57.9-51.1175.7-176.750.9000111.5L575 L578 N579 F582 L626 R780 V781 S787 A788L575-L784 HydrophobicContact CD1-CD2 3.61Å; L578-L784 HydrophobicContact CD2-CD1 4.1Å; L578-L784 HydrophobicContact CD2-CD2 4.16Å; L578-L784 HydrophobicContact CG-CD1 4.01Å; N579-L784 VanDerWaalsContact OD1-CB 3.26Å; N579-L784 WeakPolarHBondContact OD1-CB 3.31Å; F582-L784 HydrophobicContact CD2-CD1 3.59Å; F582-L784 HydrophobicContact CE2-CD1 4.18Å; F582-L784 HydrophobicContact CG-CD1 4.39Å; L626-L784 HydrophobicContact CD1-CD2 3.82Å; R780-L784 PolarHBondContact O-N 3.06Å; R780-L784 VanDerWaalsContact O-N 3.12Å; V781-L784 WeakPolarHBondContact O-CB 3.38Å; V781-L784 PolarHBondContact O-N 3.42Å; L784-S787 PolarHBondContact O-N 3.01Å; L784-A788 VanDerWaalsContact O-CB 3.29Å; L784-A788 WeakPolarHBondContact O-CB 3.33Å; L784-A788 PolarHBondContact O-N 3.46Å
785L79.3Confident75.6Confident0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-74.8-34.3-169.8-64.9169.2000112.9L626 L627 Y630 L634 V781 L782 R789L626-L785 HydrophobicContact CB-CD2 3.74Å; L627-L785 HydrophobicContact CD2-CB 4.2Å; L627-L785 HydrophobicContact CD2-CD2 3.69Å; L627-L785 HydrophobicContact CD2-CG 4.47Å; L627-L785 HydrophobicContact CG-CD2 3.78Å; Y630-L785 VanDerWaalsContact CB-CD1 3.41Å; Y630-L785 HydrophobicContact CD2-CD1 4.19Å; Y630-L785 HydrophobicContact CG-CD1 3.86Å; L634-L785 HydrophobicContact CD1-CB 4.2Å; L634-L785 HydrophobicContact CD1-CD1 4.16Å; L634-L785 HydrophobicContact CD2-CB 4.01Å; V781-L785 HydrophobicContact CG1-CD1 3.63Å; V781-L785 HydrophobicContact CG1-CG 4.27Å; V781-L785 VanDerWaalsContact O-CG 3.28Å; V781-L785 WeakPolarHBondContact O-CG 3.32Å; V781-L785 PolarHBondContact O-N 3.21Å; L782-L785 PolarHBondContact O-N 3.32Å; L785-R789 VanDerWaalsContact O-CB 3.32Å; L785-R789 WeakPolarHBondContact O-CB 3.35Å; L785-R789 VanDerWaalsContact O-CG 3.25Å; L785-R789 WeakPolarHBondContact O-CG 3.42Å; L785-R789 PolarHBondContact O-N 3.4Å
786T79.2Confident75.9Confident49 Ų4926.2 Ų26.230%0.30114%0.141SC..Hα-helixtrans-67.5-37.6171.650.40000111.7L634 L782 C783 Y790L634-T786 HydrophobicContact CD2-CG2 4.46Å; L782-T786 WeakPolarHBondContact O-CB 3.18Å; L782-T786 WeakPolarHBondContact O-CG2 3.18Å; L782-T786 PolarHBondContact O-N 3.22Å; L782-T786 PolarHBondContact O-OG1 3.18Å; C783-T786 PolarHBondContact O-OG1 3.1Å; T786-Y790 PolarHBondContact O-N 2.97Å
787S81.5Confident76Confident2 Ų224.5 Ų24.51%0.01413%0.134CC..Hα-helixtrans-75.9-36.4177.7-52.90000113C783 L784 Y790 V791C783-S787 VanDerWaalsContact O-CB 3.28Å; C783-S787 WeakPolarHBondContact O-CB 3.34Å; C783-S787 PolarHBondContact O-N 3.48Å; C783-S787 VanDerWaalsContact O-N 3.12Å; C783-S787 PolarHBondContact O-OG 3.29Å; L784-S787 PolarHBondContact O-N 3.01Å; S787-Y790 WeakPolarHBondContact O-CB 3.14Å; S787-Y790 PolarHBondContact O-N 2.96Å; S787-V791 PolarHBondContact O-N 3.19Å
788A79.5Confident76.2Confident4 Ų424.3 Ų24.33%0.03313%0.132CC..Hα-helixtrans-67-4117300000111.9F582 L623 L784 Y790 V791 A792F582-A788 HydrophobicContact CD1-CB 4.24Å; F582-A788 HydrophobicContact CE1-CB 4.22Å; F582-A788 HydrophobicContact CZ-CB 4.45Å; L623-A788 HydrophobicContact CD2-CB 4.21Å; L784-A788 VanDerWaalsContact O-CB 3.29Å; L784-A788 WeakPolarHBondContact O-CB 3.33Å; L784-A788 PolarHBondContact O-N 3.46Å; A788-Y790 VanDerWaalsContact C-N 3.31Å; A788-Y790 PolarHBondContact O-N 3.21Å; A788-V791 PolarHBondContact O-N 3.07Å; A788-A792 PolarHBondContact O-N 2.97Å
789R77.1Confident76Confident94 Ų9423.1 Ų23.136%0.35513%0.126SC..Hα-helixtrans-61.5-37.5171-77.4177.564.6167.6-0.5112.1L627 L785 L793L627-R789 HydrophobicContact CD2-CG 3.87Å; L785-R789 VanDerWaalsContact O-CB 3.32Å; L785-R789 WeakPolarHBondContact O-CB 3.35Å; L785-R789 VanDerWaalsContact O-CG 3.25Å; L785-R789 WeakPolarHBondContact O-CG 3.42Å; L785-R789 PolarHBondContact O-N 3.4Å; R789-L793 WeakPolarHBondContact O-CB 3.38Å; R789-L793 WeakPolarHBondContact O-CD1 3.17Å; R789-L793 VanDerWaalsContact O-CG 3.26Å; R789-L793 WeakPolarHBondContact O-CG 3.39Å; R789-L793 PolarHBondContact O-N 3.25Å; R789-L793 VanDerWaalsContact O-N 3.12Å
790Y79.2Confident75.2Confident16 Ų1626 Ų266%0.06314%0.142CC..Hα-helixtrans-59.6-50.4173.3178.7-86.7000111.5F585 R586 T591 I706 T786 S787 A788 A792 L793 V794 F795F585-Y790 WeakPolarHBondContact O-CE1 3.21Å; R586-Y790 HydrophobicContact CB-CD1 3.79Å; R586-Y790 HydrophobicContact CB-CE1 4.04Å; R586-Y790 HydrophobicContact CB-CG 4.12Å; R586-Y790 HydrophobicContact CG-CD1 4.01Å; R586-Y790 HydrophobicContact CG-CD2 3.93Å; R586-Y790 HydrophobicContact CG-CE1 4.27Å; R586-Y790 HydrophobicContact CG-CE2 4.15Å; R586-Y790 HydrophobicContact CG-CG 3.84Å; T591-Y790 WeakPolarHBondContact CG2-OH 3.39Å; I706-Y790 HydrophobicContact CD1-CD2 3.76Å; I706-Y790 HydrophobicContact CD1-CE2 3.78Å; I706-Y790 HydrophobicContact CG2-CD2 3.62Å; I706-Y790 HydrophobicContact CG2-CE2 3.94Å; T786-Y790 PolarHBondContact O-N 2.97Å; S787-Y790 WeakPolarHBondContact O-CB 3.14Å; S787-Y790 PolarHBondContact O-N 2.96Å; A788-Y790 VanDerWaalsContact C-N 3.31Å; A788-Y790 PolarHBondContact O-N 3.21Å; Y790-A792 VanDerWaalsContact C-N 3.34Å; Y790-A792 PolarHBondContact O-N 3.04Å; Y790-L793 PolarHBondContact O-N 2.74Å; Y790-L793 VanDerWaalsContact O-N 3.16Å; Y790-V794 HydrophobicContact CD1-CG2 4.3Å; Y790-V794 HydrophobicContact CD2-CG2 4.2Å; Y790-V794 HydrophobicContact CE1-CB 4.22Å; Y790-V794 HydrophobicContact CE1-CG1 4.49Å; Y790-V794 HydrophobicContact CE1-CG2 3.93Å; Y790-V794 HydrophobicContact CE2-CG2 3.88Å; Y790-V794 HydrophobicContact CG-CG2 4.41Å; Y790-V794 WeakPolarHBondContact O-CG2 3.39Å; Y790-V794 PolarHBondContact O-N 3.5Å; Y790-F795 HydrophobicContact CE1-CE2 4.47Å
791V77.7Confident73.7Confident0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-60.5-42.8179.9170.90000111.9F582 F585 F615 S787 A788 L793 V794 F795 V799F582-V791 HydrophobicContact CD1-CB 4.12Å; F582-V791 HydrophobicContact CD1-CG2 3.74Å; F582-V791 HydrophobicContact CE1-CB 4.17Å; F582-V791 HydrophobicContact CE1-CG1 4.29Å; F582-V791 HydrophobicContact CE1-CG2 4.22Å; F585-V791 HydrophobicContact CB-CG2 3.38Å; F585-V791 HydrophobicContact CD1-CG2 4.12Å; F585-V791 HydrophobicContact CD2-CG2 4.11Å; F585-V791 HydrophobicContact CG-CG2 3.65Å; F615-V791 HydrophobicContact CE2-CG1 4.33Å; S787-V791 PolarHBondContact O-N 3.19Å; A788-V791 PolarHBondContact O-N 3.07Å; V791-L793 VanDerWaalsContact C-N 3.29Å; V791-L793 PolarHBondContact O-N 2.89Å; V791-V794 PolarHBondContact O-N 2.87Å; V791-F795 HydrophobicContact CG1-CD2 4.3Å; V791-F795 CarbonylContact O-C 3.57Å; V791-F795 WeakPolarHBondContact O-CA 3.4Å; V791-F795 PolarHBondContact O-N 2.94Å; V791-V799 HydrophobicContact CG1-CG2 4.07Å
792A75.5Confident71.9Confident13 Ų1333.6 Ų33.611%0.10718%0.177CC..Hα-helixtrans-66.5-27.7178.100000114.2A788 Y790 V799 W801A788-A792 PolarHBondContact O-N 2.97Å; Y790-A792 VanDerWaalsContact C-N 3.34Å; Y790-A792 PolarHBondContact O-N 3.04Å; A792-V799 HydrophobicContact CB-CB 4.04Å; A792-V799 HydrophobicContact CB-CG1 3.89Å; A792-V799 HydrophobicContact CB-CG2 4.05Å; A792-W801 HydrophobicContact CB-CD2 4.16Å; A792-W801 HydrophobicContact CB-CE3 3.55Å; A792-W801 HydrophobicContact CB-CH2 3.54Å; A792-W801 HydrophobicContact CB-CZ2 4.14Å; A792-W801 HydrophobicContact CB-CZ3 3.2Å
793L72.3Confident69.7Low121 Ų12138.1 Ų38.163%0.63421%0.207SC*.Hα-helixtrans-82.7-36.1176.8-72.6169000113R789 Y790 V791R789-L793 WeakPolarHBondContact O-CB 3.38Å; R789-L793 WeakPolarHBondContact O-CD1 3.17Å; R789-L793 VanDerWaalsContact O-CG 3.26Å; R789-L793 WeakPolarHBondContact O-CG 3.39Å; R789-L793 PolarHBondContact O-N 3.25Å; R789-L793 VanDerWaalsContact O-N 3.12Å; Y790-L793 PolarHBondContact O-N 2.74Å; Y790-L793 VanDerWaalsContact O-N 3.16Å; V791-L793 VanDerWaalsContact C-N 3.29Å; V791-L793 PolarHBondContact O-N 2.89Å
794V71.7Confident67.1Low29 Ų2944.6 Ų44.618%0.17624%0.242CC..Hα-helixtrans-93.4-29.6-173.8-1800000112.6C601 I706 Y790 V791 P796C601-V794 HydrophobicContact CB-CG1 4.29Å; I706-V794 HydrophobicContact CD1-CG2 4.11Å; Y790-V794 HydrophobicContact CD1-CG2 4.3Å; Y790-V794 HydrophobicContact CD2-CG2 4.2Å; Y790-V794 HydrophobicContact CE1-CB 4.22Å; Y790-V794 HydrophobicContact CE1-CG1 4.49Å; Y790-V794 HydrophobicContact CE1-CG2 3.93Å; Y790-V794 HydrophobicContact CE2-CG2 3.88Å; Y790-V794 HydrophobicContact CG-CG2 4.41Å; Y790-V794 WeakPolarHBondContact O-CG2 3.39Å; Y790-V794 PolarHBondContact O-N 3.5Å; V791-V794 PolarHBondContact O-N 2.87Å; V794-P796 VanDerWaalsContact C-CD 3.44Å; V794-P796 WeakPolarHBondContact O-CD 3.34Å
795F75Confident64.5Low0 Ų050.2 Ų50.20%028%0.281CS..  trans-126.362.8-179.8-50.2-72.2000111F585 F590 T604 D605 F608 Y790 V791 S797 L798F585-F795 HydrophobicContact CB-CE2 4.47Å; F585-F795 AromaticContact CD1-CD2 3.9Å; F585-F795 HydrophobicContact CD1-CD2 3.9Å; F585-F795 AromaticContact CD1-CE2 3.72Å; F585-F795 HydrophobicContact CD1-CE2 3.72Å; F585-F795 HydrophobicContact CD1-CZ 4.45Å; F585-F795 HydrophobicContact CE1-CD2 4.42Å; F590-F795 HydrophobicContact CB-CZ 3.91Å; F590-F795 HydrophobicContact CD1-CZ 4.35Å; F590-F795 HydrophobicContact CD2-CZ 4.31Å; F590-F795 AromaticContact CG-CZ 3.91Å; F590-F795 HydrophobicContact CG-CZ 3.91Å; T604-F795 HydrophobicContact CG2-CE1 3.89Å; D605-F795 HydrophobicContact CB-CD1 4.32Å; D605-F795 WeakPolarHBondContact OD1-CA 3.11Å; F608-F795 HydrophobicContact CD2-CD1 4.23Å; F608-F795 HydrophobicContact CE2-CD1 4.28Å; F608-F795 HydrophobicContact CE2-CE1 4.42Å; Y790-F795 HydrophobicContact CE1-CE2 4.47Å; V791-F795 HydrophobicContact CG1-CD2 4.3Å; V791-F795 CarbonylContact O-C 3.57Å; V791-F795 WeakPolarHBondContact O-CA 3.4Å; V791-F795 PolarHBondContact O-N 2.94Å; F795-S797 PolarHBondContact O-N 3.05Å; F795-S797 VanDerWaalsContact O-N 3.09Å; F795-L798 HydrophobicContact CB-CB 4.35Å; F795-L798 HydrophobicContact CB-CD1 3.87Å; F795-L798 HydrophobicContact CB-CG 4.08Å; F795-L798 HydrophobicContact CG-CD1 4.4Å; F795-L798 WeakPolarHBondContact O-CB 3.34Å; F795-L798 PolarHBondContact O-N 3.4Å
796P70Confident62Low73 Ų7353.9 Ų53.947%0.47432%0.319SS..THydrogen-bonded Turntrans-62.4-18.8-175.527.6-36.2000113.3V794 L798 V799V794-P796 VanDerWaalsContact C-CD 3.44Å; V794-P796 WeakPolarHBondContact O-CD 3.34Å; P796-L798 VanDerWaalsContact C-N 3.35Å; P796-V799 CarbonylContact O-C 3.47Å; P796-V799 VanDerWaalsContact O-O 3.11Å
797S68.6Low59.6Low23 Ų2359.1 Ų59.116%0.16135%0.345CS..THydrogen-bonded Turntrans-71.1-27.4173.969.20000114D605 F795D605-S797 WeakPolarHBondContact OD1-CB 3.3Å; D605-S797 PolarHBondContact OD1-N 3.1Å; D605-S797 PolarHBondContact OD1-OG 3.37Å; D605-S797 PolarHBondContact OD2-OG 3.5Å; F795-S797 PolarHBondContact O-N 3.05Å; F795-S797 VanDerWaalsContact O-N 3.09Å
798L70.7Confident57Low3 Ų367.3 Ų67.32%0.01638%0.38CS..THydrogen-bonded Turntrans-75.3-36.2175.7-70.2-175000112.1I486 F585 F608 F615 F795 P796I486-L798 HydrophobicContact CD1-CD1 4.06Å; I486-L798 HydrophobicContact CD1-CD2 3.32Å; I486-L798 HydrophobicContact CD1-CG 4.3Å; F585-L798 HydrophobicContact CE1-CD1 3.76Å; F585-L798 HydrophobicContact CZ-CD1 4.11Å; F608-L798 HydrophobicContact CB-CD2 3.59Å; F608-L798 HydrophobicContact CB-CG 4.04Å; F608-L798 HydrophobicContact CD1-CD1 4.09Å; F608-L798 HydrophobicContact CD1-CD2 3.79Å; F608-L798 HydrophobicContact CD1-CG 4.38Å; F608-L798 HydrophobicContact CD2-CD1 3.78Å; F608-L798 HydrophobicContact CD2-CD2 4.4Å; F608-L798 HydrophobicContact CD2-CG 4.18Å; F608-L798 HydrophobicContact CE1-CD1 4.21Å; F608-L798 HydrophobicContact CE2-CD1 3.92Å; F608-L798 HydrophobicContact CG-CD1 3.89Å; F608-L798 HydrophobicContact CG-CD2 3.69Å; F608-L798 HydrophobicContact CG-CG 3.97Å; F608-L798 HydrophobicContact CZ-CD1 4.14Å; F615-L798 HydrophobicContact CD2-CB 4.27Å; F615-L798 WeakPolarHBondContact CD2-O 3.44Å; F615-L798 HydrophobicContact CE2-CB 3.9Å; F615-L798 PolarHBondContact N-O 3.1Å; F795-L798 HydrophobicContact CB-CB 4.35Å; F795-L798 HydrophobicContact CB-CD1 3.87Å; F795-L798 HydrophobicContact CB-CG 4.08Å; F795-L798 HydrophobicContact CG-CD1 4.4Å; F795-L798 WeakPolarHBondContact O-CB 3.34Å; F795-L798 PolarHBondContact O-N 3.4Å; P796-L798 VanDerWaalsContact C-N 3.35Å
799V66.3Low54.5Low11 Ų1174.8 Ų74.87%0.06742%0.419CS..  trans-110.987.4-173.2-169.60000108.8F615 V791 A792 P796 W801F615-V799 HydrophobicContact CD2-CG2 3.89Å; F615-V799 HydrophobicContact CE2-CG2 3.82Å; V791-V799 HydrophobicContact CG1-CG2 4.07Å; A792-V799 HydrophobicContact CB-CB 4.04Å; A792-V799 HydrophobicContact CB-CG1 3.89Å; A792-V799 HydrophobicContact CB-CG2 4.05Å; P796-V799 CarbonylContact O-C 3.47Å; P796-V799 VanDerWaalsContact O-O 3.11Å; V799-W801 HydrophobicContact CG1-CB 4.46Å; V799-W801 HydrophobicContact CG1-CD2 3.68Å; V799-W801 HydrophobicContact CG1-CE3 4.42Å; V799-W801 HydrophobicContact CG1-CG 3.65Å; V799-W801 HydrophobicContact CG1-CZ2 4.32Å; V799-W801 PolarHBondContact O-N 2.85Å
800N57.4Low52.2Low81 Ų8175.4 Ų75.443%0.43344%0.439SS..  trans-6766.4168.5-80.3-35.6000111.1F823N800-F823 VanDerWaalsContact O-CZ 3.24Å; N800-F823 WeakPolarHBondContact O-CZ 3.34Å
801W49.7Very low49.7Very low58 Ų5883.1 Ų83.122%0.2248%0.481CS..  trans-79.9120.5158.5-73.4-11.6000107.6N624 L627 A792 V799 P803 W819N624-W801 PolarHBondContact OD1-NE1 2.8Å; L627-W801 HydrophobicContact CD1-CH2 3.5Å; L627-W801 HydrophobicContact CD1-CZ2 3.41Å; L627-W801 VanDerWaalsContact CD1-CZ2 3.41Å; A792-W801 HydrophobicContact CB-CD2 4.16Å; A792-W801 HydrophobicContact CB-CE3 3.55Å; A792-W801 HydrophobicContact CB-CH2 3.54Å; A792-W801 HydrophobicContact CB-CZ2 4.14Å; A792-W801 HydrophobicContact CB-CZ3 3.2Å; V799-W801 HydrophobicContact CG1-CB 4.46Å; V799-W801 HydrophobicContact CG1-CD2 3.68Å; V799-W801 HydrophobicContact CG1-CE3 4.42Å; V799-W801 HydrophobicContact CG1-CG 3.65Å; V799-W801 HydrophobicContact CG1-CZ2 4.32Å; V799-W801 PolarHBondContact O-N 2.85Å; W801-P803 VanDerWaalsContact C-CD 3.43Å; W801-P803 WeakPolarHBondContact O-CD 3.5Å; W801-W819 HydrophobicContact CD2-CH2 4.42Å; W801-W819 HydrophobicContact CD2-CZ3 4.4Å; W801-W819 AromaticContact CE3-CH2 3.76Å; W801-W819 HydrophobicContact CE3-CH2 3.76Å; W801-W819 HydrophobicContact CE3-CZ3 4.19Å; W801-W819 HydrophobicContact CH2-CH2 4.03Å; W801-W819 HydrophobicContact CH2-CZ3 4.37Å; W801-W819 AromaticContact CZ3-CH2 3.55Å; W801-W819 HydrophobicContact CZ3-CH2 3.55Å; W801-W819 HydrophobicContact CZ3-CZ3 4.18Å
802I38.4Very low47.3Very low111 Ų11188.1 Ų88.157%0.56952%0.516SS*.  trans-107.390.9-179.7-58.4173.2000109.9N804 F823I802-N804 HydrophobicContact CG2-CB 4.09Å; I802-N804 PolarHBondContact O-N 3.23Å; I802-F823 HydrophobicContact CB-CZ 4.14Å; I802-F823 HydrophobicContact CD1-CE1 3.74Å; I802-F823 HydrophobicContact CD1-CZ 3.67Å; I802-F823 HydrophobicContact CG1-CE1 4.35Å; I802-F823 HydrophobicContact CG1-CZ 3.78Å
803P29.6Very low44.9Very low105 Ų10594.2 Ų94.268%0.68255%0.552SS**  trans-88.978.9163.635-32.4000109.5W801W801-P803 VanDerWaalsContact C-CD 3.43Å; W801-P803 WeakPolarHBondContact O-CD 3.5Å
804N27.9Very low42.8Very low144 Ų14496.9 Ų96.977%0.7756%0.561SS**  trans-147.668.9179.1-98.7-42.2000113.1I802I802-N804 HydrophobicContact CG2-CB 4.09Å; I802-N804 PolarHBondContact O-N 3.23Å
805S28.8Very low40.5Very low117 Ų117102.2 Ų102.282%0.81859%0.594SS**  trans-98.968.4159.2600000109.5D807S805-D807 PolarHBondContact O-N 3.42Å
806G25.1Very low38.1Very low78 Ų78108.8 Ų108.880%0.80463%0.634SS**  trans-76.767.8176.600000111.9
807D30Very low36Very low158 Ų158110.5 Ų110.585%0.84565%0.648SS**  trans-113.1151.5176.3-129.5-34.3000111.9S805S805-D807 PolarHBondContact O-N 3.42Å
808K27.3Very low34.1Very low175 Ų175115 Ų11576%0.76167%0.674SS**  trans-106.6145.4-166-64.6175.9-177.91750112.3
809N26.6Very low32.2Very low160 Ų160121.8 Ų121.886%0.85670%0.7SS**  trans75.6100.1168.2-35.1-49.6000116.5
810S28.8Very low30.3Very low108 Ų108128.3 Ų128.376%0.75573%0.727SS**  trans-161.4113.3136.758.60000110.3S812S810-S812 PolarHBondContact O-N 3.01Å
811D26Very low28.8Very low177 Ų177128 Ų12895%0.94774%0.744SS**  trans-74.5108.9173.3-65.4-65.9000110.8
812S28.9Very low27.6Very low106 Ų106131.1 Ų131.174%0.74177%0.774SS**  trans-154.6126161.4590000110.8S810 E814S810-S812 PolarHBondContact O-N 3.01Å; S812-E814 PolarHBondContact O-N 3.06Å
813T25.1Very low27Very low141 Ų141128.9 Ų128.987%0.86576%0.76SS**  trans-76.7107.6-177.248.10000112.5
814E26.5Very low26.7Very low176 Ų176130 Ų13082%0.82277%0.769SS**  trans-158.7130.9156.2-120.5165.5-139.300111.5S812 T816S812-E814 PolarHBondContact O-N 3.06Å; E814-T816 PolarHBondContact O-N 2.73Å
815T24.9Very low26.6Very low141 Ų141126.7 Ų126.787%0.86576%0.756SS**SBendtrans-98.762.6-164.750.90000114.1
816T24.6Very low26.4Very low139 Ų139125.5 Ų125.585%0.85375%0.748SS**  trans-165.276.1168.429.40000113.1E814E814-T816 PolarHBondContact O-N 2.73Å
817S25.2Very low26.4Very low108 Ų108127.6 Ų127.676%0.75575%0.75SS**  trans-152.583.7-17948.50000115.9
818V27.5Very low26.5Very low117 Ų117127.9 Ų127.971%0.70975%0.746SS**  trans-140.2156.5162.6-169.20000108
819W30.9Very low26.6Very low146 Ų146124.6 Ų124.655%0.55375%0.745SS**SBendtrans94.716.5173.7-68.477.9000120.4W801W801-W819 HydrophobicContact CD2-CH2 4.42Å; W801-W819 HydrophobicContact CD2-CZ3 4.4Å; W801-W819 AromaticContact CE3-CH2 3.76Å; W801-W819 HydrophobicContact CE3-CH2 3.76Å; W801-W819 HydrophobicContact CE3-CZ3 4.19Å; W801-W819 HydrophobicContact CH2-CH2 4.03Å; W801-W819 HydrophobicContact CH2-CZ3 4.37Å; W801-W819 AromaticContact CZ3-CH2 3.55Å; W801-W819 HydrophobicContact CZ3-CH2 3.55Å; W801-W819 HydrophobicContact CZ3-CZ3 4.18Å
820F26.5Very low27Very low149 Ų149121.6 Ų121.665%0.65474%0.737SS**  trans-132.4122.7170.1-67.4-68.7000114.7K628K628-F820 HydrophobicContact CD-CE1 3.73Å; K628-F820 HydrophobicContact CD-CZ 3.55Å; K628-F820 VanDerWaalsContact CE-CZ 3.47Å; K628-F820 HydrophobicContact CG-CZ 3.95Å
821G26.2Very low27.5Very low75 Ų75118.8 Ų118.877%0.77372%0.717SS**  trans-167.6145.2174.400000110.2
822S25.4Very low28.7Very low122 Ų122113 Ų11385%0.85369%0.686SS**  trans-82.7143.7-172.1-166.70000113
823F26Very low29.8Very low64 Ų64108.4 Ų108.428%0.28165%0.653SS.*  trans-83.7154.5165.8-97-97.5000112.2N800 I802N800-F823 VanDerWaalsContact O-CZ 3.24Å; N800-F823 WeakPolarHBondContact O-CZ 3.34Å; I802-F823 HydrophobicContact CB-CZ 4.14Å; I802-F823 HydrophobicContact CD1-CE1 3.74Å; I802-F823 HydrophobicContact CD1-CZ 3.67Å; I802-F823 HydrophobicContact CG1-CE1 4.35Å; I802-F823 HydrophobicContact CG1-CZ 3.78Å
824C22.5Very low31.1Very low130 Ų130108 Ų10888%0.87864%0.64SS**  trans-146.982165-890000107.9
825C26.5Very low32.4Very low73 Ų73103.9 Ų103.949%0.49362%0.623SS.*  trans-92.2113.9172.1-83.60000110.4S827C825-S827 PolarHBondContact O-N 3.36Å
826S24.5Very low33.5Very low93 Ų9398.1 Ų98.165%0.6559%0.587SS**  trans-58.9135.2165.749.80000109.9H828S826-H828 PolarHBondContact O-CD2 3.33Å; S826-H828 PolarHBondContact O-N 2.6Å
827S24.6Very low34.8Very low121 Ų12192.2 Ų92.285%0.84655%0.549SS*.  trans-53102-174.653.80000112.7C825 S829C825-S827 PolarHBondContact O-N 3.36Å; S827-S829 PolarHBondContact O-N 3.08Å
828H32.9Very low35.7Very low165 Ų16590 Ų9076%0.76453%0.534SS*.  trans-71116.2170.9-83-79.9000109.3S826S826-H828 PolarHBondContact O-CD2 3.33Å; S826-H828 PolarHBondContact O-N 2.6Å
829S29.6Very low36.4Very low106 Ų10686.8 Ų86.874%0.74152%0.519SS*.  trans-52.9146.1165430000110S827 S831S827-S829 PolarHBondContact O-N 3.08Å; S829-S831 PolarHBondContact O-N 2.88Å
830S33.7Very low36.7Very low96 Ų9680.7 Ų80.767%0.67150%0.497SS*.  trans-55.9102168.8550000109.5N832S830-N832 PolarHBondContact O-N 3.43Å
831S40.4Very low37.1Very low50 Ų5077 Ų7735%0.3548%0.484SS..  trans-58.2120.8165.347.20000107.7S829S829-S831 PolarHBondContact O-N 2.88Å
832N50Low37.5Very low54 Ų5480.4 Ų80.429%0.28948%0.478SS..  trans-66.2153.8175.4-168.8-83.2000108.3S830 K834 D835 M836S830-N832 PolarHBondContact O-N 3.43Å; N832-K834 HydrophobicContact CB-CB 4.44Å; N832-K834 PolarHBondContact O-N 3.35Å; N832-K834 VanDerWaalsContact O-N 3.08Å; N832-K834 VanDerWaalsContact OD1-CB 3.27Å; N832-K834 WeakPolarHBondContact OD1-CB 3.27Å; N832-K834 WeakPolarHBondContact OD1-CD 3.42Å; N832-K834 VanDerWaalsContact OD1-CG 3.26Å; N832-K834 WeakPolarHBondContact OD1-CG 3.3Å; N832-K834 PolarHBondContact OD1-N 2.97Å; N832-D835 WeakPolarHBondContact CB-OD2 3.28Å; N832-D835 PolarHBondContact N-OD2 3.45Å; N832-D835 WeakPolarHBondContact O-CA 3.47Å; N832-D835 WeakPolarHBondContact O-CB 3.45Å; N832-D835 PolarHBondContact O-N 3.05Å; N832-M836 PolarHBondContact O-N 3.06Å
833L52.7Low37.6Very low10 Ų1080.5 Ų80.55%0.05248%0.476CS..Hα-helixtrans-54.5-30.5171.7-89.6173.8000111.3A416 D417 F420 L480 D835 M836 F837A416-L833 HydrophobicContact CB-CD1 3.92Å; D417-L833 VanDerWaalsContact OD1-CB 3.32Å; D417-L833 WeakPolarHBondContact OD1-CB 3.49Å; D417-L833 WeakPolarHBondContact OD1-CD1 3.32Å; F420-L833 HydrophobicContact CD2-CD1 3.77Å; F420-L833 HydrophobicContact CD2-CG 4.22Å; F420-L833 HydrophobicContact CE2-CD1 3.87Å; F420-L833 HydrophobicContact CE2-CD2 4.5Å; F420-L833 HydrophobicContact CE2-CG 4.47Å; L480-L833 HydrophobicContact CD2-CD1 3.96Å; L480-L833 HydrophobicContact CD2-CD2 4.36Å; L833-D835 PolarHBondContact O-N 3.42Å; L833-M836 HydrophobicContact CD2-CE 4.19Å; L833-M836 HydrophobicContact CD2-SD 3.99Å; L833-M836 PolarHBondContact O-N 3.33Å; L833-F837 HydrophobicContact CB-CD2 4.14Å; L833-F837 HydrophobicContact CB-CE2 3.88Å; L833-F837 HydrophobicContact CD1-CE2 4.46Å; L833-F837 HydrophobicContact CD2-CE2 3.88Å; L833-F837 HydrophobicContact CD2-CZ 4.11Å; L833-F837 HydrophobicContact CG-CE2 4.29Å; L833-F837 WeakPolarHBondContact O-CB 3.31Å; L833-F837 WeakPolarHBondContact O-CD2 3.22Å; L833-F837 WeakPolarHBondContact O-CG 3.49Å; L833-F837 PolarHBondContact O-N 3.02Å
834K52.9Low37.9Very low134 Ų13483 Ų8358%0.58350%0.496SS*.Hα-helixtrans-59.2-39.1170.4-68.2163.7-170142.50113.6D417 N832 S838D417-K834 IonicContact OD2-NZ 3.94Å; N832-K834 HydrophobicContact CB-CB 4.44Å; N832-K834 PolarHBondContact O-N 3.35Å; N832-K834 VanDerWaalsContact O-N 3.08Å; N832-K834 VanDerWaalsContact OD1-CB 3.27Å; N832-K834 WeakPolarHBondContact OD1-CB 3.27Å; N832-K834 WeakPolarHBondContact OD1-CD 3.42Å; N832-K834 VanDerWaalsContact OD1-CG 3.26Å; N832-K834 WeakPolarHBondContact OD1-CG 3.3Å; N832-K834 PolarHBondContact OD1-N 2.97Å; K834-S838 VanDerWaalsContact O-CB 3.25Å; K834-S838 WeakPolarHBondContact O-CB 3.26Å; K834-S838 PolarHBondContact O-N 2.78Å
835D53.5Low38.1Very low88 Ų8882.5 Ų82.547%0.47149%0.49SS..Hα-helixtrans-68.1-42.2176.7-58.2-45000110.2N832 L833 S838 A839N832-D835 WeakPolarHBondContact CB-OD2 3.28Å; N832-D835 PolarHBondContact N-OD2 3.45Å; N832-D835 WeakPolarHBondContact O-CA 3.47Å; N832-D835 WeakPolarHBondContact O-CB 3.45Å; N832-D835 PolarHBondContact O-N 3.05Å; L833-D835 PolarHBondContact O-N 3.42Å; D835-S838 WeakPolarHBondContact O-CB 3.48Å; D835-S838 PolarHBondContact O-N 2.88Å; D835-S838 PolarHBondContact O-OG 3.44Å; D835-A839 PolarHBondContact O-N 3.46Å; D835-A839 VanDerWaalsContact O-N 3.11Å
836M46.5Very low38.2Very low21 Ų2184.9 Ų84.910%0.10350%0.496CS..Hα-helixtrans-63.2-51.8177.5-59.2165.864.700110.8V611 N832 L833 S838 A839 L840V611-M836 WeakPolarHBondContact O-CE 3.47Å; N832-M836 PolarHBondContact O-N 3.06Å; L833-M836 HydrophobicContact CD2-CE 4.19Å; L833-M836 HydrophobicContact CD2-SD 3.99Å; L833-M836 PolarHBondContact O-N 3.33Å; M836-S838 PolarHBondContact O-N 3.21Å; M836-A839 WeakPolarHBondContact O-CB 3.46Å; M836-A839 PolarHBondContact O-N 3.02Å; M836-L840 PolarHBondContact O-N 2.83Å
837F52.4Low38.2Very low15 Ų1585.6 Ų85.67%0.06650%0.497CS..Hα-helixtrans-64.3-24.8173.2-63.7-55.2000112.8I413 F469 M470 L480 L833 A839 L840 N841I413-F837 HydrophobicContact CD1-CE2 4.43Å; I413-F837 HydrophobicContact CG1-CE2 4.24Å; I413-F837 HydrophobicContact CG1-CZ 4.32Å; I413-F837 HydrophobicContact CG2-CE2 3.86Å; F469-F837 HydrophobicContact CD1-CD1 4.24Å; F469-F837 HydrophobicContact CD1-CE1 4.13Å; F469-F837 HydrophobicContact CE1-CD1 4.37Å; F469-F837 AromaticContact CE1-CE1 3.96Å; F469-F837 HydrophobicContact CE1-CE1 3.96Å; M470-F837 HydrophobicContact CE-CD1 3.4Å; M470-F837 HydrophobicContact CE-CD2 4.08Å; M470-F837 HydrophobicContact CE-CE1 3.37Å; M470-F837 HydrophobicContact CE-CE2 4.05Å; M470-F837 HydrophobicContact CE-CG 3.8Å; M470-F837 HydrophobicContact CE-CZ 3.72Å; M470-F837 HydrophobicContact SD-CD1 4.37Å; M470-F837 HydrophobicContact SD-CD2 4.5Å; M470-F837 HydrophobicContact SD-CG 4.26Å; L480-F837 HydrophobicContact CD2-CZ 4.4Å; L833-F837 HydrophobicContact CB-CD2 4.14Å; L833-F837 HydrophobicContact CB-CE2 3.88Å; L833-F837 HydrophobicContact CD1-CE2 4.46Å; L833-F837 HydrophobicContact CD2-CE2 3.88Å; L833-F837 HydrophobicContact CD2-CZ 4.11Å; L833-F837 HydrophobicContact CG-CE2 4.29Å; L833-F837 WeakPolarHBondContact O-CB 3.31Å; L833-F837 WeakPolarHBondContact O-CD2 3.22Å; L833-F837 WeakPolarHBondContact O-CG 3.49Å; L833-F837 PolarHBondContact O-N 3.02Å; F837-A839 VanDerWaalsContact C-N 3.33Å; F837-L840 HydrophobicContact CD1-CD1 4.04Å; F837-L840 PolarHBondContact O-N 3.12Å; F837-N841 PolarHBondContact O-N 3.32Å; F837-N841 PolarHBondContact O-ND2 3.01Å
838S45.6Very low38.2Very low62 Ų6284.3 Ų84.343%0.43449%0.493SS..Hα-helixtrans-69.6-29.8171.586.30000112.8K834 D835 M836 N841K834-S838 VanDerWaalsContact O-CB 3.25Å; K834-S838 WeakPolarHBondContact O-CB 3.26Å; K834-S838 PolarHBondContact O-N 2.78Å; D835-S838 WeakPolarHBondContact O-CB 3.48Å; D835-S838 PolarHBondContact O-N 2.88Å; D835-S838 PolarHBondContact O-OG 3.44Å; M836-S838 PolarHBondContact O-N 3.21Å; S838-N841 PolarHBondContact O-N 3.16Å
839A41Very low37.9Very low48 Ų4882.5 Ų82.540%0.39749%0.494SS..Hα-helixtrans-68.2-40.4173.600000111.4D835 M836 F837 N841 K842D835-A839 PolarHBondContact O-N 3.46Å; D835-A839 VanDerWaalsContact O-N 3.11Å; M836-A839 WeakPolarHBondContact O-CB 3.46Å; M836-A839 PolarHBondContact O-N 3.02Å; F837-A839 VanDerWaalsContact C-N 3.33Å; A839-N841 PolarHBondContact O-N 3.4Å; A839-K842 PolarHBondContact O-N 2.78Å; A839-K842 VanDerWaalsContact O-N 3.13Å
840L36.5Very low37.8Very low18 Ų1881.3 Ų81.39%0.09449%0.49CS..Hα-helixtrans-59.3-25.7172-85.3118.1000114G466 F469 L610 M836 F837 K842G466-L840 WeakPolarHBondContact CA-O 3.32Å; F469-L840 HydrophobicContact CB-CD2 4.34Å; F469-L840 HydrophobicContact CD1-CD1 4.32Å; F469-L840 HydrophobicContact CD1-CD2 3.57Å; F469-L840 HydrophobicContact CD2-CD2 4.34Å; F469-L840 HydrophobicContact CE1-CD1 4.18Å; F469-L840 HydrophobicContact CE1-CD2 3.79Å; F469-L840 HydrophobicContact CG-CD2 3.85Å; F469-L840 HydrophobicContact CZ-CD2 4.26Å; L610-L840 HydrophobicContact CD1-CD1 4.44Å; L610-L840 HydrophobicContact CD1-CD2 4.45Å; L610-L840 HydrophobicContact CD1-CG 3.88Å; L610-L840 HydrophobicContact CD2-CD2 3.68Å; L610-L840 HydrophobicContact CD2-CG 4.02Å; L610-L840 HydrophobicContact CG-CD1 4.06Å; L610-L840 HydrophobicContact CG-CD2 4Å; L610-L840 HydrophobicContact CG-CG 3.78Å; M836-L840 PolarHBondContact O-N 2.83Å; F837-L840 HydrophobicContact CD1-CD1 4.04Å; F837-L840 PolarHBondContact O-N 3.12Å; L840-K842 PolarHBondContact O-N 2.74Å
841N36.5Very low37.5Very low72 Ų7281.4 Ų81.439%0.38550%0.497SS..THydrogen-bonded Turntrans-80.37.9177.6-78.4-81.1000113.8F837 S838 A839F837-N841 PolarHBondContact O-N 3.32Å; F837-N841 PolarHBondContact O-ND2 3.01Å; S838-N841 PolarHBondContact O-N 3.16Å; A839-N841 PolarHBondContact O-N 3.4Å
842K33.3Very low37Very low147 Ų14785.7 Ų85.764%0.63952%0.515SS*.SBendtrans-97.7120.1170.3-68.3174-179.1168.50109.8A839 L840 T844A839-K842 PolarHBondContact O-N 2.78Å; A839-K842 VanDerWaalsContact O-N 3.13Å; L840-K842 PolarHBondContact O-N 2.74Å; K842-T844 PolarHBondContact O-N 2.95Å
843P27.7Very low35.8Very low124 Ų12488.1 Ų88.181%0.80553%0.528SS*.  trans-66.1102178.826.8-33.7000110.3T845P843-T845 PolarHBondContact O-N 3.17Å
844T32.3Very low34.9Very low116 Ų11693.3 Ų93.371%0.71256%0.56SS**  trans-75.8106.5176.8-62.20000108.4K842 I846K842-T844 PolarHBondContact O-N 2.95Å; T844-I846 PolarHBondContact O-N 3.44Å
845T26.7Very low33.6Very low120 Ų12094.5 Ų94.574%0.73657%0.573SS**  trans-68.7104.9179.6-55.40000109.1P843 T847P843-T845 PolarHBondContact O-N 3.17Å; T845-T847 PolarHBondContact O-N 3.27Å; T845-T847 PolarHBondContact O-OG1 2.9Å
846I28.7Very low32.6Very low123 Ų12397.1 Ų97.163%0.63159%0.587SS**  trans-76.378.1178.9-51.1-178.9000109.2T844 A848T844-I846 PolarHBondContact O-N 3.44Å; I846-A848 PolarHBondContact O-N 3.13Å
847T25.4Very low31.9Very low108 Ų108103.7 Ų103.766%0.66362%0.615SS**  trans-67.2102.6165.5-0.30000108.6T845 T849T845-T847 PolarHBondContact O-N 3.27Å; T845-T847 PolarHBondContact O-OG1 2.9Å; T847-T849 PolarHBondContact O-N 2.93Å
848A24.9Very low30.8Very low94 Ų94109.8 Ų109.878%0.77764%0.644SS**  trans-75.263.4177.500000111.7I846 A850I846-A848 PolarHBondContact O-N 3.13Å; A848-A850 PolarHBondContact O-N 2.85Å
849T25.7Very low30.1Very low127 Ų127112.2 Ų112.278%0.77966%0.656SS**  trans-76.474.3171.752.20000110.3T847 A851T847-T849 PolarHBondContact O-N 2.93Å; T849-A851 PolarHBondContact O-N 2.87Å
850A27.9Very low29.5Very low80 Ų80118.2 Ų118.266%0.66168%0.676SS**  trans-61130156.900000108.3A848 I852A848-A850 PolarHBondContact O-N 2.85Å; A850-I852 VanDerWaalsContact C-N 3.28Å; A850-I852 PolarHBondContact O-N 3.25Å
851A26.1Very low29Very low99 Ų99122 Ų12282%0.81870%0.704SS**  trans-75.877-177.500000111.2T849 N853T849-A851 PolarHBondContact O-N 2.87Å; A851-N853 PolarHBondContact O-N 2.86Å
852I30Very low28.6Very low139 Ų139126.4 Ų126.471%0.71373%0.727SS**  trans-84.891168.6-57.8-178.8000107.9A850 T854A850-I852 VanDerWaalsContact C-N 3.28Å; A850-I852 PolarHBondContact O-N 3.25Å; I852-T854 PolarHBondContact O-N 3.12Å
853N26.4Very low28.3Very low105 Ų105128.8 Ų128.856%0.56174%0.738SS**  trans-70.392.4171.3-91.8-10.6000110.5N697 A851N697-N853 PolarHBondContact OD1-ND2 3.49Å; A851-N853 PolarHBondContact O-N 2.86Å
854T32.4Very low28.3Very low119 Ų119129.6 Ų129.673%0.7374%0.741SS**  trans-135.5107.6159.246.10000110.6I852 N856I852-T854 PolarHBondContact O-N 3.12Å; T854-N856 PolarHBondContact O-N 3.24Å
855N27.1Very low27.9Very low159 Ų159129.4 Ų129.485%0.8574%0.739SS**  trans-60129171.5-72.4-53.4000111
856N32.6Very low27.9Very low144 Ų144132 Ų13277%0.7775%0.747SS**  trans-172.7113.1132.6-99.8-50.7000113.9T854T854-N856 PolarHBondContact O-N 3.24Å
857K31.2Very low27.7Very low158 Ų158132 Ų13269%0.68775%0.749SS**  trans55119.9132.6-68.8-172.1164.7-1370122.8
858E29.4Very low27.7Very low144 Ų144133.4 Ų133.467%0.67375%0.753SS**  79100.4123.1-65.2168.2-147.900120.3
859T29.4Very low27.9Very low113 Ų113139 Ų13969%0.69376%0.759SS**  84.1101.9116.6-50.10000120.4
860Q28.8Very low27.8Very low173 Ų173140.6 Ų140.681%0.80876%0.758SS**  trans63.2113141.4-64.9-179.9-8.700121.3
861S25.8Very low27.8Very low99 Ų99143.2 Ų143.269%0.69276%0.757SS**  trans51.5121.3136.465.10000120.8
862N29.8Very low27.8Very low163 Ų163146 Ų14687%0.87276%0.757SS**  -158.4158110.8-104.3-49.5000112.8
863K25.1Very low27.5Very low198 Ų198148 Ų14886%0.86176%0.756SS**  trans-80.1137171.4-68.2174175.7176.10110.2
864T28.8Very low27.6Very low141 Ų141153.6 Ų153.687%0.86577%0.771SS**  trans-149.3136.7146.2-50.60000109.5
865T24Very low27.3Very low111 Ų111153.1 Ų153.168%0.68177%0.768SS**  trans-97.1139.4177.2-50.10000109.5
866L27.4Very low27.3Very low174 Ų174152.1 Ų152.191%0.91176%0.763SS**  trans-148.4147.3152.4-144.975.4000110.7
867N24.1Very low27.1Very low124 Ų124150.8 Ų150.866%0.66376%0.76SS**  trans-102.2-177.5-176.4-64.3-11.9000111.5
868N25.4Very low26.7Very low138 Ų138150.2 Ų150.274%0.73876%0.764SS**  trans90.2109.8161.5-49.1-9.6000115.1
869F27.9Very low26.7Very low210 Ų210149.7 Ų149.792%0.92177%0.773SS**  -154.9108.494.8-103.9-83.8000109.4
870E25.3Very low26.5Very low161 Ų161152.2 Ų152.275%0.75278%0.781SS**  trans-66.1161.5142-57168.7103.400106.2
871E26Very low26.3Very low135 Ų135151 Ų15163%0.63178%0.776SS**  cis-168.9150.532.3-177.3168.8-147.200107.8R873E871-R873 HydrophobicContact CG-CG 4.37Å; E871-R873 IonicContact OE1-CZ 3.06Å; E871-R873 IonicContact OE1-NE 3.09Å; E871-R873 PolarHBondContact OE1-NE 3.1Å; E871-R873 VanDerWaalsContact OE1-NE 3.17Å; E871-R873 IonicContact OE1-NH2 3.08Å
872L27.1Very low26.2Very low159 Ų159156.6 Ų156.683%0.83279%0.788SS**  trans-161.697.8147.9-114173.1000109.7Y874L872-Y874 HydrophobicContact CD2-CE2 4.45Å
873R23.1Very low25.9Very low180 Ų180156.1 Ų156.168%0.67978%0.78SS**  trans-93.3139.4172.5-52.7179.7-163.8-151.7-4.7109.3E871E871-R873 HydrophobicContact CG-CG 4.37Å; E871-R873 IonicContact OE1-CZ 3.06Å; E871-R873 IonicContact OE1-NE 3.09Å; E871-R873 PolarHBondContact OE1-NE 3.1Å; E871-R873 VanDerWaalsContact OE1-NE 3.17Å; E871-R873 IonicContact OE1-NH2 3.08Å
874Y28.6Very low26Very low222 Ų222151.1 Ų151.187%0.87178%0.776SS**  trans-129.8108.2151.5-98.8-81.8000110.2L872L872-Y874 HydrophobicContact CD2-CE2 4.45Å
875T27.3Very low25.9Very low109 Ų109150 Ų15067%0.66977%0.768SS**  trans-71.9160.8161.349.80000109.1
876D25.7Very low25.9Very low139 Ų139151.7 Ų151.774%0.74377%0.773SS**  cis-160.1-171.213.8-141.3-41.3000111.7
877T28.8Very low25.8Very low116 Ų116149.7 Ų149.771%0.71276%0.763SS**  trans87.187.6163.965.80000119.9
878N23.3Very low26Very low145 Ų145151.2 Ų151.278%0.77577%0.771SS**  trans59.7117.6139.4-59.5-21.4000120.7
879P28.5Very low26Very low133 Ų133152 Ų15286%0.86478%0.775SS**  -119.6145.9113.934.5-33.5000113.4H881P879-H881 PolarHBondContact O-N 3.11Å; P879-H881 VanDerWaalsContact O-N 3.12Å
880L26.8Very low26.1Very low166 Ų166150.7 Ų150.787%0.86977%0.772SS**  trans-81.890.1-175.9-88.4165.5000113.5
881H23.9Very low26.1Very low148 Ų148151.8 Ų151.869%0.68578%0.777SS**  31103.1129.7-151.5-60.6000118.7P879P879-H881 PolarHBondContact O-N 3.11Å; P879-H881 VanDerWaalsContact O-N 3.12Å
882F24.3Very low26.3Very low217 Ų217151.7 Ų151.795%0.95279%0.785SS**  trans-134.3132.4147.4-106.6-80.5000110
883H23.2Very low26.2Very low152 Ų152148.9 Ų148.970%0.70478%0.779SS**  trans-151102.5-163.5-166.1-65.6000111.6
884A26.9Very low26.6Very low93 Ų93145.1 Ų145.177%0.76978%0.778SS**  trans-149.997.4171.700000108.3
885V26.8Very low26.6Very low118 Ų118144.4 Ų144.472%0.71578%0.779SS**  6188.992.71790000110.9
886L24Very low26.7Very low147 Ų147142.4 Ų142.477%0.7778%0.78SS**  67.912875.4-82.3167.1000116.2
887N24.6Very low26.9Very low131 Ų131141.6 Ų141.670%0.70179%0.786SS**  trans61128.8158-64.5-2000119.4
888N29.4Very low26.8Very low157 Ų157144.7 Ų144.784%0.8479%0.792SS**  -163.3157.194.5-90.6-30.7000112.7
889N25.3Very low27.1Very low153 Ų153145.9 Ų145.982%0.81880%0.796SS**  trans-87.3-174.7168.6-79.9-24.8000110.7
890E30.2Very low27Very low183 Ų183147.7 Ų147.786%0.85579%0.793SS**  trans83.285160.3-52.6-166.8163.200117.9
891Q25.4Very low27.1Very low185 Ų185149.6 Ų149.686%0.86480%0.795SS**  53.9143.8109.7-141.5179.664.600120.9
892V30.1Very low27.1Very low132 Ų132147.9 Ų147.980%0.880%0.799SS**  trans83150.2169.2-167.10000115.7
893S23.3Very low27.2Very low101 Ų101145.1 Ų145.171%0.70679%0.793SS**  trans-142.2-173-166.370.70000109.5
894P32.9Very low27.4Very low100 Ų100143.5 Ų143.565%0.64979%0.789SS**  cis-131.2-172.8-21.628.4-6.7000113.1
895K28Very low27.4Very low208 Ų208145.1 Ų145.190%0.90479%0.794SS**  trans79.9132.2162.6-52.6176.5179.3178.30118.5
896G29.1Very low27.5Very low67 Ų67145.9 Ų145.969%0.69179%0.794SS**  trans147.8101.6148.100000117.3
897S31.1Very low27.7Very low122 Ų122146.9 Ų146.985%0.85380%0.796SS**  trans56.6135.8154.849.40000121.1
898E25.3Very low27.9Very low180 Ų180149.3 Ų149.384%0.84181%0.808SS**  trans-73.8143.7174.1-47.8121123.100112.9
899I30.6Very low27.9Very low170 Ų170146.3 Ų146.387%0.87279%0.792SS**  trans-139.8125.4143.7-62.9-173.2000108
900Q25.1Very low28.1Very low172 Ų172145 Ų14580%0.80479%0.792SS**  trans-70.4140.2175.3-64.5168.8-63.700111.8
901K28.7Very low28Very low206 Ų206142 Ų14290%0.89678%0.782SS**  trans-152.8126.1149.7-114.7168.8-173176.90110.5
902S24Very low28.2Very low112 Ų112141.1 Ų141.178%0.78378%0.782SS**  trans-79.2149-177.844.50000112.4
903I27.9Very low28.3Very low158 Ų158139.8 Ų139.881%0.8178%0.776SS**  trans-132.2112.4160.2-61.7-179.5000106.3
904N26.5Very low28.5Very low119 Ų119144.7 Ų144.764%0.63679%0.788SS**  trans-71.8142.4165.2-87.118.7000109.2D906N904-D906 PolarHBondContact ND2-OD1 3.16Å
905C26.8Very low28.5Very low127 Ų127144.8 Ų144.886%0.85879%0.791SS**  trans-110.2104.7150.7-71.70000106.9
906D29.1Very low28.4Very low134 Ų134139.7 Ų139.772%0.71779%0.788SS**  trans-74.7167.3-177.2-71-58.5000112.8N904N904-D906 PolarHBondContact ND2-OD1 3.16Å
907M27.7Very low28.5Very low167 Ų167142.6 Ų142.682%0.82380%0.795SS**  trans-71.6145.1-172.8-54.2-1697700113.7
908L28.7Very low28.2Very low182 Ų182141.9 Ų141.995%0.95379%0.79SS**  trans-91106.1149.4-74.8176000109.1
909N29.4Very low28.1Very low95 Ų95139.1 Ų139.151%0.50879%0.789SS.*  trans-120.2116.5177.5179.424.5000109.5N911N909-N911 PolarHBondContact ND2-ND2 3.26Å; N909-N911 PolarHBondContact O-N 3.47Å
910P29.4Very low27.9Very low126 Ų126136 Ų13682%0.81878%0.782SS**  trans-80.164.3-17934-35.7000112.2
911N28.5Very low27.9Very low120 Ų120134.6 Ų134.664%0.64278%0.78SS**  trans-115.798.7174.4-87.2-6.2000110.9N909N909-N911 PolarHBondContact ND2-ND2 3.26Å; N909-N911 PolarHBondContact O-N 3.47Å
912L30.7Very low27.9Very low165 Ų165132.2 Ų132.286%0.86478%0.777SS**  trans-157.5142168.1-99.1121.3000110.9
913P31.6Very low28Very low104 Ų104134 Ų13468%0.67578%0.778SS**  cis-124.1148.3-30.734.1-19.4000113.1S915P913-S915 PolarHBondContact O-N 3.21Å
914E27Very low28Very low205 Ų205134 Ų13496%0.95878%0.775SS**  trans-77.6116.2171.4-174.2173.3-138.900110.3
915S33.3Very low28.1Very low101 Ų101135.7 Ų135.771%0.70678%0.779SS**  trans-151111.2168.7560000111.2P913P913-S915 PolarHBondContact O-N 3.21Å
916A25.7Very low28.2Very low101 Ų101135.7 Ų135.784%0.83577%0.769SS**  trans-80.2149.3175.400000111.3
917P30.9Very low28.3Very low129 Ų129134.6 Ų134.684%0.83877%0.772SS**  trans-124.6157.2130.936-30.7000112.2
918S25.9Very low28.4Very low107 Ų107132.4 Ų132.475%0.74876%0.764SS**  trans-91.2136.6-172.456.10000114.3
919C23Very low28.6Very low121 Ų121130.4 Ų130.482%0.81875%0.753SS**  trans74.7151.6149.5-62.50000121.1
920S26.3Very low28.4Very low106 Ų106130.5 Ų130.574%0.74176%0.758SS**  trans71.4109.6161.756.80000120.5
921N24.6Very low28.2Very low141 Ų141130.9 Ų130.975%0.75476%0.758SS**  trans26.2112.7132.1-51.95.8000118.5
922N27.9Very low28.2Very low156 Ų156130.9 Ų130.983%0.83476%0.763SS**  -176170.795.6-89.7-35.3000112.1
923N26.1Very low27.9Very low149 Ų149128.8 Ų128.880%0.79776%0.757SS**  trans-65.1152.7-179.4-47.2-39000112.2
924E29.5Very low27.9Very low159 Ų159132.5 Ų132.574%0.74377%0.765SS**  -179139.3101-93.3-161.4130.800114.3
925Q28.6Very low27.8Very low155 Ų155131.4 Ų131.472%0.72476%0.76SS**  trans56159.5142.1-59.9-176.137.400123.3
926L27.9Very low27.7Very low126 Ų126135.2 Ų135.266%0.6677%0.766SS**  cis-170.4118.8-44.3-151.3149.1000111.3N928L926-N928 VanDerWaalsContact CD2-OD1 3.24Å; L926-N928 WeakPolarHBondContact CD2-OD1 3.21Å
927S30.8Very low27.7Very low111 Ų111136.4 Ų136.478%0.77676%0.763SS**  trans-173.7104.6154.254.80000110.6
928N30.9Very low27.6Very low122 Ų122137.7 Ų137.765%0.65276%0.761SS**  83.7137.370.4-73.1-13.9000112.8L926L926-N928 VanDerWaalsContact CD2-OD1 3.24Å; L926-N928 WeakPolarHBondContact CD2-OD1 3.21Å
929I31.6Very low27.7Very low139 Ų139141.8 Ų141.871%0.71377%0.766SS**  cis-165.5162.20.3-119.3164.3000108.5
930P26.4Very low27.9Very low97 Ų97140.2 Ų140.263%0.6376%0.761SS**  cis-122.8157.3-24.337.1-22.3000113.5
931V25.2Very low28Very low134 Ų134143.4 Ų143.481%0.81277%0.77SS**  trans-122.5113.8154.4172.70000107.1T933V931-T933 HydrophobicContact CG1-CG2 4.39Å; V931-T933 PolarHBondContact O-N 3.16Å
932T27.9Very low28.1Very low120 Ų120141 Ų14174%0.73676%0.764SS**  trans-88.481.8-175.342.90000112
933T25.8Very low28.2Very low121 Ų121141.9 Ų141.974%0.74277%0.767SS**  trans-109.293.4162.549.50000109.5V931V931-T933 HydrophobicContact CG1-CG2 4.39Å; V931-T933 PolarHBondContact O-N 3.16Å
934H29.8Very low28.3Very low183 Ų183140.4 Ų140.485%0.84776%0.759SS**  trans-95.2107.2173.5-83.6-65.3000111
935H26.6Very low28.3Very low182 Ų182140.1 Ų140.184%0.84376%0.763SS**  trans-147.590.9171.3-146.8-34.4000108.7
936E30.2Very low28.3Very low180 Ų180141 Ų14184%0.84177%0.767SS**  trans-150.3150.7171.4-145168.7-135.400112.6
937T24.9Very low28.5Very low126 Ų126141.9 Ų141.977%0.77378%0.778SS**  trans-137.4103.6-163.7-56.70000110.1
938I30.2Very low28.4Very low156 Ų156142 Ų14280%0.877%0.774SS**  trans-125.1145.8174.3-61.1-175.3000110.2
939K28.3Very low28.5Very low193 Ų193145 Ų14584%0.83978%0.782SS**  trans-92.2143.3-164.3-70.5175.5175.21740114
940A25.9Very low28.4Very low88 Ų88143.7 Ų143.773%0.72778%0.784SS**  trans50.1125.5136.300000120.5
941N29.4Very low28.7Very low173 Ų173144.6 Ų144.693%0.92579%0.793SS**  -143.1158.2106.7-102.8-39.3000110.9
942S26.2Very low28.8Very low91 Ų91143.6 Ų143.664%0.63679%0.792SS**  trans-106154.2-174.5-176.30000111.9
943I30.4Very low29.1Very low174 Ų174142.8 Ų142.889%0.89279%0.789SS**  trans-159.4150141.5-101148.3000108.8
944N26.8Very low29.3Very low119 Ų119144.9 Ų144.964%0.63679%0.79SS**  trans-93.3164.1-162.3-53.9-32000114.4
945N30.7Very low29.2Very low152 Ų152141.4 Ų141.481%0.81378%0.781SS**  173.997.7126-82.6-14.2000108.1
946E29.1Very low29.3Very low175 Ų175139.7 Ų139.782%0.81878%0.784SS**  56.6106.890.2-69.1-158.7164.200116.1
947T31.1Very low29.1Very low144 Ų144137.2 Ų137.288%0.88378%0.782SS**  -156.3136.6113.2-21.90000113.1
948T29.2Very low29.4Very low114 Ų114136.9 Ų136.970%0.69978%0.784SS**  trans-53.2149.4-174.357.40000120.4
949K33.1Very low29.2Very low185 Ų185137.1 Ų137.180%0.80479%0.787SS**  167.9110.1112.6-90.9168.6-175.8177.90111.3
950S28.9Very low29.3Very low110 Ų110135.9 Ų135.977%0.76979%0.79SS**  55.3129.794.670.80000115.1
951S33.2Very low29.2Very low116 Ų116140.6 Ų140.681%0.81179%0.794SS**  cis-155.2150.230.652.70000115.7
952S26.9Very low29.2Very low113 Ų113138.8 Ų138.879%0.7979%0.789SS**  trans-91.9-168.6161.5-37.50000109.7
953P35.2Very low29.1Very low104 Ų104140.1 Ų140.168%0.67579%0.793SS**  cis-124.2-143.5-431.2-5.1000110.6
954E30.2Very low28.9Very low164 Ų164136.8 Ų136.877%0.76678%0.783SS**  cis-154.6-132.79.3-16169.8-8400111.2
955V26.6Very low28.7Very low110 Ų110136.5 Ų136.567%0.66779%0.79SS**  trans-142.5144.7-162.4168.10000111.8
956T29.9Very low28.6Very low147 Ų147134.8 Ų134.890%0.90279%0.785SS**  trans-159.6150139.8-3.50000112.1
957T24.9Very low28.3Very low128 Ų128133.5 Ų133.579%0.78579%0.79SS**  trans-118.2137.8-173.452.10000112.3
958S30.9Very low28.2Very low118 Ų118132.4 Ų132.483%0.82579%0.788SS**  trans-149.1125161.153.90000110.1
959N26.5Very low28Very low161 Ų161132.5 Ų132.586%0.86179%0.793SS**  trans-72.9150.3171.8-61.6-40.9000110
960D30Very low27.6Very low168 Ų168130.4 Ų130.490%0.89879%0.79SS**  trans-149.9155.7141.7-126-32.6000112
961F24.5Very low27.5Very low187 Ų187130.9 Ų130.982%0.8279%0.79SS**  trans-122.398.3-154.6-155.6-79.8000112.3
962V28.4Very low27.1Very low135 Ų135130.5 Ų130.582%0.81879%0.787SS**  trans-138.3129.1170.7-178.30000111.6
963V23.8Very low27.1Very low119 Ų119129.8 Ų129.872%0.72178%0.782SS**  trans-98.1126.6170.1173.60000109.7
964P27.3Very low26.7Very low104 Ų104133.4 Ų133.468%0.67580%0.795SS**  trans-104.8104.616332.4-22.4000110.8T966P964-T966 PolarHBondContact O-N 3.45Å
965S22.4Very low26.5Very low112 Ų112134 Ų13478%0.78380%0.803SS**  trans-79.9103.9164.554.40000109.7
966T28.5Very low26.4Very low117 Ų117133.1 Ų133.172%0.71880%0.801SS**  trans-128.1108.9179.145.60000112.9P964P964-T966 PolarHBondContact O-N 3.45Å
967T23.8Very low26.2Very low148 Ų148134.8 Ų134.891%0.90880%0.798SS**  trans-59.9137.5156.148.70000110.1
968S28Very low26.3Very low121 Ų121135.8 Ų135.885%0.84680%0.804SS**  trans-131.8144.5169.152.70000110.9
969S26.1Very low26Very low115 Ų115133.5 Ų133.580%0.80480%0.8SS**  trans-100.6168.9-165.352.30000113.8
970L24.2Very low26.2Very low142 Ų142132.4 Ų132.474%0.74380%0.799SS**  trans-58.4151.9173.5-67.278.1000112.7S972L970-S972 PolarHBondContact O-N 3.27Å
971P26.1Very low26.3Very low120 Ų120129 Ų12978%0.77979%0.788SS**  trans-83.990.6150.333.7-28.6000110.1S973P971-S973 PolarHBondContact O-N 3.03Å; P971-S973 VanDerWaalsContact O-N 3.16Å
972S25.5Very low26.7Very low107 Ų107122.1 Ų122.175%0.74877%0.77SS**  trans-8381.3177-63.20000112L970L970-S972 PolarHBondContact O-N 3.27Å
973S26.2Very low26.9Very low98 Ų98117.8 Ų117.869%0.68575%0.753SS**  trans-157.495173.860.70000114.3P971P971-S973 PolarHBondContact O-N 3.03Å; P971-S973 VanDerWaalsContact O-N 3.16Å
974L26.9Very low27.2Very low180 Ų180119.1 Ų119.194%0.94276%0.755SS**  trans176.596.3140-99.5165.8000108.7
975L25.5Very low27.7Very low178 Ų178119.1 Ų119.193%0.93275%0.748SS**  trans-152.2121.7173.6-158.8120.3000110
976S24.7Very low28.4Very low90 Ų90120 Ų12063%0.62974%0.742SS**  trans-155.5116.6169.157.90000109.6
977H25.9Very low28.9Very low182 Ų182119.6 Ų119.684%0.84374%0.735SS**SBendtrans60.3113.5176.3-40.1-74.4000113.4
978V27.3Very low29.9Very low149 Ų149115.3 Ų115.390%0.90372%0.715SS**  cis-145.6156.344.2162.50000110
979G25.3Very low30.6Very low71 Ų71115.2 Ų115.273%0.73270%0.701SS**  trans-96.2131.4-163.100000117.3
980T30.5Very low31.5Very low138 Ų138114.1 Ų114.185%0.84769%0.686SS**  trans-137.5121150.145.60000109.6G982T980-G982 PolarHBondContact O-N 2.81Å
981S31.7Very low32.8Very low95 Ų95109.9 Ų109.966%0.66467%0.671SS**  trans-81.8-8.8-16848.20000115.6G983S981-G983 PolarHBondContact O-N 3.38Å
982G32.3Very low34.2Very low43 Ų43111 Ų11144%0.44366%0.664SS.*Hα-helixtrans-65.9-39.1-17100000115.4T980 L984 I985 M986T980-G982 PolarHBondContact O-N 2.81Å; G982-L984 PolarHBondContact O-N 3.32Å; G982-I985 PolarHBondContact O-N 3.04Å; G982-M986 PolarHBondContact O-N 2.92Å; G982-M986 VanDerWaalsContact O-N 3.1Å
983G32.2Very low35.6Very low45 Ų45111.7 Ų111.746%0.46465%0.654SS.*Hα-helixtrans-66.3-37.4-172.200000114.5S981 N987S981-G983 PolarHBondContact O-N 3.38Å; G983-N987 PolarHBondContact O-N 3.41Å
984L31.2Very low37.4Very low147 Ų147112 Ų11277%0.7765%0.646SS**Hα-helixtrans-73.5-33.8178.7-68.3174.4000112.3G982 A988G982-L984 PolarHBondContact O-N 3.32Å; L984-A988 PolarHBondContact O-N 2.86Å
985I37.7Very low39Very low103 Ų103110.3 Ų110.353%0.52863%0.634SS.*Hα-helixtrans-67.3-45.2175.9-63.2172.1000110G982 N987 A988 E989G982-I985 PolarHBondContact O-N 3.04Å; I985-N987 VanDerWaalsContact C-N 3.34Å; I985-N987 PolarHBondContact O-N 3.48Å; I985-A988 PolarHBondContact O-N 2.95Å; I985-A988 VanDerWaalsContact O-N 3.15Å; I985-E989 HydrophobicContact CG2-CG 4.13Å; I985-E989 WeakPolarHBondContact O-CB 3.35Å; I985-E989 WeakPolarHBondContact O-CG 3.47Å; I985-E989 PolarHBondContact O-N 2.86Å
986M36.6Very low40.8Very low131 Ų131106.7 Ų106.765%0.64561%0.612SS**Hα-helixtrans-62.3-40.4-179-154.6-163.4-54.200112.4G982 L990G982-M986 PolarHBondContact O-N 2.92Å; G982-M986 VanDerWaalsContact O-N 3.1Å; M986-L990 WeakPolarHBondContact O-CB 3.39Å; M986-L990 PolarHBondContact O-N 3.45Å
987N39.4Very low42.3Very low108 Ų108105.7 Ų105.758%0.57860%0.597SS**Hα-helixtrans-65.1-37.2175-78.4-26.5000112.8G983 I985 A991G983-N987 PolarHBondContact O-N 3.41Å; I985-N987 VanDerWaalsContact C-N 3.34Å; I985-N987 PolarHBondContact O-N 3.48Å; N987-A991 VanDerWaalsContact O-CB 3.29Å; N987-A991 WeakPolarHBondContact O-CB 3.42Å; N987-A991 PolarHBondContact O-N 3.16Å
988A44.7Very low43.8Very low59 Ų5999.8 Ų99.849%0.48858%0.58SS.*Hα-helixtrans-69.4-46.4176.400000112L984 I985 A991 K992L984-A988 PolarHBondContact O-N 2.86Å; I985-A988 PolarHBondContact O-N 2.95Å; I985-A988 VanDerWaalsContact O-N 3.15Å; A988-A991 PolarHBondContact O-N 3.4Å; A988-K992 VanDerWaalsContact O-CB 3.26Å; A988-K992 WeakPolarHBondContact O-CB 3.29Å; A988-K992 PolarHBondContact O-N 3.39Å
989E43Very low45.2Very low118 Ų11896.3 Ų96.355%0.55156%0.563SS**Hα-helixtrans-60.6-45.8176.2-72.7-74.5105.600111.4I985 K992 F993I985-E989 HydrophobicContact CG2-CG 4.13Å; I985-E989 WeakPolarHBondContact O-CB 3.35Å; I985-E989 WeakPolarHBondContact O-CG 3.47Å; I985-E989 PolarHBondContact O-N 2.86Å; E989-K992 PolarHBondContact O-N 2.77Å; E989-F993 WeakPolarHBondContact O-CB 3.32Å; E989-F993 PolarHBondContact O-N 3.07Å
990L45.3Very low46.6Very low93 Ų9396 Ų9649%0.48754%0.542SS..Hα-helixtrans-63.4-44.7178-179.760.6000112.1M986 K992 F993 I994M986-L990 WeakPolarHBondContact O-CB 3.39Å; M986-L990 PolarHBondContact O-N 3.45Å; L990-K992 VanDerWaalsContact C-N 3.33Å; L990-K992 PolarHBondContact O-N 2.96Å; L990-F993 PolarHBondContact O-N 3.37Å; L990-I994 HydrophobicContact CD1-CD1 4.06Å; L990-I994 HydrophobicContact CD1-CG1 4.37Å; L990-I994 HydrophobicContact CG-CD1 3.97Å; L990-I994 WeakPolarHBondContact O-CB 3.2Å; L990-I994 VanDerWaalsContact O-CG1 3.26Å; L990-I994 WeakPolarHBondContact O-CG1 3.31Å; L990-I994 PolarHBondContact O-N 3.12Å
991A51.5Low47.6Very low53 Ų5391.3 Ų91.344%0.43851%0.513SS..Hα-helixtrans-61.6-42.4175.600000111.7N987 A988 I994 Q995N987-A991 VanDerWaalsContact O-CB 3.29Å; N987-A991 WeakPolarHBondContact O-CB 3.42Å; N987-A991 PolarHBondContact O-N 3.16Å; A988-A991 PolarHBondContact O-N 3.4Å; A991-I994 PolarHBondContact O-N 3.27Å; A991-Q995 WeakPolarHBondContact O-CB 3.39Å; A991-Q995 PolarHBondContact O-N 3.12Å
992K54.9Low48.7Very low142 Ų14289 Ų8962%0.61750%0.499SS*.Hα-helixtrans-64.6-42.4177.6-160.1-179.4-173.4-1730111.6A988 E989 L990 Q995 E996A988-K992 VanDerWaalsContact O-CB 3.26Å; A988-K992 WeakPolarHBondContact O-CB 3.29Å; A988-K992 PolarHBondContact O-N 3.39Å; E989-K992 PolarHBondContact O-N 2.77Å; L990-K992 VanDerWaalsContact C-N 3.33Å; L990-K992 PolarHBondContact O-N 2.96Å; K992-Q995 PolarHBondContact O-N 2.65Å; K992-E996 VanDerWaalsContact O-CB 3.31Å; K992-E996 WeakPolarHBondContact O-CB 3.47Å; K992-E996 PolarHBondContact O-N 2.73Å
993F54.6Low49.5Very low123 Ų12388.9 Ų88.954%0.53950%0.495SS..Hα-helixtrans-63.7-43173.9179.1-99.2000112.4E989 L990 Q995 E996 Q997E989-F993 WeakPolarHBondContact O-CB 3.32Å; E989-F993 PolarHBondContact O-N 3.07Å; L990-F993 PolarHBondContact O-N 3.37Å; F993-Q995 VanDerWaalsContact C-N 3.32Å; F993-Q995 PolarHBondContact O-N 3.46Å; F993-E996 PolarHBondContact O-N 3.09Å; F993-Q997 HydrophobicContact CD1-CG 4.28Å; F993-Q997 HydrophobicContact CD2-CG 4.48Å; F993-Q997 HydrophobicContact CE1-CG 3.93Å; F993-Q997 HydrophobicContact CE2-CG 4.14Å; F993-Q997 HydrophobicContact CZ-CG 3.86Å; F993-Q997 WeakPolarHBondContact O-CB 3.42Å; F993-Q997 VanDerWaalsContact O-CG 3.29Å; F993-Q997 WeakPolarHBondContact O-CG 3.47Å; F993-Q997 PolarHBondContact O-N 3.29Å
994I63.9Low49.9Very low103 Ų10393.4 Ų93.453%0.52850%0.498SS..Hα-helixtrans-61.3-42.3175.2-71.2165.9000110.7L990 A991 Q997 A998L990-I994 HydrophobicContact CD1-CD1 4.06Å; L990-I994 HydrophobicContact CD1-CG1 4.37Å; L990-I994 HydrophobicContact CG-CD1 3.97Å; L990-I994 WeakPolarHBondContact O-CB 3.2Å; L990-I994 VanDerWaalsContact O-CG1 3.26Å; L990-I994 WeakPolarHBondContact O-CG1 3.31Å; L990-I994 PolarHBondContact O-N 3.12Å; A991-I994 PolarHBondContact O-N 3.27Å; I994-Q997 PolarHBondContact O-N 3.06Å; I994-A998 WeakPolarHBondContact O-CB 3.49Å; I994-A998 PolarHBondContact O-N 3.45Å
995Q61Low50.8Low146 Ų14692.2 Ų92.268%0.68249%0.488SS*.Hα-helixtrans-70.6-38.3179.3-169.6166.5-5.600112.8A991 K992 F993 A998 S999A991-Q995 WeakPolarHBondContact O-CB 3.39Å; A991-Q995 PolarHBondContact O-N 3.12Å; K992-Q995 PolarHBondContact O-N 2.65Å; F993-Q995 VanDerWaalsContact C-N 3.32Å; F993-Q995 PolarHBondContact O-N 3.46Å; Q995-A998 PolarHBondContact O-N 3.28Å; Q995-S999 WeakPolarHBondContact O-CB 3.24Å; Q995-S999 PolarHBondContact O-N 3.31Å
996E62.2Low51.1Low101 Ų10194.2 Ų94.247%0.47250%0.495SS..Hα-helixtrans-58.3-51.9170.5-179.863.2-134.700110.8K992 F993 A998 S999 Q1000K992-E996 VanDerWaalsContact O-CB 3.31Å; K992-E996 WeakPolarHBondContact O-CB 3.47Å; K992-E996 PolarHBondContact O-N 2.73Å; F993-E996 PolarHBondContact O-N 3.09Å; E996-A998 VanDerWaalsContact C-N 3.34Å; E996-A998 PolarHBondContact O-N 3.06Å; E996-S999 PolarHBondContact O-N 3.12Å; E996-Q1000 WeakPolarHBondContact O-CG 3.39Å; E996-Q1000 PolarHBondContact O-N 2.74Å; E996-Q1000 PolarHBondContact OE1-NE2 3.04Å
997Q58.2Low51.3Low69 Ų6997.6 Ų97.632%0.32250%0.501SS..Hα-helixtrans-63.4-36.7178.2-69.3-62.1-33.800112.8F993 I994 V1001F993-Q997 HydrophobicContact CD1-CG 4.28Å; F993-Q997 HydrophobicContact CD2-CG 4.48Å; F993-Q997 HydrophobicContact CE1-CG 3.93Å; F993-Q997 HydrophobicContact CE2-CG 4.14Å; F993-Q997 HydrophobicContact CZ-CG 3.86Å; F993-Q997 WeakPolarHBondContact O-CB 3.42Å; F993-Q997 VanDerWaalsContact O-CG 3.29Å; F993-Q997 WeakPolarHBondContact O-CG 3.47Å; F993-Q997 PolarHBondContact O-N 3.29Å; I994-Q997 PolarHBondContact O-N 3.06Å; Q997-V1001 VanDerWaalsContact O-CG2 3.29Å; Q997-V1001 WeakPolarHBondContact O-CG2 3.11Å; Q997-V1001 PolarHBondContact O-N 2.8Å; Q997-V1001 VanDerWaalsContact O-N 3.1Å
998A55.7Low51.2Low58 Ų58100.8 Ų100.848%0.47951%0.51SS..Hα-helixtrans-65.3-46.4174.200000111.8I994 Q995 E996 V1001 A1002I994-A998 WeakPolarHBondContact O-CB 3.49Å; I994-A998 PolarHBondContact O-N 3.45Å; Q995-A998 PolarHBondContact O-N 3.28Å; E996-A998 VanDerWaalsContact C-N 3.34Å; E996-A998 PolarHBondContact O-N 3.06Å; A998-V1001 PolarHBondContact O-N 3.01Å; A998-A1002 PolarHBondContact O-N 2.78Å
999S56.7Low50.9Low77 Ų77104.7 Ų104.754%0.53852%0.523SS..Hα-helixtrans-60.3-46.7177.6-172.50000111.7Q995 E996 V1001 A1002 A1003Q995-S999 WeakPolarHBondContact O-CB 3.24Å; Q995-S999 PolarHBondContact O-N 3.31Å; E996-S999 PolarHBondContact O-N 3.12Å; S999-V1001 VanDerWaalsContact C-N 3.28Å; S999-V1001 PolarHBondContact O-N 2.82Å; S999-A1002 PolarHBondContact O-N 3.28Å; S999-A1003 WeakPolarHBondContact O-CB 3.43Å; S999-A1003 PolarHBondContact O-N 3.18Å
1000Q56Low50.2Low63 Ų63106.7 Ų106.729%0.29453%0.534SS..Hα-helixtrans-66.9-25.2176.8-65.2-171.423.100113.8E996 R1004E996-Q1000 WeakPolarHBondContact O-CG 3.39Å; E996-Q1000 PolarHBondContact O-N 2.74Å; E996-Q1000 PolarHBondContact OE1-NE2 3.04Å; Q1000-R1004 WeakPolarHBondContact O-CB 3.47Å; Q1000-R1004 WeakPolarHBondContact O-CD 3.36Å; Q1000-R1004 WeakPolarHBondContact O-CG 3.45Å; Q1000-R1004 PolarHBondContact O-N 3.02Å
1001V50.5Low49.4Very low41 Ų41106.6 Ų106.625%0.24854%0.541CS..Hα-helixtrans-72.5-45.8171.41660000110.6Q997 A998 S999 A1003 R1004 Q1005Q997-V1001 VanDerWaalsContact O-CG2 3.29Å; Q997-V1001 WeakPolarHBondContact O-CG2 3.11Å; Q997-V1001 PolarHBondContact O-N 2.8Å; Q997-V1001 VanDerWaalsContact O-N 3.1Å; A998-V1001 PolarHBondContact O-N 3.01Å; S999-V1001 VanDerWaalsContact C-N 3.28Å; S999-V1001 PolarHBondContact O-N 2.82Å; V1001-A1003 PolarHBondContact O-N 3.44Å; V1001-R1004 PolarHBondContact O-N 3.01Å; V1001-Q1005 WeakPolarHBondContact O-CG 3.44Å; V1001-Q1005 PolarHBondContact O-N 3.41Å
1002A55Low48.3Very low45 Ų45110.5 Ų110.537%0.37256%0.56SS.*Hα-helixtrans-60.4-45.3177.200000112A998 S999 R1004 Q1005 Q1006A998-A1002 PolarHBondContact O-N 2.78Å; S999-A1002 PolarHBondContact O-N 3.28Å; A1002-R1004 VanDerWaalsContact C-N 3.31Å; A1002-R1004 PolarHBondContact O-N 3.46Å; A1002-Q1005 PolarHBondContact O-N 2.93Å; A1002-Q1006 PolarHBondContact O-N 3.15Å
1003A49.4Very low46.9Very low42 Ų42111.3 Ų111.335%0.34757%0.571SS.*Hα-helixtrans-62.9-34.3176.600000113.1S999 V1001 R1007S999-A1003 WeakPolarHBondContact O-CB 3.43Å; S999-A1003 PolarHBondContact O-N 3.18Å; V1001-A1003 PolarHBondContact O-N 3.44Å; A1003-R1007 WeakPolarHBondContact O-CG 3.25Å; A1003-R1007 PolarHBondContact O-N 2.76Å
1004R40.9Very low45.6Very low139 Ų139110 Ų11053%0.52558%0.577SS.*Hα-helixtrans-72.3-37.8174.2-74.8172.21791190.1111.9Q1000 V1001 A1002 R1007 F1008Q1000-R1004 WeakPolarHBondContact O-CB 3.47Å; Q1000-R1004 WeakPolarHBondContact O-CD 3.36Å; Q1000-R1004 WeakPolarHBondContact O-CG 3.45Å; Q1000-R1004 PolarHBondContact O-N 3.02Å; V1001-R1004 PolarHBondContact O-N 3.01Å; A1002-R1004 VanDerWaalsContact C-N 3.31Å; A1002-R1004 PolarHBondContact O-N 3.46Å; R1004-R1007 PolarHBondContact O-N 2.91Å; R1004-F1008 PolarHBondContact O-N 2.84Å; R1004-F1008 VanDerWaalsContact O-N 3.11Å
1005Q50Low44.1Very low123 Ų123111.6 Ų111.658%0.57559%0.591SS**Hα-helixtrans-64-41174.5-73.7172.7-22.900112.2V1001 A1002 R1007 F1008 N1009V1001-Q1005 WeakPolarHBondContact O-CG 3.44Å; V1001-Q1005 PolarHBondContact O-N 3.41Å; A1002-Q1005 PolarHBondContact O-N 2.93Å; Q1005-R1007 VanDerWaalsContact C-N 3.31Å; Q1005-R1007 PolarHBondContact O-N 3.36Å; Q1005-F1008 PolarHBondContact O-N 3.44Å; Q1005-N1009 PolarHBondContact O-N 3.24Å
1006Q43.9Very low42.5Very low145 Ų145111 Ų11168%0.67859%0.591SS**Hα-helixtrans-61.6-37.2174-72.8177.4-14.200112.6A1002A1002-Q1006 PolarHBondContact O-N 3.15Å
1007R40Very low41.2Very low202 Ų202113.3 Ų113.376%0.76261%0.607SS**Hα-helixtrans-71.4-31.8176.5-71.4178.9-175.8-171.31.9113.6A1003 R1004 Q1005 N1009A1003-R1007 WeakPolarHBondContact O-CG 3.25Å; A1003-R1007 PolarHBondContact O-N 2.76Å; R1004-R1007 PolarHBondContact O-N 2.91Å; Q1005-R1007 VanDerWaalsContact C-N 3.31Å; Q1005-R1007 PolarHBondContact O-N 3.36Å; R1007-N1009 VanDerWaalsContact C-N 3.33Å
1008F37.9Very low39.8Very low175 Ų175116.7 Ų116.777%0.76863%0.627SS**Hα-helixtrans-75.1-18.6178.5-98.1-83000114.3R1004 Q1005 M1010R1004-F1008 PolarHBondContact O-N 2.84Å; R1004-F1008 VanDerWaalsContact O-N 3.11Å; Q1005-F1008 PolarHBondContact O-N 3.44Å; F1008-M1010 VanDerWaalsContact C-N 3.35Å
1009N37.5Very low38.8Very low141 Ų141119.9 Ų119.975%0.75464%0.636SS**THydrogen-bonded Turntrans-93.417.9176.5-71.6-5.8000113.4Q1005 R1007Q1005-N1009 PolarHBondContact O-N 3.24Å; R1007-N1009 VanDerWaalsContact C-N 3.33Å
1010M29.5Very low37.6Very low159 Ų159122.7 Ų122.778%0.78364%0.641SS**SBendtrans-137.839.1-167.7-91.8-83.3121.100113.6F1008F1008-M1010 VanDerWaalsContact C-N 3.35Å
1011S27.8Very low36.5Very low91 Ų91127.1 Ų127.164%0.63666%0.661SS**  trans-154.343-177.4570000117.2
1012T28.7Very low35.4Very low136 Ų136132.8 Ų132.883%0.83469%0.685SS**  trans-131.863.3171.552.10000113.6
1013N26.1Very low34.2Very low159 Ų159136.8 Ų136.885%0.8570%0.7SS**  trans-163.5144.9164.2-86.8-41.9000106.2
1014S26.7Very low33.4Very low95 Ų95141.3 Ų141.366%0.66472%0.718SS**  cis-167.3130.5-4.149.60000109.9
1015V31.6Very low32.8Very low137 Ų137139.6 Ų139.683%0.8373%0.727SS**  trans-14490.5165.1-174.80000110.1
1016I28.7Very low31.9Very low133 Ų133140.6 Ų140.668%0.68274%0.742SS**  45.9107.5115.8-56.4159.1000117.6
1017N33.9Very low31.1Very low149 Ų149137 Ų13780%0.79774%0.744SS**  -165.8154.5115.7-97.4-17.5000110.6
1018D30.2Very low30.5Very low141 Ų141132.2 Ų132.275%0.75475%0.748SS**  trans-55.6162.3-171.2-47.4-53.8000114.7
1019D33.9Very low30.1Very low125 Ų125129.7 Ų129.767%0.66875%0.752SS**  cis-156.5150.530.6-149-16.9000115
1020Q30.7Very low29.7Very low135 Ų135130.4 Ų130.463%0.63175%0.754SS**  trans54.7125.5154.7-86.8162.781.600125.5
1021Q32.8Very low29.7Very low156 Ų156128.9 Ų128.973%0.72976%0.756SS**  trans75.4139.8141-63.4174.24700120.8
1022Q28.2Very low29.6Very low160 Ų160130.2 Ų130.275%0.74876%0.76SS**  cis-166164.9-30.4-139.7-179.2-3.300110.9
1023L30.6Very low29.6Very low129 Ų129129.9 Ų129.968%0.67576%0.758SS**  trans76.698.5157.5-62.9164.7000120.6
1024D31.2Very low29.7Very low138 Ų138129.6 Ų129.674%0.73876%0.755SS**  74.699.2115.5-60.27.7000122.5
1025S28Very low29.6Very low102 Ų102131.2 Ų131.271%0.71377%0.765SS**  trans-11.5144.314153.40000120.7
1026T32.9Very low29.4Very low144 Ų144128.1 Ų128.188%0.88376%0.761SS**  -173.4146.1109.5210000114.8
1027G27.2Very low29.3Very low71 Ų71129.5 Ų129.573%0.73277%0.77SS**  trans62.890.8133.600000122.3
1028A25.6Very low29.1Very low101 Ų101127.9 Ų127.984%0.83577%0.77SS**  trans48.9122.9134.500000122.5
1029S30.8Very low29Very low121 Ų121128.4 Ų128.485%0.84677%0.773SS**  -171.2158.4126.137.30000112.3
1030I29Very low28.8Very low157 Ų157132.9 Ų132.981%0.80579%0.787SS**  trans-111.5139.7171.4-50.8167.5000107.2
1031P29.5Very low28.8Very low126 Ų126129.8 Ų129.882%0.81879%0.792SS**  trans-141171.6131.235.7-21.3000113.9
1032T26.4Very low28.5Very low120 Ų120128 Ų12874%0.73680%0.796SS**  trans-119.9151.4-167.8-34.30000112.2
1033T27.7Very low28.7Very low129 Ų129127.7 Ų127.779%0.79180%0.799SS**  trans86.9159.3152-17.10000119.7
1034I28.4Very low28.6Very low153 Ų153132.9 Ų132.979%0.78581%0.809SS**  trans94.893.9161.3-45.3-169.7000118.7
1035C23.4Very low28.6Very low128 Ų128129.7 Ų129.787%0.86581%0.809SS**  31.3132.5124.2-151.60000121.8
1036G29Very low28.7Very low73 Ų73132.6 Ų132.675%0.75382%0.817SS**  trans179.5133.3160.600000114.2
1037N25.7Very low28.6Very low161 Ų161134.6 Ų134.686%0.86182%0.821SS**  trans-98150.5170-68.2-14.3000110.3
1038S30.4Very low28.6Very low115 Ų115135.3 Ų135.380%0.80482%0.82SS**  trans175.7147.9136.435.80000113
1039D27Very low28.7Very low152 Ų152138.6 Ų138.681%0.81382%0.821SS**  trans-81.1136.1169.7-51.1-92.9000112
1040F30Very low28.8Very low219 Ų219137.7 Ų137.796%0.96181%0.811SS**  trans-167.1143.6151.8-92-68.5000108.2
1041G30.5Very low28.6Very low71 Ų71139.6 Ų139.673%0.73282%0.817SS**  cis-166.7171.4-3.900000111
1042S27.4Very low28.6Very low117 Ų117137.7 Ų137.782%0.81882%0.82SS**  trans-92.5175.8179.8-171.10000112.4
1043L32.7Very low28.6Very low154 Ų154136.1 Ų136.181%0.80683%0.828SS**  trans90141.7179.9-55.5165.7000115.6
1044R28.6Very low28.5Very low238 Ų238133.1 Ų133.190%0.89882%0.823SS**  cis-173136-18.7-170.8-173.7-157.1-154.87.1108.8
1045G31.4Very low28.6Very low72 Ų72130.8 Ų130.874%0.74282%0.815SS**  trans160.8128.3167.500000114.3
1046N28.4Very low28.8Very low163 Ų163133 Ų13387%0.87281%0.813SS**  trans-102.1142.2-177.2-56.9-26.6000111.6
1047L30.7Very low29Very low185 Ų185135.1 Ų135.197%0.96981%0.812SS**  trans-161.8157.8140.1-103.5157.8000107.8
1048A27.8Very low29.3Very low87 Ų87129.7 Ų129.772%0.71979%0.786SS**  trans-135172.3-154.600000115.2
1049M28.6Very low29.4Very low170 Ų170129.6 Ų129.684%0.83778%0.776SS**  trans82.1144.8173.5-50.6-59-79.700116.5
1050P32.1Very low29.8Very low101 Ų101126 Ų12666%0.65676%0.763SS**  cis-134.5158.1-28.536-19000115.7
1051E25.6Very low30.3Very low197 Ų197125.4 Ų125.492%0.92175%0.754SS**  trans25.3107.6145.6-59.9178.1167.600119.7
1052G28.8Very low31Very low86 Ų86124.4 Ų124.489%0.88773%0.732SS**  trans-171.826.2174.200000116.4
1053G26.3Very low32.2Very low87 Ų87122.7 Ų122.790%0.89772%0.72SS**  trans-109.5105.3-171.500000114.4
1054G25.9Very low33.5Very low67 Ų67116 Ų11669%0.69169%0.685SS**  trans-158.27.9-18000000118.1
1055V30.5Very low35.1Very low103 Ų103106.5 Ų106.562%0.62466%0.655SS**SBendtrans-108-31-165.2-174.80000114.4T1057 S1058V1055-T1057 PolarHBondContact O-N 3.39Å; V1055-S1058 PolarHBondContact O-OG 3.21Å; V1055-S1058 VanDerWaalsContact O-OG 3.05Å
1056E28.4Very low36.6Very low175 Ų175107 Ų10782%0.81865%0.652SS**THydrogen-bonded Turntrans-73-20.4-165.6-60.9-166.6131.400115.5S1058E1056-S1058 PolarHBondContact O-N 3.23Å
1057T32.1Very low38.2Very low118 Ų118103.8 Ų103.872%0.72464%0.638SS**THydrogen-bonded Turntrans-69.7-13.5-175.750.60000114.4V1055 S1060V1055-T1057 PolarHBondContact O-N 3.39Å; T1057-S1060 PolarHBondContact O-OG 2.81Å; T1057-S1060 VanDerWaalsContact O-OG 3.11Å
1058S31.5Very low39.9Very low46 Ų4695.8 Ų95.832%0.32260%0.596SS.*THydrogen-bonded Turntrans-81.8-46.2-179.161.20000113.1V1055 E1056 S1060 R1061V1055-S1058 PolarHBondContact O-OG 3.21Å; V1055-S1058 VanDerWaalsContact O-OG 3.05Å; E1056-S1058 PolarHBondContact O-N 3.23Å; S1058-S1060 VanDerWaalsContact C-N 3.32Å; S1058-S1060 PolarHBondContact O-N 2.98Å; S1058-R1061 PolarHBondContact O-N 3.4Å
1059L32Very low41.6Very low114 Ų11496.1 Ų96.160%0.59758%0.581SS**G310 helixtrans-68.3-28.4-175.4-70171.9000113.1R1061 L1062L1059-R1061 PolarHBondContact O-N 2.93Å; L1059-R1061 VanDerWaalsContact O-N 3.08Å; L1059-L1062 WeakPolarHBondContact O-CB 3.32Å; L1059-L1062 PolarHBondContact O-N 3.4Å
1060S36.3Very low43.3Very low77 Ų7798.4 Ų98.454%0.53858%0.581SS.*G310 helixtrans-62.7-11176.234.10000114.7T1057 S1058 L1062T1057-S1060 PolarHBondContact O-OG 2.81Å; T1057-S1060 VanDerWaalsContact O-OG 3.11Å; S1058-S1060 VanDerWaalsContact C-N 3.32Å; S1058-S1060 PolarHBondContact O-N 2.98Å; S1060-L1062 VanDerWaalsContact C-N 3.3Å
1061R41.6Very low44.8Very low206 Ų20696.6 Ų96.678%0.77757%0.565SS**G310 helixtrans-73.2-19.4169.4-72.5-175.6167.5-166.9-4.1113.5S1058 L1059S1058-R1061 PolarHBondContact O-N 3.4Å; L1059-R1061 PolarHBondContact O-N 2.93Å; L1059-R1061 VanDerWaalsContact O-N 3.08Å
1062L44.9Very low46.6Very low50 Ų5087.9 Ų87.926%0.26253%0.525SS..SBendtrans-98.9-4.8-170.8-61.1175.1000114.7L1059 S1060 L1064 E1087L1059-L1062 WeakPolarHBondContact O-CB 3.32Å; L1059-L1062 PolarHBondContact O-N 3.4Å; S1060-L1062 VanDerWaalsContact C-N 3.3Å; L1062-L1064 PolarHBondContact O-N 3.45Å; L1062-E1087 WeakPolarHBondContact CD2-OE2 3.46Å
1063S51.6Low47.9Very low81 Ų8186.7 Ų86.757%0.56650%0.502SS*.  trans-73.391.2-179.162.70000111.9S94S94-S1063 PolarHBondContact OG-O 3.34Å
1064L59.3Low49.2Very low14 Ų1487.6 Ų87.67%0.07349%0.491CS..  trans-62143.5155.6-62177.2000109.4M96 E97 L100 L1062 F1068 K1069 L1080M96-L1064 HydrophobicContact CB-CD2 4.08Å; M96-L1064 HydrophobicContact CG-CD2 4.07Å; E97-L1064 VanDerWaalsContact CA-CD2 3.45Å; E97-L1064 HydrophobicContact CB-CD2 3.47Å; E97-L1064 VanDerWaalsContact CB-CD2 3.47Å; E97-L1064 HydrophobicContact CG-CD2 4.05Å; E97-L1064 VanDerWaalsContact N-CD2 3.31Å; L100-L1064 HydrophobicContact CD1-CD1 4.04Å; L100-L1064 HydrophobicContact CD1-CD2 4.19Å; L1062-L1064 PolarHBondContact O-N 3.45Å; L1064-F1068 HydrophobicContact CD1-CD1 4.41Å; L1064-F1068 HydrophobicContact CD2-CD1 4.39Å; L1064-K1069 HydrophobicContact CB-CD 4.45Å; L1064-K1069 HydrophobicContact CB-CG 3.94Å; L1064-K1069 HydrophobicContact CD1-CG 4.19Å; L1064-L1080 HydrophobicContact CD1-CD1 3.44Å; L1064-L1080 VanDerWaalsContact CD1-CD1 3.44Å; L1064-L1080 HydrophobicContact CD1-CD2 3.42Å; L1064-L1080 VanDerWaalsContact CD1-CD2 3.42Å; L1064-L1080 HydrophobicContact CD1-CG 4.07Å
1065S64Low50.2Low38 Ų3892.5 Ų92.527%0.26649%0.489SS..  trans-61.8140.2174.462.60000111.1E97 T1067 F1068 K1069E97-S1065 VanDerWaalsContact CD-OG 3.32Å; E97-S1065 PolarHBondContact OE1-OG 3.11Å; E97-S1065 VanDerWaalsContact OE2-CB 3.3Å; E97-S1065 WeakPolarHBondContact OE2-CB 3.32Å; E97-S1065 PolarHBondContact OE2-N 3.08Å; E97-S1065 PolarHBondContact OE2-OG 3.38Å; S1065-T1067 PolarHBondContact O-N 3.14Å; S1065-F1068 PolarHBondContact O-N 2.97Å; S1065-F1068 WeakPolarHBondContact OG-CB 3.29Å; S1065-F1068 PolarHBondContact OG-N 2.98Å; S1065-K1069 PolarHBondContact O-N 3.16Å
1066A61.2Low51.1Low83 Ų8389.1 Ų89.169%0.68647%0.465SS*.Hα-helixtrans-58-36178.900000111.8K1069 R1070A1066-K1069 PolarHBondContact O-N 3.43Å; A1066-R1070 WeakPolarHBondContact O-CB 3.37Å; A1066-R1070 PolarHBondContact O-N 3.08Å
1067T62.7Low52.8Low94 Ų9482.7 Ų82.758%0.57744%0.442SS*.Hα-helixtrans-60.5-44.5173.4-44.90000112.2S1065 R1070 N1071S1065-T1067 PolarHBondContact O-N 3.14Å; T1067-R1070 PolarHBondContact O-N 3.01Å; T1067-N1071 WeakPolarHBondContact O-CB 3.46Å; T1067-N1071 VanDerWaalsContact O-CG 3.29Å; T1067-N1071 PolarHBondContact O-N 3.1Å; T1067-N1071 PolarHBondContact O-OD1 3.48Å
1068F65.8Low54.1Low18 Ų1882.5 Ų82.58%0.07943%0.431CS..Hα-helixtrans-66.8-44.9176.1-175.5-101.5000111.6E97 L100 R101 L104 L1064 S1065 R1070 N1071 L1072E97-F1068 HydrophobicContact CG-CB 4.02Å; E97-F1068 HydrophobicContact CG-CD1 3.66Å; E97-F1068 HydrophobicContact CG-CD2 3.97Å; E97-F1068 HydrophobicContact CG-CE1 4.06Å; E97-F1068 HydrophobicContact CG-CE2 4.35Å; E97-F1068 HydrophobicContact CG-CG 3.6Å; E97-F1068 HydrophobicContact CG-CZ 4.38Å; L100-F1068 HydrophobicContact CB-CE1 3.89Å; L100-F1068 HydrophobicContact CB-CZ 3.71Å; L100-F1068 HydrophobicContact CD1-CE1 3.93Å; R101-F1068 HydrophobicContact CG-CD2 4.48Å; R101-F1068 HydrophobicContact CG-CE2 3.74Å; R101-F1068 HydrophobicContact CG-CZ 4.35Å; L104-F1068 HydrophobicContact CD1-CE2 4.07Å; L104-F1068 HydrophobicContact CD1-CZ 3.91Å; L1064-F1068 HydrophobicContact CD1-CD1 4.41Å; L1064-F1068 HydrophobicContact CD2-CD1 4.39Å; S1065-F1068 PolarHBondContact O-N 2.97Å; S1065-F1068 WeakPolarHBondContact OG-CB 3.29Å; S1065-F1068 PolarHBondContact OG-N 2.98Å; F1068-R1070 VanDerWaalsContact C-N 3.26Å; F1068-R1070 PolarHBondContact O-N 2.96Å; F1068-N1071 PolarHBondContact O-N 3.45Å; F1068-L1072 HydrophobicContact CE1-CD1 4.02Å; F1068-L1072 HydrophobicContact CE1-CD2 4.42Å; F1068-L1072 HydrophobicContact CZ-CD1 3.86Å; F1068-L1072 WeakPolarHBondContact O-CB 3.34Å; F1068-L1072 PolarHBondContact O-N 3.24Å; F1068-L1072 VanDerWaalsContact O-N 3.11Å
1069K64.3Low55.2Low94 Ų9483.9 Ų83.941%0.40944%0.435SS..Hα-helixtrans-58-36.8174.9-73.6-158.8172.2-159.30112.6L1064 S1065 A1066 L1080 E1084L1064-K1069 HydrophobicContact CB-CD 4.45Å; L1064-K1069 HydrophobicContact CB-CG 3.94Å; L1064-K1069 HydrophobicContact CD1-CG 4.19Å; S1065-K1069 PolarHBondContact O-N 3.16Å; A1066-K1069 PolarHBondContact O-N 3.43Å; K1069-L1080 HydrophobicContact CG-CD2 4.45Å; K1069-E1084 WeakPolarHBondContact CE-OE1 3.28Å; K1069-E1084 IonicContact NZ-OE1 2.97Å; K1069-E1084 PolarHBondContact NZ-OE1 3.39Å; K1069-E1084 IonicContact NZ-OE2 2.82Å; K1069-E1084 PolarHBondContact NZ-OE2 2.9Å
1070R65Low56.6Low218 Ų21879 Ų7982%0.82341%0.409SS*.Hα-helixtrans-72.5-28.6179-154-169.984.1139.86.3113.7A1066 T1067 F1068A1066-R1070 WeakPolarHBondContact O-CB 3.37Å; A1066-R1070 PolarHBondContact O-N 3.08Å; T1067-R1070 PolarHBondContact O-N 3.01Å; F1068-R1070 VanDerWaalsContact C-N 3.26Å; F1068-R1070 PolarHBondContact O-N 2.96Å
1071N62.9Low58Low62 Ų6281.6 Ų81.633%0.33241%0.413SS..Hα-helixtrans-99.3-2.5-175-64.55000113.2T1067 F1068 P1073T1067-N1071 WeakPolarHBondContact O-CB 3.46Å; T1067-N1071 VanDerWaalsContact O-CG 3.29Å; T1067-N1071 PolarHBondContact O-N 3.1Å; T1067-N1071 PolarHBondContact O-OD1 3.48Å; F1068-N1071 PolarHBondContact O-N 3.45Å; N1071-P1073 WeakPolarHBondContact O-CD 3.42Å
1072L63.1Low59.1Low15 Ų1574.5 Ų74.58%0.07940%0.398CS..SBendtrans-73.6121.3-176-170.962.2000111.4L104 F1068 L1080L104-L1072 HydrophobicContact CD1-CD1 3.89Å; L104-L1072 HydrophobicContact CD2-CD1 4.43Å; F1068-L1072 HydrophobicContact CE1-CD1 4.02Å; F1068-L1072 HydrophobicContact CE1-CD2 4.42Å; F1068-L1072 HydrophobicContact CZ-CD1 3.86Å; F1068-L1072 WeakPolarHBondContact O-CB 3.34Å; F1068-L1072 PolarHBondContact O-N 3.24Å; F1068-L1072 VanDerWaalsContact O-N 3.11Å; L1072-L1080 HydrophobicContact CD2-CB 4.02Å; L1072-L1080 HydrophobicContact CD2-CD2 3.64Å; L1072-L1080 HydrophobicContact CD2-CG 4.49Å
1073P55.4Low59.7Low61 Ų6175.9 Ų75.940%0.39640%0.402SS..  trans-64.4149.8-175.8-20.230.7000112.5N1071 R1075 Y1076 A1077N1071-P1073 WeakPolarHBondContact O-CD 3.42Å; P1073-R1075 VanDerWaalsContact C-N 3.29Å; P1073-R1075 PolarHBondContact O-N 2.61Å; P1073-Y1076 HydrophobicContact CB-CD2 3.99Å; P1073-Y1076 HydrophobicContact CB-CE2 4.43Å; P1073-Y1076 HydrophobicContact CG-CD2 4.14Å; P1073-Y1076 PolarHBondContact O-N 2.75Å; P1073-A1077 PolarHBondContact O-N 3.46Å
1074P54.1Low60.2Low105 Ų10574.6 Ų74.668%0.68239%0.387SS*.Hα-helixtrans-55.9-31.4-165.7-30.436.4000116.7Y1076 A1077 K1078P1074-Y1076 VanDerWaalsContact C-N 3.33Å; P1074-Y1076 PolarHBondContact O-N 2.72Å; P1074-A1077 PolarHBondContact O-N 3.46Å; P1074-K1078 PolarHBondContact O-N 3.47Å
1075R46.9Very low60.6Low170 Ų17078.3 Ų78.364%0.64241%0.406SS*.Hα-helixtrans-59.9-42.6173.4-174.9-179.7-177.8-117.56.4111.6D107 P1073 L1079D107-R1075 IonicContact OD2-CZ 2.62Å; D107-R1075 IonicContact OD2-NH1 3.24Å; D107-R1075 PolarHBondContact OD2-NH1 2.82Å; P1073-R1075 VanDerWaalsContact C-N 3.29Å; P1073-R1075 PolarHBondContact O-N 2.61Å; R1075-L1079 PolarHBondContact O-N 3.16Å
1076Y50.8Low60.6Low33 Ų3381.9 Ų81.913%0.12942%0.419CS..Hα-helixtrans-84.5-26.2-178.3-52.1-81.3000112.3L104 D107 P1073 P1074 K1078 L1079 L1080L104-Y1076 HydrophobicContact CD2-CD1 3.85Å; L104-Y1076 HydrophobicContact CD2-CD2 3.34Å; L104-Y1076 HydrophobicContact CD2-CE1 3.98Å; L104-Y1076 HydrophobicContact CD2-CE2 3.48Å; L104-Y1076 VanDerWaalsContact CD2-CE2 3.48Å; L104-Y1076 HydrophobicContact CD2-CG 3.53Å; L104-Y1076 HydrophobicContact CG-CG 4.49Å; D107-Y1076 WeakPolarHBondContact CB-OH 3.3Å; D107-Y1076 PolarHBondContact OD2-OH 2.87Å; P1073-Y1076 HydrophobicContact CB-CD2 3.99Å; P1073-Y1076 HydrophobicContact CB-CE2 4.43Å; P1073-Y1076 HydrophobicContact CG-CD2 4.14Å; P1073-Y1076 PolarHBondContact O-N 2.75Å; P1074-Y1076 VanDerWaalsContact C-N 3.33Å; P1074-Y1076 PolarHBondContact O-N 2.72Å; Y1076-K1078 VanDerWaalsContact C-N 3.33Å; Y1076-L1079 HydrophobicContact CD1-CD2 4.49Å; Y1076-L1079 PolarHBondContact O-N 3.09Å; Y1076-L1080 VanDerWaalsContact O-CB 3.3Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.3Å; Y1076-L1080 PolarHBondContact O-N 3.18Å
1077A62.6Low60.3Low40 Ų4081 Ų8133%0.33140%0.4SS..Hα-helixtrans-61.2-41.2168.300000111.6P1073 P1074 Q1081P1073-A1077 PolarHBondContact O-N 3.46Å; P1074-A1077 PolarHBondContact O-N 3.46Å; A1077-Q1081 WeakPolarHBondContact O-CB 3.44Å; A1077-Q1081 PolarHBondContact O-N 3.03Å
1078K59.2Low60.3Low114 Ų11482.8 Ų82.850%0.49640%0.4SS..Hα-helixtrans-63-45.9171.1-70.7177.8177.7-178.80112.3P1074 Y1076 L1080 Q1081 A1082P1074-K1078 PolarHBondContact O-N 3.47Å; Y1076-K1078 VanDerWaalsContact C-N 3.33Å; K1078-L1080 VanDerWaalsContact C-N 3.33Å; K1078-L1080 PolarHBondContact O-N 2.78Å; K1078-Q1081 PolarHBondContact O-N 2.87Å; K1078-A1082 PolarHBondContact O-N 3.28Å
1079L55.3Low60.1Low74 Ų7487 Ų8739%0.38742%0.42SS..Hα-helixtrans-61.4-40.9177.9-177.664.9000112.2R1075 Y1076 A1082 K1083R1075-L1079 PolarHBondContact O-N 3.16Å; Y1076-L1079 HydrophobicContact CD1-CD2 4.49Å; Y1076-L1079 PolarHBondContact O-N 3.09Å; L1079-A1082 PolarHBondContact O-N 3.28Å; L1079-K1083 PolarHBondContact O-N 2.89Å; L1079-K1083 VanDerWaalsContact O-N 3.07Å
1080L62.1Low59.8Low11 Ų1184.5 Ų84.56%0.05842%0.417CS..Hα-helixtrans-61.5-49.7173.2170.560.7000111.1M96 L100 L1064 K1069 L1072 Y1076 K1078 A1082 K1083 E1084M96-L1080 HydrophobicContact CE-CD1 4.25Å; L100-L1080 HydrophobicContact CD1-CD1 4.03Å; L1064-L1080 HydrophobicContact CD1-CD1 3.44Å; L1064-L1080 VanDerWaalsContact CD1-CD1 3.44Å; L1064-L1080 HydrophobicContact CD1-CD2 3.42Å; L1064-L1080 VanDerWaalsContact CD1-CD2 3.42Å; L1064-L1080 HydrophobicContact CD1-CG 4.07Å; K1069-L1080 HydrophobicContact CG-CD2 4.45Å; L1072-L1080 HydrophobicContact CD2-CB 4.02Å; L1072-L1080 HydrophobicContact CD2-CD2 3.64Å; L1072-L1080 HydrophobicContact CD2-CG 4.49Å; Y1076-L1080 VanDerWaalsContact O-CB 3.3Å; Y1076-L1080 WeakPolarHBondContact O-CB 3.3Å; Y1076-L1080 PolarHBondContact O-N 3.18Å; K1078-L1080 VanDerWaalsContact C-N 3.33Å; K1078-L1080 PolarHBondContact O-N 2.78Å; L1080-A1082 VanDerWaalsContact C-N 3.27Å; L1080-A1082 PolarHBondContact O-N 3.46Å; L1080-K1083 PolarHBondContact O-N 3.44Å; L1080-K1083 VanDerWaalsContact O-N 3.16Å; L1080-E1084 HydrophobicContact CD1-CG 3.84Å; L1080-E1084 WeakPolarHBondContact CD1-OE1 3.48Å; L1080-E1084 HydrophobicContact CG-CG 4.37Å; L1080-E1084 PolarHBondContact O-N 2.84Å
1081Q65.6Low59.3Low133 Ų13376.3 Ų76.362%0.62139%0.389SS*.Hα-helixtrans-59.1-39.5178.8-173.3179.57.500111.9A1077 K1078 L1085A1077-Q1081 WeakPolarHBondContact O-CB 3.44Å; A1077-Q1081 PolarHBondContact O-N 3.03Å; K1078-Q1081 PolarHBondContact O-N 2.87Å; Q1081-L1085 WeakPolarHBondContact O-CB 3.12Å; Q1081-L1085 PolarHBondContact O-N 3.35Å
1082A64Low59.1Low56 Ų5681 Ų8146%0.46341%0.406SS..Hα-helixtrans-63.3-44.417500000112.2K1078 L1079 L1080 L1085 Q1086K1078-A1082 PolarHBondContact O-N 3.28Å; L1079-A1082 PolarHBondContact O-N 3.28Å; L1080-A1082 VanDerWaalsContact C-N 3.27Å; L1080-A1082 PolarHBondContact O-N 3.46Å; A1082-L1085 PolarHBondContact O-N 3.5Å; A1082-Q1086 WeakPolarHBondContact O-CB 3.22Å; A1082-Q1086 PolarHBondContact O-N 2.96Å
1083K58.1Low58.4Low80 Ų8085.1 Ų85.135%0.34843%0.429SS..Hα-helixtrans-69.5-40.4176.6-72.9-162.6170-162.70113.2M96 L1079 L1080 L1085 Q1086 E1087M96-K1083 HydrophobicContact CE-CB 3.89Å; M96-K1083 HydrophobicContact CE-CD 3.93Å; L1079-K1083 PolarHBondContact O-N 2.89Å; L1079-K1083 VanDerWaalsContact O-N 3.07Å; L1080-K1083 PolarHBondContact O-N 3.44Å; L1080-K1083 VanDerWaalsContact O-N 3.16Å; K1083-L1085 PolarHBondContact O-N 3.02Å; K1083-Q1086 PolarHBondContact O-N 2.89Å; K1083-E1087 WeakPolarHBondContact O-CB 3.3Å; K1083-E1087 PolarHBondContact O-N 2.96Å
1084E61.9Low57.8Low53 Ų5387.9 Ų87.925%0.24843%0.431CS..Hα-helixtrans-61.8-26.7173.2-76.5-173.6-17500112.6K1069 L1080 K1088K1069-E1084 WeakPolarHBondContact CE-OE1 3.28Å; K1069-E1084 IonicContact NZ-OE1 2.97Å; K1069-E1084 PolarHBondContact NZ-OE1 3.39Å; K1069-E1084 IonicContact NZ-OE2 2.82Å; K1069-E1084 PolarHBondContact NZ-OE2 2.9Å; L1080-E1084 HydrophobicContact CD1-CG 3.84Å; L1080-E1084 WeakPolarHBondContact CD1-OE1 3.48Å; L1080-E1084 HydrophobicContact CG-CG 4.37Å; L1080-E1084 PolarHBondContact O-N 2.84Å; E1084-K1088 VanDerWaalsContact O-CD 3.27Å; E1084-K1088 WeakPolarHBondContact O-CD 3.04Å; E1084-K1088 WeakPolarHBondContact O-CG 3.26Å; E1084-K1088 PolarHBondContact O-N 3.41Å
1085L67.1Low57.3Low93 Ų9389.5 Ų89.549%0.48743%0.425SS..Hα-helixtrans-80.1-50.4174.9-166.7157.4000111Q1081 A1082 K1083 E1087 K1088 E1089Q1081-L1085 WeakPolarHBondContact O-CB 3.12Å; Q1081-L1085 PolarHBondContact O-N 3.35Å; A1082-L1085 PolarHBondContact O-N 3.5Å; K1083-L1085 PolarHBondContact O-N 3.02Å; L1085-E1087 VanDerWaalsContact C-N 3.28Å; L1085-E1087 PolarHBondContact O-N 3.26Å; L1085-K1088 WeakPolarHBondContact O-CB 3.47Å; L1085-K1088 PolarHBondContact O-N 3.37Å; L1085-K1088 VanDerWaalsContact O-N 3.09Å; L1085-E1089 VanDerWaalsContact CD2-CD 3.5Å; L1085-E1089 HydrophobicContact CD2-CG 4.17Å; L1085-E1089 WeakPolarHBondContact CD2-OE1 3.38Å; L1085-E1089 PolarHBondContact O-N 2.66Å
1086Q63.7Low57Low113 Ų11385.1 Ų85.153%0.52842%0.42SS..Hα-helixtrans-57.4-39.1177.5-171.9-178.217.200112.4A1082 K1083 E1089 A1090A1082-Q1086 WeakPolarHBondContact O-CB 3.22Å; A1082-Q1086 PolarHBondContact O-N 2.96Å; K1083-Q1086 PolarHBondContact O-N 2.89Å; Q1086-E1089 PolarHBondContact O-N 3.01Å; Q1086-A1090 WeakPolarHBondContact O-CB 3.49Å; Q1086-A1090 PolarHBondContact O-N 3.32Å
1087E55.6Low56.5Low63 Ų6391.1 Ų91.129%0.29445%0.449SS..Hα-helixtrans-73-31.9178.1-166.5165.8-170.300112.3L1062 K1083 L1085 A1090 L1091L1062-E1087 WeakPolarHBondContact CD2-OE2 3.46Å; K1083-E1087 WeakPolarHBondContact O-CB 3.3Å; K1083-E1087 PolarHBondContact O-N 2.96Å; L1085-E1087 VanDerWaalsContact C-N 3.28Å; L1085-E1087 PolarHBondContact O-N 3.26Å; E1087-A1090 PolarHBondContact O-N 3.42Å; E1087-L1091 WeakPolarHBondContact O-CB 3.33Å; E1087-L1091 VanDerWaalsContact O-CG 3.3Å; E1087-L1091 WeakPolarHBondContact O-CG 3.46Å; E1087-L1091 PolarHBondContact O-N 2.98Å
1088K62.7Low55.1Low132 Ų13296.3 Ų96.357%0.57447%0.467SS*.Hα-helixtrans-65.6-38.8169.6-78.4169.2-175.1166.90112.1E1084 L1085 L1091 K1092E1084-K1088 VanDerWaalsContact O-CD 3.27Å; E1084-K1088 WeakPolarHBondContact O-CD 3.04Å; E1084-K1088 WeakPolarHBondContact O-CG 3.26Å; E1084-K1088 PolarHBondContact O-N 3.41Å; L1085-K1088 WeakPolarHBondContact O-CB 3.47Å; L1085-K1088 PolarHBondContact O-N 3.37Å; L1085-K1088 VanDerWaalsContact O-N 3.09Å; K1088-L1091 PolarHBondContact O-N 3.22Å; K1088-K1092 WeakPolarHBondContact O-CB 3.48Å; K1088-K1092 PolarHBondContact O-N 3.42Å
1089E62.4Low53.8Low108 Ų10897 Ų9751%0.50548%0.481SS..Hα-helixtrans-65.9-46173.9-68.6176154.700111.1L1085 Q1086 L1091 K1092 N1093L1085-E1089 VanDerWaalsContact CD2-CD 3.5Å; L1085-E1089 HydrophobicContact CD2-CG 4.17Å; L1085-E1089 WeakPolarHBondContact CD2-OE1 3.38Å; L1085-E1089 PolarHBondContact O-N 2.66Å; Q1086-E1089 PolarHBondContact O-N 3.01Å; E1089-L1091 VanDerWaalsContact C-N 3.26Å; E1089-L1091 PolarHBondContact O-N 3.17Å; E1089-K1092 PolarHBondContact O-N 3.25Å; E1089-K1092 VanDerWaalsContact O-N 3.17Å; E1089-N1093 WeakPolarHBondContact O-CB 3.35Å; E1089-N1093 VanDerWaalsContact O-CG 3.3Å; E1089-N1093 PolarHBondContact O-N 3.12Å; E1089-N1093 PolarHBondContact O-OD1 3.21Å
1090A57.3Low52.6Low40 Ų40102.7 Ų102.733%0.33151%0.505SS..Hα-helixtrans-66.3-21.517600000114.4Q1086 E1087 R1094Q1086-A1090 WeakPolarHBondContact O-CB 3.49Å; Q1086-A1090 PolarHBondContact O-N 3.32Å; E1087-A1090 PolarHBondContact O-N 3.42Å; A1090-R1094 WeakPolarHBondContact O-CG 3.24Å; A1090-R1094 PolarHBondContact O-NE 3.16Å
1091L54.8Low50.9Low46 Ų46109.3 Ų109.324%0.24154%0.541CS..Hα-helixtrans-79.5-47.6167.9-77.6164.3000111.2E1087 K1088 E1089 N1093 R1094 Y1095E1087-L1091 WeakPolarHBondContact O-CB 3.33Å; E1087-L1091 VanDerWaalsContact O-CG 3.3Å; E1087-L1091 WeakPolarHBondContact O-CG 3.46Å; E1087-L1091 PolarHBondContact O-N 2.98Å; K1088-L1091 PolarHBondContact O-N 3.22Å; E1089-L1091 VanDerWaalsContact C-N 3.26Å; E1089-L1091 PolarHBondContact O-N 3.17Å; L1091-N1093 VanDerWaalsContact C-N 3.3Å; L1091-N1093 PolarHBondContact O-N 3.45Å; L1091-R1094 PolarHBondContact O-N 2.87Å; L1091-Y1095 VanDerWaalsContact O-CD2 3.23Å; L1091-Y1095 WeakPolarHBondContact O-CD2 3.46Å; L1091-Y1095 PolarHBondContact O-N 3.13Å; L1091-Y1095 VanDerWaalsContact O-N 3.13Å
1092K57.6Low49.1Very low160 Ų160112.3 Ų112.370%0.69656%0.555SS**Hα-helixtrans-58-42179.8-166.4178.1-177.3-174.40112K1088 E1089 R1094 Y1095 S1096K1088-K1092 WeakPolarHBondContact O-CB 3.48Å; K1088-K1092 PolarHBondContact O-N 3.42Å; E1089-K1092 PolarHBondContact O-N 3.25Å; E1089-K1092 VanDerWaalsContact O-N 3.17Å; K1092-R1094 VanDerWaalsContact C-N 3.3Å; K1092-R1094 PolarHBondContact O-N 2.88Å; K1092-Y1095 PolarHBondContact O-N 3.2Å; K1092-S1096 PolarHBondContact O-N 2.96Å
1093N48.6Very low47.2Very low102 Ų102117 Ų11755%0.54557%0.571SS.*Hα-helixtrans-70.2-23.3176.9-65.61.1000113.1E1089 L1091 S1096 H1097E1089-N1093 WeakPolarHBondContact O-CB 3.35Å; E1089-N1093 VanDerWaalsContact O-CG 3.3Å; E1089-N1093 PolarHBondContact O-N 3.12Å; E1089-N1093 PolarHBondContact O-OD1 3.21Å; L1091-N1093 VanDerWaalsContact C-N 3.3Å; L1091-N1093 PolarHBondContact O-N 3.45Å; N1093-S1096 WeakPolarHBondContact CA-OG 3.38Å; N1093-S1096 PolarHBondContact O-OG 3.23Å; N1093-S1096 VanDerWaalsContact O-OG 3.07Å; N1093-H1097 PolarHBondContact O-CD2 3.37Å
1094R43.4Very low45.6Very low119 Ų119119 Ų11945%0.44960%0.595SS.*Hα-helixtrans-77.3-34.6173-83.4-174.6-84.2-167.7-1.9112.2A1090 L1091 K1092 D1135A1090-R1094 WeakPolarHBondContact O-CG 3.24Å; A1090-R1094 PolarHBondContact O-NE 3.16Å; L1091-R1094 PolarHBondContact O-N 2.87Å; K1092-R1094 VanDerWaalsContact C-N 3.3Å; K1092-R1094 PolarHBondContact O-N 2.88Å; R1094-D1135 IonicContact NH1-OD2 3.6Å
1095Y43.4Very low43.9Very low139 Ų139122 Ų12255%0.54562%0.622SS.*Hα-helixtrans-73.8-21.5175.3-72-66.9000114L1091 K1092 H1097L1091-Y1095 VanDerWaalsContact O-CD2 3.23Å; L1091-Y1095 WeakPolarHBondContact O-CD2 3.46Å; L1091-Y1095 PolarHBondContact O-N 3.13Å; L1091-Y1095 VanDerWaalsContact O-N 3.13Å; K1092-Y1095 PolarHBondContact O-N 3.2Å; Y1095-H1097 VanDerWaalsContact C-N 3.35Å; Y1095-H1097 PolarHBondContact O-N 3.34Å
1096S40.8Very low41.8Very low78 Ų78122.8 Ų122.855%0.54564%0.635SS.*THydrogen-bonded Turntrans-81.2-4.9178.557.50000115.4K1092 N1093K1092-S1096 PolarHBondContact O-N 2.96Å; N1093-S1096 WeakPolarHBondContact CA-OG 3.38Å; N1093-S1096 PolarHBondContact O-OG 3.23Å; N1093-S1096 VanDerWaalsContact O-OG 3.07Å
1097H40.4Very low39.9Very low159 Ų159125.8 Ų125.874%0.73665%0.653SS**THydrogen-bonded Turntrans-120.17.6-176.3-75.4-65.7000115N1093 Y1095 T1099N1093-H1097 PolarHBondContact O-CD2 3.37Å; Y1095-H1097 VanDerWaalsContact C-N 3.35Å; Y1095-H1097 PolarHBondContact O-N 3.34Å; H1097-T1099 VanDerWaalsContact C-N 3.25Å; H1097-T1099 PolarHBondContact O-N 3.46Å
1098Q33.7Very low38.4Very low150 Ų150129.6 Ų129.670%0.70167%0.674SS**  trans-82.656.1-179.6-72.2-171.4-43.300114
1099T31.4Very low36.5Very low129 Ų129129 Ų12979%0.79168%0.684SS**  trans-142.454.3168.954.30000113.4H1097H1097-T1099 VanDerWaalsContact C-N 3.25Å; H1097-T1099 PolarHBondContact O-N 3.46Å
1100Q30.8Very low34.7Very low192 Ų192131.9 Ų131.990%0.89770%0.702SS**SBendtrans-161.2158.1149.8-113158.80.100111.4
1101N26.7Very low33.2Very low151 Ų151134.3 Ų134.381%0.80771%0.71SS**  trans-87.6136.6-171.8-58.2-49.2000111.5
1102E27.3Very low31.8Very low196 Ų196140.8 Ų140.892%0.91674%0.736SS**  trans-157.4107.7141.2-118.7164.3-140.400110.6
1103L24.5Very low30.4Very low155 Ų155136.7 Ų136.781%0.81273%0.725SS**  trans-96.2154.4162.9-8483.4000108.6
1104S23.8Very low29.4Very low121 Ų121133.3 Ų133.385%0.84671%0.712SS**  trans90.378164.9-37.70000117.1
1105S25.4Very low28.5Very low116 Ų116131.4 Ų131.481%0.81172%0.715SS**  trans-139.592.7153.348.40000112.3
1106S24.4Very low27.8Very low109 Ų109127 Ų12776%0.76270%0.7SS**  trans28.8102.5146.5-52.60000119.2L1108S1106-L1108 PolarHBondContact O-N 3.21Å; S1106-L1108 VanDerWaalsContact O-N 3.11Å
1107I23.5Very low27.2Very low176 Ų176124.9 Ų124.990%0.90369%0.688SS**  trans-65.2107.5159.5-60.1171.1000108.4
1108L23Very low26.7Very low143 Ų143124.6 Ų124.675%0.74968%0.68SS**PPolyproline II helixtrans-89.8139165.7-84.2164.1000109.7S1106 L1110S1106-L1108 PolarHBondContact O-N 3.21Å; S1106-L1108 VanDerWaalsContact O-N 3.11Å; L1108-L1110 PolarHBondContact O-N 3.22Å
1109P24Very low26.8Very low119 Ų119126 Ų12677%0.77368%0.684SS**PPolyproline II helixtrans-63.7135.4-179.7-21.233.1000112.1D1111P1109-D1111 PolarHBondContact O-N 3.04Å
1110L23.9Very low27Very low169 Ų169123.6 Ų123.689%0.88566%0.664SS**PPolyproline II helixtrans-72120.9165.6-100.469.5000109.3L1108L1108-L1110 PolarHBondContact O-N 3.22Å
1111D26.4Very low27.1Very low92 Ų92115 Ų11549%0.49263%0.625SS.*PPolyproline II helixtrans-63.5137.8175.9-126.2-22.5000111P1109 P1113P1109-D1111 PolarHBondContact O-N 3.04Å; D1111-P1113 WeakPolarHBondContact O-CD 3.17Å
1112K25.6Very low27.2Very low182 Ų182112.2 Ų112.279%0.79161%0.607SS**PPolyproline II helixtrans-74.1122.6-176.8-66.4169.8-174.81640110A1114K1112-A1114 PolarHBondContact O-N 3.39Å
1113P27.1Very low27.4Very low73 Ų73103.8 Ų103.847%0.47457%0.571SS.*PPolyproline II helixtrans-63.7131.6164.926.6-31.9000109.5D1111D1111-P1113 WeakPolarHBondContact O-CD 3.17Å
1114A27.2Very low27.6Very low32 Ų3297.6 Ų97.626%0.26454%0.54SS..PPolyproline II helixtrans-54.9149.2-175.200000112.8R384 K1112 L1116R384-A1114 VanDerWaalsContact NH2-CB 3.34Å; K1112-A1114 PolarHBondContact O-N 3.39Å; A1114-L1116 HydrophobicContact CB-CD1 3.92Å; A1114-L1116 HydrophobicContact CB-CG 4.08Å; A1114-L1116 PolarHBondContact O-N 2.98Å
1115P24.8Very low28.2Very low79 Ų7995 Ų9551%0.51352%0.519SS..SBendtrans-79.642.9-165.735.1-39.4000114.7
1116L28.2Very low28.6Very low45 Ų4594.3 Ų94.324%0.23651%0.506CS..THydrogen-bonded Turntrans-118.961.7-154.3-59.3179.7000115N345 A1114N345-L1116 HydrophobicContact CB-CD1 3.66Å; N345-L1116 HydrophobicContact CB-CD2 3.42Å; N345-L1116 VanDerWaalsContact CB-CD2 3.42Å; N345-L1116 HydrophobicContact CB-CG 4.04Å; A1114-L1116 HydrophobicContact CB-CD1 3.92Å; A1114-L1116 HydrophobicContact CB-CG 4.08Å; A1114-L1116 PolarHBondContact O-N 2.98Å
1117A28.7Very low29Very low34 Ų3489.2 Ų89.228%0.28147%0.47SS..THydrogen-bonded Turntrans-170.115.5155.400000112.2K1119A1117-K1119 VanDerWaalsContact C-N 3.34Å; A1117-K1119 PolarHBondContact O-N 3.25Å
1118R29.9Very low29.5Very low154 Ų15486.3 Ų86.358%0.58146%0.455SS*.THydrogen-bonded Turntrans-82.551.7-147.1-66.5-167.1175163.12.1116.6E1122R1118-E1122 VanDerWaalsContact CA-OE1 3.26Å; R1118-E1122 WeakPolarHBondContact CA-OE1 3.45Å; R1118-E1122 VanDerWaalsContact CB-OE1 3.32Å; R1118-E1122 WeakPolarHBondContact CB-OE1 3.46Å; R1118-E1122 VanDerWaalsContact CG-OE1 3.31Å; R1118-E1122 WeakPolarHBondContact CG-OE1 3.12Å
1119K35.9Very low29.9Very low180 Ų18084.4 Ų84.478%0.78345%0.453SS*.THydrogen-bonded Turntrans-161.7-24.7168.3-119.2166.6-174.5-179.90117.9A1117A1117-K1119 VanDerWaalsContact C-N 3.34Å; A1117-K1119 PolarHBondContact O-N 3.25Å
1120E35.1Very low30.3Very low77 Ų7778.8 Ų78.836%0.3642%0.417SS..THydrogen-bonded Turntrans-117.3-11.4-164.8-71173.5-14600115.3A338A338-E1120 WeakPolarHBondContact CB-OE2 3.46Å
1121S34Very low30.7Very low11 Ų1173.2 Ų73.28%0.07739%0.387CS..SBendtrans-154.125.7-177.858.60000114.5I307 A1123I307-S1121 WeakPolarHBondContact CD1-OG 3.47Å; S1121-A1123 PolarHBondContact O-N 3.3Å
1122E29.5Very low31Very low93 Ų9371.6 Ų71.644%0.43538%0.383SS..  trans-61.2104.6-171.9-67.8-163.311900113.4R1118R1118-E1122 VanDerWaalsContact CA-OE1 3.26Å; R1118-E1122 WeakPolarHBondContact CA-OE1 3.45Å; R1118-E1122 VanDerWaalsContact CB-OE1 3.32Å; R1118-E1122 WeakPolarHBondContact CB-OE1 3.46Å; R1118-E1122 VanDerWaalsContact CG-OE1 3.31Å; R1118-E1122 WeakPolarHBondContact CG-OE1 3.12Å
1123A29.6Very low31.4Very low19 Ų1966 Ų6616%0.15737%0.367CS..  trans-99.3106.9145.200000106.3R276 Y277 S1121 T1125R276-A1123 HydrophobicContact CG-CB 4.36Å; Y277-A1123 HydrophobicContact CD1-CB 3.71Å; Y277-A1123 HydrophobicContact CE1-CB 3.75Å; S1121-A1123 PolarHBondContact O-N 3.3Å; A1123-T1125 PolarHBondContact O-N 3.44Å
1124P29.9Very low31.7Very low25 Ų2564.9 Ų64.916%0.16236%0.361CS..  trans-64.1130.2-176.124.4-32.4000110.5D1126 L1127P1124-D1126 PolarHBondContact O-N 3.44Å; P1124-D1126 VanDerWaalsContact O-N 3.09Å; P1124-L1127 HydrophobicContact CG-CD1 4.01Å; P1124-L1127 HydrophobicContact CG-CG 4.34Å; P1124-L1127 WeakPolarHBondContact O-CB 3.48Å; P1124-L1127 PolarHBondContact O-N 3.42Å
1125T36.1Very low31.8Very low66 Ų6670.6 Ų70.641%0.40539%0.387SS..G310 helixtrans-63.7-19.2-174.5-33.70000112.8A1123 L1127 I1128A1123-T1125 PolarHBondContact O-N 3.44Å; T1125-L1127 PolarHBondContact O-N 3.31Å; T1125-I1128 HydrophobicContact CG2-CD1 4.5Å; T1125-I1128 PolarHBondContact O-N 3.31Å
1126D34.6Very low32.1Very low102 Ų10269.6 Ų69.655%0.54538%0.379SS..G310 helixtrans-61-11.4172.5-48.9-49.6000113.2P1124 I1128 C1129P1124-D1126 PolarHBondContact O-N 3.44Å; P1124-D1126 VanDerWaalsContact O-N 3.09Å; D1126-I1128 PolarHBondContact O-N 3.45Å; D1126-I1128 VanDerWaalsContact O-N 3.09Å; D1126-C1129 PolarHBondContact O-N 3.48Å
1127L32.1Very low32.2Very low2 Ų272.1 Ų72.11%0.0139%0.393CS..G310 helixtrans-59.9-17.2176.6-87.9159.4000114.7L78 P1124 T1125 C1129 L1130 L1131L78-L1127 HydrophobicContact CD2-CD2 4.28Å; P1124-L1127 HydrophobicContact CG-CD1 4.01Å; P1124-L1127 HydrophobicContact CG-CG 4.34Å; P1124-L1127 WeakPolarHBondContact O-CB 3.48Å; P1124-L1127 PolarHBondContact O-N 3.42Å; T1125-L1127 PolarHBondContact O-N 3.31Å; L1127-C1129 VanDerWaalsContact C-N 3.32Å; L1127-C1129 PolarHBondContact O-N 3.34Å; L1127-L1130 HydrophobicContact CD2-CB 3.89Å; L1127-L1130 HydrophobicContact CD2-CD1 3.85Å; L1127-L1130 HydrophobicContact CG-CD1 4.14Å; L1127-L1130 WeakPolarHBondContact O-CB 3.49Å; L1127-L1130 PolarHBondContact O-N 3.12Å; L1127-L1131 HydrophobicContact CD2-CD1 4.44Å; L1127-L1131 HydrophobicContact CD2-CG 4.41Å; L1127-L1131 PolarHBondContact O-N 3.3Å
1128I33.5Very low32.3Very low115 Ų11575.5 Ų75.559%0.5941%0.412SS*.Hα-helixtrans-58.9-42.2175.6-64171.2000111.2T1125 D1126 L1130T1125-I1128 HydrophobicContact CG2-CD1 4.5Å; T1125-I1128 PolarHBondContact O-N 3.31Å; D1126-I1128 PolarHBondContact O-N 3.45Å; D1126-I1128 VanDerWaalsContact O-N 3.09Å; I1128-L1130 VanDerWaalsContact C-N 3.3Å
1129C31.2Very low32.5Very low103 Ų10373.2 Ų73.270%0.69642%0.415SS*.Hα-helixtrans-79.5-11.2175.1-64.30000113.4D1126 L1127D1126-C1129 PolarHBondContact O-N 3.48Å; L1127-C1129 VanDerWaalsContact C-N 3.32Å; L1127-C1129 PolarHBondContact O-N 3.34Å
1130L34Very low32.3Very low2 Ų267.9 Ų67.91%0.0140%0.398CS..Hα-helixtrans-94.7-30.1-173.1-81.6166.3000114.4L78 N79 L82 K99 L1127 I1128L78-L1130 HydrophobicContact CD1-CD2 4.24Å; L78-L1130 HydrophobicContact CD2-CB 4.26Å; L78-L1130 HydrophobicContact CD2-CD1 3.9Å; L78-L1130 HydrophobicContact CD2-CD2 3.83Å; L78-L1130 HydrophobicContact CD2-CG 4.23Å; L78-L1130 HydrophobicContact CG-CD1 4.23Å; L78-L1130 HydrophobicContact CG-CD2 3.62Å; L78-L1130 HydrophobicContact CG-CG 4.47Å; N79-L1130 WeakPolarHBondContact OD1-CD1 3.34Å; L82-L1130 HydrophobicContact CD1-CD1 4.13Å; L82-L1130 HydrophobicContact CD1-CD2 3.3Å; L82-L1130 HydrophobicContact CD1-CG 3.5Å; L82-L1130 VanDerWaalsContact CD1-CG 3.5Å; L82-L1130 HydrophobicContact CD2-CD2 4.2Å; L82-L1130 HydrophobicContact CG-CD2 3.53Å; L82-L1130 HydrophobicContact CG-CG 4.28Å; K99-L1130 VanDerWaalsContact CD-O 3.29Å; K99-L1130 WeakPolarHBondContact CD-O 3.29Å; K99-L1130 WeakPolarHBondContact CE-O 3.4Å; K99-L1130 PolarHBondContact NZ-O 3.37Å; L1127-L1130 HydrophobicContact CD2-CB 3.89Å; L1127-L1130 HydrophobicContact CD2-CD1 3.85Å; L1127-L1130 HydrophobicContact CG-CD1 4.14Å; L1127-L1130 WeakPolarHBondContact O-CB 3.49Å; L1127-L1130 PolarHBondContact O-N 3.12Å; I1128-L1130 VanDerWaalsContact C-N 3.3Å
1131L32Very low32.1Very low51 Ų5168.7 Ų68.727%0.26740%0.404SS..Hα-helixtrans-104.7-20.3-179.7-66.9177.1000113.7K99 Q279 L1127K99-L1131 HydrophobicContact CB-CD2 4.37Å; K99-L1131 HydrophobicContact CD-CD2 4.38Å; K99-L1131 HydrophobicContact CG-CD2 4.12Å; Q279-L1131 HydrophobicContact CG-CD1 3.87Å; L1127-L1131 HydrophobicContact CD2-CD1 4.44Å; L1127-L1131 HydrophobicContact CD2-CG 4.41Å; L1127-L1131 PolarHBondContact O-N 3.3Å
1132S32.9Very low32Very low59 Ų5974.3 Ų74.341%0.41343%0.429SS..  trans-69.1144.1161.9-169.80000110.7S1134S1132-S1134 PolarHBondContact OG-OG 3.1Å
1133S32.4Very low32.2Very low65 Ų6575.2 Ų75.246%0.45543%0.433SS..  trans-116.528.9177.8580000112
1134S33.7Very low32.4Very low49 Ų4978.6 Ų78.634%0.34345%0.448SS..  trans-139.9107.6-174.659.60000111.3S1132 V1136S1132-S1134 PolarHBondContact OG-OG 3.1Å; S1134-V1136 PolarHBondContact O-N 2.99Å
1135D30.5Very low32.6Very low151 Ų15183.3 Ų83.381%0.80747%0.467SS*.  trans-7059.7163.6-52.5-67.1000109.9R1094R1094-D1135 IonicContact NH1-OD2 3.6Å
1136V30.2Very low32.7Very low58 Ų5884.4 Ų84.435%0.35247%0.468SS..  trans-119.2114.3-172.7177.70000108.3S1134 V1140 L1141S1134-V1136 PolarHBondContact O-N 2.99Å; V1136-V1140 HydrophobicContact CG1-CB 3.8Å; V1136-V1140 HydrophobicContact CG1-CG1 3.98Å; V1136-L1141 HydrophobicContact CG1-CG 3.89Å
1137N30.1Very low32.8Very low99 Ų9985.5 Ų85.553%0.52947%0.47SS..  trans-45.7128.1172176.8-14.3000109.4V1139 V1140N1137-V1139 PolarHBondContact O-N 3.48Å; N1137-V1139 PolarHBondContact OD1-N 3.39Å; N1137-V1140 HydrophobicContact CB-CG2 4.25Å; N1137-V1140 PolarHBondContact O-N 3.47Å
1138P31Very low32.9Very low105 Ų10592.2 Ų92.268%0.68250%0.501SS*.Hα-helixtrans-55.3-25-172.519.1-32.8000114.3V1140P1138-V1140 VanDerWaalsContact C-N 3.33Å; P1138-V1140 PolarHBondContact O-N 3.02Å
1139V33.6Very low33.1Very low105 Ų10591 Ų9164%0.63650%0.495SS*.Hα-helixtrans-63.3-34.7174.2-176.70000112.6N1137N1137-V1139 PolarHBondContact O-N 3.48Å; N1137-V1139 PolarHBondContact OD1-N 3.39Å
1140V33.2Very low33.2Very low69 Ų6994.4 Ų94.442%0.41850%0.5SS..Hα-helixtrans-78.8-29.5-173.4177.80000112.3V1136 N1137 P1138 Q1142 H1143 L1144V1136-V1140 HydrophobicContact CG1-CB 3.8Å; V1136-V1140 HydrophobicContact CG1-CG1 3.98Å; N1137-V1140 HydrophobicContact CB-CG2 4.25Å; N1137-V1140 PolarHBondContact O-N 3.47Å; P1138-V1140 VanDerWaalsContact C-N 3.33Å; P1138-V1140 PolarHBondContact O-N 3.02Å; V1140-Q1142 VanDerWaalsContact C-N 3.28Å; V1140-Q1142 PolarHBondContact O-N 3.43Å; V1140-H1143 PolarHBondContact O-N 3.22Å; V1140-L1144 HydrophobicContact CG1-CD1 4.33Å; V1140-L1144 PolarHBondContact O-N 3.05Å
1141L30.4Very low33.1Very low93 Ų93102.2 Ų102.249%0.48754%0.537SS..Hα-helixtrans-65.2-31.5175.9-87.3167.6000112.6V1136 H1145V1136-L1141 HydrophobicContact CG1-CG 3.89Å; L1141-H1145 WeakPolarHBondContact O-CB 3.43Å; L1141-H1145 PolarHBondContact O-N 2.99Å; L1141-H1145 VanDerWaalsContact O-N 3.14Å
1142Q32.4Very low33Very low130 Ų130110.9 Ų110.961%0.60757%0.566SS**Hα-helixtrans-64.7-47.1177.8-170.1165.4-13.700111.1V1140 H1145 E1146V1140-Q1142 VanDerWaalsContact C-N 3.28Å; V1140-Q1142 PolarHBondContact O-N 3.43Å; Q1142-H1145 PolarHBondContact O-N 3.03Å; Q1142-E1146 WeakPolarHBondContact O-CG 3.39Å; Q1142-E1146 PolarHBondContact O-N 2.99Å
1143H33.4Very low32.7Very low112 Ų112113.8 Ų113.852%0.51958%0.583SS.*Hα-helixtrans-70.3-35.7-177.4-147.652.6000113.5V1140 E1146 Q1147V1140-H1143 PolarHBondContact O-N 3.22Å; H1143-E1146 IonicContact ND1-OE2 2.71Å; H1143-Q1147 PolarHBondContact O-N 3.38Å
1144L33.7Very low32.4Very low90 Ų90119.4 Ų119.447%0.47160%0.602SS.*Hα-helixtrans-70.2-31.2173.9-89.3166.7000113.1V1140 H1148V1140-L1144 HydrophobicContact CG1-CD1 4.33Å; V1140-L1144 PolarHBondContact O-N 3.05Å; L1144-H1148 PolarHBondContact O-N 3.2Å
1145H34.7Very low32.1Very low124 Ų124127.9 Ų127.957%0.57463%0.627SS**Hα-helixtrans-69.5-39.5176-165.882.3000111.5L1141 Q1142 H1148 I1149L1141-H1145 WeakPolarHBondContact O-CB 3.43Å; L1141-H1145 PolarHBondContact O-N 2.99Å; L1141-H1145 VanDerWaalsContact O-N 3.14Å; Q1142-H1145 PolarHBondContact O-N 3.03Å; H1145-H1148 PolarHBondContact O-N 2.87Å; H1145-I1149 WeakPolarHBondContact O-CG1 3.45Å; H1145-I1149 PolarHBondContact O-N 3.35Å
1146E36.9Very low31.9Very low88 Ų88133.5 Ų133.541%0.41165%0.645SS.*Hα-helixtrans-62.9-44.2177-72.8165.7176.700112.3Q1142 H1143 H1148 I1149Q1142-E1146 WeakPolarHBondContact O-CG 3.39Å; Q1142-E1146 PolarHBondContact O-N 2.99Å; H1143-E1146 IonicContact ND1-OE2 2.71Å; E1146-H1148 PolarHBondContact O-N 3.38Å; E1146-I1149 PolarHBondContact O-N 3.3Å
1147Q36.6Very low32Very low126 Ų126137.3 Ų137.359%0.58966%0.659SS**Hα-helixtrans-66.7-37177.6-68.7-168.60.500113H1143 I1149 Q1150H1143-Q1147 PolarHBondContact O-N 3.38Å; Q1147-I1149 PolarHBondContact O-N 3.36Å; Q1147-Q1150 PolarHBondContact O-N 2.95Å
1148H35.7Very low32.1Very low142 Ų142139.3 Ų139.366%0.65767%0.666SS**Hα-helixtrans-70-16.9178.8-99.4-64.9000114.6L1144 H1145 E1146 Q1150L1144-H1148 PolarHBondContact O-N 3.2Å; H1145-H1148 PolarHBondContact O-N 2.87Å; E1146-H1148 PolarHBondContact O-N 3.38Å; H1148-Q1150 VanDerWaalsContact C-N 3.31Å
1149I37.7Very low32.2Very low91 Ų91141.2 Ų141.247%0.46767%0.665SS.*Hα-helixtrans-73-23.3176.7-73.8166.7000112.1H1145 E1146 Q1147H1145-I1149 WeakPolarHBondContact O-CG1 3.45Å; H1145-I1149 PolarHBondContact O-N 3.35Å; E1146-I1149 PolarHBondContact O-N 3.3Å; Q1147-I1149 PolarHBondContact O-N 3.36Å
1150Q32.8Very low32.1Very low174 Ų174143.4 Ų143.481%0.81367%0.667SS**THydrogen-bonded Turntrans-82.4-8.1-178.7-65.3-170.2-5.700114.7Q1147 H1148Q1147-Q1150 PolarHBondContact O-N 2.95Å; H1148-Q1150 VanDerWaalsContact C-N 3.31Å
1151Q32Very low32Very low165 Ų165148 Ų14877%0.77168%0.683SS**  trans-133.787.4-178.5-65.2-168.115.900113.4
1152R29.5Very low32.1Very low234 Ų234151.7 Ų151.788%0.88370%0.696SS**  trans-153141.8152.2-112.7175.3-158.8-157.25.8112.5
1153P27.5Very low32.1Very low120 Ų120153.2 Ų153.278%0.77970%0.702SS**  trans-73.3157.1176.4-14.330.2000113
1154Q24.9Very low32Very low183 Ų183156.4 Ų156.486%0.85572%0.716SS**  trans-62.5136.9159.8-59.2167.5-29.200110
1155W27.2Very low31.9Very low226 Ų226161.9 Ų161.986%0.85674%0.737SS**  trans-171.8111.2144.1-86.4110.1000108.8
1156F27.2Very low31.6Very low270 Ų270165.4 Ų165.4100%1.18475%0.751SS**  trans45.50172.6-65.3-70.4000118.1

Retrieved 1,156 of 1,156 residues in 248.7 ms (Link to these results)

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