A0A087X8K2_POEFO Loading...

Aquaporin-4

AlphaFold DB , UniProt , Accession A0A087X8K2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 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
1M46.4Very low71.6Confident225 Ų225120.6 Ų120.6100%1.10862%0.616SS**  0390-144.1179.3-7000112.2
2V59.9Low73.4Confident123 Ų123111.8 Ų111.875%0.74557%0.57SS**  trans-94.6-24.4-172.7-177.10000112.6F4 K5V2-F4 VanDerWaalsContact C-N 3.27Å; V2-F4 PolarHBondContact O-N 3.07Å; V2-K5 WeakPolarHBondContact O-CB 3.45Å; V2-K5 PolarHBondContact O-N 3.46Å
3A56.3Low75.1Confident61 Ų61111.8 Ų111.850%0.50456%0.559SS.*THydrogen-bonded Turntrans-63.2-25.6-174.500000114.8A88A3-A88 WeakPolarHBondContact O-CB 3.19Å
4F61.7Low76.6Confident140 Ų140114.2 Ų114.261%0.61456%0.558SS**THydrogen-bonded Turntrans-98.53-176.7-67.9-95.1000113.9V2 G6 I7V2-F4 VanDerWaalsContact C-N 3.27Å; V2-F4 PolarHBondContact O-N 3.07Å; F4-G6 PolarHBondContact O-N 3.35Å; F4-I7 HydrophobicContact CB-CD1 3.77Å; F4-I7 HydrophobicContact CD1-CD1 3.28Å; F4-I7 HydrophobicContact CE1-CD1 4.16Å; F4-I7 HydrophobicContact CG-CD1 3.88Å; F4-I7 PolarHBondContact O-N 3.36Å
5K61.3Low77.9Confident189 Ų189106.6 Ų106.682%0.82252%0.521SS*.THydrogen-bonded Turntrans-67.3119.1-177.7-159.8175.3-176.8179.90109.5V2V2-K5 WeakPolarHBondContact O-CB 3.45Å; V2-K5 PolarHBondContact O-N 3.46Å
6G67.6Low79.1Confident33 Ų33100.8 Ų100.834%0.3449%0.494SS..THydrogen-bonded Turntrans970.1175.200000116.7F4 W8 T9 F12F4-G6 PolarHBondContact O-N 3.35Å; G6-W8 PolarHBondContact O-N 3.25Å; G6-T9 WeakPolarHBondContact O-CB 3.13Å; G6-T9 WeakPolarHBondContact O-CG2 3.49Å; G6-T9 PolarHBondContact O-N 2.97Å; G6-T9 VanDerWaalsContact O-N 3.1Å; G6-T9 PolarHBondContact O-OG1 3.41Å; G6-F12 WeakPolarHBondContact O-CB 3.32Å
7I81.1Confident80.2Confident11 Ų1198.8 Ų98.86%0.05649%0.492CS..THydrogen-bonded Turntrans-60-31.5175.6-69.2167.6000111.7F4 T9 F12 W13 A88 F92F4-I7 HydrophobicContact CB-CD1 3.77Å; F4-I7 HydrophobicContact CD1-CD1 3.28Å; F4-I7 HydrophobicContact CE1-CD1 4.16Å; F4-I7 HydrophobicContact CG-CD1 3.88Å; F4-I7 PolarHBondContact O-N 3.36Å; I7-T9 PolarHBondContact O-N 3.48Å; I7-F12 HydrophobicContact CB-CE1 4.34Å; I7-F12 HydrophobicContact CB-CZ 4.38Å; I7-F12 HydrophobicContact CG1-CE1 4.43Å; I7-F12 HydrophobicContact CG1-CE2 4.04Å; I7-F12 HydrophobicContact CG1-CZ 3.98Å; I7-F12 HydrophobicContact CG2-CD1 4.21Å; I7-F12 HydrophobicContact CG2-CE1 3.8Å; I7-F12 HydrophobicContact CG2-CZ 4.15Å; I7-F12 WeakPolarHBondContact O-CD1 3.4Å; I7-W13 HydrophobicContact CG2-CZ2 4.29Å; I7-W13 PolarHBondContact O-NE1 3.24Å; I7-A88 HydrophobicContact CD1-CB 4.18Å; I7-F92 HydrophobicContact CD1-CE2 4.13Å; I7-F92 HydrophobicContact CG2-CE2 4.35Å; I7-F92 HydrophobicContact CG2-CZ 4.33Å
8W81.8Confident81.2Confident224 Ų22493.5 Ų93.585%0.84847%0.467SS*.THydrogen-bonded Turntrans-81.45.8180-56.3106.3000114.1G6G6-W8 PolarHBondContact O-N 3.25Å
9T89.6Confident82.1Confident66 Ų6688.6 Ų88.641%0.40544%0.442SS..SBendtrans-81.4147.6-179.8640000111.7G6 I7 S11 F12 W13G6-T9 WeakPolarHBondContact O-CB 3.13Å; G6-T9 WeakPolarHBondContact O-CG2 3.49Å; G6-T9 PolarHBondContact O-N 2.97Å; G6-T9 VanDerWaalsContact O-N 3.1Å; G6-T9 PolarHBondContact O-OG1 3.41Å; I7-T9 PolarHBondContact O-N 3.48Å; T9-S11 PolarHBondContact O-N 3.47Å; T9-F12 WeakPolarHBondContact O-CB 3.44Å; T9-F12 PolarHBondContact O-N 3.21Å; T9-F12 VanDerWaalsContact OG1-CB 3.26Å; T9-F12 WeakPolarHBondContact OG1-CB 3.26Å; T9-F12 PolarHBondContact OG1-N 3.19Å; T9-W13 PolarHBondContact O-N 3.26Å
10K91Very high82.9Confident170 Ų17088.5 Ų88.574%0.73944%0.437SS*.Hα-helixtrans-58.4-37.7174.1-172.6176.6-178177.70112.1R14K10-R14 HydrophobicContact CG-CG 4.43Å; K10-R14 WeakPolarHBondContact O-CB 3.21Å; K10-R14 WeakPolarHBondContact O-CG 3.39Å; K10-R14 PolarHBondContact O-N 2.89Å
11S90.8Very high83.7Confident85 Ų8588.3 Ų88.359%0.59444%0.437SS*.Hα-helixtrans-62.6-42.6177.3176.30000111.7T9 R14 A15T9-S11 PolarHBondContact O-N 3.47Å; S11-R14 PolarHBondContact O-N 3.01Å; S11-A15 WeakPolarHBondContact O-CB 3.42Å; S11-A15 PolarHBondContact O-N 3.35Å
12F93.4Very high86.1Confident14 Ų1477.6 Ų77.66%0.06139%0.385CS..Hα-helixtrans-58.5-53.4177-179.8-88.1000111.9G6 I7 T9 R14 A15 V16 K89 F92G6-F12 WeakPolarHBondContact O-CB 3.32Å; I7-F12 HydrophobicContact CB-CE1 4.34Å; I7-F12 HydrophobicContact CB-CZ 4.38Å; I7-F12 HydrophobicContact CG1-CE1 4.43Å; I7-F12 HydrophobicContact CG1-CE2 4.04Å; I7-F12 HydrophobicContact CG1-CZ 3.98Å; I7-F12 HydrophobicContact CG2-CD1 4.21Å; I7-F12 HydrophobicContact CG2-CE1 3.8Å; I7-F12 HydrophobicContact CG2-CZ 4.15Å; I7-F12 WeakPolarHBondContact O-CD1 3.4Å; T9-F12 WeakPolarHBondContact O-CB 3.44Å; T9-F12 PolarHBondContact O-N 3.21Å; T9-F12 VanDerWaalsContact OG1-CB 3.26Å; T9-F12 WeakPolarHBondContact OG1-CB 3.26Å; T9-F12 PolarHBondContact OG1-N 3.19Å; F12-R14 PolarHBondContact O-N 3.28Å; F12-A15 WeakPolarHBondContact O-CB 3.3Å; F12-A15 PolarHBondContact O-N 3.25Å; F12-A15 VanDerWaalsContact O-N 3.11Å; F12-V16 HydrophobicContact CD1-CG2 4.05Å; F12-V16 HydrophobicContact CE1-CG2 3.65Å; F12-V16 HydrophobicContact CZ-CG2 3.98Å; F12-V16 WeakPolarHBondContact O-CG2 3.1Å; F12-V16 PolarHBondContact O-N 2.77Å; F12-K89 HydrophobicContact CD2-CD 4.19Å; F12-K89 HydrophobicContact CD2-CG 4.16Å; F12-K89 HydrophobicContact CE2-CB 3.79Å; F12-K89 HydrophobicContact CE2-CD 4.23Å; F12-K89 HydrophobicContact CE2-CG 3.7Å; F12-F92 HydrophobicContact CE1-CB 4.38Å; F12-F92 HydrophobicContact CE1-CD1 4.37Å; F12-F92 HydrophobicContact CE1-CD2 4.26Å; F12-F92 HydrophobicContact CE1-CG 4.09Å; F12-F92 HydrophobicContact CZ-CB 3.88Å; F12-F92 HydrophobicContact CZ-CD1 4.45Å; F12-F92 AromaticContact CZ-CD2 3.64Å; F12-F92 HydrophobicContact CZ-CD2 3.64Å; F12-F92 HydrophobicContact CZ-CE2 4.29Å; F12-F92 AromaticContact CZ-CG 3.74Å; F12-F92 HydrophobicContact CZ-CG 3.74Å
13W95.1Very high88Confident112 Ų11271.9 Ų71.942%0.42435%0.35SS..Hα-helixtrans-68.2-33.1-178.3-71.8106.3000113.3I7 T9 A15 V16 S17 F92I7-W13 HydrophobicContact CG2-CZ2 4.29Å; I7-W13 PolarHBondContact O-NE1 3.24Å; T9-W13 PolarHBondContact O-N 3.26Å; W13-A15 VanDerWaalsContact C-N 3.27Å; W13-A15 PolarHBondContact O-N 3.1Å; W13-V16 HydrophobicContact CE3-CB 4.4Å; W13-V16 HydrophobicContact CE3-CG1 4.42Å; W13-V16 HydrophobicContact CZ3-CG1 4.44Å; W13-V16 PolarHBondContact O-N 3.28Å; W13-S17 WeakPolarHBondContact O-CB 3.3Å; W13-S17 PolarHBondContact O-N 3.18Å; W13-S17 PolarHBondContact O-OG 3.32Å; W13-S17 VanDerWaalsContact O-OG 3.09Å; W13-F92 HydrophobicContact CH2-CD1 4.25Å; W13-F92 AromaticContact CH2-CE1 3.85Å; W13-F92 HydrophobicContact CH2-CE1 3.85Å; W13-F92 HydrophobicContact CZ3-CD1 4.44Å; W13-F92 HydrophobicContact CZ3-CE1 4.46Å
14R95.8Very high90Very high146 Ų14669.6 Ų69.655%0.55133%0.33SS*.Hα-helixtrans-59.7-40.3170.3-77.1175.270.1170.74.7111.8K10 S11 F12 S17 G18K10-R14 HydrophobicContact CG-CG 4.43Å; K10-R14 WeakPolarHBondContact O-CB 3.21Å; K10-R14 WeakPolarHBondContact O-CG 3.39Å; K10-R14 PolarHBondContact O-N 2.89Å; S11-R14 PolarHBondContact O-N 3.01Å; F12-R14 PolarHBondContact O-N 3.28Å; R14-S17 WeakPolarHBondContact CA-OG 3.42Å; R14-S17 PolarHBondContact O-OG 2.87Å; R14-G18 PolarHBondContact O-N 3.39Å
15A96.2Very high91.8Very high0 Ų064.9 Ų64.90%031%0.312CS..Hα-helixtrans-69.3-45.117900000111.6S11 F12 W13 G18 E19 S67 Y93S11-A15 WeakPolarHBondContact O-CB 3.42Å; S11-A15 PolarHBondContact O-N 3.35Å; F12-A15 WeakPolarHBondContact O-CB 3.3Å; F12-A15 PolarHBondContact O-N 3.25Å; F12-A15 VanDerWaalsContact O-N 3.11Å; W13-A15 VanDerWaalsContact C-N 3.27Å; W13-A15 PolarHBondContact O-N 3.1Å; A15-G18 WeakPolarHBondContact O-CA 3.36Å; A15-G18 PolarHBondContact O-N 3.39Å; A15-G18 VanDerWaalsContact O-N 3.15Å; A15-E19 PolarHBondContact O-N 3.29Å; A15-S67 VanDerWaalsContact O-CB 3.27Å; A15-S67 WeakPolarHBondContact O-CB 3.42Å; A15-Y93 HydrophobicContact CB-CE1 4.15Å; A15-Y93 VanDerWaalsContact CB-OH 3.32Å; A15-Y93 WeakPolarHBondContact CB-OH 3.32Å
16V97.5Very high93.5Very high14 Ų1456.1 Ų56.19%0.08527%0.274CS..Hα-helixtrans-61.4-44.4175.4176.20000111.4F12 W13 G18 E19 Y20 F92 Y93 A96F12-V16 HydrophobicContact CD1-CG2 4.05Å; F12-V16 HydrophobicContact CE1-CG2 3.65Å; F12-V16 HydrophobicContact CZ-CG2 3.98Å; F12-V16 WeakPolarHBondContact O-CG2 3.1Å; F12-V16 PolarHBondContact O-N 2.77Å; W13-V16 HydrophobicContact CE3-CB 4.4Å; W13-V16 HydrophobicContact CE3-CG1 4.42Å; W13-V16 HydrophobicContact CZ3-CG1 4.44Å; W13-V16 PolarHBondContact O-N 3.28Å; V16-G18 VanDerWaalsContact C-N 3.27Å; V16-G18 PolarHBondContact O-N 3.28Å; V16-E19 PolarHBondContact O-N 2.85Å; V16-Y20 PolarHBondContact O-N 3.16Å; V16-F92 HydrophobicContact CG2-CB 3.93Å; V16-Y93 HydrophobicContact CG2-CD1 4.16Å; V16-Y93 HydrophobicContact CG2-CE1 4.16Å; V16-A96 HydrophobicContact CG1-CB 3.84Å
17S97.8Very high95Very high67 Ų6754.7 Ų54.747%0.46926%0.259SS..Hα-helixtrans-65.1-32.3175.162.70000112.5W13 R14 Y20 L21W13-S17 WeakPolarHBondContact O-CB 3.3Å; W13-S17 PolarHBondContact O-N 3.18Å; W13-S17 PolarHBondContact O-OG 3.32Å; W13-S17 VanDerWaalsContact O-OG 3.09Å; R14-S17 WeakPolarHBondContact CA-OG 3.42Å; R14-S17 PolarHBondContact O-OG 2.87Å; S17-Y20 PolarHBondContact O-N 3.21Å; S17-L21 WeakPolarHBondContact O-CB 3.34Å; S17-L21 PolarHBondContact O-N 3.39Å
18G97.9Very high95.8Very high3 Ų356.2 Ų56.23%0.03127%0.267CS..Hα-helixtrans-63.4-47.5174.200000111.9R14 A15 V16 Y20 L21 A22R14-G18 PolarHBondContact O-N 3.39Å; A15-G18 WeakPolarHBondContact O-CA 3.36Å; A15-G18 PolarHBondContact O-N 3.39Å; A15-G18 VanDerWaalsContact O-N 3.15Å; V16-G18 VanDerWaalsContact C-N 3.27Å; V16-G18 PolarHBondContact O-N 3.28Å; G18-Y20 VanDerWaalsContact C-N 3.34Å; G18-Y20 PolarHBondContact O-N 3.02Å; G18-L21 PolarHBondContact O-N 2.95Å; G18-A22 WeakPolarHBondContact O-CB 3.47Å; G18-A22 PolarHBondContact O-N 3.41Å
19E98.4Very high96.6Very high0 Ų050 Ų500%025%0.25CC..Hα-helixtrans-61.3-41.2175.3-70.9-63131.100112.7A15 V16 S23 S67 G69 H70 I71 Y93 A96 Q97A15-E19 PolarHBondContact O-N 3.29Å; V16-E19 PolarHBondContact O-N 2.85Å; E19-S23 VanDerWaalsContact O-CB 3.29Å; E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 3.09Å; E19-S23 PolarHBondContact O-OG 3.43Å; E19-S67 WeakPolarHBondContact OE1-CB 3.39Å; E19-S67 PolarHBondContact OE1-OG 2.97Å; E19-G69 WeakPolarHBondContact OE1-CA 3.46Å; E19-G69 PolarHBondContact OE1-N 3.11Å; E19-H70 PolarHBondContact OE1-N 3.03Å; E19-H70 WeakPolarHBondContact OE2-CB 3.46Å; E19-H70 PolarHBondContact OE2-N 3.44Å; E19-I71 PolarHBondContact OE2-N 3.44Å; E19-Y93 HydrophobicContact CG-CD1 3.93Å; E19-Y93 HydrophobicContact CG-CD2 3.59Å; E19-Y93 HydrophobicContact CG-CE1 3.95Å; E19-Y93 HydrophobicContact CG-CE2 3.61Å; E19-Y93 HydrophobicContact CG-CG 3.75Å; E19-A96 HydrophobicContact CB-CB 4.3Å; E19-Q97 HydrophobicContact CB-CG 4.32Å; E19-Q97 PolarHBondContact OE2-NE2 3.46Å
20Y98.7Very high96.9Very high86 Ų8646.9 Ų46.934%0.33723%0.23SC..Hα-helixtrans-59.5-57.8174.1170.4-96.9000111.1V16 S17 G18 A22 S23 V24 L99 T103V16-Y20 PolarHBondContact O-N 3.16Å; S17-Y20 PolarHBondContact O-N 3.21Å; G18-Y20 VanDerWaalsContact C-N 3.34Å; G18-Y20 PolarHBondContact O-N 3.02Å; Y20-A22 PolarHBondContact O-N 3.43Å; Y20-S23 WeakPolarHBondContact O-CB 3.38Å; Y20-S23 PolarHBondContact O-N 3.27Å; Y20-S23 VanDerWaalsContact O-N 3.11Å; Y20-V24 HydrophobicContact CD1-CG2 4.26Å; Y20-V24 HydrophobicContact CE1-CG2 3.85Å; Y20-V24 HydrophobicContact CE2-CG2 4.15Å; Y20-V24 WeakPolarHBondContact O-CG2 3.5Å; Y20-V24 PolarHBondContact O-N 3.22Å; Y20-L99 HydrophobicContact CD2-CB 4.09Å; Y20-L99 HydrophobicContact CE2-CB 4.07Å; Y20-T103 PolarHBondContact OH-OG1 2.91Å
21L98.6Very high97.2Very high86 Ų8638.8 Ų38.845%0.4520%0.195SC..Hα-helixtrans-64.3-41.2-174.4-179.458.5000112S17 G18 S23 V24 V25 F63S17-L21 WeakPolarHBondContact O-CB 3.34Å; S17-L21 PolarHBondContact O-N 3.39Å; G18-L21 PolarHBondContact O-N 2.95Å; L21-S23 VanDerWaalsContact C-N 3.28Å; L21-S23 PolarHBondContact O-N 2.87Å; L21-V24 WeakPolarHBondContact O-CB 3.33Å; L21-V24 PolarHBondContact O-N 3.09Å; L21-V25 HydrophobicContact CD1-CG2 4.34Å; L21-V25 WeakPolarHBondContact O-CG2 3.26Å; L21-V25 PolarHBondContact O-N 3.21Å; L21-F63 HydrophobicContact CB-CZ 4.3Å; L21-F63 HydrophobicContact CD2-CE1 4.24Å; L21-F63 HydrophobicContact CD2-CZ 3.8Å; L21-F63 HydrophobicContact CG-CZ 3.99Å
22A98.5Very high97.4Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-60.6-39.917500000111.6G18 Y20 F26 M59 F63 I71G18-A22 WeakPolarHBondContact O-CB 3.47Å; G18-A22 PolarHBondContact O-N 3.41Å; Y20-A22 PolarHBondContact O-N 3.43Å; A22-F26 WeakPolarHBondContact O-CB 3.32Å; A22-F26 PolarHBondContact O-N 3.18Å; A22-M59 HydrophobicContact CB-CB 4.29Å; A22-M59 HydrophobicContact CB-SD 4.48Å; A22-F63 HydrophobicContact CB-CB 4.43Å; A22-F63 HydrophobicContact CB-CD2 3.64Å; A22-F63 HydrophobicContact CB-CE2 4.04Å; A22-F63 HydrophobicContact CB-CG 4.03Å; A22-I71 HydrophobicContact CB-CD1 3.8Å; A22-I71 HydrophobicContact CB-CG1 3.63Å
23S98.6Very high97.4Very high2 Ų236 Ų361%0.01418%0.182CC..Hα-helixtrans-69.6-36.3176.3-56.40000112.8E19 Y20 L21 V27 Q97E19-S23 VanDerWaalsContact O-CB 3.29Å; E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 3.09Å; E19-S23 PolarHBondContact O-OG 3.43Å; Y20-S23 WeakPolarHBondContact O-CB 3.38Å; Y20-S23 PolarHBondContact O-N 3.27Å; Y20-S23 VanDerWaalsContact O-N 3.11Å; L21-S23 VanDerWaalsContact C-N 3.28Å; L21-S23 PolarHBondContact O-N 2.87Å; S23-V27 WeakPolarHBondContact O-CB 3.5Å; S23-V27 WeakPolarHBondContact O-CG2 3.44Å; S23-V27 PolarHBondContact O-N 3.46Å; S23-Q97 WeakPolarHBondContact OG-CA 3.25Å
24V98.8Very high97.3Very high13 Ų1332 Ų328%0.07917%0.17CC..Hα-helixtrans-57.3-54.9172.3174.30000110.2Y20 L21 L28 G100 T103 I107Y20-V24 HydrophobicContact CD1-CG2 4.26Å; Y20-V24 HydrophobicContact CE1-CG2 3.85Å; Y20-V24 HydrophobicContact CE2-CG2 4.15Å; Y20-V24 WeakPolarHBondContact O-CG2 3.5Å; Y20-V24 PolarHBondContact O-N 3.22Å; L21-V24 WeakPolarHBondContact O-CB 3.33Å; L21-V24 PolarHBondContact O-N 3.09Å; V24-L28 WeakPolarHBondContact O-CB 3.34Å; V24-L28 PolarHBondContact O-N 3.34Å; V24-G100 WeakPolarHBondContact CA-O 3.3Å; V24-G100 WeakPolarHBondContact CG2-O 3.27Å; V24-T103 HydrophobicContact CG2-CG2 4.24Å; V24-I107 HydrophobicContact CG1-CD1 4.12Å
25V98.5Very high97.1Very high41 Ų4125.7 Ų25.725%0.24815%0.146CC..Hα-helixtrans-66.2-46.1-175.3175.70000110.7L21 V27 L28 L29 M59L21-V25 HydrophobicContact CD1-CG2 4.34Å; L21-V25 WeakPolarHBondContact O-CG2 3.26Å; L21-V25 PolarHBondContact O-N 3.21Å; V25-V27 PolarHBondContact O-N 3.38Å; V25-L28 PolarHBondContact O-N 2.96Å; V25-L29 HydrophobicContact CG1-CD1 3.73Å; V25-L29 HydrophobicContact CG1-CG 4.28Å; V25-L29 WeakPolarHBondContact O-CB 2.95Å; V25-L29 WeakPolarHBondContact O-CG 3.32Å; V25-L29 PolarHBondContact O-N 3.36Å; V25-M59 HydrophobicContact CB-SD 3.72Å; V25-M59 HydrophobicContact CG1-CE 3.82Å; V25-M59 HydrophobicContact CG1-SD 3.66Å; V25-M59 HydrophobicContact CG2-SD 4.44Å
26F98.6Very high96.6Very high6 Ų628.4 Ų28.43%0.02616%0.161CC..Hα-helixtrans-56-51.9177.4164.4-119000111.6A22 S30 F52 I56 M59 I71 R191A22-F26 WeakPolarHBondContact O-CB 3.32Å; A22-F26 PolarHBondContact O-N 3.18Å; F26-S30 WeakPolarHBondContact CD2-OG 3.35Å; F26-S30 VanDerWaalsContact CE2-OG 3.24Å; F26-S30 WeakPolarHBondContact CE2-OG 3.41Å; F26-S30 WeakPolarHBondContact O-CB 3.45Å; F26-S30 PolarHBondContact O-N 3.04Å; F26-S30 PolarHBondContact O-OG 3.29Å; F26-F52 AromaticContact CE2-CD1 3.8Å; F26-F52 HydrophobicContact CE2-CD1 3.8Å; F26-F52 HydrophobicContact CE2-CE1 4.34Å; F26-F52 AromaticContact CZ-CD1 3.88Å; F26-F52 HydrophobicContact CZ-CD1 3.88Å; F26-F52 HydrophobicContact CZ-CE1 4.16Å; F26-I56 HydrophobicContact CD1-CD1 4.09Å; F26-I56 HydrophobicContact CD2-CD1 3.55Å; F26-I56 HydrophobicContact CD2-CG1 3.75Å; F26-I56 HydrophobicContact CE1-CD1 4.11Å; F26-I56 HydrophobicContact CE2-CD1 3.61Å; F26-I56 HydrophobicContact CE2-CG1 3.53Å; F26-I56 HydrophobicContact CG-CD1 3.82Å; F26-I56 HydrophobicContact CZ-CD1 3.9Å; F26-I56 HydrophobicContact CZ-CG1 4.12Å; F26-M59 HydrophobicContact CB-CG 4.43Å; F26-I71 HydrophobicContact CB-CG2 3.99Å; F26-I71 HydrophobicContact CD1-CG2 3.82Å; F26-I71 HydrophobicContact CG-CG2 4.09Å; F26-R191 HydrophobicContact CE1-CB 3.96Å; F26-R191 HydrophobicContact CE1-CG 4.1Å; F26-R191 HydrophobicContact CZ-CB 4.45Å; F26-R191 HydrophobicContact CZ-CG 4.17Å
27V98.6Very high96Very high2 Ų234.7 Ų34.71%0.01218%0.183CC..Hα-helixtrans-69.4-41.2-176.7172.90000111.4S23 V25 L31 A101 A105S23-V27 WeakPolarHBondContact O-CB 3.5Å; S23-V27 WeakPolarHBondContact O-CG2 3.44Å; S23-V27 PolarHBondContact O-N 3.46Å; V25-V27 PolarHBondContact O-N 3.38Å; V27-L31 HydrophobicContact CG1-CD1 3.4Å; V27-L31 VanDerWaalsContact CG1-CD1 3.4Å; V27-L31 HydrophobicContact CG1-CG 3.91Å; V27-L31 WeakPolarHBondContact O-CB 3.4Å; V27-L31 WeakPolarHBondContact O-CG 3.17Å; V27-L31 PolarHBondContact O-N 3.18Å; V27-A101 WeakPolarHBondContact CG1-O 3.35Å; V27-A101 HydrophobicContact CG2-CB 3.77Å; V27-A105 HydrophobicContact CG1-CB 4.15Å
28L98.3Very high95.1Very high43 Ų4337.3 Ų37.323%0.22519%0.188CC..Hα-helixtrans-57.2-54.8177.4173.760000112V24 V25 G32 I107 L108V24-L28 WeakPolarHBondContact O-CB 3.34Å; V24-L28 PolarHBondContact O-N 3.34Å; V25-L28 PolarHBondContact O-N 2.96Å; L28-G32 PolarHBondContact O-N 3.49Å; L28-I107 HydrophobicContact CD1-CB 4.19Å; L28-I107 HydrophobicContact CD1-CG2 3.8Å; L28-I107 HydrophobicContact CD2-CG2 4.04Å; L28-L108 HydrophobicContact CD1-CB 3.82Å; L28-L108 HydrophobicContact CD1-CD1 4.33Å
29L97.6Very high93.6Very high94 Ų9442.5 Ų42.549%0.49223%0.231SC..Hα-helixtrans-70-45.3-175.3-63.6-179.8000111.4V25 G32 S33V25-L29 HydrophobicContact CG1-CD1 3.73Å; V25-L29 HydrophobicContact CG1-CG 4.28Å; V25-L29 WeakPolarHBondContact O-CB 2.95Å; V25-L29 WeakPolarHBondContact O-CG 3.32Å; V25-L29 PolarHBondContact O-N 3.36Å; L29-G32 PolarHBondContact O-N 2.97Å; L29-S33 PolarHBondContact O-N 3.27Å; L29-S33 VanDerWaalsContact O-N 3.17Å
30S97Very high92Very high0 Ų046.6 Ų46.60%027%0.272CS..Hα-helixtrans-68.4-44.8-175.4-48.80000111.8F26 G32 S33 F52F26-S30 WeakPolarHBondContact CD2-OG 3.35Å; F26-S30 VanDerWaalsContact CE2-OG 3.24Å; F26-S30 WeakPolarHBondContact CE2-OG 3.41Å; F26-S30 WeakPolarHBondContact O-CB 3.45Å; F26-S30 PolarHBondContact O-N 3.04Å; F26-S30 PolarHBondContact O-OG 3.29Å; S30-G32 VanDerWaalsContact C-N 3.28Å; S30-G32 PolarHBondContact O-N 3.24Å; S30-S33 WeakPolarHBondContact O-CB 3.37Å; S30-S33 PolarHBondContact O-N 2.93Å; S30-S33 PolarHBondContact O-OG 3.21Å; S30-F52 VanDerWaalsContact CB-CD1 3.48Å; S30-F52 WeakPolarHBondContact O-CE2 3.31Å
31L96.5Very high90.7Very high0 Ų048.7 Ų48.70%029%0.285CS..Hα-helixtrans-66.1-33.6173.7-63.7-177.2000111.8V27 S33 T34 F52 A105 L108 G121 P195V27-L31 HydrophobicContact CG1-CD1 3.4Å; V27-L31 VanDerWaalsContact CG1-CD1 3.4Å; V27-L31 HydrophobicContact CG1-CG 3.91Å; V27-L31 WeakPolarHBondContact O-CB 3.4Å; V27-L31 WeakPolarHBondContact O-CG 3.17Å; V27-L31 PolarHBondContact O-N 3.18Å; L31-S33 PolarHBondContact O-N 2.94Å; L31-T34 WeakPolarHBondContact O-CB 3.47Å; L31-T34 PolarHBondContact O-N 3.49Å; L31-T34 PolarHBondContact O-OG1 2.9Å; L31-F52 HydrophobicContact CD2-CZ 4.3Å; L31-A105 HydrophobicContact CD1-CB 3.98Å; L31-L108 HydrophobicContact CB-CD2 3.36Å; L31-G121 WeakPolarHBondContact CD2-O 3.22Å; L31-P195 HydrophobicContact CD1-CB 3.77Å; L31-P195 HydrophobicContact CD1-CG 3.83Å; L31-P195 HydrophobicContact CD2-CG 4.29Å
32G94.8Very high89.4Confident23 Ų2353.7 Ų53.724%0.23731%0.306CS..Hα-helixtrans-56.4-36.4174.800000112.7L28 L29 S30 T34 I35L28-G32 PolarHBondContact O-N 3.49Å; L29-G32 PolarHBondContact O-N 2.97Å; S30-G32 VanDerWaalsContact C-N 3.28Å; S30-G32 PolarHBondContact O-N 3.24Å; G32-T34 PolarHBondContact O-N 2.9Å; G32-I35 WeakPolarHBondContact O-CB 3.2Å; G32-I35 PolarHBondContact O-N 3.39Å
33S93.8Very high88.4Confident19 Ų1957.3 Ų57.313%0.13333%0.329CS..THydrogen-bonded Turntrans-66.7-17.5175.580.40000114.5L29 S30 L31 C51L29-S33 PolarHBondContact O-N 3.27Å; L29-S33 VanDerWaalsContact O-N 3.17Å; S30-S33 WeakPolarHBondContact O-CB 3.37Å; S30-S33 PolarHBondContact O-N 2.93Å; S30-S33 PolarHBondContact O-OG 3.21Å; L31-S33 PolarHBondContact O-N 2.94Å; S33-C51 VanDerWaalsContact CB-SG 3.59Å
34T92.8Very high87.9Confident28 Ų2861.5 Ų61.517%0.17235%0.351CS..THydrogen-bonded Turntrans-88.9-9.5177.973.20000112.9L31 G32 N36 I48 F52 G121L31-T34 WeakPolarHBondContact O-CB 3.47Å; L31-T34 PolarHBondContact O-N 3.49Å; L31-T34 PolarHBondContact O-OG1 2.9Å; G32-T34 PolarHBondContact O-N 2.9Å; T34-N36 PolarHBondContact O-N 2.88Å; T34-I48 HydrophobicContact CG2-CD1 4.44Å; T34-I48 HydrophobicContact CG2-CG1 4.4Å; T34-I48 HydrophobicContact CG2-CG2 4.1Å; T34-F52 HydrophobicContact CG2-CE2 3.94Å; T34-F52 HydrophobicContact CG2-CZ 4.43Å; T34-G121 VanDerWaalsContact OG1-CA 3.26Å; T34-G121 WeakPolarHBondContact OG1-CA 3.18Å
35I91.6Very high87.5Confident12 Ų1264.1 Ų64.16%0.06236%0.363CS..  trans-75.8121.6178.9-58.2-57.3000108.8G32 W37 L108 T112 V116G32-I35 WeakPolarHBondContact O-CB 3.2Å; G32-I35 PolarHBondContact O-N 3.39Å; I35-W37 PolarHBondContact O-N 3.05Å; I35-L108 HydrophobicContact CG1-CD2 4.43Å; I35-T112 HydrophobicContact CD1-CG2 4.4Å; I35-T112 HydrophobicContact CG1-CG2 4.37Å; I35-T112 HydrophobicContact CG2-CG2 3.86Å; I35-V116 HydrophobicContact CG2-CB 4.36Å; I35-V116 HydrophobicContact CG2-CG2 4.27Å
36N85.9Confident87.3Confident57 Ų5765.6 Ų65.631%0.30537%0.372SS..  trans-87.9103177.4-167.4-10.3000110.5T34 H38 E41 T43T34-N36 PolarHBondContact O-N 2.88Å; N36-H38 PolarHBondContact OD1-N 3.09Å; N36-H38 PolarHBondContact OD1-O 3.26Å; N36-E41 PolarHBondContact ND2-O 3.08Å; N36-T43 HydrophobicContact CB-CG2 4.36Å
37W85.4Confident87.2Confident146 Ų14669.6 Ų69.655%0.55339%0.393SS*.  trans-79.8-17.1178.3-69.588.7000113.6I35 P113 V116I35-W37 PolarHBondContact O-N 3.05Å; W37-P113 HydrophobicContact CH2-CG 4.32Å; W37-P113 HydrophobicContact CZ3-CG 4.25Å; W37-V116 HydrophobicContact CE3-CG2 4.15Å; W37-V116 HydrophobicContact CH2-CG2 4.46Å; W37-V116 HydrophobicContact CZ3-CG2 4.11Å
38H79.4Confident87Confident123 Ų12370.2 Ų70.257%0.56940%0.396SS*.SBendtrans-113.696.8-176.9-61.690.1000109.4N36 G40 E41N36-H38 PolarHBondContact OD1-N 3.09Å; N36-H38 PolarHBondContact OD1-O 3.26Å; H38-G40 PolarHBondContact O-N 2.85Å; H38-G40 VanDerWaalsContact O-N 3.08Å; H38-E41 HydrophobicContact CB-CG 4.49Å; H38-E41 PolarHBondContact O-N 3.1Å
39A65.9Low87Confident112 Ų11268.2 Ų68.293%0.92639%0.386SS*.THydrogen-bonded Turntrans-55.9117.4179.400000110.9
40G63.8Low87Confident85 Ų8567.5 Ų67.588%0.87638%0.382SS*.THydrogen-bonded Turntrans107.4-9.6176.300000115.8H38H38-G40 PolarHBondContact O-N 2.85Å; H38-G40 VanDerWaalsContact O-N 3.08Å
41E72.6Confident87Confident131 Ų13169.1 Ų69.161%0.61239%0.393SS*.SBendtrans-92.5143.5171.7-68-174.5170.800111.3N36 H38N36-E41 PolarHBondContact ND2-O 3.08Å; H38-E41 HydrophobicContact CB-CG 4.49Å; H38-E41 PolarHBondContact O-N 3.1Å
42E71.6Confident87.1Confident191 Ų19169.2 Ų69.289%0.89339%0.393SS*.PPolyproline II helixtrans-69.6136172.7-70-167.7162.500110.2D44E42-D44 PolarHBondContact O-N 3.06Å
43T75.7Confident87.3Confident76 Ų7668.2 Ų68.247%0.46638%0.383SS..PPolyproline II helixtrans-58.5125173.97.80000110.8N36 M45 I48N36-T43 HydrophobicContact CB-CG2 4.36Å; T43-M45 PolarHBondContact O-N 2.93Å; T43-I48 HydrophobicContact CG2-CD1 4.11Å
44D88.8Confident87.5Confident90 Ų9071.3 Ų71.348%0.48140%0.398SS..  trans-71.3110.1179.8-178.6-6.6000111.2E42 V46 L47 I48E42-D44 PolarHBondContact O-N 3.06Å; D44-V46 VanDerWaalsContact C-N 3.26Å; D44-V46 PolarHBondContact O-N 3.33Å; D44-V46 WeakPolarHBondContact OD1-CA 3.39Å; D44-V46 WeakPolarHBondContact OD1-CB 3.38Å; D44-V46 PolarHBondContact OD1-N 2.99Å; D44-L47 HydrophobicContact CB-CB 3.79Å; D44-L47 WeakPolarHBondContact O-CB 3.32Å; D44-L47 PolarHBondContact O-N 3.41Å; D44-L47 PolarHBondContact OD1-N 3.15Å; D44-I48 WeakPolarHBondContact O-CG1 3.5Å; D44-I48 PolarHBondContact O-N 2.6Å
45M91.1Very high87.7Confident67 Ų6770.6 Ų70.633%0.3339%0.394SS..Hα-helixtrans-61.6-33.6178.6-171.3-178.674.400112.5T43 S49 L177 I180 P181T43-M45 PolarHBondContact O-N 2.93Å; M45-S49 VanDerWaalsContact O-CB 3.26Å; M45-S49 WeakPolarHBondContact O-CB 3.33Å; M45-S49 PolarHBondContact O-N 2.87Å; M45-S49 PolarHBondContact O-OG 3.36Å; M45-L177 HydrophobicContact CE-CD2 4.12Å; M45-L177 VanDerWaalsContact CE-O 3.28Å; M45-L177 WeakPolarHBondContact CE-O 3.13Å; M45-I180 HydrophobicContact CG-CB 4.28Å; M45-I180 HydrophobicContact CG-CD1 3.8Å; M45-I180 HydrophobicContact CG-CG2 4.33Å; M45-I180 HydrophobicContact SD-CB 4.46Å; M45-P181 HydrophobicContact SD-CG 4.19Å
46V94.8Very high88.1Confident73 Ų7370.7 Ų70.744%0.44239%0.394SS..Hα-helixtrans-70.4-44179179.80000109.7D44 I48 S49 L50 L177D44-V46 VanDerWaalsContact C-N 3.26Å; D44-V46 PolarHBondContact O-N 3.33Å; D44-V46 WeakPolarHBondContact OD1-CA 3.39Å; D44-V46 WeakPolarHBondContact OD1-CB 3.38Å; D44-V46 PolarHBondContact OD1-N 2.99Å; V46-I48 VanDerWaalsContact C-N 3.35Å; V46-I48 PolarHBondContact O-N 2.94Å; V46-S49 PolarHBondContact O-N 2.92Å; V46-L50 HydrophobicContact CG1-CD1 3.82Å; V46-L50 HydrophobicContact CG1-CG 4.23Å; V46-L50 WeakPolarHBondContact O-CB 3.43Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 2.99Å; V46-L177 HydrophobicContact CG2-CD2 4.19Å
47L94.6Very high88.6Confident90 Ų9068.3 Ų68.347%0.47138%0.383SS..Hα-helixtrans-55.7-50.1174-179.2153.4000111.1D44 C51D44-L47 HydrophobicContact CB-CB 3.79Å; D44-L47 WeakPolarHBondContact O-CB 3.32Å; D44-L47 PolarHBondContact O-N 3.41Å; D44-L47 PolarHBondContact OD1-N 3.15Å; L47-C51 WeakPolarHBondContact O-CB 3.32Å; L47-C51 PolarHBondContact O-N 3.13Å
48I95.6Very high89.3Confident15 Ų1564.9 Ų64.98%0.07738%0.378CS..Hα-helixtrans-60.5-52.4179-65.4167.2000109.5T34 T43 D44 V46 L50 C51 F52 I180T34-I48 HydrophobicContact CG2-CD1 4.44Å; T34-I48 HydrophobicContact CG2-CG1 4.4Å; T34-I48 HydrophobicContact CG2-CG2 4.1Å; T43-I48 HydrophobicContact CG2-CD1 4.11Å; D44-I48 WeakPolarHBondContact O-CG1 3.5Å; D44-I48 PolarHBondContact O-N 2.6Å; V46-I48 VanDerWaalsContact C-N 3.35Å; V46-I48 PolarHBondContact O-N 2.94Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 PolarHBondContact O-N 2.95Å; I48-C51 PolarHBondContact O-N 2.89Å; I48-C51 VanDerWaalsContact O-N 3.12Å; I48-F52 HydrophobicContact CG2-CD2 3.72Å; I48-F52 HydrophobicContact CG2-CE2 3.76Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.42Å; I48-F52 PolarHBondContact O-N 3.04Å; I48-I180 HydrophobicContact CB-CD1 4.12Å; I48-I180 HydrophobicContact CG2-CD1 3.68Å
49S97.2Very high90.2Very high0 Ų059.9 Ų59.90%036%0.355CS..Hα-helixtrans-60.5-42.1-175.7-56.80000112.7M45 V46 G53 A173 H176 L177M45-S49 VanDerWaalsContact O-CB 3.26Å; M45-S49 WeakPolarHBondContact O-CB 3.33Å; M45-S49 PolarHBondContact O-N 2.87Å; M45-S49 PolarHBondContact O-OG 3.36Å; V46-S49 PolarHBondContact O-N 2.92Å; S49-G53 PolarHBondContact O-N 3.09Å; S49-A173 WeakPolarHBondContact O-CA 3.48Å; S49-A173 WeakPolarHBondContact O-CB 3.41Å; S49-H176 WeakPolarHBondContact OG-CB 3.26Å; S49-L177 PolarHBondContact OG-N 3.4Å; S49-L177 VanDerWaalsContact OG-N 3.15Å
50L97.7Very high91.7Very high80 Ų8055.5 Ų55.542%0.41932%0.317SS..Hα-helixtrans-66.7-41.9175.2-72.4176.1000111.8V46 I48 F52 G53 L54V46-L50 HydrophobicContact CG1-CD1 3.82Å; V46-L50 HydrophobicContact CG1-CG 4.23Å; V46-L50 WeakPolarHBondContact O-CB 3.43Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 2.99Å; I48-L50 VanDerWaalsContact C-N 3.33Å; I48-L50 PolarHBondContact O-N 2.95Å; L50-F52 PolarHBondContact O-N 2.87Å; L50-G53 PolarHBondContact O-N 3.3Å; L50-L54 VanDerWaalsContact O-CB 3.23Å; L50-L54 WeakPolarHBondContact O-CB 3.46Å; L50-L54 WeakPolarHBondContact O-CG 3.29Å; L50-L54 PolarHBondContact O-N 3.25Å
51C97.8Very high93.3Very high34 Ų3457 Ų5723%0.2330%0.301CS..Hα-helixtrans-62.5-45.5179.1-171.20000111.8S33 L47 I48 S55S33-C51 VanDerWaalsContact CB-SG 3.59Å; L47-C51 WeakPolarHBondContact O-CB 3.32Å; L47-C51 PolarHBondContact O-N 3.13Å; I48-C51 PolarHBondContact O-N 2.89Å; I48-C51 VanDerWaalsContact O-N 3.12Å; C51-S55 WeakPolarHBondContact O-CB 3.13Å; C51-S55 PolarHBondContact O-N 3.44Å; C51-S55 PolarHBondContact O-OG 3.24Å
52F98.3Very high94.5Very high1 Ų153.6 Ų53.60%0.00429%0.291CS..Hα-helixtrans-61.5-48.2175.7-87.6-96.2000111.8F26 S30 L31 T34 I48 L50 I56 V172 H176 R191F26-F52 AromaticContact CE2-CD1 3.8Å; F26-F52 HydrophobicContact CE2-CD1 3.8Å; F26-F52 HydrophobicContact CE2-CE1 4.34Å; F26-F52 AromaticContact CZ-CD1 3.88Å; F26-F52 HydrophobicContact CZ-CD1 3.88Å; F26-F52 HydrophobicContact CZ-CE1 4.16Å; S30-F52 VanDerWaalsContact CB-CD1 3.48Å; S30-F52 WeakPolarHBondContact O-CE2 3.31Å; L31-F52 HydrophobicContact CD2-CZ 4.3Å; T34-F52 HydrophobicContact CG2-CE2 3.94Å; T34-F52 HydrophobicContact CG2-CZ 4.43Å; I48-F52 HydrophobicContact CG2-CD2 3.72Å; I48-F52 HydrophobicContact CG2-CE2 3.76Å; I48-F52 VanDerWaalsContact O-CD2 3.31Å; I48-F52 WeakPolarHBondContact O-CD2 3.42Å; I48-F52 PolarHBondContact O-N 3.04Å; L50-F52 PolarHBondContact O-N 2.87Å; F52-I56 PolarHBondContact O-N 3.36Å; F52-I56 VanDerWaalsContact O-N 3.14Å; F52-V172 HydrophobicContact CB-CG1 4.14Å; F52-H176 AromaticContact CD1-CD2 3.91Å; F52-H176 AromaticContact CD1-CE1 3.68Å; F52-H176 AromaticContact CD1-NE2 3.09Å; F52-H176 WeakPolarHBondContact CD1-NE2 3.25Å; F52-H176 AromaticContact CD2-CD2 3.87Å; F52-H176 AromaticContact CD2-NE2 3.9Å; F52-H176 AromaticContact CE1-NE2 3.66Å; F52-H176 AromaticContact CG-CD2 3.57Å; F52-H176 AromaticContact CG-CE1 3.88Å; F52-H176 AromaticContact CG-NE2 3.24Å; F52-H176 WeakPolarHBondContact CG-NE2 3.44Å; F52-R191 HydrophobicContact CE1-CG 4Å; F52-R191 VanDerWaalsContact CE1-NE 3.34Å; F52-R191 VanDerWaalsContact CZ-CZ 3.47Å
53G98.2Very high95.6Very high2 Ų246 Ų462%0.02126%0.255CS..Hα-helixtrans-64.7-48.6-17900000113.5S49 L50 S55 I56 A57 G169S49-G53 PolarHBondContact O-N 3.09Å; L50-G53 PolarHBondContact O-N 3.3Å; G53-S55 VanDerWaalsContact C-N 3.34Å; G53-S55 PolarHBondContact O-N 2.96Å; G53-I56 PolarHBondContact O-N 3Å; G53-A57 PolarHBondContact O-N 2.99Å; G53-G169 CarbonylContact C-O 3.58Å; G53-G169 WeakPolarHBondContact CA-O 3.5Å; G53-G169 WeakPolarHBondContact O-CA 3.41Å
54L98.4Very high96.5Very high84 Ų8443.7 Ų43.744%0.4425%0.246SC..Hα-helixtrans-66-37.3178.8-66.6175.9000111.6L50 I56 A57 T58L50-L54 VanDerWaalsContact O-CB 3.23Å; L50-L54 WeakPolarHBondContact O-CB 3.46Å; L50-L54 WeakPolarHBondContact O-CG 3.29Å; L50-L54 PolarHBondContact O-N 3.25Å; L54-I56 VanDerWaalsContact C-N 3.34Å; L54-I56 PolarHBondContact O-N 2.82Å; L54-A57 PolarHBondContact O-N 3.19Å; L54-T58 WeakPolarHBondContact O-CB 3.43Å; L54-T58 PolarHBondContact O-N 3.41Å; L54-T58 PolarHBondContact O-OG1 2.94Å
55S98.3Very high96.7Very high13 Ų1347 Ų479%0.09126%0.258CS..Hα-helixtrans-59.7-44.5174.5-65.20000111.5C51 G53 M59C51-S55 WeakPolarHBondContact O-CB 3.13Å; C51-S55 PolarHBondContact O-N 3.44Å; C51-S55 PolarHBondContact O-OG 3.24Å; G53-S55 VanDerWaalsContact C-N 3.34Å; G53-S55 PolarHBondContact O-N 2.96Å; S55-M59 WeakPolarHBondContact O-CB 3.47Å; S55-M59 VanDerWaalsContact O-CG 3.24Å; S55-M59 WeakPolarHBondContact O-CG 3.43Å; S55-M59 PolarHBondContact O-N 2.99Å
56I98.3Very high96.9Very high14 Ų1446.3 Ų46.37%0.07226%0.255CS..Hα-helixtrans-64.9-46.6174.7-70.1-67.7000111.2F26 F52 G53 L54 T58 M59 V60 I71 I168 V172F26-I56 HydrophobicContact CD1-CD1 4.09Å; F26-I56 HydrophobicContact CD2-CD1 3.55Å; F26-I56 HydrophobicContact CD2-CG1 3.75Å; F26-I56 HydrophobicContact CE1-CD1 4.11Å; F26-I56 HydrophobicContact CE2-CD1 3.61Å; F26-I56 HydrophobicContact CE2-CG1 3.53Å; F26-I56 HydrophobicContact CG-CD1 3.82Å; F26-I56 HydrophobicContact CZ-CD1 3.9Å; F26-I56 HydrophobicContact CZ-CG1 4.12Å; F52-I56 PolarHBondContact O-N 3.36Å; F52-I56 VanDerWaalsContact O-N 3.14Å; G53-I56 PolarHBondContact O-N 3Å; L54-I56 VanDerWaalsContact C-N 3.34Å; L54-I56 PolarHBondContact O-N 2.82Å; I56-T58 VanDerWaalsContact C-N 3.32Å; I56-T58 PolarHBondContact O-N 3.37Å; I56-M59 PolarHBondContact O-N 2.81Å; I56-V60 HydrophobicContact CG2-CG2 3.99Å; I56-V60 WeakPolarHBondContact O-CB 3.43Å; I56-V60 WeakPolarHBondContact O-CG2 3.41Å; I56-V60 PolarHBondContact O-N 2.85Å; I56-I71 HydrophobicContact CD1-CB 4.38Å; I56-I71 HydrophobicContact CD1-CG2 4.07Å; I56-I168 HydrophobicContact CG2-CG2 3.86Å; I56-V172 HydrophobicContact CB-CG2 4.21Å; I56-V172 HydrophobicContact CG1-CG1 4.28Å; I56-V172 HydrophobicContact CG1-CG2 4.13Å; I56-V172 HydrophobicContact CG2-CG2 4.02Å
57A98.2Very high96.9Very high8 Ų843.2 Ų43.27%0.06624%0.237CC..Hα-helixtrans-54.8-48.7176.900000111.7G53 L54 Q61 S165 L166G53-A57 PolarHBondContact O-N 2.99Å; L54-A57 PolarHBondContact O-N 3.19Å; A57-Q61 VanDerWaalsContact O-CB 3.29Å; A57-Q61 WeakPolarHBondContact O-CB 3.46Å; A57-Q61 PolarHBondContact O-N 3.39Å; A57-S165 WeakPolarHBondContact CA-O 3.37Å; A57-S165 WeakPolarHBondContact CB-O 3.43Å; A57-S165 WeakPolarHBondContact O-CB 3.46Å; A57-L166 HydrophobicContact CB-CD1 4.42Å
58T98.4Very high96.8Very high74 Ų7440.9 Ų40.945%0.45424%0.235SC..Hα-helixtrans-64.4-46.4179.5-55.50000111.4L54 I56 V60 Q61 C62L54-T58 WeakPolarHBondContact O-CB 3.43Å; L54-T58 PolarHBondContact O-N 3.41Å; L54-T58 PolarHBondContact O-OG1 2.94Å; I56-T58 VanDerWaalsContact C-N 3.32Å; I56-T58 PolarHBondContact O-N 3.37Å; T58-V60 PolarHBondContact O-N 3.49Å; T58-Q61 WeakPolarHBondContact O-CB 3.45Å; T58-Q61 PolarHBondContact O-N 3.49Å; T58-C62 PolarHBondContact O-N 2.93Å; T58-C62 PolarHBondContact O-SG 3.49Å
59M98.3Very high96.8Very high18 Ų1840.4 Ų40.49%0.08923%0.233CC..Hα-helixtrans-67.3-37.7-179.2-68.2-55.996.900112.4A22 V25 F26 S55 I56 Q61 C62 F63 I71A22-M59 HydrophobicContact CB-CB 4.29Å; A22-M59 HydrophobicContact CB-SD 4.48Å; V25-M59 HydrophobicContact CB-SD 3.72Å; V25-M59 HydrophobicContact CG1-CE 3.82Å; V25-M59 HydrophobicContact CG1-SD 3.66Å; V25-M59 HydrophobicContact CG2-SD 4.44Å; F26-M59 HydrophobicContact CB-CG 4.43Å; S55-M59 WeakPolarHBondContact O-CB 3.47Å; S55-M59 VanDerWaalsContact O-CG 3.24Å; S55-M59 WeakPolarHBondContact O-CG 3.43Å; S55-M59 PolarHBondContact O-N 2.99Å; I56-M59 PolarHBondContact O-N 2.81Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; M59-C62 PolarHBondContact O-N 3.35Å; M59-F63 WeakPolarHBondContact O-CB 3.41Å; M59-F63 WeakPolarHBondContact O-CD2 3.5Å; M59-F63 PolarHBondContact O-N 3.44Å; M59-F63 HydrophobicContact SD-CD2 4.25Å; M59-F63 HydrophobicContact SD-CE2 3.95Å; M59-I71 HydrophobicContact CB-CD1 3.41Å; M59-I71 VanDerWaalsContact CB-CD1 3.41Å
60V97.6Very high96.8Very high19 Ų1941.4 Ų41.412%0.11524%0.238CC..Hα-helixtrans-65.3-40.1172.61750000110.5I56 T58 C62 G64 I71 I168I56-V60 HydrophobicContact CG2-CG2 3.99Å; I56-V60 WeakPolarHBondContact O-CB 3.43Å; I56-V60 WeakPolarHBondContact O-CG2 3.41Å; I56-V60 PolarHBondContact O-N 2.85Å; T58-V60 PolarHBondContact O-N 3.49Å; V60-C62 VanDerWaalsContact C-N 3.34Å; V60-C62 PolarHBondContact O-N 2.95Å; V60-G64 WeakPolarHBondContact O-CA 3.29Å; V60-G64 PolarHBondContact O-N 3.21Å; V60-I71 HydrophobicContact CG2-CD1 4.24Å; V60-I168 HydrophobicContact CG1-CD1 4.19Å; V60-I168 HydrophobicContact CG2-CG2 4.44Å
61Q97.4Very high96.8Very high118 Ų11837.6 Ų37.655%0.55122%0.218SC*.Hα-helixtrans-62.3-40.9175.7-173.361.562.600112.1A57 T58 M59 S165A57-Q61 VanDerWaalsContact O-CB 3.29Å; A57-Q61 WeakPolarHBondContact O-CB 3.46Å; A57-Q61 PolarHBondContact O-N 3.39Å; T58-Q61 WeakPolarHBondContact O-CB 3.45Å; T58-Q61 PolarHBondContact O-N 3.49Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-S165 PolarHBondContact OE1-OG 3Å
62C97.4Very high96.9Very high59 Ų5936.3 Ų36.340%0.39921%0.209SC..Hα-helixtrans-75.6-44.2-179.6-68.10000113.1T58 M59 V60 H65T58-C62 PolarHBondContact O-N 2.93Å; T58-C62 PolarHBondContact O-SG 3.49Å; M59-C62 PolarHBondContact O-N 3.35Å; V60-C62 VanDerWaalsContact C-N 3.34Å; V60-C62 PolarHBondContact O-N 2.95Å; C62-H65 PolarHBondContact O-CE1 3.48Å; C62-H65 PolarHBondContact O-ND1 2.97Å
63F96.6Very high96.9Very high32 Ų3236.4 Ų36.414%0.1421%0.209CC..Hα-helixtrans-107.3-8.5-170-66.5-82.6000114.3L21 A22 M59 H65 I66 S67L21-F63 HydrophobicContact CB-CZ 4.3Å; L21-F63 HydrophobicContact CD2-CE1 4.24Å; L21-F63 HydrophobicContact CD2-CZ 3.8Å; L21-F63 HydrophobicContact CG-CZ 3.99Å; A22-F63 HydrophobicContact CB-CB 4.43Å; A22-F63 HydrophobicContact CB-CD2 3.64Å; A22-F63 HydrophobicContact CB-CE2 4.04Å; A22-F63 HydrophobicContact CB-CG 4.03Å; M59-F63 WeakPolarHBondContact O-CB 3.41Å; M59-F63 WeakPolarHBondContact O-CD2 3.5Å; M59-F63 PolarHBondContact O-N 3.44Å; M59-F63 HydrophobicContact SD-CD2 4.25Å; M59-F63 HydrophobicContact SD-CE2 3.95Å; F63-H65 VanDerWaalsContact C-N 3.31Å; F63-H65 PolarHBondContact O-N 3.37Å; F63-I66 HydrophobicContact CD1-CD1 4.13Å; F63-I66 PolarHBondContact O-N 2.81Å; F63-S67 PolarHBondContact O-N 2.97Å; F63-S67 PolarHBondContact O-OG 2.75Å
64G93.7Very high96.9Very high26 Ų2636.3 Ų36.327%0.26821%0.208SC..Hα-helixtrans-54.6-43.8-17900000113.1V60 I66 G68V60-G64 WeakPolarHBondContact O-CA 3.29Å; V60-G64 PolarHBondContact O-N 3.21Å; G64-I66 VanDerWaalsContact C-N 3.27Å; G64-I66 PolarHBondContact O-N 3.4Å; G64-G68 WeakPolarHBondContact O-CA 3.47Å; G64-G68 PolarHBondContact O-N 2.94Å
65H92.6Very high96.9Very high159 Ų15932.5 Ų32.574%0.73619%0.189SC*.Hα-helixtrans-75.3-12.4177.871-79.9000114.2C62 F63C62-H65 PolarHBondContact O-CE1 3.48Å; C62-H65 PolarHBondContact O-ND1 2.97Å; F63-H65 VanDerWaalsContact C-N 3.31Å; F63-H65 PolarHBondContact O-N 3.37Å
66I94.8Very high96.9Very high54 Ų5431.9 Ų31.928%0.27719%0.185SC..Hα-helixtrans-97.8-51.6-177.9-56175.6000110.4F63 G64F63-I66 HydrophobicContact CD1-CD1 4.13Å; F63-I66 PolarHBondContact O-N 2.81Å; G64-I66 VanDerWaalsContact C-N 3.27Å; G64-I66 PolarHBondContact O-N 3.4Å
67S94.8Very high96.9Very high8 Ų832.4 Ų32.46%0.05619%0.191CC..Hα-helixtrans-118.2-14.1-174.268.70000114.3A15 E19 F63 G69 Y93A15-S67 VanDerWaalsContact O-CB 3.27Å; A15-S67 WeakPolarHBondContact O-CB 3.42Å; E19-S67 WeakPolarHBondContact OE1-CB 3.39Å; E19-S67 PolarHBondContact OE1-OG 2.97Å; F63-S67 PolarHBondContact O-N 2.97Å; F63-S67 PolarHBondContact O-OG 2.75Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact OG-N 3.08Å; S67-Y93 WeakPolarHBondContact CA-OH 3.49Å; S67-Y93 WeakPolarHBondContact CB-OH 3.23Å; S67-Y93 WeakPolarHBondContact O-CE2 3.3Å; S67-Y93 PolarHBondContact O-OH 3.33Å
68G93.4Very high96.8Very high41 Ų4132 Ų3242%0.42319%0.188SC..  trans92.4-11-161.900000112.8G64 H70G64-G68 WeakPolarHBondContact O-CA 3.47Å; G64-G68 PolarHBondContact O-N 2.94Å; G68-H70 PolarHBondContact O-N 3.47Å
69G95.4Very high96.7Very high5 Ų530.2 Ų30.25%0.05217%0.174CC..  trans58.345.617500000113.5E19 S67E19-G69 WeakPolarHBondContact OE1-CA 3.46Å; E19-G69 PolarHBondContact OE1-N 3.11Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact OG-N 3.08Å
70H97.9Very high96.6Very high20 Ų2030.9 Ų30.99%0.09318%0.18CC..  trans-68.4-48.8-175.7-69.1-165000111.4E19 G68 N72 V75 T76 Y93E19-H70 PolarHBondContact OE1-N 3.03Å; E19-H70 WeakPolarHBondContact OE2-CB 3.46Å; E19-H70 PolarHBondContact OE2-N 3.44Å; G68-H70 PolarHBondContact O-N 3.47Å; H70-N72 VanDerWaalsContact O-CB 3.31Å; H70-N72 WeakPolarHBondContact O-CB 3.33Å; H70-N72 PolarHBondContact O-N 2.84Å; H70-V75 HydrophobicContact CB-CG1 4.19Å; H70-T76 WeakPolarHBondContact CB-OG1 3.15Å; H70-T76 WeakPolarHBondContact ND1-CA 3.44Å; H70-T76 PolarHBondContact ND1-OG1 2.92Å; H70-T76 VanDerWaalsContact ND1-OG1 3.08Å; H70-Y93 AromaticContact ND1-CD2 3.83Å
71I98.1Very high96.3Very high1 Ų133.6 Ų33.61%0.00520%0.196CC..  trans5614.6173.7-49.4160.2000112.3E19 A22 F26 I56 M59 V60 N188E19-I71 PolarHBondContact OE2-N 3.44Å; A22-I71 HydrophobicContact CB-CD1 3.8Å; A22-I71 HydrophobicContact CB-CG1 3.63Å; F26-I71 HydrophobicContact CB-CG2 3.99Å; F26-I71 HydrophobicContact CD1-CG2 3.82Å; F26-I71 HydrophobicContact CG-CG2 4.09Å; I56-I71 HydrophobicContact CD1-CB 4.38Å; I56-I71 HydrophobicContact CD1-CG2 4.07Å; M59-I71 HydrophobicContact CB-CD1 3.41Å; M59-I71 VanDerWaalsContact CB-CD1 3.41Å; V60-I71 HydrophobicContact CG2-CD1 4.24Å; I71-N188 PolarHBondContact O-ND2 3.37Å
72N98.5Very high96Very high6 Ų628.9 Ų28.93%0.03218%0.176CC..SBendtrans-157.3122-168-175.9-17.5000110H70 A74 V75 T76 Q97 M187 N188 P189H70-N72 VanDerWaalsContact O-CB 3.31Å; H70-N72 WeakPolarHBondContact O-CB 3.33Å; H70-N72 PolarHBondContact O-N 2.84Å; N72-A74 VanDerWaalsContact C-N 3.28Å; N72-A74 PolarHBondContact O-N 3.33Å; N72-A74 WeakPolarHBondContact OD1-CB 3.35Å; N72-A74 PolarHBondContact OD1-N 3.41Å; N72-V75 HydrophobicContact CB-CB 4.04Å; N72-V75 HydrophobicContact CB-CG2 3.72Å; N72-V75 PolarHBondContact O-N 3.31Å; N72-T76 PolarHBondContact O-N 3.37Å; N72-T76 PolarHBondContact O-OG1 3.11Å; N72-Q97 PolarHBondContact O-OE1 2.93Å; N72-M187 PolarHBondContact ND2-O 2.89Å; N72-N188 HydrophobicContact CB-CB 4.36Å; N72-N188 VanDerWaalsContact CG-CG 3.49Å; N72-N188 WeakPolarHBondContact OD1-CA 3.47Å; N72-P189 WeakPolarHBondContact OD1-CD 3.41Å
73P98.6Very high95.6Very high3 Ų336.7 Ų36.72%0.01920%0.197CC..Hα-helixtrans-59.5-33.4175.5-29.537.4000114.3T76 A77 V94 Q97 N188 P189 A190 W209P73-T76 PolarHBondContact O-N 2.97Å; P73-A77 WeakPolarHBondContact O-CB 3.44Å; P73-A77 PolarHBondContact O-N 3.43Å; P73-V94 HydrophobicContact CB-CG1 4.13Å; P73-V94 HydrophobicContact CB-CG2 4.02Å; P73-V94 HydrophobicContact CG-CG1 4.24Å; P73-Q97 HydrophobicContact CG-CB 4.45Å; P73-Q97 VanDerWaalsContact N-OE1 3.07Å; P73-N188 VanDerWaalsContact CD-OD1 3.25Å; P73-N188 WeakPolarHBondContact CD-OD1 2.79Å; P73-P189 HydrophobicContact CB-CB 4.11Å; P73-P189 HydrophobicContact CB-CG 4.05Å; P73-P189 HydrophobicContact CG-CB 4.15Å; P73-P189 HydrophobicContact CG-CG 4.49Å; P73-A190 HydrophobicContact CG-CB 3.73Å; P73-W209 HydrophobicContact CB-CZ3 4.48Å
74A98.4Very high95.2Very high0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-68-43.3178.100000112.1N72 T76 A77 A78 T142 P189 P212 I213N72-A74 VanDerWaalsContact C-N 3.28Å; N72-A74 PolarHBondContact O-N 3.33Å; N72-A74 WeakPolarHBondContact OD1-CB 3.35Å; N72-A74 PolarHBondContact OD1-N 3.41Å; A74-T76 VanDerWaalsContact C-N 3.32Å; A74-T76 PolarHBondContact O-N 2.84Å; A74-A77 PolarHBondContact O-N 3.45Å; A74-A78 WeakPolarHBondContact O-CB 2.93Å; A74-A78 PolarHBondContact O-N 2.87Å; A74-T142 HydrophobicContact CB-CG2 3.98Å; A74-P189 HydrophobicContact CB-CG 4.43Å; A74-P212 HydrophobicContact CB-CB 3.8Å; A74-I213 HydrophobicContact CB-CG1 4.33Å
75V98.4Very high95.2Very high4 Ų439.7 Ų39.72%0.02420%0.204CC..Hα-helixtrans-61.6-43.9172.8177.30000110H70 N72 A77 A78 M79 V146 I149H70-V75 HydrophobicContact CB-CG1 4.19Å; N72-V75 HydrophobicContact CB-CB 4.04Å; N72-V75 HydrophobicContact CB-CG2 3.72Å; N72-V75 PolarHBondContact O-N 3.31Å; V75-A77 PolarHBondContact O-N 3.49Å; V75-A78 WeakPolarHBondContact O-CB 3.01Å; V75-A78 PolarHBondContact O-N 3.46Å; V75-M79 HydrophobicContact CG1-CG 4.48Å; V75-M79 VanDerWaalsContact O-CG 3.27Å; V75-M79 WeakPolarHBondContact O-CG 3.47Å; V75-M79 PolarHBondContact O-N 3.37Å; V75-V146 HydrophobicContact CG2-CG2 4.03Å; V75-I149 HydrophobicContact CB-CD1 4.4Å; V75-I149 HydrophobicContact CG1-CD1 3.85Å; V75-I149 HydrophobicContact CG2-CD1 3.58Å
76T98.2Very high95.2Very high1 Ų135.3 Ų35.31%0.00619%0.191CC..Hα-helixtrans-62.4-43.6178.4-56.60000112H70 N72 P73 A74 M79 V80 L85 Y93 V94 Q97H70-T76 WeakPolarHBondContact CB-OG1 3.15Å; H70-T76 WeakPolarHBondContact ND1-CA 3.44Å; H70-T76 PolarHBondContact ND1-OG1 2.92Å; H70-T76 VanDerWaalsContact ND1-OG1 3.08Å; N72-T76 PolarHBondContact O-N 3.37Å; N72-T76 PolarHBondContact O-OG1 3.11Å; P73-T76 PolarHBondContact O-N 2.97Å; A74-T76 VanDerWaalsContact C-N 3.32Å; A74-T76 PolarHBondContact O-N 2.84Å; T76-M79 PolarHBondContact O-N 3.27Å; T76-V80 WeakPolarHBondContact O-CG2 3.3Å; T76-V80 PolarHBondContact O-N 2.63Å; T76-L85 HydrophobicContact CG2-CD2 3.84Å; T76-Y93 HydrophobicContact CG2-CD2 4.34Å; T76-V94 HydrophobicContact CG2-CG2 4.11Å; T76-Q97 PolarHBondContact OG1-NE2 3.47Å
77A97.9Very high95.1Very high25 Ų2538.4 Ų38.421%0.20721%0.207CC..Hα-helixtrans-61.3-44.9175.300000111.6P73 A74 V75 M79 V80 V81 I213P73-A77 WeakPolarHBondContact O-CB 3.44Å; P73-A77 PolarHBondContact O-N 3.43Å; A74-A77 PolarHBondContact O-N 3.45Å; V75-A77 PolarHBondContact O-N 3.49Å; A77-M79 VanDerWaalsContact C-N 3.33Å; A77-M79 PolarHBondContact O-N 2.69Å; A77-V80 PolarHBondContact O-N 3.06Å; A77-V81 WeakPolarHBondContact O-CG2 3.33Å; A77-V81 PolarHBondContact O-N 3.46Å; A77-I213 HydrophobicContact CB-CG2 4.35Å
78A97Very high94.9Very high0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-58.4-43.6175.900000112.1A74 V75 V80 V81 S82 V146 F150 A220A74-A78 WeakPolarHBondContact O-CB 2.93Å; A74-A78 PolarHBondContact O-N 2.87Å; V75-A78 WeakPolarHBondContact O-CB 3.01Å; V75-A78 PolarHBondContact O-N 3.46Å; A78-V80 VanDerWaalsContact C-N 3.34Å; A78-V80 PolarHBondContact O-N 2.65Å; A78-V81 PolarHBondContact O-N 2.75Å; A78-S82 WeakPolarHBondContact O-CB 3.3Å; A78-S82 PolarHBondContact O-N 3.41Å; A78-S82 PolarHBondContact O-OG 2.79Å; A78-V146 HydrophobicContact CB-CG1 3.85Å; A78-F150 HydrophobicContact CB-CE2 4.25Å; A78-A220 HydrophobicContact CB-CB 4.04Å
79M95.8Very high94.9Very high35 Ų3538.9 Ų38.917%0.17220%0.199CC..Hα-helixtrans-66.1-33.9177.5-67-66.4-80.900113V75 T76 A77 R83 K84 L85 F150V75-M79 HydrophobicContact CG1-CG 4.48Å; V75-M79 VanDerWaalsContact O-CG 3.27Å; V75-M79 WeakPolarHBondContact O-CG 3.47Å; V75-M79 PolarHBondContact O-N 3.37Å; T76-M79 PolarHBondContact O-N 3.27Å; A77-M79 VanDerWaalsContact C-N 3.33Å; A77-M79 PolarHBondContact O-N 2.69Å; M79-R83 PolarHBondContact O-N 2.89Å; M79-K84 HydrophobicContact CE-CB 3.69Å; M79-K84 HydrophobicContact CE-CD 3.86Å; M79-K84 HydrophobicContact CE-CG 4.45Å; M79-K84 PolarHBondContact O-N 3.01Å; M79-K84 HydrophobicContact SD-CB 4.14Å; M79-K84 HydrophobicContact SD-CD 3.86Å; M79-L85 HydrophobicContact CB-CB 4.01Å; M79-L85 PolarHBondContact O-N 2.92Å; M79-F150 HydrophobicContact SD-CE2 3.93Å; M79-F150 HydrophobicContact SD-CZ 3.9Å
80V95.2Very high95Very high33 Ų3338.8 Ų38.820%0.220%0.198CC..Hα-helixtrans-69.5-46.2174.1171.60000111.1T76 A77 A78 S82 R83 L85 L87T76-V80 WeakPolarHBondContact O-CG2 3.3Å; T76-V80 PolarHBondContact O-N 2.63Å; A77-V80 PolarHBondContact O-N 3.06Å; A78-V80 VanDerWaalsContact C-N 3.34Å; A78-V80 PolarHBondContact O-N 2.65Å; V80-S82 VanDerWaalsContact C-N 3.33Å; V80-S82 PolarHBondContact O-N 3.4Å; V80-R83 WeakPolarHBondContact O-CA 3.45Å; V80-R83 PolarHBondContact O-N 3.24Å; V80-L85 HydrophobicContact CG2-CB 4.12Å; V80-L85 HydrophobicContact CG2-CD2 4.14Å; V80-L85 HydrophobicContact CG2-CG 4.41Å; V80-L87 HydrophobicContact CG1-CB 4.28Å; V80-L87 HydrophobicContact CG1-CD1 3.9Å
81V92.9Very high94.9Very high76 Ų7641.7 Ų41.746%0.46122%0.217SC..Hα-helixtrans-64.1-38.7-180172.20000111.5A77 A78 R83 I217A77-V81 WeakPolarHBondContact O-CG2 3.33Å; A77-V81 PolarHBondContact O-N 3.46Å; A78-V81 PolarHBondContact O-N 2.75Å; V81-R83 PolarHBondContact O-N 3.05Å; V81-I217 HydrophobicContact CG1-CG2 4.26Å; V81-I217 HydrophobicContact CG2-CD1 4.14Å; V81-I217 HydrophobicContact CG2-CG1 4.14Å
82S90.1Very high94.9Very high19 Ų1944.8 Ų44.813%0.13323%0.231CC..THydrogen-bonded Turntrans-78.99173.8-61.30000114.1A78 V80 K84 A220A78-S82 WeakPolarHBondContact O-CB 3.3Å; A78-S82 PolarHBondContact O-N 3.41Å; A78-S82 PolarHBondContact O-OG 2.79Å; V80-S82 VanDerWaalsContact C-N 3.33Å; V80-S82 PolarHBondContact O-N 3.4Å; S82-K84 PolarHBondContact O-N 3.39Å; S82-K84 VanDerWaalsContact O-N 3.08Å; S82-A220 WeakPolarHBondContact OG-CB 3.45Å
83R89.3Confident94.9Very high223 Ų22344.5 Ų44.584%0.84223%0.229SC*.THydrogen-bonded Turntrans58.320.4177.7-53.3-179.7-179.8-179.6-0.7114.7M79 V80 V81M79-R83 PolarHBondContact O-N 2.89Å; V80-R83 WeakPolarHBondContact O-CA 3.45Å; V80-R83 PolarHBondContact O-N 3.24Å; V81-R83 PolarHBondContact O-N 3.05Å
84K88.9Confident94.9Very high99 Ų9946.2 Ų46.243%0.4324%0.24SC..SBendtrans-84.7-17.1174-61.7-171.8-169-74.90112.5M79 S82 F150 E224M79-K84 HydrophobicContact CE-CB 3.69Å; M79-K84 HydrophobicContact CE-CD 3.86Å; M79-K84 HydrophobicContact CE-CG 4.45Å; M79-K84 PolarHBondContact O-N 3.01Å; M79-K84 HydrophobicContact SD-CB 4.14Å; M79-K84 HydrophobicContact SD-CD 3.86Å; S82-K84 PolarHBondContact O-N 3.39Å; S82-K84 VanDerWaalsContact O-N 3.08Å; K84-F150 HydrophobicContact CD-CE1 4.17Å; K84-F150 HydrophobicContact CD-CZ 4.5Å; K84-F150 VanDerWaalsContact CE-CE1 3.44Å; K84-E224 WeakPolarHBondContact CE-OE1 3.34Å; K84-E224 IonicContact NZ-OE1 3.56Å; K84-E224 PolarHBondContact NZ-OE1 2.99Å
85L92.1Very high94.9Very high21 Ų2149.9 Ų49.911%0.1126%0.261CS..SBendtrans-131.8139.1175.1-167.372.4000110.4T76 M79 V80 K89 Y93T76-L85 HydrophobicContact CG2-CD2 3.84Å; M79-L85 HydrophobicContact CB-CB 4.01Å; M79-L85 PolarHBondContact O-N 2.92Å; V80-L85 HydrophobicContact CG2-CB 4.12Å; V80-L85 HydrophobicContact CG2-CD2 4.14Å; V80-L85 HydrophobicContact CG2-CG 4.41Å; L85-K89 HydrophobicContact CD1-CB 4.18Å; L85-K89 HydrophobicContact CD1-CD 3.66Å; L85-K89 HydrophobicContact CD1-CG 3.89Å; L85-K89 HydrophobicContact CG-CB 4.26Å; L85-K89 HydrophobicContact CG-CG 4.41Å; L85-Y93 HydrophobicContact CD2-CD2 4.16Å; L85-Y93 HydrophobicContact CD2-CE2 4.49Å
86S92.5Very high94.9Very high67 Ų6750 Ų5047%0.46926%0.263SS..  trans-67.5144.2173.870.30000110.9A88 K89 G90S86-A88 VanDerWaalsContact C-N 3.28Å; S86-A88 PolarHBondContact O-N 3.16Å; S86-K89 PolarHBondContact O-N 2.79Å; S86-K89 VanDerWaalsContact O-N 3.16Å; S86-K89 VanDerWaalsContact OG-CB 3.3Å; S86-K89 WeakPolarHBondContact OG-CB 3.49Å; S86-K89 PolarHBondContact OG-N 2.84Å; S86-G90 PolarHBondContact O-N 3.36Å
87L93.4Very high94.9Very high119 Ų11950 Ų5062%0.62326%0.263SS*.Hα-helixtrans-55.3-43.7-179.9177.861.9000112.1V80 K89 G90 V91V80-L87 HydrophobicContact CG1-CB 4.28Å; V80-L87 HydrophobicContact CG1-CD1 3.9Å; L87-K89 PolarHBondContact O-N 3.27Å; L87-G90 PolarHBondContact O-N 3.03Å; L87-V91 HydrophobicContact CD1-CG2 4.5Å; L87-V91 WeakPolarHBondContact O-CG2 3.37Å; L87-V91 PolarHBondContact O-N 2.92Å
88A91.4Very high95Very high11 Ų1149.4 Ų49.49%0.09126%0.257CS..Hα-helixtrans-59.9-49.1178.400000111.5A3 I7 S86 G90 V91 F92A3-A88 WeakPolarHBondContact O-CB 3.19Å; I7-A88 HydrophobicContact CD1-CB 4.18Å; S86-A88 VanDerWaalsContact C-N 3.28Å; S86-A88 PolarHBondContact O-N 3.16Å; A88-G90 VanDerWaalsContact C-N 3.27Å; A88-G90 PolarHBondContact O-N 2.88Å; A88-V91 PolarHBondContact O-N 3.48Å; A88-F92 VanDerWaalsContact O-CD2 3.3Å; A88-F92 WeakPolarHBondContact O-CD2 3.19Å; A88-F92 PolarHBondContact O-N 3.45Å
89K93.5Very high95Very high48 Ų4853.7 Ų53.721%0.20928%0.28CS..Hα-helixtrans-61.8-38177.3-170.1168.9172.8-169.70111.6F12 L85 S86 L87 V91 F92 Y93F12-K89 HydrophobicContact CD2-CD 4.19Å; F12-K89 HydrophobicContact CD2-CG 4.16Å; F12-K89 HydrophobicContact CE2-CB 3.79Å; F12-K89 HydrophobicContact CE2-CD 4.23Å; F12-K89 HydrophobicContact CE2-CG 3.7Å; L85-K89 HydrophobicContact CD1-CB 4.18Å; L85-K89 HydrophobicContact CD1-CD 3.66Å; L85-K89 HydrophobicContact CD1-CG 3.89Å; L85-K89 HydrophobicContact CG-CB 4.26Å; L85-K89 HydrophobicContact CG-CG 4.41Å; S86-K89 PolarHBondContact O-N 2.79Å; S86-K89 VanDerWaalsContact O-N 3.16Å; S86-K89 VanDerWaalsContact OG-CB 3.3Å; S86-K89 WeakPolarHBondContact OG-CB 3.49Å; S86-K89 PolarHBondContact OG-N 2.84Å; L87-K89 PolarHBondContact O-N 3.27Å; K89-V91 PolarHBondContact O-N 3.39Å; K89-F92 PolarHBondContact O-N 2.81Å; K89-Y93 HydrophobicContact CD-CE1 4.28Å; K89-Y93 VanDerWaalsContact CE-CE1 3.41Å; K89-Y93 WeakPolarHBondContact CE-OH 3.36Å; K89-Y93 HydrophobicContact CG-CD1 4.04Å; K89-Y93 HydrophobicContact CG-CE1 3.77Å; K89-Y93 PolarHBondContact NZ-OH 3.45Å; K89-Y93 WeakPolarHBondContact O-CB 3.48Å; K89-Y93 WeakPolarHBondContact O-CD1 3.37Å; K89-Y93 PolarHBondContact O-N 3.33Å
90G96Very high95.2Very high3 Ų352 Ų523%0.03127%0.272CS..Hα-helixtrans-57.8-45.1173.500000113.2S86 L87 A88 Y93 V94S86-G90 PolarHBondContact O-N 3.36Å; L87-G90 PolarHBondContact O-N 3.03Å; A88-G90 VanDerWaalsContact C-N 3.27Å; A88-G90 PolarHBondContact O-N 2.88Å; G90-Y93 WeakPolarHBondContact O-CB 3.37Å; G90-Y93 PolarHBondContact O-N 2.86Å; G90-V94 WeakPolarHBondContact O-CG2 3.33Å; G90-V94 PolarHBondContact O-N 2.84Å
91V96.8Very high95.3Very high82 Ų8250.5 Ų50.550%0.49726%0.262SS..Hα-helixtrans-61.7-47176.8173.20000111.3L87 A88 K89 Y93 V94 V95L87-V91 HydrophobicContact CD1-CG2 4.5Å; L87-V91 WeakPolarHBondContact O-CG2 3.37Å; L87-V91 PolarHBondContact O-N 2.92Å; A88-V91 PolarHBondContact O-N 3.48Å; K89-V91 PolarHBondContact O-N 3.39Å; V91-Y93 VanDerWaalsContact C-N 3.29Å; V91-Y93 PolarHBondContact O-N 3.36Å; V91-V94 PolarHBondContact O-N 3.45Å; V91-V95 WeakPolarHBondContact O-CG2 3.12Å; V91-V95 PolarHBondContact O-N 2.91Å
92F97.6Very high95.6Very high66 Ų6649.2 Ų49.229%0.28925%0.252SS..Hα-helixtrans-63.1-35.6177.5-81.1-86.5000112.6I7 F12 W13 V16 A88 K89 A96I7-F92 HydrophobicContact CD1-CE2 4.13Å; I7-F92 HydrophobicContact CG2-CE2 4.35Å; I7-F92 HydrophobicContact CG2-CZ 4.33Å; F12-F92 HydrophobicContact CE1-CB 4.38Å; F12-F92 HydrophobicContact CE1-CD1 4.37Å; F12-F92 HydrophobicContact CE1-CD2 4.26Å; F12-F92 HydrophobicContact CE1-CG 4.09Å; F12-F92 HydrophobicContact CZ-CB 3.88Å; F12-F92 HydrophobicContact CZ-CD1 4.45Å; F12-F92 AromaticContact CZ-CD2 3.64Å; F12-F92 HydrophobicContact CZ-CD2 3.64Å; F12-F92 HydrophobicContact CZ-CE2 4.29Å; F12-F92 AromaticContact CZ-CG 3.74Å; F12-F92 HydrophobicContact CZ-CG 3.74Å; W13-F92 HydrophobicContact CH2-CD1 4.25Å; W13-F92 AromaticContact CH2-CE1 3.85Å; W13-F92 HydrophobicContact CH2-CE1 3.85Å; W13-F92 HydrophobicContact CZ3-CD1 4.44Å; W13-F92 HydrophobicContact CZ3-CE1 4.46Å; V16-F92 HydrophobicContact CG2-CB 3.93Å; A88-F92 VanDerWaalsContact O-CD2 3.3Å; A88-F92 WeakPolarHBondContact O-CD2 3.19Å; A88-F92 PolarHBondContact O-N 3.45Å; K89-F92 PolarHBondContact O-N 2.81Å; F92-A96 VanDerWaalsContact O-CB 3.26Å; F92-A96 WeakPolarHBondContact O-CB 3.48Å; F92-A96 PolarHBondContact O-N 2.96Å
93Y98.3Very high96Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-63.7-48.8174.6-86.728.1000111.6A15 V16 E19 S67 H70 T76 L85 K89 G90 V91 V95 A96 Q97A15-Y93 HydrophobicContact CB-CE1 4.15Å; A15-Y93 VanDerWaalsContact CB-OH 3.32Å; A15-Y93 WeakPolarHBondContact CB-OH 3.32Å; V16-Y93 HydrophobicContact CG2-CD1 4.16Å; V16-Y93 HydrophobicContact CG2-CE1 4.16Å; E19-Y93 HydrophobicContact CG-CD1 3.93Å; E19-Y93 HydrophobicContact CG-CD2 3.59Å; E19-Y93 HydrophobicContact CG-CE1 3.95Å; E19-Y93 HydrophobicContact CG-CE2 3.61Å; E19-Y93 HydrophobicContact CG-CG 3.75Å; S67-Y93 WeakPolarHBondContact CA-OH 3.49Å; S67-Y93 WeakPolarHBondContact CB-OH 3.23Å; S67-Y93 WeakPolarHBondContact O-CE2 3.3Å; S67-Y93 PolarHBondContact O-OH 3.33Å; H70-Y93 AromaticContact ND1-CD2 3.83Å; T76-Y93 HydrophobicContact CG2-CD2 4.34Å; L85-Y93 HydrophobicContact CD2-CD2 4.16Å; L85-Y93 HydrophobicContact CD2-CE2 4.49Å; K89-Y93 HydrophobicContact CD-CE1 4.28Å; K89-Y93 VanDerWaalsContact CE-CE1 3.41Å; K89-Y93 WeakPolarHBondContact CE-OH 3.36Å; K89-Y93 HydrophobicContact CG-CD1 4.04Å; K89-Y93 HydrophobicContact CG-CE1 3.77Å; K89-Y93 PolarHBondContact NZ-OH 3.45Å; K89-Y93 WeakPolarHBondContact O-CB 3.48Å; K89-Y93 WeakPolarHBondContact O-CD1 3.37Å; K89-Y93 PolarHBondContact O-N 3.33Å; G90-Y93 WeakPolarHBondContact O-CB 3.37Å; G90-Y93 PolarHBondContact O-N 2.86Å; V91-Y93 VanDerWaalsContact C-N 3.29Å; V91-Y93 PolarHBondContact O-N 3.36Å; Y93-V95 VanDerWaalsContact C-N 3.32Å; Y93-V95 PolarHBondContact O-N 3.37Å; Y93-A96 PolarHBondContact O-N 3.32Å; Y93-Q97 WeakPolarHBondContact O-CB 3.27Å; Y93-Q97 VanDerWaalsContact O-CD 3.24Å; Y93-Q97 WeakPolarHBondContact O-CG 3.48Å; Y93-Q97 PolarHBondContact O-N 3.28Å
94V98.6Very high96.5Very high39 Ų3940 Ų4024%0.23622%0.22CC..Hα-helixtrans-59.7-44.4178.7172.80000110.9P73 T76 G90 V91 Q97 C98P73-V94 HydrophobicContact CB-CG1 4.13Å; P73-V94 HydrophobicContact CB-CG2 4.02Å; P73-V94 HydrophobicContact CG-CG1 4.24Å; T76-V94 HydrophobicContact CG2-CG2 4.11Å; G90-V94 WeakPolarHBondContact O-CG2 3.33Å; G90-V94 PolarHBondContact O-N 2.84Å; V91-V94 PolarHBondContact O-N 3.45Å; V94-Q97 PolarHBondContact O-N 2.98Å; V94-C98 WeakPolarHBondContact O-CB 3.32Å; V94-C98 PolarHBondContact O-N 3.07Å; V94-C98 PolarHBondContact O-SG 3.47Å; V94-C98 VanDerWaalsContact O-SG 3.36Å
95V98.4Very high96.9Very high76 Ų7635.2 Ų35.246%0.46120%0.199SC..Hα-helixtrans-61.4-47.7176.3173.60000111V91 Y93 Q97 C98 L99V91-V95 WeakPolarHBondContact O-CG2 3.12Å; V91-V95 PolarHBondContact O-N 2.91Å; Y93-V95 VanDerWaalsContact C-N 3.32Å; Y93-V95 PolarHBondContact O-N 3.37Å; V95-Q97 VanDerWaalsContact C-N 3.34Å; V95-Q97 PolarHBondContact O-N 2.99Å; V95-C98 PolarHBondContact O-N 2.95Å; V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.31Å; V95-L99 WeakPolarHBondContact O-CG 3.34Å; V95-L99 PolarHBondContact O-N 3.47Å
96A98.5Very high97.2Very high7 Ų735.6 Ų35.66%0.05821%0.208CC..Hα-helixtrans-60.7-42.1177.900000112.4V16 E19 F92 Y93 L99 G100V16-A96 HydrophobicContact CG1-CB 3.84Å; E19-A96 HydrophobicContact CB-CB 4.3Å; F92-A96 VanDerWaalsContact O-CB 3.26Å; F92-A96 WeakPolarHBondContact O-CB 3.48Å; F92-A96 PolarHBondContact O-N 2.96Å; Y93-A96 PolarHBondContact O-N 3.32Å; A96-L99 PolarHBondContact O-N 2.86Å; A96-G100 PolarHBondContact O-N 3.49Å
97Q98.8Very high97.5Very high0 Ų035.7 Ų35.70%020%0.202CC..Hα-helixtrans-63.3-46.1177.5-70.71562.800111.4E19 S23 N72 P73 T76 Y93 V94 V95 G100 A101 A190E19-Q97 HydrophobicContact CB-CG 4.32Å; E19-Q97 PolarHBondContact OE2-NE2 3.46Å; S23-Q97 WeakPolarHBondContact OG-CA 3.25Å; N72-Q97 PolarHBondContact O-OE1 2.93Å; P73-Q97 HydrophobicContact CG-CB 4.45Å; P73-Q97 VanDerWaalsContact N-OE1 3.07Å; T76-Q97 PolarHBondContact OG1-NE2 3.47Å; Y93-Q97 WeakPolarHBondContact O-CB 3.27Å; Y93-Q97 VanDerWaalsContact O-CD 3.24Å; Y93-Q97 WeakPolarHBondContact O-CG 3.48Å; Y93-Q97 PolarHBondContact O-N 3.28Å; V94-Q97 PolarHBondContact O-N 2.98Å; V95-Q97 VanDerWaalsContact C-N 3.34Å; V95-Q97 PolarHBondContact O-N 2.99Å; Q97-G100 PolarHBondContact O-N 3.23Å; Q97-A101 WeakPolarHBondContact O-CB 3.16Å; Q97-A101 PolarHBondContact O-N 3.49Å; Q97-A190 HydrophobicContact CB-CB 4.03Å
98C98.8Very high97.7Very high14 Ų1430.4 Ų30.410%0.09518%0.175CC..Hα-helixtrans-63.9-45.5177.1-72.60000112.3V94 V95 G100 A101 I102 F193V94-C98 WeakPolarHBondContact O-CB 3.32Å; V94-C98 PolarHBondContact O-N 3.07Å; V94-C98 PolarHBondContact O-SG 3.47Å; V94-C98 VanDerWaalsContact O-SG 3.36Å; V95-C98 PolarHBondContact O-N 2.95Å; C98-G100 VanDerWaalsContact C-N 3.33Å; C98-G100 PolarHBondContact O-N 2.97Å; C98-A101 PolarHBondContact O-N 2.82Å; C98-I102 WeakPolarHBondContact O-CG1 3.36Å; C98-I102 PolarHBondContact O-N 3.01Å; C98-F193 HydrophobicContact CB-CD1 3.88Å; C98-F193 HydrophobicContact CB-CE1 3.98Å
99L98.8Very high98Very high90 Ų9034.9 Ų34.947%0.47119%0.19SC..Hα-helixtrans-64.3-39.1176.6-69.5176.4000111.8Y20 V95 A96 I102 T103Y20-L99 HydrophobicContact CD2-CB 4.09Å; Y20-L99 HydrophobicContact CE2-CB 4.07Å; V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.31Å; V95-L99 WeakPolarHBondContact O-CG 3.34Å; V95-L99 PolarHBondContact O-N 3.47Å; A96-L99 PolarHBondContact O-N 2.86Å; L99-I102 PolarHBondContact O-N 3.48Å; L99-T103 WeakPolarHBondContact O-CB 3.35Å; L99-T103 PolarHBondContact O-N 2.82Å; L99-T103 PolarHBondContact O-OG1 3.24Å
100G98.8Very high98.1Very high0 Ų036.3 Ų36.30%021%0.211CC..Hα-helixtrans-63.8-44.4175.200000111.5V24 A96 Q97 C98 T103 G104V24-G100 WeakPolarHBondContact CA-O 3.3Å; V24-G100 WeakPolarHBondContact CG2-O 3.27Å; A96-G100 PolarHBondContact O-N 3.49Å; Q97-G100 PolarHBondContact O-N 3.23Å; C98-G100 VanDerWaalsContact C-N 3.33Å; C98-G100 PolarHBondContact O-N 2.97Å; G100-T103 PolarHBondContact O-N 2.94Å; G100-G104 PolarHBondContact O-N 2.95Å
101A98.8Very high98.1Very high0 Ų041 Ų410%024%0.239CC..Hα-helixtrans-63-43176.800000113.1V27 Q97 C98 T103 G104 A105 A190V27-A101 WeakPolarHBondContact CG1-O 3.35Å; V27-A101 HydrophobicContact CG2-CB 3.77Å; Q97-A101 WeakPolarHBondContact O-CB 3.16Å; Q97-A101 PolarHBondContact O-N 3.49Å; C98-A101 PolarHBondContact O-N 2.82Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.35Å; A101-G104 PolarHBondContact O-N 2.97Å; A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 3.25Å; A101-A190 HydrophobicContact CB-CB 4.13Å; A101-A190 WeakPolarHBondContact CB-O 3.28Å
102I98.8Very high98Very high49 Ų4937.3 Ų37.325%0.25122%0.216SC..Hα-helixtrans-59.4-46.5173.6-68.1163.4000110C98 L99 A105 G106 F193 M197 V198C98-I102 WeakPolarHBondContact O-CG1 3.36Å; C98-I102 PolarHBondContact O-N 3.01Å; L99-I102 PolarHBondContact O-N 3.48Å; I102-A105 PolarHBondContact O-N 2.76Å; I102-G106 PolarHBondContact O-N 2.83Å; I102-F193 HydrophobicContact CD1-CD1 4.26Å; I102-F193 HydrophobicContact CD1-CE1 3.6Å; I102-F193 HydrophobicContact CD1-CZ 4.36Å; I102-F193 HydrophobicContact CG1-CD1 4.32Å; I102-F193 HydrophobicContact CG1-CE1 4.13Å; I102-M197 HydrophobicContact CD1-CB 4.39Å; I102-M197 HydrophobicContact CD1-CG 4.19Å; I102-M197 HydrophobicContact CG1-CB 4.01Å; I102-M197 HydrophobicContact CG1-CG 4.19Å; I102-V198 HydrophobicContact CG2-CG2 4.42Å
103T98.8Very high97.8Very high48 Ų4836.7 Ų36.729%0.29422%0.219SC..Hα-helixtrans-65-44.9-178.6-56.10000111.5Y20 V24 L99 G100 A101 G106 I107Y20-T103 PolarHBondContact OH-OG1 2.91Å; V24-T103 HydrophobicContact CG2-CG2 4.24Å; L99-T103 WeakPolarHBondContact O-CB 3.35Å; L99-T103 PolarHBondContact O-N 2.82Å; L99-T103 PolarHBondContact O-OG1 3.24Å; G100-T103 PolarHBondContact O-N 2.94Å; A101-T103 VanDerWaalsContact C-N 3.32Å; A101-T103 PolarHBondContact O-N 3.35Å; T103-G106 PolarHBondContact O-N 3.25Å; T103-I107 HydrophobicContact CG2-CD1 3.97Å; T103-I107 HydrophobicContact CG2-CG1 4.46Å; T103-I107 VanDerWaalsContact O-CG1 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.34Å; T103-I107 PolarHBondContact O-N 2.68Å
104G98.6Very high97.5Very high0 Ų040.4 Ų40.40%025%0.25CC..Hα-helixtrans-60.8-45.6176.600000112.5G100 A101 I107 L108G100-G104 PolarHBondContact O-N 2.95Å; A101-G104 PolarHBondContact O-N 2.97Å; G104-I107 PolarHBondContact O-N 3.43Å; G104-L108 PolarHBondContact O-N 3.41Å
105A98.3Very high97Very high0 Ų045.1 Ų45.10%027%0.273CS..Hα-helixtrans-65.6-37.5174.800000112.4V27 L31 A101 I102 L108 Y109 L120 P195 V198V27-A105 HydrophobicContact CG1-CB 4.15Å; L31-A105 HydrophobicContact CD1-CB 3.98Å; A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 3.25Å; I102-A105 PolarHBondContact O-N 2.76Å; A105-L108 PolarHBondContact O-N 3.25Å; A105-Y109 WeakPolarHBondContact O-CB 3.31Å; A105-Y109 PolarHBondContact O-N 3.38Å; A105-L120 HydrophobicContact CB-CD2 4.25Å; A105-P195 HydrophobicContact CB-CB 4.23Å; A105-V198 HydrophobicContact CB-CG2 3.89Å
106G98.2Very high96.6Very high28 Ų2842.9 Ų42.929%0.28926%0.26SS..Hα-helixtrans-66.8-40.8177.100000112.7I102 T103 Y109 A110I102-G106 PolarHBondContact O-N 2.83Å; T103-G106 PolarHBondContact O-N 3.25Å; G106-Y109 PolarHBondContact O-N 3Å; G106-A110 WeakPolarHBondContact O-CB 3.38Å; G106-A110 PolarHBondContact O-N 3.49Å
107I98.4Very high96.1Very high69 Ų6944.6 Ų44.635%0.35427%0.265SS..Hα-helixtrans-60.7-48.1171.9-68.1165.1000109.5V24 L28 T103 G104 Y109 A110 V111V24-I107 HydrophobicContact CG1-CD1 4.12Å; L28-I107 HydrophobicContact CD1-CB 4.19Å; L28-I107 HydrophobicContact CD1-CG2 3.8Å; L28-I107 HydrophobicContact CD2-CG2 4.04Å; T103-I107 HydrophobicContact CG2-CD1 3.97Å; T103-I107 HydrophobicContact CG2-CG1 4.46Å; T103-I107 VanDerWaalsContact O-CG1 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.34Å; T103-I107 PolarHBondContact O-N 2.68Å; G104-I107 PolarHBondContact O-N 3.43Å; I107-Y109 VanDerWaalsContact C-N 3.33Å; I107-Y109 PolarHBondContact O-N 2.93Å; I107-A110 PolarHBondContact O-N 2.84Å; I107-A110 VanDerWaalsContact O-N 3.13Å; I107-V111 HydrophobicContact CG2-CG1 4.44Å; I107-V111 WeakPolarHBondContact O-CG2 3.33Å; I107-V111 PolarHBondContact O-N 3.35Å
108L97.8Very high95.6Very high9 Ų947.6 Ų47.65%0.04730%0.296CS..Hα-helixtrans-57.7-47.1177.3-17662.8000111.4L28 L31 I35 G104 A105 A110 V111 T112 L120L28-L108 HydrophobicContact CD1-CB 3.82Å; L28-L108 HydrophobicContact CD1-CD1 4.33Å; L31-L108 HydrophobicContact CB-CD2 3.36Å; I35-L108 HydrophobicContact CG1-CD2 4.43Å; G104-L108 PolarHBondContact O-N 3.41Å; A105-L108 PolarHBondContact O-N 3.25Å; L108-A110 VanDerWaalsContact C-N 3.26Å; L108-A110 PolarHBondContact O-N 3.28Å; L108-V111 HydrophobicContact CD1-CG2 4.44Å; L108-V111 WeakPolarHBondContact O-CG2 3.38Å; L108-V111 PolarHBondContact O-N 2.84Å; L108-T112 WeakPolarHBondContact CD1-OG1 3.18Å; L108-T112 VanDerWaalsContact O-CB 3.25Å; L108-T112 WeakPolarHBondContact O-CB 3.35Å; L108-T112 PolarHBondContact O-N 2.89Å; L108-T112 PolarHBondContact O-OG1 2.99Å; L108-L120 HydrophobicContact CB-CD1 4.29Å; L108-L120 HydrophobicContact CD2-CD1 3.85Å; L108-L120 HydrophobicContact CD2-CG 4.3Å; L108-L120 HydrophobicContact CG-CD1 3.84Å
109Y96.8Very high95.1Very high104 Ų10451.4 Ų51.441%0.40831%0.312SS..Hα-helixtrans-55.7-42.8176.8-177-78.6000111.8A105 G106 I107 R117 L120 V198A105-Y109 WeakPolarHBondContact O-CB 3.31Å; A105-Y109 PolarHBondContact O-N 3.38Å; G106-Y109 PolarHBondContact O-N 3Å; I107-Y109 VanDerWaalsContact C-N 3.33Å; I107-Y109 PolarHBondContact O-N 2.93Å; Y109-R117 VanDerWaalsContact CD2-CD 3.43Å; Y109-R117 VanDerWaalsContact CE1-NH1 3.28Å; Y109-R117 VanDerWaalsContact O-CZ 3.24Å; Y109-R117 PolarHBondContact O-NE 3.27Å; Y109-R117 PolarHBondContact O-NH2 3.21Å; Y109-R117 PolarHBondContact OH-NH1 2.91Å; Y109-R117 VanDerWaalsContact OH-NH1 3.1Å; Y109-L120 HydrophobicContact CD2-CD2 4.3Å; Y109-V198 HydrophobicContact CD2-CG1 3.73Å; Y109-V198 HydrophobicContact CG-CG1 3.92Å
110A96.9Very high94.8Very high79 Ų7947.2 Ų47.265%0.65329%0.29SS*.Hα-helixtrans-70.4-37.6-178.500000113.4G106 I107 L108G106-A110 WeakPolarHBondContact O-CB 3.38Å; G106-A110 PolarHBondContact O-N 3.49Å; I107-A110 PolarHBondContact O-N 2.84Å; I107-A110 VanDerWaalsContact O-N 3.13Å; L108-A110 VanDerWaalsContact C-N 3.26Å; L108-A110 PolarHBondContact O-N 3.28Å
111V96.6Very high94.4Very high101 Ų10148 Ų4861%0.61230%0.298SS*.Hα-helixtrans-85.9-22.9-178.2-570000113.4I107 L108I107-V111 HydrophobicContact CG2-CG1 4.44Å; I107-V111 WeakPolarHBondContact O-CG2 3.33Å; I107-V111 PolarHBondContact O-N 3.35Å; L108-V111 HydrophobicContact CD1-CG2 4.44Å; L108-V111 WeakPolarHBondContact O-CG2 3.38Å; L108-V111 PolarHBondContact O-N 2.84Å
112T94.6Very high94.2Very high4 Ų448.7 Ų48.73%0.02530%0.303CS..SBendtrans-87125-179.1-59.10000111.1I35 L108 V116 R117I35-T112 HydrophobicContact CD1-CG2 4.4Å; I35-T112 HydrophobicContact CG1-CG2 4.37Å; I35-T112 HydrophobicContact CG2-CG2 3.86Å; L108-T112 WeakPolarHBondContact CD1-OG1 3.18Å; L108-T112 VanDerWaalsContact O-CB 3.25Å; L108-T112 WeakPolarHBondContact O-CB 3.35Å; L108-T112 PolarHBondContact O-N 2.89Å; L108-T112 PolarHBondContact O-OG1 2.99Å; T112-V116 HydrophobicContact CG2-CG2 3.82Å; T112-R117 HydrophobicContact CG2-CB 4.16Å; T112-R117 HydrophobicContact CG2-CG 4.38Å; T112-R117 PolarHBondContact O-NE 3.38Å; T112-R117 PolarHBondContact O-NH2 3.24Å
113P93.1Very high94.1Very high54 Ų5446.6 Ų46.635%0.35129%0.292SS..  trans-56.1146.6175.3-24.734.5000112.9W37 D115 V116 R117W37-P113 HydrophobicContact CH2-CG 4.32Å; W37-P113 HydrophobicContact CZ3-CG 4.25Å; P113-D115 VanDerWaalsContact C-N 3.27Å; P113-D115 WeakPolarHBondContact CB-OD1 3.38Å; P113-D115 PolarHBondContact O-N 3.45Å; P113-V116 HydrophobicContact CB-CG2 4.12Å; P113-V116 HydrophobicContact CG-CG2 4.34Å; P113-V116 PolarHBondContact O-N 3.33Å; P113-R117 WeakPolarHBondContact O-CB 3.24Å; P113-R117 PolarHBondContact O-N 2.64Å; P113-R117 VanDerWaalsContact O-N 3.13Å
114A90.8Very high93.9Very high77 Ų7748.5 Ų48.564%0.63630%0.299SS*.THydrogen-bonded Turntrans-65-29.2-170.900000113.7
115D89.1Confident93.8Very high138 Ų13849.8 Ų49.874%0.73831%0.306SS*.THydrogen-bonded Turntrans-70-33.7-179.755.9-54.9000113.2P113P113-D115 VanDerWaalsContact C-N 3.27Å; P113-D115 WeakPolarHBondContact CB-OD1 3.38Å; P113-D115 PolarHBondContact O-N 3.45Å
116V89.9Confident93.6Very high29 Ų2951.2 Ų51.218%0.17632%0.317CS..THydrogen-bonded Turntrans-100.8-9.6179-64.10000113.7I35 W37 T112 P113 G118I35-V116 HydrophobicContact CG2-CB 4.36Å; I35-V116 HydrophobicContact CG2-CG2 4.27Å; W37-V116 HydrophobicContact CE3-CG2 4.15Å; W37-V116 HydrophobicContact CH2-CG2 4.46Å; W37-V116 HydrophobicContact CZ3-CG2 4.11Å; T112-V116 HydrophobicContact CG2-CG2 3.82Å; P113-V116 HydrophobicContact CB-CG2 4.12Å; P113-V116 HydrophobicContact CG-CG2 4.34Å; P113-V116 PolarHBondContact O-N 3.33Å; V116-G118 PolarHBondContact O-N 2.89Å; V116-G118 VanDerWaalsContact O-N 3.16Å
117R87.9Confident93.3Very high43 Ų4355.9 Ų55.916%0.16235%0.345CS..  trans-59.7-30.9-172.6-165.8179.4-65.9151.4-2.2114.2Y109 T112 P113 H119 L120Y109-R117 VanDerWaalsContact CD2-CD 3.43Å; Y109-R117 VanDerWaalsContact CE1-NH1 3.28Å; Y109-R117 VanDerWaalsContact O-CZ 3.24Å; Y109-R117 PolarHBondContact O-NE 3.27Å; Y109-R117 PolarHBondContact O-NH2 3.21Å; Y109-R117 PolarHBondContact OH-NH1 2.91Å; Y109-R117 VanDerWaalsContact OH-NH1 3.1Å; T112-R117 HydrophobicContact CG2-CB 4.16Å; T112-R117 HydrophobicContact CG2-CG 4.38Å; T112-R117 PolarHBondContact O-NE 3.38Å; T112-R117 PolarHBondContact O-NH2 3.24Å; P113-R117 WeakPolarHBondContact O-CB 3.24Å; P113-R117 PolarHBondContact O-N 2.64Å; P113-R117 VanDerWaalsContact O-N 3.13Å; R117-H119 PolarHBondContact O-N 2.98Å; R117-L120 HydrophobicContact CG-CD1 3.93Å; R117-L120 PolarHBondContact O-N 2.94Å
118G87.6Confident93.2Very high64 Ų6461.7 Ų61.766%0.6637%0.367SS*.THydrogen-bonded Turntrans51.3-122.8179.200000112.8V116V116-G118 PolarHBondContact O-N 2.89Å; V116-G118 VanDerWaalsContact O-N 3.16Å
119H88.6Confident93.1Very high94 Ų9463.1 Ų63.144%0.43538%0.375SS..THydrogen-bonded Turntrans-102.912.5178.1-61.2-28000114R117 G121 V122 K201R117-H119 PolarHBondContact O-N 2.98Å; H119-G121 PolarHBondContact O-N 3.49Å; H119-G121 VanDerWaalsContact O-N 3.08Å; H119-V122 WeakPolarHBondContact O-CG2 3.38Å; H119-V122 PolarHBondContact O-N 3.22Å; H119-V122 VanDerWaalsContact O-N 3.1Å; H119-K201 PolarHBondContact CE1-NZ 2.96Å; H119-K201 PolarHBondContact ND1-NZ 3.5Å
120L91.8Very high93.1Very high1 Ų161.1 Ų61.11%0.00538%0.376CS..THydrogen-bonded Turntrans54.628.6178.2-156.774.8000113.8A105 L108 Y109 R117 V122 P195 V198 T199A105-L120 HydrophobicContact CB-CD2 4.25Å; L108-L120 HydrophobicContact CB-CD1 4.29Å; L108-L120 HydrophobicContact CD2-CD1 3.85Å; L108-L120 HydrophobicContact CD2-CG 4.3Å; L108-L120 HydrophobicContact CG-CD1 3.84Å; Y109-L120 HydrophobicContact CD2-CD2 4.3Å; R117-L120 HydrophobicContact CG-CD1 3.93Å; R117-L120 PolarHBondContact O-N 2.94Å; L120-V122 VanDerWaalsContact C-N 3.29Å; L120-V122 PolarHBondContact O-N 3.34Å; L120-P195 HydrophobicContact CD2-CB 4.3Å; L120-V198 HydrophobicContact CD2-CB 4.24Å; L120-V198 HydrophobicContact CD2-CG1 3.87Å; L120-T199 HydrophobicContact CB-CG2 3.89Å; L120-T199 HydrophobicContact CD2-CG2 3.95Å
121G91.3Very high93Very high16 Ų1660.5 Ų60.517%0.16536%0.361CS..THydrogen-bonded Turntrans64.625.5-178.600000115.3L31 T34 H119 T123 R191L31-G121 WeakPolarHBondContact CD2-O 3.22Å; T34-G121 VanDerWaalsContact OG1-CA 3.26Å; T34-G121 WeakPolarHBondContact OG1-CA 3.18Å; H119-G121 PolarHBondContact O-N 3.49Å; H119-G121 VanDerWaalsContact O-N 3.08Å; G121-T123 PolarHBondContact O-N 2.89Å; G121-R191 PolarHBondContact O-NH1 3.35Å
122V95.3Very high93.1Very high16 Ų1658 Ų5810%0.09736%0.356CS..  trans-56135.3168.8172.80000109.8H119 L120 M124 P195 T199 K201H119-V122 WeakPolarHBondContact O-CG2 3.38Å; H119-V122 PolarHBondContact O-N 3.22Å; H119-V122 VanDerWaalsContact O-N 3.1Å; L120-V122 VanDerWaalsContact C-N 3.29Å; L120-V122 PolarHBondContact O-N 3.34Å; V122-M124 HydrophobicContact CG1-CG 4.34Å; V122-P195 HydrophobicContact CG2-CB 3.78Å; V122-P195 HydrophobicContact CG2-CG 4.28Å; V122-T199 HydrophobicContact CG2-CG2 4.45Å; V122-T199 WeakPolarHBondContact CG2-OG1 3.32Å; V122-K201 HydrophobicContact CG1-CB 4.27Å
123T95.3Very high93.2Very high4 Ų463.3 Ų63.33%0.02538%0.38CS..  trans-72.3130174.645.30000109.9G121 S192 Y208G121-T123 PolarHBondContact O-N 2.89Å; T123-S192 WeakPolarHBondContact CG2-OG 3.34Å; T123-S192 VanDerWaalsContact OG1-CB 3.31Å; T123-S192 WeakPolarHBondContact OG1-CB 3.25Å; T123-S192 PolarHBondContact OG1-OG 2.8Å; T123-Y208 VanDerWaalsContact CB-CZ 3.45Å; T123-Y208 HydrophobicContact CG2-CE1 4.48Å; T123-Y208 WeakPolarHBondContact O-CE2 3.35Å; T123-Y208 PolarHBondContact O-OH 3.06Å; T123-Y208 WeakPolarHBondContact OG1-CD2 3.45Å; T123-Y208 WeakPolarHBondContact OG1-CE2 3.44Å
124M94.8Very high93.4Very high89 Ų8960.7 Ų60.744%0.43836%0.363SS..  trans-134.4134.2-179.2-63.3-174.5-61.800109.7V122 S126 T183 Y208V122-M124 HydrophobicContact CG1-CG 4.34Å; M124-S126 PolarHBondContact O-N 2.88Å; M124-T183 PolarHBondContact N-O 3.01Å; M124-T183 CarbonylContact O-C 3.17Å; M124-T183 WeakPolarHBondContact O-CA 3.36Å; M124-Y208 VanDerWaalsContact CA-OH 3.25Å; M124-Y208 WeakPolarHBondContact CA-OH 3.32Å; M124-Y208 PolarHBondContact N-OH 3.33Å
125V95.9Very high93.8Very high26 Ų2658.7 Ų58.716%0.15834%0.342CS..  trans-71129.1174.3179.40000108.4S127 I129 L131 A134 N204 Y208V125-S127 PolarHBondContact O-N 3.37Å; V125-I129 HydrophobicContact CG1-CD1 4.23Å; V125-I129 HydrophobicContact CG1-CG1 3.9Å; V125-L131 HydrophobicContact CG1-CD2 4.39Å; V125-A134 HydrophobicContact CB-CB 4.49Å; V125-A134 HydrophobicContact CG1-CB 3.69Å; V125-A134 HydrophobicContact CG2-CB 3.97Å; V125-N204 HydrophobicContact CG2-CB 4.09Å; V125-Y208 PolarHBondContact N-OH 2.93Å; V125-Y208 VanDerWaalsContact N-OH 3.12Å
126S94.1Very high94.2Very high31 Ų3156.4 Ų56.422%0.21733%0.329CS..  trans-59.9134.1176179.10000110.7M124 K128 I129 P181 Y182M124-S126 PolarHBondContact O-N 2.88Å; S126-K128 PolarHBondContact O-N 3.17Å; S126-K128 PolarHBondContact OG-N 3.38Å; S126-I129 WeakPolarHBondContact O-CG1 3.07Å; S126-I129 PolarHBondContact O-N 3.34Å; S126-I129 VanDerWaalsContact O-N 3.15Å; S126-P181 WeakPolarHBondContact CB-O 3.39Å; S126-Y182 VanDerWaalsContact CB-O 3.25Å; S126-Y182 WeakPolarHBondContact CB-O 3.17Å; S126-Y182 PolarHBondContact N-O 3.1Å
127S93.6Very high94.6Very high126 Ų12655.7 Ų55.788%0.88133%0.325SS*.THydrogen-bonded Turntrans-63.1-12.3177.257.50000113.6V125V125-S127 PolarHBondContact O-N 3.37Å
128K94.9Very high95.1Very high190 Ų19053.7 Ų53.783%0.82632%0.317SS*.THydrogen-bonded Turntrans-85.7-8.6179.2-61.2-178.1-178.9176.50113.8S126S126-K128 PolarHBondContact O-N 3.17Å; S126-K128 PolarHBondContact OG-N 3.38Å
129I95.3Very high95.6Very high40 Ų4052 Ų5221%0.20529%0.293CS..SBendtrans-124.8152-176.770.2173.8000111.5V125 S126 H133 A134 Y182 T183V125-I129 HydrophobicContact CG1-CD1 4.23Å; V125-I129 HydrophobicContact CG1-CG1 3.9Å; S126-I129 WeakPolarHBondContact O-CG1 3.07Å; S126-I129 PolarHBondContact O-N 3.34Å; S126-I129 VanDerWaalsContact O-N 3.15Å; I129-H133 HydrophobicContact CB-CB 4.25Å; I129-A134 HydrophobicContact CD1-CB 3.92Å; I129-Y182 HydrophobicContact CD1-CD1 4.14Å; I129-Y182 VanDerWaalsContact CD1-O 3.32Å; I129-Y182 WeakPolarHBondContact CD1-O 3.45Å; I129-Y182 HydrophobicContact CG2-CD1 4.28Å; I129-T183 HydrophobicContact CD1-CG2 4.36Å
130S96.9Very high96.1Very high62 Ų6251.8 Ų51.843%0.43430%0.295SS..  trans-78.3159.7172.880.10000111.6G132 H133 A134S130-G132 PolarHBondContact O-N 3.43Å; S130-H133 WeakPolarHBondContact O-CB 3.46Å; S130-H133 PolarHBondContact O-N 2.96Å; S130-H133 PolarHBondContact OG-ND1 3.43Å; S130-A134 PolarHBondContact O-N 3.36Å
131L96.5Very high96.4Very high66 Ų6652.1 Ų52.135%0.34630%0.296SS..Hα-helixtrans-58.7-32.5177.5-59.2180000113V125 A134 L135 N204 W206V125-L131 HydrophobicContact CG1-CD2 4.39Å; L131-A134 PolarHBondContact O-N 2.97Å; L131-L135 WeakPolarHBondContact O-CB 3.37Å; L131-L135 PolarHBondContact O-N 3.4Å; L131-N204 HydrophobicContact CD2-CB 3.98Å; L131-N204 VanDerWaalsContact CD2-CG 3.43Å; L131-N204 WeakPolarHBondContact CD2-OD1 3.41Å; L131-W206 HydrophobicContact CB-CZ2 4.31Å; L131-W206 HydrophobicContact CD1-CZ2 4.24Å
132G97.3Very high96.8Very high48 Ų4851.3 Ų51.350%0.49529%0.288SS..Hα-helixtrans-65.5-40.3175.100000112.7S130 L135 L136S130-G132 PolarHBondContact O-N 3.43Å; G132-L135 PolarHBondContact O-N 3.45Å; G132-L136 PolarHBondContact O-N 2.91Å
133H97.4Very high96.9Very high115 Ų11552.8 Ų52.853%0.53229%0.293SS..Hα-helixtrans-67.1-42.3174.3-66.799.1000111.3I129 S130 L135 L136 V137I129-H133 HydrophobicContact CB-CB 4.25Å; S130-H133 WeakPolarHBondContact O-CB 3.46Å; S130-H133 PolarHBondContact O-N 2.96Å; S130-H133 PolarHBondContact OG-ND1 3.43Å; H133-L135 VanDerWaalsContact C-N 3.33Å; H133-L135 PolarHBondContact O-N 3.48Å; H133-L136 PolarHBondContact O-N 2.9Å; H133-V137 WeakPolarHBondContact O-CG2 3.29Å; H133-V137 PolarHBondContact O-N 3.44Å
134A97.6Very high97.1Very high0 Ų055.2 Ų55.20%030%0.304CS..Hα-helixtrans-58.8-44.6175.800000111.8V125 I129 S130 L131 V137 E138 T183 V207V125-A134 HydrophobicContact CB-CB 4.49Å; V125-A134 HydrophobicContact CG1-CB 3.69Å; V125-A134 HydrophobicContact CG2-CB 3.97Å; I129-A134 HydrophobicContact CD1-CB 3.92Å; S130-A134 PolarHBondContact O-N 3.36Å; L131-A134 PolarHBondContact O-N 2.97Å; A134-V137 PolarHBondContact O-N 2.94Å; A134-E138 WeakPolarHBondContact O-CG 3.49Å; A134-E138 PolarHBondContact O-N 3.49Å; A134-T183 HydrophobicContact CB-CG2 3.71Å; A134-V207 HydrophobicContact CB-CG1 4.15Å
135L98.3Very high97.3Very high35 Ų3551.3 Ų51.318%0.18329%0.285CS..Hα-helixtrans-62.7-42.3176.2-176.2126.6000112.3L131 G132 H133 E138 L139 W206 V207 L210L131-L135 WeakPolarHBondContact O-CB 3.37Å; L131-L135 PolarHBondContact O-N 3.4Å; G132-L135 PolarHBondContact O-N 3.45Å; H133-L135 VanDerWaalsContact C-N 3.33Å; H133-L135 PolarHBondContact O-N 3.48Å; L135-E138 PolarHBondContact O-N 3.43Å; L135-L139 VanDerWaalsContact O-CB 3.25Å; L135-L139 WeakPolarHBondContact O-CB 3.03Å; L135-L139 PolarHBondContact O-N 2.89Å; L135-W206 HydrophobicContact CD1-CE3 4.38Å; L135-W206 HydrophobicContact CD1-CH2 4.08Å; L135-W206 HydrophobicContact CD1-CZ3 3.5Å; L135-W206 VanDerWaalsContact CD1-CZ3 3.5Å; L135-V207 HydrophobicContact CB-CG1 4.26Å; L135-L210 HydrophobicContact CD1-CB 4.22Å; L135-L210 HydrophobicContact CD1-CD2 3.86Å; L135-L210 HydrophobicContact CD1-CG 4.1Å
136L98.2Very high97.4Very high90 Ų9050.1 Ų50.147%0.47128%0.278SS..Hα-helixtrans-63.9-42.8176.5-179.861.2000111.8G132 H133 L139 L140G132-L136 PolarHBondContact O-N 2.91Å; H133-L136 PolarHBondContact O-N 2.9Å; L136-L139 PolarHBondContact O-N 3.22Å; L136-L140 HydrophobicContact CD1-CD1 4.11Å; L136-L140 HydrophobicContact CD1-CG 4.13Å; L136-L140 HydrophobicContact CG-CD1 4.06Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 VanDerWaalsContact O-CG 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.33Å
137V98.3Very high97.6Very high14 Ų1451.4 Ų51.49%0.08528%0.28CS..Hα-helixtrans-58.7-53.1176.1168.70000110.3H133 A134 L139 L140 I141 F178 A179 Y182H133-V137 WeakPolarHBondContact O-CG2 3.29Å; H133-V137 PolarHBondContact O-N 3.44Å; A134-V137 PolarHBondContact O-N 2.94Å; V137-L139 VanDerWaalsContact C-N 3.28Å; V137-L139 PolarHBondContact O-N 3.38Å; V137-L140 PolarHBondContact O-N 3.22Å; V137-L140 VanDerWaalsContact O-N 3.14Å; V137-I141 WeakPolarHBondContact O-CG1 3.45Å; V137-I141 PolarHBondContact O-N 3.17Å; V137-F178 HydrophobicContact CG1-CE1 4.1Å; V137-A179 HydrophobicContact CG1-CB 3.67Å; V137-Y182 HydrophobicContact CG1-CG 4.39Å; V137-Y182 HydrophobicContact CG2-CD1 4Å; V137-Y182 HydrophobicContact CG2-CG 4.13Å
138E98.5Very high97.7Very high0 Ų046.7 Ų46.70%025%0.246CC..Hα-helixtrans-60.8-36.4179.7-74.2-65.5165.700113A134 L135 I141 T142 T183 S186 M187 V207 Y208 P212A134-E138 WeakPolarHBondContact O-CG 3.49Å; A134-E138 PolarHBondContact O-N 3.49Å; L135-E138 PolarHBondContact O-N 3.43Å; E138-I141 WeakPolarHBondContact O-CG1 3.33Å; E138-T142 WeakPolarHBondContact O-CB 3.47Å; E138-T142 PolarHBondContact O-N 2.96Å; E138-T142 PolarHBondContact O-OG1 2.84Å; E138-T183 HydrophobicContact CG-CG2 4.26Å; E138-T183 WeakPolarHBondContact OE1-CB 3.16Å; E138-T183 PolarHBondContact OE1-OG1 3.32Å; E138-S186 WeakPolarHBondContact OE1-CB 3.42Å; E138-S186 PolarHBondContact OE1-N 2.73Å; E138-S186 VanDerWaalsContact OE2-CB 3.31Å; E138-S186 WeakPolarHBondContact OE2-CB 3.33Å; E138-S186 PolarHBondContact OE2-N 2.87Å; E138-M187 PolarHBondContact OE2-N 3.5Å; E138-V207 HydrophobicContact CG-CG1 4.32Å; E138-Y208 HydrophobicContact CG-CD1 4.23Å; E138-Y208 HydrophobicContact CG-CE1 4.43Å; E138-P212 HydrophobicContact CB-CG 4.34Å
139L98.6Very high97.8Very high30 Ų3038.8 Ų38.816%0.15721%0.212CC..Hα-helixtrans-62.1-49.9173.5-176.8159.2000111.1L135 L136 V137 T142 F143 G211 L214 G215 L218L135-L139 VanDerWaalsContact O-CB 3.25Å; L135-L139 WeakPolarHBondContact O-CB 3.03Å; L135-L139 PolarHBondContact O-N 2.89Å; L136-L139 PolarHBondContact O-N 3.22Å; V137-L139 VanDerWaalsContact C-N 3.28Å; V137-L139 PolarHBondContact O-N 3.38Å; L139-T142 PolarHBondContact O-N 3.26Å; L139-F143 WeakPolarHBondContact O-CB 3.28Å; L139-F143 PolarHBondContact O-N 3.46Å; L139-G211 WeakPolarHBondContact CA-O 3.31Å; L139-L214 HydrophobicContact CD1-CB 4.13Å; L139-G215 WeakPolarHBondContact O-CA 3.5Å; L139-L218 HydrophobicContact CD2-CD2 4.35Å
140L98.6Very high97.8Very high89 Ų8937.2 Ų37.247%0.46620%0.204SC..Hα-helixtrans-68.2-43.9-174.9-70.7174.4000112.9L136 V137 T142 F143 E144L136-L140 HydrophobicContact CD1-CD1 4.11Å; L136-L140 HydrophobicContact CD1-CG 4.13Å; L136-L140 HydrophobicContact CG-CD1 4.06Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 VanDerWaalsContact O-CG 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.33Å; V137-L140 PolarHBondContact O-N 3.22Å; V137-L140 VanDerWaalsContact O-N 3.14Å; L140-T142 VanDerWaalsContact C-N 3.32Å; L140-T142 PolarHBondContact O-N 3.16Å; L140-F143 WeakPolarHBondContact O-CB 3.35Å; L140-F143 PolarHBondContact O-N 2.93Å; L140-E144 PolarHBondContact O-N 3.23Å
141I98.4Very high97.7Very high7 Ų735 Ų354%0.03619%0.189CC..Hα-helixtrans-67-3617862.7-179.6000111.6V137 E138 L145 F178 A179 M187V137-I141 WeakPolarHBondContact O-CG1 3.45Å; V137-I141 PolarHBondContact O-N 3.17Å; E138-I141 WeakPolarHBondContact O-CG1 3.33Å; I141-L145 PolarHBondContact O-N 3.36Å; I141-F178 HydrophobicContact CG2-CD1 3.76Å; I141-F178 HydrophobicContact CG2-CE1 4.3Å; I141-A179 HydrophobicContact CD1-CB 3.49Å; I141-A179 VanDerWaalsContact CD1-CB 3.49Å; I141-A179 HydrophobicContact CG2-CB 3.95Å; I141-M187 HydrophobicContact CB-CE 4.17Å; I141-M187 HydrophobicContact CB-CG 4.19Å; I141-M187 HydrophobicContact CD1-CG 3.41Å; I141-M187 VanDerWaalsContact CD1-CG 3.41Å; I141-M187 HydrophobicContact CD1-SD 4.42Å; I141-M187 HydrophobicContact CG1-CG 3.64Å; I141-M187 VanDerWaalsContact O-CE 3.23Å; I141-M187 WeakPolarHBondContact O-CE 3.31Å
142T98.6Very high97.5Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-75.4-31.9176.9-47.10000111.6A74 E138 L139 L140 L145 V146 M187 P212A74-T142 HydrophobicContact CB-CG2 3.98Å; E138-T142 WeakPolarHBondContact O-CB 3.47Å; E138-T142 PolarHBondContact O-N 2.96Å; E138-T142 PolarHBondContact O-OG1 2.84Å; L139-T142 PolarHBondContact O-N 3.26Å; L140-T142 VanDerWaalsContact C-N 3.32Å; L140-T142 PolarHBondContact O-N 3.16Å; T142-L145 PolarHBondContact O-N 3.34Å; T142-V146 HydrophobicContact CG2-CG2 4.18Å; T142-V146 WeakPolarHBondContact O-CB 3.25Å; T142-V146 WeakPolarHBondContact O-CG2 3.15Å; T142-V146 PolarHBondContact O-N 2.73Å; T142-M187 WeakPolarHBondContact OG1-CA 3.39Å; T142-P212 HydrophobicContact CG2-CB 3.9Å; T142-P212 WeakPolarHBondContact CG2-O 3.24Å; T142-P212 VanDerWaalsContact OG1-CA 3.32Å; T142-P212 WeakPolarHBondContact OG1-CA 3.5Å; T142-P212 WeakPolarHBondContact OG1-CB 3.04Å
143F98.6Very high97.3Very high46 Ų4634.9 Ų34.920%0.20218%0.184CC..Hα-helixtrans-58.2-50.2171.5172.1-84000110.7L139 L140 L145 V146 F147 G215 L218 A219 L222L139-F143 WeakPolarHBondContact O-CB 3.28Å; L139-F143 PolarHBondContact O-N 3.46Å; L140-F143 WeakPolarHBondContact O-CB 3.35Å; L140-F143 PolarHBondContact O-N 2.93Å; F143-L145 PolarHBondContact O-N 3Å; F143-V146 PolarHBondContact O-N 3.41Å; F143-F147 HydrophobicContact CE1-CB 4.49Å; F143-F147 HydrophobicContact CZ-CD2 4.27Å; F143-F147 WeakPolarHBondContact O-CB 3.47Å; F143-F147 PolarHBondContact O-N 2.94Å; F143-G215 WeakPolarHBondContact CA-O 3.4Å; F143-L218 HydrophobicContact CD2-CB 4.2Å; F143-L218 HydrophobicContact CD2-CD2 4.14Å; F143-L218 HydrophobicContact CD2-CG 4.04Å; F143-L218 HydrophobicContact CE2-CD2 4.39Å; F143-L218 HydrophobicContact CE2-CG 4.08Å; F143-A219 HydrophobicContact CB-CB 4.43Å; F143-A219 VanDerWaalsContact CD2-CA 3.49Å; F143-A219 HydrophobicContact CD2-CB 3.55Å; F143-A219 VanDerWaalsContact CE2-CA 3.41Å; F143-A219 HydrophobicContact CE2-CB 3.88Å; F143-A219 HydrophobicContact CG-CB 4.03Å; F143-A219 VanDerWaalsContact O-CB 3.27Å; F143-A219 WeakPolarHBondContact O-CB 3.24Å; F143-L222 HydrophobicContact CE2-CD2 3.93Å; F143-L222 HydrophobicContact CZ-CD2 3.88Å
144E98.4Very high96.9Very high56 Ų5629.9 Ų29.926%0.26216%0.161SC..Hα-helixtrans-59.6-44.8178.7177.4-84.516500112L140 F147 T148 A171L140-E144 PolarHBondContact O-N 3.23Å; E144-F147 PolarHBondContact O-N 3.13Å; E144-T148 WeakPolarHBondContact O-CB 3.15Å; E144-T148 PolarHBondContact O-N 3.36Å; E144-T148 PolarHBondContact O-OG1 2.93Å; E144-A171 WeakPolarHBondContact OE1-CA 3.42Å; E144-A171 VanDerWaalsContact OE1-CB 3.24Å; E144-A171 WeakPolarHBondContact OE1-CB 3.27Å
145L98.4Very high96.4Very high7 Ų735.5 Ų35.54%0.03720%0.198CC..Hα-helixtrans-59.3-53.2175.6172.460.6000112.4I141 T142 F143 F147 T148 I149 I168 A171 V172 M187I141-L145 PolarHBondContact O-N 3.36Å; T142-L145 PolarHBondContact O-N 3.34Å; F143-L145 PolarHBondContact O-N 3Å; L145-F147 VanDerWaalsContact C-N 3.33Å; L145-F147 PolarHBondContact O-N 2.99Å; L145-T148 WeakPolarHBondContact O-CB 3.22Å; L145-T148 PolarHBondContact O-N 2.85Å; L145-I149 HydrophobicContact CD1-CD1 4.07Å; L145-I149 HydrophobicContact CD1-CG1 4.43Å; L145-I149 HydrophobicContact CG-CD1 4.1Å; L145-I149 WeakPolarHBondContact O-CG1 3.45Å; L145-I149 PolarHBondContact O-N 3.13Å; L145-I168 HydrophobicContact CD1-CG2 3.94Å; L145-A171 HydrophobicContact CD1-CB 4.11Å; L145-V172 HydrophobicContact CD1-CG2 3.6Å; L145-V172 HydrophobicContact CD2-CG2 4.08Å; L145-V172 HydrophobicContact CG-CG2 4.45Å; L145-M187 HydrophobicContact CB-CE 3.71Å; L145-M187 HydrophobicContact CD2-CB 4.45Å; L145-M187 HydrophobicContact CD2-CE 4.02Å; L145-M187 HydrophobicContact CG-CE 4.39Å
146V98.4Very high95.8Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-69.5-35.3-176175.30000111V75 A78 T142 F143 T148 I149 F150 G216 A219 A220V75-V146 HydrophobicContact CG2-CG2 4.03Å; A78-V146 HydrophobicContact CB-CG1 3.85Å; T142-V146 HydrophobicContact CG2-CG2 4.18Å; T142-V146 WeakPolarHBondContact O-CB 3.25Å; T142-V146 WeakPolarHBondContact O-CG2 3.15Å; T142-V146 PolarHBondContact O-N 2.73Å; F143-V146 PolarHBondContact O-N 3.41Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.41Å; V146-I149 PolarHBondContact O-N 3.3Å; V146-F150 HydrophobicContact CG1-CD2 3.73Å; V146-F150 HydrophobicContact CG1-CE2 3.76Å; V146-F150 WeakPolarHBondContact O-CD2 3.43Å; V146-F150 PolarHBondContact O-N 3.47Å; V146-G216 WeakPolarHBondContact CG1-O 3.25Å; V146-A219 HydrophobicContact CB-CB 3.89Å; V146-A219 HydrophobicContact CG1-CB 3.96Å; V146-A220 HydrophobicContact CG1-CB 4.47Å
147F97.8Very high95.2Very high58 Ų5838 Ų3825%0.25420%0.201SC..Hα-helixtrans-60.9-43.9173.1-170-88.5000110.7F143 E144 L145 I149 F150 A151 A219 Y223 Y227F143-F147 HydrophobicContact CE1-CB 4.49Å; F143-F147 HydrophobicContact CZ-CD2 4.27Å; F143-F147 WeakPolarHBondContact O-CB 3.47Å; F143-F147 PolarHBondContact O-N 2.94Å; E144-F147 PolarHBondContact O-N 3.13Å; L145-F147 VanDerWaalsContact C-N 3.33Å; L145-F147 PolarHBondContact O-N 2.99Å; F147-I149 PolarHBondContact O-N 2.91Å; F147-F150 PolarHBondContact O-N 3.24Å; F147-A151 HydrophobicContact CE1-CB 4.47Å; F147-A151 VanDerWaalsContact O-CB 3.26Å; F147-A151 WeakPolarHBondContact O-CB 3.18Å; F147-A151 PolarHBondContact O-N 3.18Å; F147-A219 HydrophobicContact CB-CB 4.07Å; F147-Y223 HydrophobicContact CD2-CD2 4.39Å; F147-Y223 AromaticContact CE2-CD2 3.93Å; F147-Y223 HydrophobicContact CE2-CD2 3.93Å; F147-Y223 HydrophobicContact CZ-CD2 4.03Å; F147-Y227 AromaticContact CE2-CD2 3.9Å; F147-Y227 HydrophobicContact CE2-CD2 3.9Å; F147-Y227 HydrophobicContact CE2-CE2 4.14Å; F147-Y227 HydrophobicContact CZ-CD2 4.21Å; F147-Y227 HydrophobicContact CZ-CE2 4.44Å
148T97.2Very high94.6Very high28 Ų2843.7 Ų43.717%0.17224%0.236CC..Hα-helixtrans-60.3-43.6174.7-64.10000111.8E144 L145 V146 A151 T152 A167 I168 A171E144-T148 WeakPolarHBondContact O-CB 3.15Å; E144-T148 PolarHBondContact O-N 3.36Å; E144-T148 PolarHBondContact O-OG1 2.93Å; L145-T148 WeakPolarHBondContact O-CB 3.22Å; L145-T148 PolarHBondContact O-N 2.85Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.41Å; T148-A151 PolarHBondContact O-N 2.97Å; T148-T152 HydrophobicContact CG2-CG2 4.06Å; T148-T152 WeakPolarHBondContact O-CB 3.4Å; T148-T152 VanDerWaalsContact O-CG2 3.28Å; T148-T152 WeakPolarHBondContact O-CG2 3.47Å; T148-T152 PolarHBondContact O-N 3.49Å; T148-T152 PolarHBondContact O-OG1 3.25Å; T148-A167 HydrophobicContact CG2-CB 4.36Å; T148-I168 HydrophobicContact CG2-CG1 4.48Å; T148-A171 HydrophobicContact CG2-CB 4.11Å
149I96.8Very high93.8Very high23 Ų2349.1 Ų49.112%0.11826%0.264CS..Hα-helixtrans-59.4-51.5176.2-68.2165.2000110.6V75 L145 V146 F147 A151 T152 C153 I168V75-I149 HydrophobicContact CB-CD1 4.4Å; V75-I149 HydrophobicContact CG1-CD1 3.85Å; V75-I149 HydrophobicContact CG2-CD1 3.58Å; L145-I149 HydrophobicContact CD1-CD1 4.07Å; L145-I149 HydrophobicContact CD1-CG1 4.43Å; L145-I149 HydrophobicContact CG-CD1 4.1Å; L145-I149 WeakPolarHBondContact O-CG1 3.45Å; L145-I149 PolarHBondContact O-N 3.13Å; V146-I149 PolarHBondContact O-N 3.3Å; F147-I149 PolarHBondContact O-N 2.91Å; I149-A151 VanDerWaalsContact C-N 3.33Å; I149-A151 PolarHBondContact O-N 3.34Å; I149-T152 PolarHBondContact O-N 3.03Å; I149-C153 VanDerWaalsContact O-CB 3.25Å; I149-C153 WeakPolarHBondContact O-CB 3.35Å; I149-C153 PolarHBondContact O-N 2.97Å; I149-I168 HydrophobicContact CD1-CG2 4.33Å; I149-I168 HydrophobicContact CG1-CD1 3.87Å; I149-I168 HydrophobicContact CG1-CG1 3.74Å; I149-I168 HydrophobicContact CG1-CG2 3.97Å
150F95.3Very high92.9Very high8 Ų853.1 Ų53.14%0.03529%0.286CS..Hα-helixtrans-61.5-42.6179.8-88.1-108.6000111.5A78 M79 K84 V146 F147 D154 A220 Y223 E224A78-F150 HydrophobicContact CB-CE2 4.25Å; M79-F150 HydrophobicContact SD-CE2 3.93Å; M79-F150 HydrophobicContact SD-CZ 3.9Å; K84-F150 HydrophobicContact CD-CE1 4.17Å; K84-F150 HydrophobicContact CD-CZ 4.5Å; K84-F150 VanDerWaalsContact CE-CE1 3.44Å; V146-F150 HydrophobicContact CG1-CD2 3.73Å; V146-F150 HydrophobicContact CG1-CE2 3.76Å; V146-F150 WeakPolarHBondContact O-CD2 3.43Å; V146-F150 PolarHBondContact O-N 3.47Å; F147-F150 PolarHBondContact O-N 3.24Å; F150-D154 WeakPolarHBondContact O-CB 3.21Å; F150-D154 PolarHBondContact O-N 2.87Å; F150-A220 HydrophobicContact CD1-CB 4.48Å; F150-A220 HydrophobicContact CD2-CB 4.3Å; F150-A220 HydrophobicContact CE1-CB 3.85Å; F150-A220 HydrophobicContact CE2-CB 3.64Å; F150-A220 HydrophobicContact CZ-CB 3.39Å; F150-Y223 HydrophobicContact CB-CD1 3.73Å; F150-Y223 HydrophobicContact CB-CD2 4.27Å; F150-Y223 HydrophobicContact CB-CE1 4.24Å; F150-Y223 HydrophobicContact CB-CG 3.74Å; F150-Y223 AromaticContact CD1-CD1 3.99Å; F150-Y223 HydrophobicContact CD1-CD1 3.99Å; F150-Y223 HydrophobicContact CD1-CG 4.47Å; F150-Y223 HydrophobicContact CG-CD1 4.35Å; F150-E224 HydrophobicContact CD1-CG 4.02Å; F150-E224 HydrophobicContact CE1-CG 3.78Å
151A94.1Very high91.8Very high15 Ų1555 Ų5512%0.12431%0.306CS..Hα-helixtrans-72.6-29.6-178.200000114.7F147 T148 I149 R157 Y223F147-A151 HydrophobicContact CE1-CB 4.47Å; F147-A151 VanDerWaalsContact O-CB 3.26Å; F147-A151 WeakPolarHBondContact O-CB 3.18Å; F147-A151 PolarHBondContact O-N 3.18Å; T148-A151 PolarHBondContact O-N 2.97Å; I149-A151 VanDerWaalsContact C-N 3.33Å; I149-A151 PolarHBondContact O-N 3.34Å; A151-R157 WeakPolarHBondContact O-CD 3.33Å; A151-R157 PolarHBondContact O-NH1 3.49Å; A151-Y223 VanDerWaalsContact CA-CE2 3.46Å; A151-Y223 HydrophobicContact CB-CD2 4.22Å; A151-Y223 HydrophobicContact CB-CE2 3.56Å
152T93.4Very high91.1Very high36 Ų3658.3 Ų58.322%0.22134%0.342CS..Hα-helixtrans-94.9-24.5-176.957.70000112.9T148 I149 A167T148-T152 HydrophobicContact CG2-CG2 4.06Å; T148-T152 WeakPolarHBondContact O-CB 3.4Å; T148-T152 VanDerWaalsContact O-CG2 3.28Å; T148-T152 WeakPolarHBondContact O-CG2 3.47Å; T148-T152 PolarHBondContact O-N 3.49Å; T148-T152 PolarHBondContact O-OG1 3.25Å; I149-T152 PolarHBondContact O-N 3.03Å; T152-A167 HydrophobicContact CG2-CB 3.91Å
153C91.6Very high90.8Very high75 Ų7561 Ų6151%0.50736%0.36SS..SBendtrans-98.87176.3-59.40000113.5I149 P155I149-C153 VanDerWaalsContact O-CB 3.25Å; I149-C153 WeakPolarHBondContact O-CB 3.35Å; I149-C153 PolarHBondContact O-N 2.97Å; C153-P155 WeakPolarHBondContact O-CD 3.34Å
154D90.2Very high90.6Very high11 Ų1160.3 Ų60.36%0.05936%0.363CS..  trans-72.2117.5177.1-168.6-11.3000110.8F150 K156 R157 Y223 C228F150-D154 WeakPolarHBondContact O-CB 3.21Å; F150-D154 PolarHBondContact O-N 2.87Å; D154-K156 PolarHBondContact O-N 3.48Å; D154-K156 VanDerWaalsContact O-N 3.16Å; D154-K156 VanDerWaalsContact OD1-CB 3.3Å; D154-K156 WeakPolarHBondContact OD1-CB 3.31Å; D154-K156 WeakPolarHBondContact OD1-CE 3.1Å; D154-K156 WeakPolarHBondContact OD1-CG 3.46Å; D154-K156 PolarHBondContact OD1-N 3.01Å; D154-K156 WeakPolarHBondContact OD2-CE 3.42Å; D154-K156 IonicContact OD2-NZ 2.65Å; D154-R157 HydrophobicContact CB-CB 4.36Å; D154-R157 VanDerWaalsContact O-CB 3.3Å; D154-R157 WeakPolarHBondContact O-CB 3.28Å; D154-R157 PolarHBondContact O-N 3.29Å; D154-Y223 HydrophobicContact CB-CE1 4.2Å; D154-Y223 WeakPolarHBondContact CB-OH 3.32Å; D154-Y223 WeakPolarHBondContact OD2-CE1 3.43Å; D154-Y223 PolarHBondContact OD2-OH 3.23Å; D154-C228 PolarHBondContact OD2-SG 2.94Å
155P87.1Confident90.5Very high117 Ų11758 Ų5876%0.7635%0.354SS*.THydrogen-bonded Turntrans-63.4-17.8175.227.8-37000113.6C153 R157C153-P155 WeakPolarHBondContact O-CD 3.34Å; P155-R157 PolarHBondContact O-N 3.04Å
156K85.9Confident90.4Very high87 Ų8761.1 Ų61.138%0.37837%0.37SS..THydrogen-bonded Turntrans-75.1-14.3175-62172-66.7-175.90112.4D154 T158 C228D154-K156 PolarHBondContact O-N 3.48Å; D154-K156 VanDerWaalsContact O-N 3.16Å; D154-K156 VanDerWaalsContact OD1-CB 3.3Å; D154-K156 WeakPolarHBondContact OD1-CB 3.31Å; D154-K156 WeakPolarHBondContact OD1-CE 3.1Å; D154-K156 WeakPolarHBondContact OD1-CG 3.46Å; D154-K156 PolarHBondContact OD1-N 3.01Å; D154-K156 WeakPolarHBondContact OD2-CE 3.42Å; D154-K156 IonicContact OD2-NZ 2.65Å; K156-T158 PolarHBondContact O-N 2.97Å; K156-C228 WeakPolarHBondContact CE-SG 3.44Å; K156-C228 PolarHBondContact NZ-O 2.93Å; K156-C228 PolarHBondContact NZ-SG 3.06Å
157R84.6Confident90.3Very high92 Ų9262.8 Ų62.835%0.34738%0.384SS..  trans-81.6110.8179.5-172.2175.9179.2179-2.5110.2A151 D154 P155 D159A151-R157 WeakPolarHBondContact O-CD 3.33Å; A151-R157 PolarHBondContact O-NH1 3.49Å; D154-R157 HydrophobicContact CB-CB 4.36Å; D154-R157 VanDerWaalsContact O-CB 3.3Å; D154-R157 WeakPolarHBondContact O-CB 3.28Å; D154-R157 PolarHBondContact O-N 3.29Å; P155-R157 PolarHBondContact O-N 3.04Å; R157-D159 WeakPolarHBondContact CG-OD1 3.33Å; R157-D159 IonicContact NE-OD1 3.38Å; R157-D159 PolarHBondContact NE-OD1 3.45Å
158T85.3Confident90.4Very high133 Ų13360.4 Ų60.482%0.81637%0.374SS*.  trans-120.1-2.8-176.960.90000113.8K156K156-T158 PolarHBondContact O-N 2.97Å
159D83.2Confident90.4Very high113 Ų11359.2 Ų59.260%0.60437%0.366SS*.SBendtrans-83.2-38-171.963.5-34000113.4R157R157-D159 WeakPolarHBondContact CG-OD1 3.33Å; R157-D159 IonicContact NE-OD1 3.38Å; R157-D159 PolarHBondContact NE-OD1 3.45Å
160L80Confident90.5Very high115 Ų11562.9 Ų62.960%0.60238%0.382SS*.  trans-119.4129.2179.4-88.379.7000110.9
161S75.1Confident90.6Very high129 Ų12962.6 Ų62.690%0.90238%0.381SS*.  trans-100.9129.9167.455.70000109.6
162G82.9Confident90.8Very high76 Ų7662.2 Ų62.278%0.78438%0.377SS*.  trans-172.8176.5-176.500000112.2A164G162-A164 PolarHBondContact O-N 2.99Å
163S92.4Very high91.1Very high55 Ų5560.8 Ų60.839%0.38537%0.369SS..  trans-83.2103.9177.8173.50000110.4S165 L166 A167S163-S165 VanDerWaalsContact C-N 3.29Å; S163-S165 PolarHBondContact O-N 3.46Å; S163-S165 PolarHBondContact OG-OG 2.65Å; S163-L166 PolarHBondContact O-N 3.14Å; S163-L166 VanDerWaalsContact OG-CB 3.28Å; S163-L166 WeakPolarHBondContact OG-CB 3.41Å; S163-L166 PolarHBondContact OG-N 3.44Å; S163-L166 VanDerWaalsContact OG-N 3.13Å; S163-A167 PolarHBondContact O-N 3.34Å
164A93.9Very high91.4Very high32 Ų3261.8 Ų61.826%0.26437%0.368SS..Hα-helixtrans-59.9-40.5174.700000111.7G162 L166 A167 I168G162-A164 PolarHBondContact O-N 2.99Å; A164-L166 PolarHBondContact O-N 3.27Å; A164-A167 PolarHBondContact O-N 2.7Å; A164-I168 WeakPolarHBondContact O-CB 3.39Å; A164-I168 WeakPolarHBondContact O-CD1 3.27Å; A164-I168 WeakPolarHBondContact O-CG1 3.41Å; A164-I168 PolarHBondContact O-N 3.47Å
165S96.2Very high91.8Very high9 Ų961.4 Ų61.46%0.06337%0.367CS..Hα-helixtrans-57.5-45.9175.348.10000112.3A57 Q61 S163 I168 G169A57-S165 WeakPolarHBondContact CA-O 3.37Å; A57-S165 WeakPolarHBondContact CB-O 3.43Å; A57-S165 WeakPolarHBondContact O-CB 3.46Å; Q61-S165 PolarHBondContact OE1-OG 3Å; S163-S165 VanDerWaalsContact C-N 3.29Å; S163-S165 PolarHBondContact O-N 3.46Å; S163-S165 PolarHBondContact OG-OG 2.65Å; S165-I168 PolarHBondContact O-N 2.99Å; S165-G169 PolarHBondContact O-N 3.23Å
166L97.2Very high92.3Very high72 Ų7256 Ų5638%0.37733%0.331SS..Hα-helixtrans-67.4-41.8178.3-171.863.9000112.1A57 S163 A164 I168 G169 F170A57-L166 HydrophobicContact CB-CD1 4.42Å; S163-L166 PolarHBondContact O-N 3.14Å; S163-L166 VanDerWaalsContact OG-CB 3.28Å; S163-L166 WeakPolarHBondContact OG-CB 3.41Å; S163-L166 PolarHBondContact OG-N 3.44Å; S163-L166 VanDerWaalsContact OG-N 3.13Å; A164-L166 PolarHBondContact O-N 3.27Å; L166-I168 VanDerWaalsContact C-N 3.33Å; L166-I168 PolarHBondContact O-N 2.86Å; L166-G169 PolarHBondContact O-N 2.98Å; L166-F170 HydrophobicContact CD1-CD2 4.28Å; L166-F170 HydrophobicContact CD1-CE2 3.76Å; L166-F170 HydrophobicContact CD1-CZ 3.96Å; L166-F170 HydrophobicContact CD2-CE2 3.8Å; L166-F170 HydrophobicContact CD2-CZ 4.46Å; L166-F170 HydrophobicContact CG-CD2 3.88Å; L166-F170 HydrophobicContact CG-CE2 3.48Å; L166-F170 VanDerWaalsContact CG-CE2 3.48Å; L166-F170 HydrophobicContact CG-CZ 4.18Å; L166-F170 WeakPolarHBondContact O-CD2 3.35Å; L166-F170 PolarHBondContact O-N 3.16Å
167A97.3Very high92.8Very high35 Ų3555.4 Ų55.429%0.28933%0.332SS..Hα-helixtrans-59.6-43.5175.300000111.9T148 T152 S163 A164 F170 A171T148-A167 HydrophobicContact CG2-CB 4.36Å; T152-A167 HydrophobicContact CG2-CB 3.91Å; S163-A167 PolarHBondContact O-N 3.34Å; A164-A167 PolarHBondContact O-N 2.7Å; A167-F170 PolarHBondContact O-N 2.95Å; A167-A171 PolarHBondContact O-N 2.94Å
168I98.1Very high93.4Very high8 Ų855.6 Ų55.64%0.04134%0.336CS..Hα-helixtrans-63.7-41.8176.1-66163.3000110.9I56 V60 L145 T148 I149 A164 S165 L166 A171 V172I56-I168 HydrophobicContact CG2-CG2 3.86Å; V60-I168 HydrophobicContact CG1-CD1 4.19Å; V60-I168 HydrophobicContact CG2-CG2 4.44Å; L145-I168 HydrophobicContact CD1-CG2 3.94Å; T148-I168 HydrophobicContact CG2-CG1 4.48Å; I149-I168 HydrophobicContact CD1-CG2 4.33Å; I149-I168 HydrophobicContact CG1-CD1 3.87Å; I149-I168 HydrophobicContact CG1-CG1 3.74Å; I149-I168 HydrophobicContact CG1-CG2 3.97Å; A164-I168 WeakPolarHBondContact O-CB 3.39Å; A164-I168 WeakPolarHBondContact O-CD1 3.27Å; A164-I168 WeakPolarHBondContact O-CG1 3.41Å; A164-I168 PolarHBondContact O-N 3.47Å; S165-I168 PolarHBondContact O-N 2.99Å; L166-I168 VanDerWaalsContact C-N 3.33Å; L166-I168 PolarHBondContact O-N 2.86Å; I168-A171 WeakPolarHBondContact O-CB 3.48Å; I168-A171 PolarHBondContact O-N 3.26Å; I168-V172 PolarHBondContact O-N 2.91Å; I168-V172 VanDerWaalsContact O-N 3.16Å
169G98.2Very high93.9Very high2 Ų249.3 Ų49.32%0.02130%0.297CS..Hα-helixtrans-65-39.117600000113.4G53 S165 L166 V172 A173G53-G169 CarbonylContact C-O 3.58Å; G53-G169 WeakPolarHBondContact CA-O 3.5Å; G53-G169 WeakPolarHBondContact O-CA 3.41Å; S165-G169 PolarHBondContact O-N 3.23Å; L166-G169 PolarHBondContact O-N 2.98Å; G169-V172 WeakPolarHBondContact O-CB 3.49Å; G169-V172 PolarHBondContact O-N 3.45Å; G169-A173 PolarHBondContact O-N 3.05Å
170F98.4Very high94.5Very high100 Ų10045.8 Ų45.844%0.43928%0.278SS..Hα-helixtrans-66.4-36.3174.2-74.9-45.8000112.7L166 A167 V172 A173 I174L166-F170 HydrophobicContact CD1-CD2 4.28Å; L166-F170 HydrophobicContact CD1-CE2 3.76Å; L166-F170 HydrophobicContact CD1-CZ 3.96Å; L166-F170 HydrophobicContact CD2-CE2 3.8Å; L166-F170 HydrophobicContact CD2-CZ 4.46Å; L166-F170 HydrophobicContact CG-CD2 3.88Å; L166-F170 HydrophobicContact CG-CE2 3.48Å; L166-F170 VanDerWaalsContact CG-CE2 3.48Å; L166-F170 HydrophobicContact CG-CZ 4.18Å; L166-F170 WeakPolarHBondContact O-CD2 3.35Å; L166-F170 PolarHBondContact O-N 3.16Å; A167-F170 PolarHBondContact O-N 2.95Å; F170-V172 VanDerWaalsContact C-N 3.3Å; F170-V172 PolarHBondContact O-N 3.32Å; F170-A173 PolarHBondContact O-N 2.91Å; F170-A173 VanDerWaalsContact O-N 3.15Å; F170-I174 VanDerWaalsContact O-CG1 3.26Å; F170-I174 WeakPolarHBondContact O-CG1 3.43Å; F170-I174 PolarHBondContact O-N 3.42Å
171A98.4Very high95.2Very high2 Ų244.1 Ų44.12%0.01727%0.274CS..Hα-helixtrans-57.5-44.7171.700000111.5E144 L145 T148 A167 I168 A173 I174 G175E144-A171 WeakPolarHBondContact OE1-CA 3.42Å; E144-A171 VanDerWaalsContact OE1-CB 3.24Å; E144-A171 WeakPolarHBondContact OE1-CB 3.27Å; L145-A171 HydrophobicContact CD1-CB 4.11Å; T148-A171 HydrophobicContact CG2-CB 4.11Å; A167-A171 PolarHBondContact O-N 2.94Å; I168-A171 WeakPolarHBondContact O-CB 3.48Å; I168-A171 PolarHBondContact O-N 3.26Å; A171-A173 PolarHBondContact O-N 3.44Å; A171-I174 PolarHBondContact O-N 3.34Å; A171-G175 PolarHBondContact O-N 3.13Å
172V98.5Very high96.2Very high7 Ų742.1 Ų42.14%0.04225%0.247CC..Hα-helixtrans-61-44.3173.61750000112F52 I56 L145 I168 G169 F170 G175 H176 M187F52-V172 HydrophobicContact CB-CG1 4.14Å; I56-V172 HydrophobicContact CB-CG2 4.21Å; I56-V172 HydrophobicContact CG1-CG1 4.28Å; I56-V172 HydrophobicContact CG1-CG2 4.13Å; I56-V172 HydrophobicContact CG2-CG2 4.02Å; L145-V172 HydrophobicContact CD1-CG2 3.6Å; L145-V172 HydrophobicContact CD2-CG2 4.08Å; L145-V172 HydrophobicContact CG-CG2 4.45Å; I168-V172 PolarHBondContact O-N 2.91Å; I168-V172 VanDerWaalsContact O-N 3.16Å; G169-V172 WeakPolarHBondContact O-CB 3.49Å; G169-V172 PolarHBondContact O-N 3.45Å; F170-V172 VanDerWaalsContact C-N 3.3Å; F170-V172 PolarHBondContact O-N 3.32Å; V172-G175 PolarHBondContact O-N 3.29Å; V172-H176 PolarHBondContact O-N 3.18Å; V172-H176 PolarHBondContact O-ND1 3.37Å; V172-M187 HydrophobicContact CG1-SD 4.44Å
173A98.3Very high96.8Very high6 Ų638.5 Ų38.55%0.0521%0.21CC..Hα-helixtrans-62-43.4177.600000112.1S49 G169 F170 A171 H176 L177S49-A173 WeakPolarHBondContact O-CA 3.48Å; S49-A173 WeakPolarHBondContact O-CB 3.41Å; G169-A173 PolarHBondContact O-N 3.05Å; F170-A173 PolarHBondContact O-N 2.91Å; F170-A173 VanDerWaalsContact O-N 3.15Å; A171-A173 PolarHBondContact O-N 3.44Å; A173-H176 PolarHBondContact O-N 3.05Å; A173-L177 WeakPolarHBondContact O-CG 3.44Å; A173-L177 PolarHBondContact O-N 2.71Å
174I98.1Very high96.9Very high96 Ų9636.9 Ų36.949%0.49220%0.202SC..Hα-helixtrans-60.9-46.8176.4-69.4163.9000110.3F170 A171 H176 L177 F178F170-I174 VanDerWaalsContact O-CG1 3.26Å; F170-I174 WeakPolarHBondContact O-CG1 3.43Å; F170-I174 PolarHBondContact O-N 3.42Å; A171-I174 PolarHBondContact O-N 3.34Å; I174-H176 VanDerWaalsContact C-N 3.28Å; I174-H176 PolarHBondContact O-N 3.06Å; I174-L177 PolarHBondContact O-N 2.93Å; I174-F178 PolarHBondContact O-N 3.36Å; I174-F178 VanDerWaalsContact O-N 3.16Å
175G97.9Very high96.9Very high3 Ų335.3 Ų35.33%0.03119%0.189CC..Hα-helixtrans-57.3-40.8175.600000112.6A171 V172 F178 A179A171-G175 PolarHBondContact O-N 3.13Å; V172-G175 PolarHBondContact O-N 3.29Å; G175-F178 PolarHBondContact O-N 3.26Å; G175-A179 VanDerWaalsContact O-CB 3.24Å; G175-A179 WeakPolarHBondContact O-CB 3.38Å; G175-A179 PolarHBondContact O-N 3.23Å
176H97.7Very high97Very high3 Ų335 Ų351%0.01419%0.187CC..Hα-helixtrans-69.7-44.9177.3-77.667.8000112.9S49 F52 V172 A173 I174 F178 A179 I180 A185S49-H176 WeakPolarHBondContact OG-CB 3.26Å; F52-H176 AromaticContact CD1-CD2 3.91Å; F52-H176 AromaticContact CD1-CE1 3.68Å; F52-H176 AromaticContact CD1-NE2 3.09Å; F52-H176 WeakPolarHBondContact CD1-NE2 3.25Å; F52-H176 AromaticContact CD2-CD2 3.87Å; F52-H176 AromaticContact CD2-NE2 3.9Å; F52-H176 AromaticContact CE1-NE2 3.66Å; F52-H176 AromaticContact CG-CD2 3.57Å; F52-H176 AromaticContact CG-CE1 3.88Å; F52-H176 AromaticContact CG-NE2 3.24Å; F52-H176 WeakPolarHBondContact CG-NE2 3.44Å; V172-H176 PolarHBondContact O-N 3.18Å; V172-H176 PolarHBondContact O-ND1 3.37Å; A173-H176 PolarHBondContact O-N 3.05Å; I174-H176 VanDerWaalsContact C-N 3.28Å; I174-H176 PolarHBondContact O-N 3.06Å; H176-F178 PolarHBondContact O-N 3.05Å; H176-F178 VanDerWaalsContact O-N 3.11Å; H176-A179 PolarHBondContact O-N 2.97Å; H176-I180 HydrophobicContact CB-CD1 3.94Å; H176-I180 HydrophobicContact CB-CG1 4.28Å; H176-I180 WeakPolarHBondContact O-CB 3.49Å; H176-I180 WeakPolarHBondContact O-CD1 3.24Å; H176-I180 WeakPolarHBondContact O-CG1 3.49Å; H176-I180 PolarHBondContact O-N 3.16Å; H176-I180 VanDerWaalsContact O-N 3.14Å; H176-A185 HydrophobicContact CB-CB 4.31Å; H176-A185 PolarHBondContact NE2-O 2.87Å
177L97.1Very high97Very high75 Ų7531.7 Ų31.739%0.39317%0.169SC..Hα-helixtrans-56.6-29.8177.1-75.6170.1000112.1M45 V46 S49 A173 I174M45-L177 HydrophobicContact CE-CD2 4.12Å; M45-L177 VanDerWaalsContact CE-O 3.28Å; M45-L177 WeakPolarHBondContact CE-O 3.13Å; V46-L177 HydrophobicContact CG2-CD2 4.19Å; S49-L177 PolarHBondContact OG-N 3.4Å; S49-L177 VanDerWaalsContact OG-N 3.15Å; A173-L177 WeakPolarHBondContact O-CG 3.44Å; A173-L177 PolarHBondContact O-N 2.71Å; I174-L177 PolarHBondContact O-N 2.93Å
178F96.9Very high97Very high97 Ų9730.3 Ų30.343%0.42516%0.157SC..Hα-helixtrans-89.5-49.8176.9173.4-108.8000113.4V137 I141 I174 G175 H176 P181 Y182V137-F178 HydrophobicContact CG1-CE1 4.1Å; I141-F178 HydrophobicContact CG2-CD1 3.76Å; I141-F178 HydrophobicContact CG2-CE1 4.3Å; I174-F178 PolarHBondContact O-N 3.36Å; I174-F178 VanDerWaalsContact O-N 3.16Å; G175-F178 PolarHBondContact O-N 3.26Å; H176-F178 PolarHBondContact O-N 3.05Å; H176-F178 VanDerWaalsContact O-N 3.11Å; F178-P181 WeakPolarHBondContact O-CD 3.21Å; F178-Y182 HydrophobicContact CD2-CE2 4.41Å; F178-Y182 HydrophobicContact CE2-CE2 4.01Å; F178-Y182 HydrophobicContact CZ-CE2 4.14Å; F178-Y182 VanDerWaalsContact O-CD2 3.28Å; F178-Y182 WeakPolarHBondContact O-CD2 3.49Å; F178-Y182 WeakPolarHBondContact O-CE2 3.28Å
179A96.7Very high97.1Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-94.4-10.6-162.900000115.6V137 I141 G175 H176 Y182 T183 A185V137-A179 HydrophobicContact CG1-CB 3.67Å; I141-A179 HydrophobicContact CD1-CB 3.49Å; I141-A179 VanDerWaalsContact CD1-CB 3.49Å; I141-A179 HydrophobicContact CG2-CB 3.95Å; G175-A179 VanDerWaalsContact O-CB 3.24Å; G175-A179 WeakPolarHBondContact O-CB 3.38Å; G175-A179 PolarHBondContact O-N 3.23Å; H176-A179 PolarHBondContact O-N 2.97Å; A179-Y182 PolarHBondContact O-N 2.93Å; A179-T183 PolarHBondContact O-N 3.1Å; A179-A185 HydrophobicContact CB-CB 3.86Å
180I95.2Very high97.1Very high40 Ų4030 Ų3021%0.20516%0.155CC..Hα-helixtrans-52.1-48.6177.6-77167.2000111.9M45 I48 H176 Y182 G184 A185M45-I180 HydrophobicContact CG-CB 4.28Å; M45-I180 HydrophobicContact CG-CD1 3.8Å; M45-I180 HydrophobicContact CG-CG2 4.33Å; M45-I180 HydrophobicContact SD-CB 4.46Å; I48-I180 HydrophobicContact CB-CD1 4.12Å; I48-I180 HydrophobicContact CG2-CD1 3.68Å; H176-I180 HydrophobicContact CB-CD1 3.94Å; H176-I180 HydrophobicContact CB-CG1 4.28Å; H176-I180 WeakPolarHBondContact O-CB 3.49Å; H176-I180 WeakPolarHBondContact O-CD1 3.24Å; H176-I180 WeakPolarHBondContact O-CG1 3.49Å; H176-I180 PolarHBondContact O-N 3.16Å; H176-I180 VanDerWaalsContact O-N 3.14Å; I180-Y182 PolarHBondContact O-N 3.34Å; I180-G184 WeakPolarHBondContact O-CA 3.09Å; I180-G184 PolarHBondContact O-N 2.82Å; I180-A185 HydrophobicContact CG1-CB 3.96Å
181P94.2Very high97.1Very high79 Ų7925.6 Ų25.651%0.51314%0.136SC..Hα-helixtrans-67-17.5-179.4-21.734.4000115.1M45 S126 F178M45-P181 HydrophobicContact SD-CG 4.19Å; S126-P181 WeakPolarHBondContact CB-O 3.39Å; F178-P181 WeakPolarHBondContact O-CD 3.21Å
182Y96.1Very high97.1Very high87 Ų8725.5 Ų25.534%0.34114%0.135SC..Hα-helixtrans-92.5-51.6-176.6-65.7-93.1000111.5S126 I129 V137 F178 A179 I180S126-Y182 VanDerWaalsContact CB-O 3.25Å; S126-Y182 WeakPolarHBondContact CB-O 3.17Å; S126-Y182 PolarHBondContact N-O 3.1Å; I129-Y182 HydrophobicContact CD1-CD1 4.14Å; I129-Y182 VanDerWaalsContact CD1-O 3.32Å; I129-Y182 WeakPolarHBondContact CD1-O 3.45Å; I129-Y182 HydrophobicContact CG2-CD1 4.28Å; V137-Y182 HydrophobicContact CG1-CG 4.39Å; V137-Y182 HydrophobicContact CG2-CD1 4Å; V137-Y182 HydrophobicContact CG2-CG 4.13Å; F178-Y182 HydrophobicContact CD2-CE2 4.41Å; F178-Y182 HydrophobicContact CE2-CE2 4.01Å; F178-Y182 HydrophobicContact CZ-CE2 4.14Å; F178-Y182 VanDerWaalsContact O-CD2 3.28Å; F178-Y182 WeakPolarHBondContact O-CD2 3.49Å; F178-Y182 WeakPolarHBondContact O-CE2 3.28Å; A179-Y182 PolarHBondContact O-N 2.93Å; I180-Y182 PolarHBondContact O-N 3.34Å
183T96.1Very high97.1Very high0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-138.6-1.7-167.463.20000114M124 I129 A134 E138 A179 A185 Y208M124-T183 PolarHBondContact N-O 3.01Å; M124-T183 CarbonylContact O-C 3.17Å; M124-T183 WeakPolarHBondContact O-CA 3.36Å; I129-T183 HydrophobicContact CD1-CG2 4.36Å; A134-T183 HydrophobicContact CB-CG2 3.71Å; E138-T183 HydrophobicContact CG-CG2 4.26Å; E138-T183 WeakPolarHBondContact OE1-CB 3.16Å; E138-T183 PolarHBondContact OE1-OG1 3.32Å; A179-T183 PolarHBondContact O-N 3.1Å; T183-A185 VanDerWaalsContact C-N 3.3Å; T183-A185 PolarHBondContact OG1-N 3.5Å; T183-Y208 PolarHBondContact O-OH 3.44Å
184G93.8Very high97.1Very high21 Ų2127 Ų2722%0.21614%0.14CC..  trans78.411.8-167.900000114.2I180I180-G184 WeakPolarHBondContact O-CA 3.09Å; I180-G184 PolarHBondContact O-N 2.82Å
185A95.6Very high97Very high0 Ų022.5 Ų22.50%012%0.117CC..  trans50.578.2179.600000113.5H176 A179 I180 T183H176-A185 HydrophobicContact CB-CB 4.31Å; H176-A185 PolarHBondContact NE2-O 2.87Å; A179-A185 HydrophobicContact CB-CB 3.86Å; I180-A185 HydrophobicContact CG1-CB 3.96Å; T183-A185 VanDerWaalsContact C-N 3.3Å; T183-A185 PolarHBondContact OG1-N 3.5Å
186S96.6Very high97Very high2 Ų222.3 Ų22.31%0.01412%0.115CC..  trans-69.1-65.1176.2171.30000111E138 N188 S192E138-S186 WeakPolarHBondContact OE1-CB 3.42Å; E138-S186 PolarHBondContact OE1-N 2.73Å; E138-S186 VanDerWaalsContact OE2-CB 3.31Å; E138-S186 WeakPolarHBondContact OE2-CB 3.33Å; E138-S186 PolarHBondContact OE2-N 2.87Å; S186-N188 PolarHBondContact O-N 2.84Å; S186-N188 PolarHBondContact OG-N 3.32Å; S186-N188 PolarHBondContact OG-O 2.69Å; S186-S192 WeakPolarHBondContact CB-OG 3.44Å; S186-S192 PolarHBondContact OG-OG 3.26Å
187M97.6Very high97Very high3 Ų325.8 Ų25.82%0.01513%0.132CC..  trans56-12.3-169.7-51.4176.479.700115.4N72 E138 I141 T142 L145 V172N72-M187 PolarHBondContact ND2-O 2.89Å; E138-M187 PolarHBondContact OE2-N 3.5Å; I141-M187 HydrophobicContact CB-CE 4.17Å; I141-M187 HydrophobicContact CB-CG 4.19Å; I141-M187 HydrophobicContact CD1-CG 3.41Å; I141-M187 VanDerWaalsContact CD1-CG 3.41Å; I141-M187 HydrophobicContact CD1-SD 4.42Å; I141-M187 HydrophobicContact CG1-CG 3.64Å; I141-M187 VanDerWaalsContact O-CE 3.23Å; I141-M187 WeakPolarHBondContact O-CE 3.31Å; T142-M187 WeakPolarHBondContact OG1-CA 3.39Å; L145-M187 HydrophobicContact CB-CE 3.71Å; L145-M187 HydrophobicContact CD2-CB 4.45Å; L145-M187 HydrophobicContact CD2-CE 4.02Å; L145-M187 HydrophobicContact CG-CE 4.39Å; V172-M187 HydrophobicContact CG1-SD 4.44Å
188N98.3Very high97Very high6 Ų624.2 Ų24.23%0.03213%0.125CC..  trans-150.9109.1-161.8179-18.8000109.6I71 N72 P73 S186 A190 R191 S192I71-N188 PolarHBondContact O-ND2 3.37Å; N72-N188 HydrophobicContact CB-CB 4.36Å; N72-N188 VanDerWaalsContact CG-CG 3.49Å; N72-N188 WeakPolarHBondContact OD1-CA 3.47Å; P73-N188 VanDerWaalsContact CD-OD1 3.25Å; P73-N188 WeakPolarHBondContact CD-OD1 2.79Å; S186-N188 PolarHBondContact O-N 2.84Å; S186-N188 PolarHBondContact OG-N 3.32Å; S186-N188 PolarHBondContact OG-O 2.69Å; N188-A190 VanDerWaalsContact C-N 3.29Å; N188-A190 PolarHBondContact O-N 3.48Å; N188-A190 WeakPolarHBondContact OD1-CB 3.42Å; N188-A190 PolarHBondContact OD1-N 2.84Å; N188-R191 HydrophobicContact CB-CB 3.76Å; N188-R191 WeakPolarHBondContact O-CB 3.36Å; N188-R191 PolarHBondContact O-N 3.45Å; N188-R191 PolarHBondContact OD1-N 3.03Å; N188-S192 PolarHBondContact O-N 2.86Å
189P98.7Very high97Very high0 Ų021.3 Ų21.30%012%0.116CC..Hα-helixtrans-58.6-36.5-179.3-24.932.6000114N72 P73 A74 S192 F193 Y208 W209 P212 I213N72-P189 WeakPolarHBondContact OD1-CD 3.41Å; P73-P189 HydrophobicContact CB-CB 4.11Å; P73-P189 HydrophobicContact CB-CG 4.05Å; P73-P189 HydrophobicContact CG-CB 4.15Å; P73-P189 HydrophobicContact CG-CG 4.49Å; A74-P189 HydrophobicContact CB-CG 4.43Å; P189-S192 PolarHBondContact O-N 3.46Å; P189-F193 WeakPolarHBondContact O-CB 3.36Å; P189-F193 PolarHBondContact O-N 3.18Å; P189-Y208 WeakPolarHBondContact CA-O 3.42Å; P189-Y208 WeakPolarHBondContact CG-O 3.09Å; P189-W209 HydrophobicContact CB-CD2 3.57Å; P189-W209 HydrophobicContact CB-CE3 3.54Å; P189-W209 HydrophobicContact CB-CG 4.12Å; P189-W209 HydrophobicContact CB-CH2 4.08Å; P189-W209 HydrophobicContact CB-CZ2 4.09Å; P189-W209 HydrophobicContact CB-CZ3 3.8Å; P189-W209 HydrophobicContact CG-CD2 4.44Å; P189-W209 HydrophobicContact CG-CE3 4.19Å; P189-P212 HydrophobicContact CG-CB 4.27Å; P189-I213 HydrophobicContact CG-CG1 4.41Å
190A98.5Very high96.9Very high2 Ų228 Ų282%0.01715%0.151CC..Hα-helixtrans-68-39.7178.600000111.9P73 Q97 A101 N188 S192 F193 G194P73-A190 HydrophobicContact CG-CB 3.73Å; Q97-A190 HydrophobicContact CB-CB 4.03Å; A101-A190 HydrophobicContact CB-CB 4.13Å; A101-A190 WeakPolarHBondContact CB-O 3.28Å; N188-A190 VanDerWaalsContact C-N 3.29Å; N188-A190 PolarHBondContact O-N 3.48Å; N188-A190 WeakPolarHBondContact OD1-CB 3.42Å; N188-A190 PolarHBondContact OD1-N 2.84Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 3.38Å; A190-F193 PolarHBondContact O-N 3.33Å; A190-G194 PolarHBondContact O-N 3.17Å
191R98.2Very high96.9Very high8 Ų830 Ų303%0.0316%0.158CC..Hα-helixtrans-61.1-35175.5176-95.8-172.5-89.35.7113F26 F52 G121 N188 P195F26-R191 HydrophobicContact CE1-CB 3.96Å; F26-R191 HydrophobicContact CE1-CG 4.1Å; F26-R191 HydrophobicContact CZ-CB 4.45Å; F26-R191 HydrophobicContact CZ-CG 4.17Å; F52-R191 HydrophobicContact CE1-CG 4Å; F52-R191 VanDerWaalsContact CE1-NE 3.34Å; F52-R191 VanDerWaalsContact CZ-CZ 3.47Å; G121-R191 PolarHBondContact O-NH1 3.35Å; N188-R191 HydrophobicContact CB-CB 3.76Å; N188-R191 WeakPolarHBondContact O-CB 3.36Å; N188-R191 PolarHBondContact O-N 3.45Å; N188-R191 PolarHBondContact OD1-N 3.03Å; R191-P195 WeakPolarHBondContact O-CD 3.43Å; R191-P195 WeakPolarHBondContact O-CG 3.49Å
192S98.4Very high97Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-77.7-41.1174-71.70000111.4T123 S186 N188 P189 A190 A196T123-S192 WeakPolarHBondContact CG2-OG 3.34Å; T123-S192 VanDerWaalsContact OG1-CB 3.31Å; T123-S192 WeakPolarHBondContact OG1-CB 3.25Å; T123-S192 PolarHBondContact OG1-OG 2.8Å; S186-S192 WeakPolarHBondContact CB-OG 3.44Å; S186-S192 PolarHBondContact OG-OG 3.26Å; N188-S192 PolarHBondContact O-N 2.86Å; P189-S192 PolarHBondContact O-N 3.46Å; A190-S192 VanDerWaalsContact C-N 3.28Å; A190-S192 PolarHBondContact O-N 3.38Å; S192-A196 VanDerWaalsContact O-CB 3.22Å; S192-A196 WeakPolarHBondContact O-CB 3.25Å; S192-A196 PolarHBondContact O-N 2.98Å
193F98.6Very high96.9Very high46 Ų4633.4 Ų33.420%0.20217%0.169CC..Hα-helixtrans-67.2-41.3-176.9-179.8-110000113.7C98 I102 P189 A190 A196 M197 F202 H205 W209C98-F193 HydrophobicContact CB-CD1 3.88Å; C98-F193 HydrophobicContact CB-CE1 3.98Å; I102-F193 HydrophobicContact CD1-CD1 4.26Å; I102-F193 HydrophobicContact CD1-CE1 3.6Å; I102-F193 HydrophobicContact CD1-CZ 4.36Å; I102-F193 HydrophobicContact CG1-CD1 4.32Å; I102-F193 HydrophobicContact CG1-CE1 4.13Å; P189-F193 WeakPolarHBondContact O-CB 3.36Å; P189-F193 PolarHBondContact O-N 3.18Å; A190-F193 PolarHBondContact O-N 3.33Å; F193-A196 PolarHBondContact O-N 2.81Å; F193-M197 HydrophobicContact CD1-CG 4.06Å; F193-M197 HydrophobicContact CD2-CG 3.82Å; F193-M197 HydrophobicContact CD2-SD 4.4Å; F193-M197 HydrophobicContact CE1-CG 3.67Å; F193-M197 HydrophobicContact CE1-SD 4.41Å; F193-M197 HydrophobicContact CE2-CG 3.37Å; F193-M197 HydrophobicContact CE2-SD 3.48Å; F193-M197 WeakPolarHBondContact CE2-SD 3.15Å; F193-M197 HydrophobicContact CG-CG 4.15Å; F193-M197 HydrophobicContact CZ-CE 4.39Å; F193-M197 HydrophobicContact CZ-CG 3.29Å; F193-M197 HydrophobicContact CZ-SD 3.49Å; F193-M197 WeakPolarHBondContact CZ-SD 3.41Å; F193-M197 WeakPolarHBondContact O-CB 3.31Å; F193-M197 WeakPolarHBondContact O-CG 3.42Å; F193-M197 PolarHBondContact O-N 3.2Å; F193-F202 HydrophobicContact CD2-CE1 4.14Å; F193-F202 HydrophobicContact CE2-CE1 4.25Å; F193-H205 AromaticContact CD2-NE2 3.89Å; F193-W209 HydrophobicContact CB-CZ2 4.06Å; F193-W209 HydrophobicContact CD2-CZ2 4.24Å; F193-W209 HydrophobicContact CG-CZ2 4.15Å
194G98.2Very high96.9Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-52.4-63.7-178.500000114.2A190 A196 M197 V198A190-G194 PolarHBondContact O-N 3.17Å; G194-A196 VanDerWaalsContact C-N 3.31Å; G194-A196 PolarHBondContact O-N 3.27Å; G194-M197 PolarHBondContact O-N 3.26Å; G194-V198 WeakPolarHBondContact O-CG2 3.32Å; G194-V198 PolarHBondContact O-N 3.43Å
195P97.6Very high97.1Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-68.2-29.6179.228.4-35000112.8L31 A105 L120 V122 R191 V198 T199L31-P195 HydrophobicContact CD1-CB 3.77Å; L31-P195 HydrophobicContact CD1-CG 3.83Å; L31-P195 HydrophobicContact CD2-CG 4.29Å; A105-P195 HydrophobicContact CB-CB 4.23Å; L120-P195 HydrophobicContact CD2-CB 4.3Å; V122-P195 HydrophobicContact CG2-CB 3.78Å; V122-P195 HydrophobicContact CG2-CG 4.28Å; R191-P195 WeakPolarHBondContact O-CD 3.43Å; R191-P195 WeakPolarHBondContact O-CG 3.49Å; P195-V198 PolarHBondContact O-N 3.22Å; P195-T199 WeakPolarHBondContact O-CB 3.31Å; P195-T199 WeakPolarHBondContact O-CG2 3.41Å; P195-T199 PolarHBondContact O-N 2.94Å; P195-T199 PolarHBondContact O-OG1 2.98Å
196A97.7Very high97.2Very high0 Ų041.8 Ų41.80%020%0.199CC..Hα-helixtrans-61.9-42.3174.200000112S192 F193 G194 L200 K201 F202S192-A196 VanDerWaalsContact O-CB 3.22Å; S192-A196 WeakPolarHBondContact O-CB 3.25Å; S192-A196 PolarHBondContact O-N 2.98Å; F193-A196 PolarHBondContact O-N 2.81Å; G194-A196 VanDerWaalsContact C-N 3.31Å; G194-A196 PolarHBondContact O-N 3.27Å; A196-L200 CarbonylContact O-C 3.53Å; A196-L200 WeakPolarHBondContact O-CA 3.22Å; A196-L200 PolarHBondContact O-N 3.24Å; A196-K201 WeakPolarHBondContact CB-O 3.45Å; A196-K201 PolarHBondContact O-N 3.17Å; A196-F202 HydrophobicContact CB-CD1 4.06Å; A196-F202 HydrophobicContact CB-CE1 3.69Å; A196-F202 HydrophobicContact CB-CZ 3.94Å; A196-F202 WeakPolarHBondContact O-CE2 3.47Å
197M97.8Very high97.3Very high76 Ų7641.7 Ų41.737%0.37420%0.198SC..Hα-helixtrans-66.1-40.8175.1-76.7-66.9-58.600112.6I102 F193 G194 F202I102-M197 HydrophobicContact CD1-CB 4.39Å; I102-M197 HydrophobicContact CD1-CG 4.19Å; I102-M197 HydrophobicContact CG1-CB 4.01Å; I102-M197 HydrophobicContact CG1-CG 4.19Å; F193-M197 HydrophobicContact CD1-CG 4.06Å; F193-M197 HydrophobicContact CD2-CG 3.82Å; F193-M197 HydrophobicContact CD2-SD 4.4Å; F193-M197 HydrophobicContact CE1-CG 3.67Å; F193-M197 HydrophobicContact CE1-SD 4.41Å; F193-M197 HydrophobicContact CE2-CG 3.37Å; F193-M197 HydrophobicContact CE2-SD 3.48Å; F193-M197 WeakPolarHBondContact CE2-SD 3.15Å; F193-M197 HydrophobicContact CG-CG 4.15Å; F193-M197 HydrophobicContact CZ-CE 4.39Å; F193-M197 HydrophobicContact CZ-CG 3.29Å; F193-M197 HydrophobicContact CZ-SD 3.49Å; F193-M197 WeakPolarHBondContact CZ-SD 3.41Å; F193-M197 WeakPolarHBondContact O-CB 3.31Å; F193-M197 WeakPolarHBondContact O-CG 3.42Å; F193-M197 PolarHBondContact O-N 3.2Å; G194-M197 PolarHBondContact O-N 3.26Å; M197-F202 HydrophobicContact CB-CZ 4.37Å; M197-F202 HydrophobicContact CG-CE1 4.44Å; M197-F202 HydrophobicContact CG-CZ 3.83Å; M197-F202 HydrophobicContact SD-CE1 4.23Å; M197-F202 HydrophobicContact SD-CE2 4.29Å; M197-F202 HydrophobicContact SD-CZ 3.45Å; M197-F202 WeakPolarHBondContact SD-CZ 3.35Å
198V97.1Very high97.3Very high41 Ų4141.6 Ų41.625%0.24820%0.198CC..Hα-helixtrans-69.7-36.5-179.6173.80000111.7I102 A105 Y109 L120 G194 P195I102-V198 HydrophobicContact CG2-CG2 4.42Å; A105-V198 HydrophobicContact CB-CG2 3.89Å; Y109-V198 HydrophobicContact CD2-CG1 3.73Å; Y109-V198 HydrophobicContact CG-CG1 3.92Å; L120-V198 HydrophobicContact CD2-CB 4.24Å; L120-V198 HydrophobicContact CD2-CG1 3.87Å; G194-V198 WeakPolarHBondContact O-CG2 3.32Å; G194-V198 PolarHBondContact O-N 3.43Å; P195-V198 PolarHBondContact O-N 3.22Å
199T95.2Very high97.3Very high37 Ų3744.8 Ų44.823%0.22721%0.209CC..Hα-helixtrans-99.7-4-17762.70000114.1L120 V122 P195 K201L120-T199 HydrophobicContact CB-CG2 3.89Å; L120-T199 HydrophobicContact CD2-CG2 3.95Å; V122-T199 HydrophobicContact CG2-CG2 4.45Å; V122-T199 WeakPolarHBondContact CG2-OG1 3.32Å; P195-T199 WeakPolarHBondContact O-CB 3.31Å; P195-T199 WeakPolarHBondContact O-CG2 3.41Å; P195-T199 PolarHBondContact O-N 2.94Å; P195-T199 PolarHBondContact O-OG1 2.98Å; T199-K201 VanDerWaalsContact C-N 3.28Å; T199-K201 PolarHBondContact O-N 2.62Å
200L96.2Very high97.3Very high141 Ų14148.4 Ų48.474%0.73823%0.228SC*.THydrogen-bonded Turntrans55.835.7-174.4-57.3176.2000114.2A196A196-L200 CarbonylContact O-C 3.53Å; A196-L200 WeakPolarHBondContact O-CA 3.22Å; A196-L200 PolarHBondContact O-N 3.24Å
201K94.6Very high97.3Very high81 Ų8148.3 Ų48.335%0.35223%0.228SC..  trans-109.5104.9179.5-67.5-169.1176.2-163.40111.7H119 V122 A196 T199H119-K201 PolarHBondContact CE1-NZ 2.96Å; H119-K201 PolarHBondContact ND1-NZ 3.5Å; V122-K201 HydrophobicContact CG1-CB 4.27Å; A196-K201 WeakPolarHBondContact CB-O 3.45Å; A196-K201 PolarHBondContact O-N 3.17Å; T199-K201 VanDerWaalsContact C-N 3.28Å; T199-K201 PolarHBondContact O-N 2.62Å
202F96.1Very high97.3Very high84 Ų8448 Ų4837%0.36823%0.226SC..  trans-119.322.1-174.9-70.9-82.4000114.4F193 A196 M197 N204 H205F193-F202 HydrophobicContact CD2-CE1 4.14Å; F193-F202 HydrophobicContact CE2-CE1 4.25Å; A196-F202 HydrophobicContact CB-CD1 4.06Å; A196-F202 HydrophobicContact CB-CE1 3.69Å; A196-F202 HydrophobicContact CB-CZ 3.94Å; A196-F202 WeakPolarHBondContact O-CE2 3.47Å; M197-F202 HydrophobicContact CB-CZ 4.37Å; M197-F202 HydrophobicContact CG-CE1 4.44Å; M197-F202 HydrophobicContact CG-CZ 3.83Å; M197-F202 HydrophobicContact SD-CE1 4.23Å; M197-F202 HydrophobicContact SD-CE2 4.29Å; M197-F202 HydrophobicContact SD-CZ 3.45Å; M197-F202 WeakPolarHBondContact SD-CZ 3.35Å; F202-N204 PolarHBondContact O-N 3.45Å; F202-H205 HydrophobicContact CB-CB 4.27Å; F202-H205 HydrophobicContact CD1-CB 4.16Å; F202-H205 AromaticContact CD1-CD2 3.96Å; F202-H205 AromaticContact CD1-CG 3.81Å; F202-H205 VanDerWaalsContact O-CB 3.31Å; F202-H205 WeakPolarHBondContact O-CB 3.21Å; F202-H205 PolarHBondContact O-N 3.15Å
203E94.9Very high97.3Very high153 Ų15350.2 Ų50.272%0.71524%0.238SC*.THydrogen-bonded Turntrans-60.3126.7-179.8-170.1174.5176.200111.2H205E203-H205 PolarHBondContact O-N 3.26Å
204N96.1Very high97.3Very high48 Ų4851.5 Ų51.526%0.25725%0.246SC..THydrogen-bonded Turntrans51.424-178.5-59.5-48.9000115V125 L131 F202 W206 V207V125-N204 HydrophobicContact CG2-CB 4.09Å; L131-N204 HydrophobicContact CD2-CB 3.98Å; L131-N204 VanDerWaalsContact CD2-CG 3.43Å; L131-N204 WeakPolarHBondContact CD2-OD1 3.41Å; F202-N204 PolarHBondContact O-N 3.45Å; N204-W206 PolarHBondContact O-N 3.34Å; N204-V207 HydrophobicContact CB-CG2 4.49Å; N204-V207 WeakPolarHBondContact O-CB 3.22Å; N204-V207 WeakPolarHBondContact O-CG2 3.19Å; N204-V207 PolarHBondContact O-N 2.94Å
205H97.1Very high97.3Very high23 Ų2351.5 Ų51.511%0.10625%0.246CC..THydrogen-bonded Turntrans-61.3-27.3-168.4-165.778.5000114.2F193 F202 E203 V207 Y208 W209F193-H205 AromaticContact CD2-NE2 3.89Å; F202-H205 HydrophobicContact CB-CB 4.27Å; F202-H205 HydrophobicContact CD1-CB 4.16Å; F202-H205 AromaticContact CD1-CD2 3.96Å; F202-H205 AromaticContact CD1-CG 3.81Å; F202-H205 VanDerWaalsContact O-CB 3.31Å; F202-H205 WeakPolarHBondContact O-CB 3.21Å; F202-H205 PolarHBondContact O-N 3.15Å; E203-H205 PolarHBondContact O-N 3.26Å; H205-V207 PolarHBondContact O-N 2.83Å; H205-Y208 WeakPolarHBondContact O-CB 3.19Å; H205-Y208 PolarHBondContact O-N 3.03Å; H205-W209 AromaticContact CD2-CD1 3.51Å; H205-W209 AromaticContact CD2-NE1 3.24Å; H205-W209 PolarHBondContact CD2-NE1 3.39Å; H205-W209 AromaticContact NE2-CD1 3.68Å; H205-W209 AromaticContact NE2-NE1 3.01Å; H205-W209 PolarHBondContact NE2-NE1 3.43Å
206W97.9Very high97.3Very high126 Ų12651.5 Ų51.548%0.47725%0.246SC..THydrogen-bonded Turntrans-57.6-29177.368.4-90.7000113L131 L135 N204 Y208 W209 L210L131-W206 HydrophobicContact CB-CZ2 4.31Å; L131-W206 HydrophobicContact CD1-CZ2 4.24Å; L135-W206 HydrophobicContact CD1-CE3 4.38Å; L135-W206 HydrophobicContact CD1-CH2 4.08Å; L135-W206 HydrophobicContact CD1-CZ3 3.5Å; L135-W206 VanDerWaalsContact CD1-CZ3 3.5Å; N204-W206 PolarHBondContact O-N 3.34Å; W206-Y208 VanDerWaalsContact C-N 3.25Å; W206-Y208 PolarHBondContact O-N 3Å; W206-W209 PolarHBondContact O-N 2.85Å; W206-W209 VanDerWaalsContact O-N 3.16Å; W206-L210 HydrophobicContact CE3-CB 4.3Å; W206-L210 HydrophobicContact CE3-CD2 4.14Å; W206-L210 HydrophobicContact CZ3-CD2 3.92Å; W206-L210 WeakPolarHBondContact O-CB 3.44Å; W206-L210 PolarHBondContact O-N 3.02Å
207V98Very high97.3Very high0 Ų054.1 Ų54.10%026%0.26CS..Hα-helixtrans-60.1-39.4176.8177.20000110.5A134 L135 E138 N204 H205 W209 G211 P212A134-V207 HydrophobicContact CB-CG1 4.15Å; L135-V207 HydrophobicContact CB-CG1 4.26Å; E138-V207 HydrophobicContact CG-CG1 4.32Å; N204-V207 HydrophobicContact CB-CG2 4.49Å; N204-V207 WeakPolarHBondContact O-CB 3.22Å; N204-V207 WeakPolarHBondContact O-CG2 3.19Å; N204-V207 PolarHBondContact O-N 2.94Å; H205-V207 PolarHBondContact O-N 2.83Å; V207-W209 PolarHBondContact O-N 3.47Å; V207-G211 PolarHBondContact O-N 3.33Å; V207-P212 WeakPolarHBondContact O-CD 3.32Å
208Y98.2Very high97.3Very high1 Ų154.2 Ų54.20%0.00426%0.261CS..Hα-helixtrans-77.2-7.7-178.7-55.6-54.8000114.4T123 M124 V125 E138 T183 P189 H205 W206 P212T123-Y208 VanDerWaalsContact CB-CZ 3.45Å; T123-Y208 HydrophobicContact CG2-CE1 4.48Å; T123-Y208 WeakPolarHBondContact O-CE2 3.35Å; T123-Y208 PolarHBondContact O-OH 3.06Å; T123-Y208 WeakPolarHBondContact OG1-CD2 3.45Å; T123-Y208 WeakPolarHBondContact OG1-CE2 3.44Å; M124-Y208 VanDerWaalsContact CA-OH 3.25Å; M124-Y208 WeakPolarHBondContact CA-OH 3.32Å; M124-Y208 PolarHBondContact N-OH 3.33Å; V125-Y208 PolarHBondContact N-OH 2.93Å; V125-Y208 VanDerWaalsContact N-OH 3.12Å; E138-Y208 HydrophobicContact CG-CD1 4.23Å; E138-Y208 HydrophobicContact CG-CE1 4.43Å; T183-Y208 PolarHBondContact O-OH 3.44Å; P189-Y208 WeakPolarHBondContact CA-O 3.42Å; P189-Y208 WeakPolarHBondContact CG-O 3.09Å; H205-Y208 WeakPolarHBondContact O-CB 3.19Å; H205-Y208 PolarHBondContact O-N 3.03Å; W206-Y208 VanDerWaalsContact C-N 3.25Å; W206-Y208 PolarHBondContact O-N 3Å; Y208-P212 WeakPolarHBondContact O-CD 3.23Å; Y208-P212 WeakPolarHBondContact O-CG 3.24Å
209W98.5Very high97.3Very high73 Ų7352.2 Ų52.228%0.27725%0.249SC..Hα-helixtrans-98.4-54.8168.7-73.381.9000110.5P73 P189 F193 H205 W206 V207 I213P73-W209 HydrophobicContact CB-CZ3 4.48Å; P189-W209 HydrophobicContact CB-CD2 3.57Å; P189-W209 HydrophobicContact CB-CE3 3.54Å; P189-W209 HydrophobicContact CB-CG 4.12Å; P189-W209 HydrophobicContact CB-CH2 4.08Å; P189-W209 HydrophobicContact CB-CZ2 4.09Å; P189-W209 HydrophobicContact CB-CZ3 3.8Å; P189-W209 HydrophobicContact CG-CD2 4.44Å; P189-W209 HydrophobicContact CG-CE3 4.19Å; F193-W209 HydrophobicContact CB-CZ2 4.06Å; F193-W209 HydrophobicContact CD2-CZ2 4.24Å; F193-W209 HydrophobicContact CG-CZ2 4.15Å; H205-W209 AromaticContact CD2-CD1 3.51Å; H205-W209 AromaticContact CD2-NE1 3.24Å; H205-W209 PolarHBondContact CD2-NE1 3.39Å; H205-W209 AromaticContact NE2-CD1 3.68Å; H205-W209 AromaticContact NE2-NE1 3.01Å; H205-W209 PolarHBondContact NE2-NE1 3.43Å; W206-W209 PolarHBondContact O-N 2.85Å; W206-W209 VanDerWaalsContact O-N 3.16Å; V207-W209 PolarHBondContact O-N 3.47Å; W209-I213 HydrophobicContact CE3-CD1 4.28Å; W209-I213 WeakPolarHBondContact O-CB 3.11Å; W209-I213 WeakPolarHBondContact O-CD1 3.23Å; W209-I213 WeakPolarHBondContact O-CG1 3.26Å; W209-I213 PolarHBondContact O-N 3.41Å; W209-I213 VanDerWaalsContact O-N 3.17Å
210L98.4Very high97.3Very high77 Ų7750.5 Ų50.540%0.40324%0.239SC..Hα-helixtrans-68.5-47.7-172.5-172.662.2000112.2L135 W206 I213 L214L135-L210 HydrophobicContact CD1-CB 4.22Å; L135-L210 HydrophobicContact CD1-CD2 3.86Å; L135-L210 HydrophobicContact CD1-CG 4.1Å; W206-L210 HydrophobicContact CE3-CB 4.3Å; W206-L210 HydrophobicContact CE3-CD2 4.14Å; W206-L210 HydrophobicContact CZ3-CD2 3.92Å; W206-L210 WeakPolarHBondContact O-CB 3.44Å; W206-L210 PolarHBondContact O-N 3.02Å; L210-I213 PolarHBondContact O-N 3.24Å; L210-L214 HydrophobicContact CD1-CD1 3.79Å; L210-L214 HydrophobicContact CD1-CD2 4.44Å; L210-L214 HydrophobicContact CD1-CG 3.9Å; L210-L214 HydrophobicContact CD2-CD1 4.44Å; L210-L214 HydrophobicContact CG-CD1 3.76Å; L210-L214 HydrophobicContact CG-CG 4.24Å; L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 VanDerWaalsContact O-CG 3.25Å; L210-L214 WeakPolarHBondContact O-CG 3.22Å; L210-L214 PolarHBondContact O-N 2.98Å
211G98.3Very high97.2Very high0 Ų045.2 Ų45.20%022%0.216CC..Hα-helixtrans-56.6-57.5-179.800000111.9L139 V207 I213 L214 G215L139-G211 WeakPolarHBondContact CA-O 3.31Å; V207-G211 PolarHBondContact O-N 3.33Å; G211-I213 PolarHBondContact O-N 3.47Å; G211-L214 PolarHBondContact O-N 3.02Å; G211-G215 PolarHBondContact O-N 3.49Å
212P98.6Very high97.2Very high0 Ų043.9 Ų43.90%021%0.212CC..Hα-helixtrans-60.7-43.2-180-30.140.3000114.3A74 E138 T142 P189 V207 Y208 G215 G216A74-P212 HydrophobicContact CB-CB 3.8Å; E138-P212 HydrophobicContact CB-CG 4.34Å; T142-P212 HydrophobicContact CG2-CB 3.9Å; T142-P212 WeakPolarHBondContact CG2-O 3.24Å; T142-P212 VanDerWaalsContact OG1-CA 3.32Å; T142-P212 WeakPolarHBondContact OG1-CA 3.5Å; T142-P212 WeakPolarHBondContact OG1-CB 3.04Å; P189-P212 HydrophobicContact CG-CB 4.27Å; V207-P212 WeakPolarHBondContact O-CD 3.32Å; Y208-P212 WeakPolarHBondContact O-CD 3.23Å; Y208-P212 WeakPolarHBondContact O-CG 3.24Å; P212-G215 PolarHBondContact O-N 2.91Å; P212-G216 PolarHBondContact O-N 3.06Å
213I98.5Very high97.1Very high47 Ų4741 Ų4124%0.24120%0.199CC..Hα-helixtrans-64.1-44.4179.8-69.4170.1000110.9A74 A77 P189 W209 L210 G211 G216 I217A74-I213 HydrophobicContact CB-CG1 4.33Å; A77-I213 HydrophobicContact CB-CG2 4.35Å; P189-I213 HydrophobicContact CG-CG1 4.41Å; W209-I213 HydrophobicContact CE3-CD1 4.28Å; W209-I213 WeakPolarHBondContact O-CB 3.11Å; W209-I213 WeakPolarHBondContact O-CD1 3.23Å; W209-I213 WeakPolarHBondContact O-CG1 3.26Å; W209-I213 PolarHBondContact O-N 3.41Å; W209-I213 VanDerWaalsContact O-N 3.17Å; L210-I213 PolarHBondContact O-N 3.24Å; G211-I213 PolarHBondContact O-N 3.47Å; I213-G216 PolarHBondContact O-N 3.12Å; I213-I217 HydrophobicContact CG2-CD1 3.7Å; I213-I217 HydrophobicContact CG2-CG1 4.43Å; I213-I217 WeakPolarHBondContact O-CB 3.37Å; I213-I217 VanDerWaalsContact O-CG1 3.3Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 2.86Å
214L98.4Very high96.8Very high74 Ų7434.7 Ų34.739%0.38717%0.17SC..Hα-helixtrans-63.5-44.3177.1-71.2179000111.7L139 L210 G211 G216 I217 L218L139-L214 HydrophobicContact CD1-CB 4.13Å; L210-L214 HydrophobicContact CD1-CD1 3.79Å; L210-L214 HydrophobicContact CD1-CD2 4.44Å; L210-L214 HydrophobicContact CD1-CG 3.9Å; L210-L214 HydrophobicContact CD2-CD1 4.44Å; L210-L214 HydrophobicContact CG-CD1 3.76Å; L210-L214 HydrophobicContact CG-CG 4.24Å; L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 VanDerWaalsContact O-CG 3.25Å; L210-L214 WeakPolarHBondContact O-CG 3.22Å; L210-L214 PolarHBondContact O-N 2.98Å; G211-L214 PolarHBondContact O-N 3.02Å; L214-G216 PolarHBondContact O-N 3.36Å; L214-I217 PolarHBondContact O-N 2.97Å; L214-L218 VanDerWaalsContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CB 3.44Å; L214-L218 PolarHBondContact O-N 3.02Å
215G98.4Very high96.4Very high0 Ų038.5 Ų38.50%018%0.181CC..Hα-helixtrans-59.2-46176.700000112.3L139 F143 G211 P212 L218 A219L139-G215 WeakPolarHBondContact O-CA 3.5Å; F143-G215 WeakPolarHBondContact CA-O 3.4Å; G211-G215 PolarHBondContact O-N 3.49Å; P212-G215 PolarHBondContact O-N 2.91Å; G215-L218 PolarHBondContact O-N 3.08Å; G215-A219 WeakPolarHBondContact O-CB 3.44Å; G215-A219 PolarHBondContact O-N 3.03Å
216G98Very high96Very high0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-64.9-44.7178.400000113.7V146 P212 I213 L214 L218 A219 A220V146-G216 WeakPolarHBondContact CG1-O 3.25Å; P212-G216 PolarHBondContact O-N 3.06Å; I213-G216 PolarHBondContact O-N 3.12Å; L214-G216 PolarHBondContact O-N 3.36Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 3.39Å; G216-A219 PolarHBondContact O-N 3.14Å; G216-A220 WeakPolarHBondContact O-CB 3.43Å; G216-A220 PolarHBondContact O-N 3.34Å
217I97.4Very high95.6Very high55 Ų5544 Ų4428%0.28221%0.21SC..Hα-helixtrans-63-42.9176.5-69.5170.3000110.7V81 I213 L214 A220 A221V81-I217 HydrophobicContact CG1-CG2 4.26Å; V81-I217 HydrophobicContact CG2-CD1 4.14Å; V81-I217 HydrophobicContact CG2-CG1 4.14Å; I213-I217 HydrophobicContact CG2-CD1 3.7Å; I213-I217 HydrophobicContact CG2-CG1 4.43Å; I213-I217 WeakPolarHBondContact O-CB 3.37Å; I213-I217 VanDerWaalsContact O-CG1 3.3Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 2.86Å; L214-I217 PolarHBondContact O-N 2.97Å; I217-A220 PolarHBondContact O-N 3.24Å; I217-A221 VanDerWaalsContact O-CB 3.32Å; I217-A221 WeakPolarHBondContact O-CB 3.48Å; I217-A221 PolarHBondContact O-N 3.22Å
218L97.8Very high95Very high77 Ų7745.6 Ų45.640%0.40322%0.221SC..Hα-helixtrans-62.8-45.3178.3-176.764.7000111.5L139 F143 L214 G215 G216 A221 L222L139-L218 HydrophobicContact CD2-CD2 4.35Å; F143-L218 HydrophobicContact CD2-CB 4.2Å; F143-L218 HydrophobicContact CD2-CD2 4.14Å; F143-L218 HydrophobicContact CD2-CG 4.04Å; F143-L218 HydrophobicContact CE2-CD2 4.39Å; F143-L218 HydrophobicContact CE2-CG 4.08Å; L214-L218 VanDerWaalsContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CB 3.44Å; L214-L218 PolarHBondContact O-N 3.02Å; G215-L218 PolarHBondContact O-N 3.08Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 3.39Å; L218-A221 PolarHBondContact O-N 3.03Å; L218-L222 HydrophobicContact CD1-CD1 3.56Å; L218-L222 HydrophobicContact CG-CD1 4.03Å; L218-L222 VanDerWaalsContact O-CD1 3.31Å; L218-L222 WeakPolarHBondContact O-CD1 3.17Å; L218-L222 PolarHBondContact O-N 2.63Å
219A97.4Very high94.2Very high0 Ų047.2 Ų47.20%023%0.232CC..Hα-helixtrans-59.9-47.917700000112.3F143 V146 F147 G215 G216 A221 L222 Y223F143-A219 HydrophobicContact CB-CB 4.43Å; F143-A219 VanDerWaalsContact CD2-CA 3.49Å; F143-A219 HydrophobicContact CD2-CB 3.55Å; F143-A219 VanDerWaalsContact CE2-CA 3.41Å; F143-A219 HydrophobicContact CE2-CB 3.88Å; F143-A219 HydrophobicContact CG-CB 4.03Å; F143-A219 VanDerWaalsContact O-CB 3.27Å; F143-A219 WeakPolarHBondContact O-CB 3.24Å; V146-A219 HydrophobicContact CB-CB 3.89Å; V146-A219 HydrophobicContact CG1-CB 3.96Å; F147-A219 HydrophobicContact CB-CB 4.07Å; G215-A219 WeakPolarHBondContact O-CB 3.44Å; G215-A219 PolarHBondContact O-N 3.03Å; G216-A219 PolarHBondContact O-N 3.14Å; A219-A221 VanDerWaalsContact C-N 3.34Å; A219-A221 PolarHBondContact O-N 3.16Å; A219-L222 PolarHBondContact O-N 3.14Å; A219-Y223 WeakPolarHBondContact O-CB 3.26Å; A219-Y223 PolarHBondContact O-N 3.36Å
220A94.9Very high93.1Very high0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-61.9-4217800000111.8A78 S82 V146 F150 G216 I217 Y223 E224A78-A220 HydrophobicContact CB-CB 4.04Å; S82-A220 WeakPolarHBondContact OG-CB 3.45Å; V146-A220 HydrophobicContact CG1-CB 4.47Å; F150-A220 HydrophobicContact CD1-CB 4.48Å; F150-A220 HydrophobicContact CD2-CB 4.3Å; F150-A220 HydrophobicContact CE1-CB 3.85Å; F150-A220 HydrophobicContact CE2-CB 3.64Å; F150-A220 HydrophobicContact CZ-CB 3.39Å; G216-A220 WeakPolarHBondContact O-CB 3.43Å; G216-A220 PolarHBondContact O-N 3.34Å; I217-A220 PolarHBondContact O-N 3.24Å; A220-Y223 PolarHBondContact O-N 3.28Å; A220-E224 VanDerWaalsContact O-CB 3.3Å; A220-E224 WeakPolarHBondContact O-CB 3.08Å; A220-E224 WeakPolarHBondContact O-CG 3.38Å; A220-E224 PolarHBondContact O-N 3.13Å
221A93.3Very high91.8Very high31 Ų3148 Ų4826%0.25625%0.247SC..Hα-helixtrans-65.4-45.2176.800000112.2I217 L218 A219 Y223 Y225I217-A221 VanDerWaalsContact O-CB 3.32Å; I217-A221 WeakPolarHBondContact O-CB 3.48Å; I217-A221 PolarHBondContact O-N 3.22Å; L218-A221 PolarHBondContact O-N 3.03Å; A219-A221 VanDerWaalsContact C-N 3.34Å; A219-A221 PolarHBondContact O-N 3.16Å; A221-Y223 VanDerWaalsContact C-N 3.34Å; A221-Y223 PolarHBondContact O-N 2.64Å; A221-Y225 HydrophobicContact CB-CD2 4.1Å; A221-Y225 HydrophobicContact CB-CE2 4.39Å; A221-Y225 WeakPolarHBondContact O-CB 3.46Å; A221-Y225 VanDerWaalsContact O-CD2 3.23Å; A221-Y225 WeakPolarHBondContact O-CD2 3.45Å; A221-Y225 PolarHBondContact O-N 3.35Å
222L94.9Very high90.5Very high53 Ų5353.1 Ų53.128%0.27727%0.271SS..Iπ-helixtrans-61.5-44.2176.7-97.169.2000111F143 L218 A219 L226 Y227F143-L222 HydrophobicContact CE2-CD2 3.93Å; F143-L222 HydrophobicContact CZ-CD2 3.88Å; L218-L222 HydrophobicContact CD1-CD1 3.56Å; L218-L222 HydrophobicContact CG-CD1 4.03Å; L218-L222 VanDerWaalsContact O-CD1 3.31Å; L218-L222 WeakPolarHBondContact O-CD1 3.17Å; L218-L222 PolarHBondContact O-N 2.63Å; A219-L222 PolarHBondContact O-N 3.14Å; L222-L226 WeakPolarHBondContact O-CA 3.36Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.26Å; L222-L226 PolarHBondContact O-N 2.85Å; L222-Y227 HydrophobicContact CB-CD2 4.49Å; L222-Y227 HydrophobicContact CB-CE2 4.43Å; L222-Y227 WeakPolarHBondContact O-CD2 3.35Å; L222-Y227 PolarHBondContact O-N 3.48Å; L222-Y227 VanDerWaalsContact O-N 3.13Å
223Y93.3Very high89.1Confident22 Ų2255.6 Ų55.69%0.08629%0.286CS..Iπ-helixtrans-64.6-51179.4-167.6-91.3000112.1F147 F150 A151 D154 A219 A220 A221 C228F147-Y223 HydrophobicContact CD2-CD2 4.39Å; F147-Y223 AromaticContact CE2-CD2 3.93Å; F147-Y223 HydrophobicContact CE2-CD2 3.93Å; F147-Y223 HydrophobicContact CZ-CD2 4.03Å; F150-Y223 HydrophobicContact CB-CD1 3.73Å; F150-Y223 HydrophobicContact CB-CD2 4.27Å; F150-Y223 HydrophobicContact CB-CE1 4.24Å; F150-Y223 HydrophobicContact CB-CG 3.74Å; F150-Y223 AromaticContact CD1-CD1 3.99Å; F150-Y223 HydrophobicContact CD1-CD1 3.99Å; F150-Y223 HydrophobicContact CD1-CG 4.47Å; F150-Y223 HydrophobicContact CG-CD1 4.35Å; A151-Y223 VanDerWaalsContact CA-CE2 3.46Å; A151-Y223 HydrophobicContact CB-CD2 4.22Å; A151-Y223 HydrophobicContact CB-CE2 3.56Å; D154-Y223 HydrophobicContact CB-CE1 4.2Å; D154-Y223 WeakPolarHBondContact CB-OH 3.32Å; D154-Y223 WeakPolarHBondContact OD2-CE1 3.43Å; D154-Y223 PolarHBondContact OD2-OH 3.23Å; A219-Y223 WeakPolarHBondContact O-CB 3.26Å; A219-Y223 PolarHBondContact O-N 3.36Å; A220-Y223 PolarHBondContact O-N 3.28Å; A221-Y223 VanDerWaalsContact C-N 3.34Å; A221-Y223 PolarHBondContact O-N 2.64Å; Y223-C228 HydrophobicContact CD1-CB 4.3Å; Y223-C228 HydrophobicContact CE1-CB 3.78Å; Y223-C228 PolarHBondContact O-N 3.11Å
224E89.1Confident87.7Confident22 Ų2258.5 Ų58.510%0.10330%0.296CS..Iπ-helixtrans-76.4-25.4-173.7-71.1-69.7168.400114.5K84 F150 A220 P229K84-E224 WeakPolarHBondContact CE-OE1 3.34Å; K84-E224 IonicContact NZ-OE1 3.56Å; K84-E224 PolarHBondContact NZ-OE1 2.99Å; F150-E224 HydrophobicContact CD1-CG 4.02Å; F150-E224 HydrophobicContact CE1-CG 3.78Å; A220-E224 VanDerWaalsContact O-CB 3.3Å; A220-E224 WeakPolarHBondContact O-CB 3.08Å; A220-E224 WeakPolarHBondContact O-CG 3.38Å; A220-E224 PolarHBondContact O-N 3.13Å; E224-P229 WeakPolarHBondContact O-CA 3.39Å
225Y87.3Confident86.3Confident127 Ų12761.3 Ų61.350%0.49831%0.306SS..Iπ-helixtrans-110.5-28.3-175.4-59.8-65.7000113.7A221 V233A221-Y225 HydrophobicContact CB-CD2 4.1Å; A221-Y225 HydrophobicContact CB-CE2 4.39Å; A221-Y225 WeakPolarHBondContact O-CB 3.46Å; A221-Y225 VanDerWaalsContact O-CD2 3.23Å; A221-Y225 WeakPolarHBondContact O-CD2 3.45Å; A221-Y225 PolarHBondContact O-N 3.35Å; Y225-V233 HydrophobicContact CD1-CG1 4.35Å; Y225-V233 HydrophobicContact CE1-CG1 4.11Å
226L89.4Confident85.1Confident119 Ų11968.5 Ų68.562%0.62333%0.333SS*.Iπ-helixtrans-102.4-53.9-178.2-175.363.8000112.2L222L222-L226 WeakPolarHBondContact O-CA 3.36Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.26Å; L222-L226 PolarHBondContact O-N 2.85Å
227Y89.2Confident83.9Confident147 Ų14772.1 Ų72.158%0.57635%0.352SS*.Iπ-helixtrans-87-47.6-169.8-70.1-71.8000114.1F147 L222 P229F147-Y227 AromaticContact CE2-CD2 3.9Å; F147-Y227 HydrophobicContact CE2-CD2 3.9Å; F147-Y227 HydrophobicContact CE2-CE2 4.14Å; F147-Y227 HydrophobicContact CZ-CD2 4.21Å; F147-Y227 HydrophobicContact CZ-CE2 4.44Å; L222-Y227 HydrophobicContact CB-CD2 4.49Å; L222-Y227 HydrophobicContact CB-CE2 4.43Å; L222-Y227 WeakPolarHBondContact O-CD2 3.35Å; L222-Y227 PolarHBondContact O-N 3.48Å; L222-Y227 VanDerWaalsContact O-N 3.13Å; Y227-P229 VanDerWaalsContact C-CD 3.43Å
228C85.6Confident82.7Confident33 Ų3376.2 Ų76.222%0.22337%0.367CS..SBendtrans-130.259.5-176.6-161.10000111.8D154 K156 Y223 D230D154-C228 PolarHBondContact OD2-SG 2.94Å; K156-C228 WeakPolarHBondContact CE-SG 3.44Å; K156-C228 PolarHBondContact NZ-O 2.93Å; K156-C228 PolarHBondContact NZ-SG 3.06Å; Y223-C228 HydrophobicContact CD1-CB 4.3Å; Y223-C228 HydrophobicContact CE1-CB 3.78Å; Y223-C228 PolarHBondContact O-N 3.11Å; C228-D230 PolarHBondContact O-N 3.35Å
229P81.2Confident81.5Confident35 Ų3578 Ų7823%0.22737%0.373CS..  trans-64.4132.2-179.227.6-34.4000112.7E224 Y227 K234E224-P229 WeakPolarHBondContact O-CA 3.39Å; Y227-P229 VanDerWaalsContact C-CD 3.43Å; P229-K234 HydrophobicContact CG-CD 4.35Å
230D75.1Confident80.3Confident69 Ų6982.5 Ų82.537%0.36940%0.401SS..  trans-53.9125.6168.7-173.8-38.5000108.9C228 E232 V233 K234C228-D230 PolarHBondContact O-N 3.35Å; D230-E232 PolarHBondContact O-N 3.38Å; D230-E232 VanDerWaalsContact O-N 3.1Å; D230-E232 WeakPolarHBondContact OD1-CB 3.49Å; D230-E232 PolarHBondContact OD1-N 2.91Å; D230-V233 HydrophobicContact CB-CB 4.06Å; D230-V233 HydrophobicContact CB-CG2 3.87Å; D230-V233 PolarHBondContact O-N 3.34Å; D230-V233 VanDerWaalsContact O-N 3.09Å; D230-K234 WeakPolarHBondContact O-CB 3.32Å; D230-K234 PolarHBondContact O-N 3.46Å
231P72.4Confident79.2Confident96 Ų9690.4 Ų90.462%0.62344%0.436SS*.Hα-helixtrans-50.9-34.5179-25.932.6000113.4K235P231-K235 WeakPolarHBondContact O-CB 3.32Å; P231-K235 PolarHBondContact O-N 3.43Å
232E69.7Low78Confident108 Ų10897.2 Ų97.251%0.50546%0.46SS..Hα-helixtrans-76-40.1-178.9-156178.7150.800111.8D230 K235 R236D230-E232 PolarHBondContact O-N 3.38Å; D230-E232 VanDerWaalsContact O-N 3.1Å; D230-E232 WeakPolarHBondContact OD1-CB 3.49Å; D230-E232 PolarHBondContact OD1-N 2.91Å; E232-K235 WeakPolarHBondContact O-CB 3.25Å; E232-K235 PolarHBondContact O-N 3.32Å; E232-R236 WeakPolarHBondContact O-CG 3.44Å; E232-R236 PolarHBondContact O-N 2.89Å; E232-R236 IonicContact OE1-CZ 3.71Å; E232-R236 IonicContact OE1-NE 3.74Å; E232-R236 IonicContact OE1-NH2 2.85Å; E232-R236 PolarHBondContact OE1-NH2 2.88Å
233V70.8Confident75.9Confident52 Ų52104.5 Ų104.532%0.31549%0.489SS..Hα-helixtrans-64-43.6171.6175.30000110.2Y225 D230 K235 R236 L237Y225-V233 HydrophobicContact CD1-CG1 4.35Å; Y225-V233 HydrophobicContact CE1-CG1 4.11Å; D230-V233 HydrophobicContact CB-CB 4.06Å; D230-V233 HydrophobicContact CB-CG2 3.87Å; D230-V233 PolarHBondContact O-N 3.34Å; D230-V233 VanDerWaalsContact O-N 3.09Å; V233-K235 VanDerWaalsContact C-N 3.28Å; V233-K235 PolarHBondContact O-N 3.12Å; V233-R236 PolarHBondContact O-N 3.15Å; V233-L237 HydrophobicContact CG1-CD1 3.82Å; V233-L237 HydrophobicContact CG1-CG 4.22Å; V233-L237 WeakPolarHBondContact O-CB 3.46Å; V233-L237 WeakPolarHBondContact O-CG 3.35Å; V233-L237 PolarHBondContact O-N 3.22Å
234K68Low74Confident108 Ų108106.6 Ų106.647%0.4750%0.502SS..Hα-helixtrans-59-40.2174.5-171.2175.8-174.3172.50111.4P229 D230 K238P229-K234 HydrophobicContact CG-CD 4.35Å; D230-K234 WeakPolarHBondContact O-CB 3.32Å; D230-K234 PolarHBondContact O-N 3.46Å; K234-K238 WeakPolarHBondContact O-CB 3.36Å; K234-K238 VanDerWaalsContact O-CG 3.29Å; K234-K238 WeakPolarHBondContact O-CG 3.28Å; K234-K238 PolarHBondContact O-N 3.03Å
235K70Confident72.3Confident133 Ų133111.6 Ų111.658%0.57854%0.539SS*.Hα-helixtrans-66.5-45.5176-170.7178.7179.5-176.90111.6P231 E232 V233 K238 Q239P231-K235 WeakPolarHBondContact O-CB 3.32Å; P231-K235 PolarHBondContact O-N 3.43Å; E232-K235 WeakPolarHBondContact O-CB 3.25Å; E232-K235 PolarHBondContact O-N 3.32Å; V233-K235 VanDerWaalsContact C-N 3.28Å; V233-K235 PolarHBondContact O-N 3.12Å; K235-K238 PolarHBondContact O-N 3.06Å; K235-Q239 WeakPolarHBondContact O-CG 3.28Å; K235-Q239 PolarHBondContact O-N 3.45Å
236R72.9Confident70.9Confident152 Ų152110.3 Ų110.357%0.57454%0.544SS*.Hα-helixtrans-64-46176.8-70.8179-167-1565.6112E232 V233 K238 Q239 V240E232-R236 WeakPolarHBondContact O-CG 3.44Å; E232-R236 PolarHBondContact O-N 2.89Å; E232-R236 IonicContact OE1-CZ 3.71Å; E232-R236 IonicContact OE1-NE 3.74Å; E232-R236 IonicContact OE1-NH2 2.85Å; E232-R236 PolarHBondContact OE1-NH2 2.88Å; V233-R236 PolarHBondContact O-N 3.15Å; R236-K238 PolarHBondContact O-N 3.32Å; R236-Q239 WeakPolarHBondContact O-CB 3.48Å; R236-Q239 PolarHBondContact O-N 2.66Å; R236-Q239 VanDerWaalsContact O-N 3.09Å; R236-V240 WeakPolarHBondContact O-CG2 3.48Å; R236-V240 PolarHBondContact O-N 3.15Å
237L71.8Confident69Low75 Ų75108 Ų10839%0.39355%0.55SS..Hα-helixtrans-60.7-45175.5-70.1170.7000110.9V233 Q239 V240 F241V233-L237 HydrophobicContact CG1-CD1 3.82Å; V233-L237 HydrophobicContact CG1-CG 4.22Å; V233-L237 WeakPolarHBondContact O-CB 3.46Å; V233-L237 WeakPolarHBondContact O-CG 3.35Å; V233-L237 PolarHBondContact O-N 3.22Å; L237-Q239 PolarHBondContact O-N 2.79Å; L237-V240 PolarHBondContact O-N 3.03Å; L237-F241 HydrophobicContact CB-CD2 4.36Å; L237-F241 HydrophobicContact CD2-CE2 3.95Å; L237-F241 WeakPolarHBondContact O-CB 3.35Å; L237-F241 WeakPolarHBondContact O-CD2 3.46Å; L237-F241 PolarHBondContact O-N 3.47Å
238K72.9Confident66.8Low141 Ų141109 Ų10961%0.61356%0.557SS**Hα-helixtrans-59.5-34.2173.9-81.3-177176.7-170.80113.1K234 K235 R236 K242K234-K238 WeakPolarHBondContact O-CB 3.36Å; K234-K238 VanDerWaalsContact O-CG 3.29Å; K234-K238 WeakPolarHBondContact O-CG 3.28Å; K234-K238 PolarHBondContact O-N 3.03Å; K235-K238 PolarHBondContact O-N 3.06Å; R236-K238 PolarHBondContact O-N 3.32Å; K238-K242 VanDerWaalsContact O-CB 3.32Å; K238-K242 WeakPolarHBondContact O-CB 3.32Å; K238-K242 PolarHBondContact O-N 3.05Å; K238-K242 VanDerWaalsContact O-N 3.09Å
239Q72.1Confident65Low114 Ų114117.9 Ų117.953%0.53359%0.587SS.*Hα-helixtrans-72.4-41.7175.6-75.2173.6-23.300112K235 R236 L237 K242K235-Q239 WeakPolarHBondContact O-CG 3.28Å; K235-Q239 PolarHBondContact O-N 3.45Å; R236-Q239 WeakPolarHBondContact O-CB 3.48Å; R236-Q239 PolarHBondContact O-N 2.66Å; R236-Q239 VanDerWaalsContact O-N 3.09Å; L237-Q239 PolarHBondContact O-N 2.79Å; Q239-K242 PolarHBondContact O-N 2.85Å
240V72.6Confident63.4Low96 Ų96124.2 Ų124.258%0.58261%0.611SS**Hα-helixtrans-66.3-41.3177.5172.10000111.8R236 L237R236-V240 WeakPolarHBondContact O-CG2 3.48Å; R236-V240 PolarHBondContact O-N 3.15Å; L237-V240 PolarHBondContact O-N 3.03Å
241F71.9Confident62.1Low165 Ų165127 Ų12772%0.72463%0.63SS**THydrogen-bonded Turntrans-89.11.5179.8-68.1-69.8000113.6L237 K243L237-F241 HydrophobicContact CB-CD2 4.36Å; L237-F241 HydrophobicContact CD2-CE2 3.95Å; L237-F241 WeakPolarHBondContact O-CB 3.35Å; L237-F241 WeakPolarHBondContact O-CD2 3.46Å; L237-F241 PolarHBondContact O-N 3.47Å; F241-K243 PolarHBondContact O-N 3.05Å
242K67.4Low60.9Low175 Ų175127.4 Ų127.476%0.76163%0.631SS**  trans-71.4103169.9-131.6-176.5177.5-173.60107.7K238 Q239 D244K238-K242 VanDerWaalsContact O-CB 3.32Å; K238-K242 WeakPolarHBondContact O-CB 3.32Å; K238-K242 PolarHBondContact O-N 3.05Å; K238-K242 VanDerWaalsContact O-N 3.09Å; Q239-K242 PolarHBondContact O-N 2.85Å; K242-D244 PolarHBondContact O-N 3.19Å; K242-D244 VanDerWaalsContact O-N 3.13Å
243K51.2Low59.4Low206 Ų206129.9 Ų129.990%0.89664%0.642SS**  trans-64.7110.9174.7-159.5176.4-174179.90108.3F241F241-K243 PolarHBondContact O-N 3.05Å
244D53.6Low58Low65 Ų65133 Ų13335%0.34867%0.667SS.*  trans-67.2135.7169.1-125.4-15.6000107.9K242 T246 G247K242-D244 PolarHBondContact O-N 3.19Å; K242-D244 VanDerWaalsContact O-N 3.13Å; D244-T246 PolarHBondContact O-N 3.06Å; D244-G247 PolarHBondContact O-N 3.16Å
245S53.7Low56.4Low127 Ų127136.2 Ų136.289%0.88868%0.684SS**THydrogen-bonded Turntrans-63.5-1.9178.840.20000113.6
246T57.9Low54.8Low100 Ų100138 Ų13861%0.61369%0.694SS**THydrogen-bonded Turntrans-1101.5-177.948.30000114.3D244 K248D244-T246 PolarHBondContact O-N 3.06Å; T246-K248 VanDerWaalsContact C-N 3.28Å; T246-K248 PolarHBondContact O-N 2.96Å
247G49.1Very low52.9Low71 Ų71137.9 Ų137.973%0.73271%0.71SS**SBendtrans70.314.8172.600000115.9D244D244-G247 PolarHBondContact O-N 3.16Å
248K42.9Very low51.1Low167 Ų167141.3 Ų141.373%0.72673%0.727SS**  trans-107.9131.3174.6-69.3-173.9179.2-178.80110.8T246T246-K248 VanDerWaalsContact C-N 3.28Å; T246-K248 PolarHBondContact O-N 2.96Å
249Y48.6Very low49.5Very low221 Ų221142.5 Ų142.587%0.86774%0.739SS**  trans-70.4128.6170.5-68.2-87.1000109.4V251Y249-V251 PolarHBondContact O-N 3.05Å
250K47.5Very low47.3Very low168 Ų168146.4 Ų146.473%0.7375%0.754SS**  trans-73.2116.1169-82.8-176.5176.4178.40109.1V252K250-V252 PolarHBondContact O-N 2.75Å
251V46.9Very low45.4Very low127 Ų127147.7 Ų147.777%0.7776%0.764SS**  trans-69.7115166.6-178.20000106.8Y249 E253Y249-V251 PolarHBondContact O-N 3.05Å; V251-E253 PolarHBondContact O-N 3.35Å
252V46.3Very low43.4Very low104 Ų104143.3 Ų143.363%0.6377%0.766SS**  trans-87.398.9171.9-1790000106.7K250 S254K250-V252 PolarHBondContact O-N 2.75Å; V252-S254 PolarHBondContact O-N 3.3Å
253E40.1Very low41.5Very low160 Ų160139.8 Ų139.875%0.74876%0.763SS**  trans-65126.7168.7-83.8178.1159.600109.3V251 E255V251-E253 PolarHBondContact O-N 3.35Å; E253-E255 PolarHBondContact O-N 3.17Å
254S39.8Very low40.8Very low119 Ų119136.2 Ų136.283%0.83276%0.758SS**  trans-8979.5-179.7-540000108.2V252 E256V252-S254 PolarHBondContact O-N 3.3Å; S254-E256 PolarHBondContact O-N 3.28Å
255E35.9Very low39.7Very low175 Ų175140.7 Ų140.782%0.81878%0.777SS**  trans-82.4118173.2-76.8-167.8155.200111.7E253E253-E255 PolarHBondContact O-N 3.17Å
256E35.1Very low38.7Very low171 Ų171141.6 Ų141.680%0.79977%0.772SS**  trans15.8128155.1-61.4-172.2156.400121.4S254 I258S254-E256 PolarHBondContact O-N 3.28Å; E256-I258 VanDerWaalsContact C-N 3.33Å; E256-I258 PolarHBondContact O-N 2.81Å
257T34.3Very low37.6Very low148 Ų148143.9 Ų143.991%0.90878%0.779SS**SBendtrans-71.970172.8-32.90000111.6
258I33.2Very low36.8Very low148 Ų148147.2 Ų147.276%0.75978%0.78SS**  trans-139.6116166.8-55.9-178.6000110.6E256 K260E256-I258 VanDerWaalsContact C-N 3.33Å; E256-I258 PolarHBondContact O-N 2.81Å; I258-K260 PolarHBondContact O-N 3.28Å
259I38.4Very low36.5Very low166 Ų166146.9 Ų146.985%0.85179%0.785SS**  trans-68120.8176.9-61.6164.7000109.8
260K27.6Very low35.8Very low195 Ų195141.3 Ų141.385%0.84877%0.774SS**  trans-160.9152.6142.4-104.6-178-171.1-174.60111.4I258I258-K260 PolarHBondContact O-N 3.28Å
261P31.5Very low35.1Very low123 Ų123142.5 Ų142.580%0.79978%0.782SS**  trans-94.2146.2-15735.6-32.3000114.1
262G31.1Very low34.3Very low74 Ų74145.8 Ų145.876%0.76379%0.786SS**  trans77.689140.100000118.2
263S26.6Very low33.6Very low101 Ų101146.4 Ų146.471%0.70679%0.79SS**  trans-169.5114.614135.20000109.6H265S263-H265 PolarHBondContact O-N 3.46Å
264V35.7Very low33.1Very low130 Ų130146.3 Ų146.379%0.78879%0.79SS**  trans-75.1111.1170.8175.60000107.2
265H31.2Very low32.7Very low160 Ų160148.3 Ų148.374%0.74178%0.783SS**  trans-100.2109.1166-83.5-51.8000109.4S263S263-H265 PolarHBondContact O-N 3.46Å
266N33.3Very low32.3Very low146 Ų146146.2 Ų146.278%0.78178%0.777SS**  trans-80.3114.9156.1-67.5-39.4000106.3D268N266-D268 PolarHBondContact O-N 3.08Å
267I35.2Very low32Very low148 Ų148144.8 Ų144.876%0.75978%0.775SS**  trans-85100.6170.5-60.2174000106.3
268D31.3Very low31.6Very low140 Ų140143.5 Ų143.575%0.74977%0.772SS**  trans-84.8117.2170.3-137.4-12.9000108.2N266 T270N266-D268 PolarHBondContact O-N 3.08Å; D268-T270 PolarHBondContact O-N 3.23Å; D268-T270 VanDerWaalsContact O-N 3.07Å
269L37.6Very low31.2Very low160 Ų160145.9 Ų145.984%0.83878%0.778SS**  trans-84.752.9-178.9-83.9167.8000111
270T33.4Very low30.8Very low104 Ų104147.2 Ų147.264%0.63878%0.78SS**  trans-159.699.5170.440.90000110.1D268D268-T270 PolarHBondContact O-N 3.23Å; D268-T270 VanDerWaalsContact O-N 3.07Å
271E32Very low30.8Very low194 Ų194147.1 Ų147.191%0.90778%0.783SS**  159.9124.8126.9-87.6-179.8164.200110.9
272K31.6Very low30.8Very low196 Ų196146.5 Ų146.585%0.85278%0.782SS**  trans-75.3159162.4-79.5172.1159.8174.50108.6
273V29.9Very low30.7Very low116 Ų116148.5 Ų148.570%0.70378%0.784SS**  trans109.7117.7144.9-1700000115.8
274E30.6Very low30.9Very low159 Ų159146.9 Ų146.974%0.74378%0.783SS**  trans72.3146.3151.8-78.2173.7-174.500118.9
275K30.8Very low30.8Very low161 Ų161149.6 Ų149.670%0.779%0.787SS**  cis-171.1153-5.3-135.8171.7-178165.50107.8
276N28Very low30.9Very low130 Ų130147.2 Ų147.270%0.69578%0.784SS**  trans56.3125.7145.9-83.720.7000125.1
277D27.9Very low31Very low141 Ų141147.9 Ų147.975%0.75479%0.786SS**  43.7124.3126.8-66.4-22.4000121.7
278S27.6Very low31Very low121 Ų121145.1 Ų145.185%0.84678%0.781SS**  174.3147.6103.943.60000114.4
279F24.7Very low31.3Very low198 Ų198143.5 Ų143.587%0.86878%0.78SS**  trans-39147.5168.7-83.5-111.9000117.3
280Q28.7Very low31.7Very low194 Ų194146.4 Ų146.491%0.90780%0.804SS**  179.7139.3107.2-102.6-177.5-39.200114.1
281E28.5Very low31.6Very low193 Ų193148.5 Ų148.590%0.90281%0.812SS**  trans-68.3153.9167.9-73.1171.8129.600113
282S30.6Very low31.6Very low111 Ų111146.1 Ų146.178%0.77681%0.807SS**  trans-161.1108.5141.1175.90000111.9
283S30.2Very low31.6Very low115 Ų115143.3 Ų143.380%0.80481%0.805SS**  trans-12.5154.1141.729.10000121.2
284G29.9Very low31.7Very low68 Ų68144.9 Ų144.970%0.70181%0.811SS**  trans126.996.1149.700000114.8
285E34.9Very low31.8Very low187 Ų187144.1 Ų144.187%0.87482%0.815SS**  84104.292.1-83.2-151.814200114.8
286V32.7Very low31.8Very low110 Ų110142.9 Ų142.967%0.66782%0.823SS**  93.9141.596.2-1540000114.6
287L35.5Very low32.1Very low159 Ų159143.9 Ų143.983%0.83283%0.832SS**  trans84.8147.5158.5-55.6173.3000116.6
288S34.6Very low32.4Very low91 Ų91144.1 Ų144.164%0.63684%0.838SS**  cis-174.7144-21.158.60000105.3
289S38.5Very low32.8Very low106 Ų106146 Ų14674%0.74184%0.837SS**  trans7.8122.4149.850.80000120.3
290V45Very low33.6Very low220 Ų220141.3 Ų141.3100%1.33383%0.834SS**  -136.20120.8-1770000107.6

Retrieved 290 of 290 residues in 148.8 ms (Link to these results)

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