A0A5K4F557_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F557, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 581 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
1M78.3Confident90.4Very high104 Ų10451.1 Ų51.151%0.51230%0.298SS..  0-47.70-71.6-83.5-86.100112.8L3 H4 F5M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.03Å; M1-H4 WeakPolarHBondContact CA-ND1 3.41Å; M1-H4 PolarHBondContact N-ND1 3.21Å; M1-H4 WeakPolarHBondContact O-CB 3.45Å; M1-H4 PolarHBondContact O-N 2.84Å; M1-H4 VanDerWaalsContact O-N 3.08Å; M1-F5 HydrophobicContact CB-CE2 4.15Å; M1-F5 HydrophobicContact CE-CE2 4.16Å; M1-F5 HydrophobicContact CE-CZ 4.04Å; M1-F5 VanDerWaalsContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CD2 3.44Å; M1-F5 PolarHBondContact O-N 2.87Å; M1-F5 VanDerWaalsContact O-N 3.16Å
2P89.6Confident90.7Very high94 Ų9454.8 Ų54.861%0.6130%0.303SS*.Hα-helixtrans-54.7-42.3178.9-27.936000114.1H4 F5 A6P2-H4 VanDerWaalsContact C-N 3.34Å; P2-H4 PolarHBondContact O-N 3.44Å; P2-F5 PolarHBondContact O-N 2.86Å; P2-A6 PolarHBondContact O-N 3.02Å
3L92.7Very high91.1Very high8 Ų857.2 Ų57.24%0.04231%0.31CS..Hα-helixtrans-61.4-38.5176.9-172.766.3000113M1 A6 A7 V15 C18 I19 L22 V34 A44 L60M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.03Å; L3-A6 WeakPolarHBondContact O-CB 3.47Å; L3-A6 PolarHBondContact O-N 2.77Å; L3-A7 PolarHBondContact O-N 3.39Å; L3-V15 HydrophobicContact CD1-CG1 4.19Å; L3-C18 HydrophobicContact CB-CB 4.39Å; L3-C18 HydrophobicContact CD1-CB 3.64Å; L3-I19 HydrophobicContact CD1-CG1 4.02Å; L3-L22 HydrophobicContact CD2-CD1 4.11Å; L3-V34 HydrophobicContact CD2-CB 4.33Å; L3-V34 HydrophobicContact CD2-CG2 3.94Å; L3-A44 HydrophobicContact CD2-CB 3.86Å; L3-A44 HydrophobicContact CG-CB 3.74Å; L3-L60 HydrophobicContact CD1-CD2 4.05Å; L3-L60 HydrophobicContact CD2-CD2 3.96Å; L3-L60 HydrophobicContact CG-CD2 4.21Å
4H91.5Very high91.4Very high5 Ų556.9 Ų56.92%0.02331%0.314CS..Hα-helixtrans-63.6-44.5174.9-56.594.8000111.4M1 P2 A6 A7 M8 R36 I47M1-H4 WeakPolarHBondContact CA-ND1 3.41Å; M1-H4 PolarHBondContact N-ND1 3.21Å; M1-H4 WeakPolarHBondContact O-CB 3.45Å; M1-H4 PolarHBondContact O-N 2.84Å; M1-H4 VanDerWaalsContact O-N 3.08Å; P2-H4 VanDerWaalsContact C-N 3.34Å; P2-H4 PolarHBondContact O-N 3.44Å; H4-A6 VanDerWaalsContact C-N 3.33Å; H4-A7 PolarHBondContact O-N 3.07Å; H4-M8 WeakPolarHBondContact O-CB 3.32Å; H4-M8 VanDerWaalsContact O-CG 3.24Å; H4-M8 WeakPolarHBondContact O-CG 3.21Å; H4-M8 PolarHBondContact O-N 2.66Å; H4-R36 PolarHBondContact CE1-O 3.48Å; H4-R36 VanDerWaalsContact CE1-O 3.3Å; H4-R36 PolarHBondContact NE2-O 3.41Å; H4-I47 HydrophobicContact CB-CD1 4.04Å
5F92.8Very high91.7Very high117 Ų11753.1 Ų53.151%0.51329%0.293SS..Hα-helixtrans-65.4-37.9176.9-66.8-57.3000112.1M1 P2 M8 S9M1-F5 HydrophobicContact CB-CE2 4.15Å; M1-F5 HydrophobicContact CE-CE2 4.16Å; M1-F5 HydrophobicContact CE-CZ 4.04Å; M1-F5 VanDerWaalsContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CD2 3.44Å; M1-F5 PolarHBondContact O-N 2.87Å; M1-F5 VanDerWaalsContact O-N 3.16Å; P2-F5 PolarHBondContact O-N 2.86Å; F5-M8 HydrophobicContact CD1-SD 4.2Å; F5-M8 PolarHBondContact O-N 3.18Å; F5-S9 PolarHBondContact O-N 3.29Å
6A93.7Very high91.9Very high7 Ų756.3 Ų56.36%0.05830%0.303CS..Hα-helixtrans-59.6-49.3172.500000111.2P2 L3 H4 M8 S9 C14 V15P2-A6 PolarHBondContact O-N 3.02Å; L3-A6 WeakPolarHBondContact O-CB 3.47Å; L3-A6 PolarHBondContact O-N 2.77Å; H4-A6 VanDerWaalsContact C-N 3.33Å; A6-M8 PolarHBondContact O-N 3.11Å; A6-S9 WeakPolarHBondContact O-CB 3.47Å; A6-S9 PolarHBondContact O-N 3.18Å; A6-S9 PolarHBondContact O-OG 2.85Å; A6-C14 HydrophobicContact CB-CB 3.78Å; A6-V15 HydrophobicContact CB-CG2 3.85Å
7A92.2Very high92.1Very high0 Ų059.9 Ų59.90%032%0.321CS..Hα-helixtrans-62.5-39.9175.600000112.4L3 H4 S9 G10 V15 A44 I47L3-A7 PolarHBondContact O-N 3.39Å; H4-A7 PolarHBondContact O-N 3.07Å; A7-S9 PolarHBondContact O-N 3.49Å; A7-G10 PolarHBondContact O-N 3.07Å; A7-G10 VanDerWaalsContact O-N 3.1Å; A7-V15 HydrophobicContact CB-CG2 4.33Å; A7-A44 HydrophobicContact CB-CB 4.3Å; A7-I47 VanDerWaalsContact C-CG2 3.48Å; A7-I47 HydrophobicContact CB-CB 3.97Å; A7-I47 HydrophobicContact CB-CG2 3.71Å
8M91.6Very high92.2Very high90 Ų9058 Ų5844%0.44331%0.312SS..Hα-helixtrans-64-27.7178.1-75.1176.668.400112.9H4 F5 A6 G10 I47 K51H4-M8 WeakPolarHBondContact O-CB 3.32Å; H4-M8 VanDerWaalsContact O-CG 3.24Å; H4-M8 WeakPolarHBondContact O-CG 3.21Å; H4-M8 PolarHBondContact O-N 2.66Å; F5-M8 HydrophobicContact CD1-SD 4.2Å; F5-M8 PolarHBondContact O-N 3.18Å; A6-M8 PolarHBondContact O-N 3.11Å; M8-G10 VanDerWaalsContact C-N 3.27Å; M8-I47 HydrophobicContact CB-CG2 4.18Å; M8-I47 HydrophobicContact CG-CD1 4.08Å; M8-I47 HydrophobicContact CG-CG2 3.59Å; M8-K51 VanDerWaalsContact O-CE 3.25Å; M8-K51 WeakPolarHBondContact O-CE 3.38Å
9S91.4Very high92.2Very high75 Ų7555.5 Ų55.552%0.52430%0.299SS..Hα-helixtrans-72.4-19.7176.777.10000113.3F5 A6 A7 S11F5-S9 PolarHBondContact O-N 3.29Å; A6-S9 WeakPolarHBondContact O-CB 3.47Å; A6-S9 PolarHBondContact O-N 3.18Å; A6-S9 PolarHBondContact O-OG 2.85Å; A7-S9 PolarHBondContact O-N 3.49Å; S9-S11 PolarHBondContact O-N 3.18Å; S9-S11 PolarHBondContact OG-N 3.4Å
10G88.5Confident92.3Very high34 Ų3455.8 Ų55.835%0.35131%0.305SS..THydrogen-bonded Turntrans68.919.1-172.900000114.1A7 M8 D53A7-G10 PolarHBondContact O-N 3.07Å; A7-G10 VanDerWaalsContact O-N 3.1Å; M8-G10 VanDerWaalsContact C-N 3.27Å; G10-D53 VanDerWaalsContact C-OD2 3.26Å
11S92.6Very high92.3Very high28 Ų2855.8 Ų55.820%0.19631%0.313CS..  trans-102.1108.6174.2168.50000110.4S9 E13 C14 V15S9-S11 PolarHBondContact O-N 3.18Å; S9-S11 PolarHBondContact OG-N 3.4Å; S11-E13 PolarHBondContact O-N 3.04Å; S11-E13 PolarHBondContact OG-N 2.68Å; S11-E13 PolarHBondContact OG-OE2 3.05Å; S11-C14 WeakPolarHBondContact O-CB 3.49Å; S11-C14 PolarHBondContact O-N 2.98Å; S11-C14 VanDerWaalsContact O-N 3.15Å; S11-C14 PolarHBondContact OG-N 3.48Å; S11-C14 PolarHBondContact OG-SG 3.42Å; S11-C14 VanDerWaalsContact OG-SG 3.37Å; S11-V15 PolarHBondContact O-N 3.05Å; S11-V15 VanDerWaalsContact O-N 3.14Å
12W93.9Very high92.9Very high95 Ų9552.1 Ų52.136%0.3630%0.295SS..Hα-helixtrans-61.6-27.8173.668.9-89.7000112.4V15 K16 E55 S56 L59W12-V15 PolarHBondContact O-N 3.47Å; W12-K16 HydrophobicContact CZ3-CD 4.09Å; W12-K16 VanDerWaalsContact O-CB 3.3Å; W12-K16 WeakPolarHBondContact O-CB 3.45Å; W12-K16 PolarHBondContact O-N 3.39Å; W12-E55 HydrophobicContact CB-CB 3.49Å; W12-E55 VanDerWaalsContact CB-CB 3.49Å; W12-E55 HydrophobicContact CD2-CB 4.27Å; W12-E55 HydrophobicContact CG-CB 3.62Å; W12-E55 HydrophobicContact CG-CG 4.35Å; W12-S56 VanDerWaalsContact CA-OG 3.26Å; W12-S56 WeakPolarHBondContact CA-OG 3.2Å; W12-L59 HydrophobicContact CB-CD1 4.24Å; W12-L59 HydrophobicContact CE3-CD1 4.15Å; W12-L59 WeakPolarHBondContact O-CD1 3.31Å
13E95.6Very high92.9Very high86 Ų8653.5 Ų53.540%0.40229%0.293SS..Hα-helixtrans-65.4-44.1173.8-57.887.1166.900111.5S11 V15 K16 I17S11-E13 PolarHBondContact O-N 3.04Å; S11-E13 PolarHBondContact OG-N 2.68Å; S11-E13 PolarHBondContact OG-OE2 3.05Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 3.45Å; E13-K16 PolarHBondContact O-N 3.23Å; E13-I17 VanDerWaalsContact O-CG1 3.29Å; E13-I17 WeakPolarHBondContact O-CG1 3.42Å; E13-I17 PolarHBondContact O-N 3.2Å
14C95.4Very high92.8Very high53 Ų5357 Ų5736%0.35832%0.323SS..Hα-helixtrans-62-41.8175.1-67.30000111.2A6 S11 I17 C18A6-C14 HydrophobicContact CB-CB 3.78Å; S11-C14 WeakPolarHBondContact O-CB 3.49Å; S11-C14 PolarHBondContact O-N 2.98Å; S11-C14 VanDerWaalsContact O-N 3.15Å; S11-C14 PolarHBondContact OG-N 3.48Å; S11-C14 PolarHBondContact OG-SG 3.42Å; S11-C14 VanDerWaalsContact OG-SG 3.37Å; C14-I17 PolarHBondContact O-N 2.89Å; C14-C18 WeakPolarHBondContact O-CB 3.22Å; C14-C18 PolarHBondContact O-N 3.45Å; C14-C18 PolarHBondContact O-SG 3.48Å; C14-C18 VanDerWaalsContact O-SG 3.4Å
15V95.3Very high92.6Very high0 Ų062.1 Ų62.10%034%0.343CS..Hα-helixtrans-63.2-46.2176.9171.30000110.4L3 A6 A7 S11 W12 E13 I17 C18 I19 S56 L59 L60L3-V15 HydrophobicContact CD1-CG1 4.19Å; A6-V15 HydrophobicContact CB-CG2 3.85Å; A7-V15 HydrophobicContact CB-CG2 4.33Å; S11-V15 PolarHBondContact O-N 3.05Å; S11-V15 VanDerWaalsContact O-N 3.14Å; W12-V15 PolarHBondContact O-N 3.47Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 3.45Å; V15-I17 PolarHBondContact O-N 3.08Å; V15-C18 PolarHBondContact O-N 3.26Å; V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CG1 3.44Å; V15-I19 PolarHBondContact O-N 2.63Å; V15-S56 WeakPolarHBondContact CG2-OG 3.43Å; V15-L59 HydrophobicContact CG1-CB 4.39Å; V15-L60 HydrophobicContact CG1-CD1 4.4Å; V15-L60 HydrophobicContact CG1-CD2 4.05Å; V15-L60 HydrophobicContact CG1-CG 3.94Å
16K95.4Very high92.3Very high105 Ų10566.9 Ų66.946%0.45736%0.363SS..Hα-helixtrans-57.7-44.5176-173.5177178.6178.20112.4W12 E13 I19 S20 L59W12-K16 HydrophobicContact CZ3-CD 4.09Å; W12-K16 VanDerWaalsContact O-CB 3.3Å; W12-K16 WeakPolarHBondContact O-CB 3.45Å; W12-K16 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3.23Å; K16-I19 PolarHBondContact O-N 3.18Å; K16-S20 WeakPolarHBondContact O-CB 3.34Å; K16-S20 PolarHBondContact O-N 3.25Å; K16-S20 PolarHBondContact O-OG 3.35Å; K16-L59 HydrophobicContact CB-CD1 3.87Å
17I95.1Very high92.1Very high117 Ų11771.6 Ų71.660%0.639%0.387SS*.Hα-helixtrans-62.9-45.1177-69165.5000110.3E13 C14 V15 S20 A21E13-I17 VanDerWaalsContact O-CG1 3.29Å; E13-I17 WeakPolarHBondContact O-CG1 3.42Å; E13-I17 PolarHBondContact O-N 3.2Å; C14-I17 PolarHBondContact O-N 2.89Å; V15-I17 PolarHBondContact O-N 3.08Å; I17-S20 PolarHBondContact O-N 3.42Å; I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.88Å
18C93.8Very high91.8Very high26 Ų2674.3 Ų74.318%0.17640%0.401CS..Hα-helixtrans-62.8-43.8178.1-77.20000112.4L3 C14 V15 A21 L22L3-C18 HydrophobicContact CB-CB 4.39Å; L3-C18 HydrophobicContact CD1-CB 3.64Å; C14-C18 WeakPolarHBondContact O-CB 3.22Å; C14-C18 PolarHBondContact O-N 3.45Å; C14-C18 PolarHBondContact O-SG 3.48Å; C14-C18 VanDerWaalsContact O-SG 3.4Å; V15-C18 PolarHBondContact O-N 3.26Å; C18-A21 PolarHBondContact O-N 3.41Å; C18-L22 WeakPolarHBondContact O-CG 3.34Å; C18-L22 PolarHBondContact O-N 2.73Å
19I93.4Very high91.5Very high11 Ų1174.4 Ų74.46%0.05640%0.404CS..Hα-helixtrans-62.3-45.5175.3-68.5167.3000110.5L3 V15 K16 A21 L22 Q23 L59 L60 A63L3-I19 HydrophobicContact CD1-CG1 4.02Å; V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CG1 3.44Å; V15-I19 PolarHBondContact O-N 2.63Å; K16-I19 PolarHBondContact O-N 3.18Å; I19-A21 VanDerWaalsContact C-N 3.31Å; I19-A21 PolarHBondContact O-N 3.37Å; I19-L22 WeakPolarHBondContact O-CB 3.37Å; I19-L22 PolarHBondContact O-N 2.88Å; I19-L22 VanDerWaalsContact O-N 3.16Å; I19-Q23 HydrophobicContact CG2-CG 4.37Å; I19-Q23 WeakPolarHBondContact O-CG 3.44Å; I19-Q23 PolarHBondContact O-N 2.97Å; I19-L59 HydrophobicContact CD1-CB 3.97Å; I19-L60 HydrophobicContact CD1-CD2 4.16Å; I19-A63 HydrophobicContact CD1-CB 4.01Å; I19-A63 HydrophobicContact CG1-CB 4.24Å; I19-A63 HydrophobicContact CG2-CB 3.78Å
20S92.8Very high91.2Very high60 Ų6071.8 Ų71.842%0.4239%0.385SS..Hα-helixtrans-60.8-40.8178.5-55.60000111.8K16 I17 Q23 A24K16-S20 WeakPolarHBondContact O-CB 3.34Å; K16-S20 PolarHBondContact O-N 3.25Å; K16-S20 PolarHBondContact O-OG 3.35Å; I17-S20 PolarHBondContact O-N 3.42Å; S20-Q23 PolarHBondContact O-N 3.17Å; S20-A24 PolarHBondContact O-N 3.17Å; S20-A24 VanDerWaalsContact O-N 3.1Å
21A91.7Very high91Very high57 Ų5771.4 Ų71.447%0.47138%0.379SS..Hα-helixtrans-67.3-36.817600000112.6I17 C18 I19 R25I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.88Å; C18-A21 PolarHBondContact O-N 3.41Å; I19-A21 VanDerWaalsContact C-N 3.31Å; I19-A21 PolarHBondContact O-N 3.37Å; A21-R25 VanDerWaalsContact O-CG 3.3Å; A21-R25 WeakPolarHBondContact O-CG 3.36Å; A21-R25 PolarHBondContact O-N 2.88Å
22L91.1Very high90.7Very high27 Ų2774.1 Ų74.114%0.14139%0.394CS..Hα-helixtrans-66.2-44174.1-74.1170.7000111.6L3 C18 I19 A24 R25 L28 E33 V34L3-L22 HydrophobicContact CD2-CD1 4.11Å; C18-L22 WeakPolarHBondContact O-CG 3.34Å; C18-L22 PolarHBondContact O-N 2.73Å; I19-L22 WeakPolarHBondContact O-CB 3.37Å; I19-L22 PolarHBondContact O-N 2.88Å; I19-L22 VanDerWaalsContact O-N 3.16Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.33Å; L22-R25 WeakPolarHBondContact O-CB 3.22Å; L22-R25 PolarHBondContact O-N 3.41Å; L22-R25 VanDerWaalsContact O-N 3.15Å; L22-L28 HydrophobicContact CD2-CD1 4.11Å; L22-E33 HydrophobicContact CD1-CB 4.37Å; L22-E33 HydrophobicContact CD2-CB 4.09Å; L22-E33 HydrophobicContact CD2-CG 4.34Å; L22-V34 HydrophobicContact CD1-CG2 4.48Å
23Q89.8Confident90.5Very high122 Ų12271.4 Ų71.457%0.5739%0.385SS*.Hα-helixtrans-65.4-30.4177.8-71174.3-16.300113I19 S20 R25 C30I19-Q23 HydrophobicContact CG2-CG 4.37Å; I19-Q23 WeakPolarHBondContact O-CG 3.44Å; I19-Q23 PolarHBondContact O-N 2.97Å; S20-Q23 PolarHBondContact O-N 3.17Å; Q23-R25 VanDerWaalsContact C-N 3.26Å; Q23-R25 PolarHBondContact O-N 3.29Å; Q23-C30 HydrophobicContact CG-CB 4.42Å
24A90.4Very high90.1Very high81 Ų8167.3 Ų67.367%0.66937%0.366SS*.Hα-helixtrans-72.4-18.4175.900000113.4S20 L22 K26S20-A24 PolarHBondContact O-N 3.17Å; S20-A24 VanDerWaalsContact O-N 3.1Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.33Å; A24-K26 PolarHBondContact O-N 3.09Å
25R88.7Confident89.7Confident114 Ų11468.9 Ų68.943%0.4337%0.365SS..  trans-84.5110.2-179.6-71.2-103.7-62.4154.912.8110.2A21 L22 Q23 D27 L28A21-R25 VanDerWaalsContact O-CG 3.3Å; A21-R25 WeakPolarHBondContact O-CG 3.36Å; A21-R25 PolarHBondContact O-N 2.88Å; L22-R25 WeakPolarHBondContact O-CB 3.22Å; L22-R25 PolarHBondContact O-N 3.41Å; L22-R25 VanDerWaalsContact O-N 3.15Å; Q23-R25 VanDerWaalsContact C-N 3.26Å; Q23-R25 PolarHBondContact O-N 3.29Å; R25-D27 IonicContact CZ-OD1 3.19Å; R25-D27 IonicContact CZ-OD2 2.93Å; R25-D27 IonicContact NE-OD1 3.74Å; R25-D27 PolarHBondContact NE-OD1 3.49Å; R25-D27 IonicContact NE-OD2 2.7Å; R25-D27 VanDerWaalsContact NH1-CG 3.33Å; R25-D27 IonicContact NH1-OD1 2.9Å; R25-D27 PolarHBondContact NH1-OD1 3.39Å; R25-D27 VanDerWaalsContact NH1-OD1 3.1Å; R25-D27 IonicContact NH1-OD2 3.64Å; R25-D27 PolarHBondContact NH1-OD2 3.32Å; R25-D27 IonicContact NH2-OD1 2.78Å; R25-D27 PolarHBondContact NH2-OD1 3.36Å; R25-D27 IonicContact NH2-OD2 2.63Å; R25-D27 PolarHBondContact NH2-OD2 2.92Å; R25-D27 PolarHBondContact O-N 3.23Å; R25-L28 HydrophobicContact CB-CB 4.44Å; R25-L28 HydrophobicContact CB-CD1 4.33Å; R25-L28 VanDerWaalsContact NH2-CD1 3.27Å; R25-L28 VanDerWaalsContact NH2-CG 3.27Å
26K85.4Confident89.3Confident216 Ų21675.4 Ų75.494%0.93939%0.389SS*.THydrogen-bonded Turntrans-70.8-16.6178.1-64.4-175.4180-178.70114.2A24A24-K26 PolarHBondContact O-N 3.09Å
27D89.7Confident88.9Confident106 Ų10675.4 Ų75.457%0.56739%0.39SS*.THydrogen-bonded Turntrans-95.40.9-176.163.9-41.4000113.7R25R25-D27 IonicContact CZ-OD1 3.19Å; R25-D27 IonicContact CZ-OD2 2.93Å; R25-D27 IonicContact NE-OD1 3.74Å; R25-D27 PolarHBondContact NE-OD1 3.49Å; R25-D27 IonicContact NE-OD2 2.7Å; R25-D27 VanDerWaalsContact NH1-CG 3.33Å; R25-D27 IonicContact NH1-OD1 2.9Å; R25-D27 PolarHBondContact NH1-OD1 3.39Å; R25-D27 VanDerWaalsContact NH1-OD1 3.1Å; R25-D27 IonicContact NH1-OD2 3.64Å; R25-D27 PolarHBondContact NH1-OD2 3.32Å; R25-D27 IonicContact NH2-OD1 2.78Å; R25-D27 PolarHBondContact NH2-OD1 3.36Å; R25-D27 IonicContact NH2-OD2 2.63Å; R25-D27 PolarHBondContact NH2-OD2 2.92Å; R25-D27 PolarHBondContact O-N 3.23Å
28L86.6Confident88.4Confident57 Ų5770.8 Ų70.830%0.29837%0.366SS..SBendtrans-123.8142.9175.6-65172.8000110.4L22 R25 E33L22-L28 HydrophobicContact CD2-CD1 4.11Å; R25-L28 HydrophobicContact CB-CB 4.44Å; R25-L28 HydrophobicContact CB-CD1 4.33Å; R25-L28 VanDerWaalsContact NH2-CD1 3.27Å; R25-L28 VanDerWaalsContact NH2-CG 3.27Å; L28-E33 HydrophobicContact CB-CG 4.34Å; L28-E33 HydrophobicContact CD1-CG 4.3Å; L28-E33 HydrophobicContact CD2-CG 4.31Å
29D85.2Confident88Confident93 Ų9377.4 Ų77.450%0.49739%0.392SS..  trans-82.7115.7162.317331.6000109.5A31 T32 E33D29-A31 VanDerWaalsContact C-N 3.28Å; D29-A31 PolarHBondContact O-N 2.75Å; D29-A31 PolarHBondContact OD1-N 2.88Å; D29-T32 PolarHBondContact O-N 3.42Å; D29-T32 VanDerWaalsContact OD2-CB 3.31Å; D29-T32 WeakPolarHBondContact OD2-CB 3.42Å; D29-T32 PolarHBondContact OD2-N 3.14Å; D29-T32 PolarHBondContact OD2-OG1 3.46Å; D29-E33 PolarHBondContact O-N 2.61Å
30C85.7Confident87.4Confident20 Ų2081.9 Ų81.914%0.13541%0.414CS..Hα-helixtrans-58.6-40.5180-174.40000111.5Q23 E33 V34Q23-C30 HydrophobicContact CG-CB 4.42Å; C30-E33 PolarHBondContact O-N 3.32Å; C30-V34 WeakPolarHBondContact O-CB 3.46Å; C30-V34 WeakPolarHBondContact O-CG2 3.49Å; C30-V34 PolarHBondContact O-N 3.07Å
31A84.4Confident87Confident26 Ų2680 Ų8022%0.21540%0.403CS..Hα-helixtrans-64.5-44-178.800000111.4D29 R35D29-A31 VanDerWaalsContact C-N 3.28Å; D29-A31 PolarHBondContact O-N 2.75Å; D29-A31 PolarHBondContact OD1-N 2.88Å; A31-R35 VanDerWaalsContact O-CG 3.28Å; A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.91Å
32T86.4Confident86.6Confident84 Ų8479.2 Ų79.252%0.51539%0.39SS..Hα-helixtrans-61.2-44.7174.5-63.50000112.4D29 R35 R36D29-T32 PolarHBondContact O-N 3.42Å; D29-T32 VanDerWaalsContact OD2-CB 3.31Å; D29-T32 WeakPolarHBondContact OD2-CB 3.42Å; D29-T32 PolarHBondContact OD2-N 3.14Å; D29-T32 PolarHBondContact OD2-OG1 3.46Å; T32-R35 PolarHBondContact O-N 3.13Å; T32-R36 PolarHBondContact O-N 3.48Å
33E87.8Confident86.4Confident38 Ų3878 Ų7818%0.17838%0.383CS..Hα-helixtrans-70.8-33.8-178.4-74.6-61.7138.700113.2L22 L28 D29 C30 R35 R36L22-E33 HydrophobicContact CD1-CB 4.37Å; L22-E33 HydrophobicContact CD2-CB 4.09Å; L22-E33 HydrophobicContact CD2-CG 4.34Å; L28-E33 HydrophobicContact CB-CG 4.34Å; L28-E33 HydrophobicContact CD1-CG 4.3Å; L28-E33 HydrophobicContact CD2-CG 4.31Å; D29-E33 PolarHBondContact O-N 2.61Å; C30-E33 PolarHBondContact O-N 3.32Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.01Å; E33-R36 WeakPolarHBondContact O-CB 3.16Å; E33-R36 PolarHBondContact O-N 3.23Å; E33-R36 IonicContact OE1-NH1 3.89Å; E33-R36 PolarHBondContact OE1-NH1 3.06Å; E33-R36 VanDerWaalsContact OE1-NH1 3.11Å; E33-R36 WeakPolarHBondContact OE2-CD 3.44Å; E33-R36 IonicContact OE2-NH1 2.98Å; E33-R36 PolarHBondContact OE2-NH1 3.42Å
34V89.1Confident86.4Confident0 Ų072.1 Ų72.10%036%0.356CS..Hα-helixtrans-65.8-33.8175.6171.40000111.5L3 L22 C30 R36 L60 A63 A65L3-V34 HydrophobicContact CD2-CB 4.33Å; L3-V34 HydrophobicContact CD2-CG2 3.94Å; L22-V34 HydrophobicContact CD1-CG2 4.48Å; C30-V34 WeakPolarHBondContact O-CB 3.46Å; C30-V34 WeakPolarHBondContact O-CG2 3.49Å; C30-V34 PolarHBondContact O-N 3.07Å; V34-R36 VanDerWaalsContact C-N 3.3Å; V34-L60 HydrophobicContact CG1-CD2 4.04Å; V34-A63 HydrophobicContact CG2-CB 4.16Å; V34-A65 HydrophobicContact CG1-CB 3.51Å
35R86.8Confident86.3Confident86 Ų8668.3 Ų68.333%0.32532%0.324SS..THydrogen-bonded Turntrans-82.2-5.8177.1-64.2172.7-162.4-158.11.2113.8A31 T32 E33 K37 G64 E66A31-R35 VanDerWaalsContact O-CG 3.28Å; A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.91Å; T32-R35 PolarHBondContact O-N 3.13Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.01Å; R35-K37 PolarHBondContact O-N 3.02Å; R35-G64 PolarHBondContact NE-O 2.96Å; R35-G64 PolarHBondContact NH2-O 3.41Å; R35-E66 WeakPolarHBondContact CD-O 3.35Å; R35-E66 IonicContact CZ-OE2 2.71Å; R35-E66 PolarHBondContact NE-O 2.89Å; R35-E66 IonicContact NH1-OE2 3.1Å; R35-E66 PolarHBondContact NH1-OE2 2.87Å; R35-E66 VanDerWaalsContact NH2-CG 3.31Å; R35-E66 IonicContact NH2-OE1 3.32Å; R35-E66 IonicContact NH2-OE2 3.18Å; R35-E66 PolarHBondContact NH2-OE2 2.82Å
36R87Confident86.2Confident137 Ų13763 Ų6352%0.51730%0.304SS..  trans-63.2135.4-176.6-168.4171.2-176.3157.35.1110.2H4 T32 E33 V34H4-R36 PolarHBondContact CE1-O 3.48Å; H4-R36 VanDerWaalsContact CE1-O 3.3Å; H4-R36 PolarHBondContact NE2-O 3.41Å; T32-R36 PolarHBondContact O-N 3.48Å; E33-R36 WeakPolarHBondContact O-CB 3.16Å; E33-R36 PolarHBondContact O-N 3.23Å; E33-R36 IonicContact OE1-NH1 3.89Å; E33-R36 PolarHBondContact OE1-NH1 3.06Å; E33-R36 VanDerWaalsContact OE1-NH1 3.11Å; E33-R36 WeakPolarHBondContact OE2-CD 3.44Å; E33-R36 IonicContact OE2-NH1 2.98Å; E33-R36 PolarHBondContact OE2-NH1 3.42Å; V34-R36 VanDerWaalsContact C-N 3.3Å
37K86.1Confident86.4Confident106 Ų10652.9 Ų52.946%0.46126%0.261SS..  trans-88.3146.9176.2-67.3174.4172.3178.90111.5R35 G41 K42 M72R35-K37 PolarHBondContact O-N 3.02Å; K37-G41 WeakPolarHBondContact CD-O 3.33Å; K37-G41 VanDerWaalsContact CG-O 3.24Å; K37-G41 WeakPolarHBondContact CG-O 3.26Å; K37-K42 CarbonylContact C-O 3.58Å; K37-K42 WeakPolarHBondContact CA-O 3.29Å; K37-M72 VanDerWaalsContact CE-SD 3.54Å; K37-M72 PolarHBondContact NZ-SD 3.32Å
38N85.7Confident86.5Confident20 Ų2047.9 Ų47.911%0.10723%0.234CC..  trans-82.3-176.2170.872.84.9000111.1M40 G41 K42N38-M40 PolarHBondContact O-N 3.23Å; N38-M40 WeakPolarHBondContact OD1-CA 3.38Å; N38-M40 WeakPolarHBondContact OD1-CB 3.41Å; N38-M40 PolarHBondContact OD1-N 3.38Å; N38-G41 PolarHBondContact O-N 3.42Å; N38-G41 PolarHBondContact OD1-N 2.87Å; N38-K42 PolarHBondContact N-O 3.09Å; N38-K42 PolarHBondContact OD1-N 3.08Å; N38-K42 PolarHBondContact OD1-O 3.4Å
39F84.7Confident86.6Confident165 Ų16545.1 Ų45.172%0.72422%0.219SC*.THydrogen-bonded Turntrans-65.6-14.1178.768-89.9000114.2
40M81.4Confident86.8Confident105 Ų10543.6 Ų43.652%0.51721%0.209SC..THydrogen-bonded Turntrans-95.912.3172.8-58.3-177.5143.700112.3N38 K42N38-M40 PolarHBondContact O-N 3.23Å; N38-M40 WeakPolarHBondContact OD1-CA 3.38Å; N38-M40 WeakPolarHBondContact OD1-CB 3.41Å; N38-M40 PolarHBondContact OD1-N 3.38Å; M40-K42 HydrophobicContact CB-CG 4.37Å; M40-K42 PolarHBondContact O-N 3.47Å
41G82.6Confident87Confident19 Ų1948.1 Ų48.120%0.19623%0.227CC..SBendtrans75.70.3-178.500000115.2K37 N38 M72K37-G41 WeakPolarHBondContact CD-O 3.33Å; K37-G41 VanDerWaalsContact CG-O 3.24Å; K37-G41 WeakPolarHBondContact CG-O 3.26Å; N38-G41 PolarHBondContact O-N 3.42Å; N38-G41 PolarHBondContact OD1-N 2.87Å; G41-M72 WeakPolarHBondContact O-CE 3.48Å
42K84.1Confident87.3Confident41 Ų4148.7 Ų48.718%0.17823%0.229CC..  trans-94.3136-174.5-52.1-169.2-169.2-169.70112.6K37 N38 M40 T46 I47 E50K37-K42 CarbonylContact C-O 3.58Å; K37-K42 WeakPolarHBondContact CA-O 3.29Å; N38-K42 PolarHBondContact N-O 3.09Å; N38-K42 PolarHBondContact OD1-N 3.08Å; N38-K42 PolarHBondContact OD1-O 3.4Å; M40-K42 HydrophobicContact CB-CG 4.37Å; M40-K42 PolarHBondContact O-N 3.47Å; K42-T46 HydrophobicContact CD-CG2 4.46Å; K42-I47 HydrophobicContact CB-CD1 4.39Å; K42-I47 HydrophobicContact CB-CG1 4.06Å; K42-I47 HydrophobicContact CD-CG1 4.48Å; K42-E50 WeakPolarHBondContact CE-OE1 3.29Å; K42-E50 IonicContact NZ-OE1 3.19Å; K42-E50 PolarHBondContact NZ-OE1 2.66Å; K42-E50 IonicContact NZ-OE2 2.89Å; K42-E50 PolarHBondContact NZ-OE2 3.28Å
43D87Confident87.6Confident1 Ų145.5 Ų45.51%0.00521%0.209CC..  trans-83.7169.416767-8.6000111.2L45 T46 I47 T67 Y69D43-L45 PolarHBondContact O-N 3.04Å; D43-T46 PolarHBondContact O-N 2.62Å; D43-T46 WeakPolarHBondContact OD1-CB 2.91Å; D43-T46 PolarHBondContact OD1-N 3.2Å; D43-T46 PolarHBondContact OD1-OG1 3.12Å; D43-I47 WeakPolarHBondContact O-CG1 3.5Å; D43-I47 PolarHBondContact O-N 3.02Å; D43-T67 WeakPolarHBondContact OD2-CB 3.24Å; D43-T67 WeakPolarHBondContact OD2-CG2 3.31Å; D43-T67 PolarHBondContact OD2-OG1 3.13Å; D43-Y69 PolarHBondContact OD1-OH 3.1Å; D43-Y69 PolarHBondContact OD2-OH 3.42Å
44A89.9Confident87.7Confident0 Ų047.3 Ų47.30%021%0.214CC..Hα-helixtrans-62.7-31.5179.900000112.3L3 A7 I47 S48 L60L3-A44 HydrophobicContact CD2-CB 3.86Å; L3-A44 HydrophobicContact CG-CB 3.74Å; A7-A44 HydrophobicContact CB-CB 4.3Å; A44-I47 PolarHBondContact O-N 3.48Å; A44-S48 PolarHBondContact O-N 3Å; A44-L60 HydrophobicContact CB-CD1 4.13Å; A44-L60 HydrophobicContact CB-CD2 3.87Å; A44-L60 WeakPolarHBondContact O-CD1 3.28Å
45L89Confident88Confident0 Ų051.7 Ų51.70%024%0.235CC..Hα-helixtrans-65.4-49.5178.4-170.569.1000111.7D43 I47 S48 I49 F57 L60 I61 A65 L97D43-L45 PolarHBondContact O-N 3.04Å; L45-I47 VanDerWaalsContact C-N 3.25Å; L45-I47 PolarHBondContact O-N 3.48Å; L45-S48 PolarHBondContact O-N 3.08Å; L45-S48 VanDerWaalsContact O-N 3.08Å; L45-S48 PolarHBondContact O-OG 3.23Å; L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 2.85Å; L45-I49 VanDerWaalsContact O-N 3.13Å; L45-F57 HydrophobicContact CD1-CD2 3.52Å; L45-F57 HydrophobicContact CD1-CE2 3.73Å; L45-F57 HydrophobicContact CD1-CG 4.26Å; L45-F57 HydrophobicContact CD2-CE2 4.49Å; L45-F57 HydrophobicContact CG-CD2 4.27Å; L45-F57 HydrophobicContact CG-CE2 4.21Å; L45-L60 HydrophobicContact CD1-CB 3.8Å; L45-L60 HydrophobicContact CD1-CD1 4.42Å; L45-I61 HydrophobicContact CD1-CD1 3.88Å; L45-I61 HydrophobicContact CD1-CG1 4.01Å; L45-I61 HydrophobicContact CD2-CD1 3.74Å; L45-I61 HydrophobicContact CG-CD1 4.49Å; L45-A65 HydrophobicContact CB-CB 4.28Å; L45-A65 HydrophobicContact CD1-CB 4.29Å; L45-A65 HydrophobicContact CD2-CB 4.04Å; L45-A65 HydrophobicContact CG-CB 4.45Å; L45-L97 HydrophobicContact CD2-CD2 3.93Å
46T86.3Confident88.3Confident3 Ų347.6 Ų47.62%0.01822%0.219CC..Hα-helixtrans-57.4-41.9176.3-54.10000111K42 D43 S48 I49 E50 Y69K42-T46 HydrophobicContact CD-CG2 4.46Å; D43-T46 PolarHBondContact O-N 2.62Å; D43-T46 WeakPolarHBondContact OD1-CB 2.91Å; D43-T46 PolarHBondContact OD1-N 3.2Å; D43-T46 PolarHBondContact OD1-OG1 3.12Å; T46-S48 PolarHBondContact O-N 2.96Å; T46-I49 PolarHBondContact O-N 3.47Å; T46-E50 WeakPolarHBondContact O-CG 3.46Å; T46-E50 PolarHBondContact O-N 3.26Å; T46-Y69 VanDerWaalsContact OG1-CE1 3.31Å; T46-Y69 WeakPolarHBondContact OG1-CE1 3.39Å; T46-Y69 PolarHBondContact OG1-OH 2.87Å
47I88.6Confident88.5Confident4 Ų441.1 Ų41.12%0.02120%0.195CC..Hα-helixtrans-63-42.2177.9-63.9167.6000111H4 A7 M8 K42 D43 A44 L45 I49 E50 K51H4-I47 HydrophobicContact CB-CD1 4.04Å; A7-I47 VanDerWaalsContact C-CG2 3.48Å; A7-I47 HydrophobicContact CB-CB 3.97Å; A7-I47 HydrophobicContact CB-CG2 3.71Å; M8-I47 HydrophobicContact CB-CG2 4.18Å; M8-I47 HydrophobicContact CG-CD1 4.08Å; M8-I47 HydrophobicContact CG-CG2 3.59Å; K42-I47 HydrophobicContact CB-CD1 4.39Å; K42-I47 HydrophobicContact CB-CG1 4.06Å; K42-I47 HydrophobicContact CD-CG1 4.48Å; D43-I47 WeakPolarHBondContact O-CG1 3.5Å; D43-I47 PolarHBondContact O-N 3.02Å; A44-I47 PolarHBondContact O-N 3.48Å; L45-I47 VanDerWaalsContact C-N 3.25Å; L45-I47 PolarHBondContact O-N 3.48Å; I47-I49 PolarHBondContact O-N 2.91Å; I47-E50 PolarHBondContact O-N 3.19Å; I47-K51 HydrophobicContact CG2-CG 4.4Å; I47-K51 WeakPolarHBondContact O-CG 3.32Å; I47-K51 PolarHBondContact O-N 3.17Å
48S91.3Very high88.8Confident0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-60.1-37.1177730000112.2A44 L45 T46 K51 S52 D53A44-S48 PolarHBondContact O-N 3Å; L45-S48 PolarHBondContact O-N 3.08Å; L45-S48 VanDerWaalsContact O-N 3.08Å; L45-S48 PolarHBondContact O-OG 3.23Å; T46-S48 PolarHBondContact O-N 2.96Å; S48-K51 PolarHBondContact O-N 3.27Å; S48-S52 PolarHBondContact O-N 3.33Å; S48-D53 PolarHBondContact O-N 2.95Å
49I90Very high89.1Confident0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-68.2-46.6176.1-61.6163.6000110.5L45 T46 I47 K51 S52 F57 P77 A80 A81 Q84 V93 L97L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 2.85Å; L45-I49 VanDerWaalsContact O-N 3.13Å; T46-I49 PolarHBondContact O-N 3.47Å; I47-I49 PolarHBondContact O-N 2.91Å; I49-K51 PolarHBondContact O-N 3.42Å; I49-K51 VanDerWaalsContact O-N 3.16Å; I49-S52 PolarHBondContact O-N 3.37Å; I49-F57 HydrophobicContact CD1-CD2 4.03Å; I49-F57 HydrophobicContact CD1-CE2 3.86Å; I49-F57 HydrophobicContact CG1-CD2 3.66Å; I49-F57 HydrophobicContact CG1-CE2 3.99Å; I49-P77 HydrophobicContact CD1-CB 3.52Å; I49-P77 HydrophobicContact CD1-CG 4.49Å; I49-P77 WeakPolarHBondContact CG2-O 3.5Å; I49-A80 HydrophobicContact CG2-CB 4.06Å; I49-A81 HydrophobicContact CG2-CB 3.82Å; I49-Q84 PolarHBondContact O-NE2 3.47Å; I49-Q84 PolarHBondContact O-OE1 2.93Å; I49-V93 HydrophobicContact CD1-CG2 3.8Å; I49-V93 HydrophobicContact CG1-CG2 3.94Å; I49-V93 HydrophobicContact CG2-CG2 4.41Å; I49-L97 HydrophobicContact CD1-CD1 4.38Å
50E88.3Confident89.4Confident60 Ų6031.3 Ų31.328%0.2816%0.155SC..Hα-helixtrans-60.2-25.3176-72.4179.7176.200113.5K42 T46 I47 A80 Q84K42-E50 WeakPolarHBondContact CE-OE1 3.29Å; K42-E50 IonicContact NZ-OE1 3.19Å; K42-E50 PolarHBondContact NZ-OE1 2.66Å; K42-E50 IonicContact NZ-OE2 2.89Å; K42-E50 PolarHBondContact NZ-OE2 3.28Å; T46-E50 WeakPolarHBondContact O-CG 3.46Å; T46-E50 PolarHBondContact O-N 3.26Å; I47-E50 PolarHBondContact O-N 3.19Å; E50-A80 HydrophobicContact CG-CB 3.97Å; E50-Q84 PolarHBondContact O-NE2 3.48Å; E50-Q84 VanDerWaalsContact O-NE2 3.11Å
51K90.2Very high89.8Confident116 Ų11628.8 Ų28.850%0.50414%0.143SC..THydrogen-bonded Turntrans-91.3-0.4176-65.1-60.5178.9179.20114.3M8 I47 S48 I49 D53M8-K51 VanDerWaalsContact O-CE 3.25Å; M8-K51 WeakPolarHBondContact O-CE 3.38Å; I47-K51 HydrophobicContact CG2-CG 4.4Å; I47-K51 WeakPolarHBondContact O-CG 3.32Å; I47-K51 PolarHBondContact O-N 3.17Å; S48-K51 PolarHBondContact O-N 3.27Å; I49-K51 PolarHBondContact O-N 3.42Å; I49-K51 VanDerWaalsContact O-N 3.16Å; K51-D53 HydrophobicContact CB-CB 4.38Å; K51-D53 PolarHBondContact O-N 2.73Å
52S91.2Very high90.1Very high37 Ų3732.4 Ų32.426%0.25917%0.165SC..THydrogen-bonded Turntrans57.823.2-173.4-140.50000114S48 I49 Y54 Q84 N86S48-S52 PolarHBondContact O-N 3.33Å; I49-S52 PolarHBondContact O-N 3.37Å; S52-Y54 PolarHBondContact O-N 3.33Å; S52-Q84 VanDerWaalsContact CA-OE1 3.23Å; S52-Q84 PolarHBondContact OG-OE1 3.26Å; S52-N86 PolarHBondContact O-ND2 3.47Å; S52-N86 WeakPolarHBondContact OG-CB 3.15Å; S52-N86 PolarHBondContact OG-ND2 2.63Å
53D92.3Very high90.3Very high18 Ų1831 Ų3110%0.09616%0.161CC..  trans-88.990-174-174.7-6.2000110.4G10 S48 K51 E55 S56 F57G10-D53 VanDerWaalsContact C-OD2 3.26Å; S48-D53 PolarHBondContact O-N 2.95Å; K51-D53 HydrophobicContact CB-CB 4.38Å; K51-D53 PolarHBondContact O-N 2.73Å; D53-E55 VanDerWaalsContact C-N 3.3Å; D53-E55 PolarHBondContact O-N 3.39Å; D53-E55 PolarHBondContact OD1-N 3.44Å; D53-S56 VanDerWaalsContact CG-CB 3.41Å; D53-S56 VanDerWaalsContact CG-OG 3.24Å; D53-S56 PolarHBondContact O-N 2.94Å; D53-S56 PolarHBondContact OD1-N 3.21Å; D53-S56 VanDerWaalsContact OD1-N 3.08Å; D53-S56 WeakPolarHBondContact OD2-CB 3.38Å; D53-S56 PolarHBondContact OD2-OG 3.3Å; D53-F57 WeakPolarHBondContact O-CB 3.21Å; D53-F57 PolarHBondContact O-N 3.11Å
54Y90.9Very high90.2Very high75 Ų7532 Ų3229%0.29417%0.173SC..Hα-helixtrans-57.3-39179.6177.7-97.1000113.5S52 F57 N58 K88 L89 N92S52-Y54 PolarHBondContact O-N 3.33Å; Y54-F57 PolarHBondContact O-N 2.7Å; Y54-N58 WeakPolarHBondContact CE1-ND2 3.38Å; Y54-N58 PolarHBondContact O-N 3.41Å; Y54-N58 VanDerWaalsContact O-N 3.16Å; Y54-N58 PolarHBondContact O-ND2 3.1Å; Y54-N58 PolarHBondContact OH-ND2 2.85Å; Y54-K88 HydrophobicContact CD2-CB 4.46Å; Y54-K88 HydrophobicContact CE2-CB 4.32Å; Y54-L89 HydrophobicContact CD2-CB 4.3Å; Y54-N92 WeakPolarHBondContact CE2-ND2 3.5Å; Y54-N92 PolarHBondContact OH-ND2 3Å
55E93.8Very high89.8Confident92 Ų9232.2 Ų32.243%0.4317%0.174SC..Hα-helixtrans-74.6-42.6-176.6-67.9-60.9162.400111.2W12 D53 F57 N58 L59W12-E55 HydrophobicContact CB-CB 3.49Å; W12-E55 VanDerWaalsContact CB-CB 3.49Å; W12-E55 HydrophobicContact CD2-CB 4.27Å; W12-E55 HydrophobicContact CG-CB 3.62Å; W12-E55 HydrophobicContact CG-CG 4.35Å; D53-E55 VanDerWaalsContact C-N 3.3Å; D53-E55 PolarHBondContact O-N 3.39Å; D53-E55 PolarHBondContact OD1-N 3.44Å; E55-F57 VanDerWaalsContact C-N 3.29Å; E55-F57 PolarHBondContact O-N 2.74Å; E55-N58 PolarHBondContact O-N 3.21Å; E55-L59 WeakPolarHBondContact O-CG 3.25Å; E55-L59 PolarHBondContact O-N 3.43Å
56S93.8Very high88.8Confident0 Ų038.4 Ų38.40%020%0.203CC..Hα-helixtrans-60-40.7172-73.90000112.1W12 V15 D53 L59 L60W12-S56 VanDerWaalsContact CA-OG 3.26Å; W12-S56 WeakPolarHBondContact CA-OG 3.2Å; V15-S56 WeakPolarHBondContact CG2-OG 3.43Å; D53-S56 VanDerWaalsContact CG-CB 3.41Å; D53-S56 VanDerWaalsContact CG-OG 3.24Å; D53-S56 PolarHBondContact O-N 2.94Å; D53-S56 PolarHBondContact OD1-N 3.21Å; D53-S56 VanDerWaalsContact OD1-N 3.08Å; D53-S56 WeakPolarHBondContact OD2-CB 3.38Å; D53-S56 PolarHBondContact OD2-OG 3.3Å; S56-L59 PolarHBondContact O-N 2.66Å; S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 WeakPolarHBondContact O-CD1 3.47Å; S56-L60 WeakPolarHBondContact O-CG 3.35Å; S56-L60 PolarHBondContact O-N 2.84Å
57F92Very high87.6Confident2 Ų239.2 Ų39.21%0.00921%0.208CC..Hα-helixtrans-57-52.3176.8176.5-87.7000111.3L45 I49 D53 Y54 E55 L59 L60 I61 L89 N92 V93 A96L45-F57 HydrophobicContact CD1-CD2 3.52Å; L45-F57 HydrophobicContact CD1-CE2 3.73Å; L45-F57 HydrophobicContact CD1-CG 4.26Å; L45-F57 HydrophobicContact CD2-CE2 4.49Å; L45-F57 HydrophobicContact CG-CD2 4.27Å; L45-F57 HydrophobicContact CG-CE2 4.21Å; I49-F57 HydrophobicContact CD1-CD2 4.03Å; I49-F57 HydrophobicContact CD1-CE2 3.86Å; I49-F57 HydrophobicContact CG1-CD2 3.66Å; I49-F57 HydrophobicContact CG1-CE2 3.99Å; D53-F57 WeakPolarHBondContact O-CB 3.21Å; D53-F57 PolarHBondContact O-N 3.11Å; Y54-F57 PolarHBondContact O-N 2.7Å; E55-F57 VanDerWaalsContact C-N 3.29Å; E55-F57 PolarHBondContact O-N 2.74Å; F57-L59 VanDerWaalsContact C-N 3.35Å; F57-L59 PolarHBondContact O-N 3.01Å; F57-L60 PolarHBondContact O-N 3.45Å; F57-I61 HydrophobicContact CD1-CG1 4.17Å; F57-I61 HydrophobicContact CE1-CD1 4.46Å; F57-I61 HydrophobicContact CE1-CG1 3.67Å; F57-I61 HydrophobicContact CE2-CD1 4.42Å; F57-I61 HydrophobicContact CE2-CG1 4.27Å; F57-I61 HydrophobicContact CZ-CD1 4.06Å; F57-I61 HydrophobicContact CZ-CG1 3.76Å; F57-I61 WeakPolarHBondContact O-CG1 3.29Å; F57-I61 PolarHBondContact O-N 3.44Å; F57-L89 HydrophobicContact CB-CD1 3.73Å; F57-L89 HydrophobicContact CD1-CD1 4.17Å; F57-L89 HydrophobicContact CD2-CD1 3.94Å; F57-L89 HydrophobicContact CG-CD1 3.66Å; F57-N92 HydrophobicContact CD1-CB 4.15Å; F57-N92 HydrophobicContact CE1-CB 3.59Å; F57-N92 HydrophobicContact CZ-CB 4.33Å; F57-V93 HydrophobicContact CD2-CG2 4.32Å; F57-V93 HydrophobicContact CE2-CG2 3.7Å; F57-V93 HydrophobicContact CZ-CG2 4.02Å; F57-A96 HydrophobicContact CE1-CB 4.46Å; F57-A96 HydrophobicContact CZ-CB 4.04Å
58N91.1Very high86.2Confident47 Ų4743 Ų4325%0.25123%0.228SC..Hα-helixtrans-62.8-40.6-179.2-72.5-25.6000112.5Y54 E55 I61 S62 N92Y54-N58 WeakPolarHBondContact CE1-ND2 3.38Å; Y54-N58 PolarHBondContact O-N 3.41Å; Y54-N58 VanDerWaalsContact O-N 3.16Å; Y54-N58 PolarHBondContact O-ND2 3.1Å; Y54-N58 PolarHBondContact OH-ND2 2.85Å; E55-N58 PolarHBondContact O-N 3.21Å; N58-I61 PolarHBondContact O-N 2.67Å; N58-S62 WeakPolarHBondContact O-CB 3.3Å; N58-S62 PolarHBondContact O-N 3.13Å; N58-S62 PolarHBondContact O-OG 2.88Å; N58-N92 PolarHBondContact OD1-ND2 3.4Å
59L92.5Very high84.8Confident38 Ų3843.5 Ų43.520%0.19923%0.23CC..Hα-helixtrans-61.6-44.1176.1-73.9172000111.7W12 V15 K16 I19 E55 S56 F57 S62 A63W12-L59 HydrophobicContact CB-CD1 4.24Å; W12-L59 HydrophobicContact CE3-CD1 4.15Å; W12-L59 WeakPolarHBondContact O-CD1 3.31Å; V15-L59 HydrophobicContact CG1-CB 4.39Å; K16-L59 HydrophobicContact CB-CD1 3.87Å; I19-L59 HydrophobicContact CD1-CB 3.97Å; E55-L59 WeakPolarHBondContact O-CG 3.25Å; E55-L59 PolarHBondContact O-N 3.43Å; S56-L59 PolarHBondContact O-N 2.66Å; F57-L59 VanDerWaalsContact C-N 3.35Å; F57-L59 PolarHBondContact O-N 3.01Å; L59-S62 PolarHBondContact O-N 3.22Å; L59-S62 PolarHBondContact O-OG 3.22Å; L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3.15Å
60L91.8Very high83.2Confident0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-66.1-44179.6-71164.2000111.7L3 V15 I19 V34 A44 L45 S56 F57 S62 A63 G64 A65L3-L60 HydrophobicContact CD1-CD2 4.05Å; L3-L60 HydrophobicContact CD2-CD2 3.96Å; L3-L60 HydrophobicContact CG-CD2 4.21Å; V15-L60 HydrophobicContact CG1-CD1 4.4Å; V15-L60 HydrophobicContact CG1-CD2 4.05Å; V15-L60 HydrophobicContact CG1-CG 3.94Å; I19-L60 HydrophobicContact CD1-CD2 4.16Å; V34-L60 HydrophobicContact CG1-CD2 4.04Å; A44-L60 HydrophobicContact CB-CD1 4.13Å; A44-L60 HydrophobicContact CB-CD2 3.87Å; A44-L60 WeakPolarHBondContact O-CD1 3.28Å; L45-L60 HydrophobicContact CD1-CB 3.8Å; L45-L60 HydrophobicContact CD1-CD1 4.42Å; S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 WeakPolarHBondContact O-CD1 3.47Å; S56-L60 WeakPolarHBondContact O-CG 3.35Å; S56-L60 PolarHBondContact O-N 2.84Å; F57-L60 PolarHBondContact O-N 3.45Å; L60-S62 VanDerWaalsContact C-N 3.35Å; L60-S62 PolarHBondContact O-N 2.75Å; L60-A63 PolarHBondContact O-N 2.73Å; L60-A63 VanDerWaalsContact O-N 3.13Å; L60-G64 PolarHBondContact O-N 2.84Å; L60-A65 HydrophobicContact CB-CB 4.17Å; L60-A65 WeakPolarHBondContact O-CB 3.38Å; L60-A65 PolarHBondContact O-N 2.95Å
61I89Confident81.4Confident52 Ų5251.4 Ų51.427%0.26727%0.272SS..Hα-helixtrans-58.3-47.5173.1-68.2-60.8000110.6L45 F57 N58 A63 G64 A65 A96L45-I61 HydrophobicContact CD1-CD1 3.88Å; L45-I61 HydrophobicContact CD1-CG1 4.01Å; L45-I61 HydrophobicContact CD2-CD1 3.74Å; L45-I61 HydrophobicContact CG-CD1 4.49Å; F57-I61 HydrophobicContact CD1-CG1 4.17Å; F57-I61 HydrophobicContact CE1-CD1 4.46Å; F57-I61 HydrophobicContact CE1-CG1 3.67Å; F57-I61 HydrophobicContact CE2-CD1 4.42Å; F57-I61 HydrophobicContact CE2-CG1 4.27Å; F57-I61 HydrophobicContact CZ-CD1 4.06Å; F57-I61 HydrophobicContact CZ-CG1 3.76Å; F57-I61 WeakPolarHBondContact O-CG1 3.29Å; F57-I61 PolarHBondContact O-N 3.44Å; N58-I61 PolarHBondContact O-N 2.67Å; I61-A63 PolarHBondContact O-N 3.03Å; I61-A63 VanDerWaalsContact O-N 3.17Å; I61-G64 PolarHBondContact O-N 2.87Å; I61-A65 HydrophobicContact CD1-CB 4.49Å; I61-A65 WeakPolarHBondContact CD1-O 3.36Å; I61-A96 HydrophobicContact CD1-CB 3.95Å; I61-A96 HydrophobicContact CG1-CB 4.33Å
62S88.4Confident79.8Confident94 Ų9446.5 Ų46.566%0.65725%0.251SS*.Hα-helixtrans-61.8-25.3178.276.60000113.5N58 L59 L60 G64N58-S62 WeakPolarHBondContact O-CB 3.3Å; N58-S62 PolarHBondContact O-N 3.13Å; N58-S62 PolarHBondContact O-OG 2.88Å; L59-S62 PolarHBondContact O-N 3.22Å; L59-S62 PolarHBondContact O-OG 3.22Å; L60-S62 VanDerWaalsContact C-N 3.35Å; L60-S62 PolarHBondContact O-N 2.75Å; S62-G64 VanDerWaalsContact C-N 3.27Å; S62-G64 PolarHBondContact O-N 3.23Å
63A88.7Confident78.1Confident11 Ų1151.6 Ų51.69%0.09128%0.276CS..THydrogen-bonded Turntrans-85.2617600000113.7I19 V34 L59 L60 I61I19-A63 HydrophobicContact CD1-CB 4.01Å; I19-A63 HydrophobicContact CG1-CB 4.24Å; I19-A63 HydrophobicContact CG2-CB 3.78Å; V34-A63 HydrophobicContact CG2-CB 4.16Å; L59-A63 WeakPolarHBondContact O-CB 3.46Å; L59-A63 PolarHBondContact O-N 3.15Å; L60-A63 PolarHBondContact O-N 2.73Å; L60-A63 VanDerWaalsContact O-N 3.13Å; I61-A63 PolarHBondContact O-N 3.03Å; I61-A63 VanDerWaalsContact O-N 3.17Å
64G84.8Confident76.6Confident24 Ų2455.2 Ų55.225%0.24730%0.295CS..THydrogen-bonded Turntrans87.821.9178.100000114.4R35 L60 I61 S62 E66R35-G64 PolarHBondContact NE-O 2.96Å; R35-G64 PolarHBondContact NH2-O 3.41Å; L60-G64 PolarHBondContact O-N 2.84Å; I61-G64 PolarHBondContact O-N 2.87Å; S62-G64 VanDerWaalsContact C-N 3.27Å; S62-G64 PolarHBondContact O-N 3.23Å; G64-E66 PolarHBondContact O-N 3.39Å
65A81Confident75.3Confident3 Ų354.5 Ų54.53%0.02530%0.298CS..  trans-62.1103.6165.400000109V34 L45 L60 I61V34-A65 HydrophobicContact CG1-CB 3.51Å; L45-A65 HydrophobicContact CB-CB 4.28Å; L45-A65 HydrophobicContact CD1-CB 4.29Å; L45-A65 HydrophobicContact CD2-CB 4.04Å; L45-A65 HydrophobicContact CG-CB 4.45Å; L60-A65 HydrophobicContact CB-CB 4.17Å; L60-A65 WeakPolarHBondContact O-CB 3.38Å; L60-A65 PolarHBondContact O-N 2.95Å; I61-A65 HydrophobicContact CD1-CB 4.49Å; I61-A65 WeakPolarHBondContact CD1-O 3.36Å
66E68.4Low74.3Confident130 Ų13050.7 Ų50.761%0.60728%0.281SS*.  trans-120.2118.1164.2-58.3166.617000105.4R35 G64R35-E66 WeakPolarHBondContact CD-O 3.35Å; R35-E66 IonicContact CZ-OE2 2.71Å; R35-E66 PolarHBondContact NE-O 2.89Å; R35-E66 IonicContact NH1-OE2 3.1Å; R35-E66 PolarHBondContact NH1-OE2 2.87Å; R35-E66 VanDerWaalsContact NH2-CG 3.31Å; R35-E66 IonicContact NH2-OE1 3.32Å; R35-E66 IonicContact NH2-OE2 3.18Å; R35-E66 PolarHBondContact NH2-OE2 2.82Å; G64-E66 PolarHBondContact O-N 3.39Å
67T61.1Low73.6Confident21 Ų2150.9 Ų50.913%0.12928%0.283CS..  trans-121.2121.2173.55.80000109.5D43 Y69D43-T67 WeakPolarHBondContact OD2-CB 3.24Å; D43-T67 WeakPolarHBondContact OD2-CG2 3.31Å; D43-T67 PolarHBondContact OD2-OG1 3.13Å; T67-Y69 VanDerWaalsContact CB-CE2 3.41Å; T67-Y69 HydrophobicContact CG2-CE1 4.43Å; T67-Y69 WeakPolarHBondContact O-CD2 3.04Å; T67-Y69 WeakPolarHBondContact O-CE2 2.99Å; T67-Y69 PolarHBondContact O-N 3.01Å; T67-Y69 VanDerWaalsContact OG1-CE2 3.31Å; T67-Y69 WeakPolarHBondContact OG1-CE2 3.45Å; T67-Y69 PolarHBondContact OG1-OH 3.41Å
68D59Low73.2Confident82 Ų8251 Ų5144%0.43928%0.283SS..  trans-76.9102170-178.2-9.3000108.3R70D68-R70 VanDerWaalsContact C-N 3.27Å; D68-R70 VanDerWaalsContact CG-NE 3.28Å; D68-R70 PolarHBondContact O-N 2.94Å; D68-R70 WeakPolarHBondContact OD1-CB 3.31Å; D68-R70 WeakPolarHBondContact OD1-CD 3.23Å; D68-R70 WeakPolarHBondContact OD1-CG 3.49Å; D68-R70 IonicContact OD1-CZ 2.74Å; D68-R70 PolarHBondContact OD1-N 3.16Å; D68-R70 IonicContact OD1-NE 3.37Å; D68-R70 PolarHBondContact OD1-NE 3.2Å; D68-R70 IonicContact OD2-CZ 3.64Å; D68-R70 VanDerWaalsContact OD2-CZ 3.23Å; D68-R70 IonicContact OD2-NE 2.79Å; D68-R70 PolarHBondContact OD2-NE 3.5Å; D68-R70 IonicContact OD2-NH2 3.62Å; D68-R70 PolarHBondContact OD2-NH2 2.93Å
69Y62.1Low72.9Confident11 Ų1149.8 Ų49.84%0.04328%0.278CS..G310 helixtrans-87.59.5-178.2-65.5-75.9000113.3D43 T46 T67 C71 M72 P77 L97D43-Y69 PolarHBondContact OD1-OH 3.1Å; D43-Y69 PolarHBondContact OD2-OH 3.42Å; T46-Y69 VanDerWaalsContact OG1-CE1 3.31Å; T46-Y69 WeakPolarHBondContact OG1-CE1 3.39Å; T46-Y69 PolarHBondContact OG1-OH 2.87Å; T67-Y69 VanDerWaalsContact CB-CE2 3.41Å; T67-Y69 HydrophobicContact CG2-CE1 4.43Å; T67-Y69 WeakPolarHBondContact O-CD2 3.04Å; T67-Y69 WeakPolarHBondContact O-CE2 2.99Å; T67-Y69 PolarHBondContact O-N 3.01Å; T67-Y69 VanDerWaalsContact OG1-CE2 3.31Å; T67-Y69 WeakPolarHBondContact OG1-CE2 3.45Å; T67-Y69 PolarHBondContact OG1-OH 3.41Å; Y69-C71 PolarHBondContact O-N 3.14Å; Y69-C71 VanDerWaalsContact O-N 3.11Å; Y69-M72 HydrophobicContact CD1-CG 3.9Å; Y69-P77 HydrophobicContact CD1-CG 3.23Å; Y69-P77 HydrophobicContact CD2-CG 3.65Å; Y69-P77 HydrophobicContact CE1-CG 3.14Å; Y69-P77 HydrophobicContact CE2-CB 4.5Å; Y69-P77 HydrophobicContact CE2-CG 3.54Å; Y69-P77 HydrophobicContact CG-CG 3.48Å; Y69-P77 VanDerWaalsContact CG-CG 3.48Å; Y69-L97 HydrophobicContact CD2-CB 4.42Å; Y69-L97 HydrophobicContact CD2-CD1 3.79Å; Y69-L97 HydrophobicContact CD2-CD2 4.14Å; Y69-L97 HydrophobicContact CD2-CG 4.35Å; Y69-L97 HydrophobicContact CE2-CD1 3.49Å; Y69-L97 VanDerWaalsContact CE2-CD1 3.49Å; Y69-L97 HydrophobicContact CE2-CD2 3.66Å; Y69-L97 HydrophobicContact CE2-CG 4.12Å
70R57.1Low72.5Confident121 Ų12148.4 Ų48.446%0.45727%0.272SS..G310 helixtrans-59.7-26.2-179.5-64.4-179.9-68.2-169.51.2112.7D68 D98 N100D68-R70 VanDerWaalsContact C-N 3.27Å; D68-R70 VanDerWaalsContact CG-NE 3.28Å; D68-R70 PolarHBondContact O-N 2.94Å; D68-R70 WeakPolarHBondContact OD1-CB 3.31Å; D68-R70 WeakPolarHBondContact OD1-CD 3.23Å; D68-R70 WeakPolarHBondContact OD1-CG 3.49Å; D68-R70 IonicContact OD1-CZ 2.74Å; D68-R70 PolarHBondContact OD1-N 3.16Å; D68-R70 IonicContact OD1-NE 3.37Å; D68-R70 PolarHBondContact OD1-NE 3.2Å; D68-R70 IonicContact OD2-CZ 3.64Å; D68-R70 VanDerWaalsContact OD2-CZ 3.23Å; D68-R70 IonicContact OD2-NE 2.79Å; D68-R70 PolarHBondContact OD2-NE 3.5Å; D68-R70 IonicContact OD2-NH2 3.62Å; D68-R70 PolarHBondContact OD2-NH2 2.93Å; R70-D98 IonicContact CZ-OD2 3.84Å; R70-D98 IonicContact NE-OD2 3.87Å; R70-D98 IonicContact NH1-OD2 2.68Å; R70-N100 HydrophobicContact CB-CB 4.4Å; R70-N100 HydrophobicContact CG-CB 4.14Å
71C49.6Very low72.4Confident105 Ų10548.4 Ų48.471%0.70927%0.272SS*.G310 helixtrans-123.516.8-170.1-60.90000116.6Y69Y69-C71 PolarHBondContact O-N 3.14Å; Y69-C71 VanDerWaalsContact O-N 3.11Å
72M56.5Low72.4Confident14 Ų1445.9 Ų45.97%0.06926%0.259CS..  trans-86.3112.3-175.6-76.7-71-7100115.6K37 G41 Y69 D74 R103K37-M72 VanDerWaalsContact CE-SD 3.54Å; K37-M72 PolarHBondContact NZ-SD 3.32Å; G41-M72 WeakPolarHBondContact O-CE 3.48Å; Y69-M72 HydrophobicContact CD1-CG 3.9Å; M72-D74 PolarHBondContact O-N 3.3Å; M72-R103 VanDerWaalsContact C-CZ 3.48Å; M72-R103 VanDerWaalsContact C-NH2 3.27Å; M72-R103 PolarHBondContact O-NH1 3.45Å; M72-R103 VanDerWaalsContact O-NH1 3.16Å; M72-R103 PolarHBondContact O-NH2 2.87Å
73D56.1Low72.3Confident144 Ų14444.6 Ų44.677%0.7725%0.25SC*.SBendtrans-69.9-22.9-176.9-71.7-21.5000116.8R103D73-R103 IonicContact OD1-NH2 3.92Å; D73-R103 PolarHBondContact OD1-NH2 3.33Å
74D62.2Low72.3Confident93 Ų9345.7 Ų45.750%0.49725%0.253SS..SBendtrans-77.4-67.3-168.2-65-48.8000114.1M72M72-D74 PolarHBondContact O-N 3.3Å
75V62.7Low72.5Confident60 Ų6049.6 Ų49.636%0.36427%0.268SS..  trans-157.8124.8170178.20000107.8V79V75-V79 HydrophobicContact CG1-CB 3.83Å; V75-V79 HydrophobicContact CG1-CG1 3.53Å
76P72.8Confident73Confident12 Ų1251.1 Ų51.18%0.07828%0.276CS..  trans-61.7140.6175.8-24.435000111.9L78 V79 A80 L104P76-L78 VanDerWaalsContact C-N 3.25Å; P76-L78 PolarHBondContact O-N 2.87Å; P76-L78 VanDerWaalsContact O-N 3.16Å; P76-V79 HydrophobicContact CB-CG2 4.17Å; P76-V79 HydrophobicContact CG-CG2 4.21Å; P76-V79 VanDerWaalsContact O-CB 3.28Å; P76-V79 WeakPolarHBondContact O-CB 3.41Å; P76-V79 PolarHBondContact O-N 3.49Å; P76-A80 PolarHBondContact O-N 3.39Å; P76-L104 HydrophobicContact CB-CD2 3.58Å; P76-L104 HydrophobicContact CG-CD2 3.94Å
77P78.7Confident74Confident5 Ų546.9 Ų46.93%0.03226%0.259CS..Hα-helixtrans-60-32.5-177-2127.2000114.6I49 Y69 V79 A80 A81 L97I49-P77 HydrophobicContact CD1-CB 3.52Å; I49-P77 HydrophobicContact CD1-CG 4.49Å; I49-P77 WeakPolarHBondContact CG2-O 3.5Å; Y69-P77 HydrophobicContact CD1-CG 3.23Å; Y69-P77 HydrophobicContact CD2-CG 3.65Å; Y69-P77 HydrophobicContact CE1-CG 3.14Å; Y69-P77 HydrophobicContact CE2-CB 4.5Å; Y69-P77 HydrophobicContact CE2-CG 3.54Å; Y69-P77 HydrophobicContact CG-CG 3.48Å; Y69-P77 VanDerWaalsContact CG-CG 3.48Å; P77-V79 VanDerWaalsContact C-N 3.27Å; P77-V79 PolarHBondContact O-N 3.32Å; P77-A80 WeakPolarHBondContact O-CB 3.34Å; P77-A80 PolarHBondContact O-N 2.86Å; P77-A81 PolarHBondContact O-N 3.39Å; P77-L97 HydrophobicContact CB-CD1 4.27Å; P77-L97 HydrophobicContact CG-CD1 4.45Å
78L83.2Confident75.5Confident4 Ų453.2 Ų53.22%0.02129%0.285CS..Hα-helixtrans-65-32.6175.3-169.568.5000111.9P76 A80 A81 L82 T90 V93 L94 I99 F101 L104P76-L78 VanDerWaalsContact C-N 3.25Å; P76-L78 PolarHBondContact O-N 2.87Å; P76-L78 VanDerWaalsContact O-N 3.16Å; L78-A80 VanDerWaalsContact C-N 3.35Å; L78-A81 PolarHBondContact O-N 3.09Å; L78-L82 HydrophobicContact CD1-CG 4.28Å; L78-L82 HydrophobicContact CD2-CD1 4.14Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 HydrophobicContact CG-CG 4.07Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.99Å; L78-T90 HydrophobicContact CD1-CG2 3.82Å; L78-V93 HydrophobicContact CD1-CG1 3.96Å; L78-L94 HydrophobicContact CD1-CD2 3.77Å; L78-L94 HydrophobicContact CD1-CG 4.03Å; L78-L94 HydrophobicContact CD2-CD2 3.97Å; L78-I99 HydrophobicContact CB-CD1 4.45Å; L78-I99 HydrophobicContact CD1-CD1 4.39Å; L78-I99 HydrophobicContact CD2-CD1 4.29Å; L78-I99 HydrophobicContact CD2-CG2 4.2Å; L78-F101 HydrophobicContact CD2-CE1 3.89Å; L78-L104 HydrophobicContact CB-CD1 4.2Å; L78-L104 HydrophobicContact CB-CD2 4.35Å; L78-L104 HydrophobicContact CD2-CD1 3.57Å; L78-L104 HydrophobicContact CG-CD1 4.44Å
79V84.8Confident77.1Confident21 Ų2149.3 Ų49.313%0.12726%0.264CS..Hα-helixtrans-61.3-46.4173.81630000110V75 P76 P77 S83 L104 D107 L112V75-V79 HydrophobicContact CG1-CB 3.83Å; V75-V79 HydrophobicContact CG1-CG1 3.53Å; P76-V79 HydrophobicContact CB-CG2 4.17Å; P76-V79 HydrophobicContact CG-CG2 4.21Å; P76-V79 VanDerWaalsContact O-CB 3.28Å; P76-V79 WeakPolarHBondContact O-CB 3.41Å; P76-V79 PolarHBondContact O-N 3.49Å; P77-V79 VanDerWaalsContact C-N 3.27Å; P77-V79 PolarHBondContact O-N 3.32Å; V79-S83 WeakPolarHBondContact O-CB 3.43Å; V79-S83 PolarHBondContact O-N 2.71Å; V79-S83 VanDerWaalsContact O-N 3.16Å; V79-S83 PolarHBondContact O-OG 2.89Å; V79-L104 HydrophobicContact CG2-CD2 3.68Å; V79-D107 HydrophobicContact CG2-CB 3.85Å; V79-L112 HydrophobicContact CB-CD1 4.07Å; V79-L112 HydrophobicContact CG1-CD1 3.61Å; V79-L112 HydrophobicContact CG2-CD1 3.91Å
80A84.5Confident78.5Confident9 Ų948.8 Ų48.87%0.07426%0.262CS..Hα-helixtrans-61.8-45.8175.600000111.9I49 E50 P76 P77 L78 S83 Q84I49-A80 HydrophobicContact CG2-CB 4.06Å; E50-A80 HydrophobicContact CG-CB 3.97Å; P76-A80 PolarHBondContact O-N 3.39Å; P77-A80 WeakPolarHBondContact O-CB 3.34Å; P77-A80 PolarHBondContact O-N 2.86Å; L78-A80 VanDerWaalsContact C-N 3.35Å; A80-S83 PolarHBondContact O-N 3.31Å; A80-S83 PolarHBondContact O-OG 3.32Å; A80-Q84 WeakPolarHBondContact O-CG 3.27Å
81A89Confident80.2Confident0 Ų043.9 Ų43.90%025%0.247CC..Hα-helixtrans-63.8-42.4-179.800000113.1I49 P77 L78 S83 Q84 T90 V93 Y124I49-A81 HydrophobicContact CG2-CB 3.82Å; P77-A81 PolarHBondContact O-N 3.39Å; L78-A81 PolarHBondContact O-N 3.09Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 3.13Å; A81-Q84 PolarHBondContact O-N 2.91Å; A81-T90 HydrophobicContact CB-CG2 4.08Å; A81-T90 PolarHBondContact O-OG1 3.2Å; A81-V93 HydrophobicContact CB-CG1 4.43Å; A81-V93 HydrophobicContact CB-CG2 4.35Å; A81-Y124 PolarHBondContact O-OH 3.05Å
82L90.4Very high82Confident0 Ų040.7 Ų40.70%022%0.223CC..Hα-helixtrans-68.5-30.5179.1-74.1171.9000112.9L78 Q84 T90 Y109 L112 A113 H115 Y124 L128L78-L82 HydrophobicContact CD1-CG 4.28Å; L78-L82 HydrophobicContact CD2-CD1 4.14Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 HydrophobicContact CG-CG 4.07Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.99Å; L82-Q84 PolarHBondContact O-N 3.42Å; L82-T90 HydrophobicContact CD2-CG2 4.09Å; L82-T90 HydrophobicContact CG-CG2 4.49Å; L82-Y109 HydrophobicContact CD1-CD2 4.23Å; L82-L112 HydrophobicContact CB-CB 4.26Å; L82-A113 HydrophobicContact CD2-CB 4.22Å; L82-H115 PolarHBondContact O-CE1 3.46Å; L82-H115 PolarHBondContact O-NE2 3.37Å; L82-Y124 HydrophobicContact CD2-CD1 3.63Å; L82-Y124 HydrophobicContact CD2-CE1 3.99Å; L82-Y124 HydrophobicContact CD2-CG 4.34Å; L82-L128 HydrophobicContact CD2-CD1 4.39Å; L82-L128 HydrophobicContact CD2-CD2 4.39Å
83S86.6Confident83.5Confident67 Ų6740 Ų4047%0.46922%0.219SC..THydrogen-bonded Turntrans-72.9-6179.672.80000114.5V79 A80 A81V79-S83 WeakPolarHBondContact O-CB 3.43Å; V79-S83 PolarHBondContact O-N 2.71Å; V79-S83 VanDerWaalsContact O-N 3.16Å; V79-S83 PolarHBondContact O-OG 2.89Å; A80-S83 PolarHBondContact O-N 3.31Å; A80-S83 PolarHBondContact O-OG 3.32Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 3.13Å
84Q88.3Confident85.1Confident33 Ų3334 Ų3415%0.15419%0.188CC..SBendtrans-109.8174-178.8-63.1169.86.600110.3I49 E50 S52 A80 A81 L82 H115 Y124I49-Q84 PolarHBondContact O-NE2 3.47Å; I49-Q84 PolarHBondContact O-OE1 2.93Å; E50-Q84 PolarHBondContact O-NE2 3.48Å; E50-Q84 VanDerWaalsContact O-NE2 3.11Å; S52-Q84 VanDerWaalsContact CA-OE1 3.23Å; S52-Q84 PolarHBondContact OG-OE1 3.26Å; A80-Q84 WeakPolarHBondContact O-CG 3.27Å; A81-Q84 PolarHBondContact O-N 2.91Å; L82-Q84 PolarHBondContact O-N 3.42Å; Q84-H115 PolarHBondContact O-CE1 2.79Å; Q84-H115 PolarHBondContact O-NE2 3.25Å; Q84-Y124 WeakPolarHBondContact O-CE2 3.47Å; Q84-Y124 PolarHBondContact O-OH 3.17Å
85D87.7Confident86.3Confident106 Ų10635.2 Ų35.257%0.56719%0.194SC*.SBendtrans-94.17.8178.8-63-23.2000113.1V87 H115 I120D85-V87 PolarHBondContact O-N 3.28Å; D85-H115 IonicContact OD1-CE1 2.86Å; D85-H115 IonicContact OD1-ND1 3.81Å; D85-H115 PolarHBondContact OD1-ND1 3.2Å; D85-I120 HydrophobicContact CB-CD1 4.1Å
86N91.2Very high87.3Confident36 Ų3634.6 Ų34.619%0.19320%0.195CC..  trans-91.979.1-175.2-165.6-15000112S52 K88 L89 T90 Y124S52-N86 PolarHBondContact O-ND2 3.47Å; S52-N86 WeakPolarHBondContact OG-CB 3.15Å; S52-N86 PolarHBondContact OG-ND2 2.63Å; N86-K88 PolarHBondContact O-N 3.28Å; N86-K88 PolarHBondContact OD1-N 2.95Å; N86-L89 HydrophobicContact CB-CB 4.04Å; N86-L89 VanDerWaalsContact CG-CB 3.43Å; N86-L89 PolarHBondContact O-N 2.88Å; N86-L89 PolarHBondContact OD1-N 2.79Å; N86-T90 PolarHBondContact O-N 2.98Å; N86-T90 VanDerWaalsContact O-N 3.1Å; N86-T90 PolarHBondContact O-OG1 3.48Å; N86-Y124 VanDerWaalsContact C-OH 3.26Å; N86-Y124 PolarHBondContact N-OH 2.88Å; N86-Y124 PolarHBondContact O-OH 2.84Å
87V91.2Very high87.6Confident40 Ų4034.7 Ų34.724%0.24220%0.195CC..Hα-helixtrans-58.7-34.9179.1-176.20000111.8D85 T90 A91 A123 Y124 L127D85-V87 PolarHBondContact O-N 3.28Å; V87-T90 PolarHBondContact O-N 3.06Å; V87-A91 PolarHBondContact O-N 3.45Å; V87-A123 HydrophobicContact CG1-CB 4.27Å; V87-A123 HydrophobicContact CG2-CB 3.96Å; V87-Y124 HydrophobicContact CG2-CD2 4.22Å; V87-Y124 HydrophobicContact CG2-CE1 4.27Å; V87-Y124 HydrophobicContact CG2-CE2 3.85Å; V87-Y124 PolarHBondContact N-OH 3.06Å; V87-L127 HydrophobicContact CG1-CD2 4.09Å
88K91.9Very high87.5Confident155 Ų15539 Ų3967%0.67422%0.218SC*.Hα-helixtrans-66.5-46.8179.4-68.6-176.9-179.21790112.2Y54 N86 T90 A91 N92Y54-K88 HydrophobicContact CD2-CB 4.46Å; Y54-K88 HydrophobicContact CE2-CB 4.32Å; N86-K88 PolarHBondContact O-N 3.28Å; N86-K88 PolarHBondContact OD1-N 2.95Å; K88-T90 VanDerWaalsContact C-N 3.25Å; K88-T90 PolarHBondContact O-N 3.44Å; K88-A91 WeakPolarHBondContact O-CB 3.27Å; K88-A91 PolarHBondContact O-N 2.85Å; K88-N92 PolarHBondContact O-N 3.24Å; K88-N92 PolarHBondContact O-OD1 2.93Å
89L91.9Very high87.2Confident0 Ų040 Ų400%022%0.222CC..Hα-helixtrans-58.5-43173.817363.3000110.7Y54 F57 N86 A91 N92 V93Y54-L89 HydrophobicContact CD2-CB 4.3Å; F57-L89 HydrophobicContact CB-CD1 3.73Å; F57-L89 HydrophobicContact CD1-CD1 4.17Å; F57-L89 HydrophobicContact CD2-CD1 3.94Å; F57-L89 HydrophobicContact CG-CD1 3.66Å; N86-L89 HydrophobicContact CB-CB 4.04Å; N86-L89 VanDerWaalsContact CG-CB 3.43Å; N86-L89 PolarHBondContact O-N 2.88Å; N86-L89 PolarHBondContact OD1-N 2.79Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.17Å; L89-N92 PolarHBondContact O-N 2.86Å; L89-V93 HydrophobicContact CD1-CG2 4.25Å; L89-V93 HydrophobicContact CG-CG2 4.39Å; L89-V93 VanDerWaalsContact O-CG2 3.27Å; L89-V93 WeakPolarHBondContact O-CG2 3Å; L89-V93 PolarHBondContact O-N 2.97Å
90T92Very high86.9Confident0 Ų041.7 Ų41.70%023%0.231CC..Hα-helixtrans-65.3-36.6-179.7-51.70000112.5L78 A81 L82 N86 V87 K88 V93 L94 Y124 L127L78-T90 HydrophobicContact CD1-CG2 3.82Å; A81-T90 HydrophobicContact CB-CG2 4.08Å; A81-T90 PolarHBondContact O-OG1 3.2Å; L82-T90 HydrophobicContact CD2-CG2 4.09Å; L82-T90 HydrophobicContact CG-CG2 4.49Å; N86-T90 PolarHBondContact O-N 2.98Å; N86-T90 VanDerWaalsContact O-N 3.1Å; N86-T90 PolarHBondContact O-OG1 3.48Å; V87-T90 PolarHBondContact O-N 3.06Å; K88-T90 VanDerWaalsContact C-N 3.25Å; K88-T90 PolarHBondContact O-N 3.44Å; T90-V93 WeakPolarHBondContact O-CB 3.46Å; T90-V93 PolarHBondContact O-N 3.31Å; T90-L94 HydrophobicContact CG2-CD1 4.49Å; T90-L94 WeakPolarHBondContact O-CG 3.07Å; T90-L94 PolarHBondContact O-N 3.21Å; T90-Y124 HydrophobicContact CG2-CD1 4.25Å; T90-Y124 HydrophobicContact CG2-CE1 3.77Å; T90-Y124 WeakPolarHBondContact OG1-CE1 3.27Å; T90-Y124 PolarHBondContact OG1-OH 3.17Å; T90-L127 HydrophobicContact CG2-CD2 4.07Å
91A91.8Very high86.8Confident18 Ų1843.3 Ų43.315%0.14924%0.236CC..Hα-helixtrans-58.8-50.5172.700000110.8V87 K88 L89 V93 L94 D95 L127V87-A91 PolarHBondContact O-N 3.45Å; K88-A91 WeakPolarHBondContact O-CB 3.27Å; K88-A91 PolarHBondContact O-N 2.85Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.17Å; A91-V93 VanDerWaalsContact C-N 3.28Å; A91-V93 PolarHBondContact O-N 3.31Å; A91-L94 WeakPolarHBondContact O-CB 3.5Å; A91-L94 PolarHBondContact O-N 3.44Å; A91-D95 PolarHBondContact O-N 3.1Å; A91-L127 HydrophobicContact CB-CD1 3.63Å; A91-L127 HydrophobicContact CB-CD2 4.11Å
92N88.8Confident86.4Confident37 Ų3749.8 Ų49.820%0.19827%0.265CS..Hα-helixtrans-64.3-32.8178.3-69.118.6000112.9Y54 F57 N58 K88 L89 L94 D95 A96Y54-N92 WeakPolarHBondContact CE2-ND2 3.5Å; Y54-N92 PolarHBondContact OH-ND2 3Å; F57-N92 HydrophobicContact CD1-CB 4.15Å; F57-N92 HydrophobicContact CE1-CB 3.59Å; F57-N92 HydrophobicContact CZ-CB 4.33Å; N58-N92 PolarHBondContact OD1-ND2 3.4Å; K88-N92 PolarHBondContact O-N 3.24Å; K88-N92 PolarHBondContact O-OD1 2.93Å; L89-N92 PolarHBondContact O-N 2.86Å; N92-L94 VanDerWaalsContact C-N 3.35Å; N92-D95 PolarHBondContact O-N 3.37Å; N92-A96 WeakPolarHBondContact O-CB 3.44Å; N92-A96 PolarHBondContact O-N 3.19Å
93V88.3Confident85.8Confident0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-62.8-42173166.50000110.7I49 F57 L78 A81 L89 T90 A91 L97I49-V93 HydrophobicContact CD1-CG2 3.8Å; I49-V93 HydrophobicContact CG1-CG2 3.94Å; I49-V93 HydrophobicContact CG2-CG2 4.41Å; F57-V93 HydrophobicContact CD2-CG2 4.32Å; F57-V93 HydrophobicContact CE2-CG2 3.7Å; F57-V93 HydrophobicContact CZ-CG2 4.02Å; L78-V93 HydrophobicContact CD1-CG1 3.96Å; A81-V93 HydrophobicContact CB-CG1 4.43Å; A81-V93 HydrophobicContact CB-CG2 4.35Å; L89-V93 HydrophobicContact CD1-CG2 4.25Å; L89-V93 HydrophobicContact CG-CG2 4.39Å; L89-V93 VanDerWaalsContact O-CG2 3.27Å; L89-V93 WeakPolarHBondContact O-CG2 3Å; L89-V93 PolarHBondContact O-N 2.97Å; T90-V93 WeakPolarHBondContact O-CB 3.46Å; T90-V93 PolarHBondContact O-N 3.31Å; A91-V93 VanDerWaalsContact C-N 3.28Å; A91-V93 PolarHBondContact O-N 3.31Å; V93-L97 HydrophobicContact CG1-CD1 3.91Å; V93-L97 WeakPolarHBondContact O-CB 3.09Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 2.94Å
94L88.5Confident85.4Confident19 Ų1949.4 Ų49.410%0.09925%0.253CS..Hα-helixtrans-68.5-36176-68.4165.5000112.4L78 T90 A91 N92 I99 F101 L127 L128 H131 V133L78-L94 HydrophobicContact CD1-CD2 3.77Å; L78-L94 HydrophobicContact CD1-CG 4.03Å; L78-L94 HydrophobicContact CD2-CD2 3.97Å; T90-L94 HydrophobicContact CG2-CD1 4.49Å; T90-L94 WeakPolarHBondContact O-CG 3.07Å; T90-L94 PolarHBondContact O-N 3.21Å; A91-L94 WeakPolarHBondContact O-CB 3.5Å; A91-L94 PolarHBondContact O-N 3.44Å; N92-L94 VanDerWaalsContact C-N 3.35Å; L94-I99 HydrophobicContact CD2-CD1 3.74Å; L94-F101 HydrophobicContact CD2-CE1 4.3Å; L94-F101 HydrophobicContact CD2-CZ 4.13Å; L94-L127 HydrophobicContact CD1-CD2 3.9Å; L94-L127 HydrophobicContact CD1-CG 3.86Å; L94-L128 HydrophobicContact CD1-CD2 4.22Å; L94-H131 HydrophobicContact CD1-CB 4.31Å; L94-V133 HydrophobicContact CD2-CG2 4.26Å
95D87.5Confident85.2Confident117 Ų11751 Ų5163%0.62626%0.258SS*.Hα-helixtrans-73.6-37.9178.8-73.5-36.5000112.9A91 N92 H131A91-D95 PolarHBondContact O-N 3.1Å; N92-D95 PolarHBondContact O-N 3.37Å; D95-H131 IonicContact OD1-CD2 2.89Å; D95-H131 IonicContact OD1-NE2 3.92Å; D95-H131 PolarHBondContact OD1-NE2 3.49Å
96A84.3Confident84.9Confident47 Ų4755.8 Ų55.839%0.38827%0.268SS..Hα-helixtrans-93.8-20.9-169.200000114.5F57 I61 N92F57-A96 HydrophobicContact CE1-CB 4.46Å; F57-A96 HydrophobicContact CZ-CB 4.04Å; I61-A96 HydrophobicContact CD1-CB 3.95Å; I61-A96 HydrophobicContact CG1-CB 4.33Å; N92-A96 WeakPolarHBondContact O-CB 3.44Å; N92-A96 PolarHBondContact O-N 3.19Å
97L79.8Confident84.6Confident14 Ų1457.2 Ų57.27%0.07328%0.276CS..SBendtrans-115.4140.3-171.2-56.7179.4000112.5L45 I49 Y69 P77 V93 I99L45-L97 HydrophobicContact CD2-CD2 3.93Å; I49-L97 HydrophobicContact CD1-CD1 4.38Å; Y69-L97 HydrophobicContact CD2-CB 4.42Å; Y69-L97 HydrophobicContact CD2-CD1 3.79Å; Y69-L97 HydrophobicContact CD2-CD2 4.14Å; Y69-L97 HydrophobicContact CD2-CG 4.35Å; Y69-L97 HydrophobicContact CE2-CD1 3.49Å; Y69-L97 VanDerWaalsContact CE2-CD1 3.49Å; Y69-L97 HydrophobicContact CE2-CD2 3.66Å; Y69-L97 HydrophobicContact CE2-CG 4.12Å; P77-L97 HydrophobicContact CB-CD1 4.27Å; P77-L97 HydrophobicContact CG-CD1 4.45Å; V93-L97 HydrophobicContact CG1-CD1 3.91Å; V93-L97 WeakPolarHBondContact O-CB 3.09Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 2.94Å; L97-I99 HydrophobicContact CB-CD1 4.48Å; L97-I99 HydrophobicContact CB-CG1 4.11Å; L97-I99 PolarHBondContact O-N 3.41Å
98D75.2Confident84.5Confident97 Ų9760.8 Ų60.852%0.51929%0.285SS..  trans-78.1108.3168-172.414.2000109.6R70R70-D98 IonicContact CZ-OD2 3.84Å; R70-D98 IonicContact NE-OD2 3.87Å; R70-D98 IonicContact NH1-OD2 2.68Å
99I77.5Confident84.3Confident23 Ų2353.6 Ų53.612%0.11825%0.253CS..  trans-105.5124.2-169.1-66.9165.7000110.9L78 L94 L97 F101 L104L78-I99 HydrophobicContact CB-CD1 4.45Å; L78-I99 HydrophobicContact CD1-CD1 4.39Å; L78-I99 HydrophobicContact CD2-CD1 4.29Å; L78-I99 HydrophobicContact CD2-CG2 4.2Å; L94-I99 HydrophobicContact CD2-CD1 3.74Å; L97-I99 HydrophobicContact CB-CD1 4.48Å; L97-I99 HydrophobicContact CB-CG1 4.11Å; L97-I99 PolarHBondContact O-N 3.41Å; I99-F101 HydrophobicContact CB-CE1 4.29Å; I99-F101 HydrophobicContact CB-CE2 4.19Å; I99-F101 HydrophobicContact CB-CZ 3.95Å; I99-F101 HydrophobicContact CG2-CD1 3.81Å; I99-F101 HydrophobicContact CG2-CD2 4.36Å; I99-F101 HydrophobicContact CG2-CE1 3.55Å; I99-F101 HydrophobicContact CG2-CE2 4.14Å; I99-F101 HydrophobicContact CG2-CG 4.21Å; I99-F101 HydrophobicContact CG2-CZ 3.73Å; I99-F101 PolarHBondContact O-N 2.95Å; I99-L104 HydrophobicContact CG2-CD1 3.23Å; I99-L104 HydrophobicContact CG2-CG 4.4Å
100N79.5Confident84.2Confident57 Ų5754.2 Ų54.231%0.30526%0.256SS..  trans-83.490.8171.3-170.4-14.5000111.9R70 F102 R103 L104R70-N100 HydrophobicContact CB-CB 4.4Å; R70-N100 HydrophobicContact CG-CB 4.14Å; N100-F102 VanDerWaalsContact C-N 3.25Å; N100-F102 PolarHBondContact O-N 3.41Å; N100-F102 WeakPolarHBondContact OD1-CB 3.45Å; N100-F102 PolarHBondContact OD1-N 2.81Å; N100-F102 VanDerWaalsContact OD1-N 3.09Å; N100-R103 HydrophobicContact CB-CB 4.19Å; N100-R103 WeakPolarHBondContact O-CB 3.25Å; N100-R103 PolarHBondContact O-N 3.28Å; N100-R103 PolarHBondContact OD1-N 3.46Å; N100-L104 PolarHBondContact O-N 3.44Å
101F82Confident84.2Confident44 Ų4456.2 Ų56.219%0.19327%0.266CS..Hα-helixtrans-65.1-24.1177.8-62.2-71.3000114.6L78 L94 I99 R103 L104 R105 V133 P134L78-F101 HydrophobicContact CD2-CE1 3.89Å; L94-F101 HydrophobicContact CD2-CE1 4.3Å; L94-F101 HydrophobicContact CD2-CZ 4.13Å; I99-F101 HydrophobicContact CB-CE1 4.29Å; I99-F101 HydrophobicContact CB-CE2 4.19Å; I99-F101 HydrophobicContact CB-CZ 3.95Å; I99-F101 HydrophobicContact CG2-CD1 3.81Å; I99-F101 HydrophobicContact CG2-CD2 4.36Å; I99-F101 HydrophobicContact CG2-CE1 3.55Å; I99-F101 HydrophobicContact CG2-CE2 4.14Å; I99-F101 HydrophobicContact CG2-CG 4.21Å; I99-F101 HydrophobicContact CG2-CZ 3.73Å; I99-F101 PolarHBondContact O-N 2.95Å; F101-R103 VanDerWaalsContact C-N 3.32Å; F101-L104 HydrophobicContact CD1-CD1 3.73Å; F101-L104 HydrophobicContact CE1-CD1 4.17Å; F101-L104 PolarHBondContact O-N 3.37Å; F101-R105 PolarHBondContact O-N 3.37Å; F101-V133 HydrophobicContact CD1-CG1 3.61Å; F101-V133 HydrophobicContact CD1-CG2 4.5Å; F101-V133 HydrophobicContact CE1-CB 4.14Å; F101-V133 HydrophobicContact CE1-CG1 3.54Å; F101-V133 HydrophobicContact CE1-CG2 3.64Å; F101-V133 HydrophobicContact CE2-CG2 4.45Å; F101-V133 HydrophobicContact CG-CG1 4.33Å; F101-V133 HydrophobicContact CZ-CB 4.37Å; F101-V133 HydrophobicContact CZ-CG1 4.23Å; F101-V133 HydrophobicContact CZ-CG2 3.62Å; F101-P134 HydrophobicContact CB-CG 3.35Å; F101-P134 HydrophobicContact CD2-CG 4.16Å; F101-P134 HydrophobicContact CG-CG 3.83Å
102F80.4Confident84.2Confident136 Ų13658 Ų5860%0.59627%0.273SS*.Hα-helixtrans-66.7-37.3174.5-177.3-93000111.5N100 R105N100-F102 VanDerWaalsContact C-N 3.25Å; N100-F102 PolarHBondContact O-N 3.41Å; N100-F102 WeakPolarHBondContact OD1-CB 3.45Å; N100-F102 PolarHBondContact OD1-N 2.81Å; N100-F102 VanDerWaalsContact OD1-N 3.09Å; F102-R105 WeakPolarHBondContact O-CB 3.43Å
103R77.3Confident84.3Confident55 Ų5556.3 Ų56.321%0.20826%0.264CS..Hα-helixtrans-65.9-52.1172.2-177.5-169.4-178.4120.718.4110.6M72 D73 N100 F101 R105 R106M72-R103 VanDerWaalsContact C-CZ 3.48Å; M72-R103 VanDerWaalsContact C-NH2 3.27Å; M72-R103 PolarHBondContact O-NH1 3.45Å; M72-R103 VanDerWaalsContact O-NH1 3.16Å; M72-R103 PolarHBondContact O-NH2 2.87Å; D73-R103 IonicContact OD1-NH2 3.92Å; D73-R103 PolarHBondContact OD1-NH2 3.33Å; N100-R103 HydrophobicContact CB-CB 4.19Å; N100-R103 WeakPolarHBondContact O-CB 3.25Å; N100-R103 PolarHBondContact O-N 3.28Å; N100-R103 PolarHBondContact OD1-N 3.46Å; F101-R103 VanDerWaalsContact C-N 3.32Å; R103-R105 PolarHBondContact O-N 3.42Å; R103-R105 VanDerWaalsContact O-N 3.08Å; R103-R106 VanDerWaalsContact O-CB 3.3Å; R103-R106 WeakPolarHBondContact O-CB 3.46Å; R103-R106 PolarHBondContact O-N 3.17Å
104L79.3Confident84.6Confident4 Ų457.5 Ų57.52%0.02127%0.27CS..Hα-helixtrans-57.3-26.4-178.2-71.5170.2000113.5P76 L78 V79 I99 N100 F101 R106 D107 R108 Y109P76-L104 HydrophobicContact CB-CD2 3.58Å; P76-L104 HydrophobicContact CG-CD2 3.94Å; L78-L104 HydrophobicContact CB-CD1 4.2Å; L78-L104 HydrophobicContact CB-CD2 4.35Å; L78-L104 HydrophobicContact CD2-CD1 3.57Å; L78-L104 HydrophobicContact CG-CD1 4.44Å; V79-L104 HydrophobicContact CG2-CD2 3.68Å; I99-L104 HydrophobicContact CG2-CD1 3.23Å; I99-L104 HydrophobicContact CG2-CG 4.4Å; N100-L104 PolarHBondContact O-N 3.44Å; F101-L104 HydrophobicContact CD1-CD1 3.73Å; F101-L104 HydrophobicContact CE1-CD1 4.17Å; F101-L104 PolarHBondContact O-N 3.37Å; L104-R106 PolarHBondContact O-N 2.88Å; L104-D107 CarbonylContact O-C 3.39Å; L104-D107 WeakPolarHBondContact O-CA 3.33Å; L104-D107 WeakPolarHBondContact O-CB 3.48Å; L104-D107 PolarHBondContact O-N 3.24Å; L104-R108 PolarHBondContact O-N 3.41Å; L104-R108 VanDerWaalsContact O-N 3.16Å; L104-Y109 HydrophobicContact CB-CD1 3.73Å; L104-Y109 HydrophobicContact CB-CG 4.26Å; L104-Y109 WeakPolarHBondContact O-CD1 3.45Å; L104-Y109 PolarHBondContact O-N 3.37Å
105R82.4Confident84.9Confident66 Ų6657.7 Ų57.725%0.24927%0.27CS..THydrogen-bonded Turntrans-57.5-34.4172.9176.8176-77.9144.32.7112.3F101 F102 R103 D107 R108 W110 E139F101-R105 PolarHBondContact O-N 3.37Å; F102-R105 WeakPolarHBondContact O-CB 3.43Å; R103-R105 PolarHBondContact O-N 3.42Å; R103-R105 VanDerWaalsContact O-N 3.08Å; R105-D107 VanDerWaalsContact C-N 3.26Å; R105-D107 PolarHBondContact O-N 3.24Å; R105-R108 PolarHBondContact O-N 3.26Å; R105-W110 HydrophobicContact CB-CH2 4.29Å; R105-W110 HydrophobicContact CB-CZ3 3.97Å; R105-W110 HydrophobicContact CG-CH2 3.63Å; R105-W110 HydrophobicContact CG-CZ3 3.68Å; R105-W110 VanDerWaalsContact O-CH2 3.26Å; R105-W110 WeakPolarHBondContact O-CH2 3.43Å; R105-E139 IonicContact CZ-OE1 3.21Å; R105-E139 IonicContact NE-OE1 3.23Å; R105-E139 PolarHBondContact NE-OE1 3.27Å; R105-E139 IonicContact NH2-OE1 3.96Å; R105-E139 PolarHBondContact NH2-OE1 3.2Å; R105-E139 IonicContact NH2-OE2 3.11Å
106R83.3Confident85.1Confident207 Ų20758.2 Ų58.278%0.78128%0.278SS*.THydrogen-bonded Turntrans-65.1-33.2173.4-64.2-175.5174.2-179.1-1.8112.1R103 L104 R108R103-R106 VanDerWaalsContact O-CB 3.3Å; R103-R106 WeakPolarHBondContact O-CB 3.46Å; R103-R106 PolarHBondContact O-N 3.17Å; L104-R106 PolarHBondContact O-N 2.88Å; R106-R108 PolarHBondContact O-N 3.15Å
107D83.9Confident85.6Confident66 Ų6657.9 Ų57.935%0.35327%0.27SS..THydrogen-bonded Turntrans-83.71.7177.8-52.9-51000112.7V79 L104 R105 Y109V79-D107 HydrophobicContact CG2-CB 3.85Å; L104-D107 CarbonylContact O-C 3.39Å; L104-D107 WeakPolarHBondContact O-CA 3.33Å; L104-D107 WeakPolarHBondContact O-CB 3.48Å; L104-D107 PolarHBondContact O-N 3.24Å; R105-D107 VanDerWaalsContact C-N 3.26Å; R105-D107 PolarHBondContact O-N 3.24Å; D107-Y109 VanDerWaalsContact C-N 3.3Å; D107-Y109 PolarHBondContact O-N 3.4Å
108R89.3Confident86.4Confident115 Ų11557.2 Ų57.243%0.43427%0.266SS..THydrogen-bonded Turntrans51.448.2178.8-46.6-179.178.7175.3-106111.9L104 R105 R106 W110 I111 L112 E142L104-R108 PolarHBondContact O-N 3.41Å; L104-R108 VanDerWaalsContact O-N 3.16Å; R105-R108 PolarHBondContact O-N 3.26Å; R106-R108 PolarHBondContact O-N 3.15Å; R108-W110 HydrophobicContact CB-CZ2 4.06Å; R108-W110 HydrophobicContact CG-CZ2 4.26Å; R108-W110 PolarHBondContact O-N 3.15Å; R108-I111 HydrophobicContact CB-CB 4.41Å; R108-I111 HydrophobicContact CB-CD1 4.12Å; R108-I111 HydrophobicContact CB-CG1 4.33Å; R108-I111 VanDerWaalsContact CZ-CD1 3.41Å; R108-I111 WeakPolarHBondContact O-CB 3.42Å; R108-I111 PolarHBondContact O-N 3.25Å; R108-L112 PolarHBondContact O-N 3.32Å; R108-E142 VanDerWaalsContact CZ-CD 3.47Å; R108-E142 IonicContact CZ-OE1 2.99Å; R108-E142 IonicContact CZ-OE2 3.86Å; R108-E142 IonicContact NE-OE1 3.98Å; R108-E142 IonicContact NE-OE2 2.62Å; R108-E142 PolarHBondContact NE-OE2 2.99Å; R108-E142 IonicContact NH1-OE1 3.83Å; R108-E142 PolarHBondContact NH1-OE1 2.85Å; R108-E142 IonicContact NH1-OE2 2.76Å; R108-E142 IonicContact NH2-OE1 3.24Å; R108-E142 PolarHBondContact NH2-OE1 2.91Å; R108-E142 IonicContact NH2-OE2 3.99Å
109Y88.3Confident87.4Confident3 Ų355 Ų551%0.01226%0.259CS..Hα-helixtrans-51.7-29-174.473.3-93.1000114.3L82 L104 D107 I111 L112 A113 L128 V133 P134L82-Y109 HydrophobicContact CD1-CD2 4.23Å; L104-Y109 HydrophobicContact CB-CD1 3.73Å; L104-Y109 HydrophobicContact CB-CG 4.26Å; L104-Y109 WeakPolarHBondContact O-CD1 3.45Å; L104-Y109 PolarHBondContact O-N 3.37Å; D107-Y109 VanDerWaalsContact C-N 3.3Å; D107-Y109 PolarHBondContact O-N 3.4Å; Y109-I111 VanDerWaalsContact C-N 3.28Å; Y109-I111 PolarHBondContact O-N 3.49Å; Y109-L112 WeakPolarHBondContact O-CB 3.42Å; Y109-L112 PolarHBondContact O-N 2.98Å; Y109-A113 PolarHBondContact O-N 3.41Å; Y109-A113 VanDerWaalsContact O-N 3.07Å; Y109-L128 HydrophobicContact CE2-CD1 4.44Å; Y109-V133 HydrophobicContact CE2-CG1 3.67Å; Y109-P134 PolarHBondContact OH-O 2.52Å
110W89.4Confident88.3Confident13 Ų1355.8 Ų55.85%0.04926%0.262CS..Hα-helixtrans-67.7-25.3176.762.778000113R105 R108 F125 Y135 E139 E142 I143R105-W110 HydrophobicContact CB-CH2 4.29Å; R105-W110 HydrophobicContact CB-CZ3 3.97Å; R105-W110 HydrophobicContact CG-CH2 3.63Å; R105-W110 HydrophobicContact CG-CZ3 3.68Å; R105-W110 VanDerWaalsContact O-CH2 3.26Å; R105-W110 WeakPolarHBondContact O-CH2 3.43Å; R108-W110 HydrophobicContact CB-CZ2 4.06Å; R108-W110 HydrophobicContact CG-CZ2 4.26Å; R108-W110 PolarHBondContact O-N 3.15Å; W110-F125 VanDerWaalsContact O-CZ 3.32Å; W110-F125 WeakPolarHBondContact O-CZ 3.32Å; W110-Y135 HydrophobicContact CB-CE2 4.24Å; W110-E139 HydrophobicContact CD2-CB 3.79Å; W110-E139 HydrophobicContact CD2-CG 3.86Å; W110-E139 HydrophobicContact CE3-CB 4.11Å; W110-E139 HydrophobicContact CE3-CG 3.8Å; W110-E139 HydrophobicContact CG-CB 4.15Å; W110-E139 HydrophobicContact CH2-CG 3.64Å; W110-E139 HydrophobicContact CZ2-CB 4.28Å; W110-E139 HydrophobicContact CZ2-CG 3.68Å; W110-E139 HydrophobicContact CZ3-CB 4.47Å; W110-E139 HydrophobicContact CZ3-CG 3.67Å; W110-E139 VanDerWaalsContact CZ3-OE1 3.27Å; W110-E139 WeakPolarHBondContact CZ3-OE1 3.13Å; W110-E142 PolarHBondContact NE1-OE2 2.68Å; W110-E142 VanDerWaalsContact NE1-OE2 3.08Å; W110-I143 HydrophobicContact CB-CD1 3.6Å; W110-I143 HydrophobicContact CG-CD1 3.84Å
111I92Very high89.1Confident42 Ų4253 Ų5322%0.21525%0.248CC..Hα-helixtrans-81.5-35.5171.6-61.8-178.3000111R108 Y109 A113 L114 E142 I146R108-I111 HydrophobicContact CB-CB 4.41Å; R108-I111 HydrophobicContact CB-CD1 4.12Å; R108-I111 HydrophobicContact CB-CG1 4.33Å; R108-I111 VanDerWaalsContact CZ-CD1 3.41Å; R108-I111 WeakPolarHBondContact O-CB 3.42Å; R108-I111 PolarHBondContact O-N 3.25Å; Y109-I111 VanDerWaalsContact C-N 3.28Å; Y109-I111 PolarHBondContact O-N 3.49Å; I111-A113 PolarHBondContact O-N 2.81Å; I111-L114 WeakPolarHBondContact O-CA 3.48Å; I111-L114 VanDerWaalsContact O-CB 3.28Å; I111-L114 WeakPolarHBondContact O-CB 3.32Å; I111-L114 PolarHBondContact O-N 3.46Å; I111-E142 HydrophobicContact CD1-CG 4.24Å; I111-I146 HydrophobicContact CD1-CD1 3.89Å; I111-I146 HydrophobicContact CG1-CD1 4.11Å
112L90.4Very high89.8Confident57 Ų5752 Ų5230%0.29824%0.244SC..Hα-helixtrans-62.4-31174.3-64174.1000111.7V79 L82 R108 Y109 L114V79-L112 HydrophobicContact CB-CD1 4.07Å; V79-L112 HydrophobicContact CG1-CD1 3.61Å; V79-L112 HydrophobicContact CG2-CD1 3.91Å; L82-L112 HydrophobicContact CB-CB 4.26Å; R108-L112 PolarHBondContact O-N 3.32Å; Y109-L112 WeakPolarHBondContact O-CB 3.42Å; Y109-L112 PolarHBondContact O-N 2.98Å; L112-L114 PolarHBondContact O-N 3.36Å
113A92.5Very high90.5Very high0 Ų047.3 Ų47.30%023%0.23CC..THydrogen-bonded Turntrans-71.8-7.9171.300000114L82 Y109 I111 H115 S121 F125 L128L82-A113 HydrophobicContact CD2-CB 4.22Å; Y109-A113 PolarHBondContact O-N 3.41Å; Y109-A113 VanDerWaalsContact O-N 3.07Å; I111-A113 PolarHBondContact O-N 2.81Å; A113-H115 PolarHBondContact O-N 3.24Å; A113-S121 WeakPolarHBondContact O-CA 3.44Å; A113-S121 WeakPolarHBondContact O-CB 3.33Å; A113-S121 PolarHBondContact O-OG 3.09Å; A113-F125 HydrophobicContact CB-CD2 4.23Å; A113-F125 HydrophobicContact CB-CE2 3.67Å; A113-F125 HydrophobicContact CB-CZ 4.21Å; A113-L128 HydrophobicContact CB-CD1 4.28Å
114L94.5Very high91.4Very high25 Ų2544.7 Ų44.713%0.13122%0.22CC..  trans-90.194.6174.4-66.6179.6000110.8I111 L112 F125 I143 I146 V147 F160I111-L114 WeakPolarHBondContact O-CA 3.48Å; I111-L114 VanDerWaalsContact O-CB 3.28Å; I111-L114 WeakPolarHBondContact O-CB 3.32Å; I111-L114 PolarHBondContact O-N 3.46Å; L112-L114 PolarHBondContact O-N 3.36Å; L114-F125 HydrophobicContact CD2-CE2 3.8Å; L114-F125 HydrophobicContact CD2-CZ 4.18Å; L114-F125 HydrophobicContact CG-CE2 4.36Å; L114-I143 HydrophobicContact CD1-CG1 4.04Å; L114-I143 HydrophobicContact CD1-CG2 4.3Å; L114-I143 HydrophobicContact CD2-CG2 4.11Å; L114-I146 HydrophobicContact CD1-CB 4.32Å; L114-I146 HydrophobicContact CD1-CD1 4.34Å; L114-I146 HydrophobicContact CD1-CG2 3.96Å; L114-V147 HydrophobicContact CD1-CG2 4.45Å; L114-V147 HydrophobicContact CD2-CG2 4.16Å; L114-F160 HydrophobicContact CD2-CE1 3.73Å; L114-F160 HydrophobicContact CD2-CZ 3.63Å
115H93.6Very high92.2Very high23 Ų2344.8 Ų44.811%0.10622%0.221CC..  trans-80.7170.5175.4-73-83.1000112.7L82 Q84 D85 A113 I120 S121 Y124L82-H115 PolarHBondContact O-CE1 3.46Å; L82-H115 PolarHBondContact O-NE2 3.37Å; Q84-H115 PolarHBondContact O-CE1 2.79Å; Q84-H115 PolarHBondContact O-NE2 3.25Å; D85-H115 IonicContact OD1-CE1 2.86Å; D85-H115 IonicContact OD1-ND1 3.81Å; D85-H115 PolarHBondContact OD1-ND1 3.2Å; A113-H115 PolarHBondContact O-N 3.24Å; H115-I120 HydrophobicContact CB-CB 4.31Å; H115-I120 HydrophobicContact CB-CG2 4.36Å; H115-S121 PolarHBondContact N-OG 3.18Å; H115-Y124 AromaticContact CD2-CD2 3.77Å; H115-Y124 AromaticContact CD2-CE2 3.87Å; H115-Y124 AromaticContact NE2-CD2 3.81Å; H115-Y124 AromaticContact NE2-CE2 3.51Å
116T92.3Very high92.8Very high128 Ų12847.2 Ų47.279%0.78523%0.233SC*.SBendtrans-66.6-42.6173.653.40000111.2I154T116-I154 WeakPolarHBondContact O-CG2 3.46Å
117D94.8Very high93.3Very high41 Ų4138.5 Ų38.522%0.21920%0.202CC..SBendtrans-84.1115.5165.6-173.5-11.7000109.9S119 I120 S121 I155D117-S119 PolarHBondContact O-N 3.07Å; D117-S119 WeakPolarHBondContact OD1-CA 3.02Å; D117-S119 WeakPolarHBondContact OD1-CB 3.33Å; D117-S119 PolarHBondContact OD1-N 2.91Å; D117-S119 PolarHBondContact OD1-OG 3.27Å; D117-I120 HydrophobicContact CB-CD1 4.06Å; D117-I120 HydrophobicContact CB-CG1 4.16Å; D117-I120 PolarHBondContact O-N 3.38Å; D117-S121 PolarHBondContact O-N 3.48Å; D117-S121 PolarHBondContact O-OG 2.92Å; D117-I155 WeakPolarHBondContact OD1-CG2 3.4Å
118L97.1Very high93.8Very high0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-76.3-10.1-179.3-65.2173.8000112.6S121 L122 V147 K150 I154 I155 I157 F160L118-S121 WeakPolarHBondContact O-CB 3.31Å; L118-S121 PolarHBondContact O-N 3.01Å; L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 3.05Å; L118-V147 HydrophobicContact CD1-CG1 4.19Å; L118-K150 HydrophobicContact CD1-CD 4.21Å; L118-I154 HydrophobicContact CD1-CG2 3.83Å; L118-I154 HydrophobicContact CG-CG2 3.88Å; L118-I155 WeakPolarHBondContact CB-O 3.32Å; L118-I155 PolarHBondContact N-O 3.17Å; L118-I157 HydrophobicContact CD1-CB 4.03Å; L118-I157 HydrophobicContact CD1-CD1 3.3Å; L118-I157 HydrophobicContact CD1-CG1 4.24Å; L118-F160 HydrophobicContact CB-CB 4Å; L118-F160 HydrophobicContact CB-CG 4.24Å; L118-F160 HydrophobicContact CD2-CD1 4.25Å; L118-F160 HydrophobicContact CD2-CE1 4.5Å
119S96Very high93.9Very high51 Ų5133.6 Ų33.636%0.35718%0.181SC..Hα-helixtrans-67.4-39170-41.40000111.2D117 L122 A123D117-S119 PolarHBondContact O-N 3.07Å; D117-S119 WeakPolarHBondContact OD1-CA 3.02Å; D117-S119 WeakPolarHBondContact OD1-CB 3.33Å; D117-S119 PolarHBondContact OD1-N 2.91Å; D117-S119 PolarHBondContact OD1-OG 3.27Å; S119-L122 WeakPolarHBondContact O-CB 3.49Å; S119-L122 PolarHBondContact O-N 2.89Å; S119-A123 PolarHBondContact O-N 3.45Å
120I95.4Very high94.1Very high38 Ų3837.5 Ų37.520%0.19521%0.214CC..Hα-helixtrans-68-45.8173.6-59.2177.3000109.3D85 H115 D117 L122 A123 Y124D85-I120 HydrophobicContact CB-CD1 4.1Å; H115-I120 HydrophobicContact CB-CB 4.31Å; H115-I120 HydrophobicContact CB-CG2 4.36Å; D117-I120 HydrophobicContact CB-CD1 4.06Å; D117-I120 HydrophobicContact CB-CG1 4.16Å; D117-I120 PolarHBondContact O-N 3.38Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.25Å; I120-A123 WeakPolarHBondContact O-CB 3.18Å; I120-A123 PolarHBondContact O-N 2.7Å; I120-A123 VanDerWaalsContact O-N 3.1Å; I120-Y124 HydrophobicContact CG2-CD2 3.8Å; I120-Y124 HydrophobicContact CG2-CE2 3.59Å; I120-Y124 WeakPolarHBondContact O-CD2 3.46Å; I120-Y124 PolarHBondContact O-N 3.17Å
121S96.5Very high94.2Very high0 Ų039.6 Ų39.60%022%0.224CC..Hα-helixtrans-55.3-47174.3-50.70000110.9A113 H115 D117 L118 A123 Y124 F125A113-S121 WeakPolarHBondContact O-CA 3.44Å; A113-S121 WeakPolarHBondContact O-CB 3.33Å; A113-S121 PolarHBondContact O-OG 3.09Å; H115-S121 PolarHBondContact N-OG 3.18Å; D117-S121 PolarHBondContact O-N 3.48Å; D117-S121 PolarHBondContact O-OG 2.92Å; L118-S121 WeakPolarHBondContact O-CB 3.31Å; L118-S121 PolarHBondContact O-N 3.01Å; S121-A123 VanDerWaalsContact C-N 3.29Å; S121-A123 PolarHBondContact O-N 3.3Å; S121-Y124 WeakPolarHBondContact O-CB 2.99Å; S121-Y124 PolarHBondContact O-N 3.36Å; S121-Y124 VanDerWaalsContact O-N 3.08Å; S121-F125 VanDerWaalsContact O-CD2 3.27Å; S121-F125 WeakPolarHBondContact O-CD2 3.35Å; S121-F125 PolarHBondContact O-N 2.98Å
122L97Very high94Very high22 Ų2241.6 Ų41.612%0.11525%0.246CC..Hα-helixtrans-56.6-42.4177.6-177.757.9000112.3L118 S119 I120 F125 K126 E159 F160 Y163L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 3.05Å; S119-L122 WeakPolarHBondContact O-CB 3.49Å; S119-L122 PolarHBondContact O-N 2.89Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.25Å; L122-F125 PolarHBondContact O-N 3.36Å; L122-K126 HydrophobicContact CD1-CD 4.39Å; L122-K126 HydrophobicContact CD1-CG 4.42Å; L122-K126 HydrophobicContact CG-CD 4.35Å; L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 WeakPolarHBondContact O-CG 3.49Å; L122-K126 PolarHBondContact O-N 3.45Å; L122-E159 HydrophobicContact CD2-CB 3.86Å; L122-F160 HydrophobicContact CB-CD2 3.89Å; L122-F160 HydrophobicContact CD1-CD2 4.18Å; L122-Y163 VanDerWaalsContact CD1-CB 3.41Å; L122-Y163 HydrophobicContact CD1-CD1 3.93Å; L122-Y163 HydrophobicContact CD1-CD2 3.83Å; L122-Y163 HydrophobicContact CD1-CG 3.42Å; L122-Y163 VanDerWaalsContact CD1-CG 3.42Å
123A96.3Very high93.8Very high37 Ų3739 Ų3931%0.30623%0.233SC..Hα-helixtrans-62.7-44.4176.200000111.4V87 S119 I120 S121 K126 L127V87-A123 HydrophobicContact CG1-CB 4.27Å; V87-A123 HydrophobicContact CG2-CB 3.96Å; S119-A123 PolarHBondContact O-N 3.45Å; I120-A123 WeakPolarHBondContact O-CB 3.18Å; I120-A123 PolarHBondContact O-N 2.7Å; I120-A123 VanDerWaalsContact O-N 3.1Å; S121-A123 VanDerWaalsContact C-N 3.29Å; S121-A123 PolarHBondContact O-N 3.3Å; A123-K126 PolarHBondContact O-N 3.31Å; A123-L127 WeakPolarHBondContact O-CB 3.43Å; A123-L127 PolarHBondContact O-N 3Å
124Y95.3Very high93.4Very high0 Ų041.4 Ų41.40%025%0.249CC..Hα-helixtrans-61.2-47.8174.9-82.7-64.7000112.9A81 L82 Q84 N86 V87 T90 H115 I120 S121 K126 L127 L128A81-Y124 PolarHBondContact O-OH 3.05Å; L82-Y124 HydrophobicContact CD2-CD1 3.63Å; L82-Y124 HydrophobicContact CD2-CE1 3.99Å; L82-Y124 HydrophobicContact CD2-CG 4.34Å; Q84-Y124 WeakPolarHBondContact O-CE2 3.47Å; Q84-Y124 PolarHBondContact O-OH 3.17Å; N86-Y124 VanDerWaalsContact C-OH 3.26Å; N86-Y124 PolarHBondContact N-OH 2.88Å; N86-Y124 PolarHBondContact O-OH 2.84Å; V87-Y124 HydrophobicContact CG2-CD2 4.22Å; V87-Y124 HydrophobicContact CG2-CE1 4.27Å; V87-Y124 HydrophobicContact CG2-CE2 3.85Å; V87-Y124 PolarHBondContact N-OH 3.06Å; T90-Y124 HydrophobicContact CG2-CD1 4.25Å; T90-Y124 HydrophobicContact CG2-CE1 3.77Å; T90-Y124 WeakPolarHBondContact OG1-CE1 3.27Å; T90-Y124 PolarHBondContact OG1-OH 3.17Å; H115-Y124 AromaticContact CD2-CD2 3.77Å; H115-Y124 AromaticContact CD2-CE2 3.87Å; H115-Y124 AromaticContact NE2-CD2 3.81Å; H115-Y124 AromaticContact NE2-CE2 3.51Å; I120-Y124 HydrophobicContact CG2-CD2 3.8Å; I120-Y124 HydrophobicContact CG2-CE2 3.59Å; I120-Y124 WeakPolarHBondContact O-CD2 3.46Å; I120-Y124 PolarHBondContact O-N 3.17Å; S121-Y124 WeakPolarHBondContact O-CB 2.99Å; S121-Y124 PolarHBondContact O-N 3.36Å; S121-Y124 VanDerWaalsContact O-N 3.08Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.91Å; Y124-L127 WeakPolarHBondContact O-CB 3.47Å; Y124-L127 PolarHBondContact O-N 3.38Å; Y124-L127 VanDerWaalsContact O-N 3.13Å; Y124-L128 VanDerWaalsContact O-CG 3.26Å; Y124-L128 WeakPolarHBondContact O-CG 3.28Å; Y124-L128 PolarHBondContact O-N 3.15Å
125F95.1Very high93Very high7 Ų741.2 Ų41.23%0.03125%0.246CC..Hα-helixtrans-66-36.4-178.8-85.6-93.4000112.6W110 A113 L114 S121 L122 K129 Y135 I143 F160 Y163W110-F125 VanDerWaalsContact O-CZ 3.32Å; W110-F125 WeakPolarHBondContact O-CZ 3.32Å; A113-F125 HydrophobicContact CB-CD2 4.23Å; A113-F125 HydrophobicContact CB-CE2 3.67Å; A113-F125 HydrophobicContact CB-CZ 4.21Å; L114-F125 HydrophobicContact CD2-CE2 3.8Å; L114-F125 HydrophobicContact CD2-CZ 4.18Å; L114-F125 HydrophobicContact CG-CE2 4.36Å; S121-F125 VanDerWaalsContact O-CD2 3.27Å; S121-F125 WeakPolarHBondContact O-CD2 3.35Å; S121-F125 PolarHBondContact O-N 2.98Å; L122-F125 PolarHBondContact O-N 3.36Å; F125-K129 WeakPolarHBondContact O-CB 3.28Å; F125-K129 PolarHBondContact O-N 2.83Å; F125-Y135 HydrophobicContact CE1-CE2 4.34Å; F125-I143 HydrophobicContact CE1-CD1 3.56Å; F125-I143 HydrophobicContact CZ-CD1 3.42Å; F125-I143 VanDerWaalsContact CZ-CD1 3.42Å; F125-I143 HydrophobicContact CZ-CG1 4.35Å; F125-F160 HydrophobicContact CB-CE2 4.28Å; F125-F160 AromaticContact CD2-CE2 3.6Å; F125-F160 HydrophobicContact CD2-CE2 3.6Å; F125-F160 AromaticContact CD2-CZ 3.64Å; F125-F160 HydrophobicContact CD2-CZ 3.64Å; F125-F160 HydrophobicContact CE2-CE2 4.16Å; F125-F160 AromaticContact CE2-CZ 3.74Å; F125-F160 HydrophobicContact CE2-CZ 3.74Å; F125-F160 HydrophobicContact CG-CE2 4.02Å; F125-F160 HydrophobicContact CG-CZ 4.14Å; F125-F160 HydrophobicContact CZ-CZ 4.31Å; F125-Y163 HydrophobicContact CB-CD1 4.42Å; F125-Y163 HydrophobicContact CB-CE1 3.62Å; F125-Y163 HydrophobicContact CG-CE1 4.41Å; F125-Y163 PolarHBondContact O-OH 2.87Å; F125-Y163 VanDerWaalsContact O-OH 3.1Å
126K95.4Very high92.8Very high116 Ų11644.7 Ų44.750%0.50426%0.264SS..Hα-helixtrans-63.3-42.6171-75.6176.7177.2176.20111.8L122 A123 Y124 K129 A130 Y163L122-K126 HydrophobicContact CD1-CD 4.39Å; L122-K126 HydrophobicContact CD1-CG 4.42Å; L122-K126 HydrophobicContact CG-CD 4.35Å; L122-K126 WeakPolarHBondContact O-CB 3.49Å; L122-K126 WeakPolarHBondContact O-CG 3.49Å; L122-K126 PolarHBondContact O-N 3.45Å; A123-K126 PolarHBondContact O-N 3.31Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.91Å; K126-K129 PolarHBondContact O-N 3.19Å; K126-A130 WeakPolarHBondContact O-CB 2.9Å; K126-A130 PolarHBondContact O-N 2.9Å; K126-Y163 HydrophobicContact CG-CD2 4.17Å; K126-Y163 HydrophobicContact CG-CE2 3.72Å
127L95Very high92.7Very high25 Ų2540.1 Ų40.113%0.13124%0.235CC..Hα-helixtrans-61.1-49.6176.5179.770.7000111.3V87 T90 A91 L94 A123 Y124 K129 A130 H131V87-L127 HydrophobicContact CG1-CD2 4.09Å; T90-L127 HydrophobicContact CG2-CD2 4.07Å; A91-L127 HydrophobicContact CB-CD1 3.63Å; A91-L127 HydrophobicContact CB-CD2 4.11Å; L94-L127 HydrophobicContact CD1-CD2 3.9Å; L94-L127 HydrophobicContact CD1-CG 3.86Å; A123-L127 WeakPolarHBondContact O-CB 3.43Å; A123-L127 PolarHBondContact O-N 3Å; Y124-L127 WeakPolarHBondContact O-CB 3.47Å; Y124-L127 PolarHBondContact O-N 3.38Å; Y124-L127 VanDerWaalsContact O-N 3.13Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 2.78Å; L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 3.25Å; L127-A130 VanDerWaalsContact O-N 3.15Å; L127-H131 WeakPolarHBondContact CD1-CE1 3.44Å; L127-H131 PolarHBondContact O-N 3.41Å; L127-H131 VanDerWaalsContact O-N 3.08Å; L127-H131 PolarHBondContact O-ND1 2.89Å
128L93Very high92.6Very high10 Ų1041.9 Ų41.95%0.05225%0.25CC..Hα-helixtrans-61.7-39.3178.2-65.9174.1000111.5L82 L94 Y109 A113 Y124 H131 A132 V133L82-L128 HydrophobicContact CD2-CD1 4.39Å; L82-L128 HydrophobicContact CD2-CD2 4.39Å; L94-L128 HydrophobicContact CD1-CD2 4.22Å; Y109-L128 HydrophobicContact CE2-CD1 4.44Å; A113-L128 HydrophobicContact CB-CD1 4.28Å; Y124-L128 VanDerWaalsContact O-CG 3.26Å; Y124-L128 WeakPolarHBondContact O-CG 3.28Å; Y124-L128 PolarHBondContact O-N 3.15Å; L128-H131 PolarHBondContact O-N 3.14Å; L128-A132 PolarHBondContact O-N 2.93Å; L128-V133 HydrophobicContact CB-CB 4.09Å; L128-V133 HydrophobicContact CB-CG2 4.19Å; L128-V133 HydrophobicContact CD2-CB 4.25Å; L128-V133 HydrophobicContact CD2-CG1 4.21Å; L128-V133 HydrophobicContact CD2-CG2 3.79Å; L128-V133 WeakPolarHBondContact O-CB 3.32Å; L128-V133 WeakPolarHBondContact O-CG2 3.37Å; L128-V133 PolarHBondContact O-N 2.94Å
129K92.1Very high92.3Very high68 Ų6842.2 Ų42.230%0.29625%0.251SS..Hα-helixtrans-61.9-44.6172.7-179.5168.6-173.9167.80111.8F125 K126 L127 H131 A132 D167 D170 R171F125-K129 WeakPolarHBondContact O-CB 3.28Å; F125-K129 PolarHBondContact O-N 2.83Å; K126-K129 PolarHBondContact O-N 3.19Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 2.78Å; K129-H131 VanDerWaalsContact C-N 3.27Å; K129-H131 PolarHBondContact O-N 3.26Å; K129-A132 PolarHBondContact O-N 3.45Å; K129-A132 VanDerWaalsContact O-N 3.09Å; K129-D167 VanDerWaalsContact CD-OD1 3.24Å; K129-D167 WeakPolarHBondContact CD-OD1 3.11Å; K129-D167 WeakPolarHBondContact CE-OD1 3.12Å; K129-D167 IonicContact NZ-OD1 2.66Å; K129-D167 PolarHBondContact NZ-OD1 3.02Å; K129-D170 IonicContact NZ-OD2 3.37Å; K129-D170 PolarHBondContact NZ-OD2 2.94Å; K129-R171 VanDerWaalsContact CG-NH2 3.33Å
130A92.4Very high92.2Very high84 Ų8439.9 Ų39.969%0.69424%0.235SC*.Hα-helixtrans-62.3-33.5179.100000112.9K126 L127 A132K126-A130 WeakPolarHBondContact O-CB 2.9Å; K126-A130 PolarHBondContact O-N 2.9Å; L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 3.25Å; L127-A130 VanDerWaalsContact O-N 3.15Å; A130-A132 VanDerWaalsContact C-N 3.27Å; A130-A132 PolarHBondContact O-N 3.49Å
131H90.4Very high92Very high58 Ų5842.2 Ų42.227%0.26925%0.245SC..THydrogen-bonded Turntrans-87.511.4176.7-6777.3000113.6L94 D95 L127 L128 K129 V133L94-H131 HydrophobicContact CD1-CB 4.31Å; D95-H131 IonicContact OD1-CD2 2.89Å; D95-H131 IonicContact OD1-NE2 3.92Å; D95-H131 PolarHBondContact OD1-NE2 3.49Å; L127-H131 WeakPolarHBondContact CD1-CE1 3.44Å; L127-H131 PolarHBondContact O-N 3.41Å; L127-H131 VanDerWaalsContact O-N 3.08Å; L127-H131 PolarHBondContact O-ND1 2.89Å; L128-H131 PolarHBondContact O-N 3.14Å; K129-H131 VanDerWaalsContact C-N 3.27Å; K129-H131 PolarHBondContact O-N 3.26Å; H131-V133 HydrophobicContact CB-CG2 4.04Å; H131-V133 PolarHBondContact O-N 2.98Å; H131-V133 VanDerWaalsContact O-N 3.1Å
132A88.8Confident91.9Very high83 Ų8344.7 Ų44.769%0.68626%0.257SS*.THydrogen-bonded Turntrans52.132.7-178.600000114.2L128 K129 A130L128-A132 PolarHBondContact O-N 2.93Å; K129-A132 PolarHBondContact O-N 3.45Å; K129-A132 VanDerWaalsContact O-N 3.09Å; A130-A132 VanDerWaalsContact C-N 3.27Å; A130-A132 PolarHBondContact O-N 3.49Å
133V87.3Confident91.8Very high2 Ų243.7 Ų43.71%0.01225%0.251CS..  trans-60.8130.8178.9175.10000109.6L94 F101 Y109 L128 H131 Y135L94-V133 HydrophobicContact CD2-CG2 4.26Å; F101-V133 HydrophobicContact CD1-CG1 3.61Å; F101-V133 HydrophobicContact CD1-CG2 4.5Å; F101-V133 HydrophobicContact CE1-CB 4.14Å; F101-V133 HydrophobicContact CE1-CG1 3.54Å; F101-V133 HydrophobicContact CE1-CG2 3.64Å; F101-V133 HydrophobicContact CE2-CG2 4.45Å; F101-V133 HydrophobicContact CG-CG1 4.33Å; F101-V133 HydrophobicContact CZ-CB 4.37Å; F101-V133 HydrophobicContact CZ-CG1 4.23Å; F101-V133 HydrophobicContact CZ-CG2 3.62Å; Y109-V133 HydrophobicContact CE2-CG1 3.67Å; L128-V133 HydrophobicContact CB-CB 4.09Å; L128-V133 HydrophobicContact CB-CG2 4.19Å; L128-V133 HydrophobicContact CD2-CB 4.25Å; L128-V133 HydrophobicContact CD2-CG1 4.21Å; L128-V133 HydrophobicContact CD2-CG2 3.79Å; L128-V133 WeakPolarHBondContact O-CB 3.32Å; L128-V133 WeakPolarHBondContact O-CG2 3.37Å; L128-V133 PolarHBondContact O-N 2.94Å; H131-V133 HydrophobicContact CB-CG2 4.04Å; H131-V133 PolarHBondContact O-N 2.98Å; H131-V133 VanDerWaalsContact O-N 3.1Å; V133-Y135 PolarHBondContact O-N 2.82Å; V133-Y135 VanDerWaalsContact O-N 3.1Å
134P83.9Confident91.8Very high52 Ų5242 Ų4234%0.33824%0.237SC..  trans-71.4108.4-170.827.2-35.3000111.8F101 Y109F101-P134 HydrophobicContact CB-CG 3.35Å; F101-P134 HydrophobicContact CD2-CG 4.16Å; F101-P134 HydrophobicContact CG-CG 3.83Å; Y109-P134 PolarHBondContact OH-O 2.52Å
135Y85.6Confident91.8Very high20 Ų2043.3 Ų43.38%0.07825%0.248CC..  trans-119.6117.4-177-176.1-132.8000109.7W110 F125 V133 E139 F140 I143 W172W110-Y135 HydrophobicContact CB-CE2 4.24Å; F125-Y135 HydrophobicContact CE1-CE2 4.34Å; V133-Y135 PolarHBondContact O-N 2.82Å; V133-Y135 VanDerWaalsContact O-N 3.1Å; Y135-E139 WeakPolarHBondContact CA-OE2 3.36Å; Y135-E139 HydrophobicContact CD2-CB 3.97Å; Y135-E139 HydrophobicContact CE2-CB 3.81Å; Y135-F140 HydrophobicContact CE1-CB 3.93Å; Y135-F140 HydrophobicContact CE1-CD2 4.01Å; Y135-F140 HydrophobicContact CE1-CG 4.47Å; Y135-F140 HydrophobicContact CE2-CB 4.37Å; Y135-F140 VanDerWaalsContact OH-CA 3.23Å; Y135-F140 WeakPolarHBondContact OH-CA 3.47Å; Y135-I143 HydrophobicContact CE2-CD1 3.59Å; Y135-I143 WeakPolarHBondContact OH-CD1 3.39Å; Y135-W172 AromaticContact CD1-CH2 3.68Å; Y135-W172 HydrophobicContact CD1-CH2 3.68Å; Y135-W172 HydrophobicContact CD1-CZ2 4.2Å; Y135-W172 AromaticContact CE1-CH2 3.74Å; Y135-W172 HydrophobicContact CE1-CH2 3.74Å; Y135-W172 WeakPolarHBondContact O-CZ2 3.47Å
136M89.7Confident91.9Very high97 Ų9745.5 Ų45.548%0.47826%0.26SS..  trans-98.9160.1-172.5-52.9-64.4-95.100111.6S138 E139 F140M136-S138 VanDerWaalsContact C-N 3.3Å; M136-S138 PolarHBondContact O-N 3.37Å; M136-E139 HydrophobicContact CB-CG 4.26Å; M136-E139 PolarHBondContact N-OE2 3.46Å; M136-E139 WeakPolarHBondContact O-CB 3.42Å; M136-E139 PolarHBondContact O-N 3.07Å; M136-E139 VanDerWaalsContact O-N 3.09Å; M136-F140 PolarHBondContact O-N 3Å
137L90.1Very high91.9Very high32 Ų3240 Ų4017%0.16824%0.236CC..Hα-helixtrans-57.2-40.7-179.8-176.361.7000112.7E139 F140 E141 W172 H175 E178L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 2.89Å; L137-F140 HydrophobicContact CD1-CD1 4.09Å; L137-F140 WeakPolarHBondContact O-CB 3.43Å; L137-F140 PolarHBondContact O-N 3Å; L137-E141 WeakPolarHBondContact O-CG 3.32Å; L137-E141 PolarHBondContact O-N 3.4Å; L137-W172 HydrophobicContact CD1-CD2 3.97Å; L137-W172 HydrophobicContact CD1-CE3 4.12Å; L137-W172 HydrophobicContact CD1-CG 4.18Å; L137-H175 HydrophobicContact CD2-CB 4.37Å; L137-E178 HydrophobicContact CD2-CB 3.93Å; L137-E178 HydrophobicContact CD2-CG 4.03Å
138S91.1Very high92Very high77 Ų7739.5 Ų39.554%0.53823%0.233SC..Hα-helixtrans-63.5-34.4178.357.30000113.5M136 E142M136-S138 VanDerWaalsContact C-N 3.3Å; M136-S138 PolarHBondContact O-N 3.37Å; S138-E142 PolarHBondContact O-N 3.37Å; S138-E142 VanDerWaalsContact O-N 3.13Å
139E92.1Very high92Very high7 Ų746.3 Ų46.33%0.03327%0.265CS..Hα-helixtrans-74.6-36.6179.3-58.4161.3176.300109.7R105 W110 Y135 M136 L137 E142 I143R105-E139 IonicContact CZ-OE1 3.21Å; R105-E139 IonicContact NE-OE1 3.23Å; R105-E139 PolarHBondContact NE-OE1 3.27Å; R105-E139 IonicContact NH2-OE1 3.96Å; R105-E139 PolarHBondContact NH2-OE1 3.2Å; R105-E139 IonicContact NH2-OE2 3.11Å; W110-E139 HydrophobicContact CD2-CB 3.79Å; W110-E139 HydrophobicContact CD2-CG 3.86Å; W110-E139 HydrophobicContact CE3-CB 4.11Å; W110-E139 HydrophobicContact CE3-CG 3.8Å; W110-E139 HydrophobicContact CG-CB 4.15Å; W110-E139 HydrophobicContact CH2-CG 3.64Å; W110-E139 HydrophobicContact CZ2-CB 4.28Å; W110-E139 HydrophobicContact CZ2-CG 3.68Å; W110-E139 HydrophobicContact CZ3-CB 4.47Å; W110-E139 HydrophobicContact CZ3-CG 3.67Å; W110-E139 VanDerWaalsContact CZ3-OE1 3.27Å; W110-E139 WeakPolarHBondContact CZ3-OE1 3.13Å; Y135-E139 WeakPolarHBondContact CA-OE2 3.36Å; Y135-E139 HydrophobicContact CD2-CB 3.97Å; Y135-E139 HydrophobicContact CE2-CB 3.81Å; M136-E139 HydrophobicContact CB-CG 4.26Å; M136-E139 PolarHBondContact N-OE2 3.46Å; M136-E139 WeakPolarHBondContact O-CB 3.42Å; M136-E139 PolarHBondContact O-N 3.07Å; M136-E139 VanDerWaalsContact O-N 3.09Å; L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 2.89Å; E139-E142 PolarHBondContact O-N 3.38Å; E139-I143 WeakPolarHBondContact O-CG1 3.26Å; E139-I143 PolarHBondContact O-N 2.91Å
140F92.9Very high92.1Very high2 Ų245.4 Ų45.41%0.00926%0.261CS..Hα-helixtrans-62.9-45.7170.4170.9-95.8000113.5Y135 M136 L137 E142 I143 C144 L164 A168 W172 C182Y135-F140 HydrophobicContact CE1-CB 3.93Å; Y135-F140 HydrophobicContact CE1-CD2 4.01Å; Y135-F140 HydrophobicContact CE1-CG 4.47Å; Y135-F140 HydrophobicContact CE2-CB 4.37Å; Y135-F140 VanDerWaalsContact OH-CA 3.23Å; Y135-F140 WeakPolarHBondContact OH-CA 3.47Å; M136-F140 PolarHBondContact O-N 3Å; L137-F140 HydrophobicContact CD1-CD1 4.09Å; L137-F140 WeakPolarHBondContact O-CB 3.43Å; L137-F140 PolarHBondContact O-N 3Å; F140-E142 VanDerWaalsContact C-N 3.3Å; F140-E142 PolarHBondContact O-N 3.06Å; F140-I143 PolarHBondContact O-N 3.47Å; F140-C144 VanDerWaalsContact CE2-SG 3.51Å; F140-C144 WeakPolarHBondContact CZ-SG 3.48Å; F140-C144 WeakPolarHBondContact O-CB 3.23Å; F140-C144 PolarHBondContact O-N 3.29Å; F140-C144 PolarHBondContact O-SG 2.99Å; F140-L164 HydrophobicContact CD2-CD2 4.26Å; F140-L164 HydrophobicContact CE2-CB 3.98Å; F140-L164 HydrophobicContact CE2-CD2 4.06Å; F140-L164 WeakPolarHBondContact CE2-O 3.49Å; F140-A168 HydrophobicContact CE1-CB 3.92Å; F140-A168 HydrophobicContact CE2-CB 3.92Å; F140-A168 HydrophobicContact CZ-CB 3.41Å; F140-A168 VanDerWaalsContact CZ-CB 3.41Å; F140-W172 HydrophobicContact CB-CH2 3.48Å; F140-W172 VanDerWaalsContact CB-CH2 3.48Å; F140-W172 HydrophobicContact CB-CZ2 4.23Å; F140-W172 HydrophobicContact CB-CZ3 3.79Å; F140-W172 HydrophobicContact CD1-CE3 4.41Å; F140-W172 HydrophobicContact CD1-CH2 4.47Å; F140-W172 AromaticContact CD1-CZ3 3.92Å; F140-W172 HydrophobicContact CD1-CZ3 3.92Å; F140-W172 AromaticContact CD2-CH2 3.97Å; F140-W172 HydrophobicContact CD2-CH2 3.97Å; F140-W172 AromaticContact CD2-CZ3 3.63Å; F140-W172 HydrophobicContact CD2-CZ3 3.63Å; F140-W172 HydrophobicContact CE1-CZ3 4.41Å; F140-W172 HydrophobicContact CE2-CZ3 4.17Å; F140-W172 HydrophobicContact CG-CE3 4.38Å; F140-W172 AromaticContact CG-CH2 3.73Å; F140-W172 HydrophobicContact CG-CH2 3.73Å; F140-W172 AromaticContact CG-CZ3 3.49Å; F140-W172 HydrophobicContact CG-CZ3 3.49Å; F140-W172 VanDerWaalsContact CG-CZ3 3.49Å; F140-C182 HydrophobicContact CE1-CB 3.89Å; F140-C182 WeakPolarHBondContact CE1-SG 3.45Å; F140-C182 HydrophobicContact CZ-CB 4.33Å; F140-C182 WeakPolarHBondContact CZ-SG 3.31Å
141E92.4Very high92.1Very high87 Ų8746 Ų4641%0.40725%0.249SC..Hα-helixtrans-60.6-41.2176-73.5-179.7150.400111.9L137 C144 A145L137-E141 WeakPolarHBondContact O-CG 3.32Å; L137-E141 PolarHBondContact O-N 3.4Å; E141-C144 PolarHBondContact O-N 3.4Å; E141-A145 WeakPolarHBondContact O-CB 3.41Å; E141-A145 PolarHBondContact O-N 3.18Å
142E94.5Very high92.2Very high53 Ų5343.6 Ų43.625%0.24824%0.239CC..Hα-helixtrans-62-46.6175.4175.4163.5-128.900111.8R108 W110 I111 S138 E139 F140 C144 A145 I146R108-E142 VanDerWaalsContact CZ-CD 3.47Å; R108-E142 IonicContact CZ-OE1 2.99Å; R108-E142 IonicContact CZ-OE2 3.86Å; R108-E142 IonicContact NE-OE1 3.98Å; R108-E142 IonicContact NE-OE2 2.62Å; R108-E142 PolarHBondContact NE-OE2 2.99Å; R108-E142 IonicContact NH1-OE1 3.83Å; R108-E142 PolarHBondContact NH1-OE1 2.85Å; R108-E142 IonicContact NH1-OE2 2.76Å; R108-E142 IonicContact NH2-OE1 3.24Å; R108-E142 PolarHBondContact NH2-OE1 2.91Å; R108-E142 IonicContact NH2-OE2 3.99Å; W110-E142 PolarHBondContact NE1-OE2 2.68Å; W110-E142 VanDerWaalsContact NE1-OE2 3.08Å; I111-E142 HydrophobicContact CD1-CG 4.24Å; S138-E142 PolarHBondContact O-N 3.37Å; S138-E142 VanDerWaalsContact O-N 3.13Å; E139-E142 PolarHBondContact O-N 3.38Å; F140-E142 VanDerWaalsContact C-N 3.3Å; F140-E142 PolarHBondContact O-N 3.06Å; E142-C144 PolarHBondContact O-N 2.9Å; E142-A145 PolarHBondContact O-N 2.9Å; E142-I146 HydrophobicContact CG-CD1 3.9Å; E142-I146 WeakPolarHBondContact O-CG1 3.02Å; E142-I146 PolarHBondContact O-N 3.12Å
143I95.2Very high92.4Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-62.2-46.2176.9-76.3162.4000111.4W110 L114 F125 Y135 E139 F140 A145 I146 V147 F160 L164W110-I143 HydrophobicContact CB-CD1 3.6Å; W110-I143 HydrophobicContact CG-CD1 3.84Å; L114-I143 HydrophobicContact CD1-CG1 4.04Å; L114-I143 HydrophobicContact CD1-CG2 4.3Å; L114-I143 HydrophobicContact CD2-CG2 4.11Å; F125-I143 HydrophobicContact CE1-CD1 3.56Å; F125-I143 HydrophobicContact CZ-CD1 3.42Å; F125-I143 VanDerWaalsContact CZ-CD1 3.42Å; F125-I143 HydrophobicContact CZ-CG1 4.35Å; Y135-I143 HydrophobicContact CE2-CD1 3.59Å; Y135-I143 WeakPolarHBondContact OH-CD1 3.39Å; E139-I143 WeakPolarHBondContact O-CG1 3.26Å; E139-I143 PolarHBondContact O-N 2.91Å; F140-I143 PolarHBondContact O-N 3.47Å; I143-A145 VanDerWaalsContact C-N 3.29Å; I143-A145 PolarHBondContact O-N 3.5Å; I143-I146 PolarHBondContact O-N 3.01Å; I143-V147 HydrophobicContact CG2-CG2 4.13Å; I143-V147 WeakPolarHBondContact O-CB 3.33Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.37Å; I143-F160 HydrophobicContact CG2-CE1 4.21Å; I143-L164 HydrophobicContact CG2-CD1 3.93Å; I143-L164 HydrophobicContact CG2-CD2 4.06Å
144C95.3Very high92.7Very high2 Ų245.4 Ų45.41%0.01424%0.243CC..Hα-helixtrans-57.9-45.2176.4-70.80000110.6F140 E141 E142 I146 V147 L148F140-C144 VanDerWaalsContact CE2-SG 3.51Å; F140-C144 WeakPolarHBondContact CZ-SG 3.48Å; F140-C144 WeakPolarHBondContact O-CB 3.23Å; F140-C144 PolarHBondContact O-N 3.29Å; F140-C144 PolarHBondContact O-SG 2.99Å; E141-C144 PolarHBondContact O-N 3.4Å; E142-C144 PolarHBondContact O-N 2.9Å; C144-I146 PolarHBondContact O-N 2.94Å; C144-V147 PolarHBondContact O-N 3.4Å; C144-L148 HydrophobicContact CB-CD1 4.46Å; C144-L148 VanDerWaalsContact O-CB 3.28Å; C144-L148 WeakPolarHBondContact O-CB 3.4Å; C144-L148 WeakPolarHBondContact O-CD1 3.48Å; C144-L148 WeakPolarHBondContact O-CG 3.44Å; C144-L148 PolarHBondContact O-N 2.89Å
145A95.3Very high93.3Very high28 Ų2848.2 Ų48.223%0.23125%0.254CS..Hα-helixtrans-58.7-49.2177.300000111.9E141 E142 I143 V147 L148 E149E141-A145 WeakPolarHBondContact O-CB 3.41Å; E141-A145 PolarHBondContact O-N 3.18Å; E142-A145 PolarHBondContact O-N 2.9Å; I143-A145 VanDerWaalsContact C-N 3.29Å; I143-A145 PolarHBondContact O-N 3.5Å; A145-V147 PolarHBondContact O-N 3.12Å; A145-L148 PolarHBondContact O-N 3.4Å; A145-E149 WeakPolarHBondContact O-CG 3.45Å; A145-E149 PolarHBondContact O-N 3.17Å
146I96.2Very high93.8Very high52 Ų5247.8 Ų47.827%0.26726%0.255SS..Hα-helixtrans-60.5-44.4179.4-67.3166000111.4I111 L114 E142 I143 C144 E149I111-I146 HydrophobicContact CD1-CD1 3.89Å; I111-I146 HydrophobicContact CG1-CD1 4.11Å; L114-I146 HydrophobicContact CD1-CB 4.32Å; L114-I146 HydrophobicContact CD1-CD1 4.34Å; L114-I146 HydrophobicContact CD1-CG2 3.96Å; E142-I146 HydrophobicContact CG-CD1 3.9Å; E142-I146 WeakPolarHBondContact O-CG1 3.02Å; E142-I146 PolarHBondContact O-N 3.12Å; I143-I146 PolarHBondContact O-N 3.01Å; C144-I146 PolarHBondContact O-N 2.94Å; I146-E149 PolarHBondContact O-N 3.47Å
147V96.9Very high94.1Very high0 Ų043.3 Ų43.30%023%0.233CC..Hα-helixtrans-72.3-38.1-176.3178.70000111.2L114 L118 I143 C144 A145 E149 K150 I157 F160 L161L114-V147 HydrophobicContact CD1-CG2 4.45Å; L114-V147 HydrophobicContact CD2-CG2 4.16Å; L118-V147 HydrophobicContact CD1-CG1 4.19Å; I143-V147 HydrophobicContact CG2-CG2 4.13Å; I143-V147 WeakPolarHBondContact O-CB 3.33Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.37Å; C144-V147 PolarHBondContact O-N 3.4Å; A145-V147 PolarHBondContact O-N 3.12Å; V147-E149 PolarHBondContact O-N 2.88Å; V147-K150 VanDerWaalsContact O-CB 3.29Å; V147-K150 WeakPolarHBondContact O-CB 3.44Å; V147-K150 PolarHBondContact O-N 3.43Å; V147-K150 VanDerWaalsContact O-N 3.08Å; V147-I157 HydrophobicContact CG1-CD1 3.46Å; V147-I157 VanDerWaalsContact CG1-CD1 3.46Å; V147-F160 HydrophobicContact CG1-CD1 4.14Å; V147-F160 HydrophobicContact CG2-CD1 4.08Å; V147-F160 HydrophobicContact CG2-CE1 3.76Å; V147-L161 HydrophobicContact CB-CD2 4.31Å; V147-L161 HydrophobicContact CG1-CD2 3.56Å; V147-L161 HydrophobicContact CG1-CG 4.01Å
148L96Very high94.4Very high15 Ų1543.6 Ų43.68%0.07923%0.234CC..Hα-helixtrans-70.2-14179.1-65.2168.8000113.2C144 A145 L161 R185 I186 Y189 K193C144-L148 HydrophobicContact CB-CD1 4.46Å; C144-L148 VanDerWaalsContact O-CB 3.28Å; C144-L148 WeakPolarHBondContact O-CB 3.4Å; C144-L148 WeakPolarHBondContact O-CD1 3.48Å; C144-L148 WeakPolarHBondContact O-CG 3.44Å; C144-L148 PolarHBondContact O-N 2.89Å; A145-L148 PolarHBondContact O-N 3.4Å; L148-L161 HydrophobicContact CD2-CD1 4.36Å; L148-L161 HydrophobicContact CD2-CD2 3.89Å; L148-L161 HydrophobicContact CG-CD2 4.44Å; L148-R185 HydrophobicContact CD1-CB 3.8Å; L148-I186 HydrophobicContact CD2-CG1 4.37Å; L148-Y189 HydrophobicContact CB-CD2 4.11Å; L148-Y189 VanDerWaalsContact CD2-CB 3.4Å; L148-Y189 HydrophobicContact CD2-CD1 4.44Å; L148-Y189 HydrophobicContact CD2-CD2 3.77Å; L148-Y189 HydrophobicContact CD2-CG 3.64Å; L148-Y189 WeakPolarHBondContact O-CD2 3.35Å; L148-Y189 WeakPolarHBondContact O-CE2 3.11Å; L148-K193 PolarHBondContact O-NZ 2.81Å
149E94.5Very high94.7Very high154 Ų15444.9 Ų44.972%0.7223%0.231SC*.Hα-helixtrans-78.2-26.6171-73.7178.6-177.500112.6A145 I146 V147 K193A145-E149 WeakPolarHBondContact O-CG 3.45Å; A145-E149 PolarHBondContact O-N 3.17Å; I146-E149 PolarHBondContact O-N 3.47Å; V147-E149 PolarHBondContact O-N 2.88Å; E149-K193 PolarHBondContact O-NZ 3.27Å; E149-K193 VanDerWaalsContact O-NZ 3.16Å
150K94Very high95Very high48 Ų4844.5 Ų44.521%0.20923%0.229CC..SBendtrans-64157.3-177.9-71.4170.7-177.2-93.90113.4L118 V147 I154 I157 Y189 K193L118-K150 HydrophobicContact CD1-CD 4.21Å; V147-K150 VanDerWaalsContact O-CB 3.29Å; V147-K150 WeakPolarHBondContact O-CB 3.44Å; V147-K150 PolarHBondContact O-N 3.43Å; V147-K150 VanDerWaalsContact O-N 3.08Å; K150-I154 HydrophobicContact CB-CD1 3.6Å; K150-I154 HydrophobicContact CD-CD1 3.76Å; K150-I154 HydrophobicContact CG-CD1 3.67Å; K150-I157 HydrophobicContact CB-CD1 4.47Å; K150-Y189 WeakPolarHBondContact O-CE2 3.29Å; K150-Y189 PolarHBondContact O-OH 3.34Å; K150-K193 PolarHBondContact O-NZ 3.37Å
151E92.2Very high95.2Very high97 Ų9744.4 Ų44.445%0.45323%0.229SC..  trans-75.6148.6174.6-68.8-62.8164.300111.4S153 I154E151-S153 PolarHBondContact O-N 2.85Å; E151-S153 VanDerWaalsContact O-N 3.14Å; E151-I154 WeakPolarHBondContact O-CG1 3.23Å; E151-I154 PolarHBondContact O-N 3.13Å
152P92.3Very high95.5Very high8 Ų841 Ų415%0.05221%0.213CC..THydrogen-bonded Turntrans-68-11.2-178.829.6-35.5000113.3I154 K193 V194 F197P152-I154 VanDerWaalsContact C-N 3.25Å; P152-I154 PolarHBondContact O-N 2.65Å; P152-K193 HydrophobicContact CB-CB 4.31Å; P152-K193 HydrophobicContact CG-CB 4.18Å; P152-V194 HydrophobicContact CB-CG2 4.33Å; P152-F197 HydrophobicContact CB-CB 3.99Å; P152-F197 HydrophobicContact CB-CD1 4.12Å; P152-F197 HydrophobicContact CB-CG 3.97Å; P152-F197 HydrophobicContact CG-CB 3.77Å; P152-F197 HydrophobicContact CG-CD1 4.43Å; P152-F197 HydrophobicContact CG-CD2 4Å; P152-F197 HydrophobicContact CG-CG 3.82Å
153S92.2Very high95.6Very high80 Ų8039.7 Ų39.756%0.55921%0.206SC*.THydrogen-bonded Turntrans-77.4-6.2176.763.80000114.1E151E151-S153 PolarHBondContact O-N 2.85Å; E151-S153 VanDerWaalsContact O-N 3.14Å
154I94.8Very high95.6Very high42 Ų4239.7 Ų39.722%0.21521%0.206CC..SBendtrans-70.4132179.6-65.9-168.5000110.1T116 L118 K150 E151 P152 G156 I157T116-I154 WeakPolarHBondContact O-CG2 3.46Å; L118-I154 HydrophobicContact CD1-CG2 3.83Å; L118-I154 HydrophobicContact CG-CG2 3.88Å; K150-I154 HydrophobicContact CB-CD1 3.6Å; K150-I154 HydrophobicContact CD-CD1 3.76Å; K150-I154 HydrophobicContact CG-CD1 3.67Å; E151-I154 WeakPolarHBondContact O-CG1 3.23Å; E151-I154 PolarHBondContact O-N 3.13Å; P152-I154 VanDerWaalsContact C-N 3.25Å; P152-I154 PolarHBondContact O-N 2.65Å; I154-G156 PolarHBondContact O-N 3.14Å; I154-I157 WeakPolarHBondContact O-CB 3.32Å; I154-I157 VanDerWaalsContact O-CG2 3.24Å; I154-I157 WeakPolarHBondContact O-CG2 3.34Å; I154-I157 PolarHBondContact O-N 2.91Å
155I95.6Very high95.6Very high112 Ų11239.7 Ų39.757%0.57421%0.206SC*.THydrogen-bonded Turntrans-60.9130.5-179.4-53.1174.9000109.5D117 L118 I157D117-I155 WeakPolarHBondContact OD1-CG2 3.4Å; L118-I155 WeakPolarHBondContact CB-O 3.32Å; L118-I155 PolarHBondContact N-O 3.17Å; I155-I157 VanDerWaalsContact C-N 3.33Å; I155-I157 PolarHBondContact O-N 3.42Å
156G96Very high95.6Very high10 Ų1040.3 Ų40.310%0.10321%0.209CC..THydrogen-bonded Turntrans77.97177.500000115.6I154 E158 E159 F160I154-G156 PolarHBondContact O-N 3.14Å; G156-E158 VanDerWaalsContact C-N 3.35Å; G156-E158 PolarHBondContact O-N 2.99Å; G156-E159 WeakPolarHBondContact CA-OE2 3.48Å; G156-F160 WeakPolarHBondContact O-CB 3.33Å; G156-F160 PolarHBondContact O-N 3.01Å
157I96.9Very high95.5Very high4 Ų437.9 Ų37.92%0.02120%0.196CC..Hα-helixtrans-59.8-41.7-177-172.166.3000112.7L118 V147 K150 I154 I155 L161 Y189L118-I157 HydrophobicContact CD1-CB 4.03Å; L118-I157 HydrophobicContact CD1-CD1 3.3Å; L118-I157 HydrophobicContact CD1-CG1 4.24Å; V147-I157 HydrophobicContact CG1-CD1 3.46Å; V147-I157 VanDerWaalsContact CG1-CD1 3.46Å; K150-I157 HydrophobicContact CB-CD1 4.47Å; I154-I157 WeakPolarHBondContact O-CB 3.32Å; I154-I157 VanDerWaalsContact O-CG2 3.24Å; I154-I157 WeakPolarHBondContact O-CG2 3.34Å; I154-I157 PolarHBondContact O-N 2.91Å; I155-I157 VanDerWaalsContact C-N 3.33Å; I155-I157 PolarHBondContact O-N 3.42Å; I157-L161 HydrophobicContact CD1-CD1 4.19Å; I157-L161 HydrophobicContact CD1-CG 4.33Å; I157-L161 HydrophobicContact CG1-CD1 4.09Å; I157-L161 WeakPolarHBondContact O-CB 3.26Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 3.44Å; I157-Y189 HydrophobicContact CG1-CE1 4.14Å
158E96.4Very high95.3Very high37 Ų3737.9 Ų37.917%0.17320%0.196CC..Hα-helixtrans-68-51-177.8-66.3-171.3-148.700110.8G156 F160 L161 I162 F190 V194 N198 C203G156-E158 VanDerWaalsContact C-N 3.35Å; G156-E158 PolarHBondContact O-N 2.99Å; E158-F160 VanDerWaalsContact C-N 3.29Å; E158-F160 PolarHBondContact O-N 3.45Å; E158-L161 PolarHBondContact O-N 3.06Å; E158-I162 WeakPolarHBondContact O-CB 3.42Å; E158-I162 VanDerWaalsContact O-CG1 3.22Å; E158-I162 WeakPolarHBondContact O-CG1 3.45Å; E158-I162 PolarHBondContact O-N 3.15Å; E158-F190 HydrophobicContact CB-CE1 4.18Å; E158-F190 HydrophobicContact CB-CZ 4.27Å; E158-F190 HydrophobicContact CG-CE1 4.02Å; E158-F190 HydrophobicContact CG-CZ 4.43Å; E158-V194 HydrophobicContact CG-CG1 3.96Å; E158-V194 VanDerWaalsContact OE1-CG1 3.29Å; E158-V194 WeakPolarHBondContact OE1-CG1 3.31Å; E158-N198 PolarHBondContact OE1-ND2 3.43Å; E158-C203 WeakPolarHBondContact OE2-CB 3.41Å
159E97.6Very high95.2Very high104 Ų10440 Ų4049%0.48621%0.21SC..Hα-helixtrans-62.3-38.8179.5-63.478.8-175.100111.6L122 G156 Y163L122-E159 HydrophobicContact CD2-CB 3.86Å; G156-E159 WeakPolarHBondContact CA-OE2 3.48Å; E159-Y163 WeakPolarHBondContact O-CB 3.47Å; E159-Y163 PolarHBondContact O-N 2.88Å
160F97.9Very high95Very high0 Ų037.7 Ų37.70%020%0.203CC..Hα-helixtrans-68.5-45.5178.6-167.2-104.2000112.1L114 L118 L122 F125 I143 V147 G156 E158 I162 Y163 L164L114-F160 HydrophobicContact CD2-CE1 3.73Å; L114-F160 HydrophobicContact CD2-CZ 3.63Å; L118-F160 HydrophobicContact CB-CB 4Å; L118-F160 HydrophobicContact CB-CG 4.24Å; L118-F160 HydrophobicContact CD2-CD1 4.25Å; L118-F160 HydrophobicContact CD2-CE1 4.5Å; L122-F160 HydrophobicContact CB-CD2 3.89Å; L122-F160 HydrophobicContact CD1-CD2 4.18Å; F125-F160 HydrophobicContact CB-CE2 4.28Å; F125-F160 AromaticContact CD2-CE2 3.6Å; F125-F160 HydrophobicContact CD2-CE2 3.6Å; F125-F160 AromaticContact CD2-CZ 3.64Å; F125-F160 HydrophobicContact CD2-CZ 3.64Å; F125-F160 HydrophobicContact CE2-CE2 4.16Å; F125-F160 AromaticContact CE2-CZ 3.74Å; F125-F160 HydrophobicContact CE2-CZ 3.74Å; F125-F160 HydrophobicContact CG-CE2 4.02Å; F125-F160 HydrophobicContact CG-CZ 4.14Å; F125-F160 HydrophobicContact CZ-CZ 4.31Å; I143-F160 HydrophobicContact CG2-CE1 4.21Å; V147-F160 HydrophobicContact CG1-CD1 4.14Å; V147-F160 HydrophobicContact CG2-CD1 4.08Å; V147-F160 HydrophobicContact CG2-CE1 3.76Å; G156-F160 WeakPolarHBondContact O-CB 3.33Å; G156-F160 PolarHBondContact O-N 3.01Å; E158-F160 VanDerWaalsContact C-N 3.29Å; E158-F160 PolarHBondContact O-N 3.45Å; F160-I162 VanDerWaalsContact C-N 3.34Å; F160-I162 PolarHBondContact O-N 2.79Å; F160-Y163 WeakPolarHBondContact O-CB 3.08Å; F160-Y163 PolarHBondContact O-N 2.92Å; F160-L164 HydrophobicContact CD1-CD1 3.92Å; F160-L164 HydrophobicContact CD1-CG 4.23Å; F160-L164 HydrophobicContact CE1-CD1 3.67Å; F160-L164 HydrophobicContact CE1-CD2 4.27Å; F160-L164 HydrophobicContact CE1-CG 4Å; F160-L164 HydrophobicContact CZ-CD2 4.32Å; F160-L164 HydrophobicContact CZ-CG 4.44Å; F160-L164 WeakPolarHBondContact O-CG 3.26Å; F160-L164 PolarHBondContact O-N 2.94Å
161L97.9Very high94.8Very high0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-65.5-37.1176.3-73.8175.2000112.3V147 L148 I157 E158 Y163 L164 G165 I186 Y189 F190V147-L161 HydrophobicContact CB-CD2 4.31Å; V147-L161 HydrophobicContact CG1-CD2 3.56Å; V147-L161 HydrophobicContact CG1-CG 4.01Å; L148-L161 HydrophobicContact CD2-CD1 4.36Å; L148-L161 HydrophobicContact CD2-CD2 3.89Å; L148-L161 HydrophobicContact CG-CD2 4.44Å; I157-L161 HydrophobicContact CD1-CD1 4.19Å; I157-L161 HydrophobicContact CD1-CG 4.33Å; I157-L161 HydrophobicContact CG1-CD1 4.09Å; I157-L161 WeakPolarHBondContact O-CB 3.26Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 3.44Å; E158-L161 PolarHBondContact O-N 3.06Å; L161-Y163 VanDerWaalsContact C-N 3.35Å; L161-L164 HydrophobicContact CD2-CD1 4.35Å; L161-L164 PolarHBondContact O-N 3.12Å; L161-G165 PolarHBondContact O-N 3.27Å; L161-I186 HydrophobicContact CB-CG2 4.25Å; L161-I186 HydrophobicContact CD2-CG1 4.43Å; L161-Y189 HydrophobicContact CD1-CD1 3.54Å; L161-Y189 HydrophobicContact CD1-CE1 3.66Å; L161-Y189 HydrophobicContact CD1-CG 4.28Å; L161-F190 HydrophobicContact CB-CE2 3.67Å; L161-F190 HydrophobicContact CB-CZ 4.12Å; L161-F190 HydrophobicContact CD1-CD2 4.32Å; L161-F190 HydrophobicContact CD1-CE2 3.73Å; L161-F190 HydrophobicContact CD1-CZ 4.42Å; L161-F190 HydrophobicContact CG-CE2 4.37Å
162I97.5Very high94.8Very high15 Ų1535.9 Ų35.98%0.07719%0.19CC..Hα-helixtrans-61.8-46.2172.9-72.7169.6000110.2E158 F160 L164 G165 S166 F190 Q206 L207 L210 L212E158-I162 WeakPolarHBondContact O-CB 3.42Å; E158-I162 VanDerWaalsContact O-CG1 3.22Å; E158-I162 WeakPolarHBondContact O-CG1 3.45Å; E158-I162 PolarHBondContact O-N 3.15Å; F160-I162 VanDerWaalsContact C-N 3.34Å; F160-I162 PolarHBondContact O-N 2.79Å; I162-L164 PolarHBondContact O-N 3.39Å; I162-G165 PolarHBondContact O-N 3.45Å; I162-S166 PolarHBondContact O-N 3.17Å; I162-S166 PolarHBondContact O-OG 3.28Å; I162-F190 HydrophobicContact CG1-CZ 4.15Å; I162-Q206 HydrophobicContact CD1-CG 3.99Å; I162-Q206 VanDerWaalsContact CD1-NE2 3.3Å; I162-L207 HydrophobicContact CG1-CD2 3.8Å; I162-L210 HydrophobicContact CG2-CD1 3.43Å; I162-L210 VanDerWaalsContact CG2-CD1 3.43Å; I162-L212 HydrophobicContact CG2-CD1 4.11Å
163Y96.9Very high94.4Very high26 Ų2639.1 Ų39.110%0.10221%0.213CC..Hα-helixtrans-58.5-45.8175.7169.7-92.3000112L122 F125 K126 E159 F160 L161 G165 S166 D167L122-Y163 VanDerWaalsContact CD1-CB 3.41Å; L122-Y163 HydrophobicContact CD1-CD1 3.93Å; L122-Y163 HydrophobicContact CD1-CD2 3.83Å; L122-Y163 HydrophobicContact CD1-CG 3.42Å; L122-Y163 VanDerWaalsContact CD1-CG 3.42Å; F125-Y163 HydrophobicContact CB-CD1 4.42Å; F125-Y163 HydrophobicContact CB-CE1 3.62Å; F125-Y163 HydrophobicContact CG-CE1 4.41Å; F125-Y163 PolarHBondContact O-OH 2.87Å; F125-Y163 VanDerWaalsContact O-OH 3.1Å; K126-Y163 HydrophobicContact CG-CD2 4.17Å; K126-Y163 HydrophobicContact CG-CE2 3.72Å; E159-Y163 WeakPolarHBondContact O-CB 3.47Å; E159-Y163 PolarHBondContact O-N 2.88Å; F160-Y163 WeakPolarHBondContact O-CB 3.08Å; F160-Y163 PolarHBondContact O-N 2.92Å; L161-Y163 VanDerWaalsContact C-N 3.35Å; Y163-G165 VanDerWaalsContact C-N 3.31Å; Y163-G165 PolarHBondContact O-N 2.91Å; Y163-S166 PolarHBondContact O-N 3.04Å; Y163-D167 HydrophobicContact CE1-CB 4.31Å; Y163-D167 WeakPolarHBondContact O-CB 3.33Å; Y163-D167 PolarHBondContact O-N 3.41Å
164L95.8Very high94.2Very high0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-59.5-42.4176.2-71.8179.3000111.6F140 I143 F160 L161 I162 D167 A168F140-L164 HydrophobicContact CD2-CD2 4.26Å; F140-L164 HydrophobicContact CE2-CB 3.98Å; F140-L164 HydrophobicContact CE2-CD2 4.06Å; F140-L164 WeakPolarHBondContact CE2-O 3.49Å; I143-L164 HydrophobicContact CG2-CD1 3.93Å; I143-L164 HydrophobicContact CG2-CD2 4.06Å; F160-L164 HydrophobicContact CD1-CD1 3.92Å; F160-L164 HydrophobicContact CD1-CG 4.23Å; F160-L164 HydrophobicContact CE1-CD1 3.67Å; F160-L164 HydrophobicContact CE1-CD2 4.27Å; F160-L164 HydrophobicContact CE1-CG 4Å; F160-L164 HydrophobicContact CZ-CD2 4.32Å; F160-L164 HydrophobicContact CZ-CG 4.44Å; F160-L164 WeakPolarHBondContact O-CG 3.26Å; F160-L164 PolarHBondContact O-N 2.94Å; L161-L164 HydrophobicContact CD2-CD1 4.35Å; L161-L164 PolarHBondContact O-N 3.12Å; I162-L164 PolarHBondContact O-N 3.39Å; L164-D167 PolarHBondContact O-N 3.02Å; L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 2.86Å
165G95.6Very high94Very high1 Ų144.4 Ų44.41%0.0123%0.231CC..Hα-helixtrans-61.1-47.5175.400000112.7L161 I162 Y163 A168 V169L161-G165 PolarHBondContact O-N 3.27Å; I162-G165 PolarHBondContact O-N 3.45Å; Y163-G165 VanDerWaalsContact C-N 3.31Å; Y163-G165 PolarHBondContact O-N 2.91Å; G165-A168 PolarHBondContact O-N 3.39Å; G165-V169 WeakPolarHBondContact O-CG2 3.36Å; G165-V169 PolarHBondContact O-N 3.36Å
166S95Very high93.6Very high41 Ų4146.3 Ų46.329%0.28724%0.238SC..Hα-helixtrans-63.3-45.8176.4-66.50000112.4I162 Y163 A168 V169 D170I162-S166 PolarHBondContact O-N 3.17Å; I162-S166 PolarHBondContact O-OG 3.28Å; Y163-S166 PolarHBondContact O-N 3.04Å; S166-A168 VanDerWaalsContact C-N 3.25Å; S166-A168 PolarHBondContact O-N 3.44Å; S166-V169 PolarHBondContact O-N 2.88Å; S166-D170 VanDerWaalsContact O-CG 3.25Å; S166-D170 PolarHBondContact O-N 3Å
167D93.7Very high93.4Very high1 Ų153.7 Ų53.71%0.00527%0.269CS..Hα-helixtrans-62.2-36179.7-16650000111.7K129 Y163 L164 D170 R171K129-D167 VanDerWaalsContact CD-OD1 3.24Å; K129-D167 WeakPolarHBondContact CD-OD1 3.11Å; K129-D167 WeakPolarHBondContact CE-OD1 3.12Å; K129-D167 IonicContact NZ-OD1 2.66Å; K129-D167 PolarHBondContact NZ-OD1 3.02Å; Y163-D167 HydrophobicContact CE1-CB 4.31Å; Y163-D167 WeakPolarHBondContact O-CB 3.33Å; Y163-D167 PolarHBondContact O-N 3.41Å; L164-D167 PolarHBondContact O-N 3.02Å; D167-D170 PolarHBondContact O-N 3.37Å; D167-R171 VanDerWaalsContact CG-NE 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.47Å; D167-R171 WeakPolarHBondContact O-CG 3.31Å; D167-R171 PolarHBondContact O-N 3.42Å; D167-R171 IonicContact OD1-CZ 3.58Å; D167-R171 IonicContact OD1-NE 3.85Å; D167-R171 PolarHBondContact OD1-NE 3.15Å; D167-R171 IonicContact OD1-NH2 3.32Å; D167-R171 WeakPolarHBondContact OD2-CD 3.37Å; D167-R171 IonicContact OD2-CZ 3.93Å; D167-R171 IonicContact OD2-NE 3.1Å; D167-R171 PolarHBondContact OD2-NE 3.14Å; D167-R171 IonicContact OD2-NH2 2.98Å
168A93Very high93.1Very high0 Ų056.9 Ų56.90%028%0.284CS..Hα-helixtrans-65-44.8177.700000113F140 L164 G165 S166 D170 W172 V179F140-A168 HydrophobicContact CE1-CB 3.92Å; F140-A168 HydrophobicContact CE2-CB 3.92Å; F140-A168 HydrophobicContact CZ-CB 3.41Å; F140-A168 VanDerWaalsContact CZ-CB 3.41Å; L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 2.86Å; G165-A168 PolarHBondContact O-N 3.39Å; S166-A168 VanDerWaalsContact C-N 3.25Å; S166-A168 PolarHBondContact O-N 3.44Å; A168-D170 VanDerWaalsContact C-N 3.32Å; A168-W172 HydrophobicContact CB-CE3 4.12Å; A168-W172 HydrophobicContact CB-CZ3 4.26Å; A168-W172 PolarHBondContact O-N 2.74Å; A168-V179 HydrophobicContact CB-CG1 4.31Å; A168-V179 HydrophobicContact CB-CG2 4.47Å
169V93.2Very high92.8Very high61 Ų6155.7 Ų55.737%0.3728%0.279SS..Hα-helixtrans-63.4-41176.81740000110.8G165 S166 V179 L183 L212G165-V169 WeakPolarHBondContact O-CG2 3.36Å; G165-V169 PolarHBondContact O-N 3.36Å; S166-V169 PolarHBondContact O-N 2.88Å; V169-V179 HydrophobicContact CG2-CG1 3.98Å; V169-L183 HydrophobicContact CG2-CD1 4.01Å; V169-L212 HydrophobicContact CG2-CD2 4.09Å
170D91.2Very high92.6Very high105 Ų10553.2 Ų53.256%0.56127%0.274SS*.Hα-helixtrans-65.9-49.5179.1-68.6-15.4000112.2K129 S166 D167 A168K129-D170 IonicContact NZ-OD2 3.37Å; K129-D170 PolarHBondContact NZ-OD2 2.94Å; S166-D170 VanDerWaalsContact O-CG 3.25Å; S166-D170 PolarHBondContact O-N 3Å; D167-D170 PolarHBondContact O-N 3.37Å; A168-D170 VanDerWaalsContact C-N 3.32Å
171R89.6Confident92.3Very high82 Ų8257.8 Ų57.831%0.30930%0.298SS..Hα-helixtrans-84.1-36.6-168.9-70.1-177.4-175.6-113.58.7114K129 D167K129-R171 VanDerWaalsContact CG-NH2 3.33Å; D167-R171 VanDerWaalsContact CG-NE 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.47Å; D167-R171 WeakPolarHBondContact O-CG 3.31Å; D167-R171 PolarHBondContact O-N 3.42Å; D167-R171 IonicContact OD1-CZ 3.58Å; D167-R171 IonicContact OD1-NE 3.85Å; D167-R171 PolarHBondContact OD1-NE 3.15Å; D167-R171 IonicContact OD1-NH2 3.32Å; D167-R171 WeakPolarHBondContact OD2-CD 3.37Å; D167-R171 IonicContact OD2-CZ 3.93Å; D167-R171 IonicContact OD2-NE 3.1Å; D167-R171 PolarHBondContact OD2-NE 3.14Å; D167-R171 IonicContact OD2-NH2 2.98Å
172W90.8Very high92Very high25 Ų2558.3 Ų58.310%0.09530%0.301CS..  trans-121.236.2-170.6-56.7-70000112.3Y135 L137 F140 A168 I174 H175 V179Y135-W172 AromaticContact CD1-CH2 3.68Å; Y135-W172 HydrophobicContact CD1-CH2 3.68Å; Y135-W172 HydrophobicContact CD1-CZ2 4.2Å; Y135-W172 AromaticContact CE1-CH2 3.74Å; Y135-W172 HydrophobicContact CE1-CH2 3.74Å; Y135-W172 WeakPolarHBondContact O-CZ2 3.47Å; L137-W172 HydrophobicContact CD1-CD2 3.97Å; L137-W172 HydrophobicContact CD1-CE3 4.12Å; L137-W172 HydrophobicContact CD1-CG 4.18Å; F140-W172 HydrophobicContact CB-CH2 3.48Å; F140-W172 VanDerWaalsContact CB-CH2 3.48Å; F140-W172 HydrophobicContact CB-CZ2 4.23Å; F140-W172 HydrophobicContact CB-CZ3 3.79Å; F140-W172 HydrophobicContact CD1-CE3 4.41Å; F140-W172 HydrophobicContact CD1-CH2 4.47Å; F140-W172 AromaticContact CD1-CZ3 3.92Å; F140-W172 HydrophobicContact CD1-CZ3 3.92Å; F140-W172 AromaticContact CD2-CH2 3.97Å; F140-W172 HydrophobicContact CD2-CH2 3.97Å; F140-W172 AromaticContact CD2-CZ3 3.63Å; F140-W172 HydrophobicContact CD2-CZ3 3.63Å; F140-W172 HydrophobicContact CE1-CZ3 4.41Å; F140-W172 HydrophobicContact CE2-CZ3 4.17Å; F140-W172 HydrophobicContact CG-CE3 4.38Å; F140-W172 AromaticContact CG-CH2 3.73Å; F140-W172 HydrophobicContact CG-CH2 3.73Å; F140-W172 AromaticContact CG-CZ3 3.49Å; F140-W172 HydrophobicContact CG-CZ3 3.49Å; F140-W172 VanDerWaalsContact CG-CZ3 3.49Å; A168-W172 HydrophobicContact CB-CE3 4.12Å; A168-W172 HydrophobicContact CB-CZ3 4.26Å; A168-W172 PolarHBondContact O-N 2.74Å; W172-I174 PolarHBondContact O-N 2.92Å; W172-H175 HydrophobicContact CB-CB 4.19Å; W172-H175 CarbonylContact O-C 3.53Å; W172-H175 WeakPolarHBondContact O-CA 3.38Å; W172-H175 PolarHBondContact O-N 3.32Å; W172-V179 HydrophobicContact CB-CG2 3.83Å; W172-V179 WeakPolarHBondContact O-CG2 3.48Å
173S85.2Confident91.9Very high75 Ų7558.2 Ų58.252%0.52430%0.301SS..THydrogen-bonded Turntrans-54.2-23.3174.757.90000114.3Q176S173-Q176 VanDerWaalsContact O-CG 3.27Å; S173-Q176 WeakPolarHBondContact O-CG 3.42Å
174I88.4Confident91.7Very high153 Ų15359.2 Ų59.279%0.78531%0.307SS*.THydrogen-bonded Turntrans-72-33.8173.4-58.9173.7000111.6W172 Q176W172-I174 PolarHBondContact O-N 2.92Å; I174-Q176 PolarHBondContact O-N 2.9Å
175H89Confident91.7Very high81 Ų8165 Ų6538%0.37533%0.329SS..  trans-93.661.7-179.4-64.4-77.6000111L137 W172 E177 E178 V179L137-H175 HydrophobicContact CD2-CB 4.37Å; W172-H175 HydrophobicContact CB-CB 4.19Å; W172-H175 CarbonylContact O-C 3.53Å; W172-H175 WeakPolarHBondContact O-CA 3.38Å; W172-H175 PolarHBondContact O-N 3.32Å; H175-E177 VanDerWaalsContact C-N 3.28Å; H175-E177 PolarHBondContact O-N 3.12Å; H175-E178 HydrophobicContact CB-CB 4.44Å; H175-E178 WeakPolarHBondContact CB-OE2 2.98Å; H175-E178 IonicContact ND1-OE1 3.25Å; H175-E178 PolarHBondContact O-N 3.06Å; H175-V179 VanDerWaalsContact O-CG2 3.31Å; H175-V179 WeakPolarHBondContact O-CG2 3.27Å; H175-V179 PolarHBondContact O-N 3.09Å
176Q88.8Confident91.7Very high151 Ų15165 Ų6571%0.70633%0.329SS*.Hα-helixtrans-60.9-34.7-171.3-66.9-172.2-11.200113.6S173 I174 S180S173-Q176 VanDerWaalsContact O-CG 3.27Å; S173-Q176 WeakPolarHBondContact O-CG 3.42Å; I174-Q176 PolarHBondContact O-N 2.9Å; Q176-S180 WeakPolarHBondContact O-CB 3.34Å; Q176-S180 PolarHBondContact O-N 3.18Å
177E91.2Very high91.8Very high165 Ų16563.1 Ų63.177%0.77132%0.315SS*.Hα-helixtrans-69.9-47-177.9-65.1-173.4176.700111.4H175 S180 L181H175-E177 VanDerWaalsContact C-N 3.28Å; H175-E177 PolarHBondContact O-N 3.12Å; E177-S180 PolarHBondContact O-N 3.15Å; E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 PolarHBondContact O-N 3Å
178E90.6Very high91.8Very high72 Ų7263.9 Ų63.934%0.33632%0.321SS..Hα-helixtrans-66.6-42.3179.7-59.992.7147.600111.3L137 H175 L181 C182L137-E178 HydrophobicContact CD2-CB 3.93Å; L137-E178 HydrophobicContact CD2-CG 4.03Å; H175-E178 HydrophobicContact CB-CB 4.44Å; H175-E178 WeakPolarHBondContact CB-OE2 2.98Å; H175-E178 IonicContact ND1-OE1 3.25Å; H175-E178 PolarHBondContact O-N 3.06Å; E178-L181 PolarHBondContact O-N 3.46Å; E178-C182 PolarHBondContact O-N 2.93Å
179V90.9Very high91.9Very high11 Ų1164 Ų647%0.06732%0.321CS..Hα-helixtrans-62-46.1173.9173.60000110.6A168 V169 W172 H175 L181 C182 L183A168-V179 HydrophobicContact CB-CG1 4.31Å; A168-V179 HydrophobicContact CB-CG2 4.47Å; V169-V179 HydrophobicContact CG2-CG1 3.98Å; W172-V179 HydrophobicContact CB-CG2 3.83Å; W172-V179 WeakPolarHBondContact O-CG2 3.48Å; H175-V179 VanDerWaalsContact O-CG2 3.31Å; H175-V179 WeakPolarHBondContact O-CG2 3.27Å; H175-V179 PolarHBondContact O-N 3.09Å; V179-L181 VanDerWaalsContact C-N 3.35Å; V179-L181 PolarHBondContact O-N 3.45Å; V179-C182 PolarHBondContact O-N 3.28Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 HydrophobicContact CG1-CG 4.35Å; V179-L183 WeakPolarHBondContact O-CG 3.33Å; V179-L183 PolarHBondContact O-N 3.4Å
180S91.6Very high92Very high53 Ų5361 Ų6137%0.37130%0.303SS..Hα-helixtrans-60.5-42.7178-178.70000112.2Q176 E177 C182 L183 M184Q176-S180 WeakPolarHBondContact O-CB 3.34Å; Q176-S180 PolarHBondContact O-N 3.18Å; E177-S180 PolarHBondContact O-N 3.15Å; S180-C182 VanDerWaalsContact C-N 3.35Å; S180-C182 PolarHBondContact O-N 2.81Å; S180-L183 PolarHBondContact O-N 2.95Å; S180-M184 WeakPolarHBondContact O-CB 3.48Å; S180-M184 PolarHBondContact O-N 3.15Å
181L92.3Very high92.2Very high95 Ų9556 Ų5650%0.49728%0.277SS..Hα-helixtrans-62.3-42.5175.8-177.963.9000111.5E177 E178 V179 M184 R185E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 PolarHBondContact O-N 3Å; E178-L181 PolarHBondContact O-N 3.46Å; V179-L181 VanDerWaalsContact C-N 3.35Å; V179-L181 PolarHBondContact O-N 3.45Å; L181-M184 WeakPolarHBondContact O-CB 3.35Å; L181-M184 PolarHBondContact O-N 3.35Å; L181-R185 WeakPolarHBondContact O-CG 3.36Å; L181-R185 PolarHBondContact O-N 3.45Å
182C91.9Very high92.3Very high11 Ų1156 Ų567%0.07428%0.277CS..Hα-helixtrans-62.2-49.6175.5-175.40000111.8F140 E178 V179 S180 M184 R185 I186F140-C182 HydrophobicContact CE1-CB 3.89Å; F140-C182 WeakPolarHBondContact CE1-SG 3.45Å; F140-C182 HydrophobicContact CZ-CB 4.33Å; F140-C182 WeakPolarHBondContact CZ-SG 3.31Å; E178-C182 PolarHBondContact O-N 2.93Å; V179-C182 PolarHBondContact O-N 3.28Å; S180-C182 VanDerWaalsContact C-N 3.35Å; S180-C182 PolarHBondContact O-N 2.81Å; C182-M184 PolarHBondContact O-N 3.44Å; C182-R185 WeakPolarHBondContact O-CA 3.39Å; C182-R185 WeakPolarHBondContact O-CB 3.26Å; C182-R185 PolarHBondContact O-N 3.4Å; C182-I186 WeakPolarHBondContact O-CG1 3.35Å; C182-I186 PolarHBondContact O-N 3.16Å
183L94.9Very high92.4Very high14 Ų1455.6 Ų55.67%0.07328%0.275CS..Hα-helixtrans-59-35.7177.3-67.7179.4000112.1V169 V179 S180 I186 S187 L212V169-L183 HydrophobicContact CG2-CD1 4.01Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 HydrophobicContact CG1-CG 4.35Å; V179-L183 WeakPolarHBondContact O-CG 3.33Å; V179-L183 PolarHBondContact O-N 3.4Å; S180-L183 PolarHBondContact O-N 2.95Å; L183-I186 PolarHBondContact O-N 3.39Å; L183-S187 VanDerWaalsContact O-CB 3.25Å; L183-S187 WeakPolarHBondContact O-CB 3.19Å; L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 3.03Å; L183-L212 HydrophobicContact CD2-CB 4.26Å; L183-L212 HydrophobicContact CD2-CD2 4.1Å
184M94.1Very high92.8Very high47 Ų4752 Ų5223%0.23225%0.251CS..Hα-helixtrans-64.8-41.4173.2-170.5-168.1-59.700111.9S180 L181 C182 S188 T214S180-M184 WeakPolarHBondContact O-CB 3.48Å; S180-M184 PolarHBondContact O-N 3.15Å; L181-M184 WeakPolarHBondContact O-CB 3.35Å; L181-M184 PolarHBondContact O-N 3.35Å; C182-M184 PolarHBondContact O-N 3.44Å; M184-S188 VanDerWaalsContact O-CB 3.24Å; M184-S188 WeakPolarHBondContact O-CB 3.3Å; M184-S188 PolarHBondContact O-N 3.16Å; M184-S188 PolarHBondContact O-OG 2.89Å; M184-T214 HydrophobicContact CB-CG2 3.97Å; M184-T214 HydrophobicContact CE-CG2 4.44Å; M184-T214 HydrophobicContact CG-CG2 4.39Å
185R94.7Very high93Very high121 Ų12144.8 Ų44.846%0.45721%0.213SC..Hα-helixtrans-66.2-41.9176.5-68.2174.282.8-178.64.2111.5L148 L181 C182 S188 Y189L148-R185 HydrophobicContact CD1-CB 3.8Å; L181-R185 WeakPolarHBondContact O-CG 3.36Å; L181-R185 PolarHBondContact O-N 3.45Å; C182-R185 WeakPolarHBondContact O-CA 3.39Å; C182-R185 WeakPolarHBondContact O-CB 3.26Å; C182-R185 PolarHBondContact O-N 3.4Å; R185-S188 PolarHBondContact O-N 3.4Å; R185-Y189 PolarHBondContact O-N 3.35Å
186I96.3Very high93.1Very high2 Ų240.9 Ų40.91%0.0120%0.195CC..Hα-helixtrans-61.6-53.9173.9-65.9173.3000109.8L148 L161 C182 L183 S188 Y189 F190L148-I186 HydrophobicContact CD2-CG1 4.37Å; L161-I186 HydrophobicContact CB-CG2 4.25Å; L161-I186 HydrophobicContact CD2-CG1 4.43Å; C182-I186 WeakPolarHBondContact O-CG1 3.35Å; C182-I186 PolarHBondContact O-N 3.16Å; L183-I186 PolarHBondContact O-N 3.39Å; I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 2.99Å; I186-Y189 WeakPolarHBondContact O-CA 3.37Å; I186-Y189 WeakPolarHBondContact O-CB 3.1Å; I186-Y189 PolarHBondContact O-N 2.98Å; I186-F190 HydrophobicContact CG2-CD2 3.78Å; I186-F190 HydrophobicContact CG2-CE2 3.67Å; I186-F190 WeakPolarHBondContact O-CD2 3.44Å; I186-F190 PolarHBondContact O-N 3.35Å
187S95.6Very high93.3Very high0 Ų038.1 Ų38.10%018%0.181CC..Hα-helixtrans-56.8-40.8179-60.40000112L183 F190 L191 T214L183-S187 VanDerWaalsContact O-CB 3.25Å; L183-S187 WeakPolarHBondContact O-CB 3.19Å; L183-S187 PolarHBondContact O-N 3.4Å; L183-S187 PolarHBondContact O-OG 3.03Å; S187-F190 PolarHBondContact O-N 3.35Å; S187-L191 WeakPolarHBondContact O-CG 3.13Å; S187-L191 PolarHBondContact O-N 3.04Å; S187-T214 WeakPolarHBondContact CB-O 3.44Å; S187-T214 PolarHBondContact OG-N 3.4Å; S187-T214 PolarHBondContact OG-O 3.34Å
188S94.8Very high93.3Very high18 Ų1832.6 Ų32.613%0.12616%0.157CC..Hα-helixtrans-64.3-38.6174.7-62.30000112.3M184 R185 I186 R192M184-S188 VanDerWaalsContact O-CB 3.24Å; M184-S188 WeakPolarHBondContact O-CB 3.3Å; M184-S188 PolarHBondContact O-N 3.16Å; M184-S188 PolarHBondContact O-OG 2.89Å; R185-S188 PolarHBondContact O-N 3.4Å; I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 2.99Å; S188-R192 WeakPolarHBondContact O-CB 3.46Å; S188-R192 PolarHBondContact O-N 3.31Å
189Y95.3Very high93.3Very high1 Ų132.7 Ų32.70%0.00416%0.157CC..Hα-helixtrans-64-45.9174.2178-80.4000111.7L148 K150 I157 L161 R185 I186 R192 K193 V194L148-Y189 HydrophobicContact CB-CD2 4.11Å; L148-Y189 VanDerWaalsContact CD2-CB 3.4Å; L148-Y189 HydrophobicContact CD2-CD1 4.44Å; L148-Y189 HydrophobicContact CD2-CD2 3.77Å; L148-Y189 HydrophobicContact CD2-CG 3.64Å; L148-Y189 WeakPolarHBondContact O-CD2 3.35Å; L148-Y189 WeakPolarHBondContact O-CE2 3.11Å; K150-Y189 WeakPolarHBondContact O-CE2 3.29Å; K150-Y189 PolarHBondContact O-OH 3.34Å; I157-Y189 HydrophobicContact CG1-CE1 4.14Å; L161-Y189 HydrophobicContact CD1-CD1 3.54Å; L161-Y189 HydrophobicContact CD1-CE1 3.66Å; L161-Y189 HydrophobicContact CD1-CG 4.28Å; R185-Y189 PolarHBondContact O-N 3.35Å; I186-Y189 WeakPolarHBondContact O-CA 3.37Å; I186-Y189 WeakPolarHBondContact O-CB 3.1Å; I186-Y189 PolarHBondContact O-N 2.98Å; Y189-R192 PolarHBondContact O-N 2.73Å; Y189-K193 HydrophobicContact CD2-CD 3.7Å; Y189-K193 HydrophobicContact CE1-CB 4.41Å; Y189-K193 HydrophobicContact CE2-CD 3.31Å; Y189-K193 HydrophobicContact CE2-CG 4.49Å; Y189-K193 HydrophobicContact CG-CD 4.47Å; Y189-K193 WeakPolarHBondContact O-CB 3.47Å; Y189-K193 PolarHBondContact O-N 3.23Å; Y189-V194 HydrophobicContact CD1-CG2 3.82Å; Y189-V194 HydrophobicContact CE1-CG2 3.56Å
190F95.5Very high93.3Very high0 Ų035.2 Ų35.20%017%0.171CC..Iπ-helixtrans-59.1-50.7176.8-86.4-100.9000111.2E158 L161 I162 I186 S187 R192 V194 V195 C203 I204 L207E158-F190 HydrophobicContact CB-CE1 4.18Å; E158-F190 HydrophobicContact CB-CZ 4.27Å; E158-F190 HydrophobicContact CG-CE1 4.02Å; E158-F190 HydrophobicContact CG-CZ 4.43Å; L161-F190 HydrophobicContact CB-CE2 3.67Å; L161-F190 HydrophobicContact CB-CZ 4.12Å; L161-F190 HydrophobicContact CD1-CD2 4.32Å; L161-F190 HydrophobicContact CD1-CE2 3.73Å; L161-F190 HydrophobicContact CD1-CZ 4.42Å; L161-F190 HydrophobicContact CG-CE2 4.37Å; I162-F190 HydrophobicContact CG1-CZ 4.15Å; I186-F190 HydrophobicContact CG2-CD2 3.78Å; I186-F190 HydrophobicContact CG2-CE2 3.67Å; I186-F190 WeakPolarHBondContact O-CD2 3.44Å; I186-F190 PolarHBondContact O-N 3.35Å; S187-F190 PolarHBondContact O-N 3.35Å; F190-R192 PolarHBondContact O-N 3.39Å; F190-V194 HydrophobicContact CB-CB 4.5Å; F190-V194 HydrophobicContact CD1-CB 4.08Å; F190-V194 HydrophobicContact CD1-CG1 4.1Å; F190-V194 HydrophobicContact CD1-CG2 4.11Å; F190-V194 HydrophobicContact CE1-CG1 4.44Å; F190-V194 HydrophobicContact CG-CB 4.43Å; F190-V194 HydrophobicContact CG-CG2 4.24Å; F190-V194 CarbonylContact O-C 3.56Å; F190-V194 WeakPolarHBondContact O-CA 3.21Å; F190-V194 WeakPolarHBondContact O-CB 3.45Å; F190-V194 PolarHBondContact O-N 3.46Å; F190-V195 WeakPolarHBondContact O-CG2 3.43Å; F190-V195 PolarHBondContact O-N 3.21Å; F190-C203 HydrophobicContact CD1-CB 3.64Å; F190-C203 HydrophobicContact CE1-CB 3.8Å; F190-I204 HydrophobicContact CB-CD1 3.72Å; F190-L207 HydrophobicContact CB-CD1 4.01Å; F190-L207 HydrophobicContact CD1-CD1 3.97Å; F190-L207 HydrophobicContact CD2-CD1 3.78Å; F190-L207 HydrophobicContact CE1-CD1 4.36Å; F190-L207 HydrophobicContact CE2-CD1 4.17Å; F190-L207 HydrophobicContact CE2-CD2 4.48Å; F190-L207 HydrophobicContact CG-CD1 3.65Å; F190-L207 HydrophobicContact CZ-CD1 4.45Å
191L94.5Very high93.3Very high0 Ų032.8 Ų32.80%015%0.153CC..Iπ-helixtrans-61.8-41.8177.5-70.1166.8000112.5S187 P196 F201 I204 Y213 P216 W222 V225 W229 T259S187-L191 WeakPolarHBondContact O-CG 3.13Å; S187-L191 PolarHBondContact O-N 3.04Å; L191-P196 WeakPolarHBondContact O-CD 3.48Å; L191-F201 HydrophobicContact CD2-CE1 4.01Å; L191-I204 HydrophobicContact CD2-CD1 3.68Å; L191-I204 HydrophobicContact CD2-CG1 3.99Å; L191-I204 HydrophobicContact CG-CD1 3.81Å; L191-Y213 HydrophobicContact CD1-CE2 4.19Å; L191-Y213 HydrophobicContact CG-CE2 4.39Å; L191-P216 HydrophobicContact CD1-CG 4.18Å; L191-W222 HydrophobicContact CD1-CH2 3.98Å; L191-W222 HydrophobicContact CD1-CZ3 4.02Å; L191-V225 HydrophobicContact CB-CG1 3.3Å; L191-V225 HydrophobicContact CD1-CG1 4.1Å; L191-V225 HydrophobicContact CG-CG1 4.34Å; L191-W229 PolarHBondContact O-NE1 3.18Å; L191-T259 HydrophobicContact CD2-CG2 4.29Å
192R93Very high93.3Very high82 Ų8229.9 Ų29.931%0.30915%0.146SC..Iπ-helixtrans-78.2-39.1-172.6-177.817965.3173.40.1113.3S188 Y189 F190 P196 V225 Q228S188-R192 WeakPolarHBondContact O-CB 3.46Å; S188-R192 PolarHBondContact O-N 3.31Å; Y189-R192 PolarHBondContact O-N 2.73Å; F190-R192 PolarHBondContact O-N 3.39Å; R192-P196 VanDerWaalsContact O-CG 3.24Å; R192-P196 WeakPolarHBondContact O-CG 3.2Å; R192-V225 WeakPolarHBondContact CA-O 3.47Å; R192-V225 HydrophobicContact CB-CG1 4.24Å; R192-V225 WeakPolarHBondContact CG-O 3.47Å; R192-Q228 HydrophobicContact CG-CB 3.95Å; R192-Q228 HydrophobicContact CG-CG 3.74Å; R192-Q228 WeakPolarHBondContact O-CB 3.4Å
193K92.5Very high93.3Very high15 Ų1529.5 Ų29.57%0.06514%0.144CC..Iπ-helixtrans-116.4-48.2-170.7-75.3177.8161.1-172.80113L148 E149 K150 P152 Y189 P196 F197 Q228L148-K193 PolarHBondContact O-NZ 2.81Å; E149-K193 PolarHBondContact O-NZ 3.27Å; E149-K193 VanDerWaalsContact O-NZ 3.16Å; K150-K193 PolarHBondContact O-NZ 3.37Å; P152-K193 HydrophobicContact CB-CB 4.31Å; P152-K193 HydrophobicContact CG-CB 4.18Å; Y189-K193 HydrophobicContact CD2-CD 3.7Å; Y189-K193 HydrophobicContact CE1-CB 4.41Å; Y189-K193 HydrophobicContact CE2-CD 3.31Å; Y189-K193 HydrophobicContact CE2-CG 4.49Å; Y189-K193 HydrophobicContact CG-CD 4.47Å; Y189-K193 WeakPolarHBondContact O-CB 3.47Å; Y189-K193 PolarHBondContact O-N 3.23Å; K193-P196 WeakPolarHBondContact O-CD 3.22Å; K193-P196 WeakPolarHBondContact O-CG 3.42Å; K193-F197 WeakPolarHBondContact O-CB 3.47Å; K193-F197 PolarHBondContact O-N 3.48Å; K193-Q228 VanDerWaalsContact CG-OE1 3.23Å
194V93.4Very high93.3Very high1 Ų128.8 Ų28.81%0.00614%0.14CC..Iπ-helixtrans-75.4-46.7-172.2-175.70000111.9P152 E158 Y189 F190 F197 N198 C203P152-V194 HydrophobicContact CB-CG2 4.33Å; E158-V194 HydrophobicContact CG-CG1 3.96Å; E158-V194 VanDerWaalsContact OE1-CG1 3.29Å; E158-V194 WeakPolarHBondContact OE1-CG1 3.31Å; Y189-V194 HydrophobicContact CD1-CG2 3.82Å; Y189-V194 HydrophobicContact CE1-CG2 3.56Å; F190-V194 HydrophobicContact CB-CB 4.5Å; F190-V194 HydrophobicContact CD1-CB 4.08Å; F190-V194 HydrophobicContact CD1-CG1 4.1Å; F190-V194 HydrophobicContact CD1-CG2 4.11Å; F190-V194 HydrophobicContact CE1-CG1 4.44Å; F190-V194 HydrophobicContact CG-CB 4.43Å; F190-V194 HydrophobicContact CG-CG2 4.24Å; F190-V194 CarbonylContact O-C 3.56Å; F190-V194 WeakPolarHBondContact O-CA 3.21Å; F190-V194 WeakPolarHBondContact O-CB 3.45Å; F190-V194 PolarHBondContact O-N 3.46Å; V194-F197 PolarHBondContact O-N 2.83Å; V194-F197 VanDerWaalsContact O-N 3.16Å; V194-N198 WeakPolarHBondContact CG1-ND2 3.4Å; V194-N198 WeakPolarHBondContact O-CB 3.4Å; V194-N198 PolarHBondContact O-N 3.18Å; V194-C203 HydrophobicContact CG1-CB 4.16Å
195V93.3Very high93.2Very high0 Ų030.4 Ų30.40%014%0.144CC..Hα-helixtrans-55.4-51.1177.1169.20000112.4F190 F197 Q199 N200 F201 I204 W229 L245F190-V195 WeakPolarHBondContact O-CG2 3.43Å; F190-V195 PolarHBondContact O-N 3.21Å; V195-F197 VanDerWaalsContact C-N 3.31Å; V195-F197 PolarHBondContact O-N 3.43Å; V195-Q199 VanDerWaalsContact O-CA 3.29Å; V195-Q199 WeakPolarHBondContact O-CA 3.43Å; V195-Q199 PolarHBondContact O-N 3.25Å; V195-N200 PolarHBondContact O-N 2.9Å; V195-F201 HydrophobicContact CG1-CD2 3.99Å; V195-F201 HydrophobicContact CG1-CE2 3.67Å; V195-F201 HydrophobicContact CG1-CZ 4Å; V195-I204 HydrophobicContact CG2-CD1 4.07Å; V195-I204 HydrophobicContact CG2-CG1 3.58Å; V195-W229 HydrophobicContact CB-CZ2 4.4Å; V195-W229 HydrophobicContact CG1-CH2 4.17Å; V195-W229 HydrophobicContact CG1-CZ2 3.64Å; V195-L245 HydrophobicContact CG1-CD2 3.87Å
196P91Very high93.1Very high0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-69.4-29.3178.327.2-35000112.7L191 R192 K193 Q199 I234 I236L191-P196 WeakPolarHBondContact O-CD 3.48Å; R192-P196 VanDerWaalsContact O-CG 3.24Å; R192-P196 WeakPolarHBondContact O-CG 3.2Å; K193-P196 WeakPolarHBondContact O-CD 3.22Å; K193-P196 WeakPolarHBondContact O-CG 3.42Å; P196-Q199 WeakPolarHBondContact O-CG 3.27Å; P196-I234 HydrophobicContact CB-CG2 3.72Å; P196-I234 HydrophobicContact CG-CG2 4.28Å; P196-I234 VanDerWaalsContact O-CG2 3.31Å; P196-I234 WeakPolarHBondContact O-CG2 3.38Å; P196-I236 HydrophobicContact CB-CD1 3.99Å
197F91.7Very high93Very high92 Ų9228.8 Ų28.840%0.40414%0.142SC..Hα-helixtrans-67.5-49.5175.2179-102.9000112.1P152 K193 V194 V195 Q199 I234P152-F197 HydrophobicContact CB-CB 3.99Å; P152-F197 HydrophobicContact CB-CD1 4.12Å; P152-F197 HydrophobicContact CB-CG 3.97Å; P152-F197 HydrophobicContact CG-CB 3.77Å; P152-F197 HydrophobicContact CG-CD1 4.43Å; P152-F197 HydrophobicContact CG-CD2 4Å; P152-F197 HydrophobicContact CG-CG 3.82Å; K193-F197 WeakPolarHBondContact O-CB 3.47Å; K193-F197 PolarHBondContact O-N 3.48Å; V194-F197 PolarHBondContact O-N 2.83Å; V194-F197 VanDerWaalsContact O-N 3.16Å; V195-F197 VanDerWaalsContact C-N 3.31Å; V195-F197 PolarHBondContact O-N 3.43Å; F197-Q199 VanDerWaalsContact C-N 3.29Å; F197-Q199 PolarHBondContact O-N 2.95Å; F197-I234 HydrophobicContact CB-CG2 4.48Å
198N91.2Very high92.8Very high49 Ų4929.4 Ų29.426%0.26215%0.145SC..Hα-helixtrans-77.5-15.3178-70.6-9.4000113.4E158 V194 N200E158-N198 PolarHBondContact OE1-ND2 3.43Å; V194-N198 WeakPolarHBondContact CG1-ND2 3.4Å; V194-N198 WeakPolarHBondContact O-CB 3.4Å; V194-N198 PolarHBondContact O-N 3.18Å; N198-N200 PolarHBondContact O-N 3.19Å; N198-N200 PolarHBondContact O-ND2 3.29Å
199Q91.4Very high92.7Very high74 Ų7437.4 Ų37.435%0.34618%0.177SC..THydrogen-bonded Turntrans58.927.1-177.4-59.7177.933.400113.7V195 P196 F197 I241V195-Q199 VanDerWaalsContact O-CA 3.29Å; V195-Q199 WeakPolarHBondContact O-CA 3.43Å; V195-Q199 PolarHBondContact O-N 3.25Å; P196-Q199 WeakPolarHBondContact O-CG 3.27Å; F197-Q199 VanDerWaalsContact C-N 3.29Å; F197-Q199 PolarHBondContact O-N 2.95Å; Q199-I241 HydrophobicContact CB-CG2 3.78Å; Q199-I241 HydrophobicContact CG-CG2 4.39Å
200N91.2Very high92.6Very high65 Ų6541.6 Ų41.635%0.34820%0.199SC..SBendtrans-156.4171.7178.670.772.9000112V195 N198 G202V195-N200 PolarHBondContact O-N 2.9Å; N198-N200 PolarHBondContact O-N 3.19Å; N198-N200 PolarHBondContact O-ND2 3.29Å; N200-G202 WeakPolarHBondContact OD1-CA 3.41Å; N200-G202 PolarHBondContact OD1-N 3.4Å
201F91.5Very high92.4Very high1 Ų144 Ų440%0.00422%0.224CC..SBendtrans-99.38.5-178.8-89.6-102.1000114.5L191 V195 C203 I204 Y205 W229 L245 N248 L249 T259L191-F201 HydrophobicContact CD2-CE1 4.01Å; V195-F201 HydrophobicContact CG1-CD2 3.99Å; V195-F201 HydrophobicContact CG1-CE2 3.67Å; V195-F201 HydrophobicContact CG1-CZ 4Å; F201-C203 VanDerWaalsContact C-N 3.25Å; F201-C203 PolarHBondContact O-N 3.32Å; F201-I204 HydrophobicContact CD1-CB 3.85Å; F201-I204 HydrophobicContact CD1-CG1 3.77Å; F201-I204 HydrophobicContact CD1-CG2 4.13Å; F201-I204 HydrophobicContact CE1-CG1 4.13Å; F201-I204 WeakPolarHBondContact O-CB 3.48Å; F201-I204 PolarHBondContact O-N 3.26Å; F201-Y205 HydrophobicContact CB-CD2 4.17Å; F201-Y205 HydrophobicContact CB-CE1 4.34Å; F201-Y205 HydrophobicContact CB-CE2 3.56Å; F201-Y205 VanDerWaalsContact O-CD2 3.23Å; F201-Y205 WeakPolarHBondContact O-CD2 3.49Å; F201-Y205 PolarHBondContact O-N 3.04Å; F201-W229 AromaticContact CE2-CH2 3.82Å; F201-W229 HydrophobicContact CE2-CH2 3.82Å; F201-W229 HydrophobicContact CE2-CZ2 4.36Å; F201-W229 AromaticContact CZ-CH2 3.72Å; F201-W229 HydrophobicContact CZ-CH2 3.72Å; F201-W229 HydrophobicContact CZ-CZ2 4.05Å; F201-L245 HydrophobicContact CD2-CD2 3.79Å; F201-L245 HydrophobicContact CE2-CB 4.41Å; F201-L245 HydrophobicContact CE2-CD2 3.74Å; F201-N248 HydrophobicContact CB-CB 4.2Å; F201-N248 HydrophobicContact CD1-CB 4.4Å; F201-N248 HydrophobicContact CD2-CB 3.31Å; F201-N248 HydrophobicContact CE2-CB 3.69Å; F201-N248 HydrophobicContact CG-CB 3.7Å; F201-N248 HydrophobicContact CZ-CB 4.41Å; F201-L249 HydrophobicContact CE1-CD2 4.03Å; F201-L249 HydrophobicContact CE1-CG 4.48Å; F201-L249 HydrophobicContact CE2-CG 4.39Å; F201-L249 HydrophobicContact CZ-CD2 3.59Å; F201-L249 HydrophobicContact CZ-CG 3.68Å; F201-T259 HydrophobicContact CD1-CG2 4.44Å; F201-T259 HydrophobicContact CE1-CG2 3.77Å
202G91.7Very high92.4Very high34 Ų3444.3 Ų44.335%0.35123%0.225SC..Hα-helixtrans-52.3-42.8-176.600000113.3N200 I204 Y205 Q206N200-G202 WeakPolarHBondContact OD1-CA 3.41Å; N200-G202 PolarHBondContact OD1-N 3.4Å; G202-I204 PolarHBondContact O-N 2.98Å; G202-Y205 PolarHBondContact O-N 3.08Å; G202-Q206 PolarHBondContact O-N 3.34Å
203C92.9Very high92.4Very high3 Ų341.7 Ų41.72%0.0222%0.216CC..Hα-helixtrans-66.8-35177.861.70000113.3E158 F190 V194 F201 Q206 L207E158-C203 WeakPolarHBondContact OE2-CB 3.41Å; F190-C203 HydrophobicContact CD1-CB 3.64Å; F190-C203 HydrophobicContact CE1-CB 3.8Å; V194-C203 HydrophobicContact CG1-CB 4.16Å; F201-C203 VanDerWaalsContact C-N 3.25Å; F201-C203 PolarHBondContact O-N 3.32Å; C203-Q206 PolarHBondContact O-N 2.67Å; C203-L207 WeakPolarHBondContact O-CG 3.43Å; C203-L207 PolarHBondContact O-N 3.29Å
204I93.3Very high92.4Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-68.7-44.5174.4-60.3-60.7000110.4F190 L191 V195 F201 G202 Q206 L207 Q208 Y213F190-I204 HydrophobicContact CB-CD1 3.72Å; L191-I204 HydrophobicContact CD2-CD1 3.68Å; L191-I204 HydrophobicContact CD2-CG1 3.99Å; L191-I204 HydrophobicContact CG-CD1 3.81Å; V195-I204 HydrophobicContact CG2-CD1 4.07Å; V195-I204 HydrophobicContact CG2-CG1 3.58Å; F201-I204 HydrophobicContact CD1-CB 3.85Å; F201-I204 HydrophobicContact CD1-CG1 3.77Å; F201-I204 HydrophobicContact CD1-CG2 4.13Å; F201-I204 HydrophobicContact CE1-CG1 4.13Å; F201-I204 WeakPolarHBondContact O-CB 3.48Å; F201-I204 PolarHBondContact O-N 3.26Å; G202-I204 PolarHBondContact O-N 2.98Å; I204-Q206 PolarHBondContact O-N 3.35Å; I204-L207 HydrophobicContact CD1-CD1 4.48Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-L207 VanDerWaalsContact O-N 3.17Å; I204-Q208 HydrophobicContact CG2-CG 4.38Å; I204-Q208 WeakPolarHBondContact O-CB 3.12Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 2.86Å; I204-Y213 HydrophobicContact CD1-CD2 4.47Å; I204-Y213 HydrophobicContact CD1-CE2 4.08Å; I204-Y213 HydrophobicContact CG2-CD2 4.12Å; I204-Y213 HydrophobicContact CG2-CE2 3.87Å
205Y91.6Very high92.3Very high80 Ų8043.6 Ų43.631%0.31423%0.229SC..Hα-helixtrans-60.9-36.1175.9-59-43.6000111.8F201 G202 Q208 K209F201-Y205 HydrophobicContact CB-CD2 4.17Å; F201-Y205 HydrophobicContact CB-CE1 4.34Å; F201-Y205 HydrophobicContact CB-CE2 3.56Å; F201-Y205 VanDerWaalsContact O-CD2 3.23Å; F201-Y205 WeakPolarHBondContact O-CD2 3.49Å; F201-Y205 PolarHBondContact O-N 3.04Å; G202-Y205 PolarHBondContact O-N 3.08Å; Y205-Q208 PolarHBondContact O-N 3.36Å; Y205-K209 WeakPolarHBondContact O-CB 3.41Å; Y205-K209 PolarHBondContact O-N 3.47Å
206Q92.9Very high92.2Very high89 Ų8943.6 Ų43.642%0.41623%0.229SC..Hα-helixtrans-63.6-47.4173.2-174.9173.2-8.600112.1I162 G202 C203 I204 Q208 K209 L210I162-Q206 HydrophobicContact CD1-CG 3.99Å; I162-Q206 VanDerWaalsContact CD1-NE2 3.3Å; G202-Q206 PolarHBondContact O-N 3.34Å; C203-Q206 PolarHBondContact O-N 2.67Å; I204-Q206 PolarHBondContact O-N 3.35Å; Q206-Q208 VanDerWaalsContact C-N 3.31Å; Q206-Q208 PolarHBondContact O-N 3.01Å; Q206-K209 PolarHBondContact O-N 3.11Å; Q206-L210 HydrophobicContact CG-CD1 4.26Å; Q206-L210 WeakPolarHBondContact O-CG 3.36Å; Q206-L210 PolarHBondContact O-N 3.06Å
207L94.2Very high92Very high1 Ų147.6 Ų47.61%0.00526%0.257CS..Hα-helixtrans-59.7-41.9174.7-70.4175000112.1I162 F190 C203 I204 L210 G211 L212 Y213I162-L207 HydrophobicContact CG1-CD2 3.8Å; F190-L207 HydrophobicContact CB-CD1 4.01Å; F190-L207 HydrophobicContact CD1-CD1 3.97Å; F190-L207 HydrophobicContact CD2-CD1 3.78Å; F190-L207 HydrophobicContact CE1-CD1 4.36Å; F190-L207 HydrophobicContact CE2-CD1 4.17Å; F190-L207 HydrophobicContact CE2-CD2 4.48Å; F190-L207 HydrophobicContact CG-CD1 3.65Å; F190-L207 HydrophobicContact CZ-CD1 4.45Å; C203-L207 WeakPolarHBondContact O-CG 3.43Å; C203-L207 PolarHBondContact O-N 3.29Å; I204-L207 HydrophobicContact CD1-CD1 4.48Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-L207 VanDerWaalsContact O-N 3.17Å; L207-L210 CarbonylContact O-C 3.54Å; L207-L210 PolarHBondContact O-N 3.43Å; L207-G211 PolarHBondContact O-N 3.12Å; L207-L212 HydrophobicContact CD2-CB 3.98Å; L207-L212 HydrophobicContact CD2-CD1 4.3Å; L207-L212 PolarHBondContact O-N 2.97Å; L207-Y213 HydrophobicContact CD1-CD2 4.49Å; L207-Y213 PolarHBondContact O-N 2.96Å
208Q92.4Very high91.8Very high12 Ų1244.7 Ų44.76%0.05625%0.248CC..Hα-helixtrans-63.9-41.5177.7-74.6177.3-16.100112.4I204 Y205 Q206 L210 G211 Y213 K257I204-Q208 HydrophobicContact CG2-CG 4.38Å; I204-Q208 WeakPolarHBondContact O-CB 3.12Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 2.86Å; Y205-Q208 PolarHBondContact O-N 3.36Å; Q206-Q208 VanDerWaalsContact C-N 3.31Å; Q206-Q208 PolarHBondContact O-N 3.01Å; Q208-L210 VanDerWaalsContact C-N 3.31Å; Q208-G211 PolarHBondContact O-N 2.92Å; Q208-Y213 HydrophobicContact CG-CD1 3.73Å; Q208-Y213 HydrophobicContact CG-CG 3.79Å; Q208-K257 HydrophobicContact CB-CD 4.2Å; Q208-K257 HydrophobicContact CG-CB 4.39Å; Q208-K257 PolarHBondContact NE2-O 3.36Å; Q208-K257 PolarHBondContact O-NZ 3.12Å
209K91.7Very high91.7Very high187 Ų18742.3 Ų42.381%0.81324%0.235SC*.Hα-helixtrans-62.6-38.8175.8-175.6179.9178.8-177.90111.6Y205 Q206 G211Y205-K209 WeakPolarHBondContact O-CB 3.41Å; Y205-K209 PolarHBondContact O-N 3.47Å; Q206-K209 PolarHBondContact O-N 3.11Å; K209-G211 VanDerWaalsContact C-N 3.29Å
210L93.5Very high91.6Very high88 Ų8843.3 Ų43.346%0.46124%0.236SC..THydrogen-bonded Turntrans-81-5.6177.1-64.4173.8000113.7I162 Q206 L207 Q208 L212I162-L210 HydrophobicContact CG2-CD1 3.43Å; I162-L210 VanDerWaalsContact CG2-CD1 3.43Å; Q206-L210 HydrophobicContact CG-CD1 4.26Å; Q206-L210 WeakPolarHBondContact O-CG 3.36Å; Q206-L210 PolarHBondContact O-N 3.06Å; L207-L210 CarbonylContact O-C 3.54Å; L207-L210 PolarHBondContact O-N 3.43Å; Q208-L210 VanDerWaalsContact C-N 3.31Å; L210-L212 VanDerWaalsContact C-N 3.28Å; L210-L212 HydrophobicContact CB-CD1 3.99Å; L210-L212 HydrophobicContact CB-CG 3.93Å; L210-L212 HydrophobicContact CD1-CD1 4.25Å; L210-L212 PolarHBondContact O-N 3.47Å
211G91.8Very high91.6Very high50 Ų5042 Ų4252%0.51523%0.23SC..THydrogen-bonded Turntrans72.717.7-177.900000114.5L207 Q208 K209L207-G211 PolarHBondContact O-N 3.12Å; Q208-G211 PolarHBondContact O-N 2.92Å; K209-G211 VanDerWaalsContact C-N 3.29Å
212L93.9Very high91.6Very high7 Ų742 Ų424%0.03723%0.23CC..  trans-96-8.7-177.3-59.4178.2000113.4I162 V169 L183 L207 L210 T214I162-L212 HydrophobicContact CG2-CD1 4.11Å; V169-L212 HydrophobicContact CG2-CD2 4.09Å; L183-L212 HydrophobicContact CD2-CB 4.26Å; L183-L212 HydrophobicContact CD2-CD2 4.1Å; L207-L212 HydrophobicContact CD2-CB 3.98Å; L207-L212 HydrophobicContact CD2-CD1 4.3Å; L207-L212 PolarHBondContact O-N 2.97Å; L210-L212 VanDerWaalsContact C-N 3.28Å; L210-L212 HydrophobicContact CB-CD1 3.99Å; L210-L212 HydrophobicContact CB-CG 3.93Å; L210-L212 HydrophobicContact CD1-CD1 4.25Å; L210-L212 PolarHBondContact O-N 3.47Å; L212-T214 PolarHBondContact O-N 2.95Å
213Y93.8Very high91.7Very high28 Ų2840.8 Ų40.811%0.1122%0.216CC..  trans-79.5115.3-175.9-176.9-110.2000112.1L191 I204 L207 Q208 P215 T259L191-Y213 HydrophobicContact CD1-CE2 4.19Å; L191-Y213 HydrophobicContact CG-CE2 4.39Å; I204-Y213 HydrophobicContact CD1-CD2 4.47Å; I204-Y213 HydrophobicContact CD1-CE2 4.08Å; I204-Y213 HydrophobicContact CG2-CD2 4.12Å; I204-Y213 HydrophobicContact CG2-CE2 3.87Å; L207-Y213 HydrophobicContact CD1-CD2 4.49Å; L207-Y213 PolarHBondContact O-N 2.96Å; Q208-Y213 HydrophobicContact CG-CD1 3.73Å; Q208-Y213 HydrophobicContact CG-CG 3.79Å; Y213-P215 HydrophobicContact CE1-CB 3.72Å; Y213-P215 HydrophobicContact CE1-CG 4.04Å; Y213-T259 WeakPolarHBondContact OH-CG2 3.46Å; Y213-T259 PolarHBondContact OH-O 2.91Å
214T92.7Very high91.6Very high31 Ų3145.6 Ų45.619%0.1924%0.238CC..  trans-116.7101.1172.6-57.70000109.1M184 S187 L212M184-T214 HydrophobicContact CB-CG2 3.97Å; M184-T214 HydrophobicContact CE-CG2 4.44Å; M184-T214 HydrophobicContact CG-CG2 4.39Å; S187-T214 WeakPolarHBondContact CB-O 3.44Å; S187-T214 PolarHBondContact OG-N 3.4Å; S187-T214 PolarHBondContact OG-O 3.34Å; L212-T214 PolarHBondContact O-N 2.95Å
215P90.6Very high91.5Very high24 Ų2445.8 Ų45.816%0.15624%0.239CC..  trans-67.9153.4-177.126-32.8000112.1Y213 W222 T259 S261Y213-P215 HydrophobicContact CE1-CB 3.72Å; Y213-P215 HydrophobicContact CE1-CG 4.04Å; P215-W222 HydrophobicContact CB-CZ2 4.19Å; P215-T259 WeakPolarHBondContact CB-O 2.82Å; P215-S261 WeakPolarHBondContact CG-OG 3.43Å
216P90.9Very high91.6Very high1 Ų142 Ų421%0.00622%0.224CC..  trans-56.4139.5169.4-21.630.6000112.3L191 T221 W222 V225L191-P216 HydrophobicContact CD1-CG 4.18Å; P216-T221 HydrophobicContact CB-CG2 3.75Å; P216-T221 HydrophobicContact CG-CG2 4.4Å; P216-W222 HydrophobicContact CB-CD2 4.13Å; P216-W222 HydrophobicContact CB-CG 4.09Å; P216-W222 HydrophobicContact CB-CZ2 4.46Å; P216-W222 HydrophobicContact CG-CD2 4.12Å; P216-W222 HydrophobicContact CG-CE3 4.45Å; P216-W222 HydrophobicContact CG-CZ2 4.19Å; P216-W222 PolarHBondContact O-NE1 3.27Å; P216-V225 HydrophobicContact CG-CG2 4.01Å
217S87Confident91.4Very high84 Ų8439.6 Ų39.659%0.58722%0.217SC*.  trans-98.2-9.8-174.657.90000114.7
218S88.3Confident90.9Very high30 Ų3042.1 Ų42.121%0.2123%0.229CC..SBendtrans-128.5147.9-175.289.50000112.5R220 T221 W222S218-R220 PolarHBondContact O-N 3.47Å; S218-R220 PolarHBondContact OG-N 3.29Å; S218-T221 PolarHBondContact O-N 3.09Å; S218-T221 VanDerWaalsContact O-N 3.1Å; S218-T221 PolarHBondContact OG-N 3.45Å; S218-T221 PolarHBondContact OG-OG1 3.1Å; S218-W222 PolarHBondContact O-N 3.07Å
219A89.3Confident90.7Very high0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-54.6-36.7174.100000112.4W222 L223 L265 L268 F272 F322A219-W222 PolarHBondContact O-N 3.35Å; A219-L223 WeakPolarHBondContact O-CB 3.49Å; A219-L223 PolarHBondContact O-N 2.9Å; A219-L265 HydrophobicContact CB-CD1 3.69Å; A219-L268 HydrophobicContact CB-CD2 3.69Å; A219-F272 HydrophobicContact CB-CE2 4.22Å; A219-F272 WeakPolarHBondContact O-CE2 3.42Å; A219-F322 HydrophobicContact CB-CE1 4.48Å; A219-F322 HydrophobicContact CB-CZ 3.91Å
220R89Confident89.9Confident94 Ų9432.7 Ų32.736%0.35519%0.188SC..Hα-helixtrans-65.6-44.8177.8-172.2179.8-174.4-162.3-3.5111.5S218 L223 Q224 F322S218-R220 PolarHBondContact O-N 3.47Å; S218-R220 PolarHBondContact OG-N 3.29Å; R220-L223 PolarHBondContact O-N 3.46Å; R220-Q224 WeakPolarHBondContact O-CG 3.43Å; R220-Q224 PolarHBondContact O-N 3.36Å; R220-F322 HydrophobicContact CB-CE2 4.24Å
221T90Very high88.9Confident37 Ų3732.7 Ų32.723%0.22719%0.185CC..Hα-helixtrans-66.5-40178.5-450000110.9P216 S218 Q224 V225P216-T221 HydrophobicContact CB-CG2 3.75Å; P216-T221 HydrophobicContact CG-CG2 4.4Å; S218-T221 PolarHBondContact O-N 3.09Å; S218-T221 VanDerWaalsContact O-N 3.1Å; S218-T221 PolarHBondContact OG-N 3.45Å; S218-T221 PolarHBondContact OG-OG1 3.1Å; T221-Q224 WeakPolarHBondContact O-CB 3.42Å; T221-Q224 PolarHBondContact O-N 3.2Å; T221-V225 WeakPolarHBondContact O-CG2 3.21Å; T221-V225 PolarHBondContact O-N 3.5Å
222W93Very high87.2Confident1 Ų132.6 Ų32.60%0.00418%0.175CC..Hα-helixtrans-61.5-45.3173.3-85.4101.8000112.8L191 P215 P216 S218 A219 Q224 V225 L226 L249 T259 V260 L265 V269L191-W222 HydrophobicContact CD1-CH2 3.98Å; L191-W222 HydrophobicContact CD1-CZ3 4.02Å; P215-W222 HydrophobicContact CB-CZ2 4.19Å; P216-W222 HydrophobicContact CB-CD2 4.13Å; P216-W222 HydrophobicContact CB-CG 4.09Å; P216-W222 HydrophobicContact CB-CZ2 4.46Å; P216-W222 HydrophobicContact CG-CD2 4.12Å; P216-W222 HydrophobicContact CG-CE3 4.45Å; P216-W222 HydrophobicContact CG-CZ2 4.19Å; P216-W222 PolarHBondContact O-NE1 3.27Å; S218-W222 PolarHBondContact O-N 3.07Å; A219-W222 PolarHBondContact O-N 3.35Å; W222-Q224 VanDerWaalsContact C-N 3.28Å; W222-Q224 PolarHBondContact O-N 3.38Å; W222-V225 PolarHBondContact O-N 3.27Å; W222-L226 WeakPolarHBondContact O-CB 3.49Å; W222-L226 WeakPolarHBondContact O-CG 3.5Å; W222-L226 PolarHBondContact O-N 3.38Å; W222-L249 HydrophobicContact CZ3-CD2 4.03Å; W222-T259 HydrophobicContact CH2-CG2 4.35Å; W222-V260 HydrophobicContact CH2-CG2 3.85Å; W222-V260 HydrophobicContact CZ2-CB 4.25Å; W222-V260 HydrophobicContact CZ2-CG1 4.22Å; W222-V260 HydrophobicContact CZ2-CG2 3.79Å; W222-V260 HydrophobicContact CZ3-CG2 4.45Å; W222-L265 VanDerWaalsContact CD1-CD2 3.4Å; W222-V269 HydrophobicContact CB-CG2 3.84Å; W222-V269 HydrophobicContact CD2-CG1 3.87Å; W222-V269 HydrophobicContact CD2-CG2 3.73Å; W222-V269 HydrophobicContact CE3-CG1 3.63Å; W222-V269 HydrophobicContact CE3-CG2 4.35Å; W222-V269 HydrophobicContact CG-CG1 4.35Å; W222-V269 HydrophobicContact CG-CG2 3.48Å; W222-V269 VanDerWaalsContact CG-CG2 3.48Å; W222-V269 HydrophobicContact CZ3-CG1 4.09Å
223L92.6Very high85.8Confident9 Ų941.4 Ų41.45%0.04721%0.213CC..Hα-helixtrans-60.3-39.8175.9-174.864.8000111.6A219 R220 L226 S227 F272 N326 I327 F330A219-L223 WeakPolarHBondContact O-CB 3.49Å; A219-L223 PolarHBondContact O-N 2.9Å; R220-L223 PolarHBondContact O-N 3.46Å; L223-L226 PolarHBondContact O-N 2.73Å; L223-S227 WeakPolarHBondContact O-CB 3.23Å; L223-S227 PolarHBondContact O-N 3.3Å; L223-F272 HydrophobicContact CB-CD2 3.87Å; L223-F272 HydrophobicContact CB-CE2 3.87Å; L223-F272 HydrophobicContact CB-CG 4.44Å; L223-F272 HydrophobicContact CB-CZ 4.43Å; L223-F272 HydrophobicContact CD1-CB 4.02Å; L223-F272 HydrophobicContact CD1-CD1 3.78Å; L223-F272 HydrophobicContact CD1-CD2 3.97Å; L223-F272 HydrophobicContact CD1-CE1 4.19Å; L223-F272 HydrophobicContact CD1-CE2 4.36Å; L223-F272 HydrophobicContact CD1-CG 3.66Å; L223-F272 HydrophobicContact CD1-CZ 4.45Å; L223-F272 HydrophobicContact CG-CD2 4.49Å; L223-N326 HydrophobicContact CD2-CB 3.66Å; L223-I327 HydrophobicContact CD2-CG1 4.39Å; L223-F330 HydrophobicContact CD1-CB 4.32Å; L223-F330 HydrophobicContact CD1-CD1 3.61Å; L223-F330 HydrophobicContact CD1-CD2 4.46Å; L223-F330 HydrophobicContact CD1-CE1 3.94Å; L223-F330 HydrophobicContact CD1-CG 3.86Å
224Q90.6Very high84.4Confident104 Ų10441.4 Ų41.449%0.48622%0.215SC..Hα-helixtrans-64.9-41.1174.6-73.6175.9-11.800112.7R220 T221 W222 S227R220-Q224 WeakPolarHBondContact O-CG 3.43Å; R220-Q224 PolarHBondContact O-N 3.36Å; T221-Q224 WeakPolarHBondContact O-CB 3.42Å; T221-Q224 PolarHBondContact O-N 3.2Å; W222-Q224 VanDerWaalsContact C-N 3.28Å; W222-Q224 PolarHBondContact O-N 3.38Å; Q224-S227 WeakPolarHBondContact O-CB 3.45Å; Q224-S227 PolarHBondContact O-N 2.76Å; Q224-S227 PolarHBondContact O-OG 3.27Å
225V92.2Very high83.2Confident4 Ų441.8 Ų41.82%0.02422%0.218CC..Hα-helixtrans-64.4-46.1176.3165.40000110.9L191 R192 P216 T221 W222 S227L191-V225 HydrophobicContact CB-CG1 3.3Å; L191-V225 HydrophobicContact CD1-CG1 4.1Å; L191-V225 HydrophobicContact CG-CG1 4.34Å; R192-V225 WeakPolarHBondContact CA-O 3.47Å; R192-V225 HydrophobicContact CB-CG1 4.24Å; R192-V225 WeakPolarHBondContact CG-O 3.47Å; P216-V225 HydrophobicContact CG-CG2 4.01Å; T221-V225 WeakPolarHBondContact O-CG2 3.21Å; T221-V225 PolarHBondContact O-N 3.5Å; W222-V225 PolarHBondContact O-N 3.27Å; V225-S227 PolarHBondContact O-N 3.04Å
226L93Very high82.7Confident0 Ų040.7 Ų40.70%021%0.211CC..Hα-helixtrans-74.5-13179.4-64.9172.7000112.9W222 L223 Q228 W229 L249 V269 F272 A273 A276W222-L226 WeakPolarHBondContact O-CB 3.49Å; W222-L226 WeakPolarHBondContact O-CG 3.5Å; W222-L226 PolarHBondContact O-N 3.38Å; L223-L226 PolarHBondContact O-N 2.73Å; L226-Q228 PolarHBondContact O-N 3.33Å; L226-Q228 VanDerWaalsContact O-N 3.08Å; L226-W229 HydrophobicContact CD2-CD2 3.63Å; L226-W229 HydrophobicContact CD2-CE3 3.82Å; L226-W229 HydrophobicContact CD2-CG 4.22Å; L226-W229 HydrophobicContact CD2-CH2 4.13Å; L226-W229 HydrophobicContact CD2-CZ2 3.9Å; L226-W229 HydrophobicContact CD2-CZ3 4.08Å; L226-W229 WeakPolarHBondContact O-CB 3.38Å; L226-W229 PolarHBondContact O-N 2.74Å; L226-L249 HydrophobicContact CD2-CD1 3.99Å; L226-V269 HydrophobicContact CD1-CG1 4.07Å; L226-V269 WeakPolarHBondContact CD1-O 3.01Å; L226-F272 HydrophobicContact CD1-CB 3.67Å; L226-A273 HydrophobicContact CD1-CB 4.23Å; L226-A276 HydrophobicContact CB-CB 4.37Å; L226-A276 WeakPolarHBondContact O-CB 3.46Å
227S88.3Confident82Confident39 Ų3948.2 Ų48.227%0.27325%0.246SC..THydrogen-bonded Turntrans-60.2-25.8-175.2700000114.5L223 Q224 V225 F231L223-S227 WeakPolarHBondContact O-CB 3.23Å; L223-S227 PolarHBondContact O-N 3.3Å; Q224-S227 WeakPolarHBondContact O-CB 3.45Å; Q224-S227 PolarHBondContact O-N 2.76Å; Q224-S227 PolarHBondContact O-OG 3.27Å; V225-S227 PolarHBondContact O-N 3.04Å; S227-F231 VanDerWaalsContact O-CD2 3.26Å; S227-F231 WeakPolarHBondContact O-CD2 3.25Å; S227-F231 WeakPolarHBondContact O-CE2 3.43Å
228Q84.5Confident82Confident55 Ų5551.8 Ų51.826%0.25725%0.247SC..THydrogen-bonded Turntrans-89-9178.5-65.6-164.7-8.900113.7R192 K193 L226 G230 F231R192-Q228 HydrophobicContact CG-CB 3.95Å; R192-Q228 HydrophobicContact CG-CG 3.74Å; R192-Q228 WeakPolarHBondContact O-CB 3.4Å; K193-Q228 VanDerWaalsContact CG-OE1 3.23Å; L226-Q228 PolarHBondContact O-N 3.33Å; L226-Q228 VanDerWaalsContact O-N 3.08Å; Q228-G230 PolarHBondContact O-N 3.1Å; Q228-F231 PolarHBondContact O-N 3.11Å
229W88.9Confident82.1Confident0 Ų053.2 Ų53.20%026%0.255CS..THydrogen-bonded Turntrans-68132.7176.5-71.627.2000109.2L191 V195 F201 L226 F231 L245 L249 A276 L277 R334L191-W229 PolarHBondContact O-NE1 3.18Å; V195-W229 HydrophobicContact CB-CZ2 4.4Å; V195-W229 HydrophobicContact CG1-CH2 4.17Å; V195-W229 HydrophobicContact CG1-CZ2 3.64Å; F201-W229 AromaticContact CE2-CH2 3.82Å; F201-W229 HydrophobicContact CE2-CH2 3.82Å; F201-W229 HydrophobicContact CE2-CZ2 4.36Å; F201-W229 AromaticContact CZ-CH2 3.72Å; F201-W229 HydrophobicContact CZ-CH2 3.72Å; F201-W229 HydrophobicContact CZ-CZ2 4.05Å; L226-W229 HydrophobicContact CD2-CD2 3.63Å; L226-W229 HydrophobicContact CD2-CE3 3.82Å; L226-W229 HydrophobicContact CD2-CG 4.22Å; L226-W229 HydrophobicContact CD2-CH2 4.13Å; L226-W229 HydrophobicContact CD2-CZ2 3.9Å; L226-W229 HydrophobicContact CD2-CZ3 4.08Å; L226-W229 WeakPolarHBondContact O-CB 3.38Å; L226-W229 PolarHBondContact O-N 2.74Å; W229-F231 PolarHBondContact O-N 2.75Å; W229-L245 HydrophobicContact CH2-CB 4.14Å; W229-L245 HydrophobicContact CZ3-CB 3.85Å; W229-L249 HydrophobicContact CH2-CD1 3.48Å; W229-L249 VanDerWaalsContact CH2-CD1 3.48Å; W229-L249 HydrophobicContact CH2-CD2 4.19Å; W229-L249 HydrophobicContact CH2-CG 3.77Å; W229-L249 HydrophobicContact CZ2-CD1 4.39Å; W229-L249 HydrophobicContact CZ3-CD1 3.54Å; W229-L249 HydrophobicContact CZ3-CG 4.27Å; W229-A276 CarbonylContact C-O 3.6Å; W229-A276 HydrophobicContact CB-CB 3.83Å; W229-L277 HydrophobicContact CB-CD2 3.97Å; W229-L277 HydrophobicContact CB-CG 4.38Å; W229-L277 HydrophobicContact CE3-CD1 3.54Å; W229-L277 HydrophobicContact CE3-CD2 4.01Å; W229-L277 HydrophobicContact CE3-CG 3.81Å; W229-L277 HydrophobicContact CZ3-CD1 3.77Å; W229-R334 PolarHBondContact O-NH1 2.9Å
230G73.5Confident82.2Confident1 Ų157.8 Ų57.81%0.0128%0.28CS..THydrogen-bonded Turntrans65.918.3-177.700000114.7Q228 R334 Y338Q228-G230 PolarHBondContact O-N 3.1Å; G230-R334 PolarHBondContact O-NH2 3.21Å; G230-Y338 PolarHBondContact O-OH 3.31Å
231F73.3Confident82.3Confident87 Ų8754.3 Ų54.338%0.38227%0.268SS..  trans-72.4145.8166.9-114.7-96.4000109.5S227 Q228 W229 K233 I234 C235 L337S227-F231 VanDerWaalsContact O-CD2 3.26Å; S227-F231 WeakPolarHBondContact O-CD2 3.25Å; S227-F231 WeakPolarHBondContact O-CE2 3.43Å; Q228-F231 PolarHBondContact O-N 3.11Å; W229-F231 PolarHBondContact O-N 2.75Å; F231-K233 PolarHBondContact O-N 2.92Å; F231-I234 CarbonylContact O-C 3.46Å; F231-I234 WeakPolarHBondContact O-CA 2.9Å; F231-I234 PolarHBondContact O-N 3.44Å; F231-C235 WeakPolarHBondContact O-CA 3.25Å; F231-C235 PolarHBondContact O-N 3.39Å; F231-L337 HydrophobicContact CD1-CD2 3.74Å; F231-L337 HydrophobicContact CE1-CD2 3.47Å; F231-L337 VanDerWaalsContact CE1-CD2 3.47Å; F231-L337 HydrophobicContact CG-CD2 4.36Å; F231-L337 HydrophobicContact CZ-CD2 3.91Å
232P56.6Low82.4Confident49 Ų4952.9 Ų52.932%0.31826%0.259SS..G310 helixtrans-54.9-31.4-175.8-24.930.5000115.3I234 L337 L341P232-I234 PolarHBondContact O-N 3.36Å; P232-L337 VanDerWaalsContact CD-CD2 3.43Å; P232-L337 HydrophobicContact CG-CD1 4.27Å; P232-L337 HydrophobicContact CG-CD2 3.79Å; P232-L337 HydrophobicContact CG-CG 4Å; P232-L341 HydrophobicContact CB-CD1 3.71Å; P232-L341 HydrophobicContact CG-CD1 3.15Å
233K64.3Low82.3Confident192 Ų19255.6 Ų55.684%0.83527%0.27SS*.G310 helixtrans-65-26.1175.4-70.5-172176-173.50112.9F231F231-K233 PolarHBondContact O-N 2.92Å
234I64.1Low82.2Confident27 Ų2759.9 Ų59.914%0.13829%0.29CS..G310 helixtrans-134.251.4179.1-43.9175.4000107P196 F197 F231 P232 I236P196-I234 HydrophobicContact CB-CG2 3.72Å; P196-I234 HydrophobicContact CG-CG2 4.28Å; P196-I234 VanDerWaalsContact O-CG2 3.31Å; P196-I234 WeakPolarHBondContact O-CG2 3.38Å; F197-I234 HydrophobicContact CB-CG2 4.48Å; F231-I234 CarbonylContact O-C 3.46Å; F231-I234 WeakPolarHBondContact O-CA 2.9Å; F231-I234 PolarHBondContact O-N 3.44Å; P232-I234 PolarHBondContact O-N 3.36Å; I234-I236 PolarHBondContact O-N 3.22Å
235C67.9Low82.3Confident40 Ų4054.9 Ų54.927%0.2727%0.267SS..  trans-72120.3-174.8-166.20000109.2F231 E237F231-C235 WeakPolarHBondContact O-CA 3.25Å; F231-C235 PolarHBondContact O-N 3.39Å; C235-E237 HydrophobicContact CB-CG 4.38Å; C235-E237 PolarHBondContact O-N 2.82Å
236I79.3Confident82.2Confident1 Ų154.8 Ų54.81%0.00527%0.266CS..  trans-93.984.3174.2-50.3-175.7000106.5P196 I234 R238 I241 Q242 L245 L277P196-I236 HydrophobicContact CB-CD1 3.99Å; I234-I236 PolarHBondContact O-N 3.22Å; I236-R238 VanDerWaalsContact C-N 3.3Å; I236-R238 PolarHBondContact O-N 3.26Å; I236-I241 HydrophobicContact CG2-CB 4Å; I236-I241 HydrophobicContact CG2-CG2 3.55Å; I236-Q242 HydrophobicContact CB-CG 4.33Å; I236-Q242 HydrophobicContact CG2-CG 3.98Å; I236-Q242 WeakPolarHBondContact O-CG 3.45Å; I236-Q242 PolarHBondContact O-NE2 3.05Å; I236-L245 HydrophobicContact CD1-CD1 3.29Å; I236-L277 HydrophobicContact CD1-CD2 3.93Å
237E76.7Confident82Confident158 Ų15856.9 Ų56.974%0.73827%0.274SS*.  trans-67.4-32-172.3-65-176.5168.700113.1C235 P239C235-E237 HydrophobicContact CB-CG 4.38Å; C235-E237 PolarHBondContact O-N 2.82Å; E237-P239 WeakPolarHBondContact O-CD 3.2Å
238R86.9Confident82.1Confident160 Ų16056.5 Ų56.560%0.60427%0.269SS*.  trans-76116.4-172-79.7-168.8-173.2-178.74.4112.5I236 D240 I241 Q242I236-R238 VanDerWaalsContact C-N 3.3Å; I236-R238 PolarHBondContact O-N 3.26Å; R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 WeakPolarHBondContact CB-OD1 3.28Å; R238-D240 PolarHBondContact O-N 2.87Å; R238-I241 HydrophobicContact CB-CB 4.09Å; R238-I241 HydrophobicContact CB-CD1 3.9Å; R238-I241 HydrophobicContact CB-CG1 3.87Å; R238-I241 HydrophobicContact CG-CD1 4.4Å; R238-I241 PolarHBondContact O-N 3.06Å; R238-Q242 WeakPolarHBondContact O-CG 3.23Å; R238-Q242 PolarHBondContact O-N 3.45Å
239P89.8Confident82.3Confident60 Ų6053.9 Ų53.939%0.3926%0.257SS..Hα-helixtrans-61.5-33.4-179.5-24.635.3000114.1E237 Q242 K243 W287E237-P239 WeakPolarHBondContact O-CD 3.2Å; P239-Q242 PolarHBondContact O-N 3.09Å; P239-K243 WeakPolarHBondContact O-CG 3.37Å; P239-K243 PolarHBondContact O-N 3.4Å; P239-W287 HydrophobicContact CB-CH2 4.06Å; P239-W287 HydrophobicContact CB-CZ2 3.99Å; P239-W287 WeakPolarHBondContact O-CH2 3.49Å
240D91.1Very high82Confident96 Ų9654.6 Ų54.651%0.51326%0.262SS..Hα-helixtrans-61.1-45.7175.451.7-58.1000111.9R238 K243 Q244R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 WeakPolarHBondContact CB-OD1 3.28Å; R238-D240 PolarHBondContact O-N 2.87Å; D240-K243 PolarHBondContact O-N 3.38Å; D240-Q244 WeakPolarHBondContact O-CB 3.44Å; D240-Q244 PolarHBondContact O-N 3.03Å
241I91Very high82.2Confident20 Ų2055.4 Ų55.410%0.10327%0.267CS..Hα-helixtrans-67.3-43.8176.6-61.2-175.3000110.7Q199 I236 R238 K243 Q244 L245Q199-I241 HydrophobicContact CB-CG2 3.78Å; Q199-I241 HydrophobicContact CG-CG2 4.39Å; I236-I241 HydrophobicContact CG2-CB 4Å; I236-I241 HydrophobicContact CG2-CG2 3.55Å; R238-I241 HydrophobicContact CB-CB 4.09Å; R238-I241 HydrophobicContact CB-CD1 3.9Å; R238-I241 HydrophobicContact CB-CG1 3.87Å; R238-I241 HydrophobicContact CG-CD1 4.4Å; R238-I241 PolarHBondContact O-N 3.06Å; I241-K243 VanDerWaalsContact C-N 3.31Å; I241-K243 PolarHBondContact O-N 3.01Å; I241-Q244 WeakPolarHBondContact O-CB 3.38Å; I241-Q244 PolarHBondContact O-N 3.12Å; I241-Q244 VanDerWaalsContact O-N 3.16Å; I241-L245 HydrophobicContact CG2-CD1 4.31Å; I241-L245 HydrophobicContact CG2-CG 4.47Å; I241-L245 WeakPolarHBondContact O-CG 3.43Å; I241-L245 PolarHBondContact O-N 3.37Å
242Q92.2Very high81.7Confident7 Ų754.7 Ų54.73%0.03327%0.266CS..Hα-helixtrans-55.4-48174.9-68.5177.33.100111.1I236 R238 P239 L245 I246 L277 W287I236-Q242 HydrophobicContact CB-CG 4.33Å; I236-Q242 HydrophobicContact CG2-CG 3.98Å; I236-Q242 WeakPolarHBondContact O-CG 3.45Å; I236-Q242 PolarHBondContact O-NE2 3.05Å; R238-Q242 WeakPolarHBondContact O-CG 3.23Å; R238-Q242 PolarHBondContact O-N 3.45Å; P239-Q242 PolarHBondContact O-N 3.09Å; Q242-L245 PolarHBondContact O-N 3.42Å; Q242-I246 WeakPolarHBondContact O-CG1 3.47Å; Q242-I246 PolarHBondContact O-N 3Å; Q242-I246 VanDerWaalsContact O-N 3.15Å; Q242-L277 HydrophobicContact CB-CB 4.14Å; Q242-L277 HydrophobicContact CB-CD1 4.38Å; Q242-L277 VanDerWaalsContact CD-O 3.32Å; Q242-L277 HydrophobicContact CG-CB 4.14Å; Q242-L277 HydrophobicContact CG-CD2 4.34Å; Q242-L277 PolarHBondContact NE2-O 2.91Å; Q242-L277 WeakPolarHBondContact O-CD1 3.27Å; Q242-L277 PolarHBondContact OE1-O 3.32Å; Q242-W287 HydrophobicContact CB-CH2 3.84Å; Q242-W287 HydrophobicContact CB-CZ3 3.78Å
243K91.4Very high81.9Confident58 Ų5859.5 Ų59.525%0.25229%0.289SS..Hα-helixtrans-59.3-48.6175.6-75.7-166.8-176.9-161.70110.9P239 D240 I241 L245 I246 W247 W287 E290P239-K243 WeakPolarHBondContact O-CG 3.37Å; P239-K243 PolarHBondContact O-N 3.4Å; D240-K243 PolarHBondContact O-N 3.38Å; I241-K243 VanDerWaalsContact C-N 3.31Å; I241-K243 PolarHBondContact O-N 3.01Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 3.08Å; K243-I246 PolarHBondContact O-N 3.12Å; K243-I246 VanDerWaalsContact O-N 3.12Å; K243-W247 VanDerWaalsContact C-CD1 3.4Å; K243-W247 VanDerWaalsContact O-CG 3.23Å; K243-W247 PolarHBondContact O-N 3.16Å; K243-W247 PolarHBondContact O-NE1 2.99Å; K243-W287 HydrophobicContact CB-CZ3 4.4Å; K243-W287 HydrophobicContact CD-CH2 4.32Å; K243-W287 HydrophobicContact CD-CZ2 4.37Å; K243-W287 HydrophobicContact CG-CD2 4.43Å; K243-W287 HydrophobicContact CG-CE3 3.93Å; K243-W287 HydrophobicContact CG-CH2 3.47Å; K243-W287 VanDerWaalsContact CG-CH2 3.47Å; K243-W287 HydrophobicContact CG-CZ2 3.99Å; K243-W287 HydrophobicContact CG-CZ3 3.43Å; K243-W287 VanDerWaalsContact CG-CZ3 3.43Å; K243-E290 IonicContact NZ-OE1 2.96Å; K243-E290 IonicContact NZ-OE2 3.67Å; K243-E290 PolarHBondContact NZ-OE2 3.16Å
244Q90.4Very high81.3Confident99 Ų9961.8 Ų61.846%0.46329%0.293SS..Hα-helixtrans-56.6-42179.4-171.1-179.58.300112.4D240 I241 W247 N248D240-Q244 WeakPolarHBondContact O-CB 3.44Å; D240-Q244 PolarHBondContact O-N 3.03Å; I241-Q244 WeakPolarHBondContact O-CB 3.38Å; I241-Q244 PolarHBondContact O-N 3.12Å; I241-Q244 VanDerWaalsContact O-N 3.16Å; Q244-W247 PolarHBondContact O-N 3.38Å; Q244-N248 WeakPolarHBondContact O-CB 3.27Å; Q244-N248 PolarHBondContact O-N 3.49Å; Q244-N248 PolarHBondContact O-ND2 2.74Å; Q244-N248 PolarHBondContact O-OD1 3.26Å
245L92Very high80.7Confident0 Ų062 Ų620%030%0.296CS..Hα-helixtrans-64.6-39.9176.9-68.5176000112.8V195 F201 W229 I236 I241 Q242 K243 W247 N248 L249 L277V195-L245 HydrophobicContact CG1-CD2 3.87Å; F201-L245 HydrophobicContact CD2-CD2 3.79Å; F201-L245 HydrophobicContact CE2-CB 4.41Å; F201-L245 HydrophobicContact CE2-CD2 3.74Å; W229-L245 HydrophobicContact CH2-CB 4.14Å; W229-L245 HydrophobicContact CZ3-CB 3.85Å; I236-L245 HydrophobicContact CD1-CD1 3.29Å; I241-L245 HydrophobicContact CG2-CD1 4.31Å; I241-L245 HydrophobicContact CG2-CG 4.47Å; I241-L245 WeakPolarHBondContact O-CG 3.43Å; I241-L245 PolarHBondContact O-N 3.37Å; Q242-L245 PolarHBondContact O-N 3.42Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 3.08Å; L245-W247 VanDerWaalsContact C-N 3.34Å; L245-N248 PolarHBondContact O-N 2.91Å; L245-L249 PolarHBondContact O-N 3.14Å; L245-L249 VanDerWaalsContact O-N 3.1Å; L245-L277 HydrophobicContact CB-CD1 4.13Å
246I91.7Very high79.9Confident1 Ų166.6 Ų66.61%0.00533%0.325CS..Hα-helixtrans-63.6-42.2174.1-63166.7000110.2Q242 K243 L249 A250 L270 A273 V274 L277 W287 V291Q242-I246 WeakPolarHBondContact O-CG1 3.47Å; Q242-I246 PolarHBondContact O-N 3Å; Q242-I246 VanDerWaalsContact O-N 3.15Å; K243-I246 PolarHBondContact O-N 3.12Å; K243-I246 VanDerWaalsContact O-N 3.12Å; I246-L249 WeakPolarHBondContact O-CB 3.39Å; I246-L249 PolarHBondContact O-N 3.25Å; I246-A250 PolarHBondContact O-N 2.86Å; I246-A250 VanDerWaalsContact O-N 3.14Å; I246-L270 HydrophobicContact CG2-CD2 4.07Å; I246-L270 WeakPolarHBondContact O-CD2 3.36Å; I246-A273 HydrophobicContact CG1-CB 4.21Å; I246-V274 HydrophobicContact CD1-CG2 4.09Å; I246-L277 HydrophobicContact CD1-CD1 4.07Å; I246-L277 HydrophobicContact CG1-CD1 3.64Å; I246-W287 HydrophobicContact CD1-CE3 3.91Å; I246-W287 HydrophobicContact CD1-CZ3 4.04Å; I246-V291 HydrophobicContact CG2-CG1 4.49Å; I246-V291 HydrophobicContact CG2-CG2 3.69Å
247W88.8Confident79.2Confident45 Ų4571.6 Ų71.617%0.1735%0.347CS..Hα-helixtrans-68.9-37.2179-58.8131.8000113.1K243 Q244 L245 L249 A250 D251 I252 E290 V291 K294K243-W247 VanDerWaalsContact C-CD1 3.4Å; K243-W247 VanDerWaalsContact O-CG 3.23Å; K243-W247 PolarHBondContact O-N 3.16Å; K243-W247 PolarHBondContact O-NE1 2.99Å; Q244-W247 PolarHBondContact O-N 3.38Å; L245-W247 VanDerWaalsContact C-N 3.34Å; W247-L249 VanDerWaalsContact C-N 3.3Å; W247-L249 PolarHBondContact O-N 3.32Å; W247-A250 WeakPolarHBondContact O-CB 3.18Å; W247-A250 PolarHBondContact O-N 2.94Å; W247-A250 VanDerWaalsContact O-N 3.14Å; W247-D251 PolarHBondContact O-N 3.18Å; W247-I252 HydrophobicContact CD2-CD1 4.34Å; W247-I252 HydrophobicContact CE3-CD1 3.38Å; W247-I252 HydrophobicContact CZ3-CD1 3.76Å; W247-E290 HydrophobicContact CH2-CG 4.36Å; W247-E290 HydrophobicContact CZ2-CG 4.25Å; W247-V291 HydrophobicContact CH2-CB 4.14Å; W247-V291 HydrophobicContact CH2-CG2 3.63Å; W247-V291 HydrophobicContact CZ2-CG2 4.3Å; W247-V291 HydrophobicContact CZ3-CB 4.23Å; W247-V291 HydrophobicContact CZ3-CG1 4.33Å; W247-V291 HydrophobicContact CZ3-CG2 3.89Å; W247-K294 HydrophobicContact CE3-CD 4.49Å; W247-K294 HydrophobicContact CH2-CB 3.71Å; W247-K294 HydrophobicContact CH2-CD 3.2Å; W247-K294 HydrophobicContact CH2-CG 4.03Å; W247-K294 HydrophobicContact CZ2-CD 3.36Å; W247-K294 HydrophobicContact CZ3-CB 3.66Å; W247-K294 HydrophobicContact CZ3-CD 3.82Å; W247-K294 HydrophobicContact CZ3-CG 4.4Å
248N89.2Confident79.1Confident30 Ų3067.2 Ų67.216%0.1633%0.329CS..Hα-helixtrans-66.5-31.7174.6-69-15.2000112.2F201 Q244 L245 D251F201-N248 HydrophobicContact CB-CB 4.2Å; F201-N248 HydrophobicContact CD1-CB 4.4Å; F201-N248 HydrophobicContact CD2-CB 3.31Å; F201-N248 HydrophobicContact CE2-CB 3.69Å; F201-N248 HydrophobicContact CG-CB 3.7Å; F201-N248 HydrophobicContact CZ-CB 4.41Å; Q244-N248 WeakPolarHBondContact O-CB 3.27Å; Q244-N248 PolarHBondContact O-N 3.49Å; Q244-N248 PolarHBondContact O-ND2 2.74Å; Q244-N248 PolarHBondContact O-OD1 3.26Å; L245-N248 PolarHBondContact O-N 2.91Å; N248-D251 PolarHBondContact O-N 3.46Å
249L89.5Confident79.1Confident1 Ų159.6 Ų59.61%0.00530%0.3CS..Hα-helixtrans-66-39.7169.8-78.6173.1000112.1F201 W222 L226 W229 L245 I246 W247 D251 T259 L270 A273F201-L249 HydrophobicContact CE1-CD2 4.03Å; F201-L249 HydrophobicContact CE1-CG 4.48Å; F201-L249 HydrophobicContact CE2-CG 4.39Å; F201-L249 HydrophobicContact CZ-CD2 3.59Å; F201-L249 HydrophobicContact CZ-CG 3.68Å; W222-L249 HydrophobicContact CZ3-CD2 4.03Å; L226-L249 HydrophobicContact CD2-CD1 3.99Å; W229-L249 HydrophobicContact CH2-CD1 3.48Å; W229-L249 VanDerWaalsContact CH2-CD1 3.48Å; W229-L249 HydrophobicContact CH2-CD2 4.19Å; W229-L249 HydrophobicContact CH2-CG 3.77Å; W229-L249 HydrophobicContact CZ2-CD1 4.39Å; W229-L249 HydrophobicContact CZ3-CD1 3.54Å; W229-L249 HydrophobicContact CZ3-CG 4.27Å; L245-L249 PolarHBondContact O-N 3.14Å; L245-L249 VanDerWaalsContact O-N 3.1Å; I246-L249 WeakPolarHBondContact O-CB 3.39Å; I246-L249 PolarHBondContact O-N 3.25Å; W247-L249 VanDerWaalsContact C-N 3.3Å; W247-L249 PolarHBondContact O-N 3.32Å; L249-D251 PolarHBondContact O-N 3.32Å; L249-T259 HydrophobicContact CD2-CG2 3.95Å; L249-L270 HydrophobicContact CB-CD2 3.96Å; L249-A273 HydrophobicContact CD1-CB 3.6Å
250A83.4Confident79Confident14 Ų1457 Ų5712%0.11628%0.283CS..Hα-helixtrans-70.5-21178.800000113.3I246 W247 I252 L270I246-A250 PolarHBondContact O-N 2.86Å; I246-A250 VanDerWaalsContact O-N 3.14Å; W247-A250 WeakPolarHBondContact O-CB 3.18Å; W247-A250 PolarHBondContact O-N 2.94Å; W247-A250 VanDerWaalsContact O-N 3.14Å; A250-I252 HydrophobicContact CB-CD1 4.11Å; A250-I252 HydrophobicContact CB-CG1 3.7Å; A250-I252 PolarHBondContact O-N 2.93Å; A250-L270 HydrophobicContact CB-CD1 3.88Å; A250-L270 HydrophobicContact CB-CD2 3.9Å
251D77.4Confident78.5Confident19 Ų1955.9 Ų55.910%0.10228%0.283CS..THydrogen-bonded Turntrans51.142.5-178.4-158.514000112W247 N248 L249 D253 R254 S255 N258W247-D251 PolarHBondContact O-N 3.18Å; N248-D251 PolarHBondContact O-N 3.46Å; L249-D251 PolarHBondContact O-N 3.32Å; D251-D253 PolarHBondContact O-N 2.97Å; D251-R254 PolarHBondContact O-N 3.42Å; D251-S255 VanDerWaalsContact CG-OG 3.31Å; D251-S255 WeakPolarHBondContact OD1-CB 3.43Å; D251-S255 PolarHBondContact OD1-N 2.92Å; D251-S255 PolarHBondContact OD1-OG 2.93Å; D251-S255 PolarHBondContact OD2-OG 3.38Å; D251-S255 VanDerWaalsContact OD2-OG 3.13Å; D251-N258 VanDerWaalsContact OD2-CA 3.31Å; D251-N258 WeakPolarHBondContact OD2-CA 3.38Å
252I63.1Low78.1Confident71 Ų7157 Ų5736%0.36429%0.289SS..THydrogen-bonded Turntrans-60.7-35.2-177.4-61.7-179.8000110.3W247 A250 R254 K294W247-I252 HydrophobicContact CD2-CD1 4.34Å; W247-I252 HydrophobicContact CE3-CD1 3.38Å; W247-I252 HydrophobicContact CZ3-CD1 3.76Å; A250-I252 HydrophobicContact CB-CD1 4.11Å; A250-I252 HydrophobicContact CB-CG1 3.7Å; A250-I252 PolarHBondContact O-N 2.93Å; I252-R254 PolarHBondContact O-N 3.03Å; I252-R254 VanDerWaalsContact O-N 3.12Å; I252-K294 HydrophobicContact CD1-CB 4.26Å
253D59.1Low77.5Confident150 Ų15065.2 Ų65.280%0.80232%0.32SS*.THydrogen-bonded Turntrans-87.547.2179.4-63.3-32000112.3D251 S255D251-D253 PolarHBondContact O-N 2.97Å; D253-S255 VanDerWaalsContact C-N 3.28Å; D253-S255 PolarHBondContact O-N 3.33Å
254R52.9Low77Confident241 Ų24165.3 Ų65.391%0.90933%0.327SS*.  trans27.854.2164.3-63.1-173.1178.4-175.3-0.3115.7D251 I252D251-R254 PolarHBondContact O-N 3.42Å; I252-R254 PolarHBondContact O-N 3.03Å; I252-R254 VanDerWaalsContact O-N 3.12Å
255S51.7Low76.8Confident31 Ų3160.7 Ų60.722%0.21731%0.305CS..  trans-72.3154165.8790000108.7D251 D253 K257D251-S255 VanDerWaalsContact CG-OG 3.31Å; D251-S255 WeakPolarHBondContact OD1-CB 3.43Å; D251-S255 PolarHBondContact OD1-N 2.92Å; D251-S255 PolarHBondContact OD1-OG 2.93Å; D251-S255 PolarHBondContact OD2-OG 3.38Å; D251-S255 VanDerWaalsContact OD2-OG 3.13Å; D253-S255 VanDerWaalsContact C-N 3.28Å; D253-S255 PolarHBondContact O-N 3.33Å; S255-K257 PolarHBondContact O-N 3.32Å
256P50.5Low76.7Confident136 Ų13661.9 Ų61.988%0.88331%0.312SS*.SBendtrans-69.1-1.8-166.723.6-32000115.3
257K63.6Low76.6Confident107 Ų10761.9 Ų61.947%0.46531%0.312SS..SBendtrans-143.7111.4178.2-67.5-174.7-177.3176.60111.3Q208 S255 T259Q208-K257 HydrophobicContact CB-CD 4.2Å; Q208-K257 HydrophobicContact CG-CB 4.39Å; Q208-K257 PolarHBondContact NE2-O 3.36Å; Q208-K257 PolarHBondContact O-NZ 3.12Å; S255-K257 PolarHBondContact O-N 3.32Å; K257-T259 PolarHBondContact O-N 3.36Å
258N75.6Confident76.7Confident66 Ų6659.7 Ų59.735%0.35330%0.303SS..  trans-54.6125.2176.2-54.3-11.8000111D251 V260D251-N258 VanDerWaalsContact OD2-CA 3.31Å; D251-N258 WeakPolarHBondContact OD2-CA 3.38Å; N258-V260 VanDerWaalsContact C-N 3.25Å; N258-V260 WeakPolarHBondContact CB-O 3.46Å; N258-V260 PolarHBondContact O-N 3.2Å
259T86.1Confident76.9Confident0 Ų058.3 Ų58.30%030%0.296CS..SBendtrans-55.8-42.8169-56.40000111L191 F201 Y213 P215 W222 L249 K257L191-T259 HydrophobicContact CD2-CG2 4.29Å; F201-T259 HydrophobicContact CD1-CG2 4.44Å; F201-T259 HydrophobicContact CE1-CG2 3.77Å; Y213-T259 WeakPolarHBondContact OH-CG2 3.46Å; Y213-T259 PolarHBondContact OH-O 2.91Å; P215-T259 WeakPolarHBondContact CB-O 2.82Å; W222-T259 HydrophobicContact CH2-CG2 4.35Å; L249-T259 HydrophobicContact CD2-CG2 3.95Å; K257-T259 PolarHBondContact O-N 3.36Å
260V87.5Confident77.1Confident5 Ų558.2 Ų58.23%0.0330%0.296CS..SBendtrans-99.7104.8169.1-171.20000108.3W222 N258 L266 V269W222-V260 HydrophobicContact CH2-CG2 3.85Å; W222-V260 HydrophobicContact CZ2-CB 4.25Å; W222-V260 HydrophobicContact CZ2-CG1 4.22Å; W222-V260 HydrophobicContact CZ2-CG2 3.79Å; W222-V260 HydrophobicContact CZ3-CG2 4.45Å; N258-V260 VanDerWaalsContact C-N 3.25Å; N258-V260 WeakPolarHBondContact CB-O 3.46Å; N258-V260 PolarHBondContact O-N 3.2Å; V260-L266 HydrophobicContact CB-CB 4.5Å; V260-L266 HydrophobicContact CB-CD1 3.92Å; V260-L266 HydrophobicContact CG1-CB 4.27Å; V260-L266 HydrophobicContact CG1-CD1 4.46Å; V260-L266 HydrophobicContact CG2-CD1 3.76Å; V260-V269 HydrophobicContact CG1-CG2 4.34Å; V260-V269 HydrophobicContact CG2-CB 4.38Å; V260-V269 HydrophobicContact CG2-CG1 3.92Å
261S80.8Confident77.5Confident73 Ų7357.6 Ų57.651%0.5129%0.29SS..SBendtrans-65-41.1-177.252.90000113P215 R263P215-S261 WeakPolarHBondContact CG-OG 3.43Å; S261-R263 PolarHBondContact O-N 2.78Å
262D82.8Confident78.4Confident42 Ų4256.7 Ų56.723%0.22529%0.285CS..  trans-84.3108.6177.9-174.8-2000111.6C264 L265 L266 R314D262-C264 VanDerWaalsContact C-N 3.26Å; D262-C264 PolarHBondContact O-N 2.81Å; D262-C264 WeakPolarHBondContact OD1-CB 3.43Å; D262-C264 PolarHBondContact OD1-N 2.94Å; D262-L265 HydrophobicContact CB-CB 4Å; D262-L265 WeakPolarHBondContact O-CB 3.14Å; D262-L265 PolarHBondContact O-N 3.46Å; D262-L265 VanDerWaalsContact O-N 3.11Å; D262-L266 PolarHBondContact O-N 2.96Å; D262-R314 IonicContact OD2-CZ 3.67Å; D262-R314 IonicContact OD2-NH1 3.87Å; D262-R314 PolarHBondContact OD2-NH1 3.44Å; D262-R314 IonicContact OD2-NH2 2.72Å
263R80Confident79.8Confident181 Ų18153.3 Ų53.368%0.68327%0.268SS*.THydrogen-bonded Turntrans-63.8-27.3177.9-72.4-169174.5-176.11.2113.8S261 L265 L266S261-R263 PolarHBondContact O-N 2.78Å; R263-L265 PolarHBondContact O-N 2.86Å; R263-L266 PolarHBondContact O-N 3.46Å
264C81.7Confident81.5Confident60 Ų6046.1 Ų46.141%0.40523%0.23SC..THydrogen-bonded Turntrans-70.4-25.5176.9-63.20000111.9D262D262-C264 VanDerWaalsContact C-N 3.26Å; D262-C264 PolarHBondContact O-N 2.81Å; D262-C264 WeakPolarHBondContact OD1-CB 3.43Å; D262-C264 PolarHBondContact OD1-N 2.94Å
265L86.2Confident83.5Confident1 Ų134.7 Ų34.71%0.00519%0.186CC..THydrogen-bonded Turntrans-87.8-24.7-179.5177.657.2000112.4A219 W222 D262 R263 L268 V269 H311A219-L265 HydrophobicContact CB-CD1 3.69Å; W222-L265 VanDerWaalsContact CD1-CD2 3.4Å; D262-L265 HydrophobicContact CB-CB 4Å; D262-L265 WeakPolarHBondContact O-CB 3.14Å; D262-L265 PolarHBondContact O-N 3.46Å; D262-L265 VanDerWaalsContact O-N 3.11Å; R263-L265 PolarHBondContact O-N 2.86Å; L265-L268 PolarHBondContact O-N 3.45Å; L265-L268 VanDerWaalsContact O-N 3.13Å; L265-V269 HydrophobicContact CD1-CG2 3.94Å; L265-V269 HydrophobicContact CD2-CG2 4.35Å; L265-V269 HydrophobicContact CG-CG2 3.64Å; L265-V269 WeakPolarHBondContact O-CG2 3.12Å; L265-V269 PolarHBondContact O-N 3.08Å; L265-H311 WeakPolarHBondContact CD1-CE1 3.44Å; L265-H311 WeakPolarHBondContact CD1-NE2 3.26Å
266L89.1Confident85.5Confident26 Ų2633.2 Ų33.214%0.13618%0.176CC..Hα-helixtrans-51.3-47.8-174.9176.865.2000114.2V260 D262 R263 L268 V269 L270 F297V260-L266 HydrophobicContact CB-CB 4.5Å; V260-L266 HydrophobicContact CB-CD1 3.92Å; V260-L266 HydrophobicContact CG1-CB 4.27Å; V260-L266 HydrophobicContact CG1-CD1 4.46Å; V260-L266 HydrophobicContact CG2-CD1 3.76Å; D262-L266 PolarHBondContact O-N 2.96Å; R263-L266 PolarHBondContact O-N 3.46Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 3.25Å; L266-V269 PolarHBondContact O-N 2.98Å; L266-L270 HydrophobicContact CD1-CD1 3.88Å; L266-L270 HydrophobicContact CD1-CD2 4.36Å; L266-L270 HydrophobicContact CD1-CG 3.88Å; L266-L270 HydrophobicContact CG-CD1 3.95Å; L266-L270 HydrophobicContact CG-CG 4.35Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.13Å; L266-F297 HydrophobicContact CD2-CE1 4.42Å; L266-F297 HydrophobicContact CD2-CZ 4.15Å; L266-F297 HydrophobicContact CG-CZ 4.1Å
267P90.3Very high87.5Confident0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-59.2-41.4180-2332.9000112.8L270 Y271 W288 F297 Y302 L307P267-L270 PolarHBondContact O-N 2.63Å; P267-Y271 PolarHBondContact O-N 3.03Å; P267-W288 WeakPolarHBondContact O-CH2 3.39Å; P267-F297 HydrophobicContact CB-CD2 4.01Å; P267-F297 HydrophobicContact CB-CE2 3.76Å; P267-F297 HydrophobicContact CB-CZ 4.06Å; P267-F297 HydrophobicContact CG-CD1 4.13Å; P267-F297 HydrophobicContact CG-CD2 4.24Å; P267-F297 HydrophobicContact CG-CE1 3.83Å; P267-F297 HydrophobicContact CG-CE2 3.95Å; P267-F297 HydrophobicContact CG-CG 4.35Å; P267-F297 HydrophobicContact CG-CZ 3.74Å; P267-Y302 HydrophobicContact CB-CD1 4.41Å; P267-Y302 HydrophobicContact CG-CD1 3.6Å; P267-Y302 HydrophobicContact CG-CE1 4.04Å; P267-Y302 HydrophobicContact CG-CG 4.08Å; P267-L307 HydrophobicContact CB-CD1 3.73Å; P267-L307 HydrophobicContact CB-CD2 3.92Å; P267-L307 HydrophobicContact CB-CG 4.49Å; P267-L307 HydrophobicContact CG-CD2 4.11Å
268L91.3Very high88.9Confident0 Ų023.4 Ų23.40%012%0.118CC..Hα-helixtrans-70.7-36.4179.1-173.462.3000111.9A219 L265 L266 L270 Y271 F272 L304 L307 L308 H311 F322A219-L268 HydrophobicContact CB-CD2 3.69Å; L265-L268 PolarHBondContact O-N 3.45Å; L265-L268 VanDerWaalsContact O-N 3.13Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 3.25Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-Y271 WeakPolarHBondContact O-CB 3.2Å; L268-Y271 PolarHBondContact O-N 3.35Å; L268-F272 HydrophobicContact CD1-CD1 4.38Å; L268-F272 HydrophobicContact CD1-CE1 3.62Å; L268-F272 HydrophobicContact CD1-CE2 4.35Å; L268-F272 HydrophobicContact CD1-CZ 3.62Å; L268-F272 HydrophobicContact CD2-CE2 4.1Å; L268-F272 HydrophobicContact CD2-CZ 3.76Å; L268-F272 HydrophobicContact CG-CD2 4.44Å; L268-F272 HydrophobicContact CG-CE1 3.94Å; L268-F272 HydrophobicContact CG-CE2 3.73Å; L268-F272 HydrophobicContact CG-CZ 3.45Å; L268-F272 VanDerWaalsContact CG-CZ 3.45Å; L268-F272 WeakPolarHBondContact O-CD2 3.36Å; L268-F272 VanDerWaalsContact O-CG 3.22Å; L268-F272 WeakPolarHBondContact O-CG 3.19Å; L268-F272 PolarHBondContact O-N 2.72Å; L268-L304 HydrophobicContact CD1-CD1 3.98Å; L268-L307 HydrophobicContact CB-CD1 4.44Å; L268-L308 HydrophobicContact CD1-CD2 4.33Å; L268-H311 WeakPolarHBondContact CD2-CD2 3.31Å; L268-F322 HydrophobicContact CD2-CE1 4.44Å
269V92.4Very high89.8Confident0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-62.7-42.4173.71740000110.9W222 L226 V260 L265 L266 F272 A273W222-V269 HydrophobicContact CB-CG2 3.84Å; W222-V269 HydrophobicContact CD2-CG1 3.87Å; W222-V269 HydrophobicContact CD2-CG2 3.73Å; W222-V269 HydrophobicContact CE3-CG1 3.63Å; W222-V269 HydrophobicContact CE3-CG2 4.35Å; W222-V269 HydrophobicContact CG-CG1 4.35Å; W222-V269 HydrophobicContact CG-CG2 3.48Å; W222-V269 VanDerWaalsContact CG-CG2 3.48Å; W222-V269 HydrophobicContact CZ3-CG1 4.09Å; L226-V269 HydrophobicContact CD1-CG1 4.07Å; L226-V269 WeakPolarHBondContact CD1-O 3.01Å; V260-V269 HydrophobicContact CG1-CG2 4.34Å; V260-V269 HydrophobicContact CG2-CB 4.38Å; V260-V269 HydrophobicContact CG2-CG1 3.92Å; L265-V269 HydrophobicContact CD1-CG2 3.94Å; L265-V269 HydrophobicContact CD2-CG2 4.35Å; L265-V269 HydrophobicContact CG-CG2 3.64Å; L265-V269 WeakPolarHBondContact O-CG2 3.12Å; L265-V269 PolarHBondContact O-N 3.08Å; L266-V269 PolarHBondContact O-N 2.98Å; V269-F272 WeakPolarHBondContact O-CB 3.3Å; V269-F272 PolarHBondContact O-N 3.41Å; V269-A273 PolarHBondContact O-N 3.09Å
270L93Very high90.1Very high0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-67.4-37.4176.5-68175.4000112I246 L249 A250 L266 P267 L268 F272 A273 V274 W288 V291 F297I246-L270 HydrophobicContact CG2-CD2 4.07Å; I246-L270 WeakPolarHBondContact O-CD2 3.36Å; L249-L270 HydrophobicContact CB-CD2 3.96Å; A250-L270 HydrophobicContact CB-CD1 3.88Å; A250-L270 HydrophobicContact CB-CD2 3.9Å; L266-L270 HydrophobicContact CD1-CD1 3.88Å; L266-L270 HydrophobicContact CD1-CD2 4.36Å; L266-L270 HydrophobicContact CD1-CG 3.88Å; L266-L270 HydrophobicContact CG-CD1 3.95Å; L266-L270 HydrophobicContact CG-CG 4.35Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.13Å; P267-L270 PolarHBondContact O-N 2.63Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L270-F272 VanDerWaalsContact C-N 3.33Å; L270-F272 PolarHBondContact O-N 2.87Å; L270-A273 PolarHBondContact O-N 2.65Å; L270-V274 WeakPolarHBondContact O-CG2 3.35Å; L270-V274 PolarHBondContact O-N 3.12Å; L270-W288 HydrophobicContact CB-CZ3 4.3Å; L270-V291 HydrophobicContact CB-CG1 3.9Å; L270-V291 HydrophobicContact CD1-CG1 3.83Å; L270-V291 HydrophobicContact CG-CG1 4.34Å; L270-F297 HydrophobicContact CD1-CE2 3.77Å; L270-F297 HydrophobicContact CD1-CZ 3.77Å
271Y93.2Very high90.4Very high0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-57.7-46.6171-172.2-103.5000111.1P267 L268 A273 V274 L275 W284 W288 L304 F356 H359P267-Y271 PolarHBondContact O-N 3.03Å; L268-Y271 WeakPolarHBondContact O-CB 3.2Å; L268-Y271 PolarHBondContact O-N 3.35Å; Y271-A273 VanDerWaalsContact C-N 3.33Å; Y271-A273 PolarHBondContact O-N 2.86Å; Y271-V274 PolarHBondContact O-N 2.63Å; Y271-L275 HydrophobicContact CD1-CD1 3.91Å; Y271-L275 HydrophobicContact CD1-CG 4.44Å; Y271-L275 HydrophobicContact CE1-CD1 3.56Å; Y271-L275 HydrophobicContact CE1-CG 4.24Å; Y271-L275 WeakPolarHBondContact O-CG 3.49Å; Y271-L275 PolarHBondContact O-N 3.29Å; Y271-W284 HydrophobicContact CE2-CZ3 4.05Å; Y271-W288 AromaticContact CD2-CD2 3.61Å; Y271-W288 HydrophobicContact CD2-CD2 3.61Å; Y271-W288 AromaticContact CD2-CE2 3.6Å; Y271-W288 AromaticContact CD2-CE3 3.87Å; Y271-W288 HydrophobicContact CD2-CE3 3.87Å; Y271-W288 HydrophobicContact CD2-CG 4.09Å; Y271-W288 HydrophobicContact CD2-CH2 4.13Å; Y271-W288 AromaticContact CD2-CZ2 3.87Å; Y271-W288 HydrophobicContact CD2-CZ2 3.87Å; Y271-W288 HydrophobicContact CD2-CZ3 4.13Å; Y271-W288 HydrophobicContact CE2-CD2 4.27Å; Y271-W288 HydrophobicContact CE2-CG 4.31Å; Y271-W288 HydrophobicContact CG-CH2 4.49Å; Y271-W288 HydrophobicContact CG-CZ3 4.47Å; Y271-L304 HydrophobicContact CD1-CD1 4.17Å; Y271-L304 HydrophobicContact CE1-CD1 4.13Å; Y271-L304 HydrophobicContact CE1-CD2 4.22Å; Y271-F356 HydrophobicContact CE1-CE2 4.29Å; Y271-F356 WeakPolarHBondContact OH-CE2 3.37Å; Y271-H359 AromaticContact CE2-CE1 3.6Å; Y271-H359 PolarHBondContact OH-ND1 3.42Å
272F94.8Very high90.8Very high0 Ų021.1 Ų21.10%010%0.102CC..Hα-helixtrans-63-37.7175.2-60.6-23.1000112.8A219 L223 L226 L268 V269 L270 L275 A276 F322 I327A219-F272 HydrophobicContact CB-CE2 4.22Å; A219-F272 WeakPolarHBondContact O-CE2 3.42Å; L223-F272 HydrophobicContact CB-CD2 3.87Å; L223-F272 HydrophobicContact CB-CE2 3.87Å; L223-F272 HydrophobicContact CB-CG 4.44Å; L223-F272 HydrophobicContact CB-CZ 4.43Å; L223-F272 HydrophobicContact CD1-CB 4.02Å; L223-F272 HydrophobicContact CD1-CD1 3.78Å; L223-F272 HydrophobicContact CD1-CD2 3.97Å; L223-F272 HydrophobicContact CD1-CE1 4.19Å; L223-F272 HydrophobicContact CD1-CE2 4.36Å; L223-F272 HydrophobicContact CD1-CG 3.66Å; L223-F272 HydrophobicContact CD1-CZ 4.45Å; L223-F272 HydrophobicContact CG-CD2 4.49Å; L226-F272 HydrophobicContact CD1-CB 3.67Å; L268-F272 HydrophobicContact CD1-CD1 4.38Å; L268-F272 HydrophobicContact CD1-CE1 3.62Å; L268-F272 HydrophobicContact CD1-CE2 4.35Å; L268-F272 HydrophobicContact CD1-CZ 3.62Å; L268-F272 HydrophobicContact CD2-CE2 4.1Å; L268-F272 HydrophobicContact CD2-CZ 3.76Å; L268-F272 HydrophobicContact CG-CD2 4.44Å; L268-F272 HydrophobicContact CG-CE1 3.94Å; L268-F272 HydrophobicContact CG-CE2 3.73Å; L268-F272 HydrophobicContact CG-CZ 3.45Å; L268-F272 VanDerWaalsContact CG-CZ 3.45Å; L268-F272 WeakPolarHBondContact O-CD2 3.36Å; L268-F272 VanDerWaalsContact O-CG 3.22Å; L268-F272 WeakPolarHBondContact O-CG 3.19Å; L268-F272 PolarHBondContact O-N 2.72Å; V269-F272 WeakPolarHBondContact O-CB 3.3Å; V269-F272 PolarHBondContact O-N 3.41Å; L270-F272 VanDerWaalsContact C-N 3.33Å; L270-F272 PolarHBondContact O-N 2.87Å; F272-L275 PolarHBondContact O-N 3.06Å; F272-A276 VanDerWaalsContact O-CB 3.26Å; F272-A276 WeakPolarHBondContact O-CB 3.44Å; F272-A276 PolarHBondContact O-N 3.43Å; F272-F322 HydrophobicContact CZ-CE1 4.32Å; F272-F322 HydrophobicContact CZ-CZ 4.19Å; F272-I327 HydrophobicContact CE1-CD1 3.75Å; F272-I327 HydrophobicContact CE1-CG1 3.81Å; F272-I327 HydrophobicContact CE1-CG2 4.45Å; F272-I327 HydrophobicContact CZ-CD1 4.12Å; F272-I327 HydrophobicContact CZ-CG1 4.2Å
273A94.3Very high91.3Very high0 Ų021.3 Ų21.30%010%0.103CC..Hα-helixtrans-66.8-39.9177.900000112.1L226 I246 L249 V269 L270 Y271 A276 L277L226-A273 HydrophobicContact CD1-CB 4.23Å; I246-A273 HydrophobicContact CG1-CB 4.21Å; L249-A273 HydrophobicContact CD1-CB 3.6Å; V269-A273 PolarHBondContact O-N 3.09Å; L270-A273 PolarHBondContact O-N 2.65Å; Y271-A273 VanDerWaalsContact C-N 3.33Å; Y271-A273 PolarHBondContact O-N 2.86Å; A273-A276 PolarHBondContact O-N 3.31Å; A273-L277 WeakPolarHBondContact O-CB 3.36Å; A273-L277 PolarHBondContact O-N 3.44Å
274V94.5Very high92Very high0 Ų012.7 Ų12.70%07%0.07CC..Hα-helixtrans-62.3-46172.91730000110.5I246 L270 Y271 A276 L277 R278 F279 W284 W287 W288 V291I246-V274 HydrophobicContact CD1-CG2 4.09Å; L270-V274 WeakPolarHBondContact O-CG2 3.35Å; L270-V274 PolarHBondContact O-N 3.12Å; Y271-V274 PolarHBondContact O-N 2.63Å; V274-A276 VanDerWaalsContact C-N 3.28Å; V274-A276 PolarHBondContact O-N 3.31Å; V274-L277 PolarHBondContact O-N 3.35Å; V274-R278 WeakPolarHBondContact O-CB 3.37Å; V274-R278 PolarHBondContact O-N 3.28Å; V274-F279 PolarHBondContact O-N 3.46Å; V274-W284 HydrophobicContact CG1-CE3 4.3Å; V274-W284 WeakPolarHBondContact CG1-O 3.22Å; V274-W287 HydrophobicContact CG1-CB 4.16Å; V274-W288 HydrophobicContact CG1-CB 4.28Å; V274-W288 HydrophobicContact CG2-CE3 4.43Å; V274-V291 HydrophobicContact CG2-CG2 4.04Å
275L94.8Very high92.5Very high0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-62.4-36.1174.2-67.8-178.9000112.1Y271 F272 F279 W284 I327 F330 R334 F356Y271-L275 HydrophobicContact CD1-CD1 3.91Å; Y271-L275 HydrophobicContact CD1-CG 4.44Å; Y271-L275 HydrophobicContact CE1-CD1 3.56Å; Y271-L275 HydrophobicContact CE1-CG 4.24Å; Y271-L275 WeakPolarHBondContact O-CG 3.49Å; Y271-L275 PolarHBondContact O-N 3.29Å; F272-L275 PolarHBondContact O-N 3.06Å; L275-F279 HydrophobicContact CB-CB 4.38Å; L275-F279 HydrophobicContact CD2-CB 3.93Å; L275-F279 HydrophobicContact CD2-CD2 4.03Å; L275-F279 HydrophobicContact CD2-CG 4.03Å; L275-F279 VanDerWaalsContact O-CB 3.23Å; L275-F279 WeakPolarHBondContact O-CB 3.18Å; L275-F279 PolarHBondContact O-N 2.82Å; L275-W284 HydrophobicContact CD2-CD2 4.43Å; L275-W284 HydrophobicContact CD2-CE3 3.9Å; L275-W284 HydrophobicContact CD2-CZ3 3.97Å; L275-I327 HydrophobicContact CD1-CG2 4.17Å; L275-F330 HydrophobicContact CB-CD1 4.45Å; L275-F330 HydrophobicContact CB-CE1 3.72Å; L275-R334 WeakPolarHBondContact O-CD 3.48Å; L275-R334 PolarHBondContact O-NE 3.28Å; L275-F356 HydrophobicContact CD1-CE2 3.95Å; L275-F356 HydrophobicContact CD2-CD2 4.11Å; L275-F356 HydrophobicContact CD2-CE2 4.25Å
276A93.6Very high92.9Very high0 Ų014.6 Ų14.60%08%0.076CC..Hα-helixtrans-73.3-34.9-179.400000113.3L226 W229 F272 A273 V274 F330 R334L226-A276 HydrophobicContact CB-CB 4.37Å; L226-A276 WeakPolarHBondContact O-CB 3.46Å; W229-A276 CarbonylContact C-O 3.6Å; W229-A276 HydrophobicContact CB-CB 3.83Å; F272-A276 VanDerWaalsContact O-CB 3.26Å; F272-A276 WeakPolarHBondContact O-CB 3.44Å; F272-A276 PolarHBondContact O-N 3.43Å; A273-A276 PolarHBondContact O-N 3.31Å; V274-A276 VanDerWaalsContact C-N 3.28Å; V274-A276 PolarHBondContact O-N 3.31Å; A276-F330 HydrophobicContact CB-CZ 3.76Å; A276-R334 PolarHBondContact O-NE 3.29Å; A276-R334 PolarHBondContact O-NH1 3.44Å; A276-R334 PolarHBondContact O-NH2 3.4Å
277L92.9Very high93.1Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-99.2-32-174.1-69.3169.7000113.3W229 I236 Q242 L245 I246 A273 V274W229-L277 HydrophobicContact CB-CD2 3.97Å; W229-L277 HydrophobicContact CB-CG 4.38Å; W229-L277 HydrophobicContact CE3-CD1 3.54Å; W229-L277 HydrophobicContact CE3-CD2 4.01Å; W229-L277 HydrophobicContact CE3-CG 3.81Å; W229-L277 HydrophobicContact CZ3-CD1 3.77Å; I236-L277 HydrophobicContact CD1-CD2 3.93Å; Q242-L277 HydrophobicContact CB-CB 4.14Å; Q242-L277 HydrophobicContact CB-CD1 4.38Å; Q242-L277 VanDerWaalsContact CD-O 3.32Å; Q242-L277 HydrophobicContact CG-CB 4.14Å; Q242-L277 HydrophobicContact CG-CD2 4.34Å; Q242-L277 PolarHBondContact NE2-O 2.91Å; Q242-L277 WeakPolarHBondContact O-CD1 3.27Å; Q242-L277 PolarHBondContact OE1-O 3.32Å; L245-L277 HydrophobicContact CB-CD1 4.13Å; I246-L277 HydrophobicContact CD1-CD1 4.07Å; I246-L277 HydrophobicContact CG1-CD1 3.64Å; A273-L277 WeakPolarHBondContact O-CB 3.36Å; A273-L277 PolarHBondContact O-N 3.44Å; V274-L277 PolarHBondContact O-N 3.35Å
278R92.9Very high93.2Very high37 Ų3715 Ų1514%0.148%0.076CC..THydrogen-bonded Turntrans-113.7-30.9-171.5-164.963.5-175.4164.64.4114.5V274 H281 D283 W284 W287V274-R278 WeakPolarHBondContact O-CB 3.37Å; V274-R278 PolarHBondContact O-N 3.28Å; R278-H281 HydrophobicContact CG-CB 4.41Å; R278-H281 VanDerWaalsContact O-CB 3.25Å; R278-H281 WeakPolarHBondContact O-CB 3.35Å; R278-H281 PolarHBondContact O-CD2 3.09Å; R278-H281 PolarHBondContact O-N 3.16Å; R278-D283 IonicContact CZ-OD1 3.44Å; R278-D283 IonicContact CZ-OD2 3.42Å; R278-D283 VanDerWaalsContact NE-CG 3.28Å; R278-D283 IonicContact NE-OD1 2.83Å; R278-D283 PolarHBondContact NE-OD1 3.27Å; R278-D283 IonicContact NE-OD2 3.84Å; R278-D283 PolarHBondContact NE-OD2 3.25Å; R278-D283 IonicContact NH2-OD1 3.57Å; R278-D283 PolarHBondContact NH2-OD1 2.99Å; R278-D283 IonicContact NH2-OD2 3.36Å; R278-D283 PolarHBondContact NH2-OD2 3.39Å; R278-W284 HydrophobicContact CB-CB 4.21Å; R278-W284 HydrophobicContact CG-CB 3.98Å; R278-W287 HydrophobicContact CB-CD2 4.35Å; R278-W287 HydrophobicContact CB-CE3 4.17Å; R278-W287 HydrophobicContact CG-CD2 3.92Å; R278-W287 HydrophobicContact CG-CE3 4.22Å; R278-W287 HydrophobicContact CG-CG 4.15Å
279F93.7Very high93.1Very high0 Ų022.2 Ų22.20%010%0.103CC..THydrogen-bonded Turntrans-70.5132.9178.5-171-92000111V274 L275 W284 A331 R334 A335 S352 M353 F356V274-F279 PolarHBondContact O-N 3.46Å; L275-F279 HydrophobicContact CB-CB 4.38Å; L275-F279 HydrophobicContact CD2-CB 3.93Å; L275-F279 HydrophobicContact CD2-CD2 4.03Å; L275-F279 HydrophobicContact CD2-CG 4.03Å; L275-F279 VanDerWaalsContact O-CB 3.23Å; L275-F279 WeakPolarHBondContact O-CB 3.18Å; L275-F279 PolarHBondContact O-N 2.82Å; F279-W284 AromaticContact CD2-CD1 3.63Å; F279-W284 AromaticContact CD2-CD2 3.99Å; F279-W284 HydrophobicContact CD2-CD2 3.99Å; F279-W284 AromaticContact CD2-CE2 3.96Å; F279-W284 AromaticContact CD2-CG 3.83Å; F279-W284 HydrophobicContact CD2-CG 3.83Å; F279-W284 AromaticContact CD2-NE1 3.68Å; F279-W284 AromaticContact CE2-NE1 3.76Å; F279-A331 HydrophobicContact CD1-CB 4.33Å; F279-A331 HydrophobicContact CE1-CB 4.06Å; F279-A331 WeakPolarHBondContact CE1-O 3.43Å; F279-R334 PolarHBondContact O-NE 3.13Å; F279-A335 HydrophobicContact CE1-CB 3.96Å; F279-S352 WeakPolarHBondContact CE2-OG 3.37Å; F279-M353 HydrophobicContact CE1-SD 3.73Å; F279-M353 HydrophobicContact CZ-CG 4.12Å; F279-M353 HydrophobicContact CZ-SD 3.36Å; F279-M353 WeakPolarHBondContact CZ-SD 3.49Å; F279-F356 HydrophobicContact CE2-CB 4.07Å
280P93.4Very high93Very high0 Ų024.7 Ų24.70%012%0.115CC..THydrogen-bonded Turncis-99.615.618.640.1-39.1000116.9A335 Y338 C344 T349 S352P280-A335 HydrophobicContact CB-CB 4.41Å; P280-Y338 HydrophobicContact CG-CD1 4.34Å; P280-Y338 HydrophobicContact CG-CG 4.13Å; P280-C344 HydrophobicContact CG-CB 4.33Å; P280-T349 HydrophobicContact CB-CG2 3.99Å; P280-T349 HydrophobicContact CG-CG2 4.26Å; P280-S352 WeakPolarHBondContact O-CB 3.43Å; P280-S352 PolarHBondContact O-OG 3.31Å
281H92.2Very high92.9Very high45 Ų4524.8 Ų24.821%0.20812%0.115CC..SBendtrans-55.4137.4-178.8-66.3-71.5000111.9R278 D283 W284 Y338R278-H281 HydrophobicContact CG-CB 4.41Å; R278-H281 VanDerWaalsContact O-CB 3.25Å; R278-H281 WeakPolarHBondContact O-CB 3.35Å; R278-H281 PolarHBondContact O-CD2 3.09Å; R278-H281 PolarHBondContact O-N 3.16Å; H281-D283 WeakPolarHBondContact CB-OD1 3.42Å; H281-D283 PolarHBondContact O-N 2.88Å; H281-W284 WeakPolarHBondContact O-CB 3.42Å; H281-W284 PolarHBondContact O-N 3.06Å; H281-Y338 AromaticContact NE2-CE1 3.98Å
282P90.4Very high92.6Very high52 Ų5225.7 Ų25.734%0.33812%0.122SC..THydrogen-bonded Turntrans-58.8-17.9-169.6-28.936000117D348P282-D348 HydrophobicContact CG-CB 4.12Å
283D92.9Very high92.2Very high45 Ų4530.3 Ų30.324%0.24115%0.15CC..THydrogen-bonded Turntrans-95.55.5-178.866.9-40.2000113.5R278 H281 I285 D286 W287R278-D283 IonicContact CZ-OD1 3.44Å; R278-D283 IonicContact CZ-OD2 3.42Å; R278-D283 VanDerWaalsContact NE-CG 3.28Å; R278-D283 IonicContact NE-OD1 2.83Å; R278-D283 PolarHBondContact NE-OD1 3.27Å; R278-D283 IonicContact NE-OD2 3.84Å; R278-D283 PolarHBondContact NE-OD2 3.25Å; R278-D283 IonicContact NH2-OD1 3.57Å; R278-D283 PolarHBondContact NH2-OD1 2.99Å; R278-D283 IonicContact NH2-OD2 3.36Å; R278-D283 PolarHBondContact NH2-OD2 3.39Å; H281-D283 WeakPolarHBondContact CB-OD1 3.42Å; H281-D283 PolarHBondContact O-N 2.88Å; D283-I285 PolarHBondContact O-N 3Å; D283-D286 PolarHBondContact O-N 3.2Å; D283-W287 PolarHBondContact O-N 2.86Å; D283-W287 PolarHBondContact OD2-NE1 2.95Å; D283-W287 VanDerWaalsContact OD2-NE1 3.15Å
284W94.2Very high91.8Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-55.9-33.9178.676.2-92.9000112.8Y271 V274 L275 R278 F279 H281 D286 W287 W288 S352 F356Y271-W284 HydrophobicContact CE2-CZ3 4.05Å; V274-W284 HydrophobicContact CG1-CE3 4.3Å; V274-W284 WeakPolarHBondContact CG1-O 3.22Å; L275-W284 HydrophobicContact CD2-CD2 4.43Å; L275-W284 HydrophobicContact CD2-CE3 3.9Å; L275-W284 HydrophobicContact CD2-CZ3 3.97Å; R278-W284 HydrophobicContact CB-CB 4.21Å; R278-W284 HydrophobicContact CG-CB 3.98Å; F279-W284 AromaticContact CD2-CD1 3.63Å; F279-W284 AromaticContact CD2-CD2 3.99Å; F279-W284 HydrophobicContact CD2-CD2 3.99Å; F279-W284 AromaticContact CD2-CE2 3.96Å; F279-W284 AromaticContact CD2-CG 3.83Å; F279-W284 HydrophobicContact CD2-CG 3.83Å; F279-W284 AromaticContact CD2-NE1 3.68Å; F279-W284 AromaticContact CE2-NE1 3.76Å; H281-W284 WeakPolarHBondContact O-CB 3.42Å; H281-W284 PolarHBondContact O-N 3.06Å; W284-D286 VanDerWaalsContact C-N 3.35Å; W284-W287 WeakPolarHBondContact O-CB 3.4Å; W284-W287 PolarHBondContact O-N 3.41Å; W284-W288 PolarHBondContact O-N 3.43Å; W284-S352 PolarHBondContact NE1-OG 2.9Å; W284-F356 HydrophobicContact CH2-CB 4.25Å; W284-F356 HydrophobicContact CH2-CD2 4.01Å; W284-F356 HydrophobicContact CZ2-CB 3.68Å; W284-F356 HydrophobicContact CZ2-CD2 4.26Å; W284-F356 HydrophobicContact CZ2-CG 4.49Å
285I93.5Very high91.3Very high19 Ų1936.4 Ų36.410%0.09718%0.181CC..Hα-helixtrans-71.3-32.4179.6-16965000111.9D283 W287 W288 R289 H359D283-I285 PolarHBondContact O-N 3Å; I285-W287 VanDerWaalsContact C-N 3.32Å; I285-W288 WeakPolarHBondContact O-CB 3.44Å; I285-W288 PolarHBondContact O-N 2.69Å; I285-R289 WeakPolarHBondContact O-CG 3.49Å; I285-R289 PolarHBondContact O-N 3.08Å; I285-H359 HydrophobicContact CD1-CB 4.45Å
286D93.4Very high90.7Very high82 Ų8245.5 Ų45.544%0.43922%0.22SC..Hα-helixtrans-71.2-34.8176.4-58.8-45000110.1D283 W284 R289 E290D283-D286 PolarHBondContact O-N 3.2Å; W284-D286 VanDerWaalsContact C-N 3.35Å; D286-R289 PolarHBondContact O-N 3.16Å; D286-R289 IonicContact OD1-NH1 2.74Å; D286-E290 WeakPolarHBondContact O-CB 3.26Å; D286-E290 PolarHBondContact O-N 2.78Å
287W92.7Very high90.2Very high17 Ų1747 Ų476%0.06423%0.227CC..Hα-helixtrans-64.4-41.8170.2-77.147.8000112P239 Q242 K243 I246 V274 R278 D283 W284 I285 R289 E290 V291P239-W287 HydrophobicContact CB-CH2 4.06Å; P239-W287 HydrophobicContact CB-CZ2 3.99Å; P239-W287 WeakPolarHBondContact O-CH2 3.49Å; Q242-W287 HydrophobicContact CB-CH2 3.84Å; Q242-W287 HydrophobicContact CB-CZ3 3.78Å; K243-W287 HydrophobicContact CB-CZ3 4.4Å; K243-W287 HydrophobicContact CD-CH2 4.32Å; K243-W287 HydrophobicContact CD-CZ2 4.37Å; K243-W287 HydrophobicContact CG-CD2 4.43Å; K243-W287 HydrophobicContact CG-CE3 3.93Å; K243-W287 HydrophobicContact CG-CH2 3.47Å; K243-W287 VanDerWaalsContact CG-CH2 3.47Å; K243-W287 HydrophobicContact CG-CZ2 3.99Å; K243-W287 HydrophobicContact CG-CZ3 3.43Å; K243-W287 VanDerWaalsContact CG-CZ3 3.43Å; I246-W287 HydrophobicContact CD1-CE3 3.91Å; I246-W287 HydrophobicContact CD1-CZ3 4.04Å; V274-W287 HydrophobicContact CG1-CB 4.16Å; R278-W287 HydrophobicContact CB-CD2 4.35Å; R278-W287 HydrophobicContact CB-CE3 4.17Å; R278-W287 HydrophobicContact CG-CD2 3.92Å; R278-W287 HydrophobicContact CG-CE3 4.22Å; R278-W287 HydrophobicContact CG-CG 4.15Å; D283-W287 PolarHBondContact O-N 2.86Å; D283-W287 PolarHBondContact OD2-NE1 2.95Å; D283-W287 VanDerWaalsContact OD2-NE1 3.15Å; W284-W287 WeakPolarHBondContact O-CB 3.4Å; W284-W287 PolarHBondContact O-N 3.41Å; I285-W287 VanDerWaalsContact C-N 3.32Å; W287-R289 VanDerWaalsContact C-N 3.34Å; W287-R289 PolarHBondContact O-N 2.95Å; W287-E290 PolarHBondContact O-N 2.98Å; W287-V291 VanDerWaalsContact O-CG2 3.27Å; W287-V291 WeakPolarHBondContact O-CG2 3.29Å; W287-V291 PolarHBondContact O-N 3.19Å
288W92.1Very high89.4Confident18 Ų1850.2 Ų50.27%0.06824%0.244CC..Hα-helixtrans-58.7-46.6174.4172.2-123.5000111.5P267 L270 Y271 V274 W284 I285 E290 V291 C292 H359P267-W288 WeakPolarHBondContact O-CH2 3.39Å; L270-W288 HydrophobicContact CB-CZ3 4.3Å; Y271-W288 AromaticContact CD2-CD2 3.61Å; Y271-W288 HydrophobicContact CD2-CD2 3.61Å; Y271-W288 AromaticContact CD2-CE2 3.6Å; Y271-W288 AromaticContact CD2-CE3 3.87Å; Y271-W288 HydrophobicContact CD2-CE3 3.87Å; Y271-W288 HydrophobicContact CD2-CG 4.09Å; Y271-W288 HydrophobicContact CD2-CH2 4.13Å; Y271-W288 AromaticContact CD2-CZ2 3.87Å; Y271-W288 HydrophobicContact CD2-CZ2 3.87Å; Y271-W288 HydrophobicContact CD2-CZ3 4.13Å; Y271-W288 HydrophobicContact CE2-CD2 4.27Å; Y271-W288 HydrophobicContact CE2-CG 4.31Å; Y271-W288 HydrophobicContact CG-CH2 4.49Å; Y271-W288 HydrophobicContact CG-CZ3 4.47Å; V274-W288 HydrophobicContact CG1-CB 4.28Å; V274-W288 HydrophobicContact CG2-CE3 4.43Å; W284-W288 PolarHBondContact O-N 3.43Å; I285-W288 WeakPolarHBondContact O-CB 3.44Å; I285-W288 PolarHBondContact O-N 2.69Å; W288-E290 PolarHBondContact O-N 2.87Å; W288-V291 HydrophobicContact CE3-CB 4.47Å; W288-V291 HydrophobicContact CZ3-CG1 4.39Å; W288-V291 WeakPolarHBondContact O-CB 3.48Å; W288-V291 PolarHBondContact O-N 2.96Å; W288-V291 VanDerWaalsContact O-N 3.14Å; W288-C292 WeakPolarHBondContact CZ2-SG 3.32Å; W288-C292 PolarHBondContact O-N 2.96Å; W288-C292 PolarHBondContact O-SG 3.18Å; W288-H359 AromaticContact CD1-NE2 3.86Å; W288-H359 AromaticContact NE1-CE1 3.99Å; W288-H359 AromaticContact NE1-NE2 3.7Å
289R90.6Very high88.2Confident152 Ų15255.7 Ų55.757%0.57427%0.272SS*.Hα-helixtrans-61.2-41.5175-69.2169.9177.7169.3-5.8112.6I285 D286 W287 V291 C292 T293I285-R289 WeakPolarHBondContact O-CG 3.49Å; I285-R289 PolarHBondContact O-N 3.08Å; D286-R289 PolarHBondContact O-N 3.16Å; D286-R289 IonicContact OD1-NH1 2.74Å; W287-R289 VanDerWaalsContact C-N 3.34Å; W287-R289 PolarHBondContact O-N 2.95Å; R289-V291 VanDerWaalsContact C-N 3.29Å; R289-V291 PolarHBondContact O-N 3.23Å; R289-C292 PolarHBondContact O-N 3.48Å; R289-T293 WeakPolarHBondContact O-CG2 3.41Å; R289-T293 PolarHBondContact O-N 3.48Å; R289-T293 PolarHBondContact O-OG1 2.97Å
290E90.4Very high87Confident51 Ų5163.3 Ų63.324%0.23831%0.307CS..Hα-helixtrans-60.1-40.5174.7-168.9-171.6154.900111.2K243 W247 D286 W287 W288 T293 K294K243-E290 IonicContact NZ-OE1 2.96Å; K243-E290 IonicContact NZ-OE2 3.67Å; K243-E290 PolarHBondContact NZ-OE2 3.16Å; W247-E290 HydrophobicContact CH2-CG 4.36Å; W247-E290 HydrophobicContact CZ2-CG 4.25Å; D286-E290 WeakPolarHBondContact O-CB 3.26Å; D286-E290 PolarHBondContact O-N 2.78Å; W287-E290 PolarHBondContact O-N 2.98Å; W288-E290 PolarHBondContact O-N 2.87Å; E290-T293 WeakPolarHBondContact CA-OG1 3.45Å; E290-T293 PolarHBondContact O-OG1 3.44Å; E290-K294 HydrophobicContact CG-CD 4.21Å; E290-K294 WeakPolarHBondContact O-CB 3.08Å; E290-K294 PolarHBondContact O-N 2.83Å; E290-K294 IonicContact OE1-NZ 2.84Å; E290-K294 PolarHBondContact OE1-NZ 3.29Å
291V89.5Confident85.8Confident3 Ų368.5 Ų68.52%0.01833%0.331CS..Hα-helixtrans-65.7-47.2176.4173.50000111.9I246 W247 L270 V274 W287 W288 R289 T293 K294 A295I246-V291 HydrophobicContact CG2-CG1 4.49Å; I246-V291 HydrophobicContact CG2-CG2 3.69Å; W247-V291 HydrophobicContact CH2-CB 4.14Å; W247-V291 HydrophobicContact CH2-CG2 3.63Å; W247-V291 HydrophobicContact CZ2-CG2 4.3Å; W247-V291 HydrophobicContact CZ3-CB 4.23Å; W247-V291 HydrophobicContact CZ3-CG1 4.33Å; W247-V291 HydrophobicContact CZ3-CG2 3.89Å; L270-V291 HydrophobicContact CB-CG1 3.9Å; L270-V291 HydrophobicContact CD1-CG1 3.83Å; L270-V291 HydrophobicContact CG-CG1 4.34Å; V274-V291 HydrophobicContact CG2-CG2 4.04Å; W287-V291 VanDerWaalsContact O-CG2 3.27Å; W287-V291 WeakPolarHBondContact O-CG2 3.29Å; W287-V291 PolarHBondContact O-N 3.19Å; W288-V291 HydrophobicContact CE3-CB 4.47Å; W288-V291 HydrophobicContact CZ3-CG1 4.39Å; W288-V291 WeakPolarHBondContact O-CB 3.48Å; W288-V291 PolarHBondContact O-N 2.96Å; W288-V291 VanDerWaalsContact O-N 3.14Å; R289-V291 VanDerWaalsContact C-N 3.29Å; R289-V291 PolarHBondContact O-N 3.23Å; V291-T293 VanDerWaalsContact C-N 3.33Å; V291-T293 PolarHBondContact O-N 3.31Å; V291-K294 PolarHBondContact O-N 3.12Å; V291-A295 VanDerWaalsContact O-CB 3.22Å; V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 3.27Å
292C87.1Confident85Confident19 Ų1970 Ų7013%0.12834%0.335CS..Hα-helixtrans-56.6-47176.3-66.40000112.1W288 R289 K296 F297W288-C292 WeakPolarHBondContact CZ2-SG 3.32Å; W288-C292 PolarHBondContact O-N 2.96Å; W288-C292 PolarHBondContact O-SG 3.18Å; R289-C292 PolarHBondContact O-N 3.48Å; C292-K296 PolarHBondContact O-N 2.96Å; C292-K296 VanDerWaalsContact O-N 3.15Å; C292-F297 PolarHBondContact O-N 2.94Å
293T87.3Confident84.6Confident97 Ų9769.5 Ų69.560%0.59533%0.33SS*.Hα-helixtrans-66-46.1-178.651.30000112.3R289 E290 V291 K296R289-T293 WeakPolarHBondContact O-CG2 3.41Å; R289-T293 PolarHBondContact O-N 3.48Å; R289-T293 PolarHBondContact O-OG1 2.97Å; E290-T293 WeakPolarHBondContact CA-OG1 3.45Å; E290-T293 PolarHBondContact O-OG1 3.44Å; V291-T293 VanDerWaalsContact C-N 3.33Å; V291-T293 PolarHBondContact O-N 3.31Å; T293-K296 PolarHBondContact O-N 3.45Å
294K85.7Confident84.1Confident103 Ų10367.5 Ų67.545%0.44832%0.319SS..Hα-helixtrans-68.9-39.1179-82.5175167.1173.90113.5W247 I252 E290 V291 K296W247-K294 HydrophobicContact CE3-CD 4.49Å; W247-K294 HydrophobicContact CH2-CB 3.71Å; W247-K294 HydrophobicContact CH2-CD 3.2Å; W247-K294 HydrophobicContact CH2-CG 4.03Å; W247-K294 HydrophobicContact CZ2-CD 3.36Å; W247-K294 HydrophobicContact CZ3-CB 3.66Å; W247-K294 HydrophobicContact CZ3-CD 3.82Å; W247-K294 HydrophobicContact CZ3-CG 4.4Å; I252-K294 HydrophobicContact CD1-CB 4.26Å; E290-K294 HydrophobicContact CG-CD 4.21Å; E290-K294 WeakPolarHBondContact O-CB 3.08Å; E290-K294 PolarHBondContact O-N 2.83Å; E290-K294 IonicContact OE1-NZ 2.84Å; E290-K294 PolarHBondContact OE1-NZ 3.29Å; V291-K294 PolarHBondContact O-N 3.12Å; K294-K296 PolarHBondContact O-N 3.37Å
295A84.2Confident83.7Confident25 Ų2567.6 Ų67.621%0.20732%0.32CS..THydrogen-bonded Turntrans-75.8-3.4176.300000113.3V291 F297V291-A295 VanDerWaalsContact O-CB 3.22Å; V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 3.27Å; A295-F297 VanDerWaalsContact C-N 3.28Å; A295-F297 HydrophobicContact CB-CD1 4.14Å; A295-F297 HydrophobicContact CB-CD2 3.97Å; A295-F297 HydrophobicContact CB-CE1 3.8Å; A295-F297 HydrophobicContact CB-CE2 3.61Å; A295-F297 HydrophobicContact CB-CG 4.21Å; A295-F297 HydrophobicContact CB-CZ 3.5Å; A295-F297 PolarHBondContact O-N 3.13Å
296K82.7Confident83.2Confident190 Ų19068.9 Ų68.983%0.82633%0.329SS*.THydrogen-bonded Turntrans56.937.2-177.4-55.8-177.6179.6-177.80113.2C292 T293 K294 N298C292-K296 PolarHBondContact O-N 2.96Å; C292-K296 VanDerWaalsContact O-N 3.15Å; T293-K296 PolarHBondContact O-N 3.45Å; K294-K296 PolarHBondContact O-N 3.37Å; K296-N298 PolarHBondContact O-N 3.32Å
297F82.8Confident82.8Confident31 Ų3165 Ų6514%0.13631%0.308CS..  trans-72.6125.1172-60.7-31.4000109.4L266 P267 L270 C292 A295 E299 Y302L266-F297 HydrophobicContact CD2-CE1 4.42Å; L266-F297 HydrophobicContact CD2-CZ 4.15Å; L266-F297 HydrophobicContact CG-CZ 4.1Å; P267-F297 HydrophobicContact CB-CD2 4.01Å; P267-F297 HydrophobicContact CB-CE2 3.76Å; P267-F297 HydrophobicContact CB-CZ 4.06Å; P267-F297 HydrophobicContact CG-CD1 4.13Å; P267-F297 HydrophobicContact CG-CD2 4.24Å; P267-F297 HydrophobicContact CG-CE1 3.83Å; P267-F297 HydrophobicContact CG-CE2 3.95Å; P267-F297 HydrophobicContact CG-CG 4.35Å; P267-F297 HydrophobicContact CG-CZ 3.74Å; L270-F297 HydrophobicContact CD1-CE2 3.77Å; L270-F297 HydrophobicContact CD1-CZ 3.77Å; C292-F297 PolarHBondContact O-N 2.94Å; A295-F297 VanDerWaalsContact C-N 3.28Å; A295-F297 HydrophobicContact CB-CD1 4.14Å; A295-F297 HydrophobicContact CB-CD2 3.97Å; A295-F297 HydrophobicContact CB-CE1 3.8Å; A295-F297 HydrophobicContact CB-CE2 3.61Å; A295-F297 HydrophobicContact CB-CG 4.21Å; A295-F297 HydrophobicContact CB-CZ 3.5Å; A295-F297 PolarHBondContact O-N 3.13Å; F297-E299 PolarHBondContact O-N 3.26Å; F297-Y302 HydrophobicContact CB-CD2 3.95Å; F297-Y302 HydrophobicContact CB-CG 4.32Å; F297-Y302 HydrophobicContact CD1-CD2 4.3Å; F297-Y302 HydrophobicContact CD1-CE2 4.5Å; F297-Y302 HydrophobicContact CG-CD2 4.4Å
298N75.7Confident82.5Confident68 Ų6864.2 Ų64.236%0.36431%0.305SS..  trans-68.8122.1170.7-175.61000108.9K296 H300 E301 Y302K296-N298 PolarHBondContact O-N 3.32Å; N298-H300 PolarHBondContact O-N 3.06Å; N298-H300 VanDerWaalsContact O-N 3.17Å; N298-H300 PolarHBondContact OD1-N 2.83Å; N298-E301 HydrophobicContact CB-CB 4.12Å; N298-E301 HydrophobicContact CB-CG 4.16Å; N298-E301 PolarHBondContact ND2-OE1 3.2Å; N298-E301 PolarHBondContact O-N 3.3Å; N298-Y302 PolarHBondContact O-N 3.5Å
299E67.1Low82.1Confident153 Ų15367.4 Ų67.472%0.71532%0.321SS*.THydrogen-bonded Turntrans-56.4-32.7-178.2-68.1-176.4169.100112.1F297F297-E299 PolarHBondContact O-N 3.26Å
300H68.3Low81.7Confident159 Ų15964.3 Ų64.374%0.73632%0.315SS*.THydrogen-bonded Turntrans-75.4-30178.6-63.8-53.7000113.9N298N298-H300 PolarHBondContact O-N 3.06Å; N298-H300 VanDerWaalsContact O-N 3.17Å; N298-H300 PolarHBondContact OD1-N 2.83Å
301E70Confident81.1Confident110 Ų11062.3 Ų62.351%0.51431%0.306SS..THydrogen-bonded Turntrans-90.5-31.2-176.6-70.1169.3-158.600112.6N298N298-E301 HydrophobicContact CB-CB 4.12Å; N298-E301 HydrophobicContact CB-CG 4.16Å; N298-E301 PolarHBondContact ND2-OE1 3.2Å; N298-E301 PolarHBondContact O-N 3.3Å
302Y73.5Confident80.5Confident76 Ų7663.4 Ų63.430%0.29831%0.314SS..SBendtrans-120.635.2-171.5-60.7-72.3000112.7P267 F297 N298 L307P267-Y302 HydrophobicContact CB-CD1 4.41Å; P267-Y302 HydrophobicContact CG-CD1 3.6Å; P267-Y302 HydrophobicContact CG-CE1 4.04Å; P267-Y302 HydrophobicContact CG-CG 4.08Å; F297-Y302 HydrophobicContact CB-CD2 3.95Å; F297-Y302 HydrophobicContact CB-CG 4.32Å; F297-Y302 HydrophobicContact CD1-CD2 4.3Å; F297-Y302 HydrophobicContact CD1-CE2 4.5Å; F297-Y302 HydrophobicContact CG-CD2 4.4Å; N298-Y302 PolarHBondContact O-N 3.5Å; Y302-L307 HydrophobicContact CD1-CD2 4.09Å
303N82.5Confident79.9Confident41 Ų4169.1 Ų69.122%0.21934%0.342CS..  trans-64.2154.8168.974.652000110.4G305 T306 L307 E363N303-G305 PolarHBondContact O-N 2.66Å; N303-G305 WeakPolarHBondContact OD1-CA 3.26Å; N303-G305 PolarHBondContact OD1-N 3.45Å; N303-G305 VanDerWaalsContact OD1-N 3.08Å; N303-T306 PolarHBondContact ND2-OG1 3.2Å; N303-T306 VanDerWaalsContact ND2-OG1 3.12Å; N303-T306 PolarHBondContact O-N 3.48Å; N303-T306 WeakPolarHBondContact OD1-CB 3.4Å; N303-T306 PolarHBondContact OD1-N 2.85Å; N303-T306 PolarHBondContact OD1-OG1 3.01Å; N303-L307 WeakPolarHBondContact O-CG 3.1Å; N303-L307 PolarHBondContact O-N 3.43Å; N303-L307 VanDerWaalsContact O-N 3.12Å; N303-E363 WeakPolarHBondContact CB-OE2 3.45Å
304L83.6Confident79.2Confident3 Ų371.6 Ų71.62%0.01634%0.34CS..Hα-helixtrans-61.7-33.4-175.4-178.564.5000111.7L268 Y271 L307 L308 A360 E363L268-L304 HydrophobicContact CD1-CD1 3.98Å; Y271-L304 HydrophobicContact CD1-CD1 4.17Å; Y271-L304 HydrophobicContact CE1-CD1 4.13Å; Y271-L304 HydrophobicContact CE1-CD2 4.22Å; L304-L307 PolarHBondContact O-N 3.47Å; L304-L308 HydrophobicContact CD1-CD1 4.19Å; L304-L308 HydrophobicContact CD1-CD2 4.48Å; L304-L308 HydrophobicContact CD1-CG 4.12Å; L304-L308 HydrophobicContact CG-CD1 3.91Å; L304-L308 HydrophobicContact CG-CG 4.27Å; L304-L308 WeakPolarHBondContact O-CB 3.22Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.04Å; L304-A360 HydrophobicContact CD2-CB 4.25Å; L304-E363 HydrophobicContact CB-CB 3.75Å; L304-E363 HydrophobicContact CB-CG 4.09Å
305G84.8Confident78.4Confident2 Ų268.7 Ų68.72%0.02133%0.328CS..Hα-helixtrans-61.6-53.5177.200000113.1N303 L307 L308 E309N303-G305 PolarHBondContact O-N 2.66Å; N303-G305 WeakPolarHBondContact OD1-CA 3.26Å; N303-G305 PolarHBondContact OD1-N 3.45Å; N303-G305 VanDerWaalsContact OD1-N 3.08Å; G305-L307 VanDerWaalsContact C-N 3.3Å; G305-L307 PolarHBondContact O-N 3.14Å; G305-L308 PolarHBondContact O-N 3.45Å; G305-L308 VanDerWaalsContact O-N 3.16Å; G305-E309 WeakPolarHBondContact O-CB 3.42Å; G305-E309 WeakPolarHBondContact O-CG 3.45Å; G305-E309 PolarHBondContact O-N 3.1Å
306T83.6Confident77.4Confident46 Ų4673.2 Ų73.228%0.28236%0.358SS..Hα-helixtrans-59.1-41.6177.7-580000111.1N303 E309 L310N303-T306 PolarHBondContact ND2-OG1 3.2Å; N303-T306 VanDerWaalsContact ND2-OG1 3.12Å; N303-T306 PolarHBondContact O-N 3.48Å; N303-T306 WeakPolarHBondContact OD1-CB 3.4Å; N303-T306 PolarHBondContact OD1-N 2.85Å; N303-T306 PolarHBondContact OD1-OG1 3.01Å; T306-E309 PolarHBondContact O-N 2.89Å; T306-L310 HydrophobicContact CG2-CD1 4.17Å; T306-L310 HydrophobicContact CG2-CG 4.48Å; T306-L310 WeakPolarHBondContact O-CB 3.46Å; T306-L310 VanDerWaalsContact O-CG 3.25Å; T306-L310 WeakPolarHBondContact O-CG 3.42Å; T306-L310 PolarHBondContact O-N 3.27Å
307L84.8Confident77.2Confident1 Ų168.2 Ų68.21%0.00534%0.337CS..Hα-helixtrans-60.8-47.8175.2-68.8171.5000111.7P267 L268 Y302 N303 L304 G305 H311P267-L307 HydrophobicContact CB-CD1 3.73Å; P267-L307 HydrophobicContact CB-CD2 3.92Å; P267-L307 HydrophobicContact CB-CG 4.49Å; P267-L307 HydrophobicContact CG-CD2 4.11Å; L268-L307 HydrophobicContact CB-CD1 4.44Å; Y302-L307 HydrophobicContact CD1-CD2 4.09Å; N303-L307 WeakPolarHBondContact O-CG 3.1Å; N303-L307 PolarHBondContact O-N 3.43Å; N303-L307 VanDerWaalsContact O-N 3.12Å; L304-L307 PolarHBondContact O-N 3.47Å; G305-L307 VanDerWaalsContact C-N 3.3Å; G305-L307 PolarHBondContact O-N 3.14Å; L307-H311 PolarHBondContact O-CD2 3.18Å; L307-H311 PolarHBondContact O-N 2.97Å
308L86.7Confident77.4Confident0 Ų069.3 Ų69.30%035%0.348CS..Hα-helixtrans-67.3-38.7180-65.5172.9000112.1L268 L304 G305 H311 S312 V319 F322 F323 I327 L367L268-L308 HydrophobicContact CD1-CD2 4.33Å; L304-L308 HydrophobicContact CD1-CD1 4.19Å; L304-L308 HydrophobicContact CD1-CD2 4.48Å; L304-L308 HydrophobicContact CD1-CG 4.12Å; L304-L308 HydrophobicContact CG-CD1 3.91Å; L304-L308 HydrophobicContact CG-CG 4.27Å; L304-L308 WeakPolarHBondContact O-CB 3.22Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.04Å; G305-L308 PolarHBondContact O-N 3.45Å; G305-L308 VanDerWaalsContact O-N 3.16Å; L308-H311 PolarHBondContact O-N 3.23Å; L308-S312 WeakPolarHBondContact O-CB 3.46Å; L308-S312 PolarHBondContact O-N 2.65Å; L308-V319 HydrophobicContact CB-CG1 3.77Å; L308-V319 HydrophobicContact CB-CG2 4.46Å; L308-V319 HydrophobicContact CD1-CG1 4.2Å; L308-F322 HydrophobicContact CD2-CD1 3.73Å; L308-F322 HydrophobicContact CD2-CE1 3.81Å; L308-F323 HydrophobicContact CD1-CD2 4.42Å; L308-I327 HydrophobicContact CD2-CD1 3.57Å; L308-L367 HydrophobicContact CD1-CD1 3.94Å; L308-L367 HydrophobicContact CD1-CD2 4.46Å
309E84.1Confident78Confident86 Ų8666.7 Ų66.740%0.40233%0.334SS..Hα-helixtrans-62.3-48.9176.3-76.5177.2-17700111.6G305 T306 H311 S312 I313 V319G305-E309 WeakPolarHBondContact O-CB 3.42Å; G305-E309 WeakPolarHBondContact O-CG 3.45Å; G305-E309 PolarHBondContact O-N 3.1Å; T306-E309 PolarHBondContact O-N 2.89Å; E309-H311 PolarHBondContact O-N 3.39Å; E309-S312 PolarHBondContact O-N 2.86Å; E309-S312 VanDerWaalsContact O-N 3.13Å; E309-S312 PolarHBondContact O-OG 2.98Å; E309-I313 WeakPolarHBondContact O-CG1 3.02Å; E309-I313 PolarHBondContact O-N 3.01Å; E309-V319 HydrophobicContact CG-CG2 3.96Å
310L81.5Confident79.1Confident86 Ų8660.6 Ų60.645%0.4531%0.305SS..Hα-helixtrans-56.3-37.1175.8-73.6172.8000112.2T306T306-L310 HydrophobicContact CG2-CD1 4.17Å; T306-L310 HydrophobicContact CG2-CG 4.48Å; T306-L310 WeakPolarHBondContact O-CB 3.46Å; T306-L310 VanDerWaalsContact O-CG 3.25Å; T306-L310 WeakPolarHBondContact O-CG 3.42Å; T306-L310 PolarHBondContact O-N 3.27Å
311H77.4Confident80.1Confident9 Ų955.8 Ų55.84%0.04229%0.285CS..Hα-helixtrans-80.3-30.8178.2-75.5-56.4000114.1L265 L268 L307 L308 E309 I313 R314 Q315L265-H311 WeakPolarHBondContact CD1-CE1 3.44Å; L265-H311 WeakPolarHBondContact CD1-NE2 3.26Å; L268-H311 WeakPolarHBondContact CD2-CD2 3.31Å; L307-H311 PolarHBondContact O-CD2 3.18Å; L307-H311 PolarHBondContact O-N 2.97Å; L308-H311 PolarHBondContact O-N 3.23Å; E309-H311 PolarHBondContact O-N 3.39Å; H311-I313 VanDerWaalsContact C-N 3.27Å; H311-I313 PolarHBondContact O-N 3.05Å; H311-R314 PolarHBondContact O-N 3.18Å; H311-R314 VanDerWaalsContact O-N 3.14Å; H311-Q315 PolarHBondContact O-N 2.93Å
312S78.3Confident81Confident27 Ų2750.9 Ų50.919%0.18926%0.262CS..Hα-helixtrans-59.4-40.6175.374.30000111.5L308 E309 R314 Q315 S316 K317L308-S312 WeakPolarHBondContact O-CB 3.46Å; L308-S312 PolarHBondContact O-N 2.65Å; E309-S312 PolarHBondContact O-N 2.86Å; E309-S312 VanDerWaalsContact O-N 3.13Å; E309-S312 PolarHBondContact O-OG 2.98Å; S312-R314 VanDerWaalsContact C-N 3.29Å; S312-R314 PolarHBondContact O-N 2.84Å; S312-Q315 PolarHBondContact O-N 3.38Å; S312-S316 PolarHBondContact O-N 3.46Å; S312-K317 WeakPolarHBondContact CA-O 3.22Å; S312-K317 VanDerWaalsContact CB-O 3.27Å; S312-K317 WeakPolarHBondContact CB-O 3.36Å
313I72.5Confident82Confident139 Ų13947.2 Ų47.271%0.71325%0.248SC*.Hα-helixtrans-61-39.3176.5-63.6166.9000110.8E309 H311E309-I313 WeakPolarHBondContact O-CG1 3.02Å; E309-I313 PolarHBondContact O-N 3.01Å; H311-I313 VanDerWaalsContact C-N 3.27Å; H311-I313 PolarHBondContact O-N 3.05Å
314R73Confident82.5Confident149 Ų14945.3 Ų45.356%0.56224%0.238SC*.Hα-helixtrans-77.8-28.9-178.9-66.9-175.7179.7-178.82.8114D262 H311 S312D262-R314 IonicContact OD2-CZ 3.67Å; D262-R314 IonicContact OD2-NH1 3.87Å; D262-R314 PolarHBondContact OD2-NH1 3.44Å; D262-R314 IonicContact OD2-NH2 2.72Å; H311-R314 PolarHBondContact O-N 3.18Å; H311-R314 VanDerWaalsContact O-N 3.14Å; S312-R314 VanDerWaalsContact C-N 3.29Å; S312-R314 PolarHBondContact O-N 2.84Å
315Q69Low82.9Confident41 Ų4147.7 Ų47.719%0.19225%0.248CC..Hα-helixtrans-102.9-1.2-175-67.9-171.526.200114.5H311 S312 K317H311-Q315 PolarHBondContact O-N 2.93Å; S312-Q315 PolarHBondContact O-N 3.38Å; Q315-K317 PolarHBondContact O-N 2.87Å
316S64.5Low83.3Confident121 Ų12148.4 Ų48.485%0.84625%0.252SS*.THydrogen-bonded Turntrans57.723.4-177.867.40000115S312S312-S316 PolarHBondContact O-N 3.46Å
317K77.2Confident83.8Confident85 Ų8546.2 Ų46.237%0.3724%0.239SC..SBendtrans-119148.7176.8-71.5-168.3175.1-168.30110.3S312 Q315S312-K317 WeakPolarHBondContact CA-O 3.22Å; S312-K317 VanDerWaalsContact CB-O 3.27Å; S312-K317 WeakPolarHBondContact CB-O 3.36Å; Q315-K317 PolarHBondContact O-N 2.87Å
318S86.7Confident84.3Confident53 Ų5346.2 Ų46.237%0.37124%0.238SC..  trans-63.2149.6176.678.80000110.9F320 D321 F322S318-F320 PolarHBondContact O-N 3.36Å; S318-D321 PolarHBondContact O-N 3.22Å; S318-D321 WeakPolarHBondContact OG-CB 3.31Å; S318-D321 PolarHBondContact OG-N 3.45Å; S318-D321 PolarHBondContact OG-OD2 2.81Å; S318-F322 PolarHBondContact O-N 3.42Å
319V89.6Confident84.7Confident13 Ų1347.2 Ų47.28%0.07925%0.245CC..Hα-helixtrans-55.2-41.3173.7170.90000110.8L308 E309 F322 F323 L367L308-V319 HydrophobicContact CB-CG1 3.77Å; L308-V319 HydrophobicContact CB-CG2 4.46Å; L308-V319 HydrophobicContact CD1-CG1 4.2Å; E309-V319 HydrophobicContact CG-CG2 3.96Å; V319-F322 PolarHBondContact O-N 2.8Å; V319-F323 WeakPolarHBondContact O-CB 3.5Å; V319-F323 PolarHBondContact O-N 3.34Å; V319-L367 HydrophobicContact CG1-CD2 3.69Å; V319-L367 HydrophobicContact CG1-CG 4.46Å
320F89.4Confident85.2Confident25 Ų2544 Ų4411%0.1123%0.229CC..Hα-helixtrans-58.3-51.7176.7-174.7-86.4000111.8S318 F323 W324 K377S318-F320 PolarHBondContact O-N 3.36Å; F320-F323 PolarHBondContact O-N 2.64Å; F320-W324 AromaticContact CD1-CD1 3.89Å; F320-W324 AromaticContact CD2-CD1 3.67Å; F320-W324 AromaticContact CD2-NE1 3.79Å; F320-W324 AromaticContact CE1-CD1 3.62Å; F320-W324 HydrophobicContact CE1-CG 4.26Å; F320-W324 AromaticContact CE2-CD1 3.4Å; F320-W324 AromaticContact CE2-NE1 3.25Å; F320-W324 VanDerWaalsContact CE2-NE1 3.25Å; F320-W324 AromaticContact CG-CD1 3.9Å; F320-W324 AromaticContact CZ-CD1 3.34Å; F320-W324 HydrophobicContact CZ-CG 4.16Å; F320-W324 AromaticContact CZ-NE1 3.5Å; F320-W324 PolarHBondContact O-N 3.11Å; F320-K377 HydrophobicContact CE1-CB 4.12Å; F320-K377 HydrophobicContact CE1-CD 4.13Å; F320-K377 HydrophobicContact CE1-CG 3.88Å; F320-K377 HydrophobicContact CE2-CD 3.96Å; F320-K377 HydrophobicContact CZ-CB 3.91Å; F320-K377 HydrophobicContact CZ-CD 3.55Å; F320-K377 HydrophobicContact CZ-CG 3.75Å
321D88.6Confident85.8Confident58 Ų5839.9 Ų39.931%0.3121%0.208SC..Hα-helixtrans-64.8-42.9-179.7-65.1-44.1000111.2S318 F323 H325 Y384S318-D321 PolarHBondContact O-N 3.22Å; S318-D321 WeakPolarHBondContact OG-CB 3.31Å; S318-D321 PolarHBondContact OG-N 3.45Å; S318-D321 PolarHBondContact OG-OD2 2.81Å; D321-F323 PolarHBondContact O-N 3.01Å; D321-H325 WeakPolarHBondContact O-CA 3.4Å; D321-H325 WeakPolarHBondContact O-CB 3.18Å; D321-H325 PolarHBondContact O-N 3.37Å; D321-Y384 PolarHBondContact OD1-OH 2.93Å
322F90.7Very high86.7Confident7 Ų739.5 Ų39.53%0.03121%0.206CC..Hα-helixtrans-61.6-45.6-179.6179.6-112.7000111.6A219 R220 L268 F272 L308 S318 V319 N326 I327A219-F322 HydrophobicContact CB-CE1 4.48Å; A219-F322 HydrophobicContact CB-CZ 3.91Å; R220-F322 HydrophobicContact CB-CE2 4.24Å; L268-F322 HydrophobicContact CD2-CE1 4.44Å; F272-F322 HydrophobicContact CZ-CE1 4.32Å; F272-F322 HydrophobicContact CZ-CZ 4.19Å; L308-F322 HydrophobicContact CD2-CD1 3.73Å; L308-F322 HydrophobicContact CD2-CE1 3.81Å; S318-F322 PolarHBondContact O-N 3.42Å; V319-F322 PolarHBondContact O-N 2.8Å; F322-N326 HydrophobicContact CD2-CB 4.34Å; F322-N326 VanDerWaalsContact CD2-ND2 3.29Å; F322-N326 WeakPolarHBondContact CD2-ND2 3.32Å; F322-N326 HydrophobicContact CE2-CB 4.19Å; F322-N326 WeakPolarHBondContact O-CB 3.47Å; F322-N326 PolarHBondContact O-N 3.5Å; F322-N326 PolarHBondContact O-ND2 3.29Å; F322-I327 HydrophobicContact CD1-CD1 4.19Å; F322-I327 HydrophobicContact CE1-CD1 3.87Å; F322-I327 HydrophobicContact CE1-CG1 4.26Å
323F93.7Very high87.5Confident0 Ų040.1 Ų40.10%021%0.21CC..Iπ-helixtrans-63.1-57.6177.1178.1-94.9000111.8L308 V319 F320 D321 H325 I327 F328 F356 L357 A360 L367L308-F323 HydrophobicContact CD1-CD2 4.42Å; V319-F323 WeakPolarHBondContact O-CB 3.5Å; V319-F323 PolarHBondContact O-N 3.34Å; F320-F323 PolarHBondContact O-N 2.64Å; D321-F323 PolarHBondContact O-N 3.01Å; F323-H325 PolarHBondContact O-N 3.28Å; F323-I327 HydrophobicContact CD2-CB 4.08Å; F323-I327 HydrophobicContact CD2-CD1 4.06Å; F323-I327 HydrophobicContact CD2-CG2 4.28Å; F323-I327 HydrophobicContact CE2-CB 4.49Å; F323-I327 HydrophobicContact CE2-CG2 4.27Å; F323-I327 CarbonylContact O-C 3.53Å; F323-I327 WeakPolarHBondContact O-CA 3.35Å; F323-I327 WeakPolarHBondContact O-CB 3.25Å; F323-I327 PolarHBondContact O-N 3.48Å; F323-F328 HydrophobicContact CE1-CB 4.39Å; F323-F328 PolarHBondContact O-N 2.81Å; F323-F356 HydrophobicContact CE2-CE1 4.31Å; F323-F356 HydrophobicContact CE2-CE2 4.45Å; F323-F356 AromaticContact CE2-CZ 3.74Å; F323-F356 HydrophobicContact CE2-CZ 3.74Å; F323-F356 AromaticContact CZ-CE1 3.82Å; F323-F356 HydrophobicContact CZ-CE1 3.82Å; F323-F356 AromaticContact CZ-CZ 3.74Å; F323-F356 HydrophobicContact CZ-CZ 3.74Å; F323-L357 HydrophobicContact CE1-CD2 4.2Å; F323-L357 HydrophobicContact CZ-CD2 4.17Å; F323-A360 HydrophobicContact CE2-CB 3.61Å; F323-A360 HydrophobicContact CZ-CB 3.58Å; F323-L367 HydrophobicContact CB-CD1 4.37Å; F323-L367 HydrophobicContact CB-CD2 3.41Å; F323-L367 VanDerWaalsContact CB-CD2 3.41Å; F323-L367 HydrophobicContact CD1-CD1 4.24Å; F323-L367 HydrophobicContact CD1-CD2 4.03Å; F323-L367 HydrophobicContact CD2-CD1 3.7Å; F323-L367 HydrophobicContact CD2-CD2 4.33Å; F323-L367 HydrophobicContact CE1-CD1 4.5Å; F323-L367 HydrophobicContact CE2-CD1 3.99Å; F323-L367 HydrophobicContact CG-CD1 3.84Å; F323-L367 HydrophobicContact CG-CD2 3.68Å; F323-L367 HydrophobicContact CG-CG 4.32Å; F323-L367 HydrophobicContact CZ-CD1 4.38Å
324W93.5Very high88.4Confident1 Ų133.6 Ų33.60%0.00418%0.177CC..Iπ-helixtrans-70.2-33.4-173.8-76.3104.8000113.2F320 F328 T329 L357 Y361 L367 P369 L381 Y384 F405F320-W324 AromaticContact CD1-CD1 3.89Å; F320-W324 AromaticContact CD2-CD1 3.67Å; F320-W324 AromaticContact CD2-NE1 3.79Å; F320-W324 AromaticContact CE1-CD1 3.62Å; F320-W324 HydrophobicContact CE1-CG 4.26Å; F320-W324 AromaticContact CE2-CD1 3.4Å; F320-W324 AromaticContact CE2-NE1 3.25Å; F320-W324 VanDerWaalsContact CE2-NE1 3.25Å; F320-W324 AromaticContact CG-CD1 3.9Å; F320-W324 AromaticContact CZ-CD1 3.34Å; F320-W324 HydrophobicContact CZ-CG 4.16Å; F320-W324 AromaticContact CZ-NE1 3.5Å; F320-W324 PolarHBondContact O-N 3.11Å; W324-F328 HydrophobicContact CE3-CB 3.86Å; W324-F328 AromaticContact CE3-CD1 3.65Å; W324-F328 HydrophobicContact CE3-CD1 3.65Å; W324-F328 AromaticContact CE3-CD2 3.8Å; W324-F328 HydrophobicContact CE3-CD2 3.8Å; W324-F328 HydrophobicContact CE3-CE1 4.13Å; W324-F328 HydrophobicContact CE3-CE2 4.25Å; W324-F328 AromaticContact CE3-CG 3.47Å; W324-F328 HydrophobicContact CE3-CG 3.47Å; W324-F328 VanDerWaalsContact CE3-CG 3.47Å; W324-F328 HydrophobicContact CE3-CZ 4.39Å; W324-F328 HydrophobicContact CH2-CD2 4.38Å; W324-F328 HydrophobicContact CH2-CE2 4.41Å; W324-F328 HydrophobicContact CZ3-CB 4.4Å; W324-F328 AromaticContact CZ3-CD1 3.92Å; W324-F328 HydrophobicContact CZ3-CD1 3.92Å; W324-F328 AromaticContact CZ3-CD2 3.47Å; W324-F328 HydrophobicContact CZ3-CD2 3.47Å; W324-F328 VanDerWaalsContact CZ3-CD2 3.47Å; W324-F328 HydrophobicContact CZ3-CE1 4Å; W324-F328 AromaticContact CZ3-CE2 3.55Å; W324-F328 HydrophobicContact CZ3-CE2 3.55Å; W324-F328 AromaticContact CZ3-CG 3.65Å; W324-F328 HydrophobicContact CZ3-CG 3.65Å; W324-F328 AromaticContact CZ3-CZ 3.81Å; W324-F328 HydrophobicContact CZ3-CZ 3.81Å; W324-T329 WeakPolarHBondContact O-CG2 3.3Å; W324-L357 HydrophobicContact CH2-CD2 3.99Å; W324-L357 HydrophobicContact CZ3-CD2 4.47Å; W324-Y361 WeakPolarHBondContact CH2-OH 3.5Å; W324-Y361 HydrophobicContact CZ2-CE1 4.28Å; W324-Y361 VanDerWaalsContact CZ2-OH 3.23Å; W324-Y361 WeakPolarHBondContact CZ2-OH 3.23Å; W324-L367 PolarHBondContact NE1-O 3.37Å; W324-L367 VanDerWaalsContact NE1-O 3.15Å; W324-P369 HydrophobicContact CZ2-CG 3.77Å; W324-L381 HydrophobicContact CE3-CD1 3.76Å; W324-L381 HydrophobicContact CE3-CD2 4.18Å; W324-L381 HydrophobicContact CZ3-CD1 4.44Å; W324-L381 HydrophobicContact CZ3-CD2 4.19Å; W324-Y384 HydrophobicContact CB-CE2 3.97Å; W324-F405 HydrophobicContact CD2-CZ 4.08Å; W324-F405 AromaticContact CE2-CZ 3.85Å; W324-F405 HydrophobicContact CE3-CE2 4.3Å; W324-F405 HydrophobicContact CE3-CZ 4.04Å; W324-F405 AromaticContact CH2-CE2 3.36Å; W324-F405 HydrophobicContact CH2-CE2 3.36Å; W324-F405 AromaticContact CH2-CZ 3.61Å; W324-F405 HydrophobicContact CH2-CZ 3.61Å; W324-F405 AromaticContact CZ2-CE2 3.8Å; W324-F405 HydrophobicContact CZ2-CE2 3.8Å; W324-F405 AromaticContact CZ2-CZ 3.6Å; W324-F405 HydrophobicContact CZ2-CZ 3.6Å; W324-F405 AromaticContact CZ3-CE2 3.63Å; W324-F405 HydrophobicContact CZ3-CE2 3.63Å; W324-F405 AromaticContact CZ3-CZ 3.82Å; W324-F405 HydrophobicContact CZ3-CZ 3.82Å
325H92.4Very high89.4Confident52 Ų5226.5 Ų26.524%0.24115%0.15CC..Iπ-helixtrans-79.5-34.8179.7-175.163.5000113.6D321 F323 T329 Y384D321-H325 WeakPolarHBondContact O-CA 3.4Å; D321-H325 WeakPolarHBondContact O-CB 3.18Å; D321-H325 PolarHBondContact O-N 3.37Å; F323-H325 PolarHBondContact O-N 3.28Å; H325-T329 VanDerWaalsContact O-CG2 3.26Å; H325-T329 WeakPolarHBondContact O-CG2 3.28Å; H325-T329 PolarHBondContact O-OG1 3.21Å; H325-Y384 VanDerWaalsContact CA-CD2 3.45Å; H325-Y384 HydrophobicContact CB-CD1 4.16Å; H325-Y384 HydrophobicContact CB-CD2 3.88Å; H325-Y384 HydrophobicContact CB-CE1 4.08Å; H325-Y384 HydrophobicContact CB-CE2 3.82Å; H325-Y384 HydrophobicContact CB-CG 4.05Å; H325-Y384 AromaticContact CE1-CD1 3.83Å; H325-Y384 AromaticContact CG-CD1 3.87Å; H325-Y384 AromaticContact CG-CG 3.98Å; H325-Y384 WeakPolarHBondContact ND1-CB 3.16Å; H325-Y384 AromaticContact ND1-CD1 2.97Å; H325-Y384 WeakPolarHBondContact ND1-CD1 3.33Å; H325-Y384 AromaticContact ND1-CD2 3.88Å; H325-Y384 AromaticContact ND1-CE1 3.59Å; H325-Y384 AromaticContact ND1-CG 3.14Å
326N91.7Very high90.6Very high18 Ų1825 Ų2510%0.09614%0.144CC..Iπ-helixtrans-113.3-53.6-172.5-50-91.9000112.2L223 F322 T329 F330L223-N326 HydrophobicContact CD2-CB 3.66Å; F322-N326 HydrophobicContact CD2-CB 4.34Å; F322-N326 VanDerWaalsContact CD2-ND2 3.29Å; F322-N326 WeakPolarHBondContact CD2-ND2 3.32Å; F322-N326 HydrophobicContact CE2-CB 4.19Å; F322-N326 WeakPolarHBondContact O-CB 3.47Å; F322-N326 PolarHBondContact O-N 3.5Å; F322-N326 PolarHBondContact O-ND2 3.29Å; N326-T329 PolarHBondContact O-OG1 3.1Å; N326-T329 VanDerWaalsContact O-OG1 3.13Å; N326-F330 WeakPolarHBondContact O-CB 2.99Å; N326-F330 PolarHBondContact O-N 3.34Å; N326-F330 VanDerWaalsContact O-N 3.09Å
327I94.5Very high91.9Very high0 Ų021.3 Ų21.30%011%0.114CC..Iπ-helixtrans-74.7-47.4-173.2-53.7177.6000110.7L223 F272 L275 L308 F322 F323 F330 A331 F356L223-I327 HydrophobicContact CD2-CG1 4.39Å; F272-I327 HydrophobicContact CE1-CD1 3.75Å; F272-I327 HydrophobicContact CE1-CG1 3.81Å; F272-I327 HydrophobicContact CE1-CG2 4.45Å; F272-I327 HydrophobicContact CZ-CD1 4.12Å; F272-I327 HydrophobicContact CZ-CG1 4.2Å; L275-I327 HydrophobicContact CD1-CG2 4.17Å; L308-I327 HydrophobicContact CD2-CD1 3.57Å; F322-I327 HydrophobicContact CD1-CD1 4.19Å; F322-I327 HydrophobicContact CE1-CD1 3.87Å; F322-I327 HydrophobicContact CE1-CG1 4.26Å; F323-I327 HydrophobicContact CD2-CB 4.08Å; F323-I327 HydrophobicContact CD2-CD1 4.06Å; F323-I327 HydrophobicContact CD2-CG2 4.28Å; F323-I327 HydrophobicContact CE2-CB 4.49Å; F323-I327 HydrophobicContact CE2-CG2 4.27Å; F323-I327 CarbonylContact O-C 3.53Å; F323-I327 WeakPolarHBondContact O-CA 3.35Å; F323-I327 WeakPolarHBondContact O-CB 3.25Å; F323-I327 PolarHBondContact O-N 3.48Å; I327-F330 WeakPolarHBondContact O-CB 3.25Å; I327-F330 PolarHBondContact O-N 3.4Å; I327-A331 WeakPolarHBondContact O-CB 3.5Å; I327-A331 PolarHBondContact O-N 3.08Å; I327-F356 HydrophobicContact CG2-CE2 4.28Å; I327-F356 HydrophobicContact CG2-CZ 3.9Å
328F95.7Very high92.6Very high0 Ų017.6 Ų17.60%010%0.098CC..Iπ-helixtrans-64.9-49.1178.8174.5-97.4000111.6F323 W324 F330 A331 I332 M353 F356 L357 L381 F385 F397 I400F323-F328 HydrophobicContact CE1-CB 4.39Å; F323-F328 PolarHBondContact O-N 2.81Å; W324-F328 HydrophobicContact CE3-CB 3.86Å; W324-F328 AromaticContact CE3-CD1 3.65Å; W324-F328 HydrophobicContact CE3-CD1 3.65Å; W324-F328 AromaticContact CE3-CD2 3.8Å; W324-F328 HydrophobicContact CE3-CD2 3.8Å; W324-F328 HydrophobicContact CE3-CE1 4.13Å; W324-F328 HydrophobicContact CE3-CE2 4.25Å; W324-F328 AromaticContact CE3-CG 3.47Å; W324-F328 HydrophobicContact CE3-CG 3.47Å; W324-F328 VanDerWaalsContact CE3-CG 3.47Å; W324-F328 HydrophobicContact CE3-CZ 4.39Å; W324-F328 HydrophobicContact CH2-CD2 4.38Å; W324-F328 HydrophobicContact CH2-CE2 4.41Å; W324-F328 HydrophobicContact CZ3-CB 4.4Å; W324-F328 AromaticContact CZ3-CD1 3.92Å; W324-F328 HydrophobicContact CZ3-CD1 3.92Å; W324-F328 AromaticContact CZ3-CD2 3.47Å; W324-F328 HydrophobicContact CZ3-CD2 3.47Å; W324-F328 VanDerWaalsContact CZ3-CD2 3.47Å; W324-F328 HydrophobicContact CZ3-CE1 4Å; W324-F328 AromaticContact CZ3-CE2 3.55Å; W324-F328 HydrophobicContact CZ3-CE2 3.55Å; W324-F328 AromaticContact CZ3-CG 3.65Å; W324-F328 HydrophobicContact CZ3-CG 3.65Å; W324-F328 AromaticContact CZ3-CZ 3.81Å; W324-F328 HydrophobicContact CZ3-CZ 3.81Å; F328-F330 PolarHBondContact O-N 3.16Å; F328-A331 PolarHBondContact O-N 3.42Å; F328-I332 HydrophobicContact CD1-CG2 4.26Å; F328-I332 HydrophobicContact CE1-CB 4.34Å; F328-I332 HydrophobicContact CE1-CD1 3.95Å; F328-I332 HydrophobicContact CE1-CG2 3.98Å; F328-I332 HydrophobicContact CE2-CB 4.5Å; F328-I332 HydrophobicContact CE2-CD1 4.16Å; F328-I332 HydrophobicContact CZ-CB 4.22Å; F328-I332 HydrophobicContact CZ-CD1 3.43Å; F328-I332 VanDerWaalsContact CZ-CD1 3.43Å; F328-I332 HydrophobicContact CZ-CG1 4.45Å; F328-I332 HydrophobicContact CZ-CG2 4.36Å; F328-I332 WeakPolarHBondContact O-CB 3.43Å; F328-I332 WeakPolarHBondContact O-CG2 3.15Å; F328-I332 PolarHBondContact O-N 3.09Å; F328-M353 HydrophobicContact CD2-CE 4.14Å; F328-M353 HydrophobicContact CE2-CE 3.67Å; F328-F356 HydrophobicContact CD2-CE1 4.48Å; F328-L357 HydrophobicContact CD2-CD2 4.11Å; F328-L357 HydrophobicContact CE2-CD2 4.34Å; F328-L381 HydrophobicContact CD1-CD1 3.72Å; F328-L381 HydrophobicContact CE1-CD1 3.76Å; F328-L381 HydrophobicContact CE1-CD2 4.43Å; F328-F385 HydrophobicContact CE1-CZ 4.4Å; F328-F397 HydrophobicContact CE1-CD2 4.37Å; F328-F397 HydrophobicContact CE1-CE2 4.17Å; F328-I400 HydrophobicContact CE2-CD1 3.97Å; F328-I400 HydrophobicContact CE2-CG2 3.96Å; F328-I400 HydrophobicContact CZ-CD1 4.06Å; F328-I400 HydrophobicContact CZ-CG2 3.93Å
329T94.6Very high92.9Very high21 Ų2116 Ų1613%0.1299%0.086CC..Hα-helixtrans-59-38.3177.756.40000111.4W324 H325 N326 S333 F385W324-T329 WeakPolarHBondContact O-CG2 3.3Å; H325-T329 VanDerWaalsContact O-CG2 3.26Å; H325-T329 WeakPolarHBondContact O-CG2 3.28Å; H325-T329 PolarHBondContact O-OG1 3.21Å; N326-T329 PolarHBondContact O-OG1 3.1Å; N326-T329 VanDerWaalsContact O-OG1 3.13Å; T329-S333 VanDerWaalsContact O-CB 3.23Å; T329-S333 WeakPolarHBondContact O-CB 3.27Å; T329-S333 PolarHBondContact O-N 3.47Å; T329-S333 VanDerWaalsContact O-N 3.11Å; T329-S333 PolarHBondContact O-OG 3.41Å; T329-F385 HydrophobicContact CG2-CE1 4.02Å; T329-F385 HydrophobicContact CG2-CE2 4.17Å; T329-F385 HydrophobicContact CG2-CZ 3.75Å
330F94Very high93.1Very high19 Ų1920.1 Ų20.18%0.08311%0.108CC..Hα-helixtrans-61.3-55.8172.1170.3-113.1000111.9L223 L275 A276 N326 I327 F328 I332 S333 R334L223-F330 HydrophobicContact CD1-CB 4.32Å; L223-F330 HydrophobicContact CD1-CD1 3.61Å; L223-F330 HydrophobicContact CD1-CD2 4.46Å; L223-F330 HydrophobicContact CD1-CE1 3.94Å; L223-F330 HydrophobicContact CD1-CG 3.86Å; L275-F330 HydrophobicContact CB-CD1 4.45Å; L275-F330 HydrophobicContact CB-CE1 3.72Å; A276-F330 HydrophobicContact CB-CZ 3.76Å; N326-F330 WeakPolarHBondContact O-CB 2.99Å; N326-F330 PolarHBondContact O-N 3.34Å; N326-F330 VanDerWaalsContact O-N 3.09Å; I327-F330 WeakPolarHBondContact O-CB 3.25Å; I327-F330 PolarHBondContact O-N 3.4Å; F328-F330 PolarHBondContact O-N 3.16Å; F330-I332 PolarHBondContact O-N 2.88Å; F330-S333 PolarHBondContact O-N 3.47Å; F330-R334 HydrophobicContact CE2-CG 4.29Å; F330-R334 WeakPolarHBondContact O-CG 3.43Å; F330-R334 PolarHBondContact O-N 3.07Å
331A95.5Very high93.1Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-60.5-48.1-177.900000112.1F279 I327 F328 S333 R334 A335 F356F279-A331 HydrophobicContact CD1-CB 4.33Å; F279-A331 HydrophobicContact CE1-CB 4.06Å; F279-A331 WeakPolarHBondContact CE1-O 3.43Å; I327-A331 WeakPolarHBondContact O-CB 3.5Å; I327-A331 PolarHBondContact O-N 3.08Å; F328-A331 PolarHBondContact O-N 3.42Å; A331-S333 PolarHBondContact O-N 3.25Å; A331-R334 WeakPolarHBondContact O-CB 3.29Å; A331-R334 PolarHBondContact O-N 3.5Å; A331-A335 PolarHBondContact O-N 2.91Å; A331-F356 HydrophobicContact CB-CD1 4.48Å; A331-F356 HydrophobicContact CB-CE1 4.06Å; A331-F356 HydrophobicContact CB-CZ 4.11Å
332I96.1Very high93.2Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-68-34.8-177.7-164.6159.5000112.7F328 F330 R334 A335 V336 M353 F385 I391 I396 F397 I400F328-I332 HydrophobicContact CD1-CG2 4.26Å; F328-I332 HydrophobicContact CE1-CB 4.34Å; F328-I332 HydrophobicContact CE1-CD1 3.95Å; F328-I332 HydrophobicContact CE1-CG2 3.98Å; F328-I332 HydrophobicContact CE2-CB 4.5Å; F328-I332 HydrophobicContact CE2-CD1 4.16Å; F328-I332 HydrophobicContact CZ-CB 4.22Å; F328-I332 HydrophobicContact CZ-CD1 3.43Å; F328-I332 VanDerWaalsContact CZ-CD1 3.43Å; F328-I332 HydrophobicContact CZ-CG1 4.45Å; F328-I332 HydrophobicContact CZ-CG2 4.36Å; F328-I332 WeakPolarHBondContact O-CB 3.43Å; F328-I332 WeakPolarHBondContact O-CG2 3.15Å; F328-I332 PolarHBondContact O-N 3.09Å; F330-I332 PolarHBondContact O-N 2.88Å; I332-R334 PolarHBondContact O-N 2.97Å; I332-A335 PolarHBondContact O-N 2.77Å; I332-V336 HydrophobicContact CG1-CG2 4.26Å; I332-V336 WeakPolarHBondContact O-CB 3.49Å; I332-V336 VanDerWaalsContact O-CG2 3.31Å; I332-V336 WeakPolarHBondContact O-CG2 3.4Å; I332-V336 PolarHBondContact O-N 3.46Å; I332-M353 HydrophobicContact CB-CE 4.21Å; I332-M353 HydrophobicContact CG1-CE 4.46Å; I332-F385 HydrophobicContact CG2-CE1 4.07Å; I332-F385 HydrophobicContact CG2-CZ 3.91Å; I332-I391 HydrophobicContact CD1-CG2 4.37Å; I332-I391 HydrophobicContact CG1-CG2 4.23Å; I332-I391 HydrophobicContact CG2-CG2 4.13Å; I332-I396 HydrophobicContact CD1-CG2 4.46Å; I332-I396 HydrophobicContact CG1-CG2 4.41Å; I332-F397 HydrophobicContact CD1-CB 3.86Å; I332-F397 HydrophobicContact CD1-CD2 3.69Å; I332-F397 HydrophobicContact CD1-CG 4.23Å; I332-I400 HydrophobicContact CD1-CD1 3.65Å
333S93.8Very high93.1Very high40 Ų4033.2 Ų33.228%0.2817%0.169SC..Hα-helixtrans-60.4-39.1174.7-62.20000111.1T329 F330 A331 L337 I391T329-S333 VanDerWaalsContact O-CB 3.23Å; T329-S333 WeakPolarHBondContact O-CB 3.27Å; T329-S333 PolarHBondContact O-N 3.47Å; T329-S333 VanDerWaalsContact O-N 3.11Å; T329-S333 PolarHBondContact O-OG 3.41Å; F330-S333 PolarHBondContact O-N 3.47Å; A331-S333 PolarHBondContact O-N 3.25Å; S333-L337 VanDerWaalsContact O-CB 3.25Å; S333-L337 WeakPolarHBondContact O-CB 3.42Å; S333-L337 PolarHBondContact O-N 2.93Å; S333-I391 WeakPolarHBondContact OG-CD1 3.46Å
334R91.9Very high92.9Very high2 Ų233.9 Ų33.91%0.00817%0.174CC..Hα-helixtrans-69-46.1174.7-63.1-173.668.474.413112.1W229 G230 L275 A276 F279 F330 A331 I332 V336 L337 Y338W229-R334 PolarHBondContact O-NH1 2.9Å; G230-R334 PolarHBondContact O-NH2 3.21Å; L275-R334 WeakPolarHBondContact O-CD 3.48Å; L275-R334 PolarHBondContact O-NE 3.28Å; A276-R334 PolarHBondContact O-NE 3.29Å; A276-R334 PolarHBondContact O-NH1 3.44Å; A276-R334 PolarHBondContact O-NH2 3.4Å; F279-R334 PolarHBondContact O-NE 3.13Å; F330-R334 HydrophobicContact CE2-CG 4.29Å; F330-R334 WeakPolarHBondContact O-CG 3.43Å; F330-R334 PolarHBondContact O-N 3.07Å; A331-R334 WeakPolarHBondContact O-CB 3.29Å; A331-R334 PolarHBondContact O-N 3.5Å; I332-R334 PolarHBondContact O-N 2.97Å; R334-V336 VanDerWaalsContact C-N 3.32Å; R334-V336 PolarHBondContact O-N 3.43Å; R334-L337 PolarHBondContact O-N 2.97Å; R334-Y338 VanDerWaalsContact NH2-CE2 3.28Å; R334-Y338 PolarHBondContact NH2-OH 3.14Å; R334-Y338 WeakPolarHBondContact O-CB 3.34Å; R334-Y338 WeakPolarHBondContact O-CD2 3.44Å; R334-Y338 PolarHBondContact O-N 2.9Å
335A94.5Very high92.9Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-53.5-49.3176.200000111.9F279 P280 A331 I332 T339 T349 M353 I396F279-A335 HydrophobicContact CE1-CB 3.96Å; P280-A335 HydrophobicContact CB-CB 4.41Å; A331-A335 PolarHBondContact O-N 2.91Å; I332-A335 PolarHBondContact O-N 2.77Å; A335-T339 WeakPolarHBondContact O-CB 3.4Å; A335-T339 PolarHBondContact O-N 3.37Å; A335-T339 PolarHBondContact O-OG1 3.41Å; A335-T349 HydrophobicContact CB-CG2 3.45Å; A335-T349 VanDerWaalsContact CB-CG2 3.45Å; A335-M353 HydrophobicContact CB-CG 4.14Å; A335-M353 HydrophobicContact CB-SD 3.9Å; A335-I396 HydrophobicContact CB-CD1 4.46Å
336V94.7Very high93Very high11 Ų1136.3 Ų36.37%0.06719%0.192CC..Hα-helixtrans-63.3-46.3177.6171.70000111I332 R334 T339 N340 I391 H394 I396I332-V336 HydrophobicContact CG1-CG2 4.26Å; I332-V336 WeakPolarHBondContact O-CB 3.49Å; I332-V336 VanDerWaalsContact O-CG2 3.31Å; I332-V336 WeakPolarHBondContact O-CG2 3.4Å; I332-V336 PolarHBondContact O-N 3.46Å; R334-V336 VanDerWaalsContact C-N 3.32Å; R334-V336 PolarHBondContact O-N 3.43Å; V336-T339 PolarHBondContact O-N 3.13Å; V336-N340 WeakPolarHBondContact CG1-ND2 3.29Å; V336-N340 WeakPolarHBondContact O-CB 3.41Å; V336-N340 VanDerWaalsContact O-CG 3.23Å; V336-N340 PolarHBondContact O-N 3.24Å; V336-N340 PolarHBondContact O-ND2 3.4Å; V336-I391 HydrophobicContact CB-CG1 4.45Å; V336-I391 HydrophobicContact CG1-CG1 4.35Å; V336-I391 HydrophobicContact CG2-CG1 4.32Å; V336-I391 HydrophobicContact CG2-CG2 4.45Å; V336-H394 HydrophobicContact CG2-CB 4.18Å; V336-I396 HydrophobicContact CG2-CD1 4.36Å
337L91.8Very high93.1Very high43 Ų4340 Ų4023%0.22521%0.212CC..Hα-helixtrans-60.4-49-179.9-177.863.3000112.6F231 P232 S333 R334 T339 N340 L341F231-L337 HydrophobicContact CD1-CD2 3.74Å; F231-L337 HydrophobicContact CE1-CD2 3.47Å; F231-L337 VanDerWaalsContact CE1-CD2 3.47Å; F231-L337 HydrophobicContact CG-CD2 4.36Å; F231-L337 HydrophobicContact CZ-CD2 3.91Å; P232-L337 VanDerWaalsContact CD-CD2 3.43Å; P232-L337 HydrophobicContact CG-CD1 4.27Å; P232-L337 HydrophobicContact CG-CD2 3.79Å; P232-L337 HydrophobicContact CG-CG 4Å; S333-L337 VanDerWaalsContact O-CB 3.25Å; S333-L337 WeakPolarHBondContact O-CB 3.42Å; S333-L337 PolarHBondContact O-N 2.93Å; R334-L337 PolarHBondContact O-N 2.97Å; L337-T339 VanDerWaalsContact C-N 3.32Å; L337-T339 PolarHBondContact O-N 3.22Å; L337-N340 PolarHBondContact O-N 3.11Å; L337-L341 HydrophobicContact CD1-CD1 4.03Å; L337-L341 HydrophobicContact CD1-CG 4.49Å; L337-L341 HydrophobicContact CG-CD1 4.16Å; L337-L341 WeakPolarHBondContact O-CB 3.33Å; L337-L341 WeakPolarHBondContact O-CG 2.94Å; L337-L341 PolarHBondContact O-N 2.79Å
338Y91.6Very high93.1Very high7 Ų742.9 Ų42.93%0.02723%0.227CC..Hα-helixtrans-65.8-36.3180-86.7-118.3000112.1G230 P280 H281 R334 K342 L343G230-Y338 PolarHBondContact O-OH 3.31Å; P280-Y338 HydrophobicContact CG-CD1 4.34Å; P280-Y338 HydrophobicContact CG-CG 4.13Å; H281-Y338 AromaticContact NE2-CE1 3.98Å; R334-Y338 VanDerWaalsContact NH2-CE2 3.28Å; R334-Y338 PolarHBondContact NH2-OH 3.14Å; R334-Y338 WeakPolarHBondContact O-CB 3.34Å; R334-Y338 WeakPolarHBondContact O-CD2 3.44Å; R334-Y338 PolarHBondContact O-N 2.9Å; Y338-K342 PolarHBondContact O-N 3.18Å; Y338-L343 HydrophobicContact CD1-CB 3.9Å; Y338-L343 HydrophobicContact CD1-CD1 3.94Å; Y338-L343 HydrophobicContact CE1-CD1 4.13Å; Y338-L343 HydrophobicContact CG-CB 4.46Å; Y338-L343 HydrophobicContact CG-CD1 4.32Å; Y338-L343 PolarHBondContact O-N 2.99Å
339T93Very high93.1Very high19 Ų1942.9 Ų42.912%0.11723%0.227CC..Hα-helixtrans-68.2-44.8176.1-55.60000110.9A335 V336 L337 L341 K342 I346 T349 I396A335-T339 WeakPolarHBondContact O-CB 3.4Å; A335-T339 PolarHBondContact O-N 3.37Å; A335-T339 PolarHBondContact O-OG1 3.41Å; V336-T339 PolarHBondContact O-N 3.13Å; L337-T339 VanDerWaalsContact C-N 3.32Å; L337-T339 PolarHBondContact O-N 3.22Å; T339-L341 VanDerWaalsContact C-N 3.29Å; T339-L341 PolarHBondContact O-N 3.28Å; T339-K342 WeakPolarHBondContact O-CA 3.45Å; T339-K342 PolarHBondContact O-N 3.07Å; T339-I346 HydrophobicContact CG2-CB 3.97Å; T339-I346 HydrophobicContact CG2-CG1 4.24Å; T339-T349 WeakPolarHBondContact OG1-CB 3.43Å; T339-T349 WeakPolarHBondContact OG1-CG2 3.43Å; T339-T349 PolarHBondContact OG1-OG1 3.22Å; T339-I396 HydrophobicContact CG2-CD1 4.3Å
340N92.7Very high93.2Very high100 Ų10044.1 Ų44.154%0.53523%0.232SC..Hα-helixtrans-63.3-34.8177.6-74.5-17.9000112.7V336 L337 K342 H394V336-N340 WeakPolarHBondContact CG1-ND2 3.29Å; V336-N340 WeakPolarHBondContact O-CB 3.41Å; V336-N340 VanDerWaalsContact O-CG 3.23Å; V336-N340 PolarHBondContact O-N 3.24Å; V336-N340 PolarHBondContact O-ND2 3.4Å; L337-N340 PolarHBondContact O-N 3.11Å; N340-K342 PolarHBondContact O-N 3.33Å; N340-H394 PolarHBondContact OD1-NE2 2.89Å
341L90.6Very high93.3Very high85 Ų8551 Ų5145%0.44526%0.257SS..THydrogen-bonded Turntrans-81.42174.3-66.5174.2000113.6P232 L337 T339 L343P232-L341 HydrophobicContact CB-CD1 3.71Å; P232-L341 HydrophobicContact CG-CD1 3.15Å; L337-L341 HydrophobicContact CD1-CD1 4.03Å; L337-L341 HydrophobicContact CD1-CG 4.49Å; L337-L341 HydrophobicContact CG-CD1 4.16Å; L337-L341 WeakPolarHBondContact O-CB 3.33Å; L337-L341 WeakPolarHBondContact O-CG 2.94Å; L337-L341 PolarHBondContact O-N 2.79Å; T339-L341 VanDerWaalsContact C-N 3.29Å; T339-L341 PolarHBondContact O-N 3.28Å; L341-L343 HydrophobicContact CB-CD1 4.25Å; L341-L343 HydrophobicContact CB-CG 4.03Å; L341-L343 HydrophobicContact CD1-CD1 4.48Å; L341-L343 PolarHBondContact O-N 3.05Å
342K90Very high93.3Very high192 Ų19251 Ų5184%0.83526%0.257SS*.THydrogen-bonded Turntrans57.525.2-178.6-54179.8179.9178.80114Y338 T339 N340 C344Y338-K342 PolarHBondContact O-N 3.18Å; T339-K342 WeakPolarHBondContact O-CA 3.45Å; T339-K342 PolarHBondContact O-N 3.07Å; N340-K342 PolarHBondContact O-N 3.33Å; K342-C344 VanDerWaalsContact C-N 3.34Å
343L88.4Confident93.3Very high87 Ų8751 Ų5146%0.45526%0.257SS..SBendtrans-77.3-24174.4-62.8177.2000112Y338 L341Y338-L343 HydrophobicContact CD1-CB 3.9Å; Y338-L343 HydrophobicContact CD1-CD1 3.94Å; Y338-L343 HydrophobicContact CE1-CD1 4.13Å; Y338-L343 HydrophobicContact CG-CB 4.46Å; Y338-L343 HydrophobicContact CG-CD1 4.32Å; Y338-L343 PolarHBondContact O-N 2.99Å; L341-L343 HydrophobicContact CB-CD1 4.25Å; L341-L343 HydrophobicContact CB-CG 4.03Å; L341-L343 HydrophobicContact CD1-CD1 4.48Å; L341-L343 PolarHBondContact O-N 3.05Å
344C89.4Confident93.4Very high15 Ų1551.1 Ų51.110%0.10126%0.255CS..SBendtrans-136.3145.1173.8-720000109.2P280 K342 T349P280-C344 HydrophobicContact CG-CB 4.33Å; K342-C344 VanDerWaalsContact C-N 3.34Å; C344-T349 WeakPolarHBondContact CB-OG1 3.48Å
345S93.9Very high93.5Very high53 Ų5355.8 Ų55.837%0.37128%0.275SS..  trans-69.5148.9174.485.60000110.2N347 D348 T349S345-N347 PolarHBondContact O-N 3.35Å; S345-D348 PolarHBondContact O-N 3.18Å; S345-D348 WeakPolarHBondContact OG-CB 3.39Å; S345-D348 PolarHBondContact OG-N 2.96Å; S345-D348 VanDerWaalsContact OG-N 3.12Å; S345-D348 PolarHBondContact OG-OD2 3.06Å; S345-T349 PolarHBondContact O-N 3.1Å; S345-T349 PolarHBondContact O-OG1 2.79Å; S345-T349 VanDerWaalsContact O-OG1 3.09Å
346I94.6Very high93.6Very high50 Ų5055.8 Ų55.826%0.25628%0.275SS..Hα-helixtrans-58-38.9179-171.3164.9000112.2T339 T349 Q350 E395 I396T339-I346 HydrophobicContact CG2-CB 3.97Å; T339-I346 HydrophobicContact CG2-CG1 4.24Å; I346-T349 PolarHBondContact O-N 3.46Å; I346-Q350 HydrophobicContact CG1-CG 4.45Å; I346-Q350 WeakPolarHBondContact O-CB 3.36Å; I346-Q350 WeakPolarHBondContact O-CG 3.41Å; I346-Q350 PolarHBondContact O-N 3.49Å; I346-E395 HydrophobicContact CD1-CB 4.09Å; I346-E395 WeakPolarHBondContact CD1-OE2 3.49Å; I346-I396 HydrophobicContact CG1-CG1 4.44Å
347N94.7Very high93.7Very high95 Ų9555.2 Ų55.251%0.50827%0.272SS..Hα-helixtrans-66.5-41.8179.5-68.8-19.1000111.6S345 R351S345-N347 PolarHBondContact O-N 3.35Å; N347-R351 WeakPolarHBondContact O-CB 3.2Å; N347-R351 VanDerWaalsContact O-CG 3.29Å; N347-R351 WeakPolarHBondContact O-CG 3.46Å; N347-R351 PolarHBondContact O-N 2.96Å
348D94.5Very high93.8Very high61 Ų6157.2 Ų57.233%0.32628%0.283SS..Hα-helixtrans-68.3-41.1177.6-64.3-37.3000111P282 S345 R351 S352P282-D348 HydrophobicContact CG-CB 4.12Å; S345-D348 PolarHBondContact O-N 3.18Å; S345-D348 WeakPolarHBondContact OG-CB 3.39Å; S345-D348 PolarHBondContact OG-N 2.96Å; S345-D348 VanDerWaalsContact OG-N 3.12Å; S345-D348 PolarHBondContact OG-OD2 3.06Å; D348-R351 PolarHBondContact O-N 2.97Å; D348-S352 VanDerWaalsContact O-CB 3.27Å; D348-S352 WeakPolarHBondContact O-CB 3.24Å; D348-S352 PolarHBondContact O-N 2.83Å
349T95.5Very high93.9Very high0 Ų058.3 Ų58.30%029%0.288CS..Hα-helixtrans-63-43.5175.7-58.40000111.7P280 A335 T339 C344 S345 I346 S352 M353 I396P280-T349 HydrophobicContact CB-CG2 3.99Å; P280-T349 HydrophobicContact CG-CG2 4.26Å; A335-T349 HydrophobicContact CB-CG2 3.45Å; A335-T349 VanDerWaalsContact CB-CG2 3.45Å; T339-T349 WeakPolarHBondContact OG1-CB 3.43Å; T339-T349 WeakPolarHBondContact OG1-CG2 3.43Å; T339-T349 PolarHBondContact OG1-OG1 3.22Å; C344-T349 WeakPolarHBondContact CB-OG1 3.48Å; S345-T349 PolarHBondContact O-N 3.1Å; S345-T349 PolarHBondContact O-OG1 2.79Å; S345-T349 VanDerWaalsContact O-OG1 3.09Å; I346-T349 PolarHBondContact O-N 3.46Å; T349-S352 WeakPolarHBondContact O-CB 3.46Å; T349-S352 PolarHBondContact O-N 3.43Å; T349-M353 PolarHBondContact O-N 2.71Å; T349-I396 HydrophobicContact CG2-CD1 3.62Å
350Q95.7Very high93.9Very high48 Ų4857.4 Ų57.422%0.22428%0.282CS..Hα-helixtrans-60.9-50.1175.8-78.4175.7-20.300111.1I346 S352 M353 D354 I396I346-Q350 HydrophobicContact CG1-CG 4.45Å; I346-Q350 WeakPolarHBondContact O-CB 3.36Å; I346-Q350 WeakPolarHBondContact O-CG 3.41Å; I346-Q350 PolarHBondContact O-N 3.49Å; Q350-S352 PolarHBondContact O-N 2.87Å; Q350-M353 WeakPolarHBondContact O-CB 2.97Å; Q350-M353 PolarHBondContact O-N 2.95Å; Q350-M353 VanDerWaalsContact O-N 3.13Å; Q350-D354 VanDerWaalsContact O-CG 3.25Å; Q350-D354 PolarHBondContact O-N 2.83Å; Q350-I396 HydrophobicContact CG-CG1 4.32Å
351R95.3Very high93.9Very high163 Ų16353.4 Ų53.462%0.61526%0.26SS*.Hα-helixtrans-57.2-36.5174.9-72.4172179.8174.4-1.3112.4N347 D348 K355N347-R351 WeakPolarHBondContact O-CB 3.2Å; N347-R351 VanDerWaalsContact O-CG 3.29Å; N347-R351 WeakPolarHBondContact O-CG 3.46Å; N347-R351 PolarHBondContact O-N 2.96Å; D348-R351 PolarHBondContact O-N 2.97Å; R351-K355 WeakPolarHBondContact O-CB 3.49Å; R351-K355 VanDerWaalsContact O-CG 3.31Å; R351-K355 WeakPolarHBondContact O-CG 3.31Å; R351-K355 PolarHBondContact O-N 3.06Å
352S96.4Very high93.9Very high1 Ų154.2 Ų54.21%0.00727%0.271CS..Hα-helixtrans-69.9-41.2178-163.80000112.3F279 P280 W284 D348 T349 Q350 K355 F356F279-S352 WeakPolarHBondContact CE2-OG 3.37Å; P280-S352 WeakPolarHBondContact O-CB 3.43Å; P280-S352 PolarHBondContact O-OG 3.31Å; W284-S352 PolarHBondContact NE1-OG 2.9Å; D348-S352 VanDerWaalsContact O-CB 3.27Å; D348-S352 WeakPolarHBondContact O-CB 3.24Å; D348-S352 PolarHBondContact O-N 2.83Å; T349-S352 WeakPolarHBondContact O-CB 3.46Å; T349-S352 PolarHBondContact O-N 3.43Å; Q350-S352 PolarHBondContact O-N 2.87Å; S352-K355 PolarHBondContact O-N 2.86Å; S352-F356 WeakPolarHBondContact O-CB 3.36Å; S352-F356 PolarHBondContact O-N 3.16Å
353M96.9Very high93.8Very high0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-61.5-43171.2-77.3-60.5-53.400111.5F279 F328 I332 A335 T349 Q350 F356 L357 I396 I400F279-M353 HydrophobicContact CE1-SD 3.73Å; F279-M353 HydrophobicContact CZ-CG 4.12Å; F279-M353 HydrophobicContact CZ-SD 3.36Å; F279-M353 WeakPolarHBondContact CZ-SD 3.49Å; F328-M353 HydrophobicContact CD2-CE 4.14Å; F328-M353 HydrophobicContact CE2-CE 3.67Å; I332-M353 HydrophobicContact CB-CE 4.21Å; I332-M353 HydrophobicContact CG1-CE 4.46Å; A335-M353 HydrophobicContact CB-CG 4.14Å; A335-M353 HydrophobicContact CB-SD 3.9Å; T349-M353 PolarHBondContact O-N 2.71Å; Q350-M353 WeakPolarHBondContact O-CB 2.97Å; Q350-M353 PolarHBondContact O-N 2.95Å; Q350-M353 VanDerWaalsContact O-N 3.13Å; M353-F356 HydrophobicContact CE-CD1 4.17Å; M353-F356 WeakPolarHBondContact O-CB 3.31Å; M353-F356 PolarHBondContact O-N 3.4Å; M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 3.27Å; M353-I396 HydrophobicContact CG-CG2 3.91Å; M353-I400 HydrophobicContact CB-CD1 4.22Å; M353-I400 HydrophobicContact CE-CD1 3.5Å; M353-I400 VanDerWaalsContact CE-CD1 3.5Å; M353-I400 HydrophobicContact CG-CD1 4.22Å
354D95.1Very high93.9Very high42 Ų4244.9 Ų44.923%0.22523%0.229CC..Hα-helixtrans-63.4-44.6177.7-63.2-13.5000110.7Q350 F356 L357 N358 Q403Q350-D354 VanDerWaalsContact O-CG 3.25Å; Q350-D354 PolarHBondContact O-N 2.83Å; D354-F356 VanDerWaalsContact C-N 3.31Å; D354-F356 PolarHBondContact O-N 3Å; D354-L357 PolarHBondContact O-N 3.42Å; D354-N358 VanDerWaalsContact O-CB 3.23Å; D354-N358 WeakPolarHBondContact O-CB 3.33Å; D354-N358 PolarHBondContact O-N 2.79Å; D354-N358 PolarHBondContact O-ND2 2.68Å; D354-N358 VanDerWaalsContact O-ND2 3.1Å; D354-Q403 PolarHBondContact OD1-OE1 3.14Å
355K95.1Very high93.8Very high99 Ų9951.4 Ų51.443%0.4326%0.258SS..Hα-helixtrans-58.9-42.1172.8-76.9178.5-178.4-174.60112R351 S352 H359R351-K355 WeakPolarHBondContact O-CB 3.49Å; R351-K355 VanDerWaalsContact O-CG 3.31Å; R351-K355 WeakPolarHBondContact O-CG 3.31Å; R351-K355 PolarHBondContact O-N 3.06Å; S352-K355 PolarHBondContact O-N 2.86Å; K355-H359 VanDerWaalsContact O-CB 3.25Å; K355-H359 WeakPolarHBondContact O-CB 3.48Å; K355-H359 PolarHBondContact O-N 3.46Å
356F96.4Very high93.5Very high0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-63.1-47.3178.3165.5-103.1000112.2Y271 L275 F279 W284 F323 I327 F328 A331 S352 M353 D354 A360Y271-F356 HydrophobicContact CE1-CE2 4.29Å; Y271-F356 WeakPolarHBondContact OH-CE2 3.37Å; L275-F356 HydrophobicContact CD1-CE2 3.95Å; L275-F356 HydrophobicContact CD2-CD2 4.11Å; L275-F356 HydrophobicContact CD2-CE2 4.25Å; F279-F356 HydrophobicContact CE2-CB 4.07Å; W284-F356 HydrophobicContact CH2-CB 4.25Å; W284-F356 HydrophobicContact CH2-CD2 4.01Å; W284-F356 HydrophobicContact CZ2-CB 3.68Å; W284-F356 HydrophobicContact CZ2-CD2 4.26Å; W284-F356 HydrophobicContact CZ2-CG 4.49Å; F323-F356 HydrophobicContact CE2-CE1 4.31Å; F323-F356 HydrophobicContact CE2-CE2 4.45Å; F323-F356 AromaticContact CE2-CZ 3.74Å; F323-F356 HydrophobicContact CE2-CZ 3.74Å; F323-F356 AromaticContact CZ-CE1 3.82Å; F323-F356 HydrophobicContact CZ-CE1 3.82Å; F323-F356 AromaticContact CZ-CZ 3.74Å; F323-F356 HydrophobicContact CZ-CZ 3.74Å; I327-F356 HydrophobicContact CG2-CE2 4.28Å; I327-F356 HydrophobicContact CG2-CZ 3.9Å; F328-F356 HydrophobicContact CD2-CE1 4.48Å; A331-F356 HydrophobicContact CB-CD1 4.48Å; A331-F356 HydrophobicContact CB-CE1 4.06Å; A331-F356 HydrophobicContact CB-CZ 4.11Å; S352-F356 WeakPolarHBondContact O-CB 3.36Å; S352-F356 PolarHBondContact O-N 3.16Å; M353-F356 HydrophobicContact CE-CD1 4.17Å; M353-F356 WeakPolarHBondContact O-CB 3.31Å; M353-F356 PolarHBondContact O-N 3.4Å; D354-F356 VanDerWaalsContact C-N 3.31Å; D354-F356 PolarHBondContact O-N 3Å; F356-A360 WeakPolarHBondContact O-CB 3.43Å; F356-A360 PolarHBondContact O-N 3.34Å
357L95.8Very high93.4Very high0 Ų051.7 Ų51.70%026%0.255CS..Hα-helixtrans-67-44177.3-68.7177.6000111.4F323 W324 F328 M353 D354 H359 A360 Y361 I400 H404F323-L357 HydrophobicContact CE1-CD2 4.2Å; F323-L357 HydrophobicContact CZ-CD2 4.17Å; W324-L357 HydrophobicContact CH2-CD2 3.99Å; W324-L357 HydrophobicContact CZ3-CD2 4.47Å; F328-L357 HydrophobicContact CD2-CD2 4.11Å; F328-L357 HydrophobicContact CE2-CD2 4.34Å; M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 3.27Å; D354-L357 PolarHBondContact O-N 3.42Å; L357-H359 PolarHBondContact O-N 2.96Å; L357-A360 PolarHBondContact O-N 3.41Å; L357-A360 VanDerWaalsContact O-N 3.17Å; L357-Y361 HydrophobicContact CB-CD2 4.46Å; L357-Y361 HydrophobicContact CB-CE2 3.88Å; L357-Y361 WeakPolarHBondContact O-CB 3.21Å; L357-Y361 VanDerWaalsContact O-CD2 3.23Å; L357-Y361 WeakPolarHBondContact O-CD2 3.48Å; L357-Y361 PolarHBondContact O-N 2.97Å; L357-I400 HydrophobicContact CD1-CG1 4.16Å; L357-I400 HydrophobicContact CD1-CG2 3.81Å; L357-H404 WeakPolarHBondContact CD1-NE2 3.41Å
358N93.9Very high93.1Very high85 Ų8550.5 Ų50.546%0.45525%0.246SC..Hα-helixtrans-61.1-43.7177-73-28.5000112.1D354 Y361 C362D354-N358 VanDerWaalsContact O-CB 3.23Å; D354-N358 WeakPolarHBondContact O-CB 3.33Å; D354-N358 PolarHBondContact O-N 2.79Å; D354-N358 PolarHBondContact O-ND2 2.68Å; D354-N358 VanDerWaalsContact O-ND2 3.1Å; N358-Y361 PolarHBondContact O-N 3.02Å; N358-C362 WeakPolarHBondContact O-CB 3.46Å; N358-C362 PolarHBondContact O-N 2.91Å; N358-C362 PolarHBondContact O-SG 3.42Å
359H93.1Very high92.7Very high30 Ų3047.8 Ų47.814%0.13923%0.232CC..Hα-helixtrans-56.6-53171.7170.8-97.9000110.4Y271 I285 W288 K355 L357 Y361 C362 E363Y271-H359 AromaticContact CE2-CE1 3.6Å; Y271-H359 PolarHBondContact OH-ND1 3.42Å; I285-H359 HydrophobicContact CD1-CB 4.45Å; W288-H359 AromaticContact CD1-NE2 3.86Å; W288-H359 AromaticContact NE1-CE1 3.99Å; W288-H359 AromaticContact NE1-NE2 3.7Å; K355-H359 VanDerWaalsContact O-CB 3.25Å; K355-H359 WeakPolarHBondContact O-CB 3.48Å; K355-H359 PolarHBondContact O-N 3.46Å; L357-H359 PolarHBondContact O-N 2.96Å; H359-Y361 VanDerWaalsContact C-N 3.28Å; H359-Y361 PolarHBondContact O-N 3.42Å; H359-C362 PolarHBondContact O-N 3.17Å; H359-E363 VanDerWaalsContact O-CG 3.26Å; H359-E363 WeakPolarHBondContact O-CG 3.45Å; H359-E363 PolarHBondContact O-N 2.89Å
360A93.2Very high92.2Very high0 Ų052.1 Ų52.10%026%0.255CS..Hα-helixtrans-57.5-40.2179.900000113.1L304 F323 F356 L357 C364 L367L304-A360 HydrophobicContact CD2-CB 4.25Å; F323-A360 HydrophobicContact CE2-CB 3.61Å; F323-A360 HydrophobicContact CZ-CB 3.58Å; F356-A360 WeakPolarHBondContact O-CB 3.43Å; F356-A360 PolarHBondContact O-N 3.34Å; L357-A360 PolarHBondContact O-N 3.41Å; L357-A360 VanDerWaalsContact O-N 3.17Å; A360-C364 PolarHBondContact O-N 3.06Å; A360-L367 HydrophobicContact CB-CD1 3.91Å
361Y92.7Very high91.5Very high16 Ų1652.6 Ų52.66%0.06326%0.262CS..Hα-helixtrans-73.2-32.4179.3-63.4-21.9000114.1W324 L357 N358 H359 C364 L367 Q368 H404W324-Y361 WeakPolarHBondContact CH2-OH 3.5Å; W324-Y361 HydrophobicContact CZ2-CE1 4.28Å; W324-Y361 VanDerWaalsContact CZ2-OH 3.23Å; W324-Y361 WeakPolarHBondContact CZ2-OH 3.23Å; L357-Y361 HydrophobicContact CB-CD2 4.46Å; L357-Y361 HydrophobicContact CB-CE2 3.88Å; L357-Y361 WeakPolarHBondContact O-CB 3.21Å; L357-Y361 VanDerWaalsContact O-CD2 3.23Å; L357-Y361 WeakPolarHBondContact O-CD2 3.48Å; L357-Y361 PolarHBondContact O-N 2.97Å; N358-Y361 PolarHBondContact O-N 3.02Å; H359-Y361 VanDerWaalsContact C-N 3.28Å; H359-Y361 PolarHBondContact O-N 3.42Å; Y361-C364 CarbonylContact O-C 3.2Å; Y361-L367 HydrophobicContact CD1-CB 3.97Å; Y361-L367 HydrophobicContact CE1-CB 4.16Å; Y361-Q368 HydrophobicContact CD1-CB 4.45Å; Y361-Q368 HydrophobicContact CD1-CG 3.64Å; Y361-Q368 HydrophobicContact CD2-CG 4.18Å; Y361-Q368 HydrophobicContact CE1-CG 4.31Å; Y361-Q368 HydrophobicContact CG-CG 3.58Å; Y361-H404 AromaticContact CE2-CE1 3.68Å; Y361-H404 AromaticContact CE2-ND1 3.53Å
362C90.7Very high90.8Very high102 Ų10249.8 Ų49.869%0.68927%0.265SS*.Hα-helixtrans-68.2-42.7174.3-69.20000110.6N358 H359N358-C362 WeakPolarHBondContact O-CB 3.46Å; N358-C362 PolarHBondContact O-N 2.91Å; N358-C362 PolarHBondContact O-SG 3.42Å; H359-C362 PolarHBondContact O-N 3.17Å
363E89.2Confident90.2Very high77 Ų7750.5 Ų50.536%0.3627%0.272SS..Hα-helixtrans-77.4-29.1-178.7-59.7-63.4131.100112.9N303 L304 H359N303-E363 WeakPolarHBondContact CB-OE2 3.45Å; L304-E363 HydrophobicContact CB-CB 3.75Å; L304-E363 HydrophobicContact CB-CG 4.09Å; H359-E363 VanDerWaalsContact O-CG 3.26Å; H359-E363 WeakPolarHBondContact O-CG 3.45Å; H359-E363 PolarHBondContact O-N 2.89Å
364C89.5Confident89.8Confident5 Ų550.6 Ų50.63%0.03427%0.273CS..  trans-146.798.1-177.9-168.20000111.7A360 Y361 L366 L367A360-C364 PolarHBondContact O-N 3.06Å; Y361-C364 CarbonylContact O-C 3.2Å; C364-L366 PolarHBondContact O-N 2.77Å; C364-L367 HydrophobicContact CB-CD1 3.81Å; C364-L367 HydrophobicContact CB-CG 3.87Å; C364-L367 WeakPolarHBondContact O-CB 3.38Å; C364-L367 PolarHBondContact O-N 2.87Å; C364-L367 VanDerWaalsContact O-N 3.12Å
365Q87.8Confident89.6Confident153 Ų15348.9 Ų48.972%0.71526%0.264SS*.G310 helixtrans-60.9-27.5-180-65.6-177.62.600113.1L367 Q368Q365-L367 PolarHBondContact O-N 3.24Å; Q365-L367 VanDerWaalsContact O-N 3.09Å; Q365-Q368 WeakPolarHBondContact O-CB 3.46Å; Q365-Q368 PolarHBondContact O-N 3.46Å
366L88.4Confident89.3Confident109 Ų10946.9 Ų46.957%0.57126%0.256SS*.G310 helixtrans-61.2-17.7177.7-62.6177000113.5C364C364-L366 PolarHBondContact O-N 2.77Å
367L90.7Very high89.1Confident0 Ų049.5 Ų49.50%027%0.267CS..G310 helixtrans-80.1-19.1177.9-61.1-178.1000113.3L308 V319 F323 W324 A360 Y361 C364 Q365L308-L367 HydrophobicContact CD1-CD1 3.94Å; L308-L367 HydrophobicContact CD1-CD2 4.46Å; V319-L367 HydrophobicContact CG1-CD2 3.69Å; V319-L367 HydrophobicContact CG1-CG 4.46Å; F323-L367 HydrophobicContact CB-CD1 4.37Å; F323-L367 HydrophobicContact CB-CD2 3.41Å; F323-L367 VanDerWaalsContact CB-CD2 3.41Å; F323-L367 HydrophobicContact CD1-CD1 4.24Å; F323-L367 HydrophobicContact CD1-CD2 4.03Å; F323-L367 HydrophobicContact CD2-CD1 3.7Å; F323-L367 HydrophobicContact CD2-CD2 4.33Å; F323-L367 HydrophobicContact CE1-CD1 4.5Å; F323-L367 HydrophobicContact CE2-CD1 3.99Å; F323-L367 HydrophobicContact CG-CD1 3.84Å; F323-L367 HydrophobicContact CG-CD2 3.68Å; F323-L367 HydrophobicContact CG-CG 4.32Å; F323-L367 HydrophobicContact CZ-CD1 4.38Å; W324-L367 PolarHBondContact NE1-O 3.37Å; W324-L367 VanDerWaalsContact NE1-O 3.15Å; A360-L367 HydrophobicContact CB-CD1 3.91Å; Y361-L367 HydrophobicContact CD1-CB 3.97Å; Y361-L367 HydrophobicContact CE1-CB 4.16Å; C364-L367 HydrophobicContact CB-CD1 3.81Å; C364-L367 HydrophobicContact CB-CG 3.87Å; C364-L367 WeakPolarHBondContact O-CB 3.38Å; C364-L367 PolarHBondContact O-N 2.87Å; C364-L367 VanDerWaalsContact O-N 3.12Å; Q365-L367 PolarHBondContact O-N 3.24Å; Q365-L367 VanDerWaalsContact O-N 3.09Å
368Q89.1Confident89Confident69 Ų6949.5 Ų49.532%0.32227%0.267SS..SBendtrans-67.3130.9-176.9-68.2-173.215.800110.9Y361 Q365 L370Y361-Q368 HydrophobicContact CD1-CB 4.45Å; Y361-Q368 HydrophobicContact CD1-CG 3.64Å; Y361-Q368 HydrophobicContact CD2-CG 4.18Å; Y361-Q368 HydrophobicContact CE1-CG 4.31Å; Y361-Q368 HydrophobicContact CG-CG 3.58Å; Q365-Q368 WeakPolarHBondContact O-CB 3.46Å; Q365-Q368 PolarHBondContact O-N 3.46Å; Q368-L370 HydrophobicContact CB-CD1 4.47Å; Q368-L370 HydrophobicContact CB-CG 4.15Å; Q368-L370 PolarHBondContact O-N 2.83Å
369P85.3Confident89Confident4 Ų445.5 Ų45.53%0.02625%0.246CC..  trans-72.373.2175.6-14.729.7000112.3W324 N374 H404 F405 L408W324-P369 HydrophobicContact CZ2-CG 3.77Å; P369-N374 WeakPolarHBondContact CB-OD1 3.46Å; P369-H404 HydrophobicContact CG-CB 4.39Å; P369-F405 HydrophobicContact CB-CD1 3.93Å; P369-F405 HydrophobicContact CB-CE1 3.76Å; P369-F405 HydrophobicContact CB-CG 4.46Å; P369-F405 HydrophobicContact CB-CZ 4.16Å; P369-F405 HydrophobicContact CG-CD1 4.26Å; P369-F405 HydrophobicContact CG-CD2 4.41Å; P369-F405 HydrophobicContact CG-CE1 3.81Å; P369-F405 HydrophobicContact CG-CE2 3.98Å; P369-F405 HydrophobicContact CG-CZ 3.66Å; P369-L408 WeakPolarHBondContact O-CD1 3.39Å
370L85.3Confident89Confident92 Ų9247.5 Ų47.548%0.48225%0.253SS..PPolyproline II helixtrans-84148.6177.2-64.8168.9000111.9Q368 K377Q368-L370 HydrophobicContact CB-CD1 4.47Å; Q368-L370 HydrophobicContact CB-CG 4.15Å; Q368-L370 PolarHBondContact O-N 2.83Å; L370-K377 PolarHBondContact O-NZ 3.44Å
371P81.1Confident89.1Confident57 Ų5747.5 Ų47.537%0.3725%0.253SS..SBendtrans-69.4157.4168.227.9-30.6000111.6
372P81.6Confident89.2Confident104 Ų10446.8 Ų46.868%0.67525%0.25SC*.SBendcis-81.9171.7233.6-35.8000113.7N374P372-N374 PolarHBondContact O-N 2.75Å
373G83.2Confident89.3Confident16 Ų1643 Ų4317%0.16523%0.225CC..SBendtrans78.515.5171.200000115.7H375 E376 K377 D413G373-H375 PolarHBondContact O-N 2.95Å; G373-H375 VanDerWaalsContact O-N 3.16Å; G373-E376 WeakPolarHBondContact O-CB 3.49Å; G373-E376 PolarHBondContact O-N 2.93Å; G373-K377 PolarHBondContact O-N 3.37Å; G373-D413 PolarHBondContact N-OD2 2.93Å
374N88.2Confident89.5Confident2 Ų241.1 Ų41.11%0.01122%0.215CC..Hα-helixtrans-63.8-22.9-179-155.536000113.9P369 P372 E376 K377 L378 F405 I409P369-N374 WeakPolarHBondContact CB-OD1 3.46Å; P372-N374 PolarHBondContact O-N 2.75Å; N374-E376 VanDerWaalsContact C-N 3.33Å; N374-K377 PolarHBondContact O-N 3.39Å; N374-K377 WeakPolarHBondContact OD1-CD 3.35Å; N374-L378 PolarHBondContact O-N 2.96Å; N374-F405 VanDerWaalsContact ND2-CA 3.32Å; N374-F405 WeakPolarHBondContact ND2-CA 3.12Å; N374-F405 PolarHBondContact ND2-O 2.83Å; N374-I409 HydrophobicContact CB-CG1 4.33Å
375H90.3Very high89.7Confident7 Ų741 Ų413%0.03221%0.214CC..Hα-helixtrans-65.4-36.4172.368.2-91000112G373 L378 I379 I409 D413 I414 L452G373-H375 PolarHBondContact O-N 2.95Å; G373-H375 VanDerWaalsContact O-N 3.16Å; H375-L378 PolarHBondContact O-N 3.28Å; H375-I379 WeakPolarHBondContact O-CD1 2.98Å; H375-I379 VanDerWaalsContact O-CG1 3.25Å; H375-I379 WeakPolarHBondContact O-CG1 3.36Å; H375-I379 PolarHBondContact O-N 2.93Å; H375-I409 HydrophobicContact CB-CD1 4.29Å; H375-I409 HydrophobicContact CB-CG1 4.42Å; H375-I409 HydrophobicContact CB-CG2 4.04Å; H375-D413 PolarHBondContact CE1-O 3.41Å; H375-I414 HydrophobicContact CB-CD1 4.28Å; H375-I414 HydrophobicContact CB-CG1 4.07Å; H375-L452 HydrophobicContact CB-CD1 4.35Å; H375-L452 HydrophobicContact CB-CD2 4.4Å
376E90.2Very high89.9Confident57 Ų5737.7 Ų37.727%0.26621%0.205SC..Hα-helixtrans-67.4-44.9174.9-52-166.1144.400110G373 N374 L378 I379 Y380 I423G373-E376 WeakPolarHBondContact O-CB 3.49Å; G373-E376 PolarHBondContact O-N 2.93Å; N374-E376 VanDerWaalsContact C-N 3.33Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 2.94Å; E376-I379 WeakPolarHBondContact O-CB 3.36Å; E376-I379 PolarHBondContact O-N 3.43Å; E376-I379 VanDerWaalsContact O-N 3.08Å; E376-Y380 WeakPolarHBondContact O-CD2 3.45Å; E376-Y380 PolarHBondContact O-N 3.08Å; E376-I423 HydrophobicContact CB-CD1 4.2Å; E376-I423 HydrophobicContact CB-CG1 4.45Å; E376-I423 HydrophobicContact CG-CD1 4.04Å; E376-I423 HydrophobicContact CG-CG1 4.3Å
377K91.3Very high89.7Confident55 Ų5535.1 Ų35.124%0.23920%0.2CC..Hα-helixtrans-56.2-42.8175.6-65.4174.3176.9172.80111.9F320 L370 G373 N374 Y380 L381 F405F320-K377 HydrophobicContact CE1-CB 4.12Å; F320-K377 HydrophobicContact CE1-CD 4.13Å; F320-K377 HydrophobicContact CE1-CG 3.88Å; F320-K377 HydrophobicContact CE2-CD 3.96Å; F320-K377 HydrophobicContact CZ-CB 3.91Å; F320-K377 HydrophobicContact CZ-CD 3.55Å; F320-K377 HydrophobicContact CZ-CG 3.75Å; L370-K377 PolarHBondContact O-NZ 3.44Å; G373-K377 PolarHBondContact O-N 3.37Å; N374-K377 PolarHBondContact O-N 3.39Å; N374-K377 WeakPolarHBondContact OD1-CD 3.35Å; K377-Y380 PolarHBondContact O-N 3Å; K377-L381 WeakPolarHBondContact O-CB 3.24Å; K377-L381 PolarHBondContact O-N 3.19Å; K377-F405 HydrophobicContact CB-CD1 4.49Å; K377-F405 HydrophobicContact CB-CE1 4.05Å
378L94.3Very high89.5Confident0 Ų040.2 Ų40.20%024%0.235CC..Hα-helixtrans-64.7-42.4174.9178.159.6000112.2N374 H375 E376 Y380 L381 L382 V401 F405 L406 I409 L452N374-L378 PolarHBondContact O-N 2.96Å; H375-L378 PolarHBondContact O-N 3.28Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 2.94Å; L378-Y380 VanDerWaalsContact C-N 3.34Å; L378-Y380 PolarHBondContact O-N 3.24Å; L378-L381 WeakPolarHBondContact O-CB 3.36Å; L378-L381 PolarHBondContact O-N 3.44Å; L378-L382 HydrophobicContact CD1-CD1 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.34Å; L378-L382 HydrophobicContact CG-CD1 4.29Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 3.32Å; L378-V401 HydrophobicContact CD1-CB 4.48Å; L378-V401 HydrophobicContact CD1-CG1 3.76Å; L378-V401 HydrophobicContact CD1-CG2 3.87Å; L378-V401 HydrophobicContact CD2-CG1 4.25Å; L378-F405 HydrophobicContact CB-CB 4.5Å; L378-F405 HydrophobicContact CB-CD1 4.13Å; L378-F405 HydrophobicContact CD1-CB 4.3Å; L378-F405 HydrophobicContact CD1-CG 4.37Å; L378-L406 HydrophobicContact CD2-CD2 3.62Å; L378-L406 HydrophobicContact CD2-CG 4.5Å; L378-I409 HydrophobicContact CD2-CD1 3.92Å; L378-L452 HydrophobicContact CD2-CD2 4.11Å
379I93.5Very high89.6Confident0 Ų039.2 Ų39.20%023%0.232CC..Hα-helixtrans-60.8-45176.2-70.8162.5000110.5H375 E376 L382 S383 I423 V427 L428 A431 L452 F456H375-I379 WeakPolarHBondContact O-CD1 2.98Å; H375-I379 VanDerWaalsContact O-CG1 3.25Å; H375-I379 WeakPolarHBondContact O-CG1 3.36Å; H375-I379 PolarHBondContact O-N 2.93Å; E376-I379 WeakPolarHBondContact O-CB 3.36Å; E376-I379 PolarHBondContact O-N 3.43Å; E376-I379 VanDerWaalsContact O-N 3.08Å; I379-L382 PolarHBondContact O-N 3.04Å; I379-S383 PolarHBondContact O-N 3.45Å; I379-I423 HydrophobicContact CB-CD1 4.27Å; I379-I423 HydrophobicContact CD1-CD1 3.47Å; I379-I423 VanDerWaalsContact CD1-CD1 3.47Å; I379-I423 HydrophobicContact CG1-CD1 4.47Å; I379-I423 HydrophobicContact CG2-CD1 4.11Å; I379-I423 HydrophobicContact CG2-CG2 3.97Å; I379-V427 HydrophobicContact CG2-CG1 4.03Å; I379-L428 HydrophobicContact CD1-CD1 4.18Å; I379-L428 HydrophobicContact CG2-CD1 4.13Å; I379-A431 HydrophobicContact CG2-CB 3.98Å; I379-L452 HydrophobicContact CD1-CD1 4.27Å; I379-F456 HydrophobicContact CD1-CZ 4.43Å; I379-F456 HydrophobicContact CG1-CE1 3.99Å; I379-F456 HydrophobicContact CG1-CZ 3.63Å
380Y93Very high89.9Confident72 Ų7245.3 Ų45.328%0.28226%0.264SS..Hα-helixtrans-61.5-45.9173.9-82.4-72.1000111.9E376 K377 L378 L382 S383 Y384 V427E376-Y380 WeakPolarHBondContact O-CD2 3.45Å; E376-Y380 PolarHBondContact O-N 3.08Å; K377-Y380 PolarHBondContact O-N 3Å; L378-Y380 VanDerWaalsContact C-N 3.34Å; L378-Y380 PolarHBondContact O-N 3.24Å; Y380-L382 VanDerWaalsContact C-N 3.33Å; Y380-L382 PolarHBondContact O-N 2.77Å; Y380-S383 WeakPolarHBondContact O-CB 3.41Å; Y380-S383 PolarHBondContact O-N 2.82Å; Y380-S383 PolarHBondContact O-OG 2.93Å; Y380-Y384 HydrophobicContact CD1-CE1 4.39Å; Y380-Y384 WeakPolarHBondContact O-CD1 3.29Å; Y380-Y384 WeakPolarHBondContact O-CE1 3.46Å; Y380-Y384 PolarHBondContact O-N 2.86Å; Y380-Y384 VanDerWaalsContact O-N 3.12Å; Y380-V427 HydrophobicContact CD1-CG1 3.7Å; Y380-V427 HydrophobicContact CD1-CG2 4.38Å; Y380-V427 HydrophobicContact CE1-CB 4.46Å; Y380-V427 HydrophobicContact CE1-CG1 3.81Å; Y380-V427 HydrophobicContact CE1-CG2 4.04Å; Y380-V427 HydrophobicContact CG-CG1 4.27Å
381L94.9Very high90.4Very high1 Ų141.4 Ų41.41%0.00524%0.244CC..Hα-helixtrans-55.2-46.9177.6179.160.5000112.3W324 F328 K377 L378 S383 Y384 F385 F397 V401 F405W324-L381 HydrophobicContact CE3-CD1 3.76Å; W324-L381 HydrophobicContact CE3-CD2 4.18Å; W324-L381 HydrophobicContact CZ3-CD1 4.44Å; W324-L381 HydrophobicContact CZ3-CD2 4.19Å; F328-L381 HydrophobicContact CD1-CD1 3.72Å; F328-L381 HydrophobicContact CE1-CD1 3.76Å; F328-L381 HydrophobicContact CE1-CD2 4.43Å; K377-L381 WeakPolarHBondContact O-CB 3.24Å; K377-L381 PolarHBondContact O-N 3.19Å; L378-L381 WeakPolarHBondContact O-CB 3.36Å; L378-L381 PolarHBondContact O-N 3.44Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 3.03Å; L381-Y384 HydrophobicContact CD1-CD2 4.1Å; L381-Y384 WeakPolarHBondContact O-CB 3.49Å; L381-Y384 PolarHBondContact O-N 3.32Å; L381-F385 HydrophobicContact CD1-CE2 4.41Å; L381-F385 WeakPolarHBondContact O-CD2 3.33Å; L381-F385 WeakPolarHBondContact O-CE2 3.49Å; L381-F397 HydrophobicContact CD2-CE2 4.25Å; L381-F397 HydrophobicContact CD2-CZ 4.12Å; L381-F397 HydrophobicContact CG-CE2 4.22Å; L381-F397 HydrophobicContact CG-CZ 4.15Å; L381-V401 HydrophobicContact CD2-CG2 4.4Å; L381-F405 HydrophobicContact CD2-CD2 4.21Å; L381-F405 HydrophobicContact CD2-CE1 4.37Å; L381-F405 HydrophobicContact CD2-CE2 3.59Å; L381-F405 HydrophobicContact CD2-CZ 3.69Å
382L95.2Very high91Very high0 Ų038.7 Ų38.70%023%0.227CC..Hα-helixtrans-62.5-39.5176.5-70167.9000111.7L378 I379 Y380 Y384 F385 P392 F397 A431 H434 V435 L441 F456L378-L382 HydrophobicContact CD1-CD1 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.34Å; L378-L382 HydrophobicContact CG-CD1 4.29Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 3.32Å; I379-L382 PolarHBondContact O-N 3.04Å; Y380-L382 VanDerWaalsContact C-N 3.33Å; Y380-L382 PolarHBondContact O-N 2.77Å; L382-Y384 PolarHBondContact O-N 2.9Å; L382-F385 PolarHBondContact O-N 3.44Å; L382-P392 HydrophobicContact CD2-CB 3.84Å; L382-P392 HydrophobicContact CD2-CG 4.45Å; L382-F397 HydrophobicContact CD2-CE1 3.79Å; L382-F397 HydrophobicContact CD2-CZ 3.81Å; L382-A431 HydrophobicContact CB-CB 3.71Å; L382-A431 HydrophobicContact CD1-CB 4.24Å; L382-H434 HydrophobicContact CD2-CB 4.49Å; L382-H434 PolarHBondContact O-CD2 3.28Å; L382-H434 VanDerWaalsContact O-CD2 3.29Å; L382-V435 HydrophobicContact CD1-CG2 3.76Å; L382-L441 HydrophobicContact CD2-CD2 3.81Å; L382-F456 HydrophobicContact CD1-CZ 4.05Å
383S93.3Very high91.6Very high24 Ų2434.8 Ų34.817%0.16821%0.205CC..Hα-helixtrans-68.8-17.2179.380.90000114.5I379 Y380 L381 F385I379-S383 PolarHBondContact O-N 3.45Å; Y380-S383 WeakPolarHBondContact O-CB 3.41Å; Y380-S383 PolarHBondContact O-N 2.82Å; Y380-S383 PolarHBondContact O-OG 2.93Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 3.03Å; S383-F385 PolarHBondContact O-N 2.94Å
384Y93.7Very high92.2Very high36 Ų3635.6 Ų35.614%0.14121%0.205CC..THydrogen-bonded Turntrans-71.4-14.3178.5-60-25.1000112.9D321 W324 H325 Y380 L381 L382D321-Y384 PolarHBondContact OD1-OH 2.93Å; W324-Y384 HydrophobicContact CB-CE2 3.97Å; H325-Y384 VanDerWaalsContact CA-CD2 3.45Å; H325-Y384 HydrophobicContact CB-CD1 4.16Å; H325-Y384 HydrophobicContact CB-CD2 3.88Å; H325-Y384 HydrophobicContact CB-CE1 4.08Å; H325-Y384 HydrophobicContact CB-CE2 3.82Å; H325-Y384 HydrophobicContact CB-CG 4.05Å; H325-Y384 AromaticContact CE1-CD1 3.83Å; H325-Y384 AromaticContact CG-CD1 3.87Å; H325-Y384 AromaticContact CG-CG 3.98Å; H325-Y384 WeakPolarHBondContact ND1-CB 3.16Å; H325-Y384 AromaticContact ND1-CD1 2.97Å; H325-Y384 WeakPolarHBondContact ND1-CD1 3.33Å; H325-Y384 AromaticContact ND1-CD2 3.88Å; H325-Y384 AromaticContact ND1-CE1 3.59Å; H325-Y384 AromaticContact ND1-CG 3.14Å; Y380-Y384 HydrophobicContact CD1-CE1 4.39Å; Y380-Y384 WeakPolarHBondContact O-CD1 3.29Å; Y380-Y384 WeakPolarHBondContact O-CE1 3.46Å; Y380-Y384 PolarHBondContact O-N 2.86Å; Y380-Y384 VanDerWaalsContact O-N 3.12Å; L381-Y384 HydrophobicContact CD1-CD2 4.1Å; L381-Y384 WeakPolarHBondContact O-CB 3.49Å; L381-Y384 PolarHBondContact O-N 3.32Å; L382-Y384 PolarHBondContact O-N 2.9Å
385F93.9Very high92.5Very high4 Ų441.8 Ų41.82%0.01823%0.233CC..SBendtrans-98.4134.5174.6-59.6-86.8000110.2F328 T329 I332 L381 L382 S383 N389 I391 P392 F397 H434F328-F385 HydrophobicContact CE1-CZ 4.4Å; T329-F385 HydrophobicContact CG2-CE1 4.02Å; T329-F385 HydrophobicContact CG2-CE2 4.17Å; T329-F385 HydrophobicContact CG2-CZ 3.75Å; I332-F385 HydrophobicContact CG2-CE1 4.07Å; I332-F385 HydrophobicContact CG2-CZ 3.91Å; L381-F385 HydrophobicContact CD1-CE2 4.41Å; L381-F385 WeakPolarHBondContact O-CD2 3.33Å; L381-F385 WeakPolarHBondContact O-CE2 3.49Å; L382-F385 PolarHBondContact O-N 3.44Å; S383-F385 PolarHBondContact O-N 2.94Å; F385-N389 HydrophobicContact CB-CB 4.14Å; F385-I391 HydrophobicContact CD1-CB 4.14Å; F385-I391 HydrophobicContact CD1-CD1 4.16Å; F385-I391 HydrophobicContact CD1-CG2 4.23Å; F385-I391 HydrophobicContact CE1-CB 4.05Å; F385-I391 HydrophobicContact CE1-CD1 3.93Å; F385-I391 HydrophobicContact CE1-CG2 3.66Å; F385-I391 HydrophobicContact CZ-CG2 3.97Å; F385-P392 HydrophobicContact CB-CG 4.06Å; F385-P392 HydrophobicContact CD2-CG 3.9Å; F385-P392 HydrophobicContact CG-CG 3.98Å; F385-F397 HydrophobicContact CD2-CE2 4.43Å; F385-F397 HydrophobicContact CE2-CD2 4.3Å; F385-F397 AromaticContact CE2-CE2 3.58Å; F385-F397 HydrophobicContact CE2-CE2 3.58Å; F385-F397 HydrophobicContact CE2-CZ 4.36Å; F385-F397 HydrophobicContact CZ-CD2 4.3Å; F385-F397 AromaticContact CZ-CE2 3.99Å; F385-F397 HydrophobicContact CZ-CE2 3.99Å; F385-H434 PolarHBondContact O-NE2 3.4Å
386P91.2Very high92.8Very high83 Ų8341.5 Ų41.554%0.53923%0.232SC..  trans-53146.1170.7-23.932.8000111.1S388 N389 H434P386-S388 PolarHBondContact O-N 2.98Å; P386-N389 WeakPolarHBondContact O-CB 3.35Å; P386-N389 PolarHBondContact O-N 3.03Å; P386-H434 PolarHBondContact O-CE1 3.41Å; P386-H434 PolarHBondContact O-NE2 3.26Å
387A85.1Confident93.1Very high55 Ų5538.8 Ų38.846%0.45522%0.219SC..THydrogen-bonded Turntrans-54.8-24.9-177.200000114.9N389 V433A387-N389 VanDerWaalsContact C-N 3.34Å; A387-V433 HydrophobicContact CB-CG1 3.9Å
388S86Confident93.3Very high107 Ų10737.2 Ų37.275%0.74821%0.213SC*.THydrogen-bonded Turntrans-84.4-4177.355.80000114.4P386P386-S388 PolarHBondContact O-N 2.98Å
389N90.7Very high93.4Very high47 Ų4738.5 Ų38.525%0.25122%0.222SC..  trans-83.1130.4-173.1-163.5-21.9000111.5F385 P386 A387 I391 P392 H434F385-N389 HydrophobicContact CB-CB 4.14Å; P386-N389 WeakPolarHBondContact O-CB 3.35Å; P386-N389 PolarHBondContact O-N 3.03Å; A387-N389 VanDerWaalsContact C-N 3.34Å; N389-I391 VanDerWaalsContact OD1-CG1 3.27Å; N389-I391 WeakPolarHBondContact OD1-CG1 3.15Å; N389-I391 PolarHBondContact OD1-N 3.36Å; N389-I391 VanDerWaalsContact OD1-N 3.1Å; N389-P392 WeakPolarHBondContact O-CD 3.24Å; N389-H434 PolarHBondContact O-CE1 2.9Å
390N91.7Very high93.5Very high132 Ų13238.5 Ų38.571%0.70622%0.222SC*.  trans-85.3-5.8-178.5-66.6-27.9000113.9G393 H394N390-G393 PolarHBondContact O-N 3.48Å; N390-H394 PolarHBondContact O-N 2.91Å
391I95.5Very high93.6Very high11 Ų1135.1 Ų35.16%0.05621%0.209CC..G310 helixtrans-55.3-46-178-70168.4000112.8I332 S333 V336 F385 N389 G393 H394 F397I332-I391 HydrophobicContact CD1-CG2 4.37Å; I332-I391 HydrophobicContact CG1-CG2 4.23Å; I332-I391 HydrophobicContact CG2-CG2 4.13Å; S333-I391 WeakPolarHBondContact OG-CD1 3.46Å; V336-I391 HydrophobicContact CB-CG1 4.45Å; V336-I391 HydrophobicContact CG1-CG1 4.35Å; V336-I391 HydrophobicContact CG2-CG1 4.32Å; V336-I391 HydrophobicContact CG2-CG2 4.45Å; F385-I391 HydrophobicContact CD1-CB 4.14Å; F385-I391 HydrophobicContact CD1-CD1 4.16Å; F385-I391 HydrophobicContact CD1-CG2 4.23Å; F385-I391 HydrophobicContact CE1-CB 4.05Å; F385-I391 HydrophobicContact CE1-CD1 3.93Å; F385-I391 HydrophobicContact CE1-CG2 3.66Å; F385-I391 HydrophobicContact CZ-CG2 3.97Å; N389-I391 VanDerWaalsContact OD1-CG1 3.27Å; N389-I391 WeakPolarHBondContact OD1-CG1 3.15Å; N389-I391 PolarHBondContact OD1-N 3.36Å; N389-I391 VanDerWaalsContact OD1-N 3.1Å; I391-G393 PolarHBondContact O-N 3.37Å; I391-H394 VanDerWaalsContact O-CB 3.26Å; I391-H394 WeakPolarHBondContact O-CB 3.25Å; I391-H394 PolarHBondContact O-N 2.9Å; I391-F397 HydrophobicContact CG2-CB 4.26Å; I391-F397 HydrophobicContact CG2-CD2 3.93Å; I391-F397 HydrophobicContact CG2-CG 4.4Å; I391-F397 WeakPolarHBondContact O-CB 3.48Å
392P94.7Very high93.6Very high0 Ų037 Ų370%022%0.221CC..G310 helixtrans-57.7-20.2-178.5-30.340.2000115.3L382 F385 N389 F397 H434 L441L382-P392 HydrophobicContact CD2-CB 3.84Å; L382-P392 HydrophobicContact CD2-CG 4.45Å; F385-P392 HydrophobicContact CB-CG 4.06Å; F385-P392 HydrophobicContact CD2-CG 3.9Å; F385-P392 HydrophobicContact CG-CG 3.98Å; N389-P392 WeakPolarHBondContact O-CD 3.24Å; P392-F397 VanDerWaalsContact CA-CD1 3.46Å; P392-F397 HydrophobicContact CB-CD1 4.27Å; P392-F397 HydrophobicContact CB-CE1 4.01Å; P392-F397 HydrophobicContact CB-CZ 4.32Å; P392-F397 WeakPolarHBondContact O-CD1 3.22Å; P392-H434 HydrophobicContact CB-CB 4.16Å; P392-H434 HydrophobicContact CG-CB 4.44Å; P392-L441 HydrophobicContact CB-CD2 4.15Å
393G93Very high93.5Very high22 Ų2241.4 Ų41.423%0.22724%0.242CC..G310 helixtrans-101.8-4.3179.800000113.2N390 I391 Q438N390-G393 PolarHBondContact O-N 3.48Å; I391-G393 PolarHBondContact O-N 3.37Å; G393-Q438 VanDerWaalsContact N-NE2 3.16Å
394H95.8Very high93.5Very high33 Ų3341.7 Ų41.715%0.15324%0.241CC..SBendtrans-73.9143179.3-167.2-85.5000110.7V336 N340 N390 I391 I396 F397 M398V336-H394 HydrophobicContact CG2-CB 4.18Å; N340-H394 PolarHBondContact OD1-NE2 2.89Å; N390-H394 PolarHBondContact O-N 2.91Å; I391-H394 VanDerWaalsContact O-CB 3.26Å; I391-H394 WeakPolarHBondContact O-CB 3.25Å; I391-H394 PolarHBondContact O-N 2.9Å; H394-I396 PolarHBondContact ND1-N 3.24Å; H394-I396 PolarHBondContact O-N 2.92Å; H394-I396 VanDerWaalsContact O-N 3.13Å; H394-F397 PolarHBondContact O-N 3.21Å; H394-M398 WeakPolarHBondContact O-CG 3.41Å; H394-M398 PolarHBondContact O-N 3.48Å
395E95.3Very high93.5Very high131 Ų13140 Ų4061%0.61223%0.234SC*.Hα-helixtrans-54.5-36.9-175.2-64.3-178.8176.700113.4I346 M398 S399I346-E395 HydrophobicContact CD1-CB 4.09Å; I346-E395 WeakPolarHBondContact CD1-OE2 3.49Å; E395-M398 PolarHBondContact O-N 3.49Å; E395-S399 WeakPolarHBondContact O-CB 3.36Å; E395-S399 PolarHBondContact O-N 2.97Å
396I96.4Very high93.5Very high1 Ų139.8 Ų39.81%0.00523%0.233CC..Hα-helixtrans-62.2-49.7175.4-61.5167.5000111.6I332 A335 V336 T339 I346 T349 Q350 M353 H394 M398 S399 I400I332-I396 HydrophobicContact CD1-CG2 4.46Å; I332-I396 HydrophobicContact CG1-CG2 4.41Å; A335-I396 HydrophobicContact CB-CD1 4.46Å; V336-I396 HydrophobicContact CG2-CD1 4.36Å; T339-I396 HydrophobicContact CG2-CD1 4.3Å; I346-I396 HydrophobicContact CG1-CG1 4.44Å; T349-I396 HydrophobicContact CG2-CD1 3.62Å; Q350-I396 HydrophobicContact CG-CG1 4.32Å; M353-I396 HydrophobicContact CG-CG2 3.91Å; H394-I396 PolarHBondContact ND1-N 3.24Å; H394-I396 PolarHBondContact O-N 2.92Å; H394-I396 VanDerWaalsContact O-N 3.13Å; I396-M398 VanDerWaalsContact C-N 3.31Å; I396-M398 PolarHBondContact O-N 3.47Å; I396-S399 WeakPolarHBondContact O-CB 3.35Å; I396-S399 PolarHBondContact O-N 3.38Å; I396-I400 HydrophobicContact CG2-CD1 4.08Å; I396-I400 WeakPolarHBondContact O-CD1 3.37Å; I396-I400 WeakPolarHBondContact O-CG1 3.31Å; I396-I400 PolarHBondContact O-N 3.39Å
397F97.2Very high93.6Very high0 Ų036.3 Ų36.30%021%0.211CC..Hα-helixtrans-62.7-43.6178.9-178.4-84.8000110.8F328 I332 L381 L382 F385 I391 P392 H394 S399 I400 V401F328-F397 HydrophobicContact CE1-CD2 4.37Å; F328-F397 HydrophobicContact CE1-CE2 4.17Å; I332-F397 HydrophobicContact CD1-CB 3.86Å; I332-F397 HydrophobicContact CD1-CD2 3.69Å; I332-F397 HydrophobicContact CD1-CG 4.23Å; L381-F397 HydrophobicContact CD2-CE2 4.25Å; L381-F397 HydrophobicContact CD2-CZ 4.12Å; L381-F397 HydrophobicContact CG-CE2 4.22Å; L381-F397 HydrophobicContact CG-CZ 4.15Å; L382-F397 HydrophobicContact CD2-CE1 3.79Å; L382-F397 HydrophobicContact CD2-CZ 3.81Å; F385-F397 HydrophobicContact CD2-CE2 4.43Å; F385-F397 HydrophobicContact CE2-CD2 4.3Å; F385-F397 AromaticContact CE2-CE2 3.58Å; F385-F397 HydrophobicContact CE2-CE2 3.58Å; F385-F397 HydrophobicContact CE2-CZ 4.36Å; F385-F397 HydrophobicContact CZ-CD2 4.3Å; F385-F397 AromaticContact CZ-CE2 3.99Å; F385-F397 HydrophobicContact CZ-CE2 3.99Å; I391-F397 HydrophobicContact CG2-CB 4.26Å; I391-F397 HydrophobicContact CG2-CD2 3.93Å; I391-F397 HydrophobicContact CG2-CG 4.4Å; I391-F397 WeakPolarHBondContact O-CB 3.48Å; P392-F397 VanDerWaalsContact CA-CD1 3.46Å; P392-F397 HydrophobicContact CB-CD1 4.27Å; P392-F397 HydrophobicContact CB-CE1 4.01Å; P392-F397 HydrophobicContact CB-CZ 4.32Å; P392-F397 WeakPolarHBondContact O-CD1 3.22Å; H394-F397 PolarHBondContact O-N 3.21Å; F397-S399 VanDerWaalsContact C-N 3.33Å; F397-S399 PolarHBondContact O-N 3.39Å; F397-I400 PolarHBondContact O-N 3.49Å; F397-I400 VanDerWaalsContact O-N 3.16Å; F397-V401 HydrophobicContact CD1-CG2 3.82Å; F397-V401 HydrophobicContact CE1-CB 4.46Å; F397-V401 HydrophobicContact CE1-CG2 3.36Å; F397-V401 HydrophobicContact CZ-CG2 3.74Å; F397-V401 PolarHBondContact O-N 3.26Å
398M96.2Very high94Very high23 Ų2335.5 Ų35.511%0.11320%0.198CC..Hα-helixtrans-59.3-41.9177.5-71.3-71.4-76.100112.3H394 E395 I396 I400 V401 C402 S440 L441 L444H394-M398 WeakPolarHBondContact O-CG 3.41Å; H394-M398 PolarHBondContact O-N 3.48Å; E395-M398 PolarHBondContact O-N 3.49Å; I396-M398 VanDerWaalsContact C-N 3.31Å; I396-M398 PolarHBondContact O-N 3.47Å; M398-I400 PolarHBondContact O-N 2.91Å; M398-V401 PolarHBondContact O-N 3.44Å; M398-C402 WeakPolarHBondContact O-CB 3.21Å; M398-C402 PolarHBondContact O-N 3.17Å; M398-S440 WeakPolarHBondContact CE-O 3.42Å; M398-L441 VanDerWaalsContact CE-CA 3.46Å; M398-L441 HydrophobicContact CE-CB 4.26Å; M398-L441 VanDerWaalsContact SD-CA 3.57Å; M398-L441 HydrophobicContact SD-CB 3.71Å; M398-L441 HydrophobicContact SD-CD1 3.43Å; M398-L441 WeakPolarHBondContact SD-CD1 3.32Å; M398-L441 HydrophobicContact SD-CG 4.14Å; M398-L444 HydrophobicContact CB-CD2 4.26Å; M398-L444 HydrophobicContact CE-CB 3.44Å; M398-L444 VanDerWaalsContact CE-CB 3.44Å; M398-L444 HydrophobicContact CE-CD2 3.4Å; M398-L444 VanDerWaalsContact CE-CD2 3.4Å; M398-L444 HydrophobicContact CE-CG 3.99Å; M398-L444 WeakPolarHBondContact O-CD2 3.38Å; M398-L444 HydrophobicContact SD-CB 4.5Å; M398-L444 HydrophobicContact SD-CD2 3.71Å
399S95.2Very high94.2Very high26 Ų2630.4 Ų30.418%0.18216%0.163CC..Hα-helixtrans-58.2-46.9173.5-170.70000111.7E395 I396 F397 C402 Q403E395-S399 WeakPolarHBondContact O-CB 3.36Å; E395-S399 PolarHBondContact O-N 2.97Å; I396-S399 WeakPolarHBondContact O-CB 3.35Å; I396-S399 PolarHBondContact O-N 3.38Å; F397-S399 VanDerWaalsContact C-N 3.33Å; F397-S399 PolarHBondContact O-N 3.39Å; S399-C402 WeakPolarHBondContact O-CB 3.38Å; S399-C402 PolarHBondContact O-N 3.25Å; S399-Q403 WeakPolarHBondContact O-CB 3.05Å; S399-Q403 VanDerWaalsContact O-CG 3.27Å; S399-Q403 WeakPolarHBondContact O-CG 3.28Å; S399-Q403 PolarHBondContact O-N 2.89Å; S399-Q403 PolarHBondContact OG-NE2 2.78Å
400I95.9Very high94.1Very high1 Ų128.9 Ų28.91%0.00516%0.156CC..Hα-helixtrans-64.7-45.1-179.8-68.1157.3000111.6F328 I332 M353 L357 I396 F397 M398 C402 Q403 H404F328-I400 HydrophobicContact CE2-CD1 3.97Å; F328-I400 HydrophobicContact CE2-CG2 3.96Å; F328-I400 HydrophobicContact CZ-CD1 4.06Å; F328-I400 HydrophobicContact CZ-CG2 3.93Å; I332-I400 HydrophobicContact CD1-CD1 3.65Å; M353-I400 HydrophobicContact CB-CD1 4.22Å; M353-I400 HydrophobicContact CE-CD1 3.5Å; M353-I400 VanDerWaalsContact CE-CD1 3.5Å; M353-I400 HydrophobicContact CG-CD1 4.22Å; L357-I400 HydrophobicContact CD1-CG1 4.16Å; L357-I400 HydrophobicContact CD1-CG2 3.81Å; I396-I400 HydrophobicContact CG2-CD1 4.08Å; I396-I400 WeakPolarHBondContact O-CD1 3.37Å; I396-I400 WeakPolarHBondContact O-CG1 3.31Å; I396-I400 PolarHBondContact O-N 3.39Å; F397-I400 PolarHBondContact O-N 3.49Å; F397-I400 VanDerWaalsContact O-N 3.16Å; M398-I400 PolarHBondContact O-N 2.91Å; I400-C402 VanDerWaalsContact C-N 3.33Å; I400-C402 PolarHBondContact O-N 3.46Å; I400-Q403 PolarHBondContact O-N 3.35Å; I400-H404 WeakPolarHBondContact O-CB 3.29Å; I400-H404 PolarHBondContact O-CD2 3.35Å; I400-H404 PolarHBondContact O-N 3.35Å
401V95.4Very high93.7Very high0 Ų023.8 Ų23.80%013%0.129CC..Iπ-helixtrans-64.7-39.2176.8168.70000111.3L378 L381 F397 M398 F405 L406L378-V401 HydrophobicContact CD1-CB 4.48Å; L378-V401 HydrophobicContact CD1-CG1 3.76Å; L378-V401 HydrophobicContact CD1-CG2 3.87Å; L378-V401 HydrophobicContact CD2-CG1 4.25Å; L381-V401 HydrophobicContact CD2-CG2 4.4Å; F397-V401 HydrophobicContact CD1-CG2 3.82Å; F397-V401 HydrophobicContact CE1-CB 4.46Å; F397-V401 HydrophobicContact CE1-CG2 3.36Å; F397-V401 HydrophobicContact CZ-CG2 3.74Å; F397-V401 PolarHBondContact O-N 3.26Å; M398-V401 PolarHBondContact O-N 3.44Å; V401-F405 HydrophobicContact CG1-CB 4.46Å; V401-F405 PolarHBondContact O-N 3.32Å; V401-F405 VanDerWaalsContact O-N 3.15Å; V401-L406 HydrophobicContact CG1-CD1 3.7Å; V401-L406 HydrophobicContact CG1-CD2 4.19Å; V401-L406 HydrophobicContact CG1-CG 3.6Å; V401-L406 WeakPolarHBondContact O-CG 3.17Å; V401-L406 PolarHBondContact O-N 3.32Å
402C94.9Very high93Very high40 Ų4028.7 Ų28.727%0.2716%0.155SC..Iπ-helixtrans-63.2-37.3175.4-172.70000112.8M398 S399 I400 P407 L444M398-C402 WeakPolarHBondContact O-CB 3.21Å; M398-C402 PolarHBondContact O-N 3.17Å; S399-C402 WeakPolarHBondContact O-CB 3.38Å; S399-C402 PolarHBondContact O-N 3.25Å; I400-C402 VanDerWaalsContact C-N 3.33Å; I400-C402 PolarHBondContact O-N 3.46Å; C402-P407 WeakPolarHBondContact O-CD 3.33Å; C402-P407 WeakPolarHBondContact O-CG 3.34Å; C402-L444 HydrophobicContact CB-CD1 4.12Å; C402-L444 HydrophobicContact CB-CD2 4.06Å
403Q92.9Very high92.3Very high93 Ų9331.7 Ų31.744%0.43517%0.171SC..Iπ-helixtrans-87-41.7-176.7-70.5174.4-1.200113.1D354 S399 I400D354-Q403 PolarHBondContact OD1-OE1 3.14Å; S399-Q403 WeakPolarHBondContact O-CB 3.05Å; S399-Q403 VanDerWaalsContact O-CG 3.27Å; S399-Q403 WeakPolarHBondContact O-CG 3.28Å; S399-Q403 PolarHBondContact O-N 2.89Å; S399-Q403 PolarHBondContact OG-NE2 2.78Å; I400-Q403 PolarHBondContact O-N 3.35Å
404H92.1Very high91.7Very high30 Ų3030.6 Ų30.614%0.13916%0.16CC..Iπ-helixtrans-106.5-24.9-166.7-62.2-74.3000114.6L357 Y361 P369 I400L357-H404 WeakPolarHBondContact CD1-NE2 3.41Å; Y361-H404 AromaticContact CE2-CE1 3.68Å; Y361-H404 AromaticContact CE2-ND1 3.53Å; P369-H404 HydrophobicContact CG-CB 4.39Å; I400-H404 WeakPolarHBondContact O-CB 3.29Å; I400-H404 PolarHBondContact O-CD2 3.35Å; I400-H404 PolarHBondContact O-N 3.35Å
405F93.8Very high90.6Very high0 Ų034.3 Ų34.30%018%0.177CC..Iπ-helixtrans-109.1-63.2-175.1-71.8-93.2000112.7W324 P369 N374 K377 L378 L381 V401 P407 L408W324-F405 HydrophobicContact CD2-CZ 4.08Å; W324-F405 AromaticContact CE2-CZ 3.85Å; W324-F405 HydrophobicContact CE3-CE2 4.3Å; W324-F405 HydrophobicContact CE3-CZ 4.04Å; W324-F405 AromaticContact CH2-CE2 3.36Å; W324-F405 HydrophobicContact CH2-CE2 3.36Å; W324-F405 AromaticContact CH2-CZ 3.61Å; W324-F405 HydrophobicContact CH2-CZ 3.61Å; W324-F405 AromaticContact CZ2-CE2 3.8Å; W324-F405 HydrophobicContact CZ2-CE2 3.8Å; W324-F405 AromaticContact CZ2-CZ 3.6Å; W324-F405 HydrophobicContact CZ2-CZ 3.6Å; W324-F405 AromaticContact CZ3-CE2 3.63Å; W324-F405 HydrophobicContact CZ3-CE2 3.63Å; W324-F405 AromaticContact CZ3-CZ 3.82Å; W324-F405 HydrophobicContact CZ3-CZ 3.82Å; P369-F405 HydrophobicContact CB-CD1 3.93Å; P369-F405 HydrophobicContact CB-CE1 3.76Å; P369-F405 HydrophobicContact CB-CG 4.46Å; P369-F405 HydrophobicContact CB-CZ 4.16Å; P369-F405 HydrophobicContact CG-CD1 4.26Å; P369-F405 HydrophobicContact CG-CD2 4.41Å; P369-F405 HydrophobicContact CG-CE1 3.81Å; P369-F405 HydrophobicContact CG-CE2 3.98Å; P369-F405 HydrophobicContact CG-CZ 3.66Å; N374-F405 VanDerWaalsContact ND2-CA 3.32Å; N374-F405 WeakPolarHBondContact ND2-CA 3.12Å; N374-F405 PolarHBondContact ND2-O 2.83Å; K377-F405 HydrophobicContact CB-CD1 4.49Å; K377-F405 HydrophobicContact CB-CE1 4.05Å; L378-F405 HydrophobicContact CB-CB 4.5Å; L378-F405 HydrophobicContact CB-CD1 4.13Å; L378-F405 HydrophobicContact CD1-CB 4.3Å; L378-F405 HydrophobicContact CD1-CG 4.37Å; L381-F405 HydrophobicContact CD2-CD2 4.21Å; L381-F405 HydrophobicContact CD2-CE1 4.37Å; L381-F405 HydrophobicContact CD2-CE2 3.59Å; L381-F405 HydrophobicContact CD2-CZ 3.69Å; V401-F405 HydrophobicContact CG1-CB 4.46Å; V401-F405 PolarHBondContact O-N 3.32Å; V401-F405 VanDerWaalsContact O-N 3.15Å; F405-P407 VanDerWaalsContact C-CD 3.43Å; F405-L408 PolarHBondContact O-N 3.44Å
406L94.8Very high88.8Confident0 Ų030.4 Ų30.40%016%0.164CC..G310 helixtrans-58.6-38.7-169.7-64.7175.5000115.1L378 V401 L408 I409 L444 I445 F448L378-L406 HydrophobicContact CD2-CD2 3.62Å; L378-L406 HydrophobicContact CD2-CG 4.5Å; V401-L406 HydrophobicContact CG1-CD1 3.7Å; V401-L406 HydrophobicContact CG1-CD2 4.19Å; V401-L406 HydrophobicContact CG1-CG 3.6Å; V401-L406 WeakPolarHBondContact O-CG 3.17Å; V401-L406 PolarHBondContact O-N 3.32Å; L406-L408 PolarHBondContact O-N 3.35Å; L406-L408 VanDerWaalsContact O-N 3.14Å; L406-I409 HydrophobicContact CD2-CD1 3.82Å; L406-I409 PolarHBondContact O-N 2.98Å; L406-L444 HydrophobicContact CD1-CD1 4.3Å; L406-L444 HydrophobicContact CD1-CD2 3.76Å; L406-L444 HydrophobicContact CD1-CG 3.5Å; L406-I445 HydrophobicContact CD2-CG1 4.07Å; L406-F448 HydrophobicContact CB-CB 3.85Å; L406-F448 HydrophobicContact CB-CD1 3.93Å; L406-F448 HydrophobicContact CB-CD2 3.54Å; L406-F448 HydrophobicContact CB-CE1 4.31Å; L406-F448 HydrophobicContact CB-CE2 3.94Å; L406-F448 HydrophobicContact CB-CG 3.51Å; L406-F448 HydrophobicContact CB-CZ 4.3Å; L406-F448 HydrophobicContact CD1-CD2 3.65Å; L406-F448 HydrophobicContact CD1-CE2 3.99Å; L406-F448 HydrophobicContact CD1-CG 4.4Å; L406-F448 HydrophobicContact CG-CD2 4.19Å; L406-F448 HydrophobicContact CG-CG 4.48Å
407P93.8Very high86.9Confident11 Ų1136 Ų367%0.07119%0.194CC..G310 helixtrans-64.3-19.7178.3-20.933000113.2C402 F405 F448 F552 P553 K554C402-P407 WeakPolarHBondContact O-CD 3.33Å; C402-P407 WeakPolarHBondContact O-CG 3.34Å; F405-P407 VanDerWaalsContact C-CD 3.43Å; P407-F448 HydrophobicContact CB-CE1 4.13Å; P407-F448 HydrophobicContact CG-CD1 4.47Å; P407-F448 HydrophobicContact CG-CE1 3.74Å; P407-F448 HydrophobicContact CG-CZ 4.2Å; P407-F552 WeakPolarHBondContact O-CD1 3.41Å; P407-P553 HydrophobicContact CB-CB 3.6Å; P407-P553 WeakPolarHBondContact O-CA 3.31Å; P407-K554 WeakPolarHBondContact O-CG 3.49Å; P407-K554 PolarHBondContact O-N 3.13Å
408L92.6Very high84.8Confident37 Ų3739.7 Ų39.719%0.19422%0.22CC..G310 helixtrans-103.110.4-175.1-58.3176.3000112.5P369 F405 L406 P553P369-L408 WeakPolarHBondContact O-CD1 3.39Å; F405-L408 PolarHBondContact O-N 3.44Å; L406-L408 PolarHBondContact O-N 3.35Å; L406-L408 VanDerWaalsContact O-N 3.14Å; L408-P553 HydrophobicContact CD2-CB 4.36Å
409I91.1Very high82.5Confident1 Ų145.7 Ų45.71%0.00525%0.253CS..  trans-88.9116.1178.5-65.5-179.5000110.8N374 H375 L378 L406 I414 L452 K554N374-I409 HydrophobicContact CB-CG1 4.33Å; H375-I409 HydrophobicContact CB-CD1 4.29Å; H375-I409 HydrophobicContact CB-CG1 4.42Å; H375-I409 HydrophobicContact CB-CG2 4.04Å; L378-I409 HydrophobicContact CD2-CD1 3.92Å; L406-I409 HydrophobicContact CD2-CD1 3.82Å; L406-I409 PolarHBondContact O-N 2.98Å; I409-I414 HydrophobicContact CG2-CD1 3.83Å; I409-L452 HydrophobicContact CD1-CD2 3.65Å; I409-K554 WeakPolarHBondContact O-CE 3.45Å; I409-K554 PolarHBondContact O-NZ 3.42Å
410S87Confident80.2Confident15 Ų1548.7 Ų48.711%0.10527%0.272CS..  trans-79130167.6-174.10000111D412S410-D412 PolarHBondContact O-N 3.2Å; S410-D412 PolarHBondContact OG-N 3.39Å
411D84.7Confident78.4Confident24 Ų2450 Ų5013%0.12828%0.282CS..SBendtrans-73-19.5171.1-67.1-54.2000111.9D413 S449 K451 H549 K554D411-D413 VanDerWaalsContact C-N 3.33Å; D411-S449 VanDerWaalsContact OD1-CB 3.26Å; D411-S449 WeakPolarHBondContact OD1-CB 3.42Å; D411-S449 PolarHBondContact OD1-OG 2.96Å; D411-K451 HydrophobicContact CB-CB 4.44Å; D411-K451 HydrophobicContact CB-CD 4.38Å; D411-K451 WeakPolarHBondContact O-CD 3.32Å; D411-K451 PolarHBondContact O-NZ 3.36Å; D411-H549 IonicContact OD2-CE1 3.19Å; D411-K554 IonicContact OD1-NZ 3.51Å; D411-K554 IonicContact OD2-NZ 2.66Å; D411-K554 PolarHBondContact OD2-NZ 2.74Å
412D81.1Confident77.3Confident115 Ų11559 Ų5962%0.61532%0.321SS*.SBendtrans-75-29.1-179.6-58.9-30.2000110.5S410 I414 R488S410-D412 PolarHBondContact O-N 3.2Å; S410-D412 PolarHBondContact OG-N 3.39Å; D412-I414 VanDerWaalsContact C-N 3.35Å; D412-I414 PolarHBondContact O-N 3.38Å; D412-R488 IonicContact OD1-NH2 2.7Å; D412-R488 PolarHBondContact OD1-NH2 3.43Å; D412-R488 VanDerWaalsContact OD1-NH2 3.1Å
413D78.8Confident76.6Confident62 Ų6257.6 Ų57.633%0.33231%0.311SS..SBendtrans-75.8-17.8178.6-633.9000113.9G373 H375 D411 E415G373-D413 PolarHBondContact N-OD2 2.93Å; H375-D413 PolarHBondContact CE1-O 3.41Å; D411-D413 VanDerWaalsContact C-N 3.33Å; D413-E415 PolarHBondContact O-N 3.27Å
414I80.9Confident76.2Confident0 Ų057.2 Ų57.20%031%0.312CS..  trans-86.9109.1-172.8-61.1167.2000109.1H375 I409 D412 S449 K451 L452 K455H375-I414 HydrophobicContact CB-CD1 4.28Å; H375-I414 HydrophobicContact CB-CG1 4.07Å; I409-I414 HydrophobicContact CG2-CD1 3.83Å; D412-I414 VanDerWaalsContact C-N 3.35Å; D412-I414 PolarHBondContact O-N 3.38Å; I414-S449 WeakPolarHBondContact CD1-OG 3.37Å; I414-K451 HydrophobicContact CB-CD 4.05Å; I414-K451 HydrophobicContact CB-CG 4.3Å; I414-K451 HydrophobicContact CD1-CB 4.42Å; I414-K451 HydrophobicContact CG2-CD 4.35Å; I414-K451 HydrophobicContact CG2-CG 4.12Å; I414-K451 WeakPolarHBondContact O-CE 3.47Å; I414-K451 PolarHBondContact O-NZ 3.26Å; I414-L452 HydrophobicContact CD1-CB 3.78Å; I414-L452 HydrophobicContact CD1-CD1 4.48Å; I414-K455 HydrophobicContact CG2-CD 3.95Å
415E73Confident75.8Confident110 Ų11059.7 Ų59.751%0.51433%0.332SS..  trans-82.8128.4167.7-64.6-175.9-178.300110.3D413 C420D413-E415 PolarHBondContact O-N 3.27Å; E415-C420 WeakPolarHBondContact OE2-CB 3.44Å
416C58Low75.5Confident50 Ų5064.5 Ų64.534%0.33836%0.358SS..  trans-81.1-18.5177.3-63.50000112.8S418C416-S418 PolarHBondContact O-N 3.33Å
417N55.5Low75.3Confident117 Ų11765.7 Ų65.763%0.62637%0.365SS*.  trans-78.8117.8179.2-75-12.6000110.1N419 C420N417-N419 PolarHBondContact O-N 3.43Å; N417-N419 VanDerWaalsContact O-N 3.16Å; N417-C420 PolarHBondContact O-N 3.2Å
418S52.3Low75Confident78 Ų7865.9 Ų65.955%0.54537%0.366SS..G310 helixtrans-57.1-28.3-179.552.20000114C416 C420C416-S418 PolarHBondContact O-N 3.33Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 3.43Å
419N47.8Very low74.8Confident150 Ų15067.5 Ų67.580%0.80237%0.373SS*.G310 helixtrans-70.6-15.3-175.5-73.5-1.1000115.1N417N417-N419 PolarHBondContact O-N 3.43Å; N417-N419 VanDerWaalsContact O-N 3.16Å
420C47Very low74.7Confident88 Ų8869.3 Ų69.360%0.59538%0.384SS*.G310 helixtrans-111.8-7-177.3-81.40000114.8E415 N417 S418E415-C420 WeakPolarHBondContact OE2-CB 3.44Å; N417-C420 PolarHBondContact O-N 3.2Å; S418-C420 VanDerWaalsContact C-N 3.28Å; S418-C420 PolarHBondContact O-N 3.43Å
421S59.8Low74.9Confident30 Ų3068.6 Ų68.621%0.2138%0.379CS..  trans-75.2132.4179.765.90000111.5I423S421-I423 PolarHBondContact O-N 3.07Å; S421-I423 VanDerWaalsContact O-N 3.11Å
422K70.9Confident75.2Confident187 Ų18767.5 Ų67.581%0.81337%0.373SS*.  trans-67.4-4.8173.5-68.2-179.6-179.81760113.8
423I80.2Confident75.6Confident11 Ų1163 Ų636%0.05635%0.35CS..SBendtrans-79130-175.3-51.8178000109.7E376 I379 S421 S425 V427 L428E376-I423 HydrophobicContact CB-CD1 4.2Å; E376-I423 HydrophobicContact CB-CG1 4.45Å; E376-I423 HydrophobicContact CG-CD1 4.04Å; E376-I423 HydrophobicContact CG-CG1 4.3Å; I379-I423 HydrophobicContact CB-CD1 4.27Å; I379-I423 HydrophobicContact CD1-CD1 3.47Å; I379-I423 VanDerWaalsContact CD1-CD1 3.47Å; I379-I423 HydrophobicContact CG1-CD1 4.47Å; I379-I423 HydrophobicContact CG2-CD1 4.11Å; I379-I423 HydrophobicContact CG2-CG2 3.97Å; S421-I423 PolarHBondContact O-N 3.07Å; S421-I423 VanDerWaalsContact O-N 3.11Å; I423-S425 PolarHBondContact O-N 2.98Å; I423-V427 HydrophobicContact CG2-CB 4.14Å; I423-V427 HydrophobicContact CG2-CG1 3.79Å; I423-L428 HydrophobicContact CG2-CB 4.22Å
424N85.7Confident76.2Confident85 Ų8560.2 Ų60.246%0.45534%0.335SS..  trans-58.7135.5172.5-176.4-31.4000111N426 V427 L428N424-N426 VanDerWaalsContact C-N 3.28Å; N424-N426 PolarHBondContact O-N 3.39Å; N424-N426 PolarHBondContact OD1-N 2.91Å; N424-V427 HydrophobicContact CB-CB 4.23Å; N424-V427 HydrophobicContact CB-CG2 3.96Å; N424-V427 WeakPolarHBondContact O-CB 3.42Å; N424-V427 PolarHBondContact O-N 2.81Å; N424-V427 VanDerWaalsContact O-N 3.08Å; N424-L428 PolarHBondContact O-N 3.23Å; N424-L428 VanDerWaalsContact O-N 3.1Å
425S83.9Confident76.7Confident82 Ų8260.2 Ų60.257%0.57334%0.335SS*.Hα-helixtrans-54.5-40.5179.6550000113.1I423 V427 L428 M429I423-S425 PolarHBondContact O-N 2.98Å; S425-V427 VanDerWaalsContact C-N 3.32Å; S425-V427 PolarHBondContact O-N 3.48Å; S425-L428 PolarHBondContact O-N 2.87Å; S425-M429 VanDerWaalsContact O-CB 3.31Å; S425-M429 WeakPolarHBondContact O-CB 3.34Å; S425-M429 PolarHBondContact O-N 3.45Å
426N87.4Confident77.4Confident101 Ų10155 Ų5554%0.5431%0.311SS..Hα-helixtrans-67.1-33.8179.7-68.8-16.1000112.7N424 T430N424-N426 VanDerWaalsContact C-N 3.28Å; N424-N426 PolarHBondContact O-N 3.39Å; N424-N426 PolarHBondContact OD1-N 2.91Å; N426-T430 PolarHBondContact O-N 2.87Å; N426-T430 VanDerWaalsContact O-N 3.09Å; N426-T430 PolarHBondContact O-OG1 3.42Å
427V89.2Confident78.8Confident25 Ų2557 Ų5715%0.15232%0.315CS..Hα-helixtrans-67.2-48.5176.2165.60000109.6I379 Y380 I423 N424 S425 M429 T430 A431I379-V427 HydrophobicContact CG2-CG1 4.03Å; Y380-V427 HydrophobicContact CD1-CG1 3.7Å; Y380-V427 HydrophobicContact CD1-CG2 4.38Å; Y380-V427 HydrophobicContact CE1-CB 4.46Å; Y380-V427 HydrophobicContact CE1-CG1 3.81Å; Y380-V427 HydrophobicContact CE1-CG2 4.04Å; Y380-V427 HydrophobicContact CG-CG1 4.27Å; I423-V427 HydrophobicContact CG2-CB 4.14Å; I423-V427 HydrophobicContact CG2-CG1 3.79Å; N424-V427 HydrophobicContact CB-CB 4.23Å; N424-V427 HydrophobicContact CB-CG2 3.96Å; N424-V427 WeakPolarHBondContact O-CB 3.42Å; N424-V427 PolarHBondContact O-N 2.81Å; N424-V427 VanDerWaalsContact O-N 3.08Å; S425-V427 VanDerWaalsContact C-N 3.32Å; S425-V427 PolarHBondContact O-N 3.48Å; V427-M429 VanDerWaalsContact C-N 3.34Å; V427-M429 PolarHBondContact O-N 2.89Å; V427-T430 PolarHBondContact O-N 3.42Å; V427-A431 PolarHBondContact O-N 2.97Å
428L88.4Confident80.3Confident16 Ų1652.6 Ų52.68%0.08429%0.29CS..Hα-helixtrans-63.8-39.5178.2-176.662.7000111.9I379 I423 N424 S425 A431 T432 F456 N459I379-L428 HydrophobicContact CD1-CD1 4.18Å; I379-L428 HydrophobicContact CG2-CD1 4.13Å; I423-L428 HydrophobicContact CG2-CB 4.22Å; N424-L428 PolarHBondContact O-N 3.23Å; N424-L428 VanDerWaalsContact O-N 3.1Å; S425-L428 PolarHBondContact O-N 2.87Å; L428-A431 PolarHBondContact O-N 3.03Å; L428-T432 WeakPolarHBondContact O-CB 3.29Å; L428-T432 PolarHBondContact O-N 3.03Å; L428-T432 PolarHBondContact O-OG1 3.5Å; L428-F456 HydrophobicContact CD1-CE1 4.3Å; L428-N459 WeakPolarHBondContact CD2-ND2 3.36Å; L428-N459 VanDerWaalsContact CG-ND2 3.31Å; L428-N459 WeakPolarHBondContact CG-ND2 3.49Å
429M87.5Confident81.9Confident71 Ų7151.3 Ų51.335%0.3527%0.274SS..Hα-helixtrans-59.5-50.9176.3-175.7-177.4-5800111.2S425 V427 A431 T432 V433 D462S425-M429 VanDerWaalsContact O-CB 3.31Å; S425-M429 WeakPolarHBondContact O-CB 3.34Å; S425-M429 PolarHBondContact O-N 3.45Å; V427-M429 VanDerWaalsContact C-N 3.34Å; V427-M429 PolarHBondContact O-N 2.89Å; M429-A431 PolarHBondContact O-N 3.48Å; M429-T432 WeakPolarHBondContact O-CB 3.41Å; M429-T432 PolarHBondContact O-N 3.08Å; M429-V433 WeakPolarHBondContact O-CG2 3.4Å; M429-V433 PolarHBondContact O-N 3.1Å; M429-D462 WeakPolarHBondContact CE-OD1 3.33Å; M429-D462 HydrophobicContact CG-CB 3.91Å
430T89.4Confident83.9Confident39 Ų3947.1 Ų47.124%0.23926%0.256CS..Hα-helixtrans-61.2-43.4179.1-53.70000111.8N426 V427 V433 H434N426-T430 PolarHBondContact O-N 2.87Å; N426-T430 VanDerWaalsContact O-N 3.09Å; N426-T430 PolarHBondContact O-OG1 3.42Å; V427-T430 PolarHBondContact O-N 3.42Å; T430-V433 WeakPolarHBondContact O-CB 3.49Å; T430-V433 PolarHBondContact O-N 3.27Å; T430-H434 PolarHBondContact O-CD2 2.64Å; T430-H434 VanDerWaalsContact O-CD2 3.25Å; T430-H434 PolarHBondContact O-N 3.29Å
431A91.9Very high86.1Confident0 Ų042.9 Ų42.90%023%0.228CC..Hα-helixtrans-64.2-41.2176.400000112.3I379 L382 V427 L428 M429 V433 H434 V435 F456I379-A431 HydrophobicContact CG2-CB 3.98Å; L382-A431 HydrophobicContact CB-CB 3.71Å; L382-A431 HydrophobicContact CD1-CB 4.24Å; V427-A431 PolarHBondContact O-N 2.97Å; L428-A431 PolarHBondContact O-N 3.03Å; M429-A431 PolarHBondContact O-N 3.48Å; A431-V433 VanDerWaalsContact C-N 3.32Å; A431-V433 PolarHBondContact O-N 3.13Å; A431-H434 PolarHBondContact O-N 3.48Å; A431-V435 WeakPolarHBondContact O-CG2 3.44Å; A431-V435 PolarHBondContact O-N 3.21Å; A431-V435 VanDerWaalsContact O-N 3.09Å; A431-F456 HydrophobicContact CB-CE1 3.89Å
432T89.9Confident87.7Confident0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-60.6-44.1176.9-58.50000110.8L428 M429 H434 V435 L436 F456 N459L428-T432 WeakPolarHBondContact O-CB 3.29Å; L428-T432 PolarHBondContact O-N 3.03Å; L428-T432 PolarHBondContact O-OG1 3.5Å; M429-T432 WeakPolarHBondContact O-CB 3.41Å; M429-T432 PolarHBondContact O-N 3.08Å; T432-H434 VanDerWaalsContact C-N 3.33Å; T432-H434 PolarHBondContact O-N 2.86Å; T432-V435 PolarHBondContact O-N 3.3Å; T432-L436 HydrophobicContact CG2-CD1 3.51Å; T432-L436 HydrophobicContact CG2-CG 3.91Å; T432-L436 WeakPolarHBondContact O-CB 3.47Å; T432-L436 VanDerWaalsContact O-CG 3.27Å; T432-L436 WeakPolarHBondContact O-CG 3.43Å; T432-L436 PolarHBondContact O-N 2.97Å; T432-F456 WeakPolarHBondContact CG2-O 3.19Å; T432-N459 HydrophobicContact CG2-CB 3.93Å
433V89.6Confident88.6Confident22 Ų2234 Ų3413%0.13319%0.187CC..Hα-helixtrans-55.7-47176.4166.80000111.3A387 M429 T430 A431 H437A387-V433 HydrophobicContact CB-CG1 3.9Å; M429-V433 WeakPolarHBondContact O-CG2 3.4Å; M429-V433 PolarHBondContact O-N 3.1Å; T430-V433 WeakPolarHBondContact O-CB 3.49Å; T430-V433 PolarHBondContact O-N 3.27Å; A431-V433 VanDerWaalsContact C-N 3.32Å; A431-V433 PolarHBondContact O-N 3.13Å; V433-H437 WeakPolarHBondContact CG1-ND1 3.37Å; V433-H437 WeakPolarHBondContact O-CB 3.5Å; V433-H437 PolarHBondContact O-N 2.86Å; V433-H437 PolarHBondContact O-ND1 3.35Å
434H91.4Very high89.2Confident3 Ų334.7 Ų34.71%0.01419%0.191CC..Hα-helixtrans-61.1-51.1176.9-75.7-59.9000112.5L382 F385 P386 N389 P392 T430 A431 T432 L436 H437 Q438L382-H434 HydrophobicContact CD2-CB 4.49Å; L382-H434 PolarHBondContact O-CD2 3.28Å; L382-H434 VanDerWaalsContact O-CD2 3.29Å; F385-H434 PolarHBondContact O-NE2 3.4Å; P386-H434 PolarHBondContact O-CE1 3.41Å; P386-H434 PolarHBondContact O-NE2 3.26Å; N389-H434 PolarHBondContact O-CE1 2.9Å; P392-H434 HydrophobicContact CB-CB 4.16Å; P392-H434 HydrophobicContact CG-CB 4.44Å; T430-H434 PolarHBondContact O-CD2 2.64Å; T430-H434 VanDerWaalsContact O-CD2 3.25Å; T430-H434 PolarHBondContact O-N 3.29Å; A431-H434 PolarHBondContact O-N 3.48Å; T432-H434 VanDerWaalsContact C-N 3.33Å; T432-H434 PolarHBondContact O-N 2.86Å; H434-L436 VanDerWaalsContact C-N 3.33Å; H434-L436 PolarHBondContact O-N 3.44Å; H434-H437 PolarHBondContact O-N 3.08Å; H434-Q438 WeakPolarHBondContact O-CB 3.18Å; H434-Q438 PolarHBondContact O-N 2.8Å; H434-Q438 VanDerWaalsContact O-N 3.07Å; H434-Q438 PolarHBondContact O-OE1 3.07Å
435V91.6Very high89.6Confident0 Ų030.6 Ų30.60%017%0.169CC..Hα-helixtrans-60.9-42.2-177.7174.60000111.8L382 A431 T432 Q438 L441 L442 I445 F456L382-V435 HydrophobicContact CD1-CG2 3.76Å; A431-V435 WeakPolarHBondContact O-CG2 3.44Å; A431-V435 PolarHBondContact O-N 3.21Å; A431-V435 VanDerWaalsContact O-N 3.09Å; T432-V435 PolarHBondContact O-N 3.3Å; V435-Q438 VanDerWaalsContact O-O 3.13Å; V435-L441 HydrophobicContact CG2-CD2 3.94Å; V435-L441 HydrophobicContact CG2-CG 4.22Å; V435-L442 HydrophobicContact CG1-CB 3.96Å; V435-L442 HydrophobicContact CG1-CD1 3.82Å; V435-L442 HydrophobicContact CG1-CG 4.48Å; V435-I445 HydrophobicContact CB-CD1 4.34Å; V435-I445 HydrophobicContact CG1-CD1 3.82Å; V435-I445 HydrophobicContact CG2-CD1 3.52Å; V435-F456 HydrophobicContact CB-CD2 4.44Å; V435-F456 HydrophobicContact CB-CG 4.27Å; V435-F456 HydrophobicContact CG1-CB 4.16Å; V435-F456 HydrophobicContact CG1-CD2 4.08Å; V435-F456 HydrophobicContact CG1-CG 4.14Å; V435-F456 HydrophobicContact CG2-CD1 4.25Å; V435-F456 HydrophobicContact CG2-CD2 4.07Å; V435-F456 HydrophobicContact CG2-CE1 4.17Å; V435-F456 HydrophobicContact CG2-CE2 3.97Å; V435-F456 HydrophobicContact CG2-CG 4.2Å; V435-F456 HydrophobicContact CG2-CZ 4.01Å
436L88.2Confident90Very high0 Ų026.8 Ų26.80%014%0.142CC..Hα-helixtrans-79.3-31.4-176.1-62.8-174.3000113.3T432 H434 Q438 L442 L457 W463 Y471 L475T432-L436 HydrophobicContact CG2-CD1 3.51Å; T432-L436 HydrophobicContact CG2-CG 3.91Å; T432-L436 WeakPolarHBondContact O-CB 3.47Å; T432-L436 VanDerWaalsContact O-CG 3.27Å; T432-L436 WeakPolarHBondContact O-CG 3.43Å; T432-L436 PolarHBondContact O-N 2.97Å; H434-L436 VanDerWaalsContact C-N 3.33Å; H434-L436 PolarHBondContact O-N 3.44Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; L436-L442 HydrophobicContact CD2-CD2 4.5Å; L436-L457 HydrophobicContact CD2-CD2 3.58Å; L436-L457 HydrophobicContact CD2-CG 4.21Å; L436-W463 HydrophobicContact CD1-CG 4.37Å; L436-W463 VanDerWaalsContact CD1-NE1 3.29Å; L436-Y471 VanDerWaalsContact O-CE1 3.3Å; L436-Y471 WeakPolarHBondContact O-CE1 3.4Å; L436-Y471 PolarHBondContact O-OH 3.41Å; L436-L475 HydrophobicContact CD2-CD2 4.32Å
437H86.2Confident90.2Very high93 Ų9322.8 Ų22.843%0.43112%0.121SC..Hα-helixtrans-72.1-30.4173-78.699.6000112.6V433 H434 P464V433-H437 WeakPolarHBondContact CG1-ND1 3.37Å; V433-H437 WeakPolarHBondContact O-CB 3.5Å; V433-H437 PolarHBondContact O-N 2.86Å; V433-H437 PolarHBondContact O-ND1 3.35Å; H434-H437 PolarHBondContact O-N 3.08Å; H437-P464 WeakPolarHBondContact CE1-CB 3.4Å; H437-P464 WeakPolarHBondContact CE1-CG 3.32Å; H437-P464 WeakPolarHBondContact NE2-CB 3.28Å; H437-P464 WeakPolarHBondContact NE2-CG 3.46Å
438Q88.5Confident90.4Very high23 Ų2321.8 Ų21.811%0.10711%0.114CC..  trans-106.889.1-175.4-65.9162.5-8.900110G393 H434 V435 L436 S440 L441 L442G393-Q438 VanDerWaalsContact N-NE2 3.16Å; H434-Q438 WeakPolarHBondContact O-CB 3.18Å; H434-Q438 PolarHBondContact O-N 2.8Å; H434-Q438 VanDerWaalsContact O-N 3.07Å; H434-Q438 PolarHBondContact O-OE1 3.07Å; V435-Q438 VanDerWaalsContact O-O 3.13Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; Q438-S440 PolarHBondContact O-N 2.89Å; Q438-S440 VanDerWaalsContact O-N 3.12Å; Q438-L441 HydrophobicContact CB-CB 3.92Å; Q438-L441 WeakPolarHBondContact O-CA 3.36Å; Q438-L441 WeakPolarHBondContact O-CB 3.47Å; Q438-L441 PolarHBondContact O-N 2.82Å; Q438-L442 PolarHBondContact O-N 3.32Å; Q438-L442 VanDerWaalsContact O-N 3.12Å
439Y86Confident90.5Very high51 Ų5121 Ų2120%0.211%0.11CC..Hα-helixtrans-52.4-36.6-178.3-174.5-106.7000113.9L441 L442 N443 Y471 I478 E578Y439-L441 PolarHBondContact O-N 3.41Å; Y439-L442 PolarHBondContact O-N 3.03Å; Y439-N443 WeakPolarHBondContact CD1-ND2 3.41Å; Y439-N443 WeakPolarHBondContact CE1-ND2 3.41Å; Y439-N443 VanDerWaalsContact CZ-ND2 3.26Å; Y439-N443 WeakPolarHBondContact O-CB 3.39Å; Y439-N443 PolarHBondContact O-N 3.23Å; Y439-N443 PolarHBondContact OH-ND2 3.28Å; Y439-Y471 HydrophobicContact CD2-CE2 4.33Å; Y439-I478 HydrophobicContact CD2-CD1 4.33Å; Y439-I478 HydrophobicContact CE2-CD1 3.43Å; Y439-I478 VanDerWaalsContact CE2-CD1 3.43Å; Y439-E578 WeakPolarHBondContact OH-CG 3.14Å
440S89.8Confident90.6Very high62 Ų6217.8 Ų17.843%0.43410%0.095SC..Hα-helixtrans-59.9-43.5174.750.80000112.1M398 Q438 N443 L444M398-S440 WeakPolarHBondContact CE-O 3.42Å; Q438-S440 PolarHBondContact O-N 2.89Å; Q438-S440 VanDerWaalsContact O-N 3.12Å; S440-N443 PolarHBondContact O-N 3.23Å; S440-L444 WeakPolarHBondContact O-CB 3.32Å; S440-L444 PolarHBondContact O-N 3.39Å
441L93.3Very high90.7Very high0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-64.8-46.7177178.160.2000111.7L382 P392 M398 V435 Q438 Y439 N443 L444 I445L382-L441 HydrophobicContact CD2-CD2 3.81Å; P392-L441 HydrophobicContact CB-CD2 4.15Å; M398-L441 VanDerWaalsContact CE-CA 3.46Å; M398-L441 HydrophobicContact CE-CB 4.26Å; M398-L441 VanDerWaalsContact SD-CA 3.57Å; M398-L441 HydrophobicContact SD-CB 3.71Å; M398-L441 HydrophobicContact SD-CD1 3.43Å; M398-L441 WeakPolarHBondContact SD-CD1 3.32Å; M398-L441 HydrophobicContact SD-CG 4.14Å; V435-L441 HydrophobicContact CG2-CD2 3.94Å; V435-L441 HydrophobicContact CG2-CG 4.22Å; Q438-L441 HydrophobicContact CB-CB 3.92Å; Q438-L441 WeakPolarHBondContact O-CA 3.36Å; Q438-L441 WeakPolarHBondContact O-CB 3.47Å; Q438-L441 PolarHBondContact O-N 2.82Å; Y439-L441 PolarHBondContact O-N 3.41Å; L441-N443 VanDerWaalsContact C-N 3.34Å; L441-N443 PolarHBondContact O-N 3.44Å; L441-L444 PolarHBondContact O-N 3.36Å; L441-I445 HydrophobicContact CD1-CD1 3.93Å; L441-I445 HydrophobicContact CD1-CG1 4.25Å; L441-I445 HydrophobicContact CG-CD1 3.97Å; L441-I445 WeakPolarHBondContact O-CG1 3.34Å; L441-I445 PolarHBondContact O-N 3.28Å
442L91.9Very high90.6Very high0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-56.8-48.6173.8176.660.6000111.3V435 L436 Q438 Y439 L444 I445 V446 L457 L475 I478V435-L442 HydrophobicContact CG1-CB 3.96Å; V435-L442 HydrophobicContact CG1-CD1 3.82Å; V435-L442 HydrophobicContact CG1-CG 4.48Å; L436-L442 HydrophobicContact CD2-CD2 4.5Å; Q438-L442 PolarHBondContact O-N 3.32Å; Q438-L442 VanDerWaalsContact O-N 3.12Å; Y439-L442 PolarHBondContact O-N 3.03Å; L442-L444 VanDerWaalsContact C-N 3.33Å; L442-L444 PolarHBondContact O-N 3.42Å; L442-I445 PolarHBondContact O-N 3.39Å; L442-V446 HydrophobicContact CD1-CG2 3.99Å; L442-V446 HydrophobicContact CG-CG2 4.39Å; L442-V446 WeakPolarHBondContact O-CB 3.43Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.47Å; L442-L457 HydrophobicContact CD1-CD1 4.19Å; L442-L457 HydrophobicContact CD1-CG 4.25Å; L442-L457 HydrophobicContact CD2-CD2 4.18Å; L442-L475 HydrophobicContact CD2-CD2 3.65Å; L442-I478 HydrophobicContact CD2-CD1 3.86Å; L442-I478 HydrophobicContact CD2-CG2 4.23Å; L442-I478 HydrophobicContact CG-CD1 4.42Å; L442-I478 HydrophobicContact CG-CG2 4.43Å
443N90.3Very high90.7Very high29 Ų2918.1 Ų18.116%0.1559%0.093CC..Hα-helixtrans-60.9-41.7179-85.3-16.2000112.8Y439 S440 L441 V446 N447 N577Y439-N443 WeakPolarHBondContact CD1-ND2 3.41Å; Y439-N443 WeakPolarHBondContact CE1-ND2 3.41Å; Y439-N443 VanDerWaalsContact CZ-ND2 3.26Å; Y439-N443 WeakPolarHBondContact O-CB 3.39Å; Y439-N443 PolarHBondContact O-N 3.23Å; Y439-N443 PolarHBondContact OH-ND2 3.28Å; S440-N443 PolarHBondContact O-N 3.23Å; L441-N443 VanDerWaalsContact C-N 3.34Å; L441-N443 PolarHBondContact O-N 3.44Å; N443-V446 PolarHBondContact O-N 3.37Å; N443-N447 PolarHBondContact O-N 3.16Å; N443-N447 PolarHBondContact O-OD1 2.96Å; N443-N577 VanDerWaalsContact CG-ND2 3.32Å; N443-N577 VanDerWaalsContact OD1-CB 3.28Å; N443-N577 WeakPolarHBondContact OD1-CB 3.43Å; N443-N577 PolarHBondContact OD1-ND2 3.07Å
444L93.3Very high90.6Very high26 Ų2617.7 Ų17.714%0.1369%0.09CC..Hα-helixtrans-63.4-46.3176.5-178.169.7000111.1M398 C402 L406 S440 L441 L442 V446 N447 F448M398-L444 HydrophobicContact CB-CD2 4.26Å; M398-L444 HydrophobicContact CE-CB 3.44Å; M398-L444 VanDerWaalsContact CE-CB 3.44Å; M398-L444 HydrophobicContact CE-CD2 3.4Å; M398-L444 VanDerWaalsContact CE-CD2 3.4Å; M398-L444 HydrophobicContact CE-CG 3.99Å; M398-L444 WeakPolarHBondContact O-CD2 3.38Å; M398-L444 HydrophobicContact SD-CB 4.5Å; M398-L444 HydrophobicContact SD-CD2 3.71Å; C402-L444 HydrophobicContact CB-CD1 4.12Å; C402-L444 HydrophobicContact CB-CD2 4.06Å; L406-L444 HydrophobicContact CD1-CD1 4.3Å; L406-L444 HydrophobicContact CD1-CD2 3.76Å; L406-L444 HydrophobicContact CD1-CG 3.5Å; S440-L444 WeakPolarHBondContact O-CB 3.32Å; S440-L444 PolarHBondContact O-N 3.39Å; L441-L444 PolarHBondContact O-N 3.36Å; L442-L444 VanDerWaalsContact C-N 3.33Å; L442-L444 PolarHBondContact O-N 3.42Å; L444-V446 PolarHBondContact O-N 3.31Å; L444-N447 WeakPolarHBondContact O-CB 3.23Å; L444-N447 PolarHBondContact O-N 2.75Å; L444-F448 HydrophobicContact CD1-CE2 4.08Å; L444-F448 WeakPolarHBondContact O-CD2 3.05Å
445I94.1Very high90.4Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-58.7-49.4176.6-71.4163.7000110.4L406 V435 L441 L442 N447 F448 S449 L452 F456L406-I445 HydrophobicContact CD2-CG1 4.07Å; V435-I445 HydrophobicContact CB-CD1 4.34Å; V435-I445 HydrophobicContact CG1-CD1 3.82Å; V435-I445 HydrophobicContact CG2-CD1 3.52Å; L441-I445 HydrophobicContact CD1-CD1 3.93Å; L441-I445 HydrophobicContact CD1-CG1 4.25Å; L441-I445 HydrophobicContact CG-CD1 3.97Å; L441-I445 WeakPolarHBondContact O-CG1 3.34Å; L441-I445 PolarHBondContact O-N 3.28Å; L442-I445 PolarHBondContact O-N 3.39Å; I445-N447 PolarHBondContact O-N 3.18Å; I445-F448 PolarHBondContact O-N 3.11Å; I445-S449 PolarHBondContact O-N 3.48Å; I445-L452 HydrophobicContact CG2-CB 4.05Å; I445-L452 HydrophobicContact CG2-CD2 3.93Å; I445-L452 HydrophobicContact CG2-CG 3.85Å; I445-F456 HydrophobicContact CD1-CD2 4.32Å; I445-F456 HydrophobicContact CD1-CE2 3.98Å
446V91.7Very high90.2Very high2 Ų218.1 Ų18.11%0.0129%0.092CC..Hα-helixtrans-58.1-39.6179.2171.50000110.2L442 N443 L444 F448 S449 I478 C482 R544L442-V446 HydrophobicContact CD1-CG2 3.99Å; L442-V446 HydrophobicContact CG-CG2 4.39Å; L442-V446 WeakPolarHBondContact O-CB 3.43Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.47Å; N443-V446 PolarHBondContact O-N 3.37Å; L444-V446 PolarHBondContact O-N 3.31Å; V446-F448 PolarHBondContact O-N 2.84Å; V446-S449 PolarHBondContact O-N 3.28Å; V446-I478 HydrophobicContact CG2-CG2 4.01Å; V446-C482 VanDerWaalsContact CG2-SG 3.52Å; V446-R544 VanDerWaalsContact O-CZ 3.3Å; V446-R544 PolarHBondContact O-NH1 3.23Å; V446-R544 PolarHBondContact O-NH2 3.32Å
447N91.4Very high90.1Very high17 Ų1718.1 Ų18.19%0.0919%0.092CC..Hα-helixtrans-57.7-25178.7-75-10000114.3N443 L444 I445 R544 P556 V557 N558 N577N443-N447 PolarHBondContact O-N 3.16Å; N443-N447 PolarHBondContact O-OD1 2.96Å; L444-N447 WeakPolarHBondContact O-CB 3.23Å; L444-N447 PolarHBondContact O-N 2.75Å; I445-N447 PolarHBondContact O-N 3.18Å; N447-R544 PolarHBondContact O-NH1 2.67Å; N447-P556 HydrophobicContact CB-CB 4.27Å; N447-V557 PolarHBondContact O-N 2.7Å; N447-N558 PolarHBondContact ND2-ND2 3.28Å; N447-N558 VanDerWaalsContact ND2-ND2 3.17Å; N447-N558 PolarHBondContact OD1-OD1 3.3Å; N447-N577 PolarHBondContact OD1-ND2 3.24Å
448F92.8Very high89.8Confident3 Ų315.4 Ų15.41%0.0138%0.083CC..Hα-helixtrans-105.7-33177.3-72.8-93.1000114.3L406 P407 L444 I445 V446 R544 H549 K554 P556L406-F448 HydrophobicContact CB-CB 3.85Å; L406-F448 HydrophobicContact CB-CD1 3.93Å; L406-F448 HydrophobicContact CB-CD2 3.54Å; L406-F448 HydrophobicContact CB-CE1 4.31Å; L406-F448 HydrophobicContact CB-CE2 3.94Å; L406-F448 HydrophobicContact CB-CG 3.51Å; L406-F448 HydrophobicContact CB-CZ 4.3Å; L406-F448 HydrophobicContact CD1-CD2 3.65Å; L406-F448 HydrophobicContact CD1-CE2 3.99Å; L406-F448 HydrophobicContact CD1-CG 4.4Å; L406-F448 HydrophobicContact CG-CD2 4.19Å; L406-F448 HydrophobicContact CG-CG 4.48Å; P407-F448 HydrophobicContact CB-CE1 4.13Å; P407-F448 HydrophobicContact CG-CD1 4.47Å; P407-F448 HydrophobicContact CG-CE1 3.74Å; P407-F448 HydrophobicContact CG-CZ 4.2Å; L444-F448 HydrophobicContact CD1-CE2 4.08Å; L444-F448 WeakPolarHBondContact O-CD2 3.05Å; I445-F448 PolarHBondContact O-N 3.11Å; V446-F448 PolarHBondContact O-N 2.84Å; F448-R544 VanDerWaalsContact C-NH1 3.28Å; F448-R544 PolarHBondContact O-NH1 2.72Å; F448-H549 PolarHBondContact O-NE2 3.32Å; F448-K554 HydrophobicContact CD1-CB 4.19Å; F448-K554 WeakPolarHBondContact CE1-O 3.31Å; F448-K554 PolarHBondContact O-NZ 2.93Å; F448-P556 HydrophobicContact CD2-CB 4.29Å; F448-P556 HydrophobicContact CE1-CB 4.2Å; F448-P556 HydrophobicContact CE1-CG 4.49Å; F448-P556 HydrophobicContact CE2-CB 3.81Å; F448-P556 HydrophobicContact CE2-CG 4.46Å; F448-P556 HydrophobicContact CZ-CB 3.76Å; F448-P556 HydrophobicContact CZ-CG 4.01Å
449S92.1Very high89.3Confident0 Ų016.1 Ų16.10%09%0.088CC..  trans-148.7101.3-177.61780000111.3D411 I414 I445 V446 K451 L452 G453D411-S449 VanDerWaalsContact OD1-CB 3.26Å; D411-S449 WeakPolarHBondContact OD1-CB 3.42Å; D411-S449 PolarHBondContact OD1-OG 2.96Å; I414-S449 WeakPolarHBondContact CD1-OG 3.37Å; I445-S449 PolarHBondContact O-N 3.48Å; V446-S449 PolarHBondContact O-N 3.28Å; S449-K451 PolarHBondContact O-N 2.95Å; S449-L452 PolarHBondContact O-N 3.27Å; S449-L452 VanDerWaalsContact OG-CB 3.26Å; S449-L452 WeakPolarHBondContact OG-CB 3.41Å; S449-L452 PolarHBondContact OG-N 3.34Å; S449-G453 PolarHBondContact O-N 3.02Å
450A90Very high88.5Confident3 Ų314 Ų143%0.0258%0.08CC..Hα-helixtrans-61.9-31.4170.300000112G453 L454 C482 E485A450-G453 PolarHBondContact O-N 3.42Å; A450-L454 WeakPolarHBondContact O-CB 3.33Å; A450-L454 PolarHBondContact O-N 3.03Å; A450-C482 WeakPolarHBondContact O-CB 3.27Å; A450-E485 HydrophobicContact CB-CB 3.5Å
451K89.7Confident87.2Confident47 Ų4715.1 Ų15.120%0.2048%0.078CC..Hα-helixtrans-72.4-37.3179.8-158.4177.6-173.6-163.60112.2D411 I414 S449 L454 K455D411-K451 HydrophobicContact CB-CB 4.44Å; D411-K451 HydrophobicContact CB-CD 4.38Å; D411-K451 WeakPolarHBondContact O-CD 3.32Å; D411-K451 PolarHBondContact O-NZ 3.36Å; I414-K451 HydrophobicContact CB-CD 4.05Å; I414-K451 HydrophobicContact CB-CG 4.3Å; I414-K451 HydrophobicContact CD1-CB 4.42Å; I414-K451 HydrophobicContact CG2-CD 4.35Å; I414-K451 HydrophobicContact CG2-CG 4.12Å; I414-K451 WeakPolarHBondContact O-CE 3.47Å; I414-K451 PolarHBondContact O-NZ 3.26Å; S449-K451 PolarHBondContact O-N 2.95Å; K451-L454 WeakPolarHBondContact O-CB 3.44Å; K451-L454 PolarHBondContact O-N 3.29Å; K451-K455 PolarHBondContact O-N 3.39Å
452L91.3Very high85.7Confident0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-68.2-42.2171.8-173.355.5000111.6H375 L378 I379 I409 I414 I445 S449 L454 K455 F456H375-L452 HydrophobicContact CB-CD1 4.35Å; H375-L452 HydrophobicContact CB-CD2 4.4Å; L378-L452 HydrophobicContact CD2-CD2 4.11Å; I379-L452 HydrophobicContact CD1-CD1 4.27Å; I409-L452 HydrophobicContact CD1-CD2 3.65Å; I414-L452 HydrophobicContact CD1-CB 3.78Å; I414-L452 HydrophobicContact CD1-CD1 4.48Å; I445-L452 HydrophobicContact CG2-CB 4.05Å; I445-L452 HydrophobicContact CG2-CD2 3.93Å; I445-L452 HydrophobicContact CG2-CG 3.85Å; S449-L452 PolarHBondContact O-N 3.27Å; S449-L452 VanDerWaalsContact OG-CB 3.26Å; S449-L452 WeakPolarHBondContact OG-CB 3.41Å; S449-L452 PolarHBondContact OG-N 3.34Å; L452-L454 VanDerWaalsContact C-N 3.29Å; L452-L454 PolarHBondContact O-N 3.4Å; L452-K455 WeakPolarHBondContact O-CB 3.35Å; L452-K455 PolarHBondContact O-N 3.03Å; L452-K455 VanDerWaalsContact O-N 3.12Å; L452-F456 HydrophobicContact CD1-CD2 4.16Å; L452-F456 HydrophobicContact CD1-CE2 3.67Å; L452-F456 HydrophobicContact CD1-CZ 4.24Å; L452-F456 HydrophobicContact CD2-CE2 4.17Å; L452-F456 HydrophobicContact CG-CD2 4.03Å; L452-F456 HydrophobicContact CG-CE2 3.63Å; L452-F456 VanDerWaalsContact O-CD2 3.28Å; L452-F456 WeakPolarHBondContact O-CD2 3.44Å; L452-F456 PolarHBondContact O-N 2.82Å
453G90.6Very high84.5Confident0 Ų018.2 Ų18.20%09%0.093CC..Hα-helixtrans-55.7-45.7171.300000111.7S449 A450 K455 F456 L457S449-G453 PolarHBondContact O-N 3.02Å; A450-G453 PolarHBondContact O-N 3.42Å; G453-K455 PolarHBondContact O-N 3.1Å; G453-F456 PolarHBondContact O-N 2.72Å; G453-L457 VanDerWaalsContact O-CB 3.31Å; G453-L457 WeakPolarHBondContact O-CB 3.34Å; G453-L457 WeakPolarHBondContact O-CG 3.44Å; G453-L457 PolarHBondContact O-N 2.86Å
454L87.8Confident83.2Confident13 Ų1317.9 Ų17.97%0.0689%0.092CC..Hα-helixtrans-60.2-42.6174.1-176.663.3000111.9A450 K451 L452 F456 L457 S458 L479 C482 Y483 S486A450-L454 WeakPolarHBondContact O-CB 3.33Å; A450-L454 PolarHBondContact O-N 3.03Å; K451-L454 WeakPolarHBondContact O-CB 3.44Å; K451-L454 PolarHBondContact O-N 3.29Å; L452-L454 VanDerWaalsContact C-N 3.29Å; L452-L454 PolarHBondContact O-N 3.4Å; L454-F456 PolarHBondContact O-N 3.4Å; L454-L457 CarbonylContact O-C 3.57Å; L454-L457 PolarHBondContact O-N 3.03Å; L454-S458 WeakPolarHBondContact O-CB 3.44Å; L454-S458 PolarHBondContact O-N 3.24Å; L454-S458 PolarHBondContact O-OG 2.94Å; L454-L479 HydrophobicContact CD1-CD1 3.6Å; L454-C482 HydrophobicContact CB-CB 3.97Å; L454-Y483 HydrophobicContact CD2-CD2 4.4Å; L454-S486 WeakPolarHBondContact CD2-OG 3.15Å
455K87Confident81.7Confident12 Ų1228 Ų285%0.05213%0.129CC..Hα-helixtrans-58.7-49177.9-176.5168-179.5163.80111.6I414 K451 L452 G453 S458I414-K455 HydrophobicContact CG2-CD 3.95Å; K451-K455 PolarHBondContact O-N 3.39Å; L452-K455 WeakPolarHBondContact O-CB 3.35Å; L452-K455 PolarHBondContact O-N 3.03Å; L452-K455 VanDerWaalsContact O-N 3.12Å; G453-K455 PolarHBondContact O-N 3.1Å; K455-S458 PolarHBondContact O-N 2.93Å; K455-S458 PolarHBondContact O-OG 3.42Å
456F89Confident80.3Confident0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-64.8-46.3175.7-71-60.9000112.4I379 L382 L428 A431 T432 V435 I445 L452 G453 L454 S458 N459I379-F456 HydrophobicContact CD1-CZ 4.43Å; I379-F456 HydrophobicContact CG1-CE1 3.99Å; I379-F456 HydrophobicContact CG1-CZ 3.63Å; L382-F456 HydrophobicContact CD1-CZ 4.05Å; L428-F456 HydrophobicContact CD1-CE1 4.3Å; A431-F456 HydrophobicContact CB-CE1 3.89Å; T432-F456 WeakPolarHBondContact CG2-O 3.19Å; V435-F456 HydrophobicContact CB-CD2 4.44Å; V435-F456 HydrophobicContact CB-CG 4.27Å; V435-F456 HydrophobicContact CG1-CB 4.16Å; V435-F456 HydrophobicContact CG1-CD2 4.08Å; V435-F456 HydrophobicContact CG1-CG 4.14Å; V435-F456 HydrophobicContact CG2-CD1 4.25Å; V435-F456 HydrophobicContact CG2-CD2 4.07Å; V435-F456 HydrophobicContact CG2-CE1 4.17Å; V435-F456 HydrophobicContact CG2-CE2 3.97Å; V435-F456 HydrophobicContact CG2-CG 4.2Å; V435-F456 HydrophobicContact CG2-CZ 4.01Å; I445-F456 HydrophobicContact CD1-CD2 4.32Å; I445-F456 HydrophobicContact CD1-CE2 3.98Å; L452-F456 HydrophobicContact CD1-CD2 4.16Å; L452-F456 HydrophobicContact CD1-CE2 3.67Å; L452-F456 HydrophobicContact CD1-CZ 4.24Å; L452-F456 HydrophobicContact CD2-CE2 4.17Å; L452-F456 HydrophobicContact CG-CD2 4.03Å; L452-F456 HydrophobicContact CG-CE2 3.63Å; L452-F456 VanDerWaalsContact O-CD2 3.28Å; L452-F456 WeakPolarHBondContact O-CD2 3.44Å; L452-F456 PolarHBondContact O-N 2.82Å; G453-F456 PolarHBondContact O-N 2.72Å; L454-F456 PolarHBondContact O-N 3.4Å; F456-S458 PolarHBondContact O-N 3.48Å; F456-N459 PolarHBondContact O-N 3.03Å
457L86.2Confident79.3Confident0 Ų033.9 Ų33.90%017%0.168CC..Hα-helixtrans-66.4-21.9178.5-73.9164.1000112.6L436 L442 G453 L454 N459 I460 L475 I478 L479L436-L457 HydrophobicContact CD2-CD2 3.58Å; L436-L457 HydrophobicContact CD2-CG 4.21Å; L442-L457 HydrophobicContact CD1-CD1 4.19Å; L442-L457 HydrophobicContact CD1-CG 4.25Å; L442-L457 HydrophobicContact CD2-CD2 4.18Å; G453-L457 VanDerWaalsContact O-CB 3.31Å; G453-L457 WeakPolarHBondContact O-CB 3.34Å; G453-L457 WeakPolarHBondContact O-CG 3.44Å; G453-L457 PolarHBondContact O-N 2.86Å; L454-L457 CarbonylContact O-C 3.57Å; L454-L457 PolarHBondContact O-N 3.03Å; L457-N459 VanDerWaalsContact C-N 3.32Å; L457-I460 WeakPolarHBondContact O-CD1 3.27Å; L457-I460 WeakPolarHBondContact O-CG1 3.25Å; L457-L475 HydrophobicContact CD2-CB 4.25Å; L457-L475 HydrophobicContact CD2-CD2 4.13Å; L457-I478 HydrophobicContact CD1-CB 4.19Å; L457-I478 HydrophobicContact CD1-CG2 3.6Å; L457-L479 HydrophobicContact CB-CD1 3.73Å; L457-L479 HydrophobicContact CD1-CB 4.37Å
458S78.6Confident78.6Confident36 Ų3636.8 Ų36.825%0.25219%0.19SC..Hα-helixtrans-75.9-21.5177.371.30000113.4L454 K455 F456 I460L454-S458 WeakPolarHBondContact O-CB 3.44Å; L454-S458 PolarHBondContact O-N 3.24Å; L454-S458 PolarHBondContact O-OG 2.94Å; K455-S458 PolarHBondContact O-N 2.93Å; K455-S458 PolarHBondContact O-OG 3.42Å; F456-S458 PolarHBondContact O-N 3.48Å; S458-I460 PolarHBondContact O-N 3.09Å
459N78Confident77.7Confident37 Ų3740.4 Ų40.420%0.19821%0.212CC..  trans-80.147.3172.4-103.5-0.7000112.2L428 T432 F456 L457 Q461 D462L428-N459 WeakPolarHBondContact CD2-ND2 3.36Å; L428-N459 VanDerWaalsContact CG-ND2 3.31Å; L428-N459 WeakPolarHBondContact CG-ND2 3.49Å; T432-N459 HydrophobicContact CG2-CB 3.93Å; F456-N459 PolarHBondContact O-N 3.03Å; L457-N459 VanDerWaalsContact C-N 3.32Å; N459-Q461 PolarHBondContact O-N 3.28Å; N459-Q461 VanDerWaalsContact O-N 3.16Å; N459-D462 PolarHBondContact O-N 3.13Å
460I69Low76.9Confident8 Ų842.5 Ų42.54%0.04123%0.234CC..G310 helixtrans-61.4-27.3-176.5-63-163.6000113.5L457 S458 D462 W463 F476 L479 L500 M505L457-I460 WeakPolarHBondContact O-CD1 3.27Å; L457-I460 WeakPolarHBondContact O-CG1 3.25Å; S458-I460 PolarHBondContact O-N 3.09Å; I460-D462 PolarHBondContact O-N 2.83Å; I460-D462 VanDerWaalsContact O-N 3.08Å; I460-W463 HydrophobicContact CB-CD2 4.41Å; I460-W463 HydrophobicContact CB-CZ2 4.31Å; I460-W463 HydrophobicContact CD1-CH2 4.09Å; I460-W463 HydrophobicContact CD1-CZ2 3.48Å; I460-W463 VanDerWaalsContact CD1-CZ2 3.48Å; I460-W463 HydrophobicContact CG1-CZ2 3.71Å; I460-W463 HydrophobicContact CG2-CD2 3.67Å; I460-W463 HydrophobicContact CG2-CE3 4.09Å; I460-W463 HydrophobicContact CG2-CG 4.03Å; I460-W463 HydrophobicContact CG2-CH2 4.34Å; I460-W463 HydrophobicContact CG2-CZ2 3.92Å; I460-W463 HydrophobicContact CG2-CZ3 4.4Å; I460-W463 VanDerWaalsContact O-CB 3.28Å; I460-W463 WeakPolarHBondContact O-CB 3.41Å; I460-W463 PolarHBondContact O-N 3.46Å; I460-F476 HydrophobicContact CD1-CE1 4.24Å; I460-L479 HydrophobicContact CD1-CD2 4.27Å; I460-L500 HydrophobicContact CD1-CD1 3.41Å; I460-L500 VanDerWaalsContact CD1-CD1 3.41Å; I460-L500 HydrophobicContact CD1-CD2 4.28Å; I460-L500 HydrophobicContact CG1-CD1 4.22Å; I460-M505 HydrophobicContact CG2-CE 4.23Å
461Q64.1Low76.4Confident85 Ų8544.8 Ų44.840%0.39724%0.242SC..G310 helixtrans-56.7-28.9-179.7-59.1-177.25.800112.1N459 W463 Q504 M505N459-Q461 PolarHBondContact O-N 3.28Å; N459-Q461 VanDerWaalsContact O-N 3.16Å; Q461-W463 VanDerWaalsContact C-N 3.31Å; Q461-W463 PolarHBondContact O-N 3.27Å; Q461-Q504 PolarHBondContact OE1-O 3.36Å; Q461-M505 HydrophobicContact CB-CE 4.35Å; Q461-M505 HydrophobicContact CG-CE 3.67Å; Q461-M505 HydrophobicContact CG-CG 3.76Å
462D60.9Low75.9Confident40 Ų4044.1 Ų44.121%0.21424%0.239CC..G310 helixtrans-94.417.4-178.8-56.2-37.9000112.8M429 N459 I460M429-D462 WeakPolarHBondContact CE-OD1 3.33Å; M429-D462 HydrophobicContact CG-CB 3.91Å; N459-D462 PolarHBondContact O-N 3.13Å; I460-D462 PolarHBondContact O-N 2.83Å; I460-D462 VanDerWaalsContact O-N 3.08Å
463W67Low75.2Confident25 Ų2547 Ų4710%0.09525%0.254CS..  trans-61.2132.3174.4-79.716000110.2L436 I460 Q461 R465 I467 K472 L475 F476L436-W463 HydrophobicContact CD1-CG 4.37Å; L436-W463 VanDerWaalsContact CD1-NE1 3.29Å; I460-W463 HydrophobicContact CB-CD2 4.41Å; I460-W463 HydrophobicContact CB-CZ2 4.31Å; I460-W463 HydrophobicContact CD1-CH2 4.09Å; I460-W463 HydrophobicContact CD1-CZ2 3.48Å; I460-W463 VanDerWaalsContact CD1-CZ2 3.48Å; I460-W463 HydrophobicContact CG1-CZ2 3.71Å; I460-W463 HydrophobicContact CG2-CD2 3.67Å; I460-W463 HydrophobicContact CG2-CE3 4.09Å; I460-W463 HydrophobicContact CG2-CG 4.03Å; I460-W463 HydrophobicContact CG2-CH2 4.34Å; I460-W463 HydrophobicContact CG2-CZ2 3.92Å; I460-W463 HydrophobicContact CG2-CZ3 4.4Å; I460-W463 VanDerWaalsContact O-CB 3.28Å; I460-W463 WeakPolarHBondContact O-CB 3.41Å; I460-W463 PolarHBondContact O-N 3.46Å; Q461-W463 VanDerWaalsContact C-N 3.31Å; Q461-W463 PolarHBondContact O-N 3.27Å; W463-R465 PolarHBondContact O-N 3.28Å; W463-I467 HydrophobicContact CB-CD1 4.17Å; W463-I467 HydrophobicContact CD2-CD1 4.38Å; W463-I467 HydrophobicContact CE3-CD1 4.41Å; W463-I467 HydrophobicContact CG-CD1 4.3Å; W463-K472 HydrophobicContact CE3-CG 4.27Å; W463-K472 HydrophobicContact CZ3-CB 4.01Å; W463-K472 HydrophobicContact CZ3-CD 4.31Å; W463-K472 HydrophobicContact CZ3-CG 3.85Å; W463-L475 HydrophobicContact CD2-CD1 4.39Å; W463-L475 HydrophobicContact CH2-CB 3.97Å; W463-L475 HydrophobicContact CH2-CD1 4.09Å; W463-L475 HydrophobicContact CZ2-CB 3.99Å; W463-L475 HydrophobicContact CZ2-CD1 3.89Å; W463-L475 HydrophobicContact CZ3-CD1 4.46Å; W463-F476 AromaticContact CH2-CD1 3.76Å; W463-F476 HydrophobicContact CH2-CD1 3.76Å; W463-F476 AromaticContact CH2-CE1 3.23Å; W463-F476 HydrophobicContact CH2-CE1 3.23Å; W463-F476 HydrophobicContact CH2-CE2 4.38Å; W463-F476 HydrophobicContact CH2-CG 4.5Å; W463-F476 AromaticContact CH2-CZ 3.58Å; W463-F476 HydrophobicContact CH2-CZ 3.58Å; W463-F476 HydrophobicContact CZ2-CE1 4.15Å; W463-F476 AromaticContact CZ3-CE1 3.81Å; W463-F476 HydrophobicContact CZ3-CE1 3.81Å; W463-F476 HydrophobicContact CZ3-CE2 4.41Å; W463-F476 AromaticContact CZ3-CZ 3.65Å; W463-F476 HydrophobicContact CZ3-CZ 3.65Å
464P62.6Low74.7Confident21 Ų2150.5 Ų50.514%0.13627%0.269CS..  trans-55.7127.3171.919.4-30.4000110.2H437 S466 I467H437-P464 WeakPolarHBondContact CE1-CB 3.4Å; H437-P464 WeakPolarHBondContact CE1-CG 3.32Å; H437-P464 WeakPolarHBondContact NE2-CB 3.28Å; H437-P464 WeakPolarHBondContact NE2-CG 3.46Å; P464-S466 PolarHBondContact O-N 2.95Å; P464-I467 HydrophobicContact CB-CG1 4.43Å; P464-I467 HydrophobicContact CG-CD1 3.57Å; P464-I467 HydrophobicContact CG-CG1 3.67Å; P464-I467 WeakPolarHBondContact O-CG1 3.45Å; P464-I467 PolarHBondContact O-N 3.42Å
465R62.9Low74.5Confident239 Ų23949.9 Ų49.990%0.90227%0.266SS*.THydrogen-bonded Turntrans-54.9-23.5-176.6-67.3-178.9178.1172.9-1.4113.2W463W463-R465 PolarHBondContact O-N 3.28Å
466S63.6Low74.1Confident105 Ų10549.3 Ų49.373%0.73426%0.264SS*.THydrogen-bonded Turntrans-85.76.1-17553.20000115.6P464 S468P464-S466 PolarHBondContact O-N 2.95Å; S466-S468 PolarHBondContact O-N 3.33Å
467I70.3Confident73.6Confident21 Ų2149.8 Ų49.811%0.10827%0.266CS..  trans-69.6126.4-179.9-63.6173.3000111.3W463 P464 Y471 K472 L475W463-I467 HydrophobicContact CB-CD1 4.17Å; W463-I467 HydrophobicContact CD2-CD1 4.38Å; W463-I467 HydrophobicContact CE3-CD1 4.41Å; W463-I467 HydrophobicContact CG-CD1 4.3Å; P464-I467 HydrophobicContact CB-CG1 4.43Å; P464-I467 HydrophobicContact CG-CD1 3.57Å; P464-I467 HydrophobicContact CG-CG1 3.67Å; P464-I467 WeakPolarHBondContact O-CG1 3.45Å; P464-I467 PolarHBondContact O-N 3.42Å; I467-Y471 HydrophobicContact CD1-CD1 4.39Å; I467-Y471 HydrophobicContact CG1-CD1 4.4Å; I467-Y471 HydrophobicContact CG2-CD1 3.43Å; I467-Y471 VanDerWaalsContact CG2-CD1 3.43Å; I467-Y471 HydrophobicContact CG2-CE1 4.48Å; I467-Y471 HydrophobicContact CG2-CG 3.96Å; I467-K472 HydrophobicContact CB-CG 4.26Å; I467-K472 HydrophobicContact CG2-CG 3.61Å; I467-K472 VanDerWaalsContact O-CE 3.3Å; I467-K472 WeakPolarHBondContact O-CE 3.31Å; I467-L475 HydrophobicContact CD1-CD1 4.15Å
468S76.6Confident73.5Confident78 Ų7850 Ų5055%0.54527%0.267SS..  trans-63.8148.6172.570.40000112.4S466 G470 Y471 K472S466-S468 PolarHBondContact O-N 3.33Å; S468-G470 PolarHBondContact O-N 2.96Å; S468-G470 VanDerWaalsContact O-N 3.15Å; S468-Y471 PolarHBondContact O-N 3.16Å; S468-Y471 PolarHBondContact OG-N 3.17Å; S468-K472 PolarHBondContact O-N 3.44Å
469T73.5Confident73.7Confident78 Ų7848.3 Ų48.348%0.47926%0.256SS..Hα-helixtrans-53.5-38.8179.1-49.90000112.6Y471 K472 I473T469-Y471 PolarHBondContact O-N 3.43Å; T469-K472 WeakPolarHBondContact O-CB 3.37Å; T469-K472 PolarHBondContact O-N 3.04Å; T469-I473 WeakPolarHBondContact O-CG1 3.4Å; T469-I473 PolarHBondContact O-N 3.1Å; T469-I473 VanDerWaalsContact O-N 3.12Å
470G76.4Confident73.8Confident45 Ų4546.7 Ų46.746%0.46425%0.247SC..Hα-helixtrans-62.2-39.8176.900000113.4S468 I473 K474S468-G470 PolarHBondContact O-N 2.96Å; S468-G470 VanDerWaalsContact O-N 3.15Å; G470-I473 PolarHBondContact O-N 3.31Å; G470-K474 PolarHBondContact O-N 3.47Å
471Y80.1Confident74.3Confident50 Ų5046.6 Ų46.620%0.19625%0.247CC..Hα-helixtrans-72.7-34.2176.8-168.2-92.6000112L436 Y439 I467 S468 T469 I473 K474 L475L436-Y471 VanDerWaalsContact O-CE1 3.3Å; L436-Y471 WeakPolarHBondContact O-CE1 3.4Å; L436-Y471 PolarHBondContact O-OH 3.41Å; Y439-Y471 HydrophobicContact CD2-CE2 4.33Å; I467-Y471 HydrophobicContact CD1-CD1 4.39Å; I467-Y471 HydrophobicContact CG1-CD1 4.4Å; I467-Y471 HydrophobicContact CG2-CD1 3.43Å; I467-Y471 VanDerWaalsContact CG2-CD1 3.43Å; I467-Y471 HydrophobicContact CG2-CE1 4.48Å; I467-Y471 HydrophobicContact CG2-CG 3.96Å; S468-Y471 PolarHBondContact O-N 3.16Å; S468-Y471 PolarHBondContact OG-N 3.17Å; T469-Y471 PolarHBondContact O-N 3.43Å; Y471-I473 VanDerWaalsContact C-N 3.32Å; Y471-I473 PolarHBondContact O-N 3.3Å; Y471-K474 WeakPolarHBondContact O-CB 3.39Å; Y471-K474 PolarHBondContact O-N 2.92Å; Y471-K474 VanDerWaalsContact O-N 3.15Å; Y471-L475 HydrophobicContact CD1-CD1 3.88Å; Y471-L475 HydrophobicContact CD1-CG 3.99Å; Y471-L475 HydrophobicContact CE1-CD1 3.77Å; Y471-L475 HydrophobicContact CE1-CD2 3.98Å; Y471-L475 HydrophobicContact CE1-CG 3.88Å; Y471-L475 PolarHBondContact O-N 3.38Å
472K77.9Confident75.3Confident33 Ų3342.5 Ų42.514%0.14323%0.228CC..Hα-helixtrans-57.3-45.4171.7-64.1-176.6-178.1172.20111.5W463 I467 S468 T469 K474 L475 F476W463-K472 HydrophobicContact CE3-CG 4.27Å; W463-K472 HydrophobicContact CZ3-CB 4.01Å; W463-K472 HydrophobicContact CZ3-CD 4.31Å; W463-K472 HydrophobicContact CZ3-CG 3.85Å; I467-K472 HydrophobicContact CB-CG 4.26Å; I467-K472 HydrophobicContact CG2-CG 3.61Å; I467-K472 VanDerWaalsContact O-CE 3.3Å; I467-K472 WeakPolarHBondContact O-CE 3.31Å; S468-K472 PolarHBondContact O-N 3.44Å; T469-K472 WeakPolarHBondContact O-CB 3.37Å; T469-K472 PolarHBondContact O-N 3.04Å; K472-K474 VanDerWaalsContact C-N 3.31Å; K472-K474 PolarHBondContact O-N 3.4Å; K472-L475 PolarHBondContact O-N 3.03Å; K472-L475 VanDerWaalsContact O-N 3.17Å; K472-F476 HydrophobicContact CB-CD2 4.43Å; K472-F476 HydrophobicContact CB-CE2 3.92Å; K472-F476 HydrophobicContact CB-CZ 4.48Å; K472-F476 WeakPolarHBondContact O-CD2 3.24Å; K472-F476 VanDerWaalsContact O-CG 3.29Å; K472-F476 WeakPolarHBondContact O-CG 3.19Å; K472-F476 PolarHBondContact O-N 3.19Å
473I77.2Confident76.4Confident62 Ų6243 Ų4332%0.31823%0.227SC..Hα-helixtrans-59.9-41.7176.7-65.5166.9000111.1T469 G470 Y471 L475 F476 N477T469-I473 WeakPolarHBondContact O-CG1 3.4Å; T469-I473 PolarHBondContact O-N 3.1Å; T469-I473 VanDerWaalsContact O-N 3.12Å; G470-I473 PolarHBondContact O-N 3.31Å; Y471-I473 VanDerWaalsContact C-N 3.32Å; Y471-I473 PolarHBondContact O-N 3.3Å; I473-L475 PolarHBondContact O-N 2.88Å; I473-F476 PolarHBondContact O-N 3.35Å; I473-N477 PolarHBondContact O-N 2.92Å
474K80.1Confident77.1Confident72 Ų7241.9 Ų41.931%0.31322%0.223SC..Hα-helixtrans-60.1-44.8174.9-68.1-169.5179.4-152.10112.1G470 Y471 K472 N477 I478 E578 L580G470-K474 PolarHBondContact O-N 3.47Å; Y471-K474 WeakPolarHBondContact O-CB 3.39Å; Y471-K474 PolarHBondContact O-N 2.92Å; Y471-K474 VanDerWaalsContact O-N 3.15Å; K472-K474 VanDerWaalsContact C-N 3.31Å; K472-K474 PolarHBondContact O-N 3.4Å; K474-N477 PolarHBondContact O-N 3.23Å; K474-I478 PolarHBondContact O-N 2.97Å; K474-I478 VanDerWaalsContact O-N 3.15Å; K474-E578 WeakPolarHBondContact CE-OE1 3.37Å; K474-E578 IonicContact NZ-OE1 3.55Å; K474-E578 PolarHBondContact NZ-OE1 3.1Å; K474-L580 HydrophobicContact CG-CD1 4.24Å
475L82.8Confident78.1Confident1 Ų141.1 Ų41.11%0.00522%0.218CC..Hα-helixtrans-64.4-40.3177.1-66.1179.8000112.1L436 L442 L457 W463 I467 Y471 K472 I473 I478 L479L436-L475 HydrophobicContact CD2-CD2 4.32Å; L442-L475 HydrophobicContact CD2-CD2 3.65Å; L457-L475 HydrophobicContact CD2-CB 4.25Å; L457-L475 HydrophobicContact CD2-CD2 4.13Å; W463-L475 HydrophobicContact CD2-CD1 4.39Å; W463-L475 HydrophobicContact CH2-CB 3.97Å; W463-L475 HydrophobicContact CH2-CD1 4.09Å; W463-L475 HydrophobicContact CZ2-CB 3.99Å; W463-L475 HydrophobicContact CZ2-CD1 3.89Å; W463-L475 HydrophobicContact CZ3-CD1 4.46Å; I467-L475 HydrophobicContact CD1-CD1 4.15Å; Y471-L475 HydrophobicContact CD1-CD1 3.88Å; Y471-L475 HydrophobicContact CD1-CG 3.99Å; Y471-L475 HydrophobicContact CE1-CD1 3.77Å; Y471-L475 HydrophobicContact CE1-CD2 3.98Å; Y471-L475 HydrophobicContact CE1-CG 3.88Å; Y471-L475 PolarHBondContact O-N 3.38Å; K472-L475 PolarHBondContact O-N 3.03Å; K472-L475 VanDerWaalsContact O-N 3.17Å; I473-L475 PolarHBondContact O-N 2.88Å; L475-I478 PolarHBondContact O-N 3.22Å; L475-L479 WeakPolarHBondContact O-CB 3.44Å; L475-L479 PolarHBondContact O-N 3.47Å
476F79.4Confident79.1Confident0 Ų031 Ų310%018%0.184CC..Hα-helixtrans-62.8-41.7175.9-65.5-44.2000112.1I460 W463 K472 I473 I478 L479 I480 I516 V517 W520I460-F476 HydrophobicContact CD1-CE1 4.24Å; W463-F476 AromaticContact CH2-CD1 3.76Å; W463-F476 HydrophobicContact CH2-CD1 3.76Å; W463-F476 AromaticContact CH2-CE1 3.23Å; W463-F476 HydrophobicContact CH2-CE1 3.23Å; W463-F476 HydrophobicContact CH2-CE2 4.38Å; W463-F476 HydrophobicContact CH2-CG 4.5Å; W463-F476 AromaticContact CH2-CZ 3.58Å; W463-F476 HydrophobicContact CH2-CZ 3.58Å; W463-F476 HydrophobicContact CZ2-CE1 4.15Å; W463-F476 AromaticContact CZ3-CE1 3.81Å; W463-F476 HydrophobicContact CZ3-CE1 3.81Å; W463-F476 HydrophobicContact CZ3-CE2 4.41Å; W463-F476 AromaticContact CZ3-CZ 3.65Å; W463-F476 HydrophobicContact CZ3-CZ 3.65Å; K472-F476 HydrophobicContact CB-CD2 4.43Å; K472-F476 HydrophobicContact CB-CE2 3.92Å; K472-F476 HydrophobicContact CB-CZ 4.48Å; K472-F476 WeakPolarHBondContact O-CD2 3.24Å; K472-F476 VanDerWaalsContact O-CG 3.29Å; K472-F476 WeakPolarHBondContact O-CG 3.19Å; K472-F476 PolarHBondContact O-N 3.19Å; I473-F476 PolarHBondContact O-N 3.35Å; F476-I478 VanDerWaalsContact C-N 3.33Å; F476-I478 PolarHBondContact O-N 3.16Å; F476-L479 WeakPolarHBondContact O-CB 3.45Å; F476-L479 PolarHBondContact O-N 3.13Å; F476-L479 VanDerWaalsContact O-N 3.14Å; F476-I480 PolarHBondContact O-N 3.22Å; F476-I480 VanDerWaalsContact O-N 3.13Å; F476-I516 HydrophobicContact CE2-CG2 4.14Å; F476-V517 HydrophobicContact CD1-CG2 4.27Å; F476-V517 HydrophobicContact CE1-CG2 3.42Å; F476-V517 VanDerWaalsContact CE1-CG2 3.42Å; F476-V517 HydrophobicContact CE2-CG2 3.93Å; F476-V517 HydrophobicContact CZ-CG2 3.23Å; F476-W520 HydrophobicContact CB-CD2 3.8Å; F476-W520 HydrophobicContact CB-CE3 3.85Å; F476-W520 HydrophobicContact CB-CH2 3.51Å; F476-W520 HydrophobicContact CB-CZ2 3.49Å; F476-W520 VanDerWaalsContact CB-CZ2 3.49Å; F476-W520 HydrophobicContact CB-CZ3 3.71Å; F476-W520 HydrophobicContact CD2-CD2 4.41Å; F476-W520 HydrophobicContact CG-CD2 4.35Å; F476-W520 HydrophobicContact CG-CE3 4.27Å; F476-W520 HydrophobicContact CG-CZ3 4.41Å; F476-W520 WeakPolarHBondContact O-CH2 3.48Å
477N78.9Confident79.8Confident9 Ų927.7 Ų27.75%0.04816%0.161CC..Hα-helixtrans-58.2-44.5174-75.4-19.1000111.9I473 K474 L479 A481 W520 Y579I473-N477 PolarHBondContact O-N 2.92Å; K474-N477 PolarHBondContact O-N 3.23Å; N477-L479 VanDerWaalsContact C-N 3.34Å; N477-A481 PolarHBondContact O-N 2.53Å; N477-W520 VanDerWaalsContact OD1-CZ2 3.28Å; N477-W520 WeakPolarHBondContact OD1-CZ2 3.42Å; N477-W520 PolarHBondContact OD1-NE1 2.9Å; N477-Y579 PolarHBondContact ND2-O 3.19Å
478I84.1Confident79.7Confident4 Ų430.4 Ų30.42%0.02117%0.17CC..Hα-helixtrans-68.2-34.8176.5-63.4178.5000111.3Y439 L442 V446 L457 K474 L475 F476 A481 C482Y439-I478 HydrophobicContact CD2-CD1 4.33Å; Y439-I478 HydrophobicContact CE2-CD1 3.43Å; Y439-I478 VanDerWaalsContact CE2-CD1 3.43Å; L442-I478 HydrophobicContact CD2-CD1 3.86Å; L442-I478 HydrophobicContact CD2-CG2 4.23Å; L442-I478 HydrophobicContact CG-CD1 4.42Å; L442-I478 HydrophobicContact CG-CG2 4.43Å; V446-I478 HydrophobicContact CG2-CG2 4.01Å; L457-I478 HydrophobicContact CD1-CB 4.19Å; L457-I478 HydrophobicContact CD1-CG2 3.6Å; K474-I478 PolarHBondContact O-N 2.97Å; K474-I478 VanDerWaalsContact O-N 3.15Å; L475-I478 PolarHBondContact O-N 3.22Å; F476-I478 VanDerWaalsContact C-N 3.33Å; F476-I478 PolarHBondContact O-N 3.16Å; I478-A481 WeakPolarHBondContact O-CB 3.38Å; I478-A481 PolarHBondContact O-N 3.08Å; I478-C482 WeakPolarHBondContact O-CB 3.46Å; I478-C482 PolarHBondContact O-N 2.95Å; I478-C482 PolarHBondContact O-SG 3.21Å
479L83.3Confident79.3Confident2 Ų234.9 Ų34.91%0.0118%0.176CC..Hα-helixtrans-59.2-49.5177.4174.871.8000111.4L454 L457 I460 L475 F476 N477 A481 C482 Y483 I496 I499 L500L454-L479 HydrophobicContact CD1-CD1 3.6Å; L457-L479 HydrophobicContact CB-CD1 3.73Å; L457-L479 HydrophobicContact CD1-CB 4.37Å; I460-L479 HydrophobicContact CD1-CD2 4.27Å; L475-L479 WeakPolarHBondContact O-CB 3.44Å; L475-L479 PolarHBondContact O-N 3.47Å; F476-L479 WeakPolarHBondContact O-CB 3.45Å; F476-L479 PolarHBondContact O-N 3.13Å; F476-L479 VanDerWaalsContact O-N 3.14Å; N477-L479 VanDerWaalsContact C-N 3.34Å; L479-A481 VanDerWaalsContact C-N 3.32Å; L479-A481 PolarHBondContact O-N 3.35Å; L479-C482 PolarHBondContact O-N 2.76Å; L479-Y483 WeakPolarHBondContact O-CB 3.37Å; L479-Y483 PolarHBondContact O-N 3.22Å; L479-I496 HydrophobicContact CD2-CD1 3.96Å; L479-I499 HydrophobicContact CD1-CG2 4.41Å; L479-I499 HydrophobicContact CD2-CG2 4.28Å; L479-I499 HydrophobicContact CG-CG2 4.16Å; L479-L500 HydrophobicContact CD1-CD2 3.77Å; L479-L500 HydrophobicContact CD2-CD1 3.83Å; L479-L500 HydrophobicContact CD2-CD2 4Å; L479-L500 HydrophobicContact CD2-CG 3.97Å
480I78.5Confident78.7Confident3 Ų334.2 Ų34.22%0.01517%0.171CC..Hα-helixtrans-63-42176.5-74.6179.8000110.7F476 C482 Y483 V484 V492 I499 W520 L521 W524F476-I480 PolarHBondContact O-N 3.22Å; F476-I480 VanDerWaalsContact O-N 3.13Å; I480-C482 PolarHBondContact O-N 2.62Å; I480-Y483 PolarHBondContact O-N 3.4Å; I480-V484 HydrophobicContact CG2-CG2 4.14Å; I480-V484 WeakPolarHBondContact O-CG2 3.26Å; I480-V484 PolarHBondContact O-N 3.15Å; I480-V492 HydrophobicContact CD1-CG1 4.35Å; I480-V492 HydrophobicContact CG2-CG1 4.27Å; I480-V492 HydrophobicContact CG2-CG2 3.98Å; I480-I499 HydrophobicContact CG1-CD1 4.47Å; I480-W520 HydrophobicContact CB-CH2 4.38Å; I480-W520 HydrophobicContact CD1-CH2 3.09Å; I480-W520 HydrophobicContact CD1-CZ2 3.97Å; I480-W520 HydrophobicContact CD1-CZ3 3.54Å; I480-W520 HydrophobicContact CG1-CH2 3.56Å; I480-W520 HydrophobicContact CG1-CZ3 4.08Å; I480-L521 HydrophobicContact CD1-CD1 3.72Å; I480-W524 HydrophobicContact CB-CZ2 4.49Å; I480-W524 HydrophobicContact CD1-CD2 3.53Å; I480-W524 HydrophobicContact CD1-CE3 3.62Å; I480-W524 HydrophobicContact CD1-CG 3.95Å; I480-W524 HydrophobicContact CD1-CH2 4.45Å; I480-W524 HydrophobicContact CD1-CZ2 4.38Å; I480-W524 HydrophobicContact CD1-CZ3 4.06Å; I480-W524 HydrophobicContact CG2-CE3 4.45Å; I480-W524 HydrophobicContact CG2-CH2 3.45Å; I480-W524 VanDerWaalsContact CG2-CH2 3.45Å; I480-W524 HydrophobicContact CG2-CZ2 3.5Å; I480-W524 VanDerWaalsContact CG2-CZ2 3.5Å; I480-W524 HydrophobicContact CG2-CZ3 3.93Å
481A80.1Confident78.5Confident5 Ų540.6 Ų40.64%0.04119%0.186CC..Hα-helixtrans-56.8-50.2176.800000112.1N477 I478 L479 Y483 V484 E485 Y579N477-A481 PolarHBondContact O-N 2.53Å; I478-A481 WeakPolarHBondContact O-CB 3.38Å; I478-A481 PolarHBondContact O-N 3.08Å; L479-A481 VanDerWaalsContact C-N 3.32Å; L479-A481 PolarHBondContact O-N 3.35Å; A481-Y483 VanDerWaalsContact C-N 3.32Å; A481-Y483 PolarHBondContact O-N 3.33Å; A481-V484 PolarHBondContact O-N 3Å; A481-E485 VanDerWaalsContact O-CB 3.31Å; A481-E485 WeakPolarHBondContact O-CB 3.27Å; A481-E485 WeakPolarHBondContact O-CG 3.26Å; A481-E485 PolarHBondContact O-N 3.24Å; A481-Y579 HydrophobicContact CB-CD2 3.71Å; A481-Y579 HydrophobicContact CB-CE2 3.03Å; A481-Y579 VanDerWaalsContact CB-CZ 3.48Å
482C86Confident78Confident0 Ų039.2 Ų39.20%018%0.183CC..Hα-helixtrans-61.1-42.9177.5-69.70000110.9V446 A450 L454 I478 L479 I480 S486V446-C482 VanDerWaalsContact CG2-SG 3.52Å; A450-C482 WeakPolarHBondContact O-CB 3.27Å; L454-C482 HydrophobicContact CB-CB 3.97Å; I478-C482 WeakPolarHBondContact O-CB 3.46Å; I478-C482 PolarHBondContact O-N 2.95Å; I478-C482 PolarHBondContact O-SG 3.21Å; L479-C482 PolarHBondContact O-N 2.76Å; I480-C482 PolarHBondContact O-N 2.62Å; C482-S486 WeakPolarHBondContact O-CA 3.25Å; C482-S486 WeakPolarHBondContact O-CB 3.49Å; C482-S486 PolarHBondContact O-N 3.48Å; C482-S486 PolarHBondContact O-OG 3.14Å
483Y84.2Confident77.7Confident49 Ų4938.3 Ų38.319%0.19218%0.181CC..Hα-helixtrans-59.7-50.1176.1-180-87.3000112.3L454 L479 I480 A481 S486 S487 P493 I499L454-Y483 HydrophobicContact CD2-CD2 4.4Å; L479-Y483 WeakPolarHBondContact O-CB 3.37Å; L479-Y483 PolarHBondContact O-N 3.22Å; I480-Y483 PolarHBondContact O-N 3.4Å; A481-Y483 VanDerWaalsContact C-N 3.32Å; A481-Y483 PolarHBondContact O-N 3.33Å; Y483-S486 WeakPolarHBondContact CA-OG 3.05Å; Y483-S486 PolarHBondContact O-N 3.3Å; Y483-S486 PolarHBondContact O-OG 3.29Å; Y483-S487 VanDerWaalsContact O-CB 3.27Å; Y483-S487 WeakPolarHBondContact O-CB 3.33Å; Y483-S487 PolarHBondContact O-N 3.1Å; Y483-S487 PolarHBondContact O-OG 2.61Å; Y483-P493 HydrophobicContact CE1-CG 3.79Å; Y483-P493 HydrophobicContact CE2-CG 4.41Å; Y483-P493 WeakPolarHBondContact OH-CG 3.36Å; Y483-I499 HydrophobicContact CD2-CB 4.2Å; Y483-I499 HydrophobicContact CD2-CG1 4.22Å; Y483-I499 HydrophobicContact CD2-CG2 3.76Å; Y483-I499 HydrophobicContact CE2-CB 4.41Å; Y483-I499 HydrophobicContact CE2-CG1 4.23Å; Y483-I499 HydrophobicContact CE2-CG2 4.46Å; Y483-I499 HydrophobicContact CG-CG1 4.37Å; Y483-I499 HydrophobicContact CG-CG2 4.02Å
484V81.1Confident77.4Confident3 Ų346 Ų462%0.01821%0.206CC..Hα-helixtrans-65.7-45.5-179.5175.30000111.9I480 A481 S486 S487 R488 Y489 V492 V537I480-V484 HydrophobicContact CG2-CG2 4.14Å; I480-V484 WeakPolarHBondContact O-CG2 3.26Å; I480-V484 PolarHBondContact O-N 3.15Å; A481-V484 PolarHBondContact O-N 3Å; V484-S486 VanDerWaalsContact C-N 3.35Å; V484-S486 PolarHBondContact O-N 3.37Å; V484-S487 PolarHBondContact O-OG 2.81Å; V484-R488 PolarHBondContact O-N 3.03Å; V484-Y489 WeakPolarHBondContact CG1-O 3.36Å; V484-V492 HydrophobicContact CG2-CG2 3.37Å; V484-V537 HydrophobicContact CB-CG1 4.38Å; V484-V537 HydrophobicContact CG1-CG1 3.3Å
485E84.3Confident76.9Confident5 Ų545.8 Ų45.82%0.02321%0.208CC..Hα-helixtrans-66.3-36.8178.6-73.7-176.3-145.700112.1A450 A481 R540 R544 Y579A450-E485 HydrophobicContact CB-CB 3.5Å; A481-E485 VanDerWaalsContact O-CB 3.31Å; A481-E485 WeakPolarHBondContact O-CB 3.27Å; A481-E485 WeakPolarHBondContact O-CG 3.26Å; A481-E485 PolarHBondContact O-N 3.24Å; E485-R540 HydrophobicContact CG-CB 4.44Å; E485-R540 IonicContact OE1-CZ 2.73Å; E485-R540 IonicContact OE1-NE 3.39Å; E485-R540 PolarHBondContact OE1-NE 2.99Å; E485-R540 IonicContact OE1-NH2 3.51Å; E485-R540 PolarHBondContact OE1-NH2 2.9Å; E485-R540 IonicContact OE2-NE 2.8Å; E485-R540 IonicContact OE2-NH2 2.64Å; E485-R544 IonicContact OE2-CZ 2.73Å; E485-R544 IonicContact OE2-NE 3.17Å; E485-R544 PolarHBondContact OE2-NE 3.09Å; E485-R544 IonicContact OE2-NH2 3.01Å; E485-R544 PolarHBondContact OE2-NH2 3.43Å; E485-Y579 PolarHBondContact OE1-OH 2.78Å
486S83.3Confident76.1Confident27 Ų2745.8 Ų45.819%0.18921%0.208CC..Hα-helixtrans-76.1-43.8-178.6660000113.2L454 C482 Y483 V484 R488L454-S486 WeakPolarHBondContact CD2-OG 3.15Å; C482-S486 WeakPolarHBondContact O-CA 3.25Å; C482-S486 WeakPolarHBondContact O-CB 3.49Å; C482-S486 PolarHBondContact O-N 3.48Å; C482-S486 PolarHBondContact O-OG 3.14Å; Y483-S486 WeakPolarHBondContact CA-OG 3.05Å; Y483-S486 PolarHBondContact O-N 3.3Å; Y483-S486 PolarHBondContact O-OG 3.29Å; V484-S486 VanDerWaalsContact C-N 3.35Å; V484-S486 PolarHBondContact O-N 3.37Å; S486-R488 PolarHBondContact O-N 3.28Å
487S77.9Confident75.5Confident35 Ų3549.5 Ų49.525%0.24523%0.231CC..Hα-helixtrans-65.4-17.5175.963.40000112.2Y483 V484 Y489Y483-S487 VanDerWaalsContact O-CB 3.27Å; Y483-S487 WeakPolarHBondContact O-CB 3.33Å; Y483-S487 PolarHBondContact O-N 3.1Å; Y483-S487 PolarHBondContact O-OG 2.61Å; V484-S487 PolarHBondContact O-OG 2.81Å; S487-Y489 WeakPolarHBondContact O-CD2 3.49Å; S487-Y489 WeakPolarHBondContact O-CE2 3.28Å; S487-Y489 PolarHBondContact O-N 2.84Å; S487-Y489 VanDerWaalsContact O-N 3.1Å; S487-Y489 PolarHBondContact OG-N 3.32Å; S487-Y489 PolarHBondContact OG-O 3.21Å
488R68.4Low74.9Confident78 Ų7855.1 Ų55.129%0.29426%0.256SS..THydrogen-bonded Turntrans57.416.9-172-51.7177.3-179.6165.75.5111.6D412 V484 S486 R545D412-R488 IonicContact OD1-NH2 2.7Å; D412-R488 PolarHBondContact OD1-NH2 3.43Å; D412-R488 VanDerWaalsContact OD1-NH2 3.1Å; V484-R488 PolarHBondContact O-N 3.03Å; S486-R488 PolarHBondContact O-N 3.28Å; R488-R545 PolarHBondContact O-NH2 2.93Å
489Y67.8Low74.1Confident172 Ų17255.6 Ų55.668%0.67526%0.259SS*.  trans-121.2139.8175.5-64.8-72.2000109.5V484 S487 K491V484-Y489 WeakPolarHBondContact CG1-O 3.36Å; S487-Y489 WeakPolarHBondContact O-CD2 3.49Å; S487-Y489 WeakPolarHBondContact O-CE2 3.28Å; S487-Y489 PolarHBondContact O-N 2.84Å; S487-Y489 VanDerWaalsContact O-N 3.1Å; S487-Y489 PolarHBondContact OG-N 3.32Å; S487-Y489 PolarHBondContact OG-O 3.21Å; Y489-K491 VanDerWaalsContact C-N 3.26Å; Y489-K491 PolarHBondContact O-N 2.95Å
490T62.1Low73.2Confident63 Ų6355.7 Ų55.739%0.38726%0.26SS..SBendtrans-78.1-7.3-178.348.10000113.8W534T490-W534 VanDerWaalsContact O-CH2 3.3Å; T490-W534 WeakPolarHBondContact O-CH2 3.42Å; T490-W534 WeakPolarHBondContact O-CZ3 3.49Å
491K70.3Confident72.2Confident179 Ų17959.6 Ų59.678%0.77829%0.287SS*.PPolyproline II helixtrans-79.8122.8-179.5-69.8-172.9178.7-178.40110.2Y489Y489-K491 VanDerWaalsContact C-N 3.26Å; Y489-K491 PolarHBondContact O-N 2.95Å
492V70.4Confident70.8Confident22 Ų2260.9 Ų60.913%0.13329%0.293CS..PPolyproline II helixtrans-94.7127.9171.5-177.50000108.8I480 V484 I499 W524 L525I480-V492 HydrophobicContact CD1-CG1 4.35Å; I480-V492 HydrophobicContact CG2-CG1 4.27Å; I480-V492 HydrophobicContact CG2-CG2 3.98Å; V484-V492 HydrophobicContact CG2-CG2 3.37Å; V492-I499 HydrophobicContact CG1-CD1 4.07Å; V492-W524 HydrophobicContact CB-CH2 4.43Å; V492-W524 HydrophobicContact CB-CZ3 3.85Å; V492-W524 HydrophobicContact CG1-CE3 4.46Å; V492-W524 HydrophobicContact CG1-CZ3 3.84Å; V492-W524 HydrophobicContact CG2-CH2 3.66Å; V492-W524 HydrophobicContact CG2-CZ3 3.58Å; V492-L525 HydrophobicContact CB-CD2 4.27Å; V492-L525 HydrophobicContact CG1-CD2 4.3Å
493P72Confident68.9Low13 Ų1372.3 Ų72.38%0.08434%0.336CS..PPolyproline II helixtrans-51.2146.5170.9-32.938.3000113.5Y483 N495 E498 I499Y483-P493 HydrophobicContact CE1-CG 3.79Å; Y483-P493 HydrophobicContact CE2-CG 4.41Å; Y483-P493 WeakPolarHBondContact OH-CG 3.36Å; P493-N495 VanDerWaalsContact C-N 3.27Å; P493-E498 HydrophobicContact CB-CB 3.62Å; P493-E498 HydrophobicContact CB-CG 4.44Å; P493-E498 WeakPolarHBondContact CB-OE2 3.26Å; P493-E498 HydrophobicContact CG-CB 3.96Å; P493-I499 HydrophobicContact CB-CD1 4.28Å; P493-I499 HydrophobicContact CB-CG1 3.88Å; P493-I499 HydrophobicContact CG-CD1 4.4Å; P493-I499 HydrophobicContact CG-CG1 3.73Å
494R70Confident67Low224 Ų22477.5 Ų77.585%0.84536%0.362SS*.SBendtrans-75.4-19.8174.8-71.3-174.9178177.4-1113L521R494-L521 WeakPolarHBondContact O-CD2 3.47Å
495N69.7Low65.1Low67 Ų6779.1 Ų79.136%0.35837%0.37SS..SBendtrans-120131.5-176-166.7-23.2000109.5P493 T497 E498P493-N495 VanDerWaalsContact C-N 3.27Å; N495-T497 PolarHBondContact ND2-OG1 3.35Å; N495-T497 VanDerWaalsContact ND2-OG1 3.16Å; N495-T497 PolarHBondContact O-N 3.15Å; N495-T497 PolarHBondContact OD1-N 3.09Å; N495-T497 VanDerWaalsContact OD1-N 3.11Å; N495-T497 PolarHBondContact OD1-OG1 3.36Å; N495-E498 HydrophobicContact CB-CG 4.41Å; N495-E498 WeakPolarHBondContact O-CB 3.37Å; N495-E498 PolarHBondContact O-N 3.1Å; N495-E498 VanDerWaalsContact O-N 3.1Å
496I67Low63.4Low2 Ų281.8 Ų81.81%0.0140%0.398CS..Hα-helixtrans-64.8-23.6178.6-163.2148.9000112.2L479 E498 I499 L500 L502 V517 L521L479-I496 HydrophobicContact CD2-CD1 3.96Å; I496-E498 PolarHBondContact O-N 2.99Å; I496-I499 HydrophobicContact CG1-CB 4.27Å; I496-I499 CarbonylContact O-C 3.6Å; I496-I499 WeakPolarHBondContact O-CA 3.15Å; I496-I499 WeakPolarHBondContact O-CB 3.33Å; I496-I499 PolarHBondContact O-N 3.45Å; I496-L500 HydrophobicContact CD1-CD1 3.65Å; I496-L500 HydrophobicContact CD1-CG 4.28Å; I496-L500 HydrophobicContact CG1-CB 4.37Å; I496-L500 HydrophobicContact CG1-CD1 3.73Å; I496-L500 HydrophobicContact CG1-CG 3.97Å; I496-L500 PolarHBondContact O-N 2.75Å; I496-L502 HydrophobicContact CG2-CD1 3.82Å; I496-V517 HydrophobicContact CB-CG1 3.76Å; I496-V517 HydrophobicContact CD1-CB 4.48Å; I496-V517 HydrophobicContact CD1-CG1 3.11Å; I496-V517 HydrophobicContact CG1-CG1 3.87Å; I496-V517 HydrophobicContact CG2-CG1 3.61Å; I496-L521 HydrophobicContact CB-CD2 4.15Å
497T65.8Low61.6Low77 Ų7785.7 Ų85.747%0.47243%0.425SS..Hα-helixtrans-65.5-17.6176.856.50000113.3N495 L500 L502N495-T497 PolarHBondContact ND2-OG1 3.35Å; N495-T497 VanDerWaalsContact ND2-OG1 3.16Å; N495-T497 PolarHBondContact O-N 3.15Å; N495-T497 PolarHBondContact OD1-N 3.09Å; N495-T497 VanDerWaalsContact OD1-N 3.11Å; N495-T497 PolarHBondContact OD1-OG1 3.36Å; T497-L500 CarbonylContact C-O 3.58Å; T497-L500 VanDerWaalsContact CA-O 3.3Å; T497-L500 WeakPolarHBondContact CA-O 3.41Å; T497-L502 HydrophobicContact CG2-CD1 4.37Å
498E66.8Low60.2Low127 Ų12790.6 Ų90.659%0.59345%0.448SS*.Hα-helixtrans-83.6-20.6170.5-66.2173.7-149.700112.4P493 N495 I496P493-E498 HydrophobicContact CB-CB 3.62Å; P493-E498 HydrophobicContact CB-CG 4.44Å; P493-E498 WeakPolarHBondContact CB-OE2 3.26Å; P493-E498 HydrophobicContact CG-CB 3.96Å; N495-E498 HydrophobicContact CB-CG 4.41Å; N495-E498 WeakPolarHBondContact O-CB 3.37Å; N495-E498 PolarHBondContact O-N 3.1Å; N495-E498 VanDerWaalsContact O-N 3.1Å; I496-E498 PolarHBondContact O-N 2.99Å
499I66.9Low59.3Low14 Ų1493.1 Ų93.17%0.07246%0.463CS..Hα-helixtrans-92-36.7177.4-59.4174.4000110.7L479 I480 Y483 V492 P493 I496L479-I499 HydrophobicContact CD1-CG2 4.41Å; L479-I499 HydrophobicContact CD2-CG2 4.28Å; L479-I499 HydrophobicContact CG-CG2 4.16Å; I480-I499 HydrophobicContact CG1-CD1 4.47Å; Y483-I499 HydrophobicContact CD2-CB 4.2Å; Y483-I499 HydrophobicContact CD2-CG1 4.22Å; Y483-I499 HydrophobicContact CD2-CG2 3.76Å; Y483-I499 HydrophobicContact CE2-CB 4.41Å; Y483-I499 HydrophobicContact CE2-CG1 4.23Å; Y483-I499 HydrophobicContact CE2-CG2 4.46Å; Y483-I499 HydrophobicContact CG-CG1 4.37Å; Y483-I499 HydrophobicContact CG-CG2 4.02Å; V492-I499 HydrophobicContact CG1-CD1 4.07Å; P493-I499 HydrophobicContact CB-CD1 4.28Å; P493-I499 HydrophobicContact CB-CG1 3.88Å; P493-I499 HydrophobicContact CG-CD1 4.4Å; P493-I499 HydrophobicContact CG-CG1 3.73Å; I496-I499 HydrophobicContact CG1-CB 4.27Å; I496-I499 CarbonylContact O-C 3.6Å; I496-I499 WeakPolarHBondContact O-CA 3.15Å; I496-I499 WeakPolarHBondContact O-CB 3.33Å; I496-I499 PolarHBondContact O-N 3.45Å
500L64.9Low58.6Low5 Ų586.4 Ų86.43%0.02644%0.441CS..SBendtrans-126.5121-177.6-64.3178.3000108.9I460 L479 I496 T497 L502I460-L500 HydrophobicContact CD1-CD1 3.41Å; I460-L500 VanDerWaalsContact CD1-CD1 3.41Å; I460-L500 HydrophobicContact CD1-CD2 4.28Å; I460-L500 HydrophobicContact CG1-CD1 4.22Å; L479-L500 HydrophobicContact CD1-CD2 3.77Å; L479-L500 HydrophobicContact CD2-CD1 3.83Å; L479-L500 HydrophobicContact CD2-CD2 4Å; L479-L500 HydrophobicContact CD2-CG 3.97Å; I496-L500 HydrophobicContact CD1-CD1 3.65Å; I496-L500 HydrophobicContact CD1-CG 4.28Å; I496-L500 HydrophobicContact CG1-CB 4.37Å; I496-L500 HydrophobicContact CG1-CD1 3.73Å; I496-L500 HydrophobicContact CG1-CG 3.97Å; I496-L500 PolarHBondContact O-N 2.75Å; T497-L500 CarbonylContact C-O 3.58Å; T497-L500 VanDerWaalsContact CA-O 3.3Å; T497-L500 WeakPolarHBondContact CA-O 3.41Å; L500-L502 HydrophobicContact CB-CD1 4.18Å; L500-L502 HydrophobicContact CB-CD2 4.24Å; L500-L502 HydrophobicContact CB-CG 3.74Å; L500-L502 HydrophobicContact CD1-CD1 4.37Å; L500-L502 HydrophobicContact CD1-CD2 4.17Å; L500-L502 HydrophobicContact CD1-CG 4.33Å; L500-L502 PolarHBondContact O-N 2.84Å
501S57.9Low58.4Low85 Ų8586.5 Ų86.559%0.59444%0.444SS*.  trans-70.575.9167.645.70000110.5R503S501-R503 PolarHBondContact O-N 3.24Å
502L51.2Low58Low31 Ų3184.7 Ų84.716%0.16243%0.434CS..  trans-72.817.3-176.1-73164.9000114.6I496 T497 L500 Q504 M505I496-L502 HydrophobicContact CG2-CD1 3.82Å; T497-L502 HydrophobicContact CG2-CD1 4.37Å; L500-L502 HydrophobicContact CB-CD1 4.18Å; L500-L502 HydrophobicContact CB-CD2 4.24Å; L500-L502 HydrophobicContact CB-CG 3.74Å; L500-L502 HydrophobicContact CD1-CD1 4.37Å; L500-L502 HydrophobicContact CD1-CD2 4.17Å; L500-L502 HydrophobicContact CD1-CG 4.33Å; L500-L502 PolarHBondContact O-N 2.84Å; L502-Q504 PolarHBondContact O-N 3.08Å; L502-M505 HydrophobicContact CD2-CE 4.25Å
503R45.2Very low57.6Low241 Ų24185.1 Ų85.191%0.90944%0.435SS*.THydrogen-bonded Turntrans-705.5-166.5-74.1-167.6-177.2-174.12116.5S501S501-R503 PolarHBondContact O-N 3.24Å
504Q43.3Very low57.4Low157 Ų15786.7 Ų86.773%0.73444%0.443SS*.THydrogen-bonded Turntrans-133.524.4-175.7-70.9-173.8-9.700115.4Q461 L502Q461-Q504 PolarHBondContact OE1-O 3.36Å; L502-Q504 PolarHBondContact O-N 3.08Å
505M42.3Very low57.4Low38 Ų3880.5 Ų80.519%0.18743%0.426CS..  trans-80.1121.5167.2-76.2-166.5176.300110.4I460 Q461 L502 L513I460-M505 HydrophobicContact CG2-CE 4.23Å; Q461-M505 HydrophobicContact CB-CE 4.35Å; Q461-M505 HydrophobicContact CG-CE 3.67Å; Q461-M505 HydrophobicContact CG-CG 3.76Å; L502-M505 HydrophobicContact CD2-CE 4.25Å; M505-L513 HydrophobicContact CE-CD1 4.03Å; M505-L513 HydrophobicContact SD-CD1 4.49Å
506G47.4Very low57.5Low60 Ų6078.8 Ų78.862%0.61942%0.417SS*.  trans-52145165.900000111.6D508G506-D508 VanDerWaalsContact C-N 3.3Å; G506-D508 PolarHBondContact O-N 3.4Å
507C45.6Very low57.8Low109 Ų10979.1 Ų79.174%0.73642%0.419SS*.Hα-helixtrans-53.5-32.3-156.3-66.20000116.4S510C507-S510 PolarHBondContact O-OG 3.1Å
508D49.4Very low58.2Low138 Ų13878.5 Ų78.574%0.73841%0.413SS*.Hα-helixtrans-83.9-26.7-166.6-63.8-19.3000115G506G506-D508 VanDerWaalsContact C-N 3.3Å; G506-D508 PolarHBondContact O-N 3.4Å
509H50Low58.6Low131 Ų13177.3 Ų77.361%0.60641%0.41SS*.Hα-helixtrans-95.5-15.4-177.4-68.718.6000113.2S511H509-S511 VanDerWaalsContact C-N 3.3Å; H509-S511 PolarHBondContact O-N 3.01Å
510S53Low59.1Low32 Ų3278 Ų7822%0.22441%0.412CS..Hα-helixtrans-59.7-40.7178.870.60000111.4C507 N514C507-S510 PolarHBondContact O-OG 3.1Å; S510-N514 WeakPolarHBondContact O-CB 3.46Å; S510-N514 PolarHBondContact O-N 3.47Å; S510-N514 PolarHBondContact O-ND2 3.06Å
511S57.4Low59.7Low64 Ų6477.9 Ų77.945%0.44841%0.412SS..Hα-helixtrans-67.5-47.3-172.262.10000113.5H509 N514 N515H509-S511 VanDerWaalsContact C-N 3.3Å; H509-S511 PolarHBondContact O-N 3.01Å; S511-N514 PolarHBondContact O-N 3.17Å; S511-N515 WeakPolarHBondContact O-CB 3.24Å; S511-N515 PolarHBondContact O-N 3.01Å; S511-N515 PolarHBondContact O-ND2 3.31Å; S511-N515 PolarHBondContact O-OD1 3.32Å
512Y61.1Low60.5Low141 Ų14177 Ų7755%0.55341%0.405SS*.Hα-helixtrans-70.3-46.4-175.8-178.9-102.1000112.9N515 I516Y512-N515 PolarHBondContact O-N 2.94Å; Y512-I516 HydrophobicContact CD1-CD1 3.95Å; Y512-I516 HydrophobicContact CE1-CD1 3.3Å; Y512-I516 HydrophobicContact CE1-CG1 4.41Å; Y512-I516 HydrophobicContact CE2-CD1 4.05Å; Y512-I516 PolarHBondContact O-N 3.03Å; Y512-I516 VanDerWaalsContact O-N 3.09Å
513L63.2Low61.7Low32 Ų3280.9 Ų80.917%0.16843%0.426CS..Hα-helixtrans-64.1-43.4174.3-79.7171.1000110.4M505 N515 I516 V517M505-L513 HydrophobicContact CE-CD1 4.03Å; M505-L513 HydrophobicContact SD-CD1 4.49Å; L513-N515 VanDerWaalsContact C-N 3.32Å; L513-N515 PolarHBondContact O-N 2.63Å; L513-I516 PolarHBondContact O-N 3.25Å; L513-V517 WeakPolarHBondContact O-CB 3.44Å; L513-V517 WeakPolarHBondContact O-CG2 3.44Å; L513-V517 PolarHBondContact O-N 2.66Å
514N67.1Low62.9Low45 Ų4571 Ų7124%0.24139%0.389CS..Hα-helixtrans-60.3-40.6176.7-73.1-19.3000112S510 S511 V517 N518S510-N514 WeakPolarHBondContact O-CB 3.46Å; S510-N514 PolarHBondContact O-N 3.47Å; S510-N514 PolarHBondContact O-ND2 3.06Å; S511-N514 PolarHBondContact O-N 3.17Å; N514-V517 PolarHBondContact O-N 3.08Å; N514-N518 WeakPolarHBondContact O-CB 3.48Å; N514-N518 PolarHBondContact O-N 3.33Å; N514-N518 PolarHBondContact O-ND2 3.23Å
515N70.8Confident64.3Low94 Ų9466 Ų6650%0.50337%0.367SS..Hα-helixtrans-64.5-52.7178.4-71.7-8.5000111.6S511 Y512 L513 V517 N518 D519S511-N515 WeakPolarHBondContact O-CB 3.24Å; S511-N515 PolarHBondContact O-N 3.01Å; S511-N515 PolarHBondContact O-ND2 3.31Å; S511-N515 PolarHBondContact O-OD1 3.32Å; Y512-N515 PolarHBondContact O-N 2.94Å; L513-N515 VanDerWaalsContact C-N 3.32Å; L513-N515 PolarHBondContact O-N 2.63Å; N515-V517 PolarHBondContact O-N 2.99Å; N515-N518 PolarHBondContact O-N 3.42Å; N515-D519 WeakPolarHBondContact O-CB 3.45Å; N515-D519 VanDerWaalsContact O-CG 3.22Å; N515-D519 PolarHBondContact O-N 2.88Å
516I72.1Confident65.8Low32 Ų3267.5 Ų67.516%0.16438%0.381CS..Hα-helixtrans-55.9-43.6177-71.1177.7000111F476 Y512 L513 W520F476-I516 HydrophobicContact CE2-CG2 4.14Å; Y512-I516 HydrophobicContact CD1-CD1 3.95Å; Y512-I516 HydrophobicContact CE1-CD1 3.3Å; Y512-I516 HydrophobicContact CE1-CG1 4.41Å; Y512-I516 HydrophobicContact CE2-CD1 4.05Å; Y512-I516 PolarHBondContact O-N 3.03Å; Y512-I516 VanDerWaalsContact O-N 3.09Å; L513-I516 PolarHBondContact O-N 3.25Å; I516-W520 WeakPolarHBondContact O-CB 3.42Å; I516-W520 PolarHBondContact O-N 3.32Å
517V71.8Confident66.3Low8 Ų872.8 Ų72.85%0.04839%0.39CS..Hα-helixtrans-66.6-44.3-178.6166.20000111.8F476 I496 L513 N514 N515 W520 L521F476-V517 HydrophobicContact CD1-CG2 4.27Å; F476-V517 HydrophobicContact CE1-CG2 3.42Å; F476-V517 VanDerWaalsContact CE1-CG2 3.42Å; F476-V517 HydrophobicContact CE2-CG2 3.93Å; F476-V517 HydrophobicContact CZ-CG2 3.23Å; I496-V517 HydrophobicContact CB-CG1 3.76Å; I496-V517 HydrophobicContact CD1-CB 4.48Å; I496-V517 HydrophobicContact CD1-CG1 3.11Å; I496-V517 HydrophobicContact CG1-CG1 3.87Å; I496-V517 HydrophobicContact CG2-CG1 3.61Å; L513-V517 WeakPolarHBondContact O-CB 3.44Å; L513-V517 WeakPolarHBondContact O-CG2 3.44Å; L513-V517 PolarHBondContact O-N 2.66Å; N514-V517 PolarHBondContact O-N 3.08Å; N515-V517 PolarHBondContact O-N 2.99Å; V517-W520 PolarHBondContact O-N 3.45Å; V517-L521 WeakPolarHBondContact O-CB 3.38Å; V517-L521 PolarHBondContact O-N 2.89Å
518N74.8Confident66.9Low65 Ų6573.6 Ų73.635%0.34839%0.394SS..Hα-helixtrans-70-40.5-179.9-72.1-27.1000111.3N514 N515 L521 S522N514-N518 WeakPolarHBondContact O-CB 3.48Å; N514-N518 PolarHBondContact O-N 3.33Å; N514-N518 PolarHBondContact O-ND2 3.23Å; N515-N518 PolarHBondContact O-N 3.42Å; N518-L521 PolarHBondContact O-N 3.16Å; N518-S522 VanDerWaalsContact O-CB 3.31Å; N518-S522 WeakPolarHBondContact O-CB 3.38Å; N518-S522 PolarHBondContact O-N 3.4Å; N518-S522 PolarHBondContact O-OG 3.41Å
519D76.1Confident67.5Low101 Ų10169 Ų6954%0.5437%0.367SS..Hα-helixtrans-63.6-43.6173.7-69.1-13.9000110.5N515 S522 N523N515-D519 WeakPolarHBondContact O-CB 3.45Å; N515-D519 VanDerWaalsContact O-CG 3.22Å; N515-D519 PolarHBondContact O-N 2.88Å; D519-S522 WeakPolarHBondContact CA-OG 3.47Å; D519-S522 PolarHBondContact O-OG 3.46Å; D519-N523 WeakPolarHBondContact O-CB 3.44Å; D519-N523 PolarHBondContact O-N 3.36Å; D519-N523 VanDerWaalsContact O-N 3.07Å; D519-N523 PolarHBondContact O-ND2 3.01Å
520W77Confident68.3Low29 Ų2970.6 Ų70.611%0.1137%0.368CS..Hα-helixtrans-64.8-44.5174.617083.1000112.3F476 N477 I480 I516 V517 N523 W524F476-W520 HydrophobicContact CB-CD2 3.8Å; F476-W520 HydrophobicContact CB-CE3 3.85Å; F476-W520 HydrophobicContact CB-CH2 3.51Å; F476-W520 HydrophobicContact CB-CZ2 3.49Å; F476-W520 VanDerWaalsContact CB-CZ2 3.49Å; F476-W520 HydrophobicContact CB-CZ3 3.71Å; F476-W520 HydrophobicContact CD2-CD2 4.41Å; F476-W520 HydrophobicContact CG-CD2 4.35Å; F476-W520 HydrophobicContact CG-CE3 4.27Å; F476-W520 HydrophobicContact CG-CZ3 4.41Å; F476-W520 WeakPolarHBondContact O-CH2 3.48Å; N477-W520 VanDerWaalsContact OD1-CZ2 3.28Å; N477-W520 WeakPolarHBondContact OD1-CZ2 3.42Å; N477-W520 PolarHBondContact OD1-NE1 2.9Å; I480-W520 HydrophobicContact CB-CH2 4.38Å; I480-W520 HydrophobicContact CD1-CH2 3.09Å; I480-W520 HydrophobicContact CD1-CZ2 3.97Å; I480-W520 HydrophobicContact CD1-CZ3 3.54Å; I480-W520 HydrophobicContact CG1-CH2 3.56Å; I480-W520 HydrophobicContact CG1-CZ3 4.08Å; I516-W520 WeakPolarHBondContact O-CB 3.42Å; I516-W520 PolarHBondContact O-N 3.32Å; V517-W520 PolarHBondContact O-N 3.45Å; W520-N523 PolarHBondContact O-N 3.26Å; W520-W524 AromaticContact CZ2-CD1 3.92Å; W520-W524 HydrophobicContact CZ2-CG 4.3Å; W520-W524 VanDerWaalsContact O-CB 3.28Å; W520-W524 WeakPolarHBondContact O-CB 3.5Å; W520-W524 PolarHBondContact O-N 3.42Å
521L76.3Confident68.8Low3 Ų375.9 Ų75.92%0.01639%0.393CS..Hα-helixtrans-66.9-40.8-179-179.165.6000111.4I480 R494 I496 V517 N518 W524 L525I480-L521 HydrophobicContact CD1-CD1 3.72Å; R494-L521 WeakPolarHBondContact O-CD2 3.47Å; I496-L521 HydrophobicContact CB-CD2 4.15Å; V517-L521 WeakPolarHBondContact O-CB 3.38Å; V517-L521 PolarHBondContact O-N 2.89Å; N518-L521 PolarHBondContact O-N 3.16Å; L521-W524 PolarHBondContact O-N 3.06Å; L521-L525 HydrophobicContact CD1-CD1 4.09Å; L521-L525 HydrophobicContact CD1-CG 4.19Å; L521-L525 HydrophobicContact CG-CD1 3.91Å; L521-L525 HydrophobicContact CG-CG 4.38Å; L521-L525 WeakPolarHBondContact O-CB 3.49Å; L521-L525 VanDerWaalsContact O-CG 3.28Å; L521-L525 WeakPolarHBondContact O-CG 3.47Å; L521-L525 PolarHBondContact O-N 3.16Å
522S76.4Confident69.4Low65 Ų6575.1 Ų75.146%0.45539%0.388SS..Hα-helixtrans-63.8-43.2175.359.60000111.5N518 D519 L525 S526N518-S522 VanDerWaalsContact O-CB 3.31Å; N518-S522 WeakPolarHBondContact O-CB 3.38Å; N518-S522 PolarHBondContact O-N 3.4Å; N518-S522 PolarHBondContact O-OG 3.41Å; D519-S522 WeakPolarHBondContact CA-OG 3.47Å; D519-S522 PolarHBondContact O-OG 3.46Å; S522-L525 PolarHBondContact O-N 2.97Å; S522-S526 PolarHBondContact O-N 2.97Å
523N74.6Confident69.9Low113 Ų11369.7 Ų69.760%0.60437%0.368SS*.Hα-helixtrans-61.7-42.1171.1-73.7-37.5000111.9D519 W520 L525 S526D519-N523 WeakPolarHBondContact O-CB 3.44Å; D519-N523 PolarHBondContact O-N 3.36Å; D519-N523 VanDerWaalsContact O-N 3.07Å; D519-N523 PolarHBondContact O-ND2 3.01Å; W520-N523 PolarHBondContact O-N 3.26Å; N523-L525 VanDerWaalsContact C-N 3.33Å; N523-L525 PolarHBondContact O-N 3.23Å; N523-S526 WeakPolarHBondContact O-CB 3.47Å; N523-S526 PolarHBondContact O-N 2.64Å; N523-S526 PolarHBondContact O-OG 3.08Å
524W71.7Confident70.3Confident34 Ų3472.5 Ų72.513%0.12938%0.376CS..Hα-helixtrans-67.6-32.6179-169.294.9000112.9I480 V492 W520 L521 K529 L533I480-W524 HydrophobicContact CB-CZ2 4.49Å; I480-W524 HydrophobicContact CD1-CD2 3.53Å; I480-W524 HydrophobicContact CD1-CE3 3.62Å; I480-W524 HydrophobicContact CD1-CG 3.95Å; I480-W524 HydrophobicContact CD1-CH2 4.45Å; I480-W524 HydrophobicContact CD1-CZ2 4.38Å; I480-W524 HydrophobicContact CD1-CZ3 4.06Å; I480-W524 HydrophobicContact CG2-CE3 4.45Å; I480-W524 HydrophobicContact CG2-CH2 3.45Å; I480-W524 VanDerWaalsContact CG2-CH2 3.45Å; I480-W524 HydrophobicContact CG2-CZ2 3.5Å; I480-W524 VanDerWaalsContact CG2-CZ2 3.5Å; I480-W524 HydrophobicContact CG2-CZ3 3.93Å; V492-W524 HydrophobicContact CB-CH2 4.43Å; V492-W524 HydrophobicContact CB-CZ3 3.85Å; V492-W524 HydrophobicContact CG1-CE3 4.46Å; V492-W524 HydrophobicContact CG1-CZ3 3.84Å; V492-W524 HydrophobicContact CG2-CH2 3.66Å; V492-W524 HydrophobicContact CG2-CZ3 3.58Å; W520-W524 AromaticContact CZ2-CD1 3.92Å; W520-W524 HydrophobicContact CZ2-CG 4.3Å; W520-W524 VanDerWaalsContact O-CB 3.28Å; W520-W524 WeakPolarHBondContact O-CB 3.5Å; W520-W524 PolarHBondContact O-N 3.42Å; L521-W524 PolarHBondContact O-N 3.06Å; W524-K529 WeakPolarHBondContact O-CE 3.42Å; W524-K529 PolarHBondContact O-NZ 3.02Å; W524-L533 HydrophobicContact CZ2-CD2 4.43Å
525L72.9Confident70.8Confident51 Ų5172.6 Ų72.627%0.26738%0.381SS..Hα-helixtrans-83.7-15.7175.1-70.9173.2000113.2V492 L521 S522 N523 E527V492-L525 HydrophobicContact CB-CD2 4.27Å; V492-L525 HydrophobicContact CG1-CD2 4.3Å; L521-L525 HydrophobicContact CD1-CD1 4.09Å; L521-L525 HydrophobicContact CD1-CG 4.19Å; L521-L525 HydrophobicContact CG-CD1 3.91Å; L521-L525 HydrophobicContact CG-CG 4.38Å; L521-L525 WeakPolarHBondContact O-CB 3.49Å; L521-L525 VanDerWaalsContact O-CG 3.28Å; L521-L525 WeakPolarHBondContact O-CG 3.47Å; L521-L525 PolarHBondContact O-N 3.16Å; S522-L525 PolarHBondContact O-N 2.97Å; N523-L525 VanDerWaalsContact C-N 3.33Å; N523-L525 PolarHBondContact O-N 3.23Å; L525-E527 PolarHBondContact O-N 3.48Å
526S73.4Confident71.3Confident70 Ų7068.2 Ų68.249%0.4936%0.357SS..PPolyproline II helixtrans-60.4133178.473.50000111S522 N523S522-S526 PolarHBondContact O-N 2.97Å; N523-S526 WeakPolarHBondContact O-CB 3.47Å; N523-S526 PolarHBondContact O-N 2.64Å; N523-S526 PolarHBondContact O-OG 3.08Å
527E56.8Low71.7Confident172 Ų17267 Ų6780%0.80435%0.351SS*.SBendtrans-93.7154.5177.5-76.9-164.9171.700111L525L525-E527 PolarHBondContact O-N 3.48Å
528P58.1Low72.2Confident126 Ų12669.6 Ų69.682%0.81837%0.367SS*.PPolyproline II helixcis-89132.24.532.1-31.7000113.1
529K63.1Low72.7Confident42 Ų4269 Ų6918%0.18336%0.363CS..PPolyproline II helixtrans-71.5140.9169-71.6-178.8172.6-173.50110.2W524 L531 W534W524-K529 WeakPolarHBondContact O-CE 3.42Å; W524-K529 PolarHBondContact O-NZ 3.02Å; K529-L531 PolarHBondContact O-N 3.47Å; K529-W534 HydrophobicContact CD-CZ2 4.1Å
530R65.7Low73.3Confident164 Ų16464.2 Ų64.262%0.61934%0.338SS*.PPolyproline II helixtrans-64.4134.3169.8-67.1177.3172.6170.5-4.9109.5S532 L533 K581R530-S532 WeakPolarHBondContact CB-OG 3.14Å; R530-S532 PolarHBondContact O-N 3.28Å; R530-L533 PolarHBondContact O-N 2.82Å; R530-K581 PolarHBondContact NH1-O 2.63Å
531L64.3Low73.7Confident142 Ų14263 Ų6374%0.74333%0.334SS*.Hα-helixtrans-51.4-30.4175.9-174.868.7000112.3K529 L533 S535K529-L531 PolarHBondContact O-N 3.47Å; L531-L533 PolarHBondContact O-N 3.3Å; L531-S535 WeakPolarHBondContact O-CB 3.3Å; L531-S535 PolarHBondContact O-N 3.43Å; L531-S535 PolarHBondContact O-OG 2.95Å
532S70Confident74.2Confident49 Ų4966.3 Ų66.334%0.34336%0.356SS..Hα-helixtrans-55.3-49.717654.60000112.5R530 W534 S535 K536 Y573R530-S532 WeakPolarHBondContact CB-OG 3.14Å; R530-S532 PolarHBondContact O-N 3.28Å; S532-W534 PolarHBondContact O-N 3.43Å; S532-S535 WeakPolarHBondContact O-CB 3.37Å; S532-S535 PolarHBondContact O-N 3.32Å; S532-K536 PolarHBondContact O-N 3.4Å; S532-Y573 WeakPolarHBondContact CB-OH 3.27Å; S532-Y573 WeakPolarHBondContact O-CE1 3.5Å; S532-Y573 PolarHBondContact O-OH 3.19Å
533L71.8Confident74.9Confident26 Ų2664.1 Ų64.114%0.13634%0.339CS..Hα-helixtrans-62.9-47.3-175.8-167.474.5000111.7W524 R530 L531 S535 K536 V537 Y573 Y579W524-L533 HydrophobicContact CZ2-CD2 4.43Å; R530-L533 PolarHBondContact O-N 2.82Å; L531-L533 PolarHBondContact O-N 3.3Å; L533-S535 VanDerWaalsContact C-N 3.32Å; L533-S535 PolarHBondContact O-N 3.41Å; L533-K536 PolarHBondContact O-N 3.33Å; L533-V537 WeakPolarHBondContact O-CG2 3.46Å; L533-V537 PolarHBondContact O-N 3.37Å; L533-V537 VanDerWaalsContact O-N 3.14Å; L533-Y573 VanDerWaalsContact CA-OH 3.31Å; L533-Y573 WeakPolarHBondContact CA-OH 3.19Å; L533-Y573 PolarHBondContact N-OH 3.11Å; L533-Y573 VanDerWaalsContact N-OH 3.13Å; L533-Y579 HydrophobicContact CD1-CD1 3.56Å; L533-Y579 HydrophobicContact CD1-CG 4.22Å; L533-Y579 HydrophobicContact CG-CD1 4.25Å
534W72.1Confident75.5Confident91 Ų9159.3 Ų59.335%0.34531%0.313SS..Hα-helixtrans-65-37.1177.4-85117.6000112.4T490 K529 S532 K536 V537 T538T490-W534 VanDerWaalsContact O-CH2 3.3Å; T490-W534 WeakPolarHBondContact O-CH2 3.42Å; T490-W534 WeakPolarHBondContact O-CZ3 3.49Å; K529-W534 HydrophobicContact CD-CZ2 4.1Å; S532-W534 PolarHBondContact O-N 3.43Å; W534-K536 VanDerWaalsContact C-N 3.31Å; W534-K536 PolarHBondContact O-N 2.83Å; W534-V537 PolarHBondContact O-N 2.95Å; W534-T538 WeakPolarHBondContact O-CB 3.37Å; W534-T538 PolarHBondContact O-N 3.31Å; W534-T538 PolarHBondContact O-OG1 2.51Å
535S77.5Confident76.2Confident47 Ų4763.5 Ų63.533%0.32933%0.329SS..Hα-helixtrans-61.6-43.1176.8-59.20000110.5L531 S532 L533 T538 I539L531-S535 WeakPolarHBondContact O-CB 3.3Å; L531-S535 PolarHBondContact O-N 3.43Å; L531-S535 PolarHBondContact O-OG 2.95Å; S532-S535 WeakPolarHBondContact O-CB 3.37Å; S532-S535 PolarHBondContact O-N 3.32Å; L533-S535 VanDerWaalsContact C-N 3.32Å; L533-S535 PolarHBondContact O-N 3.41Å; S535-T538 PolarHBondContact O-N 3.37Å; S535-I539 WeakPolarHBondContact O-CB 3.43Å; S535-I539 WeakPolarHBondContact O-CD1 3.41Å; S535-I539 WeakPolarHBondContact O-CG1 3.2Å; S535-I539 PolarHBondContact O-N 3.25Å
536K81.6Confident76.9Confident2 Ų262.5 Ų62.51%0.00933%0.326CS..Hα-helixtrans-61.8-50.1176.3-179.7171.7-178.4169.30113S532 L533 W534 T538 I539 R540 Y573 L574 D576 E578 Y579S532-K536 PolarHBondContact O-N 3.4Å; L533-K536 PolarHBondContact O-N 3.33Å; W534-K536 VanDerWaalsContact C-N 3.31Å; W534-K536 PolarHBondContact O-N 2.83Å; K536-T538 VanDerWaalsContact C-N 3.3Å; K536-T538 PolarHBondContact O-N 2.87Å; K536-I539 PolarHBondContact O-N 2.9Å; K536-R540 WeakPolarHBondContact O-CB 3.14Å; K536-R540 WeakPolarHBondContact O-CG 3.43Å; K536-R540 PolarHBondContact O-N 3.4Å; K536-Y573 HydrophobicContact CB-CE1 3.84Å; K536-Y573 HydrophobicContact CD-CE1 4.13Å; K536-Y573 WeakPolarHBondContact CD-O 3.28Å; K536-Y573 VanDerWaalsContact CE-O 3.29Å; K536-Y573 WeakPolarHBondContact CE-O 3.38Å; K536-Y573 PolarHBondContact NZ-O 3.49Å; K536-L574 HydrophobicContact CB-CD2 3.9Å; K536-L574 HydrophobicContact CG-CD2 3.96Å; K536-D576 WeakPolarHBondContact CE-O 3.48Å; K536-D576 PolarHBondContact NZ-O 3.19Å; K536-E578 PolarHBondContact NZ-O 3.47Å; K536-Y579 HydrophobicContact CD-CE1 4.44Å; K536-Y579 HydrophobicContact CG-CE1 4.43Å
537V79.3Confident77.5Confident6 Ų664.8 Ų64.84%0.03634%0.337CS..Hα-helixtrans-54.6-48.4175.1172.10000111V484 L533 W534 T541 Y579V484-V537 HydrophobicContact CB-CG1 4.38Å; V484-V537 HydrophobicContact CG1-CG1 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.46Å; L533-V537 PolarHBondContact O-N 3.37Å; L533-V537 VanDerWaalsContact O-N 3.14Å; W534-V537 PolarHBondContact O-N 2.95Å; V537-T541 VanDerWaalsContact O-CB 3.31Å; V537-T541 WeakPolarHBondContact O-CB 3.35Å; V537-T541 PolarHBondContact O-N 3.28Å; V537-T541 PolarHBondContact O-OG1 3.21Å; V537-Y579 HydrophobicContact CG2-CD1 4.35Å; V537-Y579 HydrophobicContact CG2-CE1 3.53Å
538T82Confident78.8Confident63 Ų6361.5 Ų61.539%0.38732%0.321SS..Hα-helixtrans-64.4-48.7-176.8-56.30000110.9W534 S535 K536 T541 C542W534-T538 WeakPolarHBondContact O-CB 3.37Å; W534-T538 PolarHBondContact O-N 3.31Å; W534-T538 PolarHBondContact O-OG1 2.51Å; S535-T538 PolarHBondContact O-N 3.37Å; K536-T538 VanDerWaalsContact C-N 3.3Å; K536-T538 PolarHBondContact O-N 2.87Å; T538-T541 PolarHBondContact O-N 3.31Å; T538-C542 WeakPolarHBondContact O-CB 3.3Å; T538-C542 PolarHBondContact O-N 3.41Å; T538-C542 PolarHBondContact O-SG 3.4Å; T538-C542 VanDerWaalsContact O-SG 3.35Å
539I86.5Confident80.2Confident52 Ų5255.6 Ų55.627%0.26728%0.283SS..Hα-helixtrans-61.5-48.6-180-70.1164.5000110.7S535 K536 T541 C542 L543 L564 L574S535-I539 WeakPolarHBondContact O-CB 3.43Å; S535-I539 WeakPolarHBondContact O-CD1 3.41Å; S535-I539 WeakPolarHBondContact O-CG1 3.2Å; S535-I539 PolarHBondContact O-N 3.25Å; K536-I539 PolarHBondContact O-N 2.9Å; I539-T541 VanDerWaalsContact C-N 3.34Å; I539-T541 PolarHBondContact O-N 2.94Å; I539-C542 WeakPolarHBondContact O-CB 3.37Å; I539-C542 PolarHBondContact O-N 3.22Å; I539-L543 HydrophobicContact CG2-CD1 4.24Å; I539-L543 HydrophobicContact CG2-CG 4.5Å; I539-L543 WeakPolarHBondContact O-CG 3.49Å; I539-L543 PolarHBondContact O-N 3.19Å; I539-L564 HydrophobicContact CG2-CD1 4.04Å; I539-L574 HydrophobicContact CB-CD2 4.14Å; I539-L574 HydrophobicContact CD1-CD1 4.06Å; I539-L574 HydrophobicContact CD1-CD2 3.9Å; I539-L574 HydrophobicContact CG2-CD1 4.04Å; I539-L574 HydrophobicContact CG2-CD2 4.21Å
540R88Confident81.3Confident1 Ų159.1 Ų59.10%0.00430%0.295CS..Hα-helixtrans-61.1-43177.8-70.4177.86697-2.8111.4E485 K536 C542 L543 R544 V557 N558 I561 L574 N577E485-R540 HydrophobicContact CG-CB 4.44Å; E485-R540 IonicContact OE1-CZ 2.73Å; E485-R540 IonicContact OE1-NE 3.39Å; E485-R540 PolarHBondContact OE1-NE 2.99Å; E485-R540 IonicContact OE1-NH2 3.51Å; E485-R540 PolarHBondContact OE1-NH2 2.9Å; E485-R540 IonicContact OE2-NE 2.8Å; E485-R540 IonicContact OE2-NH2 2.64Å; K536-R540 WeakPolarHBondContact O-CB 3.14Å; K536-R540 WeakPolarHBondContact O-CG 3.43Å; K536-R540 PolarHBondContact O-N 3.4Å; R540-C542 VanDerWaalsContact C-N 3.33Å; R540-C542 PolarHBondContact O-N 3.16Å; R540-L543 PolarHBondContact O-N 3.19Å; R540-R544 VanDerWaalsContact O-CG 3.29Å; R540-R544 WeakPolarHBondContact O-CG 3.37Å; R540-R544 PolarHBondContact O-N 3.29Å; R540-V557 HydrophobicContact CG-CG1 4.33Å; R540-N558 PolarHBondContact NH1-OD1 2.99Å; R540-I561 HydrophobicContact CG-CD1 4.4Å; R540-L574 PolarHBondContact NH1-O 2.68Å; R540-N577 PolarHBondContact NH1-OD1 3.33Å; R540-N577 PolarHBondContact NH2-OD1 3.46Å; R540-N577 VanDerWaalsContact NH2-OD1 3.11Å
541T85.7Confident82.3Confident5 Ų554.1 Ų54.13%0.03129%0.285CS..Hα-helixtrans-61.4-39.9175.6-56.20000112.1V537 T538 I539 R544 R545V537-T541 VanDerWaalsContact O-CB 3.31Å; V537-T541 WeakPolarHBondContact O-CB 3.35Å; V537-T541 PolarHBondContact O-N 3.28Å; V537-T541 PolarHBondContact O-OG1 3.21Å; T538-T541 PolarHBondContact O-N 3.31Å; I539-T541 VanDerWaalsContact C-N 3.34Å; I539-T541 PolarHBondContact O-N 2.94Å; T541-R544 PolarHBondContact O-N 3.24Å; T541-R545 WeakPolarHBondContact O-CG 3.46Å; T541-R545 PolarHBondContact O-N 2.7Å
542C87.3Confident83.3Confident72 Ų7251.9 Ų51.949%0.48627%0.27SS..Hα-helixtrans-64-44.3173.8-74.30000111.9T538 I539 R540 R544 R545 S546T538-C542 WeakPolarHBondContact O-CB 3.3Å; T538-C542 PolarHBondContact O-N 3.41Å; T538-C542 PolarHBondContact O-SG 3.4Å; T538-C542 VanDerWaalsContact O-SG 3.35Å; I539-C542 WeakPolarHBondContact O-CB 3.37Å; I539-C542 PolarHBondContact O-N 3.22Å; R540-C542 VanDerWaalsContact C-N 3.33Å; R540-C542 PolarHBondContact O-N 3.16Å; C542-R544 VanDerWaalsContact C-N 3.34Å; C542-R544 PolarHBondContact O-N 3.08Å; C542-R545 WeakPolarHBondContact O-CB 3.29Å; C542-R545 PolarHBondContact O-N 3.18Å; C542-R545 VanDerWaalsContact O-N 3.08Å; C542-S546 PolarHBondContact O-N 3.34Å; C542-S546 VanDerWaalsContact O-N 3.09Å
543L89.6Confident84.2Confident19 Ų1953.9 Ų53.910%0.09928%0.282CS..Hα-helixtrans-61.2-40.8175.4-70.2175.9000111.9I539 R540 R545 S546 H549 V557 L560 I561 L564I539-L543 HydrophobicContact CG2-CD1 4.24Å; I539-L543 HydrophobicContact CG2-CG 4.5Å; I539-L543 WeakPolarHBondContact O-CG 3.49Å; I539-L543 PolarHBondContact O-N 3.19Å; R540-L543 PolarHBondContact O-N 3.19Å; L543-R545 PolarHBondContact O-N 3.17Å; L543-S546 VanDerWaalsContact O-CB 3.22Å; L543-S546 WeakPolarHBondContact O-CB 3.42Å; L543-S546 PolarHBondContact O-N 3.48Å; L543-S546 PolarHBondContact O-OG 3.49Å; L543-H549 VanDerWaalsContact O-CB 3.25Å; L543-H549 WeakPolarHBondContact O-CB 3.23Å; L543-V557 HydrophobicContact CD1-CG1 4.07Å; L543-L560 HydrophobicContact CD1-CB 4.33Å; L543-L560 HydrophobicContact CD2-CB 4.18Å; L543-I561 HydrophobicContact CD1-CD1 4.35Å; L543-I561 HydrophobicContact CD1-CG1 3.49Å; L543-I561 VanDerWaalsContact CD1-CG1 3.49Å; L543-L564 HydrophobicContact CD1-CD1 4.3Å; L543-L564 HydrophobicContact CD2-CD2 4.32Å
544R88.2Confident85.1Confident12 Ų1253.2 Ų53.25%0.04528%0.277CS..Hα-helixtrans-61.3-29.2174.1-66.4-66.9-173.5-164.6-9.7113.4V446 N447 F448 E485 R540 T541 C542 H549V446-R544 VanDerWaalsContact O-CZ 3.3Å; V446-R544 PolarHBondContact O-NH1 3.23Å; V446-R544 PolarHBondContact O-NH2 3.32Å; N447-R544 PolarHBondContact O-NH1 2.67Å; F448-R544 VanDerWaalsContact C-NH1 3.28Å; F448-R544 PolarHBondContact O-NH1 2.72Å; E485-R544 IonicContact OE2-CZ 2.73Å; E485-R544 IonicContact OE2-NE 3.17Å; E485-R544 PolarHBondContact OE2-NE 3.09Å; E485-R544 IonicContact OE2-NH2 3.01Å; E485-R544 PolarHBondContact OE2-NH2 3.43Å; R540-R544 VanDerWaalsContact O-CG 3.29Å; R540-R544 WeakPolarHBondContact O-CG 3.37Å; R540-R544 PolarHBondContact O-N 3.29Å; T541-R544 PolarHBondContact O-N 3.24Å; C542-R544 VanDerWaalsContact C-N 3.34Å; C542-R544 PolarHBondContact O-N 3.08Å; R544-H549 WeakPolarHBondContact CD-CE1 3.33Å; R544-H549 WeakPolarHBondContact CD-NE2 3.33Å; R544-H549 PolarHBondContact NH1-NE2 2.71Å; R544-H549 PolarHBondContact O-ND1 3.11Å
545R86.2Confident85.9Confident122 Ų12253.6 Ų53.646%0.4628%0.283SS..Hα-helixtrans-83.2-16176.2-68.6171.3177.4-167.5-0.6112.9R488 T541 C542 L543 R550R488-R545 PolarHBondContact O-NH2 2.93Å; T541-R545 WeakPolarHBondContact O-CG 3.46Å; T541-R545 PolarHBondContact O-N 2.7Å; C542-R545 WeakPolarHBondContact O-CB 3.29Å; C542-R545 PolarHBondContact O-N 3.18Å; C542-R545 VanDerWaalsContact O-N 3.08Å; L543-R545 PolarHBondContact O-N 3.17Å; R545-R550 PolarHBondContact O-NE 3.47Å
546S88.6Confident86.6Confident29 Ų2952.7 Ų52.720%0.20328%0.276CS..SBendtrans-62.1152.5179.976.60000111.8C542 L543 Q548 H549 R550C542-S546 PolarHBondContact O-N 3.34Å; C542-S546 VanDerWaalsContact O-N 3.09Å; L543-S546 VanDerWaalsContact O-CB 3.22Å; L543-S546 WeakPolarHBondContact O-CB 3.42Å; L543-S546 PolarHBondContact O-N 3.48Å; L543-S546 PolarHBondContact O-OG 3.49Å; S546-Q548 VanDerWaalsContact C-N 3.28Å; S546-Q548 PolarHBondContact O-N 3.04Å; S546-H549 PolarHBondContact O-N 2.74Å; S546-H549 PolarHBondContact OG-N 2.92Å; S546-R550 WeakPolarHBondContact O-CG 3.39Å; S546-R550 PolarHBondContact O-N 3.16Å
547T85.2Confident87Confident119 Ų11952.6 Ų52.673%0.7328%0.276SS*.Hα-helixtrans-61.9-37.3174.648.70000111.8H549 R550 S551T547-H549 VanDerWaalsContact C-N 3.34Å; T547-H549 PolarHBondContact O-N 3.31Å; T547-R550 PolarHBondContact O-N 3.34Å; T547-R550 VanDerWaalsContact O-N 3.08Å; T547-S551 PolarHBondContact O-N 3.03Å; T547-S551 PolarHBondContact O-OG 3.04Å
548Q84.7Confident87.6Confident102 Ų10253.6 Ų53.648%0.47728%0.281SS..Hα-helixtrans-62.3-35.9179.6-67.8176.5-21.300113.4S546 S551 L560S546-Q548 VanDerWaalsContact C-N 3.28Å; S546-Q548 PolarHBondContact O-N 3.04Å; Q548-S551 PolarHBondContact O-OG 3.45Å; Q548-L560 HydrophobicContact CB-CD2 4.02Å
549H87.5Confident88Confident2 Ų255 Ų551%0.00928%0.283CS..Hα-helixtrans-81.7-21.5174.6-177.9-88.9000112.7D411 F448 L543 R544 S546 T547 K554 L560D411-H549 IonicContact OD2-CE1 3.19Å; F448-H549 PolarHBondContact O-NE2 3.32Å; L543-H549 VanDerWaalsContact O-CB 3.25Å; L543-H549 WeakPolarHBondContact O-CB 3.23Å; R544-H549 WeakPolarHBondContact CD-CE1 3.33Å; R544-H549 WeakPolarHBondContact CD-NE2 3.33Å; R544-H549 PolarHBondContact NH1-NE2 2.71Å; R544-H549 PolarHBondContact O-ND1 3.11Å; S546-H549 PolarHBondContact O-N 2.74Å; S546-H549 PolarHBondContact OG-N 2.92Å; T547-H549 VanDerWaalsContact C-N 3.34Å; T547-H549 PolarHBondContact O-N 3.31Å; H549-K554 WeakPolarHBondContact O-CD 3.38Å; H549-K554 VanDerWaalsContact O-CE 3.32Å; H549-K554 WeakPolarHBondContact O-CE 3.5Å; H549-K554 WeakPolarHBondContact O-CG 3.47Å; H549-L560 HydrophobicContact CB-CD1 3.98Å
550R85.3Confident88.3Confident117 Ų11752.6 Ų52.644%0.44227%0.27SS..Hα-helixtrans-90.5-21.2-179.4-72.3-179.2177-170.91.2113.5R545 S546 T547R545-R550 PolarHBondContact O-NE 3.47Å; S546-R550 WeakPolarHBondContact O-CG 3.39Å; S546-R550 PolarHBondContact O-N 3.16Å; T547-R550 PolarHBondContact O-N 3.34Å; T547-R550 VanDerWaalsContact O-N 3.08Å
551S87.7Confident88.4Confident58 Ų5852.5 Ų52.541%0.40627%0.27SS..SBendtrans-66.9150.6174.353.20000111.4T547 Q548 P553 K554T547-S551 PolarHBondContact O-N 3.03Å; T547-S551 PolarHBondContact O-OG 3.04Å; Q548-S551 PolarHBondContact O-OG 3.45Å; S551-P553 CarbonylContact O-C 2.92Å; S551-K554 VanDerWaalsContact O-CA 3.29Å; S551-K554 WeakPolarHBondContact O-CA 3.33Å; S551-K554 WeakPolarHBondContact O-CG 3.01Å; S551-K554 PolarHBondContact O-N 2.96Å; S551-K554 VanDerWaalsContact O-N 3.13Å
552F84.9Confident88.7Confident96 Ų9657 Ų5742%0.42129%0.29SS..SBendtrans-102131.1167.2-66-67.8000109.7P407 K554P407-F552 WeakPolarHBondContact O-CD1 3.41Å; F552-K554 HydrophobicContact CD1-CG 4.41Å; F552-K554 HydrophobicContact CE1-CG 4.37Å
553P88.6Confident88.8Confident91 Ų9157.6 Ų57.659%0.59129%0.294SS*.SBendcis-70143.3-7.229.6-34000112.5P407 L408 S551P407-P553 HydrophobicContact CB-CB 3.6Å; P407-P553 WeakPolarHBondContact O-CA 3.31Å; L408-P553 HydrophobicContact CD2-CB 4.36Å; S551-P553 CarbonylContact O-C 2.92Å
554K90.3Very high88.8Confident11 Ų1158.7 Ų58.75%0.04830%0.3CS..PPolyproline II helixtrans-70.6144.8176.5-63.1-175.1161.9173.10111P407 I409 D411 F448 H549 S551 F552P407-K554 WeakPolarHBondContact O-CG 3.49Å; P407-K554 PolarHBondContact O-N 3.13Å; I409-K554 WeakPolarHBondContact O-CE 3.45Å; I409-K554 PolarHBondContact O-NZ 3.42Å; D411-K554 IonicContact OD1-NZ 3.51Å; D411-K554 IonicContact OD2-NZ 2.66Å; D411-K554 PolarHBondContact OD2-NZ 2.74Å; F448-K554 HydrophobicContact CD1-CB 4.19Å; F448-K554 WeakPolarHBondContact CE1-O 3.31Å; F448-K554 PolarHBondContact O-NZ 2.93Å; H549-K554 WeakPolarHBondContact O-CD 3.38Å; H549-K554 VanDerWaalsContact O-CE 3.32Å; H549-K554 WeakPolarHBondContact O-CE 3.5Å; H549-K554 WeakPolarHBondContact O-CG 3.47Å; S551-K554 VanDerWaalsContact O-CA 3.29Å; S551-K554 WeakPolarHBondContact O-CA 3.33Å; S551-K554 WeakPolarHBondContact O-CG 3.01Å; S551-K554 PolarHBondContact O-N 2.96Å; S551-K554 VanDerWaalsContact O-N 3.13Å; F552-K554 HydrophobicContact CD1-CG 4.41Å; F552-K554 HydrophobicContact CE1-CG 4.37Å
555Q90.3Very high88.9Confident99 Ų9964.5 Ų64.546%0.46334%0.339SS..PPolyproline II helixtrans-86.8140.8163.5-69.1-173.6-10.900110.7V557 L560Q555-V557 PolarHBondContact O-N 2.81Å; Q555-L560 HydrophobicContact CB-CD1 4.5Å; Q555-L560 HydrophobicContact CB-CD2 4.03Å; Q555-L560 HydrophobicContact CB-CG 4.1Å
556P91.4Very high89Confident28 Ų2861.7 Ų61.718%0.18233%0.333CS..PPolyproline II helixtrans-62.8138173.925.8-32.6000109.8N447 F448 N558 E559 L560N447-P556 HydrophobicContact CB-CB 4.27Å; F448-P556 HydrophobicContact CD2-CB 4.29Å; F448-P556 HydrophobicContact CE1-CB 4.2Å; F448-P556 HydrophobicContact CE1-CG 4.49Å; F448-P556 HydrophobicContact CE2-CB 3.81Å; F448-P556 HydrophobicContact CE2-CG 4.46Å; F448-P556 HydrophobicContact CZ-CB 3.76Å; F448-P556 HydrophobicContact CZ-CG 4.01Å; P556-N558 PolarHBondContact O-N 3.46Å; P556-N558 VanDerWaalsContact O-N 3.08Å; P556-E559 HydrophobicContact CG-CB 3.87Å; P556-E559 HydrophobicContact CG-CG 3.54Å; P556-E559 PolarHBondContact O-N 3.33Å; P556-L560 PolarHBondContact O-N 3.45Å
557V90.6Very high89.1Confident0 Ų062.9 Ų62.90%035%0.345CS..Hα-helixtrans-54.9-33.4-179.6167.20000112.3N447 R540 L543 Q555 E559 L560 I561N447-V557 PolarHBondContact O-N 2.7Å; R540-V557 HydrophobicContact CG-CG1 4.33Å; L543-V557 HydrophobicContact CD1-CG1 4.07Å; Q555-V557 PolarHBondContact O-N 2.81Å; V557-E559 PolarHBondContact O-N 3.37Å; V557-L560 WeakPolarHBondContact O-CB 2.98Å; V557-L560 PolarHBondContact O-N 2.98Å; V557-I561 HydrophobicContact CG1-CD1 3.77Å; V557-I561 HydrophobicContact CG1-CG1 4.27Å; V557-I561 VanDerWaalsContact O-CG1 3.26Å; V557-I561 WeakPolarHBondContact O-CG1 3.35Å; V557-I561 PolarHBondContact O-N 3.49Å
558N90.8Very high89.3Confident27 Ų2762 Ų6214%0.14434%0.341CS..Hα-helixtrans-64.9-37.8177.7-78.316.9000112.9N447 R540 P556 I561 K562 L575N447-N558 PolarHBondContact ND2-ND2 3.28Å; N447-N558 VanDerWaalsContact ND2-ND2 3.17Å; N447-N558 PolarHBondContact OD1-OD1 3.3Å; R540-N558 PolarHBondContact NH1-OD1 2.99Å; P556-N558 PolarHBondContact O-N 3.46Å; P556-N558 VanDerWaalsContact O-N 3.08Å; N558-I561 PolarHBondContact O-N 3.43Å; N558-K562 WeakPolarHBondContact O-CG 3.38Å; N558-K562 PolarHBondContact O-N 2.95Å; N558-L575 VanDerWaalsContact CA-CD2 3.48Å; N558-L575 HydrophobicContact CB-CD2 3.4Å; N558-L575 PolarHBondContact ND2-O 3.18Å; N558-L575 WeakPolarHBondContact O-CD2 3.11Å
559E90.7Very high89.4Confident93 Ų9364.7 Ų64.744%0.43536%0.356SS..Hα-helixtrans-71.6-36.1174.2-66.7-58.3133.700111.5P556 V557 I561 K562 S563P556-E559 HydrophobicContact CG-CB 3.87Å; P556-E559 HydrophobicContact CG-CG 3.54Å; P556-E559 PolarHBondContact O-N 3.33Å; V557-E559 PolarHBondContact O-N 3.37Å; E559-I561 VanDerWaalsContact C-N 3.3Å; E559-I561 PolarHBondContact O-N 2.92Å; E559-K562 PolarHBondContact O-N 2.97Å; E559-K562 IonicContact OE1-NZ 3.88Å; E559-K562 PolarHBondContact OE1-NZ 3.17Å; E559-K562 IonicContact OE2-NZ 2.68Å; E559-S563 PolarHBondContact O-N 3.45Å
560L92.1Very high89.3Confident1 Ų169 Ų691%0.00538%0.378CS..Hα-helixtrans-59.9-41.3172.2-64.6175.6000111.5L543 Q548 H549 Q555 P556 V557 K562 S563 L564L543-L560 HydrophobicContact CD1-CB 4.33Å; L543-L560 HydrophobicContact CD2-CB 4.18Å; Q548-L560 HydrophobicContact CB-CD2 4.02Å; H549-L560 HydrophobicContact CB-CD1 3.98Å; Q555-L560 HydrophobicContact CB-CD1 4.5Å; Q555-L560 HydrophobicContact CB-CD2 4.03Å; Q555-L560 HydrophobicContact CB-CG 4.1Å; P556-L560 PolarHBondContact O-N 3.45Å; V557-L560 WeakPolarHBondContact O-CB 2.98Å; V557-L560 PolarHBondContact O-N 2.98Å; L560-K562 PolarHBondContact O-N 2.89Å; L560-S563 PolarHBondContact O-N 3Å; L560-S563 PolarHBondContact O-OG 3.01Å; L560-L564 PolarHBondContact O-N 3.46Å
561I91.4Very high89.4Confident0 Ų065.2 Ų65.20%037%0.365CS..Hα-helixtrans-61.1-43.6176.5-71.9162.6000111.6R540 L543 V557 N558 E559 S563 L564 Q571 L574 L575R540-I561 HydrophobicContact CG-CD1 4.4Å; L543-I561 HydrophobicContact CD1-CD1 4.35Å; L543-I561 HydrophobicContact CD1-CG1 3.49Å; L543-I561 VanDerWaalsContact CD1-CG1 3.49Å; V557-I561 HydrophobicContact CG1-CD1 3.77Å; V557-I561 HydrophobicContact CG1-CG1 4.27Å; V557-I561 VanDerWaalsContact O-CG1 3.26Å; V557-I561 WeakPolarHBondContact O-CG1 3.35Å; V557-I561 PolarHBondContact O-N 3.49Å; N558-I561 PolarHBondContact O-N 3.43Å; E559-I561 VanDerWaalsContact C-N 3.3Å; E559-I561 PolarHBondContact O-N 2.92Å; I561-S563 PolarHBondContact O-N 3.26Å; I561-L564 WeakPolarHBondContact O-CB 3.24Å; I561-L564 PolarHBondContact O-N 2.96Å; I561-Q571 HydrophobicContact CG2-CB 4.3Å; I561-L574 HydrophobicContact CD1-CB 3.96Å; I561-L574 WeakPolarHBondContact CD1-O 3.39Å; I561-L574 HydrophobicContact CG1-CB 4.28Å; I561-L574 HydrophobicContact CG2-CB 3.6Å; I561-L574 HydrophobicContact CG2-CD1 4.13Å; I561-L575 HydrophobicContact CB-CD2 4.12Å; I561-L575 HydrophobicContact CG2-CD2 4.08Å; I561-L575 HydrophobicContact CG2-CG 3.97Å
562K90.8Very high89.3Confident100 Ų10069 Ų6944%0.43538%0.377SS..Hα-helixtrans-62.9-28177.7-69.6173.1-175.41720112.7N558 E559 L560 L564 Q571 L575N558-K562 WeakPolarHBondContact O-CG 3.38Å; N558-K562 PolarHBondContact O-N 2.95Å; E559-K562 PolarHBondContact O-N 2.97Å; E559-K562 IonicContact OE1-NZ 3.88Å; E559-K562 PolarHBondContact OE1-NZ 3.17Å; E559-K562 IonicContact OE2-NZ 2.68Å; L560-K562 PolarHBondContact O-N 2.89Å; K562-L564 VanDerWaalsContact C-N 3.31Å; K562-Q571 PolarHBondContact O-NE2 3.1Å; K562-L575 HydrophobicContact CG-CD1 4.03Å; K562-L575 HydrophobicContact CG-CD2 4.24Å
563S90Very high89.3Confident83 Ų8367.9 Ų67.958%0.5837%0.37SS*.THydrogen-bonded Turntrans-79.5-10.8176.378.20000114E559 L560 I561E559-S563 PolarHBondContact O-N 3.45Å; L560-S563 PolarHBondContact O-N 3Å; L560-S563 PolarHBondContact O-OG 3.01Å; I561-S563 PolarHBondContact O-N 3.26Å
564L90Very high89.1Confident43 Ų4363.8 Ų63.823%0.22534%0.343CS..SBendtrans-71.5142.5178.9-65.4176.8000111I539 L543 L560 I561 K562 L566 Q571I539-L564 HydrophobicContact CG2-CD1 4.04Å; L543-L564 HydrophobicContact CD1-CD1 4.3Å; L543-L564 HydrophobicContact CD2-CD2 4.32Å; L560-L564 PolarHBondContact O-N 3.46Å; I561-L564 WeakPolarHBondContact O-CB 3.24Å; I561-L564 PolarHBondContact O-N 2.96Å; K562-L564 VanDerWaalsContact C-N 3.31Å; L564-L566 HydrophobicContact CB-CD1 3.97Å; L564-L566 HydrophobicContact CB-CG 4.01Å; L564-L566 HydrophobicContact CD1-CD1 3.89Å; L564-L566 PolarHBondContact O-N 3.06Å; L564-Q571 PolarHBondContact O-NE2 3.38Å
565P90.8Very high88.7Confident133 Ų13365.1 Ų65.186%0.86435%0.351SS*.SBendtrans-75.761.1176.734-37000111.2
566L88.2Confident88Confident63 Ų6363.7 Ų63.733%0.3335%0.346SS..SBendtrans-118.8152.9-179.6-64.3175.3000109.7L564 L570 Q571 L574L564-L566 HydrophobicContact CB-CD1 3.97Å; L564-L566 HydrophobicContact CB-CG 4.01Å; L564-L566 HydrophobicContact CD1-CD1 3.89Å; L564-L566 PolarHBondContact O-N 3.06Å; L566-L570 HydrophobicContact CB-CB 4.29Å; L566-Q571 HydrophobicContact CB-CG 4.02Å; L566-Q571 PolarHBondContact O-NE2 3.47Å; L566-L574 HydrophobicContact CD1-CD1 3.54Å
567A90Very high86.7Confident55 Ų5562.7 Ų62.746%0.45534%0.339SS..  trans-57.3144.3173.700000110.8M569 L570 Q571A567-M569 PolarHBondContact O-N 3.27Å; A567-M569 VanDerWaalsContact O-N 3.11Å; A567-L570 HydrophobicContact CB-CD1 4.42Å; A567-L570 WeakPolarHBondContact O-CA 3.17Å; A567-L570 WeakPolarHBondContact O-CB 3.41Å; A567-L570 PolarHBondContact O-N 3.33Å; A567-Q571 PolarHBondContact O-N 2.91Å
568P89.1Confident85.3Confident101 Ų10164.9 Ų64.966%0.65635%0.349SS*.Hα-helixtrans-52.9-37.9-177.2-29.435.3000114.1L570 Q571 E572P568-L570 VanDerWaalsContact C-N 3.32Å; P568-L570 PolarHBondContact O-N 3.16Å; P568-Q571 WeakPolarHBondContact O-CB 3.33Å; P568-Q571 PolarHBondContact O-N 3.38Å; P568-E572 WeakPolarHBondContact O-CB 3.38Å; P568-E572 PolarHBondContact O-N 2.96Å
569M86.3Confident83.7Confident158 Ų15864.3 Ų64.378%0.77835%0.346SS*.Hα-helixtrans-63.7-35.1176.5-170.3-174.7-178.100112.8A567 Y573A567-M569 PolarHBondContact O-N 3.27Å; A567-M569 VanDerWaalsContact O-N 3.11Å; M569-Y573 WeakPolarHBondContact O-CB 3.4Å; M569-Y573 PolarHBondContact O-N 3.15Å
570L85.8Confident81.5Confident91 Ų9163.3 Ų63.348%0.47634%0.343SS..Hα-helixtrans-74.5-37.5174.5-68.8175.4000111.2L566 A567 P568 Y573 L574L566-L570 HydrophobicContact CB-CB 4.29Å; A567-L570 HydrophobicContact CB-CD1 4.42Å; A567-L570 WeakPolarHBondContact O-CA 3.17Å; A567-L570 WeakPolarHBondContact O-CB 3.41Å; A567-L570 PolarHBondContact O-N 3.33Å; P568-L570 VanDerWaalsContact C-N 3.32Å; P568-L570 PolarHBondContact O-N 3.16Å; L570-Y573 PolarHBondContact O-N 3.24Å; L570-L574 WeakPolarHBondContact O-CG 3.49Å; L570-L574 PolarHBondContact O-N 3.27Å
571Q88Confident79.2Confident38 Ų3874.3 Ų74.318%0.17839%0.391CS..Hα-helixtrans-60.9-48.7172.8-64.7179.2-19.200110.3I561 K562 L564 L566 A567 P568 Y573 L574 L575I561-Q571 HydrophobicContact CG2-CB 4.3Å; K562-Q571 PolarHBondContact O-NE2 3.1Å; L564-Q571 PolarHBondContact O-NE2 3.38Å; L566-Q571 HydrophobicContact CB-CG 4.02Å; L566-Q571 PolarHBondContact O-NE2 3.47Å; A567-Q571 PolarHBondContact O-N 2.91Å; P568-Q571 WeakPolarHBondContact O-CB 3.33Å; P568-Q571 PolarHBondContact O-N 3.38Å; Q571-Y573 VanDerWaalsContact C-N 3.33Å; Q571-Y573 PolarHBondContact O-N 3.47Å; Q571-L574 WeakPolarHBondContact O-CB 3.03Å; Q571-L574 PolarHBondContact O-N 3.37Å; Q571-L574 VanDerWaalsContact O-N 3.07Å; Q571-L575 WeakPolarHBondContact O-CB 3.15Å; Q571-L575 WeakPolarHBondContact O-CG 3.33Å; Q571-L575 PolarHBondContact O-N 3.07Å
572E86.4Confident78.6Confident138 Ų13878.1 Ų78.165%0.64541%0.41SS*.Hα-helixtrans-57.5-44.6176.4-170.4177.1-171.600112P568 L574 L575 D576P568-E572 WeakPolarHBondContact O-CB 3.38Å; P568-E572 PolarHBondContact O-N 2.96Å; E572-L574 VanDerWaalsContact C-N 3.29Å; E572-L574 PolarHBondContact O-N 3.21Å; E572-L575 PolarHBondContact O-N 2.71Å; E572-D576 PolarHBondContact O-N 3.37Å; E572-D576 VanDerWaalsContact O-N 3.09Å
573Y84.2Confident77.9Confident73 Ų7376.9 Ų76.929%0.28641%0.409SS..Hα-helixtrans-58.1-38.1174.4175.1-106000113.5S532 L533 K536 M569 L570 Q571S532-Y573 WeakPolarHBondContact CB-OH 3.27Å; S532-Y573 WeakPolarHBondContact O-CE1 3.5Å; S532-Y573 PolarHBondContact O-OH 3.19Å; L533-Y573 VanDerWaalsContact CA-OH 3.31Å; L533-Y573 WeakPolarHBondContact CA-OH 3.19Å; L533-Y573 PolarHBondContact N-OH 3.11Å; L533-Y573 VanDerWaalsContact N-OH 3.13Å; K536-Y573 HydrophobicContact CB-CE1 3.84Å; K536-Y573 HydrophobicContact CD-CE1 4.13Å; K536-Y573 WeakPolarHBondContact CD-O 3.28Å; K536-Y573 VanDerWaalsContact CE-O 3.29Å; K536-Y573 WeakPolarHBondContact CE-O 3.38Å; K536-Y573 PolarHBondContact NZ-O 3.49Å; M569-Y573 WeakPolarHBondContact O-CB 3.4Å; M569-Y573 PolarHBondContact O-N 3.15Å; L570-Y573 PolarHBondContact O-N 3.24Å; Q571-Y573 VanDerWaalsContact C-N 3.33Å; Q571-Y573 PolarHBondContact O-N 3.47Å
574L83.8Confident77.3Confident4 Ų476.6 Ų76.62%0.02140%0.399CS..Hα-helixtrans-77.8-32.3178.3-69.3171.8000113.2K536 I539 R540 I561 L566 L570 Q571 E572K536-L574 HydrophobicContact CB-CD2 3.9Å; K536-L574 HydrophobicContact CG-CD2 3.96Å; I539-L574 HydrophobicContact CB-CD2 4.14Å; I539-L574 HydrophobicContact CD1-CD1 4.06Å; I539-L574 HydrophobicContact CD1-CD2 3.9Å; I539-L574 HydrophobicContact CG2-CD1 4.04Å; I539-L574 HydrophobicContact CG2-CD2 4.21Å; R540-L574 PolarHBondContact NH1-O 2.68Å; I561-L574 HydrophobicContact CD1-CB 3.96Å; I561-L574 WeakPolarHBondContact CD1-O 3.39Å; I561-L574 HydrophobicContact CG1-CB 4.28Å; I561-L574 HydrophobicContact CG2-CB 3.6Å; I561-L574 HydrophobicContact CG2-CD1 4.13Å; L566-L574 HydrophobicContact CD1-CD1 3.54Å; L570-L574 WeakPolarHBondContact O-CG 3.49Å; L570-L574 PolarHBondContact O-N 3.27Å; Q571-L574 WeakPolarHBondContact O-CB 3.03Å; Q571-L574 PolarHBondContact O-N 3.37Å; Q571-L574 VanDerWaalsContact O-N 3.07Å; E572-L574 VanDerWaalsContact C-N 3.29Å; E572-L574 PolarHBondContact O-N 3.21Å
575L83.2Confident76.5Confident39 Ų3978.5 Ų78.520%0.20441%0.41CS..Hα-helixtrans-70.2-36.8179.8-77.8176000112.9N558 I561 K562 Q571 E572 N577N558-L575 VanDerWaalsContact CA-CD2 3.48Å; N558-L575 HydrophobicContact CB-CD2 3.4Å; N558-L575 PolarHBondContact ND2-O 3.18Å; N558-L575 WeakPolarHBondContact O-CD2 3.11Å; I561-L575 HydrophobicContact CB-CD2 4.12Å; I561-L575 HydrophobicContact CG2-CD2 4.08Å; I561-L575 HydrophobicContact CG2-CG 3.97Å; K562-L575 HydrophobicContact CG-CD1 4.03Å; K562-L575 HydrophobicContact CG-CD2 4.24Å; Q571-L575 WeakPolarHBondContact O-CB 3.15Å; Q571-L575 WeakPolarHBondContact O-CG 3.33Å; Q571-L575 PolarHBondContact O-N 3.07Å; E572-L575 PolarHBondContact O-N 2.71Å; L575-N577 PolarHBondContact O-N 3.2Å
576D74.6Confident75.6Confident69 Ų6975.1 Ų75.137%0.36938%0.381SS..  trans-56130.2173.8-170.71.3000108.7K536 E572 E578K536-D576 WeakPolarHBondContact CE-O 3.48Å; K536-D576 PolarHBondContact NZ-O 3.19Å; E572-D576 PolarHBondContact O-N 3.37Å; E572-D576 VanDerWaalsContact O-N 3.09Å; D576-E578 VanDerWaalsContact C-N 3.26Å; D576-E578 VanDerWaalsContact OD1-CB 3.24Å; D576-E578 WeakPolarHBondContact OD1-CB 3.44Å; D576-E578 WeakPolarHBondContact OD1-CG 3.2Å; D576-E578 PolarHBondContact OD1-N 3.45Å
577N64.7Low74.8Confident8 Ų875.9 Ų75.94%0.04339%0.385CS..  trans-86.6-6.6172.2-78.1-28.2000111.1N443 N447 R540 L575 Y579N443-N577 VanDerWaalsContact CG-ND2 3.32Å; N443-N577 VanDerWaalsContact OD1-CB 3.28Å; N443-N577 WeakPolarHBondContact OD1-CB 3.43Å; N443-N577 PolarHBondContact OD1-ND2 3.07Å; N447-N577 PolarHBondContact OD1-ND2 3.24Å; R540-N577 PolarHBondContact NH1-OD1 3.33Å; R540-N577 PolarHBondContact NH2-OD1 3.46Å; R540-N577 VanDerWaalsContact NH2-OD1 3.11Å; L575-N577 PolarHBondContact O-N 3.2Å; N577-Y579 WeakPolarHBondContact O-CD2 3.3Å; N577-Y579 PolarHBondContact O-N 2.59Å
578E60.8Low73.7Confident45 Ų4577.4 Ų77.421%0.2138%0.38CS..  trans-71.6119.8173.3-58-171.4157.800109.5Y439 K474 K536 D576 L580Y439-E578 WeakPolarHBondContact OH-CG 3.14Å; K474-E578 WeakPolarHBondContact CE-OE1 3.37Å; K474-E578 IonicContact NZ-OE1 3.55Å; K474-E578 PolarHBondContact NZ-OE1 3.1Å; K536-E578 PolarHBondContact NZ-O 3.47Å; D576-E578 VanDerWaalsContact C-N 3.26Å; D576-E578 VanDerWaalsContact OD1-CB 3.24Å; D576-E578 WeakPolarHBondContact OD1-CB 3.44Å; D576-E578 WeakPolarHBondContact OD1-CG 3.2Å; D576-E578 PolarHBondContact OD1-N 3.45Å; E578-L580 HydrophobicContact CB-CB 3.89Å; E578-L580 HydrophobicContact CB-CD1 3.79Å; E578-L580 HydrophobicContact CB-CG 3.96Å; E578-L580 HydrophobicContact CG-CD1 3.87Å; E578-L580 PolarHBondContact O-N 3.33Å; E578-L580 WeakPolarHBondContact OE2-CD1 3.31Å
579Y57.6Low72.5Confident16 Ų1675.6 Ų75.66%0.06336%0.358CS..  trans-85.251159.9-67.2-100.7000107.3N477 A481 E485 L533 K536 V537 N577N477-Y579 PolarHBondContact ND2-O 3.19Å; A481-Y579 HydrophobicContact CB-CD2 3.71Å; A481-Y579 HydrophobicContact CB-CE2 3.03Å; A481-Y579 VanDerWaalsContact CB-CZ 3.48Å; E485-Y579 PolarHBondContact OE1-OH 2.78Å; L533-Y579 HydrophobicContact CD1-CD1 3.56Å; L533-Y579 HydrophobicContact CD1-CG 4.22Å; L533-Y579 HydrophobicContact CG-CD1 4.25Å; K536-Y579 HydrophobicContact CD-CE1 4.44Å; K536-Y579 HydrophobicContact CG-CE1 4.43Å; V537-Y579 HydrophobicContact CG2-CD1 4.35Å; V537-Y579 HydrophobicContact CG2-CE1 3.53Å; N577-Y579 WeakPolarHBondContact O-CD2 3.3Å; N577-Y579 PolarHBondContact O-N 2.59Å
580L44.3Very low71.4Confident72 Ų7268.8 Ų68.838%0.37732%0.323SS..  trans-99.9132.6-178.5-81.7167.5000109.8K474 E578K474-L580 HydrophobicContact CG-CD1 4.24Å; E578-L580 HydrophobicContact CB-CB 3.89Å; E578-L580 HydrophobicContact CB-CD1 3.79Å; E578-L580 HydrophobicContact CB-CG 3.96Å; E578-L580 HydrophobicContact CG-CD1 3.87Å; E578-L580 PolarHBondContact O-N 3.33Å; E578-L580 WeakPolarHBondContact OE2-CD1 3.31Å
581K43.2Very low70.1Confident232 Ų23266.7 Ų66.7100%1.00931%0.309SS*.  trans890-177.9-61.5-176.5178175.50117R530R530-K581 PolarHBondContact NH1-O 2.63Å

Retrieved 581 of 581 residues in 500.4 ms (Link to these results)

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