A0A093I088_STRCA Loading...

GA-binding protein subunit beta-1

AlphaFold DB , UniProt , Accession A0A093I088, Species STRCA (Struthio camelus australis), Gene n/a, Length 383 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
1M70.5Confident89.5Confident135 Ų13566.5 Ų66.567%0.66534%0.342SS*.  0138.90-116.216685.300107.6D5 L6 K9M1-D5 HydrophobicContact CE-CB 4.09Å; M1-D5 HydrophobicContact CG-CB 4.16Å; M1-L6 HydrophobicContact CE-CB 4.08Å; M1-L6 HydrophobicContact CE-CD1 3.69Å; M1-K9 HydrophobicContact CE-CB 4.24Å; M1-K9 HydrophobicContact CE-CD 3.4Å; M1-K9 VanDerWaalsContact CE-CE 3.43Å; M1-K9 HydrophobicContact CE-CG 3.74Å; M1-K9 HydrophobicContact SD-CD 4.09Å; M1-K9 VanDerWaalsContact SD-CE 3.6Å; M1-K9 PolarHBondContact SD-NZ 3.18Å
2S87.8Confident90Very high55 Ų5570.1 Ų70.139%0.38536%0.356SS..  trans-70.7156.7172.776.30000109.9V4 D5 L6S2-V4 PolarHBondContact O-N 3.46Å; S2-D5 WeakPolarHBondContact CB-OD2 3.37Å; S2-D5 PolarHBondContact N-OD2 3.03Å; S2-D5 PolarHBondContact O-N 3.22Å; S2-D5 VanDerWaalsContact O-N 3.14Å; S2-D5 PolarHBondContact OG-N 3.49Å; S2-D5 VanDerWaalsContact OG-N 3.1Å; S2-D5 PolarHBondContact OG-OD2 3.1Å; S2-L6 PolarHBondContact O-N 3.47Å
3L86.3Confident90.5Very high114 Ų11464.8 Ų64.860%0.59733%0.33SS*.Hα-helixtrans-59.1-31.6177.1-151.182.6000111.6L6 G7 P31L3-L6 PolarHBondContact O-N 3.5Å; L3-G7 PolarHBondContact O-N 3.37Å; L3-P31 HydrophobicContact CD2-CB 4.32Å; L3-P31 HydrophobicContact CD2-CG 3.88Å; L3-P31 HydrophobicContact CG-CG 3.75Å
4V87.8Confident90.9Very high89 Ų8960.2 Ų60.254%0.53931%0.306SS..Hα-helixtrans-69.5-43.8176.7179.90000111.4S2 L6 G7 K8S2-V4 PolarHBondContact O-N 3.46Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.49Å; V4-G7 PolarHBondContact O-N 2.68Å; V4-K8 WeakPolarHBondContact O-CG 3.34Å; V4-K8 PolarHBondContact O-N 3.38Å
5D90.9Very high91.2Very high72 Ų7262.9 Ų62.939%0.38531%0.311SS..Hα-helixtrans-65.5-35.5176.6-57.2-40.6000111M1 S2 K8 K9M1-D5 HydrophobicContact CE-CB 4.09Å; M1-D5 HydrophobicContact CG-CB 4.16Å; S2-D5 WeakPolarHBondContact CB-OD2 3.37Å; S2-D5 PolarHBondContact N-OD2 3.03Å; S2-D5 PolarHBondContact O-N 3.22Å; S2-D5 VanDerWaalsContact O-N 3.14Å; S2-D5 PolarHBondContact OG-N 3.49Å; S2-D5 VanDerWaalsContact OG-N 3.1Å; S2-D5 PolarHBondContact OG-OD2 3.1Å; D5-K8 PolarHBondContact O-N 3.26Å; D5-K9 WeakPolarHBondContact O-CG 3.43Å; D5-K9 PolarHBondContact O-N 3.09Å
6L91.8Very high91.5Very high18 Ų1862.1 Ų62.19%0.09432%0.318CS..Hα-helixtrans-66.3-43.3177.5-163.567.1000111.5M1 S2 L3 V4 K9 L10 L25 N28 A30M1-L6 HydrophobicContact CE-CB 4.08Å; M1-L6 HydrophobicContact CE-CD1 3.69Å; S2-L6 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 3.5Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.49Å; L6-K9 PolarHBondContact O-N 3.28Å; L6-L10 PolarHBondContact O-N 3.27Å; L6-L25 HydrophobicContact CD1-CD2 3.44Å; L6-L25 VanDerWaalsContact CD1-CD2 3.44Å; L6-L25 HydrophobicContact CG-CD2 4.43Å; L6-N28 HydrophobicContact CD2-CB 4.38Å; L6-A30 VanDerWaalsContact CD2-CA 3.44Å; L6-A30 HydrophobicContact CD2-CB 3.91Å; L6-A30 HydrophobicContact CG-CB 3.69Å
7G91.4Very high91.7Very high0 Ų059.6 Ų59.60%031%0.311CS..Hα-helixtrans-62.7-41.3172.800000113.4L3 V4 L10 L11 T33L3-G7 PolarHBondContact O-N 3.37Å; V4-G7 PolarHBondContact O-N 2.68Å; G7-L10 WeakPolarHBondContact O-CB 3.34Å; G7-L10 PolarHBondContact O-N 3.49Å; G7-L11 PolarHBondContact O-N 3.33Å; G7-L11 VanDerWaalsContact O-N 3.07Å; G7-T33 WeakPolarHBondContact CA-OG1 3.39Å; G7-T33 PolarHBondContact O-OG1 3.08Å
8K92.9Very high92Very high132 Ų13261.4 Ų61.457%0.57432%0.317SS*.Hα-helixtrans-63.3-42.2174.4-73.5178-178.4177.30112.5V4 D5 L10 L11 E12V4-K8 WeakPolarHBondContact O-CG 3.34Å; V4-K8 PolarHBondContact O-N 3.38Å; D5-K8 PolarHBondContact O-N 3.26Å; K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 3.48Å; K8-L11 PolarHBondContact O-N 3.2Å; K8-E12 PolarHBondContact O-N 2.73Å; K8-E12 VanDerWaalsContact O-N 3.08Å
9K94.7Very high92Very high99 Ų9961.1 Ų61.143%0.4332%0.316SS..Hα-helixtrans-63.8-36.9174.3-74.4-156.3-168.2173.70112.1M1 D5 L6 L11 E12 A13 L25M1-K9 HydrophobicContact CE-CB 4.24Å; M1-K9 HydrophobicContact CE-CD 3.4Å; M1-K9 VanDerWaalsContact CE-CE 3.43Å; M1-K9 HydrophobicContact CE-CG 3.74Å; M1-K9 HydrophobicContact SD-CD 4.09Å; M1-K9 VanDerWaalsContact SD-CE 3.6Å; M1-K9 PolarHBondContact SD-NZ 3.18Å; D5-K9 WeakPolarHBondContact O-CG 3.43Å; D5-K9 PolarHBondContact O-N 3.09Å; L6-K9 PolarHBondContact O-N 3.28Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 3.33Å; K9-E12 PolarHBondContact O-N 3.15Å; K9-A13 WeakPolarHBondContact O-CB 3.4Å; K9-A13 PolarHBondContact O-N 3.28Å; K9-L25 HydrophobicContact CB-CD1 4.01Å; K9-L25 HydrophobicContact CB-CD2 4.13Å
10L95.4Very high92.2Very high0 Ų063.8 Ų63.80%033%0.331CS..Hα-helixtrans-63.2-40.4176.4-176.665.8000111.7L6 G7 K8 A14 V22 L25 M26 A30 F32 P41L6-L10 PolarHBondContact O-N 3.27Å; G7-L10 WeakPolarHBondContact O-CB 3.34Å; G7-L10 PolarHBondContact O-N 3.49Å; K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 3.48Å; L10-A14 VanDerWaalsContact O-CB 3.28Å; L10-A14 WeakPolarHBondContact O-CB 3.14Å; L10-A14 PolarHBondContact O-N 3.12Å; L10-V22 HydrophobicContact CD1-CB 4.36Å; L10-V22 HydrophobicContact CD1-CG1 4.03Å; L10-V22 HydrophobicContact CD1-CG2 4.27Å; L10-L25 HydrophobicContact CB-CD1 4.28Å; L10-L25 HydrophobicContact CD1-CB 4.09Å; L10-L25 HydrophobicContact CD1-CD1 4.33Å; L10-M26 HydrophobicContact CD1-CG 3.98Å; L10-M26 HydrophobicContact CD1-SD 4.35Å; L10-M26 HydrophobicContact CD2-CG 4.46Å; L10-A30 HydrophobicContact CB-CB 4.31Å; L10-A30 HydrophobicContact CD2-CB 3.98Å; L10-F32 HydrophobicContact CD2-CD1 4.06Å; L10-P41 HydrophobicContact CD2-CG 3.97Å; L10-P41 HydrophobicContact CG-CB 4.36Å; L10-P41 HydrophobicContact CG-CG 4.01Å
11L95.1Very high92.3Very high18 Ų1864.4 Ų64.49%0.09433%0.333CS..Hα-helixtrans-61.9-43.6173.5-71.1167.5000111.7G7 K8 K9 A14 R15 D35 P41 L44G7-L11 PolarHBondContact O-N 3.33Å; G7-L11 VanDerWaalsContact O-N 3.07Å; K8-L11 PolarHBondContact O-N 3.2Å; K9-L11 VanDerWaalsContact C-N 3.32Å; K9-L11 PolarHBondContact O-N 3.33Å; L11-A14 PolarHBondContact O-N 3.19Å; L11-R15 WeakPolarHBondContact O-CB 3.45Å; L11-R15 PolarHBondContact O-N 3.41Å; L11-D35 HydrophobicContact CD1-CB 4.17Å; L11-P41 HydrophobicContact CD2-CB 4.4Å; L11-P41 HydrophobicContact CD2-CG 3.78Å; L11-P41 HydrophobicContact CG-CG 4.4Å; L11-L44 HydrophobicContact CB-CD1 4Å; L11-L44 HydrophobicContact CD2-CD1 3.79Å; L11-L44 VanDerWaalsContact O-CD1 3.32Å; L11-L44 WeakPolarHBondContact O-CD1 3.28Å
12E95.1Very high93.5Very high109 Ų10958 Ų5851%0.50930%0.301SS..Hα-helixtrans-68-44.3179.5-167.260.3-155.900112.2K8 K9 A14 R15 A16K8-E12 PolarHBondContact O-N 2.73Å; K8-E12 VanDerWaalsContact O-N 3.08Å; K9-E12 PolarHBondContact O-N 3.15Å; E12-A14 VanDerWaalsContact C-N 3.29Å; E12-A14 PolarHBondContact O-N 3.09Å; E12-R15 WeakPolarHBondContact O-CB 3.39Å; E12-R15 PolarHBondContact O-N 3.15Å; E12-A16 WeakPolarHBondContact O-CB 3.29Å; E12-A16 PolarHBondContact O-N 3.1Å
13A96.3Very high93.9Very high2 Ų261.9 Ų61.92%0.01731%0.307CS..Hα-helixtrans-61.5-39.6176.100000111.4K9 A16 G17 Q18 E21 V22 L25K9-A13 WeakPolarHBondContact O-CB 3.4Å; K9-A13 PolarHBondContact O-N 3.28Å; A13-A16 PolarHBondContact O-N 3.37Å; A13-G17 PolarHBondContact O-N 2.94Å; A13-Q18 PolarHBondContact O-N 3.07Å; A13-E21 HydrophobicContact CB-CB 4.18Å; A13-E21 HydrophobicContact CB-CG 3.94Å; A13-V22 HydrophobicContact CB-CG2 3.71Å; A13-L25 HydrophobicContact CB-CD1 3.93Å
14A96.3Very high94.3Very high0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-67.9-36.2175.800000113L10 L11 E12 G17 V22 P41 H50 T53 L57L10-A14 VanDerWaalsContact O-CB 3.28Å; L10-A14 WeakPolarHBondContact O-CB 3.14Å; L10-A14 PolarHBondContact O-N 3.12Å; L11-A14 PolarHBondContact O-N 3.19Å; E12-A14 VanDerWaalsContact C-N 3.29Å; E12-A14 PolarHBondContact O-N 3.09Å; A14-G17 PolarHBondContact O-N 2.96Å; A14-V22 HydrophobicContact CB-CG2 4.44Å; A14-P41 HydrophobicContact CB-CB 3.74Å; A14-P41 WeakPolarHBondContact CB-O 3.48Å; A14-H50 PolarHBondContact O-CD2 3.04Å; A14-T53 HydrophobicContact CB-CG2 4.27Å; A14-L57 HydrophobicContact CB-CD1 4.3Å
15R95.8Very high94.6Very high100 Ų10056.7 Ų56.738%0.37728%0.28SS..Hα-helixtrans-65.4-41.6172.7174.6-177.9-62.3-142.2-2.3112.1L11 E12 G17 L44 Y48 H50L11-R15 WeakPolarHBondContact O-CB 3.45Å; L11-R15 PolarHBondContact O-N 3.41Å; E12-R15 WeakPolarHBondContact O-CB 3.39Å; E12-R15 PolarHBondContact O-N 3.15Å; R15-G17 VanDerWaalsContact C-N 3.3Å; R15-L44 HydrophobicContact CB-CB 4.29Å; R15-L44 HydrophobicContact CB-CD1 4.27Å; R15-Y48 HydrophobicContact CB-CE2 4.42Å; R15-Y48 HydrophobicContact CG-CD2 4Å; R15-Y48 HydrophobicContact CG-CE2 3.61Å; R15-H50 PolarHBondContact O-CD2 3.48Å; R15-H50 PolarHBondContact O-NE2 3.35Å
16A96.4Very high94.7Very high51 Ų5155 Ų5542%0.42127%0.27SS..Hα-helixtrans-76.9-16.1179.400000113.3E12 A13 Q18E12-A16 WeakPolarHBondContact O-CB 3.29Å; E12-A16 PolarHBondContact O-N 3.1Å; A13-A16 PolarHBondContact O-N 3.37Å; A16-Q18 HydrophobicContact CB-CG 4.03Å
17G95Very high94.7Very high19 Ų1958.3 Ų58.320%0.19630%0.3CS..THydrogen-bonded Turntrans7822.7-177.900000114A13 A14 R15 D19 H50A13-G17 PolarHBondContact O-N 2.94Å; A14-G17 PolarHBondContact O-N 2.96Å; R15-G17 VanDerWaalsContact C-N 3.3Å; G17-D19 PolarHBondContact O-N 3.37Å; G17-D19 VanDerWaalsContact O-N 3.15Å; G17-H50 WeakPolarHBondContact CA-CD2 3.42Å; G17-H50 PolarHBondContact N-CD2 3.37Å; G17-H50 PolarHBondContact N-NE2 3.38Å
18Q95.8Very high94.7Very high92 Ų9263.5 Ų63.543%0.4333%0.328SS..  trans-83.986-178.9-67.7172.1-33.100110.3A13 A16 D20 E21 V22A13-Q18 PolarHBondContact O-N 3.07Å; A16-Q18 HydrophobicContact CB-CG 4.03Å; Q18-D20 PolarHBondContact O-N 3.04Å; Q18-E21 HydrophobicContact CB-CB 3.93Å; Q18-E21 PolarHBondContact O-N 3.44Å; Q18-E21 PolarHBondContact OE1-OE2 3.09Å; Q18-V22 VanDerWaalsContact O-CG2 3.29Å; Q18-V22 WeakPolarHBondContact O-CG2 3.47Å; Q18-V22 PolarHBondContact O-N 2.9Å
19D93.7Very high94.5Very high55 Ų5559.3 Ų59.329%0.29432%0.322SS..Hα-helixtrans-62.9-39.2-175.264.5-54.4000113.1G17 V22 R23G17-D19 PolarHBondContact O-N 3.37Å; G17-D19 VanDerWaalsContact O-N 3.15Å; D19-V22 PolarHBondContact O-N 3.34Å; D19-R23 VanDerWaalsContact O-CG 3.29Å; D19-R23 WeakPolarHBondContact O-CG 3.43Å; D19-R23 PolarHBondContact O-N 3.49Å
20D95.1Very high94.3Very high116 Ų11655 Ų5562%0.6231%0.305SS*.Hα-helixtrans-61.4-45.5174.3-77.3-30000112Q18 R23 V24Q18-D20 PolarHBondContact O-N 3.04Å; D20-R23 PolarHBondContact O-N 3.49Å; D20-V24 VanDerWaalsContact O-CG2 3.31Å; D20-V24 WeakPolarHBondContact O-CG2 3.48Å; D20-V24 PolarHBondContact O-N 2.95Å
21E95.1Very high94Very high76 Ų7656.7 Ų56.736%0.35532%0.316SS..Hα-helixtrans-66.6-41.1178.7-175.3163.8177.100110.6A13 Q18 R23 V24 L25A13-E21 HydrophobicContact CB-CB 4.18Å; A13-E21 HydrophobicContact CB-CG 3.94Å; Q18-E21 HydrophobicContact CB-CB 3.93Å; Q18-E21 PolarHBondContact O-N 3.44Å; Q18-E21 PolarHBondContact OE1-OE2 3.09Å; E21-R23 PolarHBondContact O-N 2.88Å; E21-V24 PolarHBondContact O-N 3.3Å; E21-L25 HydrophobicContact CG-CD1 3.76Å; E21-L25 HydrophobicContact CG-CG 4.06Å; E21-L25 WeakPolarHBondContact O-CB 3.4Å; E21-L25 WeakPolarHBondContact O-CG 3.47Å; E21-L25 PolarHBondContact O-N 3.46Å
22V95.5Very high93.6Very high0 Ų060.2 Ų60.20%033%0.331CS..Hα-helixtrans-57-47.6173.7167.50000110.9L10 A13 A14 Q18 D19 V24 L25 M26 T53 V56 L57L10-V22 HydrophobicContact CD1-CB 4.36Å; L10-V22 HydrophobicContact CD1-CG1 4.03Å; L10-V22 HydrophobicContact CD1-CG2 4.27Å; A13-V22 HydrophobicContact CB-CG2 3.71Å; A14-V22 HydrophobicContact CB-CG2 4.44Å; Q18-V22 VanDerWaalsContact O-CG2 3.29Å; Q18-V22 WeakPolarHBondContact O-CG2 3.47Å; Q18-V22 PolarHBondContact O-N 2.9Å; D19-V22 PolarHBondContact O-N 3.34Å; V22-V24 PolarHBondContact O-N 2.98Å; V22-L25 PolarHBondContact O-N 3.06Å; V22-M26 HydrophobicContact CG1-SD 3.39Å; V22-M26 WeakPolarHBondContact CG1-SD 3.47Å; V22-M26 WeakPolarHBondContact O-CB 3.48Å; V22-M26 WeakPolarHBondContact O-CG 3.39Å; V22-M26 PolarHBondContact O-N 3.33Å; V22-M26 VanDerWaalsContact O-SD 3.34Å; V22-T53 HydrophobicContact CG1-CG2 4.48Å; V22-T53 HydrophobicContact CG2-CG2 4.01Å; V22-V56 HydrophobicContact CG1-CG1 4.08Å; V22-L57 HydrophobicContact CG1-CD2 3.87Å; V22-L57 HydrophobicContact CG1-CG 4.25Å
23R94.9Very high93.3Very high137 Ų13757.1 Ų57.152%0.51732%0.319SS..Hα-helixtrans-60.3-45.8176.4-71.3171.9-170.3-954112.2D19 D20 E21 M26 A27 V56D19-R23 VanDerWaalsContact O-CG 3.29Å; D19-R23 WeakPolarHBondContact O-CG 3.43Å; D19-R23 PolarHBondContact O-N 3.49Å; D20-R23 PolarHBondContact O-N 3.49Å; E21-R23 PolarHBondContact O-N 2.88Å; R23-M26 PolarHBondContact O-N 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.42Å; R23-A27 PolarHBondContact O-N 3.49Å; R23-V56 HydrophobicContact CG-CG1 3.84Å; R23-V56 HydrophobicContact CG-CG2 4.36Å; R23-V56 VanDerWaalsContact CZ-CG2 3.46Å; R23-V56 VanDerWaalsContact NH2-CG2 3.28Å
24V95.2Very high93.1Very high84 Ų8460.7 Ų60.751%0.50934%0.341SS..Hα-helixtrans-64.6-44.2179.51700000111D20 E21 V22 M26 A27 N28D20-V24 VanDerWaalsContact O-CG2 3.31Å; D20-V24 WeakPolarHBondContact O-CG2 3.48Å; D20-V24 PolarHBondContact O-N 2.95Å; E21-V24 PolarHBondContact O-N 3.3Å; V22-V24 PolarHBondContact O-N 2.98Å; V24-M26 VanDerWaalsContact C-N 3.34Å; V24-M26 PolarHBondContact O-N 3.26Å; V24-A27 PolarHBondContact O-N 2.9Å; V24-N28 WeakPolarHBondContact O-CB 3.49Å; V24-N28 VanDerWaalsContact O-CG 3.23Å; V24-N28 PolarHBondContact O-N 3.31Å; V24-N28 PolarHBondContact O-ND2 3.15Å
25L94.3Very high92.8Very high11 Ų1162.4 Ų62.46%0.05835%0.35CS..Hα-helixtrans-62.3-43178.1-70.6171.9000111.1L6 K9 L10 A13 E21 V22 N28 G29 A30L6-L25 HydrophobicContact CD1-CD2 3.44Å; L6-L25 VanDerWaalsContact CD1-CD2 3.44Å; L6-L25 HydrophobicContact CG-CD2 4.43Å; K9-L25 HydrophobicContact CB-CD1 4.01Å; K9-L25 HydrophobicContact CB-CD2 4.13Å; L10-L25 HydrophobicContact CB-CD1 4.28Å; L10-L25 HydrophobicContact CD1-CB 4.09Å; L10-L25 HydrophobicContact CD1-CD1 4.33Å; A13-L25 HydrophobicContact CB-CD1 3.93Å; E21-L25 HydrophobicContact CG-CD1 3.76Å; E21-L25 HydrophobicContact CG-CG 4.06Å; E21-L25 WeakPolarHBondContact O-CB 3.4Å; E21-L25 WeakPolarHBondContact O-CG 3.47Å; E21-L25 PolarHBondContact O-N 3.46Å; V22-L25 PolarHBondContact O-N 3.06Å; L25-N28 CarbonylContact O-C 3.53Å; L25-N28 WeakPolarHBondContact O-CB 3.5Å; L25-N28 PolarHBondContact O-N 3.25Å; L25-G29 PolarHBondContact O-N 3.43Å; L25-A30 HydrophobicContact CB-CB 4.14Å; L25-A30 WeakPolarHBondContact O-CB 3.41Å; L25-A30 PolarHBondContact O-N 3.37Å
26M92.1Very high92.5Very high36 Ų3666.8 Ų66.818%0.17737%0.367CS..Hα-helixtrans-66.3-40.5177.1-68.716256.900112.2L10 V22 R23 V24 N28 G29 F32 V56 L57 A60L10-M26 HydrophobicContact CD1-CG 3.98Å; L10-M26 HydrophobicContact CD1-SD 4.35Å; L10-M26 HydrophobicContact CD2-CG 4.46Å; V22-M26 HydrophobicContact CG1-SD 3.39Å; V22-M26 WeakPolarHBondContact CG1-SD 3.47Å; V22-M26 WeakPolarHBondContact O-CB 3.48Å; V22-M26 WeakPolarHBondContact O-CG 3.39Å; V22-M26 PolarHBondContact O-N 3.33Å; V22-M26 VanDerWaalsContact O-SD 3.34Å; R23-M26 PolarHBondContact O-N 3.26Å; V24-M26 VanDerWaalsContact C-N 3.34Å; V24-M26 PolarHBondContact O-N 3.26Å; M26-N28 PolarHBondContact O-N 2.92Å; M26-G29 PolarHBondContact O-N 3.41Å; M26-F32 HydrophobicContact CE-CE1 4.25Å; M26-F32 HydrophobicContact CG-CE1 4.22Å; M26-V56 HydrophobicContact CE-CG1 4.22Å; M26-V56 HydrophobicContact SD-CG1 4.19Å; M26-L57 HydrophobicContact SD-CD2 3.94Å; M26-A60 HydrophobicContact CE-CB 2.92Å
27A92.1Very high92.3Very high87 Ų8767.8 Ų67.872%0.71937%0.365SS*.Hα-helixtrans-62.3-31.8173.200000112.5R23 V24 G29R23-A27 WeakPolarHBondContact O-CB 3.42Å; R23-A27 PolarHBondContact O-N 3.49Å; V24-A27 PolarHBondContact O-N 2.9Å; A27-G29 PolarHBondContact O-N 3.46Å
28N91.4Very high92.2Very high109 Ų10967.6 Ų67.658%0.58336%0.363SS*.THydrogen-bonded Turntrans-784.8173.9-69.6-36000113.8L6 V24 L25 M26L6-N28 HydrophobicContact CD2-CB 4.38Å; V24-N28 WeakPolarHBondContact O-CB 3.49Å; V24-N28 VanDerWaalsContact O-CG 3.23Å; V24-N28 PolarHBondContact O-N 3.31Å; V24-N28 PolarHBondContact O-ND2 3.15Å; L25-N28 CarbonylContact O-C 3.53Å; L25-N28 WeakPolarHBondContact O-CB 3.5Å; L25-N28 PolarHBondContact O-N 3.25Å; M26-N28 PolarHBondContact O-N 2.92Å
29G89.3Confident92.2Very high45 Ų4563.8 Ų63.846%0.46435%0.346SS..THydrogen-bonded Turntrans79.630.1178.400000113.9L25 M26 A27 P31L25-G29 PolarHBondContact O-N 3.43Å; M26-G29 PolarHBondContact O-N 3.41Å; A27-G29 PolarHBondContact O-N 3.46Å; G29-P31 WeakPolarHBondContact O-CD 3.1Å
30A89.9Confident92.3Very high8 Ų861.4 Ų61.47%0.06633%0.333CS..  trans-56.4120.9171.700000110.3L6 L10 L25L6-A30 VanDerWaalsContact CD2-CA 3.44Å; L6-A30 HydrophobicContact CD2-CB 3.91Å; L6-A30 HydrophobicContact CG-CB 3.69Å; L10-A30 HydrophobicContact CB-CB 4.31Å; L10-A30 HydrophobicContact CD2-CB 3.98Å; L25-A30 HydrophobicContact CB-CB 4.14Å; L25-A30 WeakPolarHBondContact O-CB 3.41Å; L25-A30 PolarHBondContact O-N 3.37Å
31P89.4Confident92.3Very high36 Ų3655.9 Ų55.923%0.23430%0.304CS..  trans-66.7145.5172.229.7-36.2000109.4L3 G29 T33L3-P31 HydrophobicContact CD2-CB 4.32Å; L3-P31 HydrophobicContact CD2-CG 3.88Å; L3-P31 HydrophobicContact CG-CG 3.75Å; G29-P31 WeakPolarHBondContact O-CD 3.1Å; P31-T33 HydrophobicContact CB-CG2 3.96Å; P31-T33 HydrophobicContact CG-CG2 3.65Å; P31-T33 PolarHBondContact O-N 2.87Å
32F87.9Confident92.4Very high91 Ų9152.2 Ų52.240%0.39929%0.287SS..  trans-73.764.7171.6-53.7-45000110.7L10 M26 A60 V62L10-F32 HydrophobicContact CD2-CD1 4.06Å; M26-F32 HydrophobicContact CE-CE1 4.25Å; M26-F32 HydrophobicContact CG-CE1 4.22Å; F32-A60 HydrophobicContact CZ-CB 4.12Å; F32-V62 HydrophobicContact CD1-CG2 3.56Å; F32-V62 HydrophobicContact CD2-CG2 4.03Å; F32-V62 HydrophobicContact CE1-CG2 3.58Å; F32-V62 HydrophobicContact CE2-CG2 4.05Å; F32-V62 HydrophobicContact CG-CG2 3.8Å; F32-V62 HydrophobicContact CZ-CG2 3.83Å
33T88.6Confident92.5Very high44 Ų4452.2 Ų52.227%0.2729%0.287SS..  trans-73.7147.818053.30000111G7 P31G7-T33 WeakPolarHBondContact CA-OG1 3.39Å; G7-T33 PolarHBondContact O-OG1 3.08Å; P31-T33 HydrophobicContact CB-CG2 3.96Å; P31-T33 HydrophobicContact CG-CG2 3.65Å; P31-T33 PolarHBondContact O-N 2.87Å
34T91.6Very high92.6Very high77 Ų7745.9 Ų45.947%0.47226%0.263SS..  trans-96156166.658.30000110.9T39T34-T39 CarbonylContact C-O 3.58Å; T34-T39 WeakPolarHBondContact CA-O 3.37Å
35D90.6Very high92.7Very high36 Ų3641.9 Ų41.919%0.19324%0.239CC..  trans-71.5-174.9169.274.72.6000112.1L11 L37 G38 T39L11-D35 HydrophobicContact CD1-CB 4.17Å; D35-L37 PolarHBondContact O-N 2.99Å; D35-L37 VanDerWaalsContact OD1-CA 3.29Å; D35-L37 WeakPolarHBondContact OD1-CA 3.21Å; D35-L37 WeakPolarHBondContact OD1-CB 3.34Å; D35-L37 PolarHBondContact OD1-N 2.96Å; D35-G38 PolarHBondContact O-N 3.43Å; D35-G38 VanDerWaalsContact O-N 3.08Å; D35-G38 PolarHBondContact OD1-N 3.23Å; D35-T39 VanDerWaalsContact CG-OG1 3.3Å; D35-T39 PolarHBondContact N-O 2.87Å; D35-T39 WeakPolarHBondContact OD1-CA 3.41Å; D35-T39 VanDerWaalsContact OD1-CB 3.23Å; D35-T39 WeakPolarHBondContact OD1-CB 3.44Å; D35-T39 PolarHBondContact OD1-N 3.33Å; D35-T39 PolarHBondContact OD1-OG1 3.43Å; D35-T39 VanDerWaalsContact OD2-CB 3.24Å; D35-T39 WeakPolarHBondContact OD2-CB 3.38Å; D35-T39 PolarHBondContact OD2-OG1 3.44Å
36W89.6Confident92.9Very high192 Ų19241.4 Ų41.473%0.72724%0.236SC*.THydrogen-bonded Turntrans-67.5-11.917863.8-82.5000114K69W36-K69 WeakPolarHBondContact O-CE 3.38Å; W36-K69 PolarHBondContact O-NZ 3.5Å
37L91.4Very high93.1Very high73 Ų7342.2 Ų42.238%0.38224%0.24SC..THydrogen-bonded Turntrans-96.6-3.1173.8-69169.5000112.5D35 T39 K69D35-L37 PolarHBondContact O-N 2.99Å; D35-L37 VanDerWaalsContact OD1-CA 3.29Å; D35-L37 WeakPolarHBondContact OD1-CA 3.21Å; D35-L37 WeakPolarHBondContact OD1-CB 3.34Å; D35-L37 PolarHBondContact OD1-N 2.96Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-K69 WeakPolarHBondContact O-CB 3.49Å; L37-K69 WeakPolarHBondContact O-CG 3.41Å; L37-K69 PolarHBondContact O-N 3.33Å
38G93Very high93.4Very high14 Ų1443.3 Ų43.314%0.14423%0.226CC..  trans80.912.3-172.900000113.2D35 S40D35-G38 PolarHBondContact O-N 3.43Å; D35-G38 VanDerWaalsContact O-N 3.08Å; D35-G38 PolarHBondContact OD1-N 3.23Å; G38-S40 PolarHBondContact O-N 3.33Å
39T95.3Very high93.6Very high12 Ų1239.5 Ų39.57%0.07421%0.213CC..  trans-73.7119.9177.7-40.20000109.6T34 D35 L37 H43 L44 M77T34-T39 CarbonylContact C-O 3.58Å; T34-T39 WeakPolarHBondContact CA-O 3.37Å; D35-T39 VanDerWaalsContact CG-OG1 3.3Å; D35-T39 PolarHBondContact N-O 2.87Å; D35-T39 WeakPolarHBondContact OD1-CA 3.41Å; D35-T39 VanDerWaalsContact OD1-CB 3.23Å; D35-T39 WeakPolarHBondContact OD1-CB 3.44Å; D35-T39 PolarHBondContact OD1-N 3.33Å; D35-T39 PolarHBondContact OD1-OG1 3.43Å; D35-T39 VanDerWaalsContact OD2-CB 3.24Å; D35-T39 WeakPolarHBondContact OD2-CB 3.38Å; D35-T39 PolarHBondContact OD2-OG1 3.44Å; L37-T39 VanDerWaalsContact C-N 3.31Å; T39-H43 HydrophobicContact CG2-CB 3.47Å; T39-H43 VanDerWaalsContact CG2-CB 3.47Å; T39-L44 HydrophobicContact CG2-CD2 3.86Å; T39-L44 HydrophobicContact CG2-CG 3.87Å; T39-M77 HydrophobicContact CG2-CE 4.43Å
40S95.8Very high94Very high5 Ų539.8 Ų39.84%0.03520%0.201CC..  trans-87166.5174.8770000111.5G38 L42 H43 L44G38-S40 PolarHBondContact O-N 3.33Å; S40-L42 PolarHBondContact O-N 3.02Å; S40-L42 PolarHBondContact OG-N 3.49Å; S40-H43 PolarHBondContact N-ND1 3.1Å; S40-H43 VanDerWaalsContact N-ND1 3.15Å; S40-H43 WeakPolarHBondContact O-CB 3.49Å; S40-H43 PolarHBondContact O-N 3.43Å; S40-H43 PolarHBondContact OG-N 3.02Å; S40-H43 PolarHBondContact OG-ND1 3.44Å; S40-L44 PolarHBondContact O-N 3.37Å
41P96.1Very high94.3Very high0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-55.8-34.5173.6-24.834.2000112.5L10 L11 A14 L44 A45 L57L10-P41 HydrophobicContact CD2-CG 3.97Å; L10-P41 HydrophobicContact CG-CB 4.36Å; L10-P41 HydrophobicContact CG-CG 4.01Å; L11-P41 HydrophobicContact CD2-CB 4.4Å; L11-P41 HydrophobicContact CD2-CG 3.78Å; L11-P41 HydrophobicContact CG-CG 4.4Å; A14-P41 HydrophobicContact CB-CB 3.74Å; A14-P41 WeakPolarHBondContact CB-O 3.48Å; P41-L44 PolarHBondContact O-N 3.3Å; P41-A45 PolarHBondContact O-N 3.22Å; P41-L57 HydrophobicContact CB-CD1 3.95Å; P41-L57 HydrophobicContact CB-CD2 4.05Å
42L97.2Very high94.7Very high0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-68.8-34.4178.5-174.463.9000112.5S40 A46 T54 L57 L58 V62 R64 P74 L90S40-L42 PolarHBondContact O-N 3.02Å; S40-L42 PolarHBondContact OG-N 3.49Å; L42-A46 WeakPolarHBondContact O-CB 3.19Å; L42-A46 PolarHBondContact O-N 3.03Å; L42-T54 HydrophobicContact CD1-CG2 3.67Å; L42-L57 HydrophobicContact CB-CD1 4.43Å; L42-L57 HydrophobicContact CD1-CB 4.14Å; L42-L57 HydrophobicContact CD1-CD1 4.47Å; L42-L58 HydrophobicContact CD1-CD2 4.2Å; L42-L58 HydrophobicContact CD1-CG 4.03Å; L42-L58 HydrophobicContact CD2-CD2 3.64Å; L42-L58 HydrophobicContact CD2-CG 4.37Å; L42-V62 HydrophobicContact CB-CG1 3.87Å; L42-V62 HydrophobicContact CD2-CG1 4.32Å; L42-R64 HydrophobicContact CD2-CB 4.33Å; L42-R64 HydrophobicContact CD2-CG 4.41Å; L42-P74 HydrophobicContact CB-CG 4.29Å; L42-P74 HydrophobicContact CD2-CB 4.29Å; L42-P74 HydrophobicContact CD2-CG 3.89Å; L42-P74 HydrophobicContact CG-CB 3.98Å; L42-P74 HydrophobicContact CG-CG 3.86Å; L42-L90 HydrophobicContact CD1-CD2 4.37Å; L42-L90 HydrophobicContact CD2-CD2 4.31Å; L42-L90 HydrophobicContact CG-CD2 4.49Å
43H97.6Very high95.1Very high0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-61.7-45.1172.4-74.494.2000111.4T39 S40 A46 Q47 A66 R72 P74 M77T39-H43 HydrophobicContact CG2-CB 3.47Å; T39-H43 VanDerWaalsContact CG2-CB 3.47Å; S40-H43 PolarHBondContact N-ND1 3.1Å; S40-H43 VanDerWaalsContact N-ND1 3.15Å; S40-H43 WeakPolarHBondContact O-CB 3.49Å; S40-H43 PolarHBondContact O-N 3.43Å; S40-H43 PolarHBondContact OG-N 3.02Å; S40-H43 PolarHBondContact OG-ND1 3.44Å; H43-A46 PolarHBondContact O-N 3.49Å; H43-Q47 WeakPolarHBondContact O-CB 3.5Å; H43-Q47 PolarHBondContact O-N 3.31Å; H43-A66 PolarHBondContact CE1-O 3.27Å; H43-A66 PolarHBondContact NE2-O 2.96Å; H43-R72 PolarHBondContact NE2-O 3.47Å; H43-R72 VanDerWaalsContact NE2-O 3.07Å; H43-P74 WeakPolarHBondContact NE2-CD 3.38Å; H43-M77 HydrophobicContact CB-CE 4.23Å; H43-M77 HydrophobicContact CB-SD 3.65Å
44L96.8Very high95.5Very high4 Ų439.1 Ų39.12%0.02120%0.196CC..Hα-helixtrans-66.1-47.5179.9-64.4169.4000111L11 R15 T39 S40 P41 A46 Q47 Y48L11-L44 HydrophobicContact CB-CD1 4Å; L11-L44 HydrophobicContact CD2-CD1 3.79Å; L11-L44 VanDerWaalsContact O-CD1 3.32Å; L11-L44 WeakPolarHBondContact O-CD1 3.28Å; R15-L44 HydrophobicContact CB-CB 4.29Å; R15-L44 HydrophobicContact CB-CD1 4.27Å; T39-L44 HydrophobicContact CG2-CD2 3.86Å; T39-L44 HydrophobicContact CG2-CG 3.87Å; S40-L44 PolarHBondContact O-N 3.37Å; P41-L44 PolarHBondContact O-N 3.3Å; L44-A46 VanDerWaalsContact C-N 3.26Å; L44-A46 PolarHBondContact O-N 2.95Å; L44-Q47 PolarHBondContact O-N 3.48Å; L44-Y48 HydrophobicContact CD2-CE2 4.27Å; L44-Y48 VanDerWaalsContact O-CD2 3.23Å; L44-Y48 WeakPolarHBondContact O-CD2 3.31Å; L44-Y48 PolarHBondContact O-N 3.21Å
45A97.3Very high95.8Very high0 Ų037.8 Ų37.80%018%0.184CC..Hα-helixtrans-58.5-40.8176.400000111.8P41 G49 H50 T53 L57P41-A45 PolarHBondContact O-N 3.22Å; A45-G49 PolarHBondContact O-N 3.02Å; A45-H50 HydrophobicContact CB-CB 4.43Å; A45-H50 PolarHBondContact O-N 3.3Å; A45-T53 HydrophobicContact CB-CG2 3.89Å; A45-L57 HydrophobicContact CB-CD1 4.02Å
46A97.6Very high96.1Very high0 Ų036.6 Ų36.60%018%0.178CC..Hα-helixtrans-68.7-39.517800000113.4L42 H43 L44 P74 A78 H83 I86 L90L42-A46 WeakPolarHBondContact O-CB 3.19Å; L42-A46 PolarHBondContact O-N 3.03Å; H43-A46 PolarHBondContact O-N 3.49Å; L44-A46 VanDerWaalsContact C-N 3.26Å; L44-A46 PolarHBondContact O-N 2.95Å; A46-P74 HydrophobicContact CB-CB 3.99Å; A46-P74 WeakPolarHBondContact CB-O 3.29Å; A46-A78 HydrophobicContact CB-CB 4.21Å; A46-H83 PolarHBondContact O-CD2 3.46Å; A46-I86 HydrophobicContact CB-CG2 3.96Å; A46-L90 HydrophobicContact CB-CD1 4.42Å
47Q97.3Very high96.4Very high54 Ų5427.4 Ų27.425%0.25214%0.144SC..Hα-helixtrans-66.4-40.8177.9-176.9172.140.700112.3H43 L44 M77 E81 H83H43-Q47 WeakPolarHBondContact O-CB 3.5Å; H43-Q47 PolarHBondContact O-N 3.31Å; L44-Q47 PolarHBondContact O-N 3.48Å; Q47-M77 HydrophobicContact CB-CB 4.09Å; Q47-M77 HydrophobicContact CB-SD 4.09Å; Q47-E81 HydrophobicContact CG-CG 4.1Å; Q47-E81 WeakPolarHBondContact O-CG 3.49Å; Q47-H83 PolarHBondContact O-CD2 3.14Å; Q47-H83 PolarHBondContact O-NE2 3.41Å
48Y97.1Very high96.6Very high110 Ų11024.7 Ų24.743%0.43113%0.129SC..THydrogen-bonded Turntrans-92.43.8-174-70.6-71.3000114.6R15 L44 H50R15-Y48 HydrophobicContact CB-CE2 4.42Å; R15-Y48 HydrophobicContact CG-CD2 4Å; R15-Y48 HydrophobicContact CG-CE2 3.61Å; L44-Y48 HydrophobicContact CD2-CE2 4.27Å; L44-Y48 VanDerWaalsContact O-CD2 3.23Å; L44-Y48 WeakPolarHBondContact O-CD2 3.31Å; L44-Y48 PolarHBondContact O-N 3.21Å; Y48-H50 WeakPolarHBondContact CB-NE2 3.34Å
49G96.4Very high96.7Very high29 Ų2932.8 Ų32.830%0.29916%0.156SC..THydrogen-bonded Turntrans80.817.9175.100000114.6A45 Y51 H83 I86A45-G49 PolarHBondContact O-N 3.02Å; G49-Y51 PolarHBondContact O-N 2.96Å; G49-H83 PolarHBondContact N-CD2 3.32Å; G49-H83 PolarHBondContact N-NE2 2.99Å; G49-I86 VanDerWaalsContact CA-CD1 3.41Å
50H97.7Very high96.5Very high50 Ų5034.3 Ų34.323%0.23117%0.169CC..  trans-83.484.1-178.4-59.4-49.7000112.3A14 R15 G17 A45 Y48 T53 T54A14-H50 PolarHBondContact O-CD2 3.04Å; R15-H50 PolarHBondContact O-CD2 3.48Å; R15-H50 PolarHBondContact O-NE2 3.35Å; G17-H50 WeakPolarHBondContact CA-CD2 3.42Å; G17-H50 PolarHBondContact N-CD2 3.37Å; G17-H50 PolarHBondContact N-NE2 3.38Å; A45-H50 HydrophobicContact CB-CB 4.43Å; A45-H50 PolarHBondContact O-N 3.3Å; Y48-H50 WeakPolarHBondContact CB-NE2 3.34Å; H50-T53 PolarHBondContact O-N 3.35Å; H50-T54 WeakPolarHBondContact O-CB 3.48Å; H50-T54 PolarHBondContact O-N 3.39Å; H50-T54 PolarHBondContact O-OG1 3.44Å
51Y97.1Very high96.3Very high98 Ų9836.8 Ų36.838%0.38420%0.196SC..Hα-helixtrans-54-57.4-179.6178-85.8000113.1G49 T53 T54 E55 V89G49-Y51 PolarHBondContact O-N 2.96Å; Y51-T53 VanDerWaalsContact C-N 3.27Å; Y51-T53 PolarHBondContact O-N 3.43Å; Y51-T54 WeakPolarHBondContact O-CB 3.37Å; Y51-T54 PolarHBondContact O-N 3.44Å; Y51-T54 VanDerWaalsContact O-N 3.07Å; Y51-E55 PolarHBondContact O-N 2.89Å; Y51-V89 HydrophobicContact CD2-CG2 4.13Å; Y51-V89 HydrophobicContact CE2-CB 4.4Å; Y51-V89 HydrophobicContact CE2-CG2 3.25Å
52S97.1Very high96.2Very high65 Ų6537.3 Ų37.346%0.45520%0.199SC..Hα-helixtrans-59.1-41.3-175.3-53.60000111.8E55 V56S52-E55 PolarHBondContact O-N 3.48Å; S52-V56 WeakPolarHBondContact O-CG2 3.3Å; S52-V56 PolarHBondContact O-N 3.47Å
53T96.7Very high96Very high2 Ų241 Ų411%0.01222%0.224CC..Hα-helixtrans-66-42.8177-57.80000111.9A14 V22 A45 H50 Y51 E55 V56 L57A14-T53 HydrophobicContact CB-CG2 4.27Å; V22-T53 HydrophobicContact CG1-CG2 4.48Å; V22-T53 HydrophobicContact CG2-CG2 4.01Å; A45-T53 HydrophobicContact CB-CG2 3.89Å; H50-T53 PolarHBondContact O-N 3.35Å; Y51-T53 VanDerWaalsContact C-N 3.27Å; Y51-T53 PolarHBondContact O-N 3.43Å; T53-E55 VanDerWaalsContact C-N 3.32Å; T53-E55 PolarHBondContact O-N 3.17Å; T53-V56 PolarHBondContact O-N 2.92Å; T53-L57 HydrophobicContact CG2-CD1 3.97Å; T53-L57 HydrophobicContact CG2-CG 4.45Å; T53-L57 WeakPolarHBondContact O-CB 3.49Å; T53-L57 VanDerWaalsContact O-CG 3.25Å; T53-L57 WeakPolarHBondContact O-CG 3.16Å; T53-L57 PolarHBondContact O-N 3.29Å
54T97.5Very high95.9Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-57.8-46.8175.2-60.50000110.5L42 H50 Y51 V56 L57 L58 I86 L90L42-T54 HydrophobicContact CD1-CG2 3.67Å; H50-T54 WeakPolarHBondContact O-CB 3.48Å; H50-T54 PolarHBondContact O-N 3.39Å; H50-T54 PolarHBondContact O-OG1 3.44Å; Y51-T54 WeakPolarHBondContact O-CB 3.37Å; Y51-T54 PolarHBondContact O-N 3.44Å; Y51-T54 VanDerWaalsContact O-N 3.07Å; T54-V56 PolarHBondContact O-N 3.28Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-L58 HydrophobicContact CG2-CD1 3.97Å; T54-L58 VanDerWaalsContact O-CG 3.3Å; T54-L58 WeakPolarHBondContact O-CG 3.48Å; T54-L58 PolarHBondContact O-N 3.14Å; T54-I86 HydrophobicContact CG2-CG2 4.11Å; T54-L90 HydrophobicContact CG2-CD2 4.26Å
55E96.8Very high95.8Very high49 Ų4944.8 Ų44.823%0.22924%0.243CC..Hα-helixtrans-62.8-44.2179.5-169-178.5179.600112.2Y51 S52 T53 L57 L58 R59Y51-E55 PolarHBondContact O-N 2.89Å; S52-E55 PolarHBondContact O-N 3.48Å; T53-E55 VanDerWaalsContact C-N 3.32Å; T53-E55 PolarHBondContact O-N 3.17Å; E55-L57 PolarHBondContact O-N 2.94Å; E55-L58 PolarHBondContact O-N 3.43Å; E55-R59 WeakPolarHBondContact O-CB 3.43Å; E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.41Å; E55-R59 PolarHBondContact O-N 3.28Å; E55-R59 IonicContact OE1-CZ 3.3Å; E55-R59 IonicContact OE1-NE 2.77Å; E55-R59 PolarHBondContact OE1-NE 3.36Å; E55-R59 VanDerWaalsContact OE1-NE 3.08Å; E55-R59 IonicContact OE1-NH2 2.87Å; E55-R59 PolarHBondContact OE1-NH2 3.07Å
56V96.1Very high95.7Very high11 Ų1145.7 Ų45.77%0.06725%0.25CC..Hα-helixtrans-59.7-45.9176.4169.70000111.4V22 R23 M26 S52 T53 T54 R59 A60V22-V56 HydrophobicContact CG1-CG1 4.08Å; R23-V56 HydrophobicContact CG-CG1 3.84Å; R23-V56 HydrophobicContact CG-CG2 4.36Å; R23-V56 VanDerWaalsContact CZ-CG2 3.46Å; R23-V56 VanDerWaalsContact NH2-CG2 3.28Å; M26-V56 HydrophobicContact CE-CG1 4.22Å; M26-V56 HydrophobicContact SD-CG1 4.19Å; S52-V56 WeakPolarHBondContact O-CG2 3.3Å; S52-V56 PolarHBondContact O-N 3.47Å; T53-V56 PolarHBondContact O-N 2.92Å; T54-V56 PolarHBondContact O-N 3.28Å; V56-R59 PolarHBondContact O-N 3.29Å; V56-A60 WeakPolarHBondContact O-CB 3.46Å; V56-A60 PolarHBondContact O-N 3.26Å; V56-A60 VanDerWaalsContact O-N 3.11Å
57L95.8Very high95.6Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-65.1-41.9-179.5-70169.9000111.8A14 V22 M26 P41 L42 A45 T53 T54 E55 A60 G61 V62A14-L57 HydrophobicContact CB-CD1 4.3Å; V22-L57 HydrophobicContact CG1-CD2 3.87Å; V22-L57 HydrophobicContact CG1-CG 4.25Å; M26-L57 HydrophobicContact SD-CD2 3.94Å; P41-L57 HydrophobicContact CB-CD1 3.95Å; P41-L57 HydrophobicContact CB-CD2 4.05Å; L42-L57 HydrophobicContact CB-CD1 4.43Å; L42-L57 HydrophobicContact CD1-CB 4.14Å; L42-L57 HydrophobicContact CD1-CD1 4.47Å; A45-L57 HydrophobicContact CB-CD1 4.02Å; T53-L57 HydrophobicContact CG2-CD1 3.97Å; T53-L57 HydrophobicContact CG2-CG 4.45Å; T53-L57 WeakPolarHBondContact O-CB 3.49Å; T53-L57 VanDerWaalsContact O-CG 3.25Å; T53-L57 WeakPolarHBondContact O-CG 3.16Å; T53-L57 PolarHBondContact O-N 3.29Å; T54-L57 PolarHBondContact O-N 3.4Å; E55-L57 PolarHBondContact O-N 2.94Å; L57-A60 PolarHBondContact O-N 3.13Å; L57-G61 PolarHBondContact O-N 3.44Å; L57-V62 HydrophobicContact CB-CB 4.39Å; L57-V62 HydrophobicContact CB-CG2 4.07Å; L57-V62 HydrophobicContact CD2-CG2 4.05Å; L57-V62 WeakPolarHBondContact O-CB 3.39Å; L57-V62 VanDerWaalsContact O-CG2 3.3Å; L57-V62 WeakPolarHBondContact O-CG2 3.38Å; L57-V62 PolarHBondContact O-N 3.35Å; L57-V62 VanDerWaalsContact O-N 3.16Å
58L96.1Very high95.6Very high15 Ų1549.6 Ų49.68%0.07926%0.263CS..Hα-helixtrans-64.8-43.9176.5-71.5171.1000112.2L42 T54 E55 A60 G61 R64 V89 L90L42-L58 HydrophobicContact CD1-CD2 4.2Å; L42-L58 HydrophobicContact CD1-CG 4.03Å; L42-L58 HydrophobicContact CD2-CD2 3.64Å; L42-L58 HydrophobicContact CD2-CG 4.37Å; T54-L58 HydrophobicContact CG2-CD1 3.97Å; T54-L58 VanDerWaalsContact O-CG 3.3Å; T54-L58 WeakPolarHBondContact O-CG 3.48Å; T54-L58 PolarHBondContact O-N 3.14Å; E55-L58 PolarHBondContact O-N 3.43Å; L58-A60 PolarHBondContact O-N 3.02Å; L58-G61 PolarHBondContact O-N 3.36Å; L58-R64 HydrophobicContact CD2-CB 3.79Å; L58-R64 HydrophobicContact CD2-CG 3.99Å; L58-V89 HydrophobicContact CD1-CG1 3.6Å; L58-L90 HydrophobicContact CD1-CD2 4.13Å; L58-L90 HydrophobicContact CD2-CD2 4.28Å
59R94.7Very high95.5Very high185 Ų18551.2 Ų51.270%0.69827%0.272SS*.Hα-helixtrans-62.5-27.8176.9-74.5176.8179.2-1355.3112.6E55 V56 G61E55-R59 WeakPolarHBondContact O-CB 3.43Å; E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.41Å; E55-R59 PolarHBondContact O-N 3.28Å; E55-R59 IonicContact OE1-CZ 3.3Å; E55-R59 IonicContact OE1-NE 2.77Å; E55-R59 PolarHBondContact OE1-NE 3.36Å; E55-R59 VanDerWaalsContact OE1-NE 3.08Å; E55-R59 IonicContact OE1-NH2 2.87Å; E55-R59 PolarHBondContact OE1-NH2 3.07Å; V56-R59 PolarHBondContact O-N 3.29Å; R59-G61 VanDerWaalsContact C-N 3.28Å
60A92.4Very high95.5Very high43 Ų4352.7 Ų52.736%0.35528%0.276SS..THydrogen-bonded Turntrans-85.94.4176.700000114.9M26 F32 V56 L57 L58M26-A60 HydrophobicContact CE-CB 2.92Å; F32-A60 HydrophobicContact CZ-CB 4.12Å; V56-A60 WeakPolarHBondContact O-CB 3.46Å; V56-A60 PolarHBondContact O-N 3.26Å; V56-A60 VanDerWaalsContact O-N 3.11Å; L57-A60 PolarHBondContact O-N 3.13Å; L58-A60 PolarHBondContact O-N 3.02Å
61G90.6Very high95.5Very high58 Ų5853.6 Ų53.660%0.59828%0.282SS*.THydrogen-bonded Turntrans81.621.8174.700000114.3L57 L58 R59 S63L57-G61 PolarHBondContact O-N 3.44Å; L58-G61 PolarHBondContact O-N 3.36Å; R59-G61 VanDerWaalsContact C-N 3.28Å; G61-S63 PolarHBondContact O-N 3.05Å
62V93.4Very high95.5Very high11 Ų1152.6 Ų52.67%0.06728%0.278CS..  trans-61.6131.9166.2-179.80000108.5F32 L42 L57 R64F32-V62 HydrophobicContact CD1-CG2 3.56Å; F32-V62 HydrophobicContact CD2-CG2 4.03Å; F32-V62 HydrophobicContact CE1-CG2 3.58Å; F32-V62 HydrophobicContact CE2-CG2 4.05Å; F32-V62 HydrophobicContact CG-CG2 3.8Å; F32-V62 HydrophobicContact CZ-CG2 3.83Å; L42-V62 HydrophobicContact CB-CG1 3.87Å; L42-V62 HydrophobicContact CD2-CG1 4.32Å; L57-V62 HydrophobicContact CB-CB 4.39Å; L57-V62 HydrophobicContact CB-CG2 4.07Å; L57-V62 HydrophobicContact CD2-CG2 4.05Å; L57-V62 WeakPolarHBondContact O-CB 3.39Å; L57-V62 VanDerWaalsContact O-CG2 3.3Å; L57-V62 WeakPolarHBondContact O-CG2 3.38Å; L57-V62 PolarHBondContact O-N 3.35Å; L57-V62 VanDerWaalsContact O-N 3.16Å; V62-R64 PolarHBondContact O-N 3.4Å; V62-R64 VanDerWaalsContact O-N 3.11Å
63S94.3Very high95.5Very high76 Ų7649.5 Ų49.553%0.53126%0.256SS..  trans-57.9119.2179.2179.30000110.4G61 A66G61-S63 PolarHBondContact O-N 3.05Å; S63-A66 WeakPolarHBondContact O-CB 3.29Å; S63-A66 PolarHBondContact O-N 3.5Å; S63-A66 PolarHBondContact OG-N 2.97Å
64R94.6Very high95.6Very high30 Ų3049.4 Ų49.411%0.11326%0.256CS..THydrogen-bonded Turntrans-73.6-31.7178.1-177.5159.154.6-129.5-35.3113.2L42 L58 V62 A66 P74 L90 H93 G94 A95L42-R64 HydrophobicContact CD2-CB 4.33Å; L42-R64 HydrophobicContact CD2-CG 4.41Å; L58-R64 HydrophobicContact CD2-CB 3.79Å; L58-R64 HydrophobicContact CD2-CG 3.99Å; V62-R64 PolarHBondContact O-N 3.4Å; V62-R64 VanDerWaalsContact O-N 3.11Å; R64-A66 PolarHBondContact O-N 2.89Å; R64-P74 WeakPolarHBondContact O-CD 3.38Å; R64-P74 WeakPolarHBondContact O-CG 3.29Å; R64-L90 VanDerWaalsContact CD-CD2 3.43Å; R64-L90 WeakPolarHBondContact CD-O 3.42Å; R64-L90 HydrophobicContact CG-CD2 3.7Å; R64-L90 PolarHBondContact NE-O 3.09Å; R64-L90 PolarHBondContact NH1-O 2.99Å; R64-H93 VanDerWaalsContact NH1-C 3.29Å; R64-H93 PolarHBondContact NH2-O 3.18Å; R64-G94 PolarHBondContact NH2-O 3.24Å; R64-A95 HydrophobicContact CG-CB 3.9Å
65D95Very high95.6Very high55 Ų5549.5 Ų49.529%0.29426%0.256SS..THydrogen-bonded Turntrans-95.826176.8-53-54.2000111.4R67 D96D65-R67 PolarHBondContact O-N 3.25Å; D65-D96 PolarHBondContact OD1-N 2.98Å
66A95.4Very high95.7Very high18 Ų1847.3 Ų47.315%0.14925%0.246CC..  trans-53.6136.6170.500000109.3H43 S63 R64 T73 P74H43-A66 PolarHBondContact CE1-O 3.27Å; H43-A66 PolarHBondContact NE2-O 2.96Å; S63-A66 WeakPolarHBondContact O-CB 3.29Å; S63-A66 PolarHBondContact O-N 3.5Å; S63-A66 PolarHBondContact OG-N 2.97Å; R64-A66 PolarHBondContact O-N 2.89Å; A66-T73 WeakPolarHBondContact O-CA 3.26Å; A66-P74 WeakPolarHBondContact O-CD 3.48Å
67R96.3Very high95.8Very high127 Ų12747.7 Ų47.748%0.47925%0.247SC..  trans-112.6132.2-179.2-71.9-171.5174.893.13.5110.6D65 R72 T73D65-R67 PolarHBondContact O-N 3.25Å; R67-R72 WeakPolarHBondContact CA-O 3.43Å; R67-T73 HydrophobicContact CG-CG2 4.22Å
68T96.7Very high95.9Very high9 Ų947.7 Ų47.76%0.05525%0.247CC..  trans-71.5176.4166.361.40000111.1V70 D71 R72 M77T68-V70 PolarHBondContact O-N 2.93Å; T68-V70 VanDerWaalsContact O-N 3.09Å; T68-V70 WeakPolarHBondContact OG1-CG2 3.4Å; T68-D71 PolarHBondContact O-N 3.44Å; T68-R72 PolarHBondContact N-O 3.46Å; T68-R72 WeakPolarHBondContact OG1-CB 3.28Å; T68-R72 PolarHBondContact OG1-N 2.96Å; T68-R72 PolarHBondContact OG1-O 2.91Å; T68-M77 HydrophobicContact CG2-CE 4.03Å
69K95.8Very high96Very high144 Ų14447 Ų4763%0.62624%0.244SC*.THydrogen-bonded Turntrans-59.9-17.3174.3-76.8-177.5174.3175.30115W36 L37W36-K69 WeakPolarHBondContact O-CE 3.38Å; W36-K69 PolarHBondContact O-NZ 3.5Å; L37-K69 WeakPolarHBondContact O-CB 3.49Å; L37-K69 WeakPolarHBondContact O-CG 3.41Å; L37-K69 PolarHBondContact O-N 3.33Å
70V95.6Very high96.1Very high60 Ų6038.7 Ų38.736%0.36421%0.214SC..THydrogen-bonded Turntrans-106.218.6176.2-65.80000111.9T68 R72 M102T68-V70 PolarHBondContact O-N 2.93Å; T68-V70 VanDerWaalsContact O-N 3.09Å; T68-V70 WeakPolarHBondContact OG1-CG2 3.4Å; V70-R72 HydrophobicContact CG2-CB 4.3Å; V70-R72 HydrophobicContact CG2-CG 3.87Å; V70-R72 PolarHBondContact O-N 3.45Å; V70-R72 VanDerWaalsContact O-N 3.08Å; V70-M102 HydrophobicContact CB-CE 4.43Å; V70-M102 HydrophobicContact CG1-CE 3.99Å; V70-M102 WeakPolarHBondContact O-CB 3.46Å; V70-M102 PolarHBondContact O-N 3.23Å
71D96.6Very high96.4Very high70 Ų7041.1 Ų41.137%0.37422%0.218SC..  trans59.414.1-179-65.2-37000115.6T68T68-D71 PolarHBondContact O-N 3.44Å
72R97.4Very high96.7Very high76 Ų7639.4 Ų39.429%0.28720%0.2SC..  trans-69.6137170.5-69.1179.8-173.1-169.13.8109.9H43 R67 T68 V70 H76 D101H43-R72 PolarHBondContact NE2-O 3.47Å; H43-R72 VanDerWaalsContact NE2-O 3.07Å; R67-R72 WeakPolarHBondContact CA-O 3.43Å; T68-R72 PolarHBondContact N-O 3.46Å; T68-R72 WeakPolarHBondContact OG1-CB 3.28Å; T68-R72 PolarHBondContact OG1-N 2.96Å; T68-R72 PolarHBondContact OG1-O 2.91Å; V70-R72 HydrophobicContact CG2-CB 4.3Å; V70-R72 HydrophobicContact CG2-CG 3.87Å; V70-R72 PolarHBondContact O-N 3.45Å; V70-R72 VanDerWaalsContact O-N 3.08Å; R72-H76 HydrophobicContact CB-CB 4.2Å; R72-H76 HydrophobicContact CG-CB 4.35Å; R72-D101 HydrophobicContact CG-CB 4.06Å
73T98Very high96.9Very high1 Ų141.4 Ų41.41%0.00621%0.209CC..  trans-99166.8171.570.30000110.4A66 R67 L75 H76 M77 A99A66-T73 WeakPolarHBondContact O-CA 3.26Å; R67-T73 HydrophobicContact CG-CG2 4.22Å; T73-L75 PolarHBondContact O-N 3.18Å; T73-L75 PolarHBondContact OG1-N 3.48Å; T73-H76 PolarHBondContact N-ND1 3.37Å; T73-H76 VanDerWaalsContact N-ND1 3.16Å; T73-H76 WeakPolarHBondContact O-CB 3.39Å; T73-H76 PolarHBondContact O-N 3.38Å; T73-H76 PolarHBondContact OG1-ND1 2.96Å; T73-M77 PolarHBondContact O-N 3.22Å; T73-A99 HydrophobicContact CG2-CB 4.03Å
74P97.9Very high97.1Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-54.1-33.7171.5-25.735.2000113L42 H43 A46 R64 A66 H76 M77 A78 L90L42-P74 HydrophobicContact CB-CG 4.29Å; L42-P74 HydrophobicContact CD2-CB 4.29Å; L42-P74 HydrophobicContact CD2-CG 3.89Å; L42-P74 HydrophobicContact CG-CB 3.98Å; L42-P74 HydrophobicContact CG-CG 3.86Å; H43-P74 WeakPolarHBondContact NE2-CD 3.38Å; A46-P74 HydrophobicContact CB-CB 3.99Å; A46-P74 WeakPolarHBondContact CB-O 3.29Å; R64-P74 WeakPolarHBondContact O-CD 3.38Å; R64-P74 WeakPolarHBondContact O-CG 3.29Å; A66-P74 WeakPolarHBondContact O-CD 3.48Å; P74-H76 PolarHBondContact O-N 3.43Å; P74-M77 PolarHBondContact O-N 3.07Å; P74-A78 PolarHBondContact O-N 2.99Å; P74-L90 HydrophobicContact CB-CD1 4.22Å; P74-L90 HydrophobicContact CB-CD2 4.24Å
75L98.4Very high97.3Very high2 Ų240.3 Ų40.31%0.0121%0.206CC..Hα-helixtrans-63.3-39.4176.3-171.567000112.1T73 M77 A79 V87 L90 L91 A95 A107 L123T73-L75 PolarHBondContact O-N 3.18Å; T73-L75 PolarHBondContact OG1-N 3.48Å; L75-M77 VanDerWaalsContact C-N 3.33Å; L75-M77 PolarHBondContact O-N 3.33Å; L75-A79 WeakPolarHBondContact O-CB 3.45Å; L75-A79 PolarHBondContact O-N 2.95Å; L75-V87 HydrophobicContact CD1-CB 4.38Å; L75-V87 HydrophobicContact CD1-CG1 3.93Å; L75-V87 HydrophobicContact CD1-CG2 4.39Å; L75-L90 HydrophobicContact CB-CD1 4.36Å; L75-L90 HydrophobicContact CD1-CB 4.08Å; L75-L90 HydrophobicContact CD1-CD1 4.18Å; L75-L91 HydrophobicContact CD1-CD2 4.29Å; L75-L91 HydrophobicContact CD1-CG 4.15Å; L75-L91 HydrophobicContact CD2-CD2 4Å; L75-A95 HydrophobicContact CD2-CB 4.27Å; L75-A107 HydrophobicContact CD2-CB 4.02Å; L75-A107 HydrophobicContact CG-CB 3.84Å; L75-L123 HydrophobicContact CD1-CD2 4.45Å; L75-L123 HydrophobicContact CD2-CD2 4.37Å
76H98.4Very high97.4Very high2 Ų237.8 Ų37.81%0.00919%0.193CC..Hα-helixtrans-62.5-41.2174.5-67.484.7000111.6R72 T73 P74 A79 S80 A99 M105 W110R72-H76 HydrophobicContact CB-CB 4.2Å; R72-H76 HydrophobicContact CG-CB 4.35Å; T73-H76 PolarHBondContact N-ND1 3.37Å; T73-H76 VanDerWaalsContact N-ND1 3.16Å; T73-H76 WeakPolarHBondContact O-CB 3.39Å; T73-H76 PolarHBondContact O-N 3.38Å; T73-H76 PolarHBondContact OG1-ND1 2.96Å; P74-H76 PolarHBondContact O-N 3.43Å; H76-A79 PolarHBondContact O-N 3.5Å; H76-S80 VanDerWaalsContact O-CB 3.32Å; H76-S80 WeakPolarHBondContact O-CB 3.44Å; H76-S80 PolarHBondContact O-N 3.34Å; H76-A99 PolarHBondContact CE1-O 3.26Å; H76-A99 VanDerWaalsContact CE1-O 3.25Å; H76-A99 PolarHBondContact NE2-O 3.1Å; H76-A99 VanDerWaalsContact NE2-O 3.16Å; H76-M105 PolarHBondContact NE2-O 2.9Å; H76-W110 AromaticContact CD2-CD1 3.57Å; H76-W110 AromaticContact CD2-NE1 3.78Å
77M97.8Very high97.6Very high20 Ų2037 Ų3710%0.09919%0.186CC..Hα-helixtrans-68.4-46.5179.6-65.9-164.8173.300111.7T39 H43 Q47 T68 T73 P74 L75 A79 S80 E81T39-M77 HydrophobicContact CG2-CE 4.43Å; H43-M77 HydrophobicContact CB-CE 4.23Å; H43-M77 HydrophobicContact CB-SD 3.65Å; Q47-M77 HydrophobicContact CB-CB 4.09Å; Q47-M77 HydrophobicContact CB-SD 4.09Å; T68-M77 HydrophobicContact CG2-CE 4.03Å; T73-M77 PolarHBondContact O-N 3.22Å; P74-M77 PolarHBondContact O-N 3.07Å; L75-M77 VanDerWaalsContact C-N 3.33Å; L75-M77 PolarHBondContact O-N 3.33Å; M77-A79 VanDerWaalsContact C-N 3.28Å; M77-A79 PolarHBondContact O-N 3.07Å; M77-S80 PolarHBondContact O-N 2.63Å; M77-E81 VanDerWaalsContact O-CG 3.31Å; M77-E81 WeakPolarHBondContact O-CG 3.46Å; M77-E81 PolarHBondContact O-N 2.99Å
78A98.2Very high97.6Very high0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-60-40.6175.600000111.8A46 P74 E81 G82 H83 I86 V87 L90A46-A78 HydrophobicContact CB-CB 4.21Å; P74-A78 PolarHBondContact O-N 2.99Å; A78-E81 PolarHBondContact O-N 2.76Å; A78-G82 PolarHBondContact O-N 3.45Å; A78-G82 VanDerWaalsContact O-N 3.08Å; A78-H83 PolarHBondContact O-N 3.31Å; A78-I86 HydrophobicContact CB-CB 4.18Å; A78-I86 HydrophobicContact CB-CG2 3.63Å; A78-V87 HydrophobicContact CB-CG2 3.68Å; A78-L90 HydrophobicContact CB-CD1 4.08Å
79A98.2Very high97.7Very high0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-70.8-38.6-179.600000113.3L75 H76 M77 E81 G82 V87 A107 A111 H116 V119 L123L75-A79 WeakPolarHBondContact O-CB 3.45Å; L75-A79 PolarHBondContact O-N 2.95Å; H76-A79 PolarHBondContact O-N 3.5Å; M77-A79 VanDerWaalsContact C-N 3.28Å; M77-A79 PolarHBondContact O-N 3.07Å; A79-E81 VanDerWaalsContact C-N 3.27Å; A79-E81 PolarHBondContact O-N 3.21Å; A79-G82 PolarHBondContact O-N 3.5Å; A79-V87 HydrophobicContact CB-CG2 4.46Å; A79-A107 HydrophobicContact CB-CB 3.87Å; A79-A107 WeakPolarHBondContact CB-O 3.37Å; A79-A111 HydrophobicContact CB-CB 4.3Å; A79-A111 WeakPolarHBondContact O-CA 3.35Å; A79-H116 PolarHBondContact O-CD2 3.49Å; A79-H116 VanDerWaalsContact O-CD2 3.23Å; A79-V119 HydrophobicContact CB-CG1 3.94Å; A79-L123 HydrophobicContact CB-CD1 4.4Å
80S97.8Very high97.8Very high11 Ų1126.7 Ų26.78%0.07715%0.145CC..Hα-helixtrans-65.2-31.2176.4-170.70000112.8H76 M77 H114 H116H76-S80 VanDerWaalsContact O-CB 3.32Å; H76-S80 WeakPolarHBondContact O-CB 3.44Å; H76-S80 PolarHBondContact O-N 3.34Å; M77-S80 PolarHBondContact O-N 2.63Å; S80-H114 PolarHBondContact OG-CE1 3.41Å; S80-H116 PolarHBondContact O-CD2 3.29Å; S80-H116 PolarHBondContact O-NE2 3.2Å
81E97.9Very high97.9Very high93 Ų9324.4 Ų24.444%0.43513%0.131SC..Hα-helixtrans-97-5.8-176.7-59.2-71.9166.600112.9Q47 M77 A78 A79 H83Q47-E81 HydrophobicContact CG-CG 4.1Å; Q47-E81 WeakPolarHBondContact O-CG 3.49Å; M77-E81 VanDerWaalsContact O-CG 3.31Å; M77-E81 WeakPolarHBondContact O-CG 3.46Å; M77-E81 PolarHBondContact O-N 2.99Å; A78-E81 PolarHBondContact O-N 2.76Å; A79-E81 VanDerWaalsContact C-N 3.27Å; A79-E81 PolarHBondContact O-N 3.21Å; E81-H83 WeakPolarHBondContact CB-NE2 3.49Å
82G97.2Very high97.9Very high22 Ų2226.7 Ų26.723%0.22714%0.138CC..THydrogen-bonded Turntrans84.416174.500000115.3A78 A79 A84 H116A78-G82 PolarHBondContact O-N 3.45Å; A78-G82 VanDerWaalsContact O-N 3.08Å; A79-G82 PolarHBondContact O-N 3.5Å; G82-A84 VanDerWaalsContact C-N 3.34Å; G82-A84 PolarHBondContact O-N 2.94Å; G82-H116 VanDerWaalsContact CA-CD2 3.48Å; G82-H116 WeakPolarHBondContact CA-CD2 3.36Å; G82-H116 WeakPolarHBondContact CA-ND1 3.35Å; G82-H116 PolarHBondContact N-CD2 3.34Å; G82-H116 PolarHBondContact N-NE2 3.31Å
83H98.2Very high97.8Very high53 Ų5327.5 Ų27.525%0.24514%0.144CC..  trans-80.176.3-175.4-60.8-49.8000112A46 Q47 G49 A78 E81 S85 I86 V87A46-H83 PolarHBondContact O-CD2 3.46Å; Q47-H83 PolarHBondContact O-CD2 3.14Å; Q47-H83 PolarHBondContact O-NE2 3.41Å; G49-H83 PolarHBondContact N-CD2 3.32Å; G49-H83 PolarHBondContact N-NE2 2.99Å; A78-H83 PolarHBondContact O-N 3.31Å; E81-H83 WeakPolarHBondContact CB-NE2 3.49Å; H83-S85 VanDerWaalsContact C-N 3.34Å; H83-S85 PolarHBondContact O-N 3.49Å; H83-I86 HydrophobicContact CB-CB 3.99Å; H83-I86 HydrophobicContact CB-CD1 4.12Å; H83-I86 HydrophobicContact CB-CG1 4.12Å; H83-I86 WeakPolarHBondContact O-CB 3.33Å; H83-I86 PolarHBondContact O-N 2.93Å; H83-V87 WeakPolarHBondContact O-CG2 3.46Å; H83-V87 PolarHBondContact O-N 3.01Å
84A97.9Very high97.7Very high10 Ų1029.6 Ų29.68%0.08317%0.167CC..Hα-helixtrans-53.6-43.9-17600000113.7G82 I86 V87 E88 E118 V119 L122G82-A84 VanDerWaalsContact C-N 3.34Å; G82-A84 PolarHBondContact O-N 2.94Å; A84-I86 VanDerWaalsContact C-N 3.27Å; A84-I86 PolarHBondContact O-N 3.34Å; A84-V87 PolarHBondContact O-N 2.93Å; A84-E88 PolarHBondContact O-N 2.8Å; A84-E118 HydrophobicContact CB-CB 4.37Å; A84-E118 VanDerWaalsContact CB-CD 3.43Å; A84-E118 HydrophobicContact CB-CG 3.77Å; A84-V119 HydrophobicContact CB-CG2 4.1Å; A84-L122 WeakPolarHBondContact O-CD2 3.46Å
85S98Very high97.7Very high73 Ų7330.2 Ų30.251%0.5117%0.171SC..Hα-helixtrans-62.2-34.2178.7-41.40000112.8H83 V89H83-S85 VanDerWaalsContact C-N 3.34Å; H83-S85 PolarHBondContact O-N 3.49Å; S85-V89 PolarHBondContact O-N 3.18Å
86I98.2Very high97.6Very high3 Ų333.4 Ų33.42%0.01519%0.188CC..Hα-helixtrans-74.9-44.4176.7-66.2-169.9000110.6A46 G49 T54 A78 H83 A84 E88 V89 L90A46-I86 HydrophobicContact CB-CG2 3.96Å; G49-I86 VanDerWaalsContact CA-CD1 3.41Å; T54-I86 HydrophobicContact CG2-CG2 4.11Å; A78-I86 HydrophobicContact CB-CB 4.18Å; A78-I86 HydrophobicContact CB-CG2 3.63Å; H83-I86 HydrophobicContact CB-CB 3.99Å; H83-I86 HydrophobicContact CB-CD1 4.12Å; H83-I86 HydrophobicContact CB-CG1 4.12Å; H83-I86 WeakPolarHBondContact O-CB 3.33Å; H83-I86 PolarHBondContact O-N 2.93Å; A84-I86 VanDerWaalsContact C-N 3.27Å; A84-I86 PolarHBondContact O-N 3.34Å; I86-E88 PolarHBondContact O-N 3.01Å; I86-V89 PolarHBondContact O-N 2.95Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.13Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 VanDerWaalsContact O-CG 3.26Å; I86-L90 WeakPolarHBondContact O-CG 3.19Å; I86-L90 PolarHBondContact O-N 2.9Å
87V98.4Very high97.6Very high0 Ų034 Ų340%019%0.193CC..Hα-helixtrans-54.1-45.3174.6171.50000109.5L75 A78 A79 H83 A84 V89 L90 L91 V119 L122 L123L75-V87 HydrophobicContact CD1-CB 4.38Å; L75-V87 HydrophobicContact CD1-CG1 3.93Å; L75-V87 HydrophobicContact CD1-CG2 4.39Å; A78-V87 HydrophobicContact CB-CG2 3.68Å; A79-V87 HydrophobicContact CB-CG2 4.46Å; H83-V87 WeakPolarHBondContact O-CG2 3.46Å; H83-V87 PolarHBondContact O-N 3.01Å; A84-V87 PolarHBondContact O-N 2.93Å; V87-V89 PolarHBondContact O-N 3.01Å; V87-L90 PolarHBondContact O-N 3.28Å; V87-L91 HydrophobicContact CG1-CD1 3.64Å; V87-L91 HydrophobicContact CG1-CG 4.41Å; V87-L91 WeakPolarHBondContact O-CB 3.35Å; V87-L91 WeakPolarHBondContact O-CD1 3.42Å; V87-L91 WeakPolarHBondContact O-CG 3.5Å; V87-L91 PolarHBondContact O-N 3.44Å; V87-V119 HydrophobicContact CG1-CG1 4.36Å; V87-V119 HydrophobicContact CG2-CG1 4.01Å; V87-V119 HydrophobicContact CG2-CG2 4.39Å; V87-L122 HydrophobicContact CB-CD2 3.95Å; V87-L122 HydrophobicContact CG1-CD2 3.67Å; V87-L122 HydrophobicContact CG1-CG 4.39Å; V87-L123 HydrophobicContact CG1-CD2 4Å; V87-L123 HydrophobicContact CG1-CG 4.22Å
88E98Very high97.5Very high57 Ų5735.8 Ų35.827%0.26620%0.202SC..Hα-helixtrans-61.2-48.2179-160.4-169.9-166.100112.2A84 I86 L90 L91 K92 L122 Y126A84-E88 PolarHBondContact O-N 2.8Å; I86-E88 PolarHBondContact O-N 3.01Å; E88-L90 PolarHBondContact O-N 3.22Å; E88-L91 PolarHBondContact O-N 2.85Å; E88-K92 VanDerWaalsContact CD-CE 3.44Å; E88-K92 HydrophobicContact CG-CD 4.14Å; E88-K92 HydrophobicContact CG-CG 4.45Å; E88-K92 WeakPolarHBondContact O-CB 3.42Å; E88-K92 VanDerWaalsContact O-CG 3.3Å; E88-K92 WeakPolarHBondContact O-CG 3.14Å; E88-K92 PolarHBondContact O-N 2.67Å; E88-K92 WeakPolarHBondContact OE1-CE 3.3Å; E88-K92 IonicContact OE1-NZ 2.87Å; E88-K92 PolarHBondContact OE1-NZ 2.87Å; E88-K92 IonicContact OE2-NZ 2.6Å; E88-K92 PolarHBondContact OE2-NZ 3.3Å; E88-L122 HydrophobicContact CB-CD1 4.48Å; E88-L122 HydrophobicContact CB-CD2 3.77Å; E88-L122 HydrophobicContact CG-CD1 4.18Å; E88-L122 HydrophobicContact CG-CD2 4.35Å; E88-Y126 HydrophobicContact CG-CE2 4.22Å
89V97.9Very high97.5Very high7 Ų735.9 Ų35.94%0.04220%0.203CC..Hα-helixtrans-64.9-40179.1166.50000112.2Y51 L58 S85 I86 V87 K92 H93Y51-V89 HydrophobicContact CD2-CG2 4.13Å; Y51-V89 HydrophobicContact CE2-CB 4.4Å; Y51-V89 HydrophobicContact CE2-CG2 3.25Å; L58-V89 HydrophobicContact CD1-CG1 3.6Å; S85-V89 PolarHBondContact O-N 3.18Å; I86-V89 PolarHBondContact O-N 2.95Å; V87-V89 PolarHBondContact O-N 3.01Å; V89-K92 PolarHBondContact O-N 2.6Å; V89-H93 PolarHBondContact O-CD2 3.44Å; V89-H93 PolarHBondContact O-N 2.9Å
90L97.8Very high97.5Very high0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-59.9-49.3175.4-71.9172000109.9L42 A46 T54 L58 R64 P74 L75 A78 I86 V87 E88 K92 A95L42-L90 HydrophobicContact CD1-CD2 4.37Å; L42-L90 HydrophobicContact CD2-CD2 4.31Å; L42-L90 HydrophobicContact CG-CD2 4.49Å; A46-L90 HydrophobicContact CB-CD1 4.42Å; T54-L90 HydrophobicContact CG2-CD2 4.26Å; L58-L90 HydrophobicContact CD1-CD2 4.13Å; L58-L90 HydrophobicContact CD2-CD2 4.28Å; R64-L90 VanDerWaalsContact CD-CD2 3.43Å; R64-L90 WeakPolarHBondContact CD-O 3.42Å; R64-L90 HydrophobicContact CG-CD2 3.7Å; R64-L90 PolarHBondContact NE-O 3.09Å; R64-L90 PolarHBondContact NH1-O 2.99Å; P74-L90 HydrophobicContact CB-CD1 4.22Å; P74-L90 HydrophobicContact CB-CD2 4.24Å; L75-L90 HydrophobicContact CB-CD1 4.36Å; L75-L90 HydrophobicContact CD1-CB 4.08Å; L75-L90 HydrophobicContact CD1-CD1 4.18Å; A78-L90 HydrophobicContact CB-CD1 4.08Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.13Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 VanDerWaalsContact O-CG 3.26Å; I86-L90 WeakPolarHBondContact O-CG 3.19Å; I86-L90 PolarHBondContact O-N 2.9Å; V87-L90 PolarHBondContact O-N 3.28Å; E88-L90 PolarHBondContact O-N 3.22Å; L90-K92 PolarHBondContact O-N 2.85Å; L90-A95 HydrophobicContact CB-CB 4.28Å; L90-A95 WeakPolarHBondContact O-CB 3.42Å; L90-A95 PolarHBondContact O-N 2.85Å; L90-A95 VanDerWaalsContact O-N 3.09Å
91L97.6Very high97.4Very high12 Ų1239.7 Ų39.76%0.06322%0.219CC..Hα-helixtrans-64.5-38.6177.8-65.8165.1000112.2L75 V87 E88 H93 G94 V97 L123 Y126L75-L91 HydrophobicContact CD1-CD2 4.29Å; L75-L91 HydrophobicContact CD1-CG 4.15Å; L75-L91 HydrophobicContact CD2-CD2 4Å; V87-L91 HydrophobicContact CG1-CD1 3.64Å; V87-L91 HydrophobicContact CG1-CG 4.41Å; V87-L91 WeakPolarHBondContact O-CB 3.35Å; V87-L91 WeakPolarHBondContact O-CD1 3.42Å; V87-L91 WeakPolarHBondContact O-CG 3.5Å; V87-L91 PolarHBondContact O-N 3.44Å; E88-L91 PolarHBondContact O-N 2.85Å; L91-H93 PolarHBondContact O-N 2.97Å; L91-G94 WeakPolarHBondContact O-CA 3.33Å; L91-G94 PolarHBondContact O-N 2.85Å; L91-V97 HydrophobicContact CD2-CB 3.78Å; L91-V97 HydrophobicContact CD2-CG2 3.86Å; L91-L123 HydrophobicContact CD1-CD2 4.12Å; L91-Y126 HydrophobicContact CB-CD1 3.7Å; L91-Y126 HydrophobicContact CB-CD2 4.24Å; L91-Y126 HydrophobicContact CB-CE1 3.89Å; L91-Y126 HydrophobicContact CB-CE2 4.43Å; L91-Y126 HydrophobicContact CB-CG 3.89Å; L91-Y126 HydrophobicContact CD1-CD1 4.4Å; L91-Y126 HydrophobicContact CD1-CD2 3.62Å; L91-Y126 HydrophobicContact CD1-CE2 4.25Å; L91-Y126 HydrophobicContact CD1-CG 3.71Å; L91-Y126 HydrophobicContact CG-CG 4.26Å
92K96.8Very high97.4Very high119 Ų11940.4 Ų40.452%0.51722%0.223SC..Hα-helixtrans-60.7-37.6-178.2-85.7175.6177.6162.40114.7E88 V89 L90 G94 Y126E88-K92 VanDerWaalsContact CD-CE 3.44Å; E88-K92 HydrophobicContact CG-CD 4.14Å; E88-K92 HydrophobicContact CG-CG 4.45Å; E88-K92 WeakPolarHBondContact O-CB 3.42Å; E88-K92 VanDerWaalsContact O-CG 3.3Å; E88-K92 WeakPolarHBondContact O-CG 3.14Å; E88-K92 PolarHBondContact O-N 2.67Å; E88-K92 WeakPolarHBondContact OE1-CE 3.3Å; E88-K92 IonicContact OE1-NZ 2.87Å; E88-K92 PolarHBondContact OE1-NZ 2.87Å; E88-K92 IonicContact OE2-NZ 2.6Å; E88-K92 PolarHBondContact OE2-NZ 3.3Å; V89-K92 PolarHBondContact O-N 2.6Å; L90-K92 PolarHBondContact O-N 2.85Å; K92-G94 VanDerWaalsContact C-N 3.31Å; K92-Y126 WeakPolarHBondContact CG-OH 3.48Å
93H96.4Very high97.3Very high92 Ų9242 Ų4243%0.42623%0.226SC..THydrogen-bonded Turntrans-86.42.9169.6-11.2-168.2000114.4R64 V89 L91R64-H93 VanDerWaalsContact NH1-C 3.29Å; R64-H93 PolarHBondContact NH2-O 3.18Å; V89-H93 PolarHBondContact O-CD2 3.44Å; V89-H93 PolarHBondContact O-N 2.9Å; L91-H93 PolarHBondContact O-N 2.97Å
94G95.1Very high97.2Very high46 Ų4644.8 Ų44.847%0.47424%0.238SC..THydrogen-bonded Turntrans94.359.1177.300000114.2R64 L91 K92R64-G94 PolarHBondContact NH2-O 3.24Å; L91-G94 WeakPolarHBondContact O-CA 3.33Å; L91-G94 PolarHBondContact O-N 2.85Å; K92-G94 VanDerWaalsContact C-N 3.31Å
95A97.1Very high97.2Very high12 Ų1244.9 Ų44.910%0.09924%0.237CC..  trans-72.2149.2161.100000109.5R64 L75 L90 V97R64-A95 HydrophobicContact CG-CB 3.9Å; L75-A95 HydrophobicContact CD2-CB 4.27Å; L90-A95 HydrophobicContact CB-CB 4.28Å; L90-A95 WeakPolarHBondContact O-CB 3.42Å; L90-A95 PolarHBondContact O-N 2.85Å; L90-A95 VanDerWaalsContact O-N 3.09Å; A95-V97 PolarHBondContact O-N 3.45Å
96D97.6Very high97.2Very high69 Ų6941.5 Ų41.537%0.36921%0.213SC..  trans-70.1103.9169179.210.2000110.4D65 N98 A99D65-D96 PolarHBondContact OD1-N 2.98Å; D96-N98 PolarHBondContact O-N 2.93Å; D96-N98 PolarHBondContact OD1-N 3.38Å; D96-A99 HydrophobicContact CB-CB 4.08Å; D96-A99 WeakPolarHBondContact O-CB 3.46Å; D96-A99 PolarHBondContact O-N 2.88Å; D96-A99 PolarHBondContact OD1-N 2.93Å; D96-A99 WeakPolarHBondContact OD2-CA 3.3Å; D96-A99 PolarHBondContact OD2-N 2.98Å
97V97.4Very high97.2Very high16 Ų1641.3 Ų41.310%0.09721%0.212CC..THydrogen-bonded Turntrans-62.5-28.6179.468.90000112.6L91 A95 L123 A128L91-V97 HydrophobicContact CD2-CB 3.78Å; L91-V97 HydrophobicContact CD2-CG2 3.86Å; A95-V97 PolarHBondContact O-N 3.45Å; V97-L123 HydrophobicContact CG2-CD2 3.93Å; V97-A128 HydrophobicContact CG2-CB 3.8Å
98N97.1Very high97.2Very high56 Ų5641.4 Ų41.430%0.29921%0.212SC..THydrogen-bonded Turntrans-103.714.4-176.4-67.6-44.6000112.5D96 K100 G127 A128 D129D96-N98 PolarHBondContact O-N 2.93Å; D96-N98 PolarHBondContact OD1-N 3.38Å; N98-K100 PolarHBondContact O-N 3.34Å; N98-G127 PolarHBondContact ND2-O 2.86Å; N98-A128 WeakPolarHBondContact OD1-CA 3.33Å; N98-D129 WeakPolarHBondContact OD1-CB 3.47Å; N98-D129 PolarHBondContact OD1-N 3.09Å
99A97.4Very high97.2Very high3 Ų338.7 Ų38.73%0.02520%0.2CC..  trans-54.4135.7173.800000109.9T73 H76 D96 T106T73-A99 HydrophobicContact CG2-CB 4.03Å; H76-A99 PolarHBondContact CE1-O 3.26Å; H76-A99 VanDerWaalsContact CE1-O 3.25Å; H76-A99 PolarHBondContact NE2-O 3.1Å; H76-A99 VanDerWaalsContact NE2-O 3.16Å; D96-A99 HydrophobicContact CB-CB 4.08Å; D96-A99 WeakPolarHBondContact O-CB 3.46Å; D96-A99 PolarHBondContact O-N 2.88Å; D96-A99 PolarHBondContact OD1-N 2.93Å; D96-A99 WeakPolarHBondContact OD2-CA 3.3Å; D96-A99 PolarHBondContact OD2-N 2.98Å; A99-T106 WeakPolarHBondContact O-CA 3.4Å
100K97.1Very high97.2Very high86 Ų8639.4 Ų39.437%0.37420%0.201SC..  trans-110.7134.3179.8-70.6-173.5-177.8-171.60110.7N98 K104 M105 T106N98-K100 PolarHBondContact O-N 3.34Å; K100-K104 HydrophobicContact CB-CD 4.49Å; K100-K104 HydrophobicContact CD-CB 4.33Å; K100-K104 HydrophobicContact CD-CD 4.33Å; K100-M105 WeakPolarHBondContact CA-O 3.45Å; K100-T106 HydrophobicContact CG-CG2 3.94Å
101D97.1Very high97.2Very high4 Ų439.4 Ų39.42%0.02120%0.201CC..  trans-80.8-173.7170.8765.3000112.4R72 L103 K104 M105 W110R72-D101 HydrophobicContact CG-CB 4.06Å; D101-L103 PolarHBondContact O-N 2.95Å; D101-L103 VanDerWaalsContact OD1-CA 3.31Å; D101-L103 WeakPolarHBondContact OD1-CA 3.29Å; D101-L103 WeakPolarHBondContact OD1-CB 3.25Å; D101-L103 PolarHBondContact OD1-N 3.04Å; D101-K104 WeakPolarHBondContact O-CA 3.29Å; D101-K104 PolarHBondContact O-N 3.39Å; D101-K104 PolarHBondContact OD1-N 3.49Å; D101-K104 VanDerWaalsContact OD1-N 3.17Å; D101-M105 PolarHBondContact N-O 2.98Å; D101-M105 WeakPolarHBondContact OD1-CB 3.42Å; D101-M105 PolarHBondContact OD1-N 3.34Å; D101-W110 WeakPolarHBondContact OD2-CZ2 3.47Å; D101-W110 PolarHBondContact OD2-NE1 3.3Å
102M96.6Very high97.2Very high108 Ų10838.9 Ų38.953%0.53220%0.199SC..THydrogen-bonded Turntrans-63.9-21.2-179.6-169.817567.600113.6V70 K104V70-M102 HydrophobicContact CB-CE 4.43Å; V70-M102 HydrophobicContact CG1-CE 3.99Å; V70-M102 WeakPolarHBondContact O-CB 3.46Å; V70-M102 PolarHBondContact O-N 3.23Å; M102-K104 VanDerWaalsContact C-N 3.3Å
103L95.6Very high97.2Very high55 Ų5537.1 Ų37.129%0.28819%0.192SC..THydrogen-bonded Turntrans-92.39.9173.1-61.3-180000112.3D101 M105 K135 F136D101-L103 PolarHBondContact O-N 2.95Å; D101-L103 VanDerWaalsContact OD1-CA 3.31Å; D101-L103 WeakPolarHBondContact OD1-CA 3.29Å; D101-L103 WeakPolarHBondContact OD1-CB 3.25Å; D101-L103 PolarHBondContact OD1-N 3.04Å; L103-M105 HydrophobicContact CB-CG 4.12Å; L103-M105 HydrophobicContact CB-SD 4.03Å; L103-M105 HydrophobicContact CD1-SD 4.05Å; L103-M105 PolarHBondContact O-N 3.25Å; L103-M105 VanDerWaalsContact O-N 3.13Å; L103-K135 WeakPolarHBondContact O-CB 3.37Å; L103-K135 PolarHBondContact O-N 3.16Å; L103-F136 HydrophobicContact CD2-CE2 4.41Å; L103-F136 HydrophobicContact CD2-CZ 4.46Å
104K96.8Very high97.2Very high113 Ų11336.7 Ų36.749%0.49119%0.191SC..SBendtrans58.316.6-173.2-55.1-59.3-174.9-172.80113.5K100 D101 M102 K135K100-K104 HydrophobicContact CB-CD 4.49Å; K100-K104 HydrophobicContact CD-CB 4.33Å; K100-K104 HydrophobicContact CD-CD 4.33Å; D101-K104 WeakPolarHBondContact O-CA 3.29Å; D101-K104 PolarHBondContact O-N 3.39Å; D101-K104 PolarHBondContact OD1-N 3.49Å; D101-K104 VanDerWaalsContact OD1-N 3.17Å; M102-K104 VanDerWaalsContact C-N 3.3Å; K104-K135 HydrophobicContact CG-CB 4.47Å
105M97.4Very high97.2Very high12 Ų1238.8 Ų38.86%0.05919%0.191CC..  trans-79.1140.7174.9-71.8169.456.900109.2H76 K100 D101 L103 H109 W110 E113H76-M105 PolarHBondContact NE2-O 2.9Å; K100-M105 WeakPolarHBondContact CA-O 3.45Å; D101-M105 PolarHBondContact N-O 2.98Å; D101-M105 WeakPolarHBondContact OD1-CB 3.42Å; D101-M105 PolarHBondContact OD1-N 3.34Å; L103-M105 HydrophobicContact CB-CG 4.12Å; L103-M105 HydrophobicContact CB-SD 4.03Å; L103-M105 HydrophobicContact CD1-SD 4.05Å; L103-M105 PolarHBondContact O-N 3.25Å; L103-M105 VanDerWaalsContact O-N 3.13Å; M105-H109 HydrophobicContact CB-CB 3.98Å; M105-H109 HydrophobicContact CE-CB 4.1Å; M105-H109 HydrophobicContact CG-CB 4.14Å; M105-W110 HydrophobicContact CE-CD2 3.53Å; M105-W110 HydrophobicContact CE-CE3 4.01Å; M105-W110 HydrophobicContact CE-CG 3.89Å; M105-W110 HydrophobicContact CE-CH2 3.92Å; M105-W110 HydrophobicContact CE-CZ2 3.51Å; M105-W110 HydrophobicContact CE-CZ3 4.19Å; M105-W110 HydrophobicContact SD-CZ2 3.97Å; M105-E113 WeakPolarHBondContact CE-OE2 3.43Å
106T98Very high97.2Very high1 Ų140.6 Ų40.61%0.00620%0.197CC..  trans-95.4170.4171.663.40000110.2A99 K100 L108 H109 W110 A132A99-T106 WeakPolarHBondContact O-CA 3.4Å; K100-T106 HydrophobicContact CG-CG2 3.94Å; T106-L108 PolarHBondContact O-N 3.45Å; T106-L108 PolarHBondContact OG1-N 3.49Å; T106-H109 PolarHBondContact N-ND1 3.31Å; T106-H109 WeakPolarHBondContact O-CB 3.3Å; T106-H109 PolarHBondContact O-N 3.4Å; T106-H109 PolarHBondContact OG1-ND1 3.2Å; T106-W110 PolarHBondContact O-N 3.25Å; T106-A132 HydrophobicContact CG2-CB 4.1Å
107A97.9Very high97.2Very high0 Ų041 Ų410%020%0.197CC..Hα-helixtrans-53.7-34.3172.100000112.5L75 A79 W110 A111 L123L75-A107 HydrophobicContact CD2-CB 4.02Å; L75-A107 HydrophobicContact CG-CB 3.84Å; A79-A107 HydrophobicContact CB-CB 3.87Å; A79-A107 WeakPolarHBondContact CB-O 3.37Å; A107-W110 PolarHBondContact O-N 2.86Å; A107-A111 PolarHBondContact O-N 3.4Å; A107-L123 HydrophobicContact CB-CD1 4.01Å; A107-L123 HydrophobicContact CB-CD2 4.05Å
108L98.1Very high97.2Very high1 Ų146.5 Ų46.51%0.00522%0.222CC..Hα-helixtrans-61.5-44.1176.3-173.667.6000111.8T106 W110 A111 T112 V120 L123 I124 A128 V130 A140 L156T106-L108 PolarHBondContact O-N 3.45Å; T106-L108 PolarHBondContact OG1-N 3.49Å; L108-W110 PolarHBondContact O-N 3.36Å; L108-A111 PolarHBondContact O-N 2.8Å; L108-T112 WeakPolarHBondContact O-CB 3.14Å; L108-T112 PolarHBondContact O-N 2.87Å; L108-T112 PolarHBondContact O-OG1 2.77Å; L108-V120 HydrophobicContact CD1-CB 4.34Å; L108-V120 HydrophobicContact CD1-CG1 3.92Å; L108-V120 HydrophobicContact CD1-CG2 4.29Å; L108-L123 HydrophobicContact CB-CD1 4.34Å; L108-L123 HydrophobicContact CD1-CB 4.16Å; L108-L123 HydrophobicContact CD1-CD1 4.37Å; L108-I124 HydrophobicContact CD1-CG1 4.21Å; L108-A128 HydrophobicContact CB-CB 4.48Å; L108-A128 HydrophobicContact CD2-CB 4.29Å; L108-V130 HydrophobicContact CD2-CB 4.43Å; L108-V130 HydrophobicContact CD2-CG1 3.97Å; L108-A140 HydrophobicContact CD2-CB 3.91Å; L108-A140 HydrophobicContact CG-CB 3.91Å; L108-L156 HydrophobicContact CD1-CD2 4.33Å; L108-L156 HydrophobicContact CD2-CD2 4.26Å
109H98.1Very high97.2Very high1 Ų144 Ų441%0.00521%0.208CC..Hα-helixtrans-60.7-45177.2-67.482000111.7M105 T106 T112 E113 A132 K138 I143M105-H109 HydrophobicContact CB-CB 3.98Å; M105-H109 HydrophobicContact CE-CB 4.1Å; M105-H109 HydrophobicContact CG-CB 4.14Å; T106-H109 PolarHBondContact N-ND1 3.31Å; T106-H109 WeakPolarHBondContact O-CB 3.3Å; T106-H109 PolarHBondContact O-N 3.4Å; T106-H109 PolarHBondContact OG1-ND1 3.2Å; H109-T112 PolarHBondContact O-N 3.25Å; H109-E113 WeakPolarHBondContact O-CB 3.37Å; H109-E113 PolarHBondContact O-N 3.04Å; H109-A132 PolarHBondContact CE1-O 3.23Å; H109-A132 PolarHBondContact NE2-O 2.77Å; H109-A132 VanDerWaalsContact NE2-O 3.12Å; H109-K138 PolarHBondContact NE2-O 2.99Å; H109-I143 HydrophobicContact CB-CD1 4.05Å
110W97.9Very high97.2Very high21 Ų2143.8 Ų43.88%0.0821%0.207CC..Hα-helixtrans-65.1-41.5179.8-7698.2000112.4H76 D101 M105 T106 A107 L108 E113 H114H76-W110 AromaticContact CD2-CD1 3.57Å; H76-W110 AromaticContact CD2-NE1 3.78Å; D101-W110 WeakPolarHBondContact OD2-CZ2 3.47Å; D101-W110 PolarHBondContact OD2-NE1 3.3Å; M105-W110 HydrophobicContact CE-CD2 3.53Å; M105-W110 HydrophobicContact CE-CE3 4.01Å; M105-W110 HydrophobicContact CE-CG 3.89Å; M105-W110 HydrophobicContact CE-CH2 3.92Å; M105-W110 HydrophobicContact CE-CZ2 3.51Å; M105-W110 HydrophobicContact CE-CZ3 4.19Å; M105-W110 HydrophobicContact SD-CZ2 3.97Å; T106-W110 PolarHBondContact O-N 3.25Å; A107-W110 PolarHBondContact O-N 2.86Å; L108-W110 PolarHBondContact O-N 3.36Å; W110-E113 WeakPolarHBondContact CZ3-OE2 3.11Å; W110-E113 PolarHBondContact O-N 2.7Å; W110-H114 AromaticContact CE3-CE1 3.65Å; W110-H114 AromaticContact CZ3-CE1 3.89Å; W110-H114 PolarHBondContact O-N 3.49Å; W110-H114 PolarHBondContact O-ND1 3.21Å
111A97.9Very high97.2Very high0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-63.1-42.3175.600000111.6A79 A107 L108 N115 H116 V119 V120 L123A79-A111 HydrophobicContact CB-CB 4.3Å; A79-A111 WeakPolarHBondContact O-CA 3.35Å; A107-A111 PolarHBondContact O-N 3.4Å; L108-A111 PolarHBondContact O-N 2.8Å; A111-N115 PolarHBondContact O-N 3.44Å; A111-N115 VanDerWaalsContact O-N 3.12Å; A111-H116 HydrophobicContact CB-CB 4.41Å; A111-H116 PolarHBondContact O-N 3.4Å; A111-V119 HydrophobicContact CB-CB 4.09Å; A111-V119 HydrophobicContact CB-CG1 3.58Å; A111-V120 HydrophobicContact CB-CG2 3.75Å; A111-L123 HydrophobicContact CB-CD1 4.2Å
112T97.6Very high97.2Very high1 Ų145 Ų451%0.00621%0.214CC..Hα-helixtrans-68.9-40.6177.2-55.50000112.6L108 H109 H114 N115 A140 I143 A144 L152 L156L108-T112 WeakPolarHBondContact O-CB 3.14Å; L108-T112 PolarHBondContact O-N 2.87Å; L108-T112 PolarHBondContact O-OG1 2.77Å; H109-T112 PolarHBondContact O-N 3.25Å; T112-H114 PolarHBondContact O-N 3.01Å; T112-N115 PolarHBondContact O-N 3.37Å; T112-A140 VanDerWaalsContact CG2-O 3.29Å; T112-A140 WeakPolarHBondContact CG2-O 3.29Å; T112-I143 HydrophobicContact CG2-CB 4.24Å; T112-I143 HydrophobicContact CG2-CG2 4.12Å; T112-A144 HydrophobicContact CG2-CB 3.7Å; T112-L152 HydrophobicContact CG2-CD1 4.31Å; T112-L156 HydrophobicContact CG2-CD1 3.93Å
113E96.7Very high97.3Very high82 Ų8239.9 Ų39.938%0.38319%0.189SC..Hα-helixtrans-59.1-37.3177.5-175.9178-164.700112.1M105 H109 W110 I143 N147M105-E113 WeakPolarHBondContact CE-OE2 3.43Å; H109-E113 WeakPolarHBondContact O-CB 3.37Å; H109-E113 PolarHBondContact O-N 3.04Å; W110-E113 WeakPolarHBondContact CZ3-OE2 3.11Å; W110-E113 PolarHBondContact O-N 2.7Å; E113-I143 HydrophobicContact CB-CG2 3.99Å; E113-N147 PolarHBondContact O-ND2 3.05Å
114H95.9Very high97.3Very high84 Ų8438.9 Ų38.939%0.38918%0.183SC..THydrogen-bonded Turntrans-97.97.5-178.4-64.876000113.9S80 W110 T112 H116S80-H114 PolarHBondContact OG-CE1 3.41Å; W110-H114 AromaticContact CE3-CE1 3.65Å; W110-H114 AromaticContact CZ3-CE1 3.89Å; W110-H114 PolarHBondContact O-N 3.49Å; W110-H114 PolarHBondContact O-ND1 3.21Å; T112-H114 PolarHBondContact O-N 3.01Å; H114-H116 VanDerWaalsContact CB-CD2 3.47Å; H114-H116 WeakPolarHBondContact CB-CD2 3.42Å; H114-H116 VanDerWaalsContact CB-NE2 3.33Å; H114-H116 WeakPolarHBondContact CB-NE2 3.5Å
115N95.5Very high97.3Very high89 Ų8941.2 Ų41.248%0.47619%0.193SC..THydrogen-bonded Turntrans63.439.7176.8-165.125000115.9A111 T112 Q117 N149 L152A111-N115 PolarHBondContact O-N 3.44Å; A111-N115 VanDerWaalsContact O-N 3.12Å; T112-N115 PolarHBondContact O-N 3.37Å; N115-Q117 PolarHBondContact O-N 3.41Å; N115-N149 PolarHBondContact OD1-ND2 3.43Å; N115-L152 WeakPolarHBondContact OD1-CD1 3.35Å
116H97.6Very high97.2Very high51 Ų5144.2 Ų44.224%0.23621%0.205CC..  trans-9580179.5-61.4-53.3000111.5A79 S80 G82 A111 H114 E118 V119 V120A79-H116 PolarHBondContact O-CD2 3.49Å; A79-H116 VanDerWaalsContact O-CD2 3.23Å; S80-H116 PolarHBondContact O-CD2 3.29Å; S80-H116 PolarHBondContact O-NE2 3.2Å; G82-H116 VanDerWaalsContact CA-CD2 3.48Å; G82-H116 WeakPolarHBondContact CA-CD2 3.36Å; G82-H116 WeakPolarHBondContact CA-ND1 3.35Å; G82-H116 PolarHBondContact N-CD2 3.34Å; G82-H116 PolarHBondContact N-NE2 3.31Å; A111-H116 HydrophobicContact CB-CB 4.41Å; A111-H116 PolarHBondContact O-N 3.4Å; H114-H116 VanDerWaalsContact CB-CD2 3.47Å; H114-H116 WeakPolarHBondContact CB-CD2 3.42Å; H114-H116 VanDerWaalsContact CB-NE2 3.33Å; H114-H116 WeakPolarHBondContact CB-NE2 3.5Å; H116-E118 PolarHBondContact O-N 3.03Å; H116-V119 HydrophobicContact CB-CB 3.99Å; H116-V119 HydrophobicContact CB-CG2 4.09Å; H116-V119 PolarHBondContact O-N 3.44Å; H116-V120 WeakPolarHBondContact O-CG2 3.47Å; H116-V120 PolarHBondContact O-N 3.46Å
117Q96.6Very high97Very high76 Ų7646.2 Ų46.236%0.35523%0.226SC..Hα-helixtrans-55.9-48.2-175.2-175.9-179-23.900113.8N115 V119 V120 E121 L152 I155N115-Q117 PolarHBondContact O-N 3.41Å; Q117-V119 VanDerWaalsContact C-N 3.26Å; Q117-V119 PolarHBondContact O-N 2.99Å; Q117-V120 WeakPolarHBondContact O-CB 3.22Å; Q117-V120 PolarHBondContact O-N 3.15Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.5Å; Q117-E121 PolarHBondContact NE2-OE1 3.35Å; Q117-E121 PolarHBondContact O-N 3.34Å; Q117-L152 HydrophobicContact CB-CD2 4.2Å; Q117-L152 HydrophobicContact CG-CD2 4.26Å; Q117-I155 HydrophobicContact CG-CD1 3.57Å; Q117-I155 VanDerWaalsContact NE2-CD1 3.32Å
118E97.3Very high96.9Very high133 Ų13346.3 Ų46.362%0.62123%0.226SC*.Hα-helixtrans-58.5-40.2-179.8-172.2-176.6-17800111.7A84 H116 L122A84-E118 HydrophobicContact CB-CB 4.37Å; A84-E118 VanDerWaalsContact CB-CD 3.43Å; A84-E118 HydrophobicContact CB-CG 3.77Å; H116-E118 PolarHBondContact O-N 3.03Å; E118-L122 VanDerWaalsContact O-CB 3.29Å; E118-L122 WeakPolarHBondContact O-CB 3.46Å; E118-L122 PolarHBondContact O-N 2.58Å
119V98.2Very high96.8Very high2 Ų249 Ų491%0.01224%0.241CC..Hα-helixtrans-67.1-40.2176.3174.10000111.4A79 A84 V87 A111 H116 Q117 L122 L123A79-V119 HydrophobicContact CB-CG1 3.94Å; A84-V119 HydrophobicContact CB-CG2 4.1Å; V87-V119 HydrophobicContact CG1-CG1 4.36Å; V87-V119 HydrophobicContact CG2-CG1 4.01Å; V87-V119 HydrophobicContact CG2-CG2 4.39Å; A111-V119 HydrophobicContact CB-CB 4.09Å; A111-V119 HydrophobicContact CB-CG1 3.58Å; H116-V119 HydrophobicContact CB-CB 3.99Å; H116-V119 HydrophobicContact CB-CG2 4.09Å; H116-V119 PolarHBondContact O-N 3.44Å; Q117-V119 VanDerWaalsContact C-N 3.26Å; Q117-V119 PolarHBondContact O-N 2.99Å; V119-L122 PolarHBondContact O-N 3.49Å; V119-L123 HydrophobicContact CG1-CD1 3.72Å; V119-L123 HydrophobicContact CG1-CG 4.18Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 3Å
120V97.9Very high96.7Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-61.2-50.9177.8166.90000110.7L108 A111 H116 Q117 L122 L123 I124 L152 I155 L156L108-V120 HydrophobicContact CD1-CB 4.34Å; L108-V120 HydrophobicContact CD1-CG1 3.92Å; L108-V120 HydrophobicContact CD1-CG2 4.29Å; A111-V120 HydrophobicContact CB-CG2 3.75Å; H116-V120 WeakPolarHBondContact O-CG2 3.47Å; H116-V120 PolarHBondContact O-N 3.46Å; Q117-V120 WeakPolarHBondContact O-CB 3.22Å; Q117-V120 PolarHBondContact O-N 3.15Å; V120-L122 VanDerWaalsContact C-N 3.27Å; V120-L122 PolarHBondContact O-N 2.92Å; V120-L123 PolarHBondContact O-N 3.17Å; V120-I124 HydrophobicContact CG1-CD1 3.7Å; V120-I124 WeakPolarHBondContact O-CD1 3.5Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.49Å; V120-I124 PolarHBondContact O-N 2.96Å; V120-L152 HydrophobicContact CB-CD2 3.88Å; V120-L152 HydrophobicContact CG1-CD2 3.89Å; V120-L152 HydrophobicContact CG2-CD2 3.8Å; V120-I155 HydrophobicContact CG1-CG2 4.34Å; V120-L156 HydrophobicContact CG1-CD2 4.09Å; V120-L156 HydrophobicContact CG1-CG 4.37Å
121E96.8Very high96.5Very high92 Ų9251.5 Ų51.543%0.4325%0.253SS..Hα-helixtrans-58.2-42.6177.4-69.7177.3-161.300111.4Q117 I124 K125 I155Q117-E121 WeakPolarHBondContact CG-OE1 3.5Å; Q117-E121 PolarHBondContact NE2-OE1 3.35Å; Q117-E121 PolarHBondContact O-N 3.34Å; E121-I124 PolarHBondContact O-N 3.37Å; E121-K125 WeakPolarHBondContact O-CB 3.35Å; E121-K125 PolarHBondContact O-N 3.29Å; E121-I155 HydrophobicContact CG-CD1 4.27Å; E121-I155 HydrophobicContact CG-CG2 4.13Å; E121-I155 WeakPolarHBondContact OE1-CD1 3.31Å
122L97.6Very high96.3Very high24 Ų2451.6 Ų51.613%0.12625%0.254CS..Hα-helixtrans-62.9-48.6177.3-169.268000111.8A84 V87 E88 E118 V119 V120 I124 K125 Y126A84-L122 WeakPolarHBondContact O-CD2 3.46Å; V87-L122 HydrophobicContact CB-CD2 3.95Å; V87-L122 HydrophobicContact CG1-CD2 3.67Å; V87-L122 HydrophobicContact CG1-CG 4.39Å; E88-L122 HydrophobicContact CB-CD1 4.48Å; E88-L122 HydrophobicContact CB-CD2 3.77Å; E88-L122 HydrophobicContact CG-CD1 4.18Å; E88-L122 HydrophobicContact CG-CD2 4.35Å; E118-L122 VanDerWaalsContact O-CB 3.29Å; E118-L122 WeakPolarHBondContact O-CB 3.46Å; E118-L122 PolarHBondContact O-N 2.58Å; V119-L122 PolarHBondContact O-N 3.49Å; V120-L122 VanDerWaalsContact C-N 3.27Å; V120-L122 PolarHBondContact O-N 2.92Å; L122-I124 VanDerWaalsContact C-N 3.32Å; L122-I124 PolarHBondContact O-N 3.42Å; L122-K125 WeakPolarHBondContact O-CB 3.39Å; L122-K125 PolarHBondContact O-N 3.02Å; L122-Y126 HydrophobicContact CD1-CD2 4.09Å; L122-Y126 HydrophobicContact CD1-CE2 3.68Å; L122-Y126 HydrophobicContact CG-CD2 4.19Å; L122-Y126 HydrophobicContact CG-CE2 4.15Å; L122-Y126 VanDerWaalsContact O-CD2 3.3Å; L122-Y126 WeakPolarHBondContact O-CD2 3.42Å; L122-Y126 PolarHBondContact O-N 2.82Å; L122-Y126 VanDerWaalsContact O-N 3.09Å
123L97.6Very high96.2Very high0 Ų056.8 Ų56.80%028%0.278CS..Hα-helixtrans-60.2-42.3178.7-73.7168.3000111.6L75 A79 V87 L91 V97 A107 L108 A111 V119 V120 K125 Y126 G127 A128L75-L123 HydrophobicContact CD1-CD2 4.45Å; L75-L123 HydrophobicContact CD2-CD2 4.37Å; A79-L123 HydrophobicContact CB-CD1 4.4Å; V87-L123 HydrophobicContact CG1-CD2 4Å; V87-L123 HydrophobicContact CG1-CG 4.22Å; L91-L123 HydrophobicContact CD1-CD2 4.12Å; V97-L123 HydrophobicContact CG2-CD2 3.93Å; A107-L123 HydrophobicContact CB-CD1 4.01Å; A107-L123 HydrophobicContact CB-CD2 4.05Å; L108-L123 HydrophobicContact CB-CD1 4.34Å; L108-L123 HydrophobicContact CD1-CB 4.16Å; L108-L123 HydrophobicContact CD1-CD1 4.37Å; A111-L123 HydrophobicContact CB-CD1 4.2Å; V119-L123 HydrophobicContact CG1-CD1 3.72Å; V119-L123 HydrophobicContact CG1-CG 4.18Å; V119-L123 WeakPolarHBondContact O-CB 3.47Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 3Å; V120-L123 PolarHBondContact O-N 3.17Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 3.49Å; L123-Y126 CarbonylContact O-C 3.58Å; L123-Y126 PolarHBondContact O-N 2.6Å; L123-G127 PolarHBondContact O-N 3.33Å; L123-A128 HydrophobicContact CB-CB 4Å; L123-A128 WeakPolarHBondContact O-CB 3.37Å; L123-A128 PolarHBondContact O-N 3.46Å
124I96.4Very high96.1Very high33 Ų3353.3 Ų53.317%0.16926%0.263CS..Hα-helixtrans-61.1-44.7175.7-67.2162.7000110.6L108 V120 E121 L122 Y126 G127 V130 I155 L156 A159L108-I124 HydrophobicContact CD1-CG1 4.21Å; V120-I124 HydrophobicContact CG1-CD1 3.7Å; V120-I124 WeakPolarHBondContact O-CD1 3.5Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.49Å; V120-I124 PolarHBondContact O-N 2.96Å; E121-I124 PolarHBondContact O-N 3.37Å; L122-I124 VanDerWaalsContact C-N 3.32Å; L122-I124 PolarHBondContact O-N 3.42Å; I124-Y126 PolarHBondContact O-N 3.37Å; I124-G127 PolarHBondContact O-N 3.33Å; I124-V130 HydrophobicContact CG1-CG1 4.07Å; I124-I155 HydrophobicContact CD1-CG2 4Å; I124-L156 HydrophobicContact CD1-CD2 4.12Å; I124-A159 HydrophobicContact CD1-CB 3.85Å; I124-A159 HydrophobicContact CG1-CB 4.29Å; I124-A159 HydrophobicContact CG2-CB 3.78Å
125K95.8Very high96.1Very high162 Ų16255.9 Ų55.970%0.70427%0.273SS*.Hα-helixtrans-58.7-34.2177.1-179.5-178.4177.9-178.80112.9E121 L122 L123 G127E121-K125 WeakPolarHBondContact O-CB 3.35Å; E121-K125 PolarHBondContact O-N 3.29Å; L122-K125 WeakPolarHBondContact O-CB 3.39Å; L122-K125 PolarHBondContact O-N 3.02Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 3.49Å; K125-G127 VanDerWaalsContact C-N 3.31Å
126Y96.3Very high96Very high76 Ų7658.1 Ų58.130%0.29828%0.279SS..THydrogen-bonded Turntrans-88.410.9176.6-78.8-90.8000113.9E88 L91 K92 L122 L123 I124E88-Y126 HydrophobicContact CG-CE2 4.22Å; L91-Y126 HydrophobicContact CB-CD1 3.7Å; L91-Y126 HydrophobicContact CB-CD2 4.24Å; L91-Y126 HydrophobicContact CB-CE1 3.89Å; L91-Y126 HydrophobicContact CB-CE2 4.43Å; L91-Y126 HydrophobicContact CB-CG 3.89Å; L91-Y126 HydrophobicContact CD1-CD1 4.4Å; L91-Y126 HydrophobicContact CD1-CD2 3.62Å; L91-Y126 HydrophobicContact CD1-CE2 4.25Å; L91-Y126 HydrophobicContact CD1-CG 3.71Å; L91-Y126 HydrophobicContact CG-CG 4.26Å; K92-Y126 WeakPolarHBondContact CG-OH 3.48Å; L122-Y126 HydrophobicContact CD1-CD2 4.09Å; L122-Y126 HydrophobicContact CD1-CE2 3.68Å; L122-Y126 HydrophobicContact CG-CD2 4.19Å; L122-Y126 HydrophobicContact CG-CE2 4.15Å; L122-Y126 VanDerWaalsContact O-CD2 3.3Å; L122-Y126 WeakPolarHBondContact O-CD2 3.42Å; L122-Y126 PolarHBondContact O-N 2.82Å; L122-Y126 VanDerWaalsContact O-N 3.09Å; L123-Y126 CarbonylContact O-C 3.58Å; L123-Y126 PolarHBondContact O-N 2.6Å; I124-Y126 PolarHBondContact O-N 3.37Å
127G93.8Very high95.8Very high43 Ų4360 Ų6044%0.44330%0.297SS..THydrogen-bonded Turntrans86.331.6172.900000114.8N98 L123 I124 K125 D129N98-G127 PolarHBondContact ND2-O 2.86Å; L123-G127 PolarHBondContact O-N 3.33Å; I124-G127 PolarHBondContact O-N 3.33Å; K125-G127 VanDerWaalsContact C-N 3.31Å; G127-D129 PolarHBondContact O-N 2.89Å
128A96.3Very high95.7Very high1 Ų160.4 Ų60.41%0.00830%0.297CS..  trans-60.6134.1168.300000111.1V97 N98 L108 L123 V130 Q163V97-A128 HydrophobicContact CG2-CB 3.8Å; N98-A128 WeakPolarHBondContact OD1-CA 3.33Å; L108-A128 HydrophobicContact CB-CB 4.48Å; L108-A128 HydrophobicContact CD2-CB 4.29Å; L123-A128 HydrophobicContact CB-CB 4Å; L123-A128 WeakPolarHBondContact O-CB 3.37Å; L123-A128 PolarHBondContact O-N 3.46Å; A128-V130 PolarHBondContact O-N 3.12Å; A128-Q163 PolarHBondContact O-NE2 2.96Å
129D95.3Very high95.6Very high58 Ų5854.8 Ų54.831%0.3127%0.272SS..  trans-72.6105.4173.4176.310.6000109.5N98 G127 H131 A132N98-D129 WeakPolarHBondContact OD1-CB 3.47Å; N98-D129 PolarHBondContact OD1-N 3.09Å; G127-D129 PolarHBondContact O-N 2.89Å; D129-H131 PolarHBondContact O-N 3.06Å; D129-H131 WeakPolarHBondContact OD1-CA 3.34Å; D129-H131 WeakPolarHBondContact OD1-CB 3.4Å; D129-H131 PolarHBondContact OD1-N 3.47Å; D129-A132 HydrophobicContact CB-CB 4.21Å; D129-A132 WeakPolarHBondContact O-CB 3.48Å; D129-A132 PolarHBondContact O-N 3.32Å; D129-A132 PolarHBondContact OD1-N 2.85Å
130V95.1Very high95.5Very high2 Ų254.8 Ų54.81%0.01227%0.272CS..THydrogen-bonded Turntrans-74.4-16.5178.7-63.20000112.7L108 I124 A128 L156 A159 M160 Q163L108-V130 HydrophobicContact CD2-CB 4.43Å; L108-V130 HydrophobicContact CD2-CG1 3.97Å; I124-V130 HydrophobicContact CG1-CG1 4.07Å; A128-V130 PolarHBondContact O-N 3.12Å; V130-L156 HydrophobicContact CG1-CD2 4.49Å; V130-A159 HydrophobicContact CG1-CB 3.96Å; V130-M160 HydrophobicContact CB-CG 4.04Å; V130-M160 HydrophobicContact CG2-CB 4.23Å; V130-M160 HydrophobicContact CG2-CG 3.56Å; V130-Q163 HydrophobicContact CG2-CB 4.49Å; V130-Q163 HydrophobicContact CG2-CG 4.36Å
131H94.4Very high95.4Very high72 Ų7255.5 Ų55.533%0.33328%0.276SS..THydrogen-bonded Turntrans-91.6-2.4177.4-59.3-66000112.7D129 Q133D129-H131 PolarHBondContact O-N 3.06Å; D129-H131 WeakPolarHBondContact OD1-CA 3.34Å; D129-H131 WeakPolarHBondContact OD1-CB 3.4Å; D129-H131 PolarHBondContact OD1-N 3.47Å; H131-Q133 PolarHBondContact O-N 3.13Å
132A94.3Very high95.4Very high3 Ų354.1 Ų54.13%0.02527%0.271CS..  trans-57.9131.7177.200000110.6T106 H109 D129T106-A132 HydrophobicContact CG2-CB 4.1Å; H109-A132 PolarHBondContact CE1-O 3.23Å; H109-A132 PolarHBondContact NE2-O 2.77Å; H109-A132 VanDerWaalsContact NE2-O 3.12Å; D129-A132 HydrophobicContact CB-CB 4.21Å; D129-A132 WeakPolarHBondContact O-CB 3.48Å; D129-A132 PolarHBondContact O-N 3.32Å; D129-A132 PolarHBondContact OD1-N 2.85Å
133Q94.7Very high95.3Very high109 Ų10953.8 Ų53.851%0.50927%0.27SS..  trans-103.2137.2176-67.8179.8-15.200111.4H131 T139H131-Q133 PolarHBondContact O-N 3.13Å; Q133-T139 HydrophobicContact CG-CG2 4.03Å
134S95.2Very high95.2Very high10 Ų1053.8 Ų53.87%0.0727%0.27CS..  trans-71174.1166.466.90000112F136 C137 K138S134-F136 PolarHBondContact O-N 2.96Å; S134-F136 VanDerWaalsContact O-N 3.08Å; S134-F136 PolarHBondContact OG-N 3.29Å; S134-C137 PolarHBondContact O-N 2.92Å; S134-K138 WeakPolarHBondContact CB-O 3.4Å; S134-K138 PolarHBondContact N-O 3.36Å; S134-K138 PolarHBondContact OG-N 3.18Å; S134-K138 PolarHBondContact OG-O 3.34Å
135K95Very high95.2Very high137 Ų13757 Ų5760%0.59629%0.286SS*.THydrogen-bonded Turntrans-59.7-19.9176.1-175.9176.5179.6-177.70113.1L103 K104L103-K135 WeakPolarHBondContact O-CB 3.37Å; L103-K135 PolarHBondContact O-N 3.16Å; K104-K135 HydrophobicContact CG-CB 4.47Å
136F93.6Very high95.2Very high137 Ų13754 Ų5460%0.60128%0.278SS*.THydrogen-bonded Turntrans-97.214.1178.7-52.4-70.8000112.9L103 S134 K138L103-F136 HydrophobicContact CD2-CE2 4.41Å; L103-F136 HydrophobicContact CD2-CZ 4.46Å; S134-F136 PolarHBondContact O-N 2.96Å; S134-F136 VanDerWaalsContact O-N 3.08Å; S134-F136 PolarHBondContact OG-N 3.29Å; F136-K138 HydrophobicContact CB-CG 4.44Å; F136-K138 PolarHBondContact O-N 2.65Å
137C93.1Very high95Very high90 Ų9054.6 Ų54.661%0.60829%0.286SS*.SBendtrans59.920.9-176.3-53.80000114S134S134-C137 PolarHBondContact O-N 2.92Å
138K94.3Very high95Very high85 Ų8555.3 Ų55.337%0.3729%0.294SS..  trans-92.9131.9173.5-63.2-168.6177.3-170.50110.2H109 S134 F136 D142 I143 D146H109-K138 PolarHBondContact NE2-O 2.99Å; S134-K138 WeakPolarHBondContact CB-O 3.4Å; S134-K138 PolarHBondContact N-O 3.36Å; S134-K138 PolarHBondContact OG-N 3.18Å; S134-K138 PolarHBondContact OG-O 3.34Å; F136-K138 HydrophobicContact CB-CG 4.44Å; F136-K138 PolarHBondContact O-N 2.65Å; K138-D142 HydrophobicContact CB-CB 4.13Å; K138-D142 HydrophobicContact CG-CB 4.41Å; K138-I143 HydrophobicContact CB-CG1 4.33Å; K138-I143 HydrophobicContact CD-CG1 4.49Å; K138-D146 WeakPolarHBondContact CE-OD2 3.44Å; K138-D146 IonicContact NZ-OD2 3.08Å; K138-D146 PolarHBondContact NZ-OD2 3.03Å
139T96.4Very high94.9Very high15 Ų1556.5 Ų56.59%0.09230%0.3CS..  trans-83.2171.1165.764.50000110.6Q133 L141 D142 I143Q133-T139 HydrophobicContact CG-CG2 4.03Å; T139-L141 PolarHBondContact O-N 3.22Å; T139-L141 PolarHBondContact OG1-N 3.23Å; T139-D142 WeakPolarHBondContact CB-OD2 3.18Å; T139-D142 PolarHBondContact N-OD2 2.81Å; T139-D142 PolarHBondContact O-N 3.31Å; T139-D142 PolarHBondContact OG1-N 2.94Å; T139-D142 PolarHBondContact OG1-OD2 3.31Å; T139-I143 WeakPolarHBondContact O-CG1 3.41Å; T139-I143 PolarHBondContact O-N 3.48Å
140A95.3Very high94.9Very high1 Ų161.5 Ų61.51%0.00832%0.321CS..Hα-helixtrans-58.8-38.4171.200000111.6L108 T112 D142 I143 A144 L156L108-A140 HydrophobicContact CD2-CB 3.91Å; L108-A140 HydrophobicContact CG-CB 3.91Å; T112-A140 VanDerWaalsContact CG2-O 3.29Å; T112-A140 WeakPolarHBondContact CG2-O 3.29Å; A140-D142 PolarHBondContact O-N 3.45Å; A140-I143 PolarHBondContact O-N 2.87Å; A140-A144 PolarHBondContact O-N 3.36Å; A140-L156 HydrophobicContact CB-CD1 4.01Å; A140-L156 HydrophobicContact CB-CD2 3.97Å
141L96.6Very high94.9Very high16 Ų1666.2 Ų66.28%0.08435%0.346CS..Hα-helixtrans-62.7-43.4177.5179.261.5000111.8T139 I143 A144 I145 A153 L156 M160T139-L141 PolarHBondContact O-N 3.22Å; T139-L141 PolarHBondContact OG1-N 3.23Å; L141-I143 VanDerWaalsContact C-N 3.26Å; L141-I143 PolarHBondContact O-N 3.49Å; L141-A144 PolarHBondContact O-N 2.98Å; L141-A144 VanDerWaalsContact O-N 3.15Å; L141-I145 HydrophobicContact CD1-CD1 4.11Å; L141-I145 HydrophobicContact CD1-CG1 4.29Å; L141-I145 HydrophobicContact CG-CD1 3.92Å; L141-I145 WeakPolarHBondContact O-CG1 3.49Å; L141-I145 PolarHBondContact O-N 2.98Å; L141-A153 HydrophobicContact CD1-CB 3.88Å; L141-A153 WeakPolarHBondContact CD1-O 3.42Å; L141-L156 HydrophobicContact CB-CB 4.37Å; L141-L156 HydrophobicContact CD1-CB 4.15Å; L141-M160 HydrophobicContact CB-SD 4.01Å; L141-M160 HydrophobicContact CD2-CE 4.36Å; L141-M160 HydrophobicContact CD2-SD 3.54Å; L141-M160 VanDerWaalsContact CD2-SD 3.54Å; L141-M160 HydrophobicContact CG-SD 4.39Å
142D96.2Very high94.9Very high62 Ų6262.8 Ų62.833%0.33233%0.331SS..Hα-helixtrans-59.7-39.7177.4-58.5-49.9000111.3K138 T139 A140 I145 D146K138-D142 HydrophobicContact CB-CB 4.13Å; K138-D142 HydrophobicContact CG-CB 4.41Å; T139-D142 WeakPolarHBondContact CB-OD2 3.18Å; T139-D142 PolarHBondContact N-OD2 2.81Å; T139-D142 PolarHBondContact O-N 3.31Å; T139-D142 PolarHBondContact OG1-N 2.94Å; T139-D142 PolarHBondContact OG1-OD2 3.31Å; A140-D142 PolarHBondContact O-N 3.45Å; D142-I145 PolarHBondContact O-N 3.18Å; D142-D146 WeakPolarHBondContact O-CB 3.3Å; D142-D146 PolarHBondContact O-N 3.33Å
143I95.3Very high95Very high17 Ų1763.5 Ų63.59%0.08734%0.336CS..Hα-helixtrans-65.6-42.5176.2-63.9173000111.2H109 T112 E113 K138 T139 A140 L141 I145 D146 N147H109-I143 HydrophobicContact CB-CD1 4.05Å; T112-I143 HydrophobicContact CG2-CB 4.24Å; T112-I143 HydrophobicContact CG2-CG2 4.12Å; E113-I143 HydrophobicContact CB-CG2 3.99Å; K138-I143 HydrophobicContact CB-CG1 4.33Å; K138-I143 HydrophobicContact CD-CG1 4.49Å; T139-I143 WeakPolarHBondContact O-CG1 3.41Å; T139-I143 PolarHBondContact O-N 3.48Å; A140-I143 PolarHBondContact O-N 2.87Å; L141-I143 VanDerWaalsContact C-N 3.26Å; L141-I143 PolarHBondContact O-N 3.49Å; I143-I145 VanDerWaalsContact C-N 3.32Å; I143-I145 PolarHBondContact O-N 3Å; I143-D146 PolarHBondContact O-N 3.3Å; I143-N147 WeakPolarHBondContact O-CB 3.26Å; I143-N147 PolarHBondContact O-N 3.05Å
144A96.6Very high95Very high0 Ų064.3 Ų64.30%034%0.34CS..Hα-helixtrans-61-42.8177.400000111.7T112 A140 L141 N147 G148 N149 L152 A153 L156T112-A144 HydrophobicContact CG2-CB 3.7Å; A140-A144 PolarHBondContact O-N 3.36Å; L141-A144 PolarHBondContact O-N 2.98Å; L141-A144 VanDerWaalsContact O-N 3.15Å; A144-N147 PolarHBondContact O-N 3.39Å; A144-G148 PolarHBondContact O-N 3.34Å; A144-N149 PolarHBondContact O-N 2.98Å; A144-L152 HydrophobicContact CB-CB 4.05Å; A144-A153 HydrophobicContact CB-CB 4.19Å; A144-L156 HydrophobicContact CB-CD1 3.98Å
145I96.1Very high95Very high101 Ų10165.5 Ų65.552%0.51835%0.345SS..Hα-helixtrans-65.6-45.7177.2-65.8168000110.9L141 D142 I143 N147 G148 A153L141-I145 HydrophobicContact CD1-CD1 4.11Å; L141-I145 HydrophobicContact CD1-CG1 4.29Å; L141-I145 HydrophobicContact CG-CD1 3.92Å; L141-I145 WeakPolarHBondContact O-CG1 3.49Å; L141-I145 PolarHBondContact O-N 2.98Å; D142-I145 PolarHBondContact O-N 3.18Å; I143-I145 VanDerWaalsContact C-N 3.32Å; I143-I145 PolarHBondContact O-N 3Å; I145-N147 VanDerWaalsContact C-N 3.25Å; I145-N147 PolarHBondContact O-N 3.23Å; I145-G148 PolarHBondContact O-N 2.89Å; I145-A153 HydrophobicContact CG1-CB 4.31Å
146D95Very high95Very high99 Ų9959 Ų5953%0.52932%0.317SS..Hα-helixtrans-61.3-35.1178.3-75.7-24.9000112.5K138 D142 I143 G148K138-D146 WeakPolarHBondContact CE-OD2 3.44Å; K138-D146 IonicContact NZ-OD2 3.08Å; K138-D146 PolarHBondContact NZ-OD2 3.03Å; D142-D146 WeakPolarHBondContact O-CB 3.3Å; D142-D146 PolarHBondContact O-N 3.33Å; I143-D146 PolarHBondContact O-N 3.3Å; D146-G148 VanDerWaalsContact C-N 3.25Å; D146-G148 PolarHBondContact O-N 3.24Å
147N93.3Very high95Very high89 Ų8957.4 Ų57.448%0.47631%0.311SS..THydrogen-bonded Turntrans-77.6-10.1175.4-76.1-8.7000113.2E113 I143 A144 I145 N149E113-N147 PolarHBondContact O-ND2 3.05Å; I143-N147 WeakPolarHBondContact O-CB 3.26Å; I143-N147 PolarHBondContact O-N 3.05Å; A144-N147 PolarHBondContact O-N 3.39Å; I145-N147 VanDerWaalsContact C-N 3.25Å; I145-N147 PolarHBondContact O-N 3.23Å; N147-N149 VanDerWaalsContact C-N 3.3Å; N147-N149 PolarHBondContact O-N 3.28Å
148G93.8Very high95Very high58 Ų5857.2 Ų57.260%0.59830%0.304SS*.THydrogen-bonded Turntrans68.725.4-176.400000113.8A144 I145 D146A144-G148 PolarHBondContact O-N 3.34Å; I145-G148 PolarHBondContact O-N 2.89Å; D146-G148 VanDerWaalsContact C-N 3.25Å; D146-G148 PolarHBondContact O-N 3.24Å
149N94.2Very high94.9Very high25 Ų2553.5 Ų53.513%0.13429%0.288CS..  trans-92.4100.8174.1-173-7.5000111N115 A144 N147 D151 L152 A153N115-N149 PolarHBondContact OD1-ND2 3.43Å; A144-N149 PolarHBondContact O-N 2.98Å; N147-N149 VanDerWaalsContact C-N 3.3Å; N147-N149 PolarHBondContact O-N 3.28Å; N149-D151 WeakPolarHBondContact OD1-CB 3.4Å; N149-D151 PolarHBondContact OD1-N 3.47Å; N149-L152 HydrophobicContact CB-CB 4.18Å; N149-L152 WeakPolarHBondContact ND2-CD1 3.32Å; N149-L152 VanDerWaalsContact ND2-CG 3.3Å; N149-L152 WeakPolarHBondContact ND2-CG 3.17Å; N149-L152 PolarHBondContact OD1-N 3.23Å; N149-A153 WeakPolarHBondContact O-CB 3.35Å; N149-A153 PolarHBondContact O-N 3.36Å; N149-A153 VanDerWaalsContact O-N 3.1Å
150E94.5Very high94.7Very high164 Ų16454.3 Ų54.377%0.76629%0.291SS*.Hα-helixtrans-64.4-41177.7-62.3-179.5-179.200112.4A153 E154E150-A153 PolarHBondContact O-N 2.86Å; E150-E154 PolarHBondContact O-N 3.12Å
151D94.5Very high94.3Very high100 Ų10058.9 Ų58.954%0.53531%0.313SS..Hα-helixtrans-64.2-46.4-178.1-60.2-37.8000111.2N149 A153 E154 I155N149-D151 WeakPolarHBondContact OD1-CB 3.4Å; N149-D151 PolarHBondContact OD1-N 3.47Å; D151-A153 VanDerWaalsContact C-N 3.35Å; D151-E154 PolarHBondContact O-N 2.97Å; D151-I155 WeakPolarHBondContact O-CG1 3.42Å; D151-I155 PolarHBondContact O-N 3.2Å
152L95.2Very high93.8Very high1 Ų162.6 Ų62.61%0.00533%0.333CS..Hα-helixtrans-66-38.4175.8-88.2179.2000112.1T112 N115 Q117 V120 A144 N149 E154 I155 L156T112-L152 HydrophobicContact CG2-CD1 4.31Å; N115-L152 WeakPolarHBondContact OD1-CD1 3.35Å; Q117-L152 HydrophobicContact CB-CD2 4.2Å; Q117-L152 HydrophobicContact CG-CD2 4.26Å; V120-L152 HydrophobicContact CB-CD2 3.88Å; V120-L152 HydrophobicContact CG1-CD2 3.89Å; V120-L152 HydrophobicContact CG2-CD2 3.8Å; A144-L152 HydrophobicContact CB-CB 4.05Å; N149-L152 HydrophobicContact CB-CB 4.18Å; N149-L152 WeakPolarHBondContact ND2-CD1 3.32Å; N149-L152 VanDerWaalsContact ND2-CG 3.3Å; N149-L152 WeakPolarHBondContact ND2-CG 3.17Å; N149-L152 PolarHBondContact OD1-N 3.23Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-I155 PolarHBondContact O-N 3.46Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CD1 3.39Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.42Å; L152-L156 PolarHBondContact O-N 2.86Å
153A95.8Very high93.1Very high17 Ų1762 Ų6214%0.1433%0.328CS..Hα-helixtrans-62.9-41.3176.600000110.9L141 A144 I145 N149 E150 D151 L156 Q157L141-A153 HydrophobicContact CD1-CB 3.88Å; L141-A153 WeakPolarHBondContact CD1-O 3.42Å; A144-A153 HydrophobicContact CB-CB 4.19Å; I145-A153 HydrophobicContact CG1-CB 4.31Å; N149-A153 WeakPolarHBondContact O-CB 3.35Å; N149-A153 PolarHBondContact O-N 3.36Å; N149-A153 VanDerWaalsContact O-N 3.1Å; E150-A153 PolarHBondContact O-N 2.86Å; D151-A153 VanDerWaalsContact C-N 3.35Å; A153-L156 PolarHBondContact O-N 3.21Å; A153-Q157 WeakPolarHBondContact O-CB 3.44Å; A153-Q157 PolarHBondContact O-N 2.99Å
154E95.5Very high91.7Very high127 Ų12765.7 Ų65.759%0.59335%0.347SS*.Hα-helixtrans-62-48.7175.6-174.5172.6-171.500111.6E150 D151 L152 L156 Q157 I158E150-E154 PolarHBondContact O-N 3.12Å; D151-E154 PolarHBondContact O-N 2.97Å; L152-E154 VanDerWaalsContact C-N 3.32Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.32Å; E154-Q157 PolarHBondContact O-N 2.62Å; E154-I158 HydrophobicContact CG-CD1 3.9Å; E154-I158 VanDerWaalsContact O-CG1 3.28Å; E154-I158 WeakPolarHBondContact O-CG1 3.37Å; E154-I158 PolarHBondContact O-N 2.92Å
155I95.1Very high89.6Confident34 Ų3471.1 Ų71.117%0.17438%0.376CS..Hα-helixtrans-57.8-46.5177.9-68.8163.4000111.2Q117 V120 E121 I124 D151 L152 I158 A159Q117-I155 HydrophobicContact CG-CD1 3.57Å; Q117-I155 VanDerWaalsContact NE2-CD1 3.32Å; V120-I155 HydrophobicContact CG1-CG2 4.34Å; E121-I155 HydrophobicContact CG-CD1 4.27Å; E121-I155 HydrophobicContact CG-CG2 4.13Å; E121-I155 WeakPolarHBondContact OE1-CD1 3.31Å; I124-I155 HydrophobicContact CD1-CG2 4Å; D151-I155 WeakPolarHBondContact O-CG1 3.42Å; D151-I155 PolarHBondContact O-N 3.2Å; L152-I155 PolarHBondContact O-N 3.46Å; I155-I158 PolarHBondContact O-N 3.28Å; I155-A159 WeakPolarHBondContact O-CB 3.47Å; I155-A159 PolarHBondContact O-N 2.94Å
156L94.8Very high87.5Confident1 Ų171.3 Ų71.31%0.00538%0.382CS..Hα-helixtrans-68.1-38.9179.9-72.5166000111.9L108 T112 V120 I124 V130 A140 L141 A144 L152 A153 E154 A159 M160L108-L156 HydrophobicContact CD1-CD2 4.33Å; L108-L156 HydrophobicContact CD2-CD2 4.26Å; T112-L156 HydrophobicContact CG2-CD1 3.93Å; V120-L156 HydrophobicContact CG1-CD2 4.09Å; V120-L156 HydrophobicContact CG1-CG 4.37Å; I124-L156 HydrophobicContact CD1-CD2 4.12Å; V130-L156 HydrophobicContact CG1-CD2 4.49Å; A140-L156 HydrophobicContact CB-CD1 4.01Å; A140-L156 HydrophobicContact CB-CD2 3.97Å; L141-L156 HydrophobicContact CB-CB 4.37Å; L141-L156 HydrophobicContact CD1-CB 4.15Å; A144-L156 HydrophobicContact CB-CD1 3.98Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CD1 3.39Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.42Å; L152-L156 PolarHBondContact O-N 2.86Å; A153-L156 PolarHBondContact O-N 3.21Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.32Å; L156-A159 PolarHBondContact O-N 3.42Å; L156-M160 WeakPolarHBondContact O-CB 3.13Å; L156-M160 VanDerWaalsContact O-CG 3.26Å; L156-M160 WeakPolarHBondContact O-CG 3.4Å; L156-M160 PolarHBondContact O-N 3.33Å
157Q94.2Very high84.9Confident103 Ų10372.4 Ų72.448%0.48139%0.388SS..Hα-helixtrans-62.8-43.4176.4-171.969.767.400111.5A153 E154 M160 Q161A153-Q157 WeakPolarHBondContact O-CB 3.44Å; A153-Q157 PolarHBondContact O-N 2.99Å; E154-Q157 PolarHBondContact O-N 2.62Å; Q157-M160 PolarHBondContact O-N 3.45Å; Q157-Q161 PolarHBondContact O-N 3.38Å; Q157-Q161 VanDerWaalsContact O-N 3.13Å
158I92.8Very high82.6Confident87 Ų8773.7 Ų73.745%0.44640%0.401SS..Hα-helixtrans-62.1-46.3174.4-68.1166.5000110E154 I155 M160 Q161 N162E154-I158 HydrophobicContact CG-CD1 3.9Å; E154-I158 VanDerWaalsContact O-CG1 3.28Å; E154-I158 WeakPolarHBondContact O-CG1 3.37Å; E154-I158 PolarHBondContact O-N 2.92Å; I155-I158 PolarHBondContact O-N 3.28Å; I158-M160 PolarHBondContact O-N 3.36Å; I158-Q161 PolarHBondContact O-N 3.07Å; I158-N162 VanDerWaalsContact O-CG 3.31Å; I158-N162 PolarHBondContact O-N 3.27Å; I158-N162 PolarHBondContact O-ND2 2.81Å
159A92.8Very high79.9Confident6 Ų678.7 Ų78.75%0.0541%0.409CS..Hα-helixtrans-62.3-40.3179.200000112.7I124 V130 I155 L156 N162 Q163I124-A159 HydrophobicContact CD1-CB 3.85Å; I124-A159 HydrophobicContact CG1-CB 4.29Å; I124-A159 HydrophobicContact CG2-CB 3.78Å; V130-A159 HydrophobicContact CG1-CB 3.96Å; I155-A159 WeakPolarHBondContact O-CB 3.47Å; I155-A159 PolarHBondContact O-N 2.94Å; L156-A159 PolarHBondContact O-N 3.42Å; A159-N162 PolarHBondContact O-N 3.01Å; A159-Q163 WeakPolarHBondContact O-CG 3.4Å; A159-Q163 PolarHBondContact O-N 3.43Å
160M90.4Very high77.2Confident32 Ų3283 Ų8316%0.15844%0.441CS..Hα-helixtrans-59.7-46.4174.1-74.5174.675.100111.7V130 L141 L156 Q157 I158 N162 Q163 I164V130-M160 HydrophobicContact CB-CG 4.04Å; V130-M160 HydrophobicContact CG2-CB 4.23Å; V130-M160 HydrophobicContact CG2-CG 3.56Å; L141-M160 HydrophobicContact CB-SD 4.01Å; L141-M160 HydrophobicContact CD2-CE 4.36Å; L141-M160 HydrophobicContact CD2-SD 3.54Å; L141-M160 VanDerWaalsContact CD2-SD 3.54Å; L141-M160 HydrophobicContact CG-SD 4.39Å; L156-M160 WeakPolarHBondContact O-CB 3.13Å; L156-M160 VanDerWaalsContact O-CG 3.26Å; L156-M160 WeakPolarHBondContact O-CG 3.4Å; L156-M160 PolarHBondContact O-N 3.33Å; Q157-M160 PolarHBondContact O-N 3.45Å; I158-M160 PolarHBondContact O-N 3.36Å; M160-N162 VanDerWaalsContact C-N 3.28Å; M160-N162 PolarHBondContact O-N 3.01Å; M160-Q163 PolarHBondContact O-N 3.2Å; M160-I164 WeakPolarHBondContact O-CD1 3.43Å; M160-I164 WeakPolarHBondContact O-CG1 3.31Å; M160-I164 PolarHBondContact O-N 3.16Å; M160-I164 VanDerWaalsContact O-N 3.14Å
161Q88.4Confident75Confident98 Ų9879.9 Ų79.946%0.45844%0.435SS..Hα-helixtrans-63.2-36.3178.6-173.657.66700112.3Q157 I158 N165Q157-Q161 PolarHBondContact O-N 3.38Å; Q157-Q161 VanDerWaalsContact O-N 3.13Å; I158-Q161 PolarHBondContact O-N 3.07Å; Q161-N165 PolarHBondContact NE2-ND2 2.8Å; Q161-N165 PolarHBondContact NE2-OD1 3.48Å; Q161-N165 VanDerWaalsContact O-CG 3.32Å; Q161-N165 PolarHBondContact O-N 3.13Å; Q161-N165 PolarHBondContact O-ND2 2.93Å; Q161-N165 VanDerWaalsContact O-ND2 3.12Å
162N86.3Confident72.1Confident93 Ų9381.9 Ų81.950%0.49745%0.446SS..Hα-helixtrans-69.4-41.6178.5-70.3-26.2000112.4I158 A159 M160 N165 T166I158-N162 VanDerWaalsContact O-CG 3.31Å; I158-N162 PolarHBondContact O-N 3.27Å; I158-N162 PolarHBondContact O-ND2 2.81Å; A159-N162 PolarHBondContact O-N 3.01Å; M160-N162 VanDerWaalsContact C-N 3.28Å; M160-N162 PolarHBondContact O-N 3.01Å; N162-N165 PolarHBondContact O-N 3.29Å; N162-T166 PolarHBondContact O-N 3.08Å; N162-T166 PolarHBondContact O-OG1 3.08Å
163Q81.6Confident69.3Low49 Ų4987.5 Ų87.523%0.22948%0.48CS..Hα-helixtrans-70.6-31.4179.5-68.8-17120.300112.9A128 V130 A159 M160 N165 T166A128-Q163 PolarHBondContact O-NE2 2.96Å; V130-Q163 HydrophobicContact CG2-CB 4.49Å; V130-Q163 HydrophobicContact CG2-CG 4.36Å; A159-Q163 WeakPolarHBondContact O-CG 3.4Å; A159-Q163 PolarHBondContact O-N 3.43Å; M160-Q163 PolarHBondContact O-N 3.2Å; Q163-N165 VanDerWaalsContact C-N 3.29Å; Q163-N165 PolarHBondContact O-N 3.17Å; Q163-T166 WeakPolarHBondContact CA-OG1 3.49Å; Q163-T166 PolarHBondContact O-N 3Å; Q163-T166 PolarHBondContact O-OG1 2.95Å
164I64.1Low66.3Low96 Ų9693.1 Ų93.149%0.49251%0.512SS..Hα-helixtrans-62.7-37.2172.9-66.8162.6000111.2M160 T166M160-I164 WeakPolarHBondContact O-CD1 3.43Å; M160-I164 WeakPolarHBondContact O-CG1 3.31Å; M160-I164 PolarHBondContact O-N 3.16Å; M160-I164 VanDerWaalsContact O-N 3.14Å; I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 3.25Å
165N53.8Low63.3Low113 Ų11391.8 Ų91.860%0.60451%0.513SS*.Hα-helixtrans-78.1-15.9-178-69.1-26.4000113.7Q161 N162 Q163Q161-N165 PolarHBondContact NE2-ND2 2.8Å; Q161-N165 PolarHBondContact NE2-OD1 3.48Å; Q161-N165 VanDerWaalsContact O-CG 3.32Å; Q161-N165 PolarHBondContact O-N 3.13Å; Q161-N165 PolarHBondContact O-ND2 2.93Å; Q161-N165 VanDerWaalsContact O-ND2 3.12Å; N162-N165 PolarHBondContact O-N 3.29Å; Q163-N165 VanDerWaalsContact C-N 3.29Å; Q163-N165 PolarHBondContact O-N 3.17Å
166T51.8Low60.3Low106 Ų10697.9 Ų97.965%0.6554%0.544SS*.THydrogen-bonded Turntrans-943.7-179.750.40000114.6N162 Q163 I164 P168N162-T166 PolarHBondContact O-N 3.08Å; N162-T166 PolarHBondContact O-OG1 3.08Å; Q163-T166 WeakPolarHBondContact CA-OG1 3.49Å; Q163-T166 PolarHBondContact O-N 3Å; Q163-T166 PolarHBondContact O-OG1 2.95Å; I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 3.25Å; T166-P168 WeakPolarHBondContact O-CD 3.48Å
167N39.6Very low57.5Low122 Ų122105.5 Ų105.565%0.65258%0.579SS**  trans-109.178.8179-161.520.9000112.5E169N167-E169 PolarHBondContact O-N 3.43Å
168P45.4Very low54.9Low116 Ų116105.3 Ų105.375%0.75360%0.595SS**  trans-94.961.3170.139.4-32.8000110.2T166T166-P168 WeakPolarHBondContact O-CD 3.48Å
169E36.9Very low52Low163 Ų163105.3 Ų105.376%0.76261%0.609SS**  trans-16690.6162.2-114.6173.5-175.800112.5N167N167-E169 PolarHBondContact O-N 3.43Å
170S38.5Very low49.1Very low116 Ų116110.5 Ų110.581%0.81164%0.64SS**  trans-122.5100.6138.755.70000107.9D172S170-D172 PolarHBondContact O-N 3.4Å
171P46.6Very low46.6Very low97 Ų97114.3 Ų114.363%0.6367%0.667SS**  trans-82.4108.3162.131.1-22.4000106.7
172D34.8Very low43.9Very low143 Ų143117.3 Ų117.377%0.76568%0.681SS**  175.997.6127.7-82.3-16.7000111.1S170S170-D172 PolarHBondContact O-N 3.4Å
173T35.5Very low41.2Very low118 Ų118122 Ų12272%0.72470%0.697SS**  trans40.995.6133.152.40000118.8
174V33.9Very low38.8Very low135 Ų135126.7 Ų126.782%0.81872%0.723SS**  -132.2106.8122.9-177.80000108.5I176V174-I176 PolarHBondContact O-N 2.98Å; V174-I176 VanDerWaalsContact O-N 3.09Å
175T31.3Very low37.5Very low100 Ų100130.2 Ų130.261%0.61374%0.741SS**  trans-51105.7169.6-45.30000110.6H177T175-H177 VanDerWaalsContact C-N 3.28Å; T175-H177 WeakPolarHBondContact CG2-CD2 3.37Å; T175-H177 PolarHBondContact O-N 3.47Å; T175-H177 VanDerWaalsContact O-N 3.08Å
176I33.2Very low36.4Very low161 Ų161127.5 Ų127.583%0.82674%0.739SS**  trans-77.288.5160.1-57.9-173.3000106.4V174 A178V174-I176 PolarHBondContact O-N 2.98Å; V174-I176 VanDerWaalsContact O-N 3.09Å; I176-A178 PolarHBondContact O-N 3.49Å
177H36.3Very low35.6Very low161 Ų161129 Ų12975%0.74575%0.751SS**  trans-70.7111.7154.7-90.5-70.7000107.4T175 A179T175-H177 VanDerWaalsContact C-N 3.28Å; T175-H177 WeakPolarHBondContact CG2-CD2 3.37Å; T175-H177 PolarHBondContact O-N 3.47Å; T175-H177 VanDerWaalsContact O-N 3.08Å; H177-A179 PolarHBondContact O-N 3.33Å; H177-A179 VanDerWaalsContact O-N 3.15Å
178A38.1Very low35.2Very low99 Ų99127 Ų12782%0.81876%0.759SS**  trans-47.7115.1164.600000110.3I176I176-A178 PolarHBondContact O-N 3.49Å
179A32.6Very low34.6Very low88 Ų88125.2 Ų125.273%0.72776%0.761SS**  trans-139.7105.6161.800000107.9H177H177-A179 PolarHBondContact O-N 3.33Å; H177-A179 VanDerWaalsContact O-N 3.15Å
180T32.6Very low34.3Very low114 Ų114124.2 Ų124.270%0.69977%0.766SS**  trans-36.8131.7163.148.60000112.8Q182T180-Q182 PolarHBondContact O-N 3.2Å
181P36.4Very low34.1Very low112 Ų112125.7 Ų125.773%0.72777%0.77SS**  trans-77.499.6158.228.7-27.8000108.6F183P181-F183 HydrophobicContact CB-CD2 4.42Å; P181-F183 HydrophobicContact CB-CE2 4.29Å; P181-F183 PolarHBondContact O-N 2.94Å
182Q32.3Very low33.4Very low162 Ų162127.3 Ų127.376%0.75777%0.773SS**  trans-72.2103.3163.7-72.4-179.4-18.900108.4T180T180-Q182 PolarHBondContact O-N 3.2Å
183F29.4Very low33.4Very low190 Ų190128.4 Ų128.483%0.83378%0.778SS**  trans-89.3105.7159.7-80.6-81.8000108.6P181P181-F183 HydrophobicContact CB-CD2 4.42Å; P181-F183 HydrophobicContact CB-CE2 4.29Å; P181-F183 PolarHBondContact O-N 2.94Å
184I31.4Very low33.2Very low149 Ų149127 Ų12776%0.76477%0.77SS**  trans-86.1111.8164.2-65.4175.9000106.9G186I184-G186 PolarHBondContact O-N 3.22Å
185I36.4Very low33.1Very low170 Ų170127 Ų12787%0.87277%0.765SS**  trans-77.8112.8165-62.6172.7000106.8
186G31Very low33.2Very low55 Ų55130.2 Ų130.257%0.56777%0.773SS**  trans-121.7137.7170.600000110.1I184I184-G186 PolarHBondContact O-N 3.22Å
187P35.5Very low33Very low139 Ų139129 Ų12990%0.90377%0.774SS**  trans-82.1122.7-174.432.3-30.5000111
188G32Very low32.7Very low80 Ų80125.3 Ų125.383%0.82578%0.779SS**  trans106.6120.8157.800000116.7
189G31.8Very low32.3Very low78 Ų78127.2 Ų127.280%0.80478%0.78SS**  trans112111.5150.800000116.4
190V31.3Very low32.1Very low142 Ų142128.5 Ų128.586%0.86178%0.784SS**  trans-66.3143.2172.1-73.20000113.1
191V34.1Very low31.8Very low146 Ų146127.6 Ų127.689%0.88579%0.787SS**  trans-150.7112.9149.5-97.30000109.5
192N30.6Very low31.4Very low132 Ų132128.8 Ų128.871%0.70679%0.792SS**  trans-89135.7167.7-178.517.5000108
193L36.1Very low31.2Very low166 Ų166129.8 Ų129.887%0.86980%0.797SS**  trans-134.2103.8159.8-74.6172.7000108.2
194T31.8Very low31.1Very low89 Ų89130.8 Ų130.855%0.54680%0.801SS.*  trans-59.9165.7156.266.10000108.8
195D30.3Very low30.9Very low133 Ų133126.4 Ų126.471%0.71179%0.793SS**  cis-149.2173.312.7-73.6-71.4000104
196E33.9Very low30.6Very low168 Ų168125.6 Ų125.679%0.78579%0.791SS**  -176.1122.665.9-75.8-155.7169.500110.6
197T29.5Very low30.6Very low137 Ų137128.5 Ų128.584%0.8480%0.803SS**  trans48.8120.3134.4680000122.1
198G29.3Very low30.6Very low83 Ų83127.2 Ų127.286%0.85680%0.797SS**  trans-178.863.6158.300000113.1
199V30.3Very low31.1Very low139 Ų139130 Ų13084%0.84280%0.798SS**  trans-85.3138.6178.1-78.40000113.1
200S29.2Very low31.1Very low115 Ų115131.4 Ų131.480%0.80480%0.795SS**  trans172.494.7131.9-74.20000108.1
201A26.1Very low31.1Very low94 Ų94131.5 Ų131.578%0.77780%0.796SS**  66.4101.473.300000114.9
202V26.7Very low31Very low137 Ų137132.9 Ų132.983%0.8380%0.798SS**  trans-156.992.3140.2-1720000106.9
203Q28.3Very low31.2Very low183 Ų183130.7 Ų130.786%0.85580%0.798SS**  69.791.794.5-156.51593.400114.8
204F27.3Very low31.3Very low211 Ų211129 Ų12993%0.92579%0.794SS**  trans-98.4117.8156.1-97-86.5000108.9
205G27.6Very low31.1Very low58 Ų58133.1 Ų133.160%0.59881%0.812SS**  trans-85.8117.1173.900000111.9
206N31.1Very low31.1Very low152 Ų152131.8 Ų131.881%0.81382%0.82SS**  trans58.6112.8130.1-42.1-5.9000118.9
207S30.8Very low31.1Very low117 Ų117129 Ų12982%0.81883%0.825SS**  -169.9118.7111.8-77.10000112
208S35.3Very low31Very low112 Ų112130.5 Ų130.578%0.78383%0.827SS**  trans7.6133.8149.4-39.90000117.9
209T42.2Very low31Very low137 Ų137130.4 Ų130.484%0.8482%0.819SS**  cis-164.5143.947.531.60000111.2
210S32.3Very low31.1Very low108 Ų108133.1 Ų133.176%0.75582%0.822SS**  trans-79.9139.9-173.960.50000115.5
211V31Very low31.3Very low144 Ų144132.7 Ų132.787%0.87383%0.826SS**  trans-130.136161.3-163.20000111.2
212L32.2Very low31.4Very low176 Ų176134 Ų13492%0.92183%0.829SS**  trans-124.259.9175.5-88.4163.1000110.6
213A35.1Very low31.6Very low86 Ų86131.9 Ų131.971%0.71183%0.826SS**  trans-134.86317100000109.4
214T36.8Very low32.1Very low130 Ų130128.4 Ų128.480%0.79882%0.819SS**SBendtrans-160.1128.8159.4-22.40000108
215L28.1Very low31.9Very low175 Ų175125.8 Ų125.892%0.91681%0.814SS**SBendtrans95.267.8176.4-55.7156.5000116.8
216A31Very low31.9Very low105 Ų105127.4 Ų127.487%0.86882%0.816SS**  trans-177.679.8140.600000110.4
217A32.6Very low31.6Very low109 Ų109127.1 Ų127.190%0.90182%0.815SS**  trans-141.191.8162.400000107.6
218L28.5Very low31.4Very low169 Ų169126.8 Ų126.889%0.88581%0.813SS**  trans-113.4137.3172.1-178.965.5000107.6
219A29.4Very low31.1Very low82 Ų82126.1 Ų126.168%0.67881%0.808SS**  trans74.6111.7160.800000118.2
220E31.5Very low30.3Very low195 Ų195128.6 Ų128.691%0.91181%0.81SS**  161.1109.2105.4-88.1-171.2142.600110
221A32.9Very low30Very low107 Ų107129.6 Ų129.688%0.88481%0.812SS**  trans-162.7114.1147.900000109.6
222S28.8Very low30.4Very low121 Ų121127.9 Ų127.985%0.84680%0.804SS**  trans-75.8132177.1-62.90000112.8
223A30.6Very low30.1Very low93 Ų93125.4 Ų125.477%0.76980%0.795SS**  trans55.5165.6137.900000121.3
224P39.3Very low29.9Very low109 Ų109127.8 Ų127.871%0.70880%0.801SS**  cis-135.5-173.2-26.929.4-6.2000114
225L23.9Very low29.5Very low156 Ų156125 Ų12582%0.81779%0.791SS**  trans99117.6151.8-65.2170.4000121.5
226S26.4Very low29.6Very low92 Ų92122.4 Ų122.464%0.64378%0.782SS**  93.6112.7126.8-65.20000122.2
227N26Very low29.6Very low146 Ų146125 Ų12578%0.78178%0.776SS**  trans92.1122.3130.3-71.6-1.7000121.9
228S26.4Very low29.4Very low111 Ų111127.1 Ų127.178%0.77677%0.768SS**  trans58.7136.5145.2550000117
229S28.3Very low29.2Very low98 Ų98125 Ų12569%0.68576%0.762SS**  cis-176136.517.541.10000103.5
230E25.7Very low29.2Very low188 Ų188127.3 Ų127.388%0.87977%0.767SS**  166137.396.3-88.8-177.1129.200106.6
231T26Very low29Very low130 Ų130124.1 Ų124.180%0.79876%0.761SS**  trans-86.4-173.616652.50000110.4
232P39.8Very low28.8Very low108 Ų108124.1 Ų124.170%0.70176%0.761SS**  cis-123.8-171.8-16.616.111.4000109.9
233V25.7Very low28.6Very low123 Ų123127.3 Ų127.375%0.74576%0.762SS**  -176.8150.962.5-156.10000110
234V30.7Very low28.4Very low136 Ų136128.1 Ų128.182%0.82476%0.763SS**  trans76.3137.9159.8-163.50000116.8
235A29Very low28Very low71 Ų71128.5 Ų128.559%0.58776%0.763SS**  cis-178.1139.8-32.700000104.9
236T29Very low28.1Very low121 Ų121129 Ų12974%0.74277%0.766SS**  trans48.5138.5141.258.90000119.5
237E30.8Very low28.2Very low159 Ų159128 Ų12874%0.74377%0.771SS**  cis-175.8160.315.7-116.6-179.7-176.100109.7
238E28.3Very low28.3Very low155 Ų155126 Ų12672%0.72477%0.774SS**  trans54.1122146.6-60.3-158.1145.300121.6
239V25.5Very low28.3Very low125 Ų125128.4 Ų128.476%0.75878%0.777SS**  57.3113.772.5-177.70000110.6
240V29.7Very low28.3Very low129 Ų129132.2 Ų132.278%0.78278%0.784SS**  -164.3139.998.4159.70000110.3
241T25.5Very low28.3Very low129 Ų129131 Ų13179%0.79178%0.778SS**  trans-72.8147.1168.246.10000113.6
242A29.7Very low28.3Very low107 Ų107131.3 Ų131.388%0.88478%0.779SS**  trans-153.1133.4148.800000112.1
243E24.4Very low27.7Very low187 Ų187131.3 Ų131.387%0.87478%0.777SS**  trans-74.9147.1-177.8-66.5169.212900113.1
244S26.8Very low27.7Very low111 Ų111130.8 Ų130.878%0.77678%0.779SS**  62.3139.7113.5-146.40000116.3
245V30.5Very low27.9Very low116 Ų116129.6 Ų129.670%0.70378%0.777SS**  -170.515051.3-176.90000110.3
246D25.4Very low28Very low166 Ų166129.8 Ų129.889%0.88879%0.786SS**  trans52.1141.8152.1-76.4-10.6000126.4
247G28.3Very low28.8Very low73 Ų73128.2 Ų128.275%0.75379%0.794SS**  trans168.794.4147.900000114.1
248A27.9Very low29.1Very low102 Ų102128.9 Ų128.984%0.84380%0.797SS**  trans-59.4141.1-170.900000116.9
249I28.1Very low29.4Very low162 Ų162130.5 Ų130.583%0.83180%0.804SS**  trans-83.1124.9160.2-65.2175.3000107.9
250Q27.3Very low29.7Very low178 Ų178130.1 Ų130.183%0.83280%0.802SS**  trans-128.1110.6162.7-158.5103.264.700109.8
251Q25.5Very low29.8Very low164 Ų164130.4 Ų130.477%0.76680%0.798SS**  trans-81.2131.2167.9-177.4177.54.100108.9
252V26.3Very low30Very low135 Ų135130.2 Ų130.282%0.81880%0.797SS**  trans-128.8120.7160.5169.20000108.1
253V27.8Very low30.2Very low109 Ų109131.5 Ų131.566%0.66179%0.787SS**  trans-84.8141.2175.2156.10000109.8
254S26.3Very low30.5Very low111 Ų111128.8 Ų128.878%0.77678%0.783SS**  trans-162.5118.1139.7-83.20000112.6
255S34Very low30.9Very low111 Ų111128.8 Ų128.878%0.77678%0.778SS**  trans35.2127.5137.365.40000121.9
256G31.8Very low30.9Very low76 Ų76131 Ų13178%0.78479%0.786SS**  trans94.3116.5139.100000115.5Q258G256-Q258 PolarHBondContact O-N 3.48Å; G256-Q258 VanDerWaalsContact O-N 3.1Å
257G45.8Very low31.1Very low88 Ų88126 Ų12691%0.90777%0.774SS**  trans-67.1104.5172.900000111.7
258Q35.2Very low31.3Very low172 Ų172130.1 Ų130.180%0.80478%0.777SS**  trans-163106.9149-148.7144.521.900108.8G256 V260G256-Q258 PolarHBondContact O-N 3.48Å; G256-Q258 VanDerWaalsContact O-N 3.1Å; Q258-V260 HydrophobicContact CG-CG2 4.41Å; Q258-V260 PolarHBondContact O-N 3.16Å
259Q35.3Very low31.3Very low189 Ų189132.6 Ų132.688%0.88377%0.772SS**  trans-78.5101.9170.4-68.6-176.36.700108.2
260V31.3Very low31.5Very low117 Ų117132.2 Ų132.271%0.70977%0.77SS**  trans-93.5108169.1179.20000107.3Q258 T262Q258-V260 HydrophobicContact CG-CG2 4.41Å; Q258-V260 PolarHBondContact O-N 3.16Å; V260-T262 PolarHBondContact O-N 3.03Å
261I33.1Very low31.5Very low135 Ų135127.4 Ų127.469%0.69277%0.769SS**  trans-89.9102.4173.3-55.1175.4000107.9I263I261-I263 HydrophobicContact CG2-CD1 4.47Å; I261-I263 HydrophobicContact CG2-CG1 3.72Å; I261-I263 PolarHBondContact O-N 2.94Å
262T28.6Very low31.5Very low125 Ų125126 Ų12677%0.76777%0.767SS**  trans-76.4106.4162.314.90000108.8V260 V264V260-T262 PolarHBondContact O-N 3.03Å; T262-V264 PolarHBondContact O-N 3.48Å
263I34Very low31.6Very low135 Ų135126.8 Ų126.869%0.69277%0.765SS**  trans-90.8102.1169.8-43.6176.4000107.5I261 T265I261-I263 HydrophobicContact CG2-CD1 4.47Å; I261-I263 HydrophobicContact CG2-CG1 3.72Å; I261-I263 PolarHBondContact O-N 2.94Å; I263-T265 HydrophobicContact CG2-CG2 3.56Å
264V32.1Very low31.5Very low130 Ų130129.9 Ų129.979%0.78877%0.772SS**  trans-84.7104.2161.9178.80000106T262T262-V264 PolarHBondContact O-N 3.48Å
265T33.5Very low31.5Very low110 Ų110128.8 Ų128.868%0.67577%0.765SS**  trans-91.6112.2174.358.30000109.4I263I263-T265 HydrophobicContact CG2-CG2 3.56Å
266D30.6Very low31.4Very low162 Ų162131.2 Ų131.287%0.86677%0.767SS**  trans-130.8103.4155.9-97-19.4000109.5
267G30.3Very low31.7Very low62 Ų62132.3 Ų132.364%0.63976%0.761SS**  trans82.6104.214600000120.5
268I33.1Very low31.1Very low159 Ų159135.2 Ų135.282%0.81576%0.761SS**  65.2136.2128.5-59.8167000117
269Q27.2Very low31Very low155 Ų155133 Ų13372%0.72476%0.764SS**  cis-164.6148-1.2-117176.640.400108.5
270L32.8Very low30.9Very low153 Ų153127.8 Ų127.880%0.80176%0.761SS**  trans53.7127.8142.3-72.9157.8000122.8
271G25.9Very low31.1Very low77 Ų77129.1 Ų129.179%0.79476%0.763SS**  trans173.867.2159.700000116.2
272N26.2Very low31.3Very low136 Ų136126.7 Ų126.773%0.72777%0.771SS**  trans15.8121160.4-68.6-9.5000123.2
273L27.7Very low31.9Very low150 Ų150128.4 Ų128.479%0.78577%0.771SS**  73.8143.6126-75.6165.3000122.8
274H27Very low32Very low174 Ų174127.2 Ų127.281%0.80677%0.772SS**  trans108.3127.3167.2-6387.7000113.2
275S25.1Very low32.5Very low89 Ų89128.2 Ų128.262%0.62277%0.771SS**  cis-179120.4-1042.80000108.4
276I32.9Very low32.9Very low162 Ų162128.3 Ų128.383%0.83177%0.766SS**  trans62.5167.1142.2-31.9167.7000118.2
277P38.6Very low33.4Very low99 Ų99125.7 Ų125.764%0.64376%0.756SS**  -118.6162.1-81.734.3-18.6000113.9
278T32.3Very low33.8Very low148 Ų148127.3 Ų127.391%0.90875%0.753SS**  trans-148.194.4142.238.70000109.9
279S32.6Very low34.1Very low126 Ų126125.8 Ų125.888%0.88174%0.744SS**  trans-69.6142.8163.9-64.70000110
280G33.1Very low34.7Very low80 Ų80124.8 Ų124.883%0.82575%0.751SS**  trans140.718.6159.500000117.9
281I36.8Very low35.1Very low145 Ų145123.8 Ų123.874%0.74475%0.747SS**  trans-90.2115.3171.3-65.9174000109.4Q283I281-Q283 HydrophobicContact CG2-CB 3.68Å; I281-Q283 HydrophobicContact CG2-CG 4.03Å
282G35.9Very low36.2Very low84 Ų84123.2 Ų123.287%0.86674%0.741SS**  trans-98.764159.700000110.9
283Q41.3Very low36.6Very low161 Ų161123.9 Ų123.975%0.75274%0.74SS**  trans-128.6132.1172.7-63.2-172-4.200110I281I281-Q283 HydrophobicContact CG2-CB 3.68Å; I281-Q283 HydrophobicContact CG2-CG 4.03Å
284P37.2Very low37.3Very low110 Ų110124.2 Ų124.271%0.71474%0.738SS**PPolyproline II helixtrans-76.3139.7-17529.7-33.2000112.1
285I41.5Very low38Very low150 Ų150121 Ų12177%0.76973%0.73SS**PPolyproline II helixtrans-86.7129173.4-59.1171.6000108.5V287I285-V287 HydrophobicContact CG2-CG2 4.38Å
286I42.3Very low38.6Very low113 Ų113123.3 Ų123.358%0.57974%0.735SS**PPolyproline II helixtrans-101.6123.3175.3-58.7174.5000108.8
287V40.7Very low39Very low107 Ų107121 Ų12165%0.64873%0.728SS**  trans-108.8124.5173.6-175.60000108.5I285I285-V287 HydrophobicContact CG2-CG2 4.38Å
288T39.8Very low38.9Very low95 Ų95121.8 Ų121.858%0.58373%0.731SS**BIsolated β-bridgetrans-104.5128.1178.5-51.20000109.4
289M39.6Very low39Very low127 Ų127120.3 Ų120.363%0.62672%0.723SS**  trans-91.6159.2172.7-70.2-74.4-84.200110.8D291 G292M289-D291 PolarHBondContact O-N 2.93Å; M289-G292 PolarHBondContact O-N 3.04Å
290P39.3Very low39Very low134 Ų134118.5 Ų118.587%0.8772%0.717SS**THydrogen-bonded Turntrans-69.8-3-164.8-18.431.9000116.7
291D42Very low39.1Very low132 Ų132121 Ų12171%0.70672%0.716SS**THydrogen-bonded Turntrans-106.29.3-176.863.4-1.6000114.4M289M289-D291 PolarHBondContact O-N 2.93Å
292G47.3Very low38.9Very low66 Ų66121.4 Ų121.468%0.6872%0.72SS**SBendtrans81.914.9165.200000116M289M289-G292 PolarHBondContact O-N 3.04Å
293Q36Very low38.7Very low150 Ų150125.4 Ų125.470%0.70172%0.719SS**  trans-101.1121.2170.6-134.6174.96.200110.9
294Q41.5Very low38.1Very low157 Ų157122 Ų12273%0.73472%0.718SS**BIsolated β-bridgetrans-87129.8176-63.6179.230.700109.9
295V42.7Very low37.7Very low106 Ų106126 Ų12664%0.64273%0.728SS**  trans-123.3120.5172.1-1770000109.4T297V295-T297 HydrophobicContact CG1-CG2 4.4Å
296L36.3Very low37.2Very low138 Ų138127.2 Ų127.272%0.72373%0.73SS**  trans-82116.2176-163.490.9000108.9V298L296-V298 HydrophobicContact CD2-CG2 4.26Å
297T41.5Very low36.5Very low114 Ų114128.5 Ų128.570%0.69974%0.743SS**  trans-108.8109.8173.157.90000110.2V295V295-T297 HydrophobicContact CG1-CG2 4.4Å
298V37.6Very low36Very low115 Ų115129.1 Ų129.170%0.69775%0.747SS**PPolyproline II helixtrans-90.9130.5166.4-174.20000107.4L296 A300L296-V298 HydrophobicContact CD2-CG2 4.26Å; V298-A300 PolarHBondContact O-N 3.34Å
299P34.2Very low35.5Very low116 Ų116132.3 Ų132.375%0.75376%0.759SS**PPolyproline II helixtrans-68.8120.2173.926.5-30.1000109.7
300A31.9Very low35Very low89 Ų89131.2 Ų131.274%0.73676%0.764SS**PPolyproline II helixtrans-82.3126.4165.400000108.9V298V298-A300 PolarHBondContact O-N 3.34Å
301T35.3Very low34.5Very low133 Ų133134.5 Ų134.582%0.81677%0.767SS**  trans-140.291.4155.116.60000108.3
302D33.2Very low33.9Very low153 Ų153136.6 Ų136.682%0.81877%0.773SS**  trans31.9135.9135.2-62.6-26.3000122.8
303I32Very low34Very low167 Ų167138.2 Ų138.286%0.85677%0.771SS**  trans-78.7138176.2-51.6155.7000109.6
304A27.6Very low34.3Very low89 Ų89136.2 Ų136.274%0.73677%0.772SS**  trans-164.4105.1151.100000107.9
305E29.9Very low33.7Very low194 Ų194134.8 Ų134.891%0.90777%0.773SS**  87.6136.497.8-81.8-166.3172.900115
306E30.5Very low33.4Very low177 Ų177138.8 Ų138.883%0.82778%0.782SS**  trans-74.8129.3-172.7179.6-173.3-171.700111.9
307T26.8Very low33.2Very low139 Ų139143.5 Ų143.585%0.85379%0.79SS**  trans-147.4117157550000112.7
308V31.2Very low33Very low120 Ų120147.5 Ų147.573%0.72780%0.801SS**  trans-73.7126.3165.9171.30000110.3
309I30Very low32.7Very low163 Ų163148.2 Ų148.284%0.83681%0.81SS**  trans-148.9123.5149.4-56.1-177.3000109.9
310S28.3Very low32.9Very low103 Ų103148.6 Ų148.672%0.7280%0.804SS**  trans-84.4141.8164.8-57.90000111.5
311E29.3Very low32.9Very low203 Ų203151.3 Ų151.395%0.94980%0.802SS**  173.1136.9128.6-98.1-165.2162.500112.4
312E29.4Very low33.1Very low177 Ų177152.2 Ų152.283%0.82780%0.8SS**  trans-97.5-173.4177.1-114-160.3133.900111
313P48.4Very low33.6Very low99 Ų99150 Ų15064%0.64379%0.792SS**  cis-132.5-149.9-46.340.6-20.5000109.4
314P43.3Very low34Very low109 Ų109148.2 Ų148.271%0.70878%0.78SS**  cis-132.9172.3-10.138.4-19.3000115.6
315V28Very low34.4Very low126 Ų126149 Ų14976%0.76477%0.771SS**  178.4111.4128.5170.90000111.3
316K35.6Very low35.1Very low190 Ų190149.3 Ų149.383%0.82676%0.764SS**  trans47.698.5149-63.6175.4179.3177.60120.4
317R33.3Very low36Very low238 Ų238144.6 Ų144.690%0.89875%0.747SS**  trans-149.381.7131.3-73.4-163.1-179.61490.7110.8C319R317-C319 PolarHBondContact O-N 3.4Å
318Q37.3Very low37.1Very low197 Ų197143.8 Ų143.892%0.92173%0.734SS**THydrogen-bonded Turntrans-78.6102.4174.1-154.716719.200107.6
319C31.7Very low38.2Very low131 Ų131140.9 Ų140.989%0.88572%0.719SS**THydrogen-bonded Turntrans163.86.5151.5-88.60000116.6R317R317-C319 PolarHBondContact O-N 3.4Å
320I37.1Very low39.5Very low123 Ų123135.8 Ų135.863%0.63170%0.701SS**SBendtrans-117.8-16.7-176.5-62174000114.5I322I320-I322 PolarHBondContact O-N 2.96Å
321E33.2Very low40.9Very low147 Ų147136.5 Ų136.569%0.68769%0.693SS**Hα-helixtrans-86.8-7.8-163.4-144.2168.8-163.700116.4N325E321-N325 PolarHBondContact O-ND2 3.45Å
322I39.3Very low42.7Very low151 Ų151131.4 Ų131.477%0.77467%0.671SS**Hα-helixtrans-85.2-18-178-60.7175.2000112I320I320-I322 PolarHBondContact O-N 2.96Å
323V44.1Very low44.7Very low108 Ų108129.4 Ų129.466%0.65566%0.662SS**Hα-helixtrans-93.5-40.5-176.6-1780000111.7R326 V327V323-R326 PolarHBondContact O-N 3.07Å; V323-V327 WeakPolarHBondContact O-CG2 3.3Å; V323-V327 PolarHBondContact O-N 3.27Å
324E40Very low46.1Very low128 Ų128130.7 Ų130.760%0.59866%0.659SS**Hα-helixtrans-69.1-41-176.9-71.7177.1161.300112.9R326 V327 E328E324-R326 PolarHBondContact O-N 2.95Å; E324-R326 VanDerWaalsContact O-N 3.14Å; E324-V327 PolarHBondContact O-N 2.81Å; E324-E328 PolarHBondContact O-N 3.2Å
325N35.6Very low47.9Very low105 Ų105134.9 Ų134.956%0.56166%0.661SS**Hα-helixtrans-64-21.6176.8-84.3-57.2000114E321 S329E321-N325 PolarHBondContact O-ND2 3.45Å; N325-S329 PolarHBondContact O-OG 2.93Å
326R45.5Very low50.6Low202 Ų202135.1 Ų135.176%0.76265%0.654SS**Hα-helixtrans-89.9-20.2-176-139.2178.7-172-164.20.8113.1V323 E324V323-R326 PolarHBondContact O-N 3.07Å; E324-R326 PolarHBondContact O-N 2.95Å; E324-R326 VanDerWaalsContact O-N 3.14Å
327V49.3Very low53.2Low77 Ų77129.7 Ų129.747%0.46764%0.637SS.*Hα-helixtrans-87-43.1177.8178.20000109.9V323 E324 S329 A330 E331V323-V327 WeakPolarHBondContact O-CG2 3.3Å; V323-V327 PolarHBondContact O-N 3.27Å; E324-V327 PolarHBondContact O-N 2.81Å; V327-S329 PolarHBondContact O-N 3.39Å; V327-A330 PolarHBondContact O-N 3.39Å; V327-E331 WeakPolarHBondContact O-CG 3.49Å; V327-E331 PolarHBondContact O-N 3.49Å
328E49.3Very low55.9Low122 Ų122122.8 Ų122.857%0.5762%0.617SS**Hα-helixtrans-65-36.7177.1-72.8-175.1161.200113E324 A330 E331 I332E324-E328 PolarHBondContact O-N 3.2Å; E328-A330 PolarHBondContact O-N 3.49Å; E328-E331 PolarHBondContact O-N 2.99Å; E328-I332 WeakPolarHBondContact O-CB 3.4Å; E328-I332 VanDerWaalsContact O-CD1 3.29Å; E328-I332 WeakPolarHBondContact O-CD1 3.49Å; E328-I332 WeakPolarHBondContact O-CG1 3.42Å; E328-I332 PolarHBondContact O-N 3.08Å; E328-I332 VanDerWaalsContact O-N 3.07Å
329S53Low58.4Low59 Ų59118 Ų11841%0.41360%0.595SS.*Hα-helixtrans-70.4-30.6179.538.90000113.4N325 V327 E333N325-S329 PolarHBondContact O-OG 2.93Å; V327-S329 PolarHBondContact O-N 3.39Å; S329-E333 WeakPolarHBondContact O-CG 3.29Å; S329-E333 PolarHBondContact O-N 3.44Å
330A57.8Low61.3Low56 Ų56119.6 Ų119.646%0.46359%0.587SS.*Hα-helixtrans-74.4-39.2175.500000112.3V327 E328 E333 E334V327-A330 PolarHBondContact O-N 3.39Å; E328-A330 PolarHBondContact O-N 3.49Å; A330-E333 PolarHBondContact O-N 3.46Å; A330-E334 PolarHBondContact O-N 3.05Å
331E58.6Low64.1Low119 Ų119120 Ų12056%0.55659%0.586SS**Hα-helixtrans-70.7-32.9178.2-69.4178179.300112.6V327 E328 R335V327-E331 WeakPolarHBondContact O-CG 3.49Å; V327-E331 PolarHBondContact O-N 3.49Å; E328-E331 PolarHBondContact O-N 2.99Å; E331-R335 VanDerWaalsContact O-CB 3.3Å; E331-R335 WeakPolarHBondContact O-CB 3.25Å; E331-R335 PolarHBondContact O-N 3.31Å
332I66.1Low66.9Low95 Ų95117.3 Ų117.349%0.48758%0.576SS.*Hα-helixtrans-66.4-45.5173.7-68.6163.7000110.6E328 E334 R335 E336E328-I332 WeakPolarHBondContact O-CB 3.4Å; E328-I332 VanDerWaalsContact O-CD1 3.29Å; E328-I332 WeakPolarHBondContact O-CD1 3.49Å; E328-I332 WeakPolarHBondContact O-CG1 3.42Å; E328-I332 PolarHBondContact O-N 3.08Å; E328-I332 VanDerWaalsContact O-N 3.07Å; I332-E334 PolarHBondContact O-N 3.2Å; I332-R335 PolarHBondContact O-N 2.9Å; I332-E336 WeakPolarHBondContact O-CG 3.13Å; I332-E336 PolarHBondContact O-N 3.46Å
333E72Confident69.5Low136 Ų136114.3 Ų114.364%0.63656%0.561SS**Hα-helixtrans-63.1-42.4177.2-75.7-176.8-175.900111.7S329 A330 E336 T337S329-E333 WeakPolarHBondContact O-CG 3.29Å; S329-E333 PolarHBondContact O-N 3.44Å; A330-E333 PolarHBondContact O-N 3.46Å; E333-E336 PolarHBondContact O-N 3.36Å; E333-T337 WeakPolarHBondContact O-CG2 3.33Å; E333-T337 PolarHBondContact O-N 3.16Å
334E78.9Confident72Confident125 Ų125112.9 Ų112.958%0.58455%0.548SS*.Hα-helixtrans-62.6-45.9176.5-171.6174.9-177.300111.5A330 I332 E336 T337 L338A330-E334 PolarHBondContact O-N 3.05Å; I332-E334 PolarHBondContact O-N 3.2Å; E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.29Å; E334-T337 PolarHBondContact O-N 3.39Å; E334-T337 PolarHBondContact O-OG1 3.01Å; E334-L338 HydrophobicContact CG-CD1 4.23Å; E334-L338 WeakPolarHBondContact O-CG 3.37Å; E334-L338 PolarHBondContact O-N 3.47Å
335R79.4Confident74.6Confident197 Ų197109.4 Ų109.474%0.74354%0.54SS*.Hα-helixtrans-60.8-39.6176.7-172.8179.9179.2-173.40.3112.4E331 I332 L338 Q339E331-R335 VanDerWaalsContact O-CB 3.3Å; E331-R335 WeakPolarHBondContact O-CB 3.25Å; E331-R335 PolarHBondContact O-N 3.31Å; I332-R335 PolarHBondContact O-N 2.9Å; R335-L338 PolarHBondContact O-N 3.11Å; R335-Q339 VanDerWaalsContact O-CB 3.31Å; R335-Q339 WeakPolarHBondContact O-CB 3.23Å; R335-Q339 PolarHBondContact O-N 3.47Å
336E84.9Confident77.4Confident132 Ų132108.3 Ų108.362%0.61754%0.535SS*.Hα-helixtrans-65.9-39.9175.9-76.6-174.9178.200112.2I332 E333 E334 Q339 K340I332-E336 WeakPolarHBondContact O-CG 3.13Å; I332-E336 PolarHBondContact O-N 3.46Å; E333-E336 PolarHBondContact O-N 3.36Å; E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.29Å; E336-Q339 PolarHBondContact O-N 3.15Å; E336-K340 WeakPolarHBondContact O-CB 3.43Å; E336-K340 PolarHBondContact O-N 3.44Å
337T91.2Very high79.9Confident76 Ų76104.4 Ų104.447%0.46652%0.52SS..Hα-helixtrans-66.6-41.4176.364.80000112.2E333 E334 K340 Q341E333-T337 WeakPolarHBondContact O-CG2 3.33Å; E333-T337 PolarHBondContact O-N 3.16Å; E334-T337 PolarHBondContact O-N 3.39Å; E334-T337 PolarHBondContact O-OG1 3.01Å; T337-K340 PolarHBondContact O-N 3.4Å; T337-Q341 WeakPolarHBondContact O-CG 3.5Å; T337-Q341 PolarHBondContact O-N 3.18Å
338L89.7Confident82.2Confident93 Ų93104.9 Ų104.949%0.48752%0.517SS..Hα-helixtrans-65.3-42.3176.1-72.3172.9000111.5E334 R335 K340 Q341 L342E334-L338 HydrophobicContact CG-CD1 4.23Å; E334-L338 WeakPolarHBondContact O-CG 3.37Å; E334-L338 PolarHBondContact O-N 3.47Å; R335-L338 PolarHBondContact O-N 3.11Å; L338-K340 VanDerWaalsContact C-N 3.31Å; L338-K340 PolarHBondContact O-N 3.08Å; L338-Q341 PolarHBondContact O-N 3.38Å; L338-L342 WeakPolarHBondContact O-CB 3.36Å; L338-L342 PolarHBondContact O-N 3.17Å
339Q89.3Confident84.3Confident95 Ų95101.8 Ų101.844%0.44451%0.512SS..Hα-helixtrans-60.7-43.4175.3-17459.946.700111.1R335 E336 Q341 L342 D343R335-Q339 VanDerWaalsContact O-CB 3.31Å; R335-Q339 WeakPolarHBondContact O-CB 3.23Å; R335-Q339 PolarHBondContact O-N 3.47Å; E336-Q339 PolarHBondContact O-N 3.15Å; Q339-Q341 VanDerWaalsContact C-N 3.34Å; Q339-Q341 PolarHBondContact O-N 3.2Å; Q339-L342 WeakPolarHBondContact O-CB 3.39Å; Q339-L342 PolarHBondContact O-N 2.9Å; Q339-D343 PolarHBondContact NE2-OD1 3Å; Q339-D343 VanDerWaalsContact O-CG 3.32Å; Q339-D343 PolarHBondContact O-N 3.21Å
340K94.1Very high86.4Confident165 Ų165104.9 Ų104.972%0.71752%0.52SS*.Hα-helixtrans-64.2-37.6176.4-171.7177.2-178.5178.80112.6E336 T337 L338 E344E336-K340 WeakPolarHBondContact O-CB 3.43Å; E336-K340 PolarHBondContact O-N 3.44Å; T337-K340 PolarHBondContact O-N 3.4Å; L338-K340 VanDerWaalsContact C-N 3.31Å; L338-K340 PolarHBondContact O-N 3.08Å; K340-E344 WeakPolarHBondContact O-CB 3.14Å; K340-E344 PolarHBondContact O-N 3.11Å
341Q94.4Very high88.3Confident131 Ų131106.5 Ų106.561%0.61252%0.517SS*.Hα-helixtrans-66.8-41174.2-75.1-179.17.600111.9T337 L338 Q339 E344 A345T337-Q341 WeakPolarHBondContact O-CG 3.5Å; T337-Q341 PolarHBondContact O-N 3.18Å; L338-Q341 PolarHBondContact O-N 3.38Å; Q339-Q341 VanDerWaalsContact C-N 3.34Å; Q339-Q341 PolarHBondContact O-N 3.2Å; Q341-E344 PolarHBondContact O-N 3.3Å; Q341-A345 WeakPolarHBondContact O-CB 3.4Å; Q341-A345 PolarHBondContact O-N 3.4Å
342L92.3Very high90.1Very high92 Ų92107.2 Ų107.248%0.48252%0.515SS..Hα-helixtrans-61.6-44.4176.3-178.663.7000111.4L338 Q339 E344 A345 N346L338-L342 WeakPolarHBondContact O-CB 3.36Å; L338-L342 PolarHBondContact O-N 3.17Å; Q339-L342 WeakPolarHBondContact O-CB 3.39Å; Q339-L342 PolarHBondContact O-N 2.9Å; L342-E344 VanDerWaalsContact C-N 3.35Å; L342-E344 PolarHBondContact O-N 3Å; L342-A345 PolarHBondContact O-N 2.84Å; L342-N346 WeakPolarHBondContact O-CB 3.37Å; L342-N346 VanDerWaalsContact O-CG 3.29Å; L342-N346 PolarHBondContact O-N 3.31Å; L342-N346 PolarHBondContact O-ND2 2.96Å
343D94.9Very high91.5Very high88 Ų88112.1 Ų112.147%0.47153%0.528SS..Hα-helixtrans-66-38.4178.4-68.4-25.8000112Q339 N346 R347Q339-D343 PolarHBondContact NE2-OD1 3Å; Q339-D343 VanDerWaalsContact O-CG 3.32Å; Q339-D343 PolarHBondContact O-N 3.21Å; D343-N346 PolarHBondContact O-N 3.07Å; D343-R347 WeakPolarHBondContact O-CB 3.47Å; D343-R347 PolarHBondContact O-N 2.87Å
344E95.8Very high92.7Very high78 Ų78112.2 Ų112.236%0.36453%0.528SS..Hα-helixtrans-66.3-45.3175.1-176.955.8-146.500112K340 Q341 L342 N346 R347 E348K340-E344 WeakPolarHBondContact O-CB 3.14Å; K340-E344 PolarHBondContact O-N 3.11Å; Q341-E344 PolarHBondContact O-N 3.3Å; L342-E344 VanDerWaalsContact C-N 3.35Å; L342-E344 PolarHBondContact O-N 3Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.27Å; E344-R347 WeakPolarHBondContact O-CB 3.35Å; E344-R347 PolarHBondContact O-N 3.26Å; E344-R347 VanDerWaalsContact O-N 3.17Å; E344-R347 IonicContact OE1-CZ 2.73Å; E344-R347 VanDerWaalsContact OE1-CZ 3.26Å; E344-R347 IonicContact OE1-NE 2.67Å; E344-R347 PolarHBondContact OE1-NE 2.95Å; E344-R347 IonicContact OE1-NH2 3.12Å; E344-R347 PolarHBondContact OE1-NH2 3.44Å; E344-R347 IonicContact OE2-CZ 3.94Å; E344-R347 IonicContact OE2-NE 3.26Å; E344-R347 PolarHBondContact OE2-NE 3.33Å; E344-R347 IonicContact OE2-NH2 2.8Å; E344-R347 PolarHBondContact OE2-NH2 3.38Å; E344-E348 PolarHBondContact O-N 3.15Å
345A94.6Very high93.6Very high54 Ų54111.9 Ų111.945%0.44653%0.527SS..Hα-helixtrans-60.8-41.8175.900000111.5Q341 L342 R347 E348 A349Q341-A345 WeakPolarHBondContact O-CB 3.4Å; Q341-A345 PolarHBondContact O-N 3.4Å; L342-A345 PolarHBondContact O-N 2.84Å; A345-R347 PolarHBondContact O-N 3.38Å; A345-E348 PolarHBondContact O-N 3.07Å; A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.42Å
346N95.1Very high94.4Very high82 Ų82108.4 Ų108.444%0.43952%0.522SS..Hα-helixtrans-62.3-41.9174.6-79.2-32.6000112L342 D343 E344 E348 A349 Q350L342-N346 WeakPolarHBondContact O-CB 3.37Å; L342-N346 VanDerWaalsContact O-CG 3.29Å; L342-N346 PolarHBondContact O-N 3.31Å; L342-N346 PolarHBondContact O-ND2 2.96Å; D343-N346 PolarHBondContact O-N 3.07Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.27Å; N346-E348 VanDerWaalsContact C-N 3.35Å; N346-A349 PolarHBondContact O-N 3.44Å; N346-Q350 WeakPolarHBondContact O-CG 3.28Å; N346-Q350 PolarHBondContact O-N 3.47Å
347R97.2Very high95Very high121 Ų121106.6 Ų106.646%0.45752%0.516SS..Hα-helixtrans-63.5-40.4175.8-173.1178.571.1116.8-5.3111.8D343 E344 A345 Q350 K351D343-R347 WeakPolarHBondContact O-CB 3.47Å; D343-R347 PolarHBondContact O-N 2.87Å; E344-R347 WeakPolarHBondContact O-CB 3.35Å; E344-R347 PolarHBondContact O-N 3.26Å; E344-R347 VanDerWaalsContact O-N 3.17Å; E344-R347 IonicContact OE1-CZ 2.73Å; E344-R347 VanDerWaalsContact OE1-CZ 3.26Å; E344-R347 IonicContact OE1-NE 2.67Å; E344-R347 PolarHBondContact OE1-NE 2.95Å; E344-R347 IonicContact OE1-NH2 3.12Å; E344-R347 PolarHBondContact OE1-NH2 3.44Å; E344-R347 IonicContact OE2-CZ 3.94Å; E344-R347 IonicContact OE2-NE 3.26Å; E344-R347 PolarHBondContact OE2-NE 3.33Å; E344-R347 IonicContact OE2-NH2 2.8Å; E344-R347 PolarHBondContact OE2-NH2 3.38Å; A345-R347 PolarHBondContact O-N 3.38Å; R347-Q350 PolarHBondContact O-N 3.33Å; R347-K351 WeakPolarHBondContact O-CG 3.37Å; R347-K351 PolarHBondContact O-N 3.05Å
348E96.9Very high95.3Very high87 Ų87110.2 Ų110.241%0.40753%0.525SS..Hα-helixtrans-68.5-43.5177.3-157.6-175.6164.800111.7E344 A345 N346 Q350 K351 Y352E344-E348 PolarHBondContact O-N 3.15Å; A345-E348 PolarHBondContact O-N 3.07Å; N346-E348 VanDerWaalsContact C-N 3.35Å; E348-Q350 VanDerWaalsContact C-N 3.26Å; E348-Q350 PolarHBondContact O-N 2.96Å; E348-K351 WeakPolarHBondContact O-CB 3.45Å; E348-K351 PolarHBondContact O-N 2.96Å; E348-Y352 HydrophobicContact CG-CD2 4.13Å; E348-Y352 HydrophobicContact CG-CE2 3.66Å; E348-Y352 VanDerWaalsContact O-CD2 3.29Å; E348-Y352 WeakPolarHBondContact O-CD2 3.32Å; E348-Y352 PolarHBondContact O-N 3.09Å; E348-Y352 VanDerWaalsContact OE1-CE2 3.29Å; E348-Y352 WeakPolarHBondContact OE1-CE2 3.24Å; E348-Y352 PolarHBondContact OE1-OH 2.97Å
349A94.6Very high95.6Very high56 Ų56112 Ų11246%0.46353%0.529SS..Hα-helixtrans-57.4-39.6174.700000112.2A345 N346 Y352 R353A345-A349 WeakPolarHBondContact O-CB 3.29Å; A345-A349 PolarHBondContact O-N 3.42Å; N346-A349 PolarHBondContact O-N 3.44Å; A349-Y352 PolarHBondContact O-N 3.36Å; A349-R353 WeakPolarHBondContact O-CB 3.31Å; A349-R353 PolarHBondContact O-N 3.34Å
350Q96.2Very high96Very high124 Ų124113.4 Ų113.458%0.57954%0.536SS*.Hα-helixtrans-63.7-39.8174-73.3176.65.200112.6N346 R347 E348 R353 Q354N346-Q350 WeakPolarHBondContact O-CG 3.28Å; N346-Q350 PolarHBondContact O-N 3.47Å; R347-Q350 PolarHBondContact O-N 3.33Å; E348-Q350 VanDerWaalsContact C-N 3.26Å; E348-Q350 PolarHBondContact O-N 2.96Å; Q350-R353 WeakPolarHBondContact O-CB 3.35Å; Q350-R353 PolarHBondContact O-N 2.91Å; Q350-Q354 WeakPolarHBondContact O-CG 3.41Å; Q350-Q354 PolarHBondContact O-N 2.83Å
351K97.5Very high96.1Very high91 Ų91111.3 Ų111.340%0.39653%0.528SS..Hα-helixtrans-62.5-44.9175.2-69.2172.9-174.2168.80111.3R347 E348 R353 Q354 Q355R347-K351 WeakPolarHBondContact O-CG 3.37Å; R347-K351 PolarHBondContact O-N 3.05Å; E348-K351 WeakPolarHBondContact O-CB 3.45Å; E348-K351 PolarHBondContact O-N 2.96Å; K351-R353 VanDerWaalsContact C-N 3.32Å; K351-R353 PolarHBondContact O-N 3.19Å; K351-Q354 PolarHBondContact O-N 3.15Å; K351-Q355 WeakPolarHBondContact O-CG 3.4Å; K351-Q355 PolarHBondContact O-N 3.42Å
352Y96.1Very high96.2Very high134 Ų134108.9 Ų108.953%0.52552%0.517SS..Hα-helixtrans-61.8-41.3175.8-75.7-63.7000112E348 A349 Q354 Q355 L356E348-Y352 HydrophobicContact CG-CD2 4.13Å; E348-Y352 HydrophobicContact CG-CE2 3.66Å; E348-Y352 VanDerWaalsContact O-CD2 3.29Å; E348-Y352 WeakPolarHBondContact O-CD2 3.32Å; E348-Y352 PolarHBondContact O-N 3.09Å; E348-Y352 VanDerWaalsContact OE1-CE2 3.29Å; E348-Y352 WeakPolarHBondContact OE1-CE2 3.24Å; E348-Y352 PolarHBondContact OE1-OH 2.97Å; A349-Y352 PolarHBondContact O-N 3.36Å; Y352-Q354 VanDerWaalsContact C-N 3.3Å; Y352-Q354 PolarHBondContact O-N 3.43Å; Y352-Q355 PolarHBondContact O-N 3.48Å; Y352-L356 WeakPolarHBondContact O-CB 3.41Å; Y352-L356 PolarHBondContact O-N 3.26Å
353R96.1Very high96.4Very high198 Ų198107.3 Ų107.375%0.74752%0.517SS*.Hα-helixtrans-58.7-41.6175.2-172.8175.2-179.4139.30.8112.1A349 Q350 K351 L356 L357A349-R353 WeakPolarHBondContact O-CB 3.31Å; A349-R353 PolarHBondContact O-N 3.34Å; Q350-R353 WeakPolarHBondContact O-CB 3.35Å; Q350-R353 PolarHBondContact O-N 2.91Å; K351-R353 VanDerWaalsContact C-N 3.32Å; K351-R353 PolarHBondContact O-N 3.19Å; R353-L356 PolarHBondContact O-N 3.42Å; R353-L357 WeakPolarHBondContact O-CB 3.4Å; R353-L357 PolarHBondContact O-N 3.44Å
354Q97.5Very high96.5Very high137 Ų137107 Ų10764%0.6451%0.513SS*.Hα-helixtrans-67.3-40.7175.9-69.8177.59.600112.4Q350 K351 Y352 L356 L357 K358Q350-Q354 WeakPolarHBondContact O-CG 3.41Å; Q350-Q354 PolarHBondContact O-N 2.83Å; K351-Q354 PolarHBondContact O-N 3.15Å; Y352-Q354 VanDerWaalsContact C-N 3.3Å; Y352-Q354 PolarHBondContact O-N 3.43Å; Q354-L356 VanDerWaalsContact C-N 3.34Å; Q354-L357 PolarHBondContact O-N 3.32Å; Q354-K358 PolarHBondContact O-N 2.97Å
355Q97.3Very high96.5Very high119 Ų119106 Ų10656%0.55652%0.518SS*.Hα-helixtrans-62.8-42.8175.7-73.2-178.45.200111.7K351 Y352 K358 K359K351-Q355 WeakPolarHBondContact O-CG 3.4Å; K351-Q355 PolarHBondContact O-N 3.42Å; Y352-Q355 PolarHBondContact O-N 3.48Å; Q355-K358 PolarHBondContact O-N 3.39Å; Q355-K359 PolarHBondContact O-N 3.31Å
356L97.3Very high96.6Very high124 Ų124109.9 Ų109.965%0.64952%0.522SS*.Hα-helixtrans-61.2-47.9176.8-173.868.7000111Y352 R353 Q354 K358 K359 E360Y352-L356 WeakPolarHBondContact O-CB 3.41Å; Y352-L356 PolarHBondContact O-N 3.26Å; R353-L356 PolarHBondContact O-N 3.42Å; Q354-L356 VanDerWaalsContact C-N 3.34Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 2.98Å; L356-K359 PolarHBondContact O-N 2.95Å; L356-K359 VanDerWaalsContact O-N 3.1Å; L356-E360 PolarHBondContact O-N 3.31Å
357L97Very high96.6Very high93 Ų93113 Ų11349%0.48753%0.528SS..Hα-helixtrans-58.6-40.9177.2-172.174.4000111.8R353 Q354 K359 E360 Q361R353-L357 WeakPolarHBondContact O-CB 3.4Å; R353-L357 PolarHBondContact O-N 3.44Å; Q354-L357 PolarHBondContact O-N 3.32Å; L357-K359 VanDerWaalsContact C-N 3.34Å; L357-K359 PolarHBondContact O-N 2.92Å; L357-E360 PolarHBondContact O-N 2.93Å; L357-Q361 WeakPolarHBondContact O-CG 3.12Å; L357-Q361 PolarHBondContact O-N 3Å
358K97.3Very high96.5Very high153 Ų153112.6 Ų112.667%0.66553%0.531SS*.Hα-helixtrans-64.8-39.9177-171177.1-178.9179.20111.8Q354 Q355 L356 Q361 E362Q354-K358 PolarHBondContact O-N 2.97Å; Q355-K358 PolarHBondContact O-N 3.39Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 2.98Å; K358-Q361 PolarHBondContact O-N 3.38Å; K358-E362 WeakPolarHBondContact O-CB 3.39Å; K358-E362 PolarHBondContact O-N 2.87Å
359K96.6Very high96.4Very high131 Ų131115.3 Ų115.357%0.5754%0.541SS*.Hα-helixtrans-67.8-36.7176.3-77-74.4166.1-159.40112.1Q355 L356 L357 E362 A363Q355-K359 PolarHBondContact O-N 3.31Å; L356-K359 PolarHBondContact O-N 2.95Å; L356-K359 VanDerWaalsContact O-N 3.1Å; L357-K359 VanDerWaalsContact C-N 3.34Å; L357-K359 PolarHBondContact O-N 2.92Å; K359-E362 IonicContact NZ-OE2 2.62Å; K359-E362 PolarHBondContact NZ-OE2 2.98Å; K359-E362 PolarHBondContact O-N 2.9Å; K359-A363 WeakPolarHBondContact O-CB 3.21Å; K359-A363 PolarHBondContact O-N 3.39Å
360E96.4Very high96.3Very high123 Ų123118.2 Ų118.258%0.57555%0.548SS*.Hα-helixtrans-64.3-46.5174.1-173.7174.4-162.800111.6L356 L357 E362 A363 E364L356-E360 PolarHBondContact O-N 3.31Å; L357-E360 PolarHBondContact O-N 2.93Å; E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 3.18Å; E360-A363 PolarHBondContact O-N 3.25Å; E360-E364 WeakPolarHBondContact O-CB 3.19Å; E360-E364 PolarHBondContact O-N 3.46Å
361Q96.8Very high96.2Very high121 Ų121116.6 Ų116.657%0.56554%0.541SS*.Hα-helixtrans-61.4-40.6174.6-72.9178.4-7.500112.5L357 K358 E364 A365L357-Q361 WeakPolarHBondContact O-CG 3.12Å; L357-Q361 PolarHBondContact O-N 3Å; K358-Q361 PolarHBondContact O-N 3.38Å; Q361-E364 PolarHBondContact O-N 3.04Å; Q361-A365 WeakPolarHBondContact O-CB 3.49Å; Q361-A365 PolarHBondContact O-N 3.31Å
362E97.1Very high95.9Very high81 Ų81114.6 Ų114.638%0.37954%0.542SS..Hα-helixtrans-61.2-47.8175-176.5178.8-171.100110.7K358 K359 E360 E364 A365 Y366K358-E362 WeakPolarHBondContact O-CB 3.39Å; K358-E362 PolarHBondContact O-N 2.87Å; K359-E362 IonicContact NZ-OE2 2.62Å; K359-E362 PolarHBondContact NZ-OE2 2.98Å; K359-E362 PolarHBondContact O-N 2.9Å; E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 3.18Å; E362-E364 VanDerWaalsContact C-N 3.31Å; E362-E364 PolarHBondContact O-N 2.89Å; E362-A365 PolarHBondContact O-N 3Å; E362-Y366 HydrophobicContact CG-CD2 4Å; E362-Y366 HydrophobicContact CG-CE2 3.72Å; E362-Y366 WeakPolarHBondContact O-CD2 3.35Å; E362-Y366 PolarHBondContact O-N 3Å
363A95.9Very high95.6Very high59 Ų59113.8 Ų113.849%0.48854%0.544SS..Hα-helixtrans-61.1-39.517700000112.3K359 E360 Y366 R367K359-A363 WeakPolarHBondContact O-CB 3.21Å; K359-A363 PolarHBondContact O-N 3.39Å; E360-A363 PolarHBondContact O-N 3.25Å; A363-Y366 PolarHBondContact O-N 3.4Å; A363-R367 PolarHBondContact O-N 2.79Å
364E96.8Very high95.2Very high82 Ų82109.3 Ų109.338%0.38354%0.535SS..Hα-helixtrans-66.9-40.5176.1-179.4162-145.700112.4E360 Q361 E362 Y366 R367 Q368E360-E364 WeakPolarHBondContact O-CB 3.19Å; E360-E364 PolarHBondContact O-N 3.46Å; Q361-E364 PolarHBondContact O-N 3.04Å; E362-E364 VanDerWaalsContact C-N 3.31Å; E362-E364 PolarHBondContact O-N 2.89Å; E364-Y366 VanDerWaalsContact C-N 3.3Å; E364-Y366 PolarHBondContact O-N 2.97Å; E364-R367 WeakPolarHBondContact O-CB 3.29Å; E364-R367 PolarHBondContact O-N 3.2Å; E364-R367 VanDerWaalsContact O-N 3.15Å; E364-R367 IonicContact OE1-CZ 3.21Å; E364-R367 IonicContact OE1-NH2 2.65Å; E364-R367 PolarHBondContact OE1-NH2 3.35Å; E364-Q368 WeakPolarHBondContact O-CG 3.46Å; E364-Q368 PolarHBondContact O-N 2.93Å
365A96.3Very high94.6Very high56 Ų56110 Ų11046%0.46353%0.532SS..Hα-helixtrans-61.5-40.417400000111.5Q361 E362 Q368 K369Q361-A365 WeakPolarHBondContact O-CB 3.49Å; Q361-A365 PolarHBondContact O-N 3.31Å; E362-A365 PolarHBondContact O-N 3Å; A365-Q368 PolarHBondContact O-N 2.76Å; A365-K369 WeakPolarHBondContact O-CB 3.49Å; A365-K369 PolarHBondContact O-N 3.22Å
366Y96.2Very high93.9Very high135 Ų135110.2 Ų110.253%0.52954%0.536SS..Hα-helixtrans-62.2-43.8172.5-83-70.5000112.1E362 A363 E364 Q368 K369 L370E362-Y366 HydrophobicContact CG-CD2 4Å; E362-Y366 HydrophobicContact CG-CE2 3.72Å; E362-Y366 WeakPolarHBondContact O-CD2 3.35Å; E362-Y366 PolarHBondContact O-N 3Å; A363-Y366 PolarHBondContact O-N 3.4Å; E364-Y366 VanDerWaalsContact C-N 3.3Å; E364-Y366 PolarHBondContact O-N 2.97Å; Y366-Q368 PolarHBondContact O-N 3.08Å; Y366-K369 PolarHBondContact O-N 3Å; Y366-L370 PolarHBondContact O-N 3.03Å
367R95.7Very high93Very high148 Ų148109.6 Ų109.656%0.55853%0.53SS*.Hα-helixtrans-58.4-48176.3-177.5179.166.6-165.61.1111.7A363 E364 K369 L370 E371A363-R367 PolarHBondContact O-N 2.79Å; E364-R367 WeakPolarHBondContact O-CB 3.29Å; E364-R367 PolarHBondContact O-N 3.2Å; E364-R367 VanDerWaalsContact O-N 3.15Å; E364-R367 IonicContact OE1-CZ 3.21Å; E364-R367 IonicContact OE1-NH2 2.65Å; E364-R367 PolarHBondContact OE1-NH2 3.35Å; R367-K369 VanDerWaalsContact C-N 3.33Å; R367-K369 PolarHBondContact O-N 2.8Å; R367-L370 WeakPolarHBondContact O-CB 3.23Å; R367-L370 PolarHBondContact O-N 3.5Å; R367-E371 PolarHBondContact O-N 3.03Å
368Q95.4Very high91.9Very high112 Ų112108.4 Ų108.452%0.52353%0.526SS..Hα-helixtrans-63.5-39.3177.9-69.8178.99.400112E364 A365 Y366 E371 A372E364-Q368 WeakPolarHBondContact O-CG 3.46Å; E364-Q368 PolarHBondContact O-N 2.93Å; A365-Q368 PolarHBondContact O-N 2.76Å; Y366-Q368 PolarHBondContact O-N 3.08Å; Q368-E371 PolarHBondContact O-N 3.47Å; Q368-A372 WeakPolarHBondContact O-CB 3.16Å; Q368-A372 PolarHBondContact O-N 2.97Å
369K95.3Very high90.7Very high144 Ų144106.3 Ų106.363%0.62652%0.523SS*.Hα-helixtrans-64.3-41.2176.6-172176.7-178.8179.70112.1A365 Y366 R367 A372 M373A365-K369 WeakPolarHBondContact O-CB 3.49Å; A365-K369 PolarHBondContact O-N 3.22Å; Y366-K369 PolarHBondContact O-N 3Å; R367-K369 VanDerWaalsContact C-N 3.33Å; R367-K369 PolarHBondContact O-N 2.8Å; K369-A372 PolarHBondContact O-N 3.48Å; K369-M373 PolarHBondContact O-N 3.24Å
370L92.7Very high89.4Confident117 Ų117108.5 Ų108.561%0.61353%0.532SS*.Hα-helixtrans-61.8-45173.2-83.9154000111.2Y366 R367 M373 N374Y366-L370 PolarHBondContact O-N 3.03Å; R367-L370 WeakPolarHBondContact O-CB 3.23Å; R367-L370 PolarHBondContact O-N 3.5Å; L370-M373 PolarHBondContact O-N 3.32Å; L370-N374 PolarHBondContact O-N 3.47Å
371E93.1Very high87.9Confident91 Ų91109.6 Ų109.643%0.42554%0.537SS..Hα-helixtrans-64.1-41.6178.3-166.1-177.3168.600112.2R367 Q368 M373 N374 R375R367-E371 PolarHBondContact O-N 3.03Å; Q368-E371 PolarHBondContact O-N 3.47Å; E371-M373 PolarHBondContact O-N 3.07Å; E371-N374 PolarHBondContact O-N 2.82Å; E371-R375 WeakPolarHBondContact O-CG 3.48Å; E371-R375 PolarHBondContact O-N 3.08Å; E371-R375 IonicContact OE1-CZ 3.38Å; E371-R375 IonicContact OE1-NE 3.38Å; E371-R375 PolarHBondContact OE1-NE 2.82Å; E371-R375 IonicContact OE1-NH2 2.68Å; E371-R375 PolarHBondContact OE1-NH2 3.22Å
372A91.4Very high86.1Confident49 Ų49107.9 Ų107.941%0.40554%0.544SS..Hα-helixtrans-63.2-40.7175.800000112.3Q368 K369 N374 R375 L376Q368-A372 WeakPolarHBondContact O-CB 3.16Å; Q368-A372 PolarHBondContact O-N 2.97Å; K369-A372 PolarHBondContact O-N 3.48Å; A372-N374 VanDerWaalsContact C-N 3.34Å; A372-R375 PolarHBondContact O-N 2.97Å; A372-L376 WeakPolarHBondContact O-CG 3.09Å; A372-L376 PolarHBondContact O-N 3.03Å
373M88.8Confident83.9Confident116 Ų116112.7 Ų112.757%0.57158%0.578SS**Hα-helixtrans-62-43.7174.4-173.2-176.7-63.800111.1K369 L370 E371 L376 Q377K369-M373 PolarHBondContact O-N 3.24Å; L370-M373 PolarHBondContact O-N 3.32Å; E371-M373 PolarHBondContact O-N 3.07Å; M373-L376 PolarHBondContact O-N 3.47Å; M373-Q377 PolarHBondContact O-N 3.37Å; M373-Q377 VanDerWaalsContact O-N 3.09Å
374N88.6Confident83.3Confident105 Ų105115.4 Ų115.456%0.56158%0.583SS**Hα-helixtrans-64.2-44.6178.4-160.52.7000111.5L370 E371 A372 L376 Q377 T378L370-N374 PolarHBondContact O-N 3.47Å; E371-N374 PolarHBondContact O-N 2.82Å; A372-N374 VanDerWaalsContact C-N 3.34Å; N374-L376 VanDerWaalsContact C-N 3.33Å; N374-L376 PolarHBondContact O-N 2.7Å; N374-Q377 WeakPolarHBondContact O-CB 3.33Å; N374-Q377 PolarHBondContact O-N 2.93Å; N374-Q377 VanDerWaalsContact O-N 3.07Å; N374-T378 PolarHBondContact O-N 3.38Å; N374-T378 PolarHBondContact O-OG1 3.02Å
375R85.6Confident82.6Confident151 Ų151117.2 Ų117.257%0.5759%0.593SS**Hα-helixtrans-60.4-38.1175.5-72.1178.8-173.9-168.32.9113.2E371 A372 Q377 T378 N379E371-R375 WeakPolarHBondContact O-CG 3.48Å; E371-R375 PolarHBondContact O-N 3.08Å; E371-R375 IonicContact OE1-CZ 3.38Å; E371-R375 IonicContact OE1-NE 3.38Å; E371-R375 PolarHBondContact OE1-NE 2.82Å; E371-R375 IonicContact OE1-NH2 2.68Å; E371-R375 PolarHBondContact OE1-NH2 3.22Å; A372-R375 PolarHBondContact O-N 2.97Å; R375-Q377 VanDerWaalsContact C-N 3.3Å; R375-T378 WeakPolarHBondContact CA-OG1 3.43Å; R375-T378 PolarHBondContact O-OG1 3.44Å; R375-N379 WeakPolarHBondContact O-CB 3.36Å; R375-N379 PolarHBondContact O-N 3.42Å; R375-N379 VanDerWaalsContact O-N 3.1Å; R375-N379 PolarHBondContact O-ND2 3.29Å
376L82.3Confident81.8Confident123 Ų123120.6 Ų120.664%0.64460%0.6SS**Hα-helixtrans-67.1-33.8175.2-75.1169.5000112A372 M373 N374 K380A372-L376 WeakPolarHBondContact O-CG 3.09Å; A372-L376 PolarHBondContact O-N 3.03Å; M373-L376 PolarHBondContact O-N 3.47Å; N374-L376 VanDerWaalsContact C-N 3.33Å; N374-L376 PolarHBondContact O-N 2.7Å; L376-K380 PolarHBondContact O-N 3.23Å
377Q77.8Confident81Confident111 Ų111119.7 Ų119.752%0.51961%0.605SS.*Hα-helixtrans-72.4-45.3177.5-170.3147.6-14.600111.8M373 N374 R375 N379 K380 E381M373-Q377 PolarHBondContact O-N 3.37Å; M373-Q377 VanDerWaalsContact O-N 3.09Å; N374-Q377 WeakPolarHBondContact O-CB 3.33Å; N374-Q377 PolarHBondContact O-N 2.93Å; N374-Q377 VanDerWaalsContact O-N 3.07Å; R375-Q377 VanDerWaalsContact C-N 3.3Å; Q377-N379 VanDerWaalsContact C-N 3.29Å; Q377-N379 PolarHBondContact O-N 3Å; Q377-K380 WeakPolarHBondContact O-CB 3.43Å; Q377-K380 PolarHBondContact O-N 3.29Å; Q377-K380 VanDerWaalsContact O-N 3.09Å; Q377-E381 PolarHBondContact O-N 2.61Å; Q377-E381 VanDerWaalsContact O-N 3.15Å
378T74.4Confident80.1Confident68 Ų68117.9 Ų117.942%0.41761%0.608SS.*Hα-helixtrans-62-36175.3560000112.5N374 R375 K380 E381 A382N374-T378 PolarHBondContact O-N 3.38Å; N374-T378 PolarHBondContact O-OG1 3.02Å; R375-T378 WeakPolarHBondContact CA-OG1 3.43Å; R375-T378 PolarHBondContact O-OG1 3.44Å; T378-K380 VanDerWaalsContact C-N 3.33Å; T378-E381 PolarHBondContact O-N 3.1Å; T378-A382 PolarHBondContact O-N 3.14Å
379N71.9Confident79.1Confident110 Ų110118.3 Ų118.359%0.58861%0.613SS**Hα-helixtrans-73.2-24.6176.5-71.8-6.1000113.1R375 Q377R375-N379 WeakPolarHBondContact O-CB 3.36Å; R375-N379 PolarHBondContact O-N 3.42Å; R375-N379 VanDerWaalsContact O-N 3.1Å; R375-N379 PolarHBondContact O-ND2 3.29Å; Q377-N379 VanDerWaalsContact C-N 3.29Å; Q377-N379 PolarHBondContact O-N 3Å
380K68.4Low77.9Confident177 Ų177116.5 Ų116.577%0.7761%0.612SS**Hα-helixtrans-76.6-27.1173.5-113-178177.9-178.40113L376 Q377 T378 A382L376-K380 PolarHBondContact O-N 3.23Å; Q377-K380 WeakPolarHBondContact O-CB 3.43Å; Q377-K380 PolarHBondContact O-N 3.29Å; Q377-K380 VanDerWaalsContact O-N 3.09Å; T378-K380 VanDerWaalsContact C-N 3.33Å; K380-A382 VanDerWaalsContact C-N 3.33Å
381E66.4Low76.8Confident146 Ų146116.5 Ų116.568%0.68261%0.612SS**Hα-helixtrans-83.6-12177.2-69.3172.5-174.600112.6Q377 T378Q377-E381 PolarHBondContact O-N 2.61Å; Q377-E381 VanDerWaalsContact O-N 3.15Å; T378-E381 PolarHBondContact O-N 3.1Å
382A58.1Low75.4Confident85 Ų85118.6 Ų118.670%0.70263%0.628SS**  trans-98.90.4-179.200000114.8T378 K380T378-A382 PolarHBondContact O-N 3.14Å; K380-A382 VanDerWaalsContact C-N 3.33Å
383V51Low73.9Confident182 Ų182124.9 Ų124.9100%1.10365%0.648SS**  trans-1140173.4179.60000108.3

Retrieved 383 of 383 residues in 651.2 ms (Link to these results)

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