A0A096N3S9_PAPAN Loading...

GA binding protein transcription factor subunit beta 2

AlphaFold DB , UniProt , Accession A0A096N3S9, Species PAPAN (Papio anubis, Olive baboon), Gene GABPB2, Length 410 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
1M67.8Low89.9Confident139 Ų13969.8 Ų69.869%0.68535%0.349SS*.  0134.10-175167.9171.500106.9D5 L6 R9M1-D5 HydrophobicContact CE-CB 3.86Å; M1-D5 WeakPolarHBondContact CE-O 3.49Å; M1-D5 HydrophobicContact CG-CB 3.9Å; M1-L6 HydrophobicContact CE-CB 4.35Å; M1-L6 HydrophobicContact CE-CD1 3.88Å; M1-L6 HydrophobicContact SD-CD1 4.07Å; M1-R9 HydrophobicContact CE-CB 4.37Å; M1-R9 HydrophobicContact CE-CG 3.81Å
2S88.1Confident90.5Very high54 Ų5468.8 Ų68.838%0.37834%0.343SS..  trans-78.3158.5-177.578.60000111.4V4 D5 L6S2-V4 PolarHBondContact O-N 3.22Å; S2-V4 PolarHBondContact OG-N 3.48Å; S2-D5 VanDerWaalsContact CB-OD2 3.25Å; S2-D5 WeakPolarHBondContact CB-OD2 3.31Å; S2-D5 PolarHBondContact N-OD2 3.09Å; S2-D5 PolarHBondContact O-N 3.4Å; S2-D5 VanDerWaalsContact O-N 3.15Å; S2-D5 PolarHBondContact OG-N 3.31Å; S2-D5 VanDerWaalsContact OG-N 3.08Å; S2-D5 PolarHBondContact OG-OD2 3.18Å; S2-L6 PolarHBondContact O-N 3.47Å
3L86.9Confident91Very high113 Ų11363.5 Ų63.559%0.59232%0.316SS*.Hα-helixtrans-60.6-29.7175.1-156.275.8000111.7L6 G7 P31L3-L6 PolarHBondContact O-N 3.1Å; L3-G7 PolarHBondContact O-N 3.49Å; L3-P31 HydrophobicContact CD2-CG 4.31Å; L3-P31 HydrophobicContact CG-CG 3.89Å
4V88.6Confident91.4Very high88 Ų8859 Ų5953%0.53329%0.294SS..Hα-helixtrans-70.8-41.7175.4178.50000111.5S2 L6 G7 K8S2-V4 PolarHBondContact O-N 3.22Å; S2-V4 PolarHBondContact OG-N 3.48Å; V4-L6 VanDerWaalsContact C-N 3.27Å; V4-L6 PolarHBondContact O-N 3.36Å; V4-G7 PolarHBondContact O-N 3.24Å; V4-K8 HydrophobicContact CG1-CD 4.31Å; V4-K8 WeakPolarHBondContact O-CB 3.31Å; V4-K8 VanDerWaalsContact O-CG 3.29Å; V4-K8 WeakPolarHBondContact O-CG 3.41Å; V4-K8 PolarHBondContact O-N 3.44Å
5D91.6Very high91.7Very high69 Ų6962.6 Ų62.637%0.36930%0.303SS..Hα-helixtrans-66.2-34.5175.4-52.4-46.5000111.3M1 S2 K8 R9M1-D5 HydrophobicContact CE-CB 3.86Å; M1-D5 WeakPolarHBondContact CE-O 3.49Å; M1-D5 HydrophobicContact CG-CB 3.9Å; S2-D5 VanDerWaalsContact CB-OD2 3.25Å; S2-D5 WeakPolarHBondContact CB-OD2 3.31Å; S2-D5 PolarHBondContact N-OD2 3.09Å; S2-D5 PolarHBondContact O-N 3.4Å; S2-D5 VanDerWaalsContact O-N 3.15Å; S2-D5 PolarHBondContact OG-N 3.31Å; S2-D5 VanDerWaalsContact OG-N 3.08Å; S2-D5 PolarHBondContact OG-OD2 3.18Å; D5-K8 PolarHBondContact O-N 3.37Å; D5-R9 PolarHBondContact O-N 3.27Å
6L92.6Very high92.1Very high22 Ų2266.1 Ų66.112%0.11532%0.316CS..Hα-helixtrans-69.4-43.1179.3-158.468.3000111.2M1 S2 L3 V4 R9 L10 L25 N28 A30M1-L6 HydrophobicContact CE-CB 4.35Å; M1-L6 HydrophobicContact CE-CD1 3.88Å; M1-L6 HydrophobicContact SD-CD1 4.07Å; S2-L6 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 3.1Å; V4-L6 VanDerWaalsContact C-N 3.27Å; V4-L6 PolarHBondContact O-N 3.36Å; L6-R9 PolarHBondContact O-N 3.39Å; L6-L10 PolarHBondContact O-N 3.29Å; L6-L25 HydrophobicContact CD1-CD2 3.56Å; L6-L25 HydrophobicContact CG-CD2 4.38Å; L6-N28 HydrophobicContact CD2-CB 4.45Å; L6-N28 WeakPolarHBondContact CD2-O 3.44Å; L6-A30 HydrophobicContact CD2-CB 4.12Å; L6-A30 HydrophobicContact CG-CB 3.84Å
7G92.6Very high92.3Very high0 Ų063.4 Ų63.40%031%0.31CS..Hα-helixtrans-63.5-40.8170.300000113.6L3 V4 L10 L11 T33L3-G7 PolarHBondContact O-N 3.49Å; V4-G7 PolarHBondContact O-N 3.24Å; G7-L10 WeakPolarHBondContact O-CB 3.42Å; G7-L10 PolarHBondContact O-N 3.04Å; G7-L11 PolarHBondContact O-N 3.42Å; G7-T33 VanDerWaalsContact CA-OG1 3.25Å; G7-T33 WeakPolarHBondContact CA-OG1 3.48Å
8K93.8Very high92.5Very high128 Ų12863.9 Ų63.956%0.55731%0.311SS*.Hα-helixtrans-61.6-42.2173.1-75.5171-178.4172.20112.5V4 D5 L10 L11 E12V4-K8 HydrophobicContact CG1-CD 4.31Å; V4-K8 WeakPolarHBondContact O-CB 3.31Å; V4-K8 VanDerWaalsContact O-CG 3.29Å; V4-K8 WeakPolarHBondContact O-CG 3.41Å; V4-K8 PolarHBondContact O-N 3.44Å; D5-K8 PolarHBondContact O-N 3.37Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-L11 PolarHBondContact O-N 3.25Å; K8-E12 PolarHBondContact O-N 3.3Å; K8-E12 VanDerWaalsContact O-N 3.07Å
9R95.4Very high92.6Very high135 Ų13562.8 Ų62.851%0.50931%0.307SS..Hα-helixtrans-65.6-35.8173.1-76.4-153.1-168.6160.50.6112.2M1 D5 L6 L11 E12 A13 L25M1-R9 HydrophobicContact CE-CB 4.37Å; M1-R9 HydrophobicContact CE-CG 3.81Å; D5-R9 PolarHBondContact O-N 3.27Å; L6-R9 PolarHBondContact O-N 3.39Å; R9-L11 VanDerWaalsContact C-N 3.35Å; R9-L11 PolarHBondContact O-N 2.96Å; R9-E12 PolarHBondContact O-N 3.32Å; R9-A13 VanDerWaalsContact O-CB 3.32Å; R9-A13 WeakPolarHBondContact O-CB 3.45Å; R9-A13 PolarHBondContact O-N 3.17Å; R9-L25 HydrophobicContact CB-CD1 3.81Å; R9-L25 HydrophobicContact CB-CD2 3.89Å
10L96.2Very high92.7Very high0 Ų065.5 Ų65.50%032%0.323CS..Hα-helixtrans-64-41.3177.5-174.865000111.7L6 G7 K8 A14 V22 L25 M26 A30 F32 P41L6-L10 PolarHBondContact O-N 3.29Å; G7-L10 WeakPolarHBondContact O-CB 3.42Å; G7-L10 PolarHBondContact O-N 3.04Å; K8-L10 VanDerWaalsContact C-N 3.34Å; L10-A14 WeakPolarHBondContact O-CB 3.18Å; L10-A14 PolarHBondContact O-N 2.88Å; L10-V22 HydrophobicContact CD1-CB 4.32Å; L10-V22 HydrophobicContact CD1-CG1 3.95Å; L10-V22 HydrophobicContact CD1-CG2 4.29Å; L10-L25 HydrophobicContact CB-CD1 4.39Å; L10-L25 HydrophobicContact CD1-CB 4.18Å; L10-L25 HydrophobicContact CD1-CD1 4.46Å; L10-M26 HydrophobicContact CD1-CG 3.79Å; L10-M26 HydrophobicContact CD1-SD 4.07Å; L10-M26 HydrophobicContact CD2-CG 4.27Å; L10-A30 HydrophobicContact CB-CB 4.19Å; L10-A30 HydrophobicContact CD2-CB 3.93Å; L10-A30 HydrophobicContact CG-CB 4.47Å; L10-F32 HydrophobicContact CD2-CD1 3.86Å; L10-F32 HydrophobicContact CD2-CE1 4.32Å; L10-P41 HydrophobicContact CD2-CG 3.99Å; L10-P41 HydrophobicContact CG-CB 4.28Å; L10-P41 HydrophobicContact CG-CG 3.94Å
11L95.9Very high92.8Very high20 Ų2065.3 Ų65.311%0.10532%0.321CS..Hα-helixtrans-60.4-45.6171.2-70.7163.2000111.5G7 K8 R9 A14 R15 D35 T39 P41 L44G7-L11 PolarHBondContact O-N 3.42Å; K8-L11 PolarHBondContact O-N 3.25Å; R9-L11 VanDerWaalsContact C-N 3.35Å; R9-L11 PolarHBondContact O-N 2.96Å; L11-A14 PolarHBondContact O-N 3.29Å; L11-R15 WeakPolarHBondContact O-CB 3.3Å; L11-R15 PolarHBondContact O-N 2.88Å; L11-D35 HydrophobicContact CD1-CB 4.27Å; L11-T39 WeakPolarHBondContact CD2-O 3.27Å; L11-P41 HydrophobicContact CD2-CG 3.85Å; L11-P41 HydrophobicContact CG-CG 4.29Å; L11-L44 HydrophobicContact CB-CD1 3.92Å; L11-L44 HydrophobicContact CD2-CD1 3.71Å; L11-L44 HydrophobicContact CG-CD1 4.46Å; L11-L44 VanDerWaalsContact O-CD1 3.3Å; L11-L44 WeakPolarHBondContact O-CD1 3.25Å
12E96.2Very high94.2Very high58 Ų5858.7 Ų58.727%0.27129%0.289SS..Hα-helixtrans-68.9-43.8-178179.462178.800113.7K8 R9 A14 R15 K16K8-E12 PolarHBondContact O-N 3.3Å; K8-E12 VanDerWaalsContact O-N 3.07Å; R9-E12 PolarHBondContact O-N 3.32Å; E12-A14 VanDerWaalsContact C-N 3.31Å; E12-A14 PolarHBondContact O-N 3.13Å; E12-R15 VanDerWaalsContact CD-NH2 3.29Å; E12-R15 WeakPolarHBondContact O-CB 3.28Å; E12-R15 PolarHBondContact O-N 3.41Å; E12-R15 IonicContact OE1-NH2 2.98Å; E12-R15 PolarHBondContact OE1-NH2 3.33Å; E12-R15 VanDerWaalsContact OE1-NH2 3.08Å; E12-R15 IonicContact OE2-CZ 2.75Å; E12-R15 IonicContact OE2-NE 3.2Å; E12-R15 PolarHBondContact OE2-NE 2.85Å; E12-R15 IonicContact OE2-NH2 3Å; E12-R15 PolarHBondContact OE2-NH2 3.46Å; E12-K16 HydrophobicContact CG-CD 4.42Å; E12-K16 PolarHBondContact O-N 3.5Å; E12-K16 WeakPolarHBondContact OE1-CE 3.43Å; E12-K16 IonicContact OE1-NZ 2.73Å; E12-K16 PolarHBondContact OE1-NZ 2.99Å
13A96.9Very high94.5Very high0 Ų061.6 Ų61.60%029%0.291CS..Hα-helixtrans-64.9-37.3175.400000110.9R9 K16 G17 Q18 E21 V22 L25R9-A13 VanDerWaalsContact O-CB 3.32Å; R9-A13 WeakPolarHBondContact O-CB 3.45Å; R9-A13 PolarHBondContact O-N 3.17Å; A13-K16 PolarHBondContact O-N 3.3Å; A13-G17 PolarHBondContact O-N 2.94Å; A13-Q18 HydrophobicContact CB-CB 4.3Å; A13-Q18 PolarHBondContact O-N 3.46Å; A13-E21 HydrophobicContact CB-CB 4.09Å; A13-E21 HydrophobicContact CB-CG 4.01Å; A13-V22 HydrophobicContact CB-CG2 3.66Å; A13-L25 HydrophobicContact CB-CD1 3.99Å
14A97.1Very high94.9Very high0 Ų060 Ų600%029%0.287CS..Hα-helixtrans-68.2-36174.400000113.2L10 L11 E12 K16 G17 V22 P41 H50 T53 L57L10-A14 WeakPolarHBondContact O-CB 3.18Å; L10-A14 PolarHBondContact O-N 2.88Å; L11-A14 PolarHBondContact O-N 3.29Å; E12-A14 VanDerWaalsContact C-N 3.31Å; E12-A14 PolarHBondContact O-N 3.13Å; A14-K16 VanDerWaalsContact C-N 3.33Å; A14-G17 PolarHBondContact O-N 3.28Å; A14-V22 HydrophobicContact CB-CG2 4.3Å; A14-P41 HydrophobicContact CB-CB 3.77Å; A14-P41 WeakPolarHBondContact CB-O 3.23Å; A14-H50 PolarHBondContact O-CD2 3.04Å; A14-H50 VanDerWaalsContact O-CD2 3.31Å; A14-T53 HydrophobicContact CB-CG2 4.13Å; A14-L57 HydrophobicContact CB-CD1 4.22Å
15R96.5Very high95.2Very high113 Ų11356.2 Ų56.243%0.42626%0.263SS..Hα-helixtrans-63.1-36.8172.3-173.5169.272.9130.63.3112.8L11 E12 L44 Y48 H50L11-R15 WeakPolarHBondContact O-CB 3.3Å; L11-R15 PolarHBondContact O-N 2.88Å; E12-R15 VanDerWaalsContact CD-NH2 3.29Å; E12-R15 WeakPolarHBondContact O-CB 3.28Å; E12-R15 PolarHBondContact O-N 3.41Å; E12-R15 IonicContact OE1-NH2 2.98Å; E12-R15 PolarHBondContact OE1-NH2 3.33Å; E12-R15 VanDerWaalsContact OE1-NH2 3.08Å; E12-R15 IonicContact OE2-CZ 2.75Å; E12-R15 IonicContact OE2-NE 3.2Å; E12-R15 PolarHBondContact OE2-NE 2.85Å; E12-R15 IonicContact OE2-NH2 3Å; E12-R15 PolarHBondContact OE2-NH2 3.46Å; R15-L44 HydrophobicContact CB-CB 4.24Å; R15-L44 HydrophobicContact CB-CD1 4.29Å; R15-Y48 HydrophobicContact CG-CD2 3.97Å; R15-Y48 HydrophobicContact CG-CE2 3.63Å; R15-H50 PolarHBondContact O-CD2 3.26Å; R15-H50 PolarHBondContact O-NE2 3.49Å
16K96.9Very high95.3Very high118 Ų11854.6 Ų54.651%0.51325%0.254SS..Hα-helixtrans-86.6-12178.9-75.6171.1168.5151.60114.7E12 A13 A14 Q18E12-K16 HydrophobicContact CG-CD 4.42Å; E12-K16 PolarHBondContact O-N 3.5Å; E12-K16 WeakPolarHBondContact OE1-CE 3.43Å; E12-K16 IonicContact OE1-NZ 2.73Å; E12-K16 PolarHBondContact OE1-NZ 2.99Å; A13-K16 PolarHBondContact O-N 3.3Å; A14-K16 VanDerWaalsContact C-N 3.33Å; K16-Q18 HydrophobicContact CB-CG 3.89Å
17G95.6Very high95.3Very high21 Ų2157.9 Ų57.922%0.21628%0.284CS..THydrogen-bonded Turntrans76.319.9-176.900000114.5A13 A14 D19 H50 T53A13-G17 PolarHBondContact O-N 2.94Å; A14-G17 PolarHBondContact O-N 3.28Å; G17-D19 VanDerWaalsContact C-N 3.33Å; G17-D19 PolarHBondContact O-N 3.46Å; G17-H50 WeakPolarHBondContact CA-ND1 3.29Å; G17-H50 PolarHBondContact N-CD2 3.35Å; G17-H50 PolarHBondContact N-NE2 2.9Å; G17-T53 PolarHBondContact O-OG1 3.16Å
18Q96.3Very high95.2Very high72 Ų7263.1 Ų63.134%0.33631%0.312SS..  trans-7878.5-178.8-64.3172-99.900110.4A13 K16 D20 E21 V22A13-Q18 HydrophobicContact CB-CB 4.3Å; A13-Q18 PolarHBondContact O-N 3.46Å; K16-Q18 HydrophobicContact CB-CG 3.89Å; Q18-D20 VanDerWaalsContact C-N 3.35Å; Q18-D20 PolarHBondContact O-N 3.23Å; Q18-E21 HydrophobicContact CB-CB 3.93Å; Q18-E21 PolarHBondContact NE2-OE2 2.79Å; Q18-E21 PolarHBondContact O-N 2.92Å; Q18-E21 VanDerWaalsContact O-N 3.08Å; Q18-V22 WeakPolarHBondContact O-CG2 3.38Å; Q18-V22 PolarHBondContact O-N 2.75Å
19D94Very high95.1Very high43 Ų4359.2 Ų59.223%0.2331%0.308CS..Hα-helixtrans-64.3-35.4-171.180.2-59.7000113.1G17 V22 R23G17-D19 VanDerWaalsContact C-N 3.33Å; G17-D19 PolarHBondContact O-N 3.46Å; D19-V22 PolarHBondContact O-N 3.42Å; D19-R23 WeakPolarHBondContact O-CB 3.43Å; D19-R23 WeakPolarHBondContact O-CG 3.4Å; D19-R23 PolarHBondContact O-N 3.37Å; D19-R23 IonicContact OD2-CZ 2.72Å; D19-R23 IonicContact OD2-NE 3.89Å; D19-R23 PolarHBondContact OD2-NE 3.49Å; D19-R23 IonicContact OD2-NH2 2.67Å; D19-R23 PolarHBondContact OD2-NH2 2.73Å
20D95.3Very high94.8Very high117 Ų11753.2 Ų53.263%0.62629%0.287SS*.Hα-helixtrans-61.7-40.1170.6-82.9-26.9000113.5Q18 T24Q18-D20 VanDerWaalsContact C-N 3.35Å; Q18-D20 PolarHBondContact O-N 3.23Å; D20-T24 VanDerWaalsContact O-CB 3.29Å; D20-T24 WeakPolarHBondContact O-CB 3.44Å; D20-T24 PolarHBondContact O-N 3.36Å; D20-T24 PolarHBondContact O-OG1 3.22Å
21E95.5Very high94.5Very high61 Ų6154.9 Ų54.929%0.28530%0.298SS..Hα-helixtrans-70.3-40.9175.6-171.6172.7173.300110.3A13 Q18 T24 L25A13-E21 HydrophobicContact CB-CB 4.09Å; A13-E21 HydrophobicContact CB-CG 4.01Å; Q18-E21 HydrophobicContact CB-CB 3.93Å; Q18-E21 PolarHBondContact NE2-OE2 2.79Å; Q18-E21 PolarHBondContact O-N 2.92Å; Q18-E21 VanDerWaalsContact O-N 3.08Å; E21-T24 PolarHBondContact O-N 3.27Å; E21-L25 HydrophobicContact CG-CD1 3.8Å; E21-L25 HydrophobicContact CG-CG 4.1Å; E21-L25 WeakPolarHBondContact O-CB 3.45Å; E21-L25 WeakPolarHBondContact O-CG 3.4Å; E21-L25 PolarHBondContact O-N 3.24Å
22V95.9Very high94.2Very high0 Ų058.1 Ų58.10%031%0.312CS..Hα-helixtrans-58.2-50174.1166.60000111.3L10 A13 A14 Q18 D19 T24 L25 M26 T53 V56 L57L10-V22 HydrophobicContact CD1-CB 4.32Å; L10-V22 HydrophobicContact CD1-CG1 3.95Å; L10-V22 HydrophobicContact CD1-CG2 4.29Å; A13-V22 HydrophobicContact CB-CG2 3.66Å; A14-V22 HydrophobicContact CB-CG2 4.3Å; Q18-V22 WeakPolarHBondContact O-CG2 3.38Å; Q18-V22 PolarHBondContact O-N 2.75Å; D19-V22 PolarHBondContact O-N 3.42Å; V22-T24 VanDerWaalsContact C-N 3.33Å; V22-T24 PolarHBondContact O-N 2.96Å; V22-L25 PolarHBondContact O-N 2.99Å; V22-M26 HydrophobicContact CG1-SD 3.45Å; V22-M26 WeakPolarHBondContact CG1-SD 3.25Å; V22-M26 WeakPolarHBondContact O-CB 3.23Å; V22-M26 WeakPolarHBondContact O-CG 3.41Å; V22-M26 PolarHBondContact O-N 3.5Å; V22-M26 VanDerWaalsContact O-SD 3.4Å; V22-T53 HydrophobicContact CG1-CG2 4.37Å; V22-T53 HydrophobicContact CG2-CG2 4.01Å; V22-V56 HydrophobicContact CG1-CG1 4.02Å; V22-L57 HydrophobicContact CG1-CD2 3.98Å; V22-L57 HydrophobicContact CG1-CG 4.26Å
23R95.1Very high93.9Very high115 Ų11557.8 Ų57.843%0.43431%0.314SS..Hα-helixtrans-55.4-47.2173.7-70165.1-160.7-79.51.3111.4D19 M26 A27 V56D19-R23 WeakPolarHBondContact O-CB 3.43Å; D19-R23 WeakPolarHBondContact O-CG 3.4Å; D19-R23 PolarHBondContact O-N 3.37Å; D19-R23 IonicContact OD2-CZ 2.72Å; D19-R23 IonicContact OD2-NE 3.89Å; D19-R23 PolarHBondContact OD2-NE 3.49Å; D19-R23 IonicContact OD2-NH2 2.67Å; D19-R23 PolarHBondContact OD2-NH2 2.73Å; R23-M26 PolarHBondContact O-N 3.24Å; R23-A27 WeakPolarHBondContact O-CB 3.49Å; R23-A27 PolarHBondContact O-N 2.82Å; R23-V56 HydrophobicContact CG-CG1 4.05Å; R23-V56 HydrophobicContact CG-CG2 4.3Å
24T95.6Very high93.8Very high80 Ų8061.3 Ų61.349%0.49134%0.335SS..Hα-helixtrans-66.3-43.1-177.8-600000111.8D20 E21 V22 A27 N28D20-T24 VanDerWaalsContact O-CB 3.29Å; D20-T24 WeakPolarHBondContact O-CB 3.44Å; D20-T24 PolarHBondContact O-N 3.36Å; D20-T24 PolarHBondContact O-OG1 3.22Å; E21-T24 PolarHBondContact O-N 3.27Å; V22-T24 VanDerWaalsContact C-N 3.33Å; V22-T24 PolarHBondContact O-N 2.96Å; T24-A27 PolarHBondContact O-N 2.87Å; T24-N28 WeakPolarHBondContact O-CB 3.36Å; T24-N28 PolarHBondContact O-N 3.18Å; T24-N28 PolarHBondContact O-ND2 3.18Å
25L94.9Very high93.5Very high8 Ų863.6 Ų63.64%0.04235%0.347CS..Hα-helixtrans-62.9-44.3176.3-71.1167.7000110.9L6 R9 L10 A13 E21 V22 N28 G29 A30L6-L25 HydrophobicContact CD1-CD2 3.56Å; L6-L25 HydrophobicContact CG-CD2 4.38Å; R9-L25 HydrophobicContact CB-CD1 3.81Å; R9-L25 HydrophobicContact CB-CD2 3.89Å; L10-L25 HydrophobicContact CB-CD1 4.39Å; L10-L25 HydrophobicContact CD1-CB 4.18Å; L10-L25 HydrophobicContact CD1-CD1 4.46Å; A13-L25 HydrophobicContact CB-CD1 3.99Å; E21-L25 HydrophobicContact CG-CD1 3.8Å; E21-L25 HydrophobicContact CG-CG 4.1Å; E21-L25 WeakPolarHBondContact O-CB 3.45Å; E21-L25 WeakPolarHBondContact O-CG 3.4Å; E21-L25 PolarHBondContact O-N 3.24Å; V22-L25 PolarHBondContact O-N 2.99Å; L25-N28 CarbonylContact O-C 3.47Å; L25-N28 WeakPolarHBondContact O-CA 3.17Å; L25-N28 WeakPolarHBondContact O-CB 3.4Å; L25-N28 PolarHBondContact O-N 2.84Å; L25-N28 VanDerWaalsContact O-N 3.15Å; L25-G29 PolarHBondContact O-N 2.71Å; L25-A30 VanDerWaalsContact C-CB 3.48Å; L25-A30 HydrophobicContact CB-CB 3.99Å; L25-A30 WeakPolarHBondContact O-CB 3.38Å; L25-A30 PolarHBondContact O-N 2.69Å
26M92.8Very high93.3Very high36 Ų3667.5 Ų67.518%0.17736%0.362CS..Hα-helixtrans-64.7-41177.7-70.216253.500112.3L10 V22 R23 N28 G29 F32 V56 L57 A60L10-M26 HydrophobicContact CD1-CG 3.79Å; L10-M26 HydrophobicContact CD1-SD 4.07Å; L10-M26 HydrophobicContact CD2-CG 4.27Å; V22-M26 HydrophobicContact CG1-SD 3.45Å; V22-M26 WeakPolarHBondContact CG1-SD 3.25Å; V22-M26 WeakPolarHBondContact O-CB 3.23Å; V22-M26 WeakPolarHBondContact O-CG 3.41Å; V22-M26 PolarHBondContact O-N 3.5Å; V22-M26 VanDerWaalsContact O-SD 3.4Å; R23-M26 PolarHBondContact O-N 3.24Å; M26-N28 VanDerWaalsContact C-N 3.26Å; M26-N28 PolarHBondContact O-N 3.1Å; M26-G29 PolarHBondContact O-N 2.86Å; M26-F32 HydrophobicContact CE-CE1 4.21Å; M26-F32 HydrophobicContact CE-CZ 4.4Å; M26-F32 HydrophobicContact CG-CE1 4.11Å; M26-F32 HydrophobicContact SD-CE1 4.36Å; M26-V56 HydrophobicContact CE-CG1 3.9Å; M26-V56 HydrophobicContact SD-CG1 4.06Å; M26-L57 HydrophobicContact SD-CD2 3.81Å; M26-A60 HydrophobicContact CE-CB 3.15Å
27A92.3Very high93.1Very high90 Ų9065.4 Ų65.474%0.74436%0.356SS*.Hα-helixtrans-63.2-30.7172.500000112.9R23 T24 G29R23-A27 WeakPolarHBondContact O-CB 3.49Å; R23-A27 PolarHBondContact O-N 2.82Å; T24-A27 PolarHBondContact O-N 2.87Å; A27-G29 PolarHBondContact O-N 3.42Å
28N91.9Very high93.1Very high110 Ų11065 Ų6559%0.58835%0.352SS*.THydrogen-bonded Turntrans-79.77.6171.8-73.3-58.3000113.8L6 T24 L25 M26L6-N28 HydrophobicContact CD2-CB 4.45Å; L6-N28 WeakPolarHBondContact CD2-O 3.44Å; T24-N28 WeakPolarHBondContact O-CB 3.36Å; T24-N28 PolarHBondContact O-N 3.18Å; T24-N28 PolarHBondContact O-ND2 3.18Å; L25-N28 CarbonylContact O-C 3.47Å; L25-N28 WeakPolarHBondContact O-CA 3.17Å; L25-N28 WeakPolarHBondContact O-CB 3.4Å; L25-N28 PolarHBondContact O-N 2.84Å; L25-N28 VanDerWaalsContact O-N 3.15Å; M26-N28 VanDerWaalsContact C-N 3.26Å; M26-N28 PolarHBondContact O-N 3.1Å
29G89.7Confident93.1Very high46 Ų4662 Ų6247%0.47434%0.339SS..THydrogen-bonded Turntrans80.228.9178.300000114.7L25 M26 A27 P31L25-G29 PolarHBondContact O-N 2.71Å; M26-G29 PolarHBondContact O-N 2.86Å; A27-G29 PolarHBondContact O-N 3.42Å; G29-P31 WeakPolarHBondContact O-CD 3.34Å
30A90.7Very high93.2Very high9 Ų960.2 Ų60.27%0.07433%0.33CS..  trans-57.2122.4172.400000111.1L6 L10 L25L6-A30 HydrophobicContact CD2-CB 4.12Å; L6-A30 HydrophobicContact CG-CB 3.84Å; L10-A30 HydrophobicContact CB-CB 4.19Å; L10-A30 HydrophobicContact CD2-CB 3.93Å; L10-A30 HydrophobicContact CG-CB 4.47Å; L25-A30 VanDerWaalsContact C-CB 3.48Å; L25-A30 HydrophobicContact CB-CB 3.99Å; L25-A30 WeakPolarHBondContact O-CB 3.38Å; L25-A30 PolarHBondContact O-N 2.69Å
31P90.2Very high93.3Very high35 Ų3554.7 Ų54.723%0.22730%0.3CS..  trans-69.9148.8174.733-38.6000110.1L3 G29 T33L3-P31 HydrophobicContact CD2-CG 4.31Å; L3-P31 HydrophobicContact CG-CG 3.89Å; G29-P31 WeakPolarHBondContact O-CD 3.34Å; P31-T33 HydrophobicContact CB-CG2 4.07Å; P31-T33 HydrophobicContact CG-CG2 3.74Å; P31-T33 PolarHBondContact O-N 3.43Å
32F89.4Confident93.4Very high89 Ų8951.8 Ų51.839%0.3929%0.286SS..  trans-76.753.4172.4-54.9-44.2000112L10 M26 A60 V62L10-F32 HydrophobicContact CD2-CD1 3.86Å; L10-F32 HydrophobicContact CD2-CE1 4.32Å; M26-F32 HydrophobicContact CE-CE1 4.21Å; M26-F32 HydrophobicContact CE-CZ 4.4Å; M26-F32 HydrophobicContact CG-CE1 4.11Å; M26-F32 HydrophobicContact SD-CE1 4.36Å; F32-A60 WeakPolarHBondContact CE2-O 3.44Å; F32-A60 HydrophobicContact CZ-CB 3.92Å; F32-V62 HydrophobicContact CB-CG2 4.37Å; F32-V62 HydrophobicContact CD1-CG2 3.49Å; F32-V62 VanDerWaalsContact CD1-CG2 3.49Å; F32-V62 HydrophobicContact CD2-CG2 3.89Å; F32-V62 HydrophobicContact CE1-CG2 3.58Å; F32-V62 HydrophobicContact CE2-CG2 3.97Å; F32-V62 HydrophobicContact CG-CG2 3.67Å; F32-V62 HydrophobicContact CZ-CG2 3.83Å
33T90.1Very high93.5Very high51 Ų5151.8 Ų51.831%0.31329%0.286SS..  trans-65143.1177.2470000111.7G7 P31G7-T33 VanDerWaalsContact CA-OG1 3.25Å; G7-T33 WeakPolarHBondContact CA-OG1 3.48Å; P31-T33 HydrophobicContact CB-CG2 4.07Å; P31-T33 HydrophobicContact CG-CG2 3.74Å; P31-T33 PolarHBondContact O-N 3.43Å
34T93Very high93.6Very high74 Ų7447.2 Ų47.245%0.45427%0.271SS..  trans-85.3163162.456.70000111.6G38 T39T34-G38 VanDerWaalsContact CG2-O 3.31Å; T34-G38 WeakPolarHBondContact CG2-O 3.41Å; T34-T39 CarbonylContact C-O 3.51Å; T34-T39 WeakPolarHBondContact CA-O 3.46Å
35D91.9Very high93.7Very high47 Ų4743.4 Ų43.425%0.25125%0.247SC..  trans-75.3-171.1164.875.80.9000112.6L11 L37 G38 T39L11-D35 HydrophobicContact CD1-CB 4.27Å; D35-L37 PolarHBondContact O-N 3.47Å; D35-L37 VanDerWaalsContact OD1-CA 3.29Å; D35-L37 WeakPolarHBondContact OD1-CA 3.23Å; D35-L37 WeakPolarHBondContact OD1-CB 3.31Å; D35-L37 PolarHBondContact OD1-N 2.85Å; D35-G38 PolarHBondContact O-N 3.32Å; D35-G38 PolarHBondContact OD1-N 3.02Å; D35-T39 PolarHBondContact N-O 3.01Å; D35-T39 VanDerWaalsContact OD1-CB 3.28Å; D35-T39 WeakPolarHBondContact OD1-CB 3.39Å; D35-T39 PolarHBondContact OD1-N 3.19Å; D35-T39 PolarHBondContact OD1-OG1 3.38Å; D35-T39 VanDerWaalsContact OD2-CB 3.24Å; D35-T39 WeakPolarHBondContact OD2-CB 3.35Å; D35-T39 PolarHBondContact OD2-OG1 3.32Å
36W92.1Very high93.9Very high196 Ų19643 Ų4374%0.74225%0.245SC*.THydrogen-bonded Turntrans-70.4-1017865.4-82.4000114.7K69W36-K69 VanDerWaalsContact O-CE 3.25Å; W36-K69 WeakPolarHBondContact O-CE 3.41Å; W36-K69 PolarHBondContact O-NZ 2.98Å
37L93.1Very high94.1Very high74 Ų7444 Ų4439%0.38725%0.249SC..THydrogen-bonded Turntrans-99.5-5.4172.6-69.3172.2000112.8D35 K69D35-L37 PolarHBondContact O-N 3.47Å; D35-L37 VanDerWaalsContact OD1-CA 3.29Å; D35-L37 WeakPolarHBondContact OD1-CA 3.23Å; D35-L37 WeakPolarHBondContact OD1-CB 3.31Å; D35-L37 PolarHBondContact OD1-N 2.85Å; L37-K69 WeakPolarHBondContact O-CB 3.21Å; L37-K69 WeakPolarHBondContact O-CG 3.17Å; L37-K69 PolarHBondContact O-N 3.22Å
38G94.4Very high94.4Very high12 Ų1245 Ų4512%0.12423%0.234CC..  trans84.69.5-171.900000113.6T34 D35 S40T34-G38 VanDerWaalsContact CG2-O 3.31Å; T34-G38 WeakPolarHBondContact CG2-O 3.41Å; D35-G38 PolarHBondContact O-N 3.32Å; D35-G38 PolarHBondContact OD1-N 3.02Å; G38-S40 PolarHBondContact O-N 2.98Å
39T96.5Very high94.7Very high10 Ų1041 Ų416%0.06122%0.219CC..  trans-70.4117.8176.7-360000109.3L11 T34 D35 H43 L44 M77L11-T39 WeakPolarHBondContact CD2-O 3.27Å; T34-T39 CarbonylContact C-O 3.51Å; T34-T39 WeakPolarHBondContact CA-O 3.46Å; D35-T39 PolarHBondContact N-O 3.01Å; D35-T39 VanDerWaalsContact OD1-CB 3.28Å; D35-T39 WeakPolarHBondContact OD1-CB 3.39Å; D35-T39 PolarHBondContact OD1-N 3.19Å; D35-T39 PolarHBondContact OD1-OG1 3.38Å; D35-T39 VanDerWaalsContact OD2-CB 3.24Å; D35-T39 WeakPolarHBondContact OD2-CB 3.35Å; D35-T39 PolarHBondContact OD2-OG1 3.32Å; T39-H43 HydrophobicContact CG2-CB 3.53Å; T39-L44 HydrophobicContact CG2-CD2 3.83Å; T39-L44 HydrophobicContact CG2-CG 3.88Å; T39-M77 HydrophobicContact CG2-CE 4.38Å
40S96.6Very high95.1Very high5 Ų541.1 Ų41.14%0.03521%0.207CC..  trans-88.3167.4175.375.90000111.7G38 L42 H43 L44G38-S40 PolarHBondContact O-N 2.98Å; S40-L42 PolarHBondContact O-N 2.95Å; S40-L42 PolarHBondContact OG-N 2.92Å; S40-H43 PolarHBondContact N-ND1 3.36Å; S40-H43 WeakPolarHBondContact O-CB 3.42Å; S40-H43 PolarHBondContact O-N 3.15Å; S40-H43 PolarHBondContact OG-N 3.17Å; S40-H43 PolarHBondContact OG-ND1 3.44Å; S40-L44 PolarHBondContact O-N 3.33Å
41P96.9Very high95.4Very high0 Ų045.2 Ų45.20%022%0.222CC..Hα-helixtrans-57-33.2175.2-25.535.3000112.7L10 L11 A14 L44 A45 L57L10-P41 HydrophobicContact CD2-CG 3.99Å; L10-P41 HydrophobicContact CG-CB 4.28Å; L10-P41 HydrophobicContact CG-CG 3.94Å; L11-P41 HydrophobicContact CD2-CG 3.85Å; L11-P41 HydrophobicContact CG-CG 4.29Å; A14-P41 HydrophobicContact CB-CB 3.77Å; A14-P41 WeakPolarHBondContact CB-O 3.23Å; P41-L44 PolarHBondContact O-N 3.13Å; P41-A45 WeakPolarHBondContact O-CB 3.43Å; P41-A45 PolarHBondContact O-N 3.3Å; P41-L57 HydrophobicContact CB-CD1 3.87Å; P41-L57 HydrophobicContact CB-CD2 3.95Å
42L97.9Very high95.8Very high0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-71.5-31.4177.8-177.360.4000112.5S40 A46 A54 L57 L58 V62 P74 L90S40-L42 PolarHBondContact O-N 2.95Å; S40-L42 PolarHBondContact OG-N 2.92Å; L42-A46 WeakPolarHBondContact O-CB 3.49Å; L42-A46 PolarHBondContact O-N 3.34Å; L42-A54 HydrophobicContact CD1-CB 3.88Å; L42-L57 HydrophobicContact CB-CD1 4.42Å; L42-L57 HydrophobicContact CD1-CB 4.31Å; L42-L58 HydrophobicContact CD1-CG 4.13Å; L42-L58 HydrophobicContact CD2-CD2 3.66Å; L42-L58 HydrophobicContact CD2-CG 4.09Å; L42-V62 HydrophobicContact CB-CG1 3.71Å; L42-V62 HydrophobicContact CD2-CG1 4.19Å; L42-P74 HydrophobicContact CB-CG 4.36Å; L42-P74 HydrophobicContact CD2-CG 4.17Å; L42-P74 HydrophobicContact CG-CB 4.07Å; L42-P74 HydrophobicContact CG-CG 3.94Å; L42-L90 HydrophobicContact CD1-CD2 4.35Å; L42-L90 HydrophobicContact CD2-CD2 4.18Å; L42-L90 HydrophobicContact CG-CD2 4.41Å
43H98.3Very high96.1Very high0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-62.4-46.1170.4-75.790.6000111.2T39 S40 A46 Q47 A66 R72 P74 M77T39-H43 HydrophobicContact CG2-CB 3.53Å; S40-H43 PolarHBondContact N-ND1 3.36Å; S40-H43 WeakPolarHBondContact O-CB 3.42Å; S40-H43 PolarHBondContact O-N 3.15Å; S40-H43 PolarHBondContact OG-N 3.17Å; S40-H43 PolarHBondContact OG-ND1 3.44Å; H43-A46 PolarHBondContact O-N 3.38Å; H43-Q47 WeakPolarHBondContact O-CB 3.28Å; H43-Q47 PolarHBondContact O-N 3.42Å; H43-A66 PolarHBondContact CE1-O 3.4Å; H43-A66 PolarHBondContact NE2-O 3.05Å; H43-R72 PolarHBondContact NE2-O 2.93Å; H43-R72 VanDerWaalsContact NE2-O 3.16Å; H43-P74 WeakPolarHBondContact NE2-CD 3.28Å; H43-M77 HydrophobicContact CB-CE 4.41Å; H43-M77 HydrophobicContact CB-SD 3.71Å
44L97.8Very high96.5Very high20 Ų2039.9 Ų39.911%0.10520%0.198CC..Hα-helixtrans-66.1-47.2-179.9-64.3168.6000111.2L11 R15 T39 S40 P41 A46 Q47 Y48L11-L44 HydrophobicContact CB-CD1 3.92Å; L11-L44 HydrophobicContact CD2-CD1 3.71Å; L11-L44 HydrophobicContact CG-CD1 4.46Å; L11-L44 VanDerWaalsContact O-CD1 3.3Å; L11-L44 WeakPolarHBondContact O-CD1 3.25Å; R15-L44 HydrophobicContact CB-CB 4.24Å; R15-L44 HydrophobicContact CB-CD1 4.29Å; T39-L44 HydrophobicContact CG2-CD2 3.83Å; T39-L44 HydrophobicContact CG2-CG 3.88Å; S40-L44 PolarHBondContact O-N 3.33Å; P41-L44 PolarHBondContact O-N 3.13Å; L44-A46 PolarHBondContact O-N 3.29Å; L44-Q47 PolarHBondContact O-N 3.29Å; L44-Y48 HydrophobicContact CD2-CE2 4.37Å; L44-Y48 WeakPolarHBondContact O-CD2 3.48Å; L44-Y48 PolarHBondContact O-N 3.03Å; L44-Y48 VanDerWaalsContact O-N 3.11Å
45A98Very high96.7Very high0 Ų038.9 Ų38.90%019%0.188CC..Hα-helixtrans-59.4-35.6174.700000112.2P41 G49 H50 T53 A54 L57P41-A45 WeakPolarHBondContact O-CB 3.43Å; P41-A45 PolarHBondContact O-N 3.3Å; A45-G49 PolarHBondContact O-N 3.21Å; A45-H50 HydrophobicContact CB-CB 4.38Å; A45-H50 PolarHBondContact O-N 3.26Å; A45-T53 HydrophobicContact CB-CG2 3.8Å; A45-A54 HydrophobicContact CB-CB 4.15Å; A45-L57 HydrophobicContact CB-CD1 4.01Å
46A98.3Very high97Very high0 Ų037.3 Ų37.30%018%0.18CC..Hα-helixtrans-74.8-37.7177.800000113.7L42 H43 L44 P74 A78 H83 I86 L90L42-A46 WeakPolarHBondContact O-CB 3.49Å; L42-A46 PolarHBondContact O-N 3.34Å; H43-A46 PolarHBondContact O-N 3.38Å; L44-A46 PolarHBondContact O-N 3.29Å; A46-P74 HydrophobicContact CB-CB 3.91Å; A46-A78 HydrophobicContact CB-CB 4.24Å; A46-H83 PolarHBondContact O-CD2 3.19Å; A46-I86 HydrophobicContact CB-CG2 3.74Å; A46-L90 HydrophobicContact CB-CD1 4.42Å
47Q97.9Very high97.2Very high56 Ų5628 Ų2826%0.26215%0.145SC..Hα-helixtrans-68.5-36.4178.8-168.2179.910.600112.7H43 L44 M77 D81 H83H43-Q47 WeakPolarHBondContact O-CB 3.28Å; H43-Q47 PolarHBondContact O-N 3.42Å; L44-Q47 PolarHBondContact O-N 3.29Å; Q47-M77 HydrophobicContact CB-CB 4.01Å; Q47-M77 HydrophobicContact CB-SD 4.18Å; Q47-M77 HydrophobicContact CG-CB 4.34Å; Q47-D81 VanDerWaalsContact CG-OD2 3.25Å; Q47-D81 WeakPolarHBondContact CG-OD2 3.43Å; Q47-D81 PolarHBondContact NE2-OD2 3Å; Q47-H83 PolarHBondContact O-CD2 3Å; Q47-H83 VanDerWaalsContact O-CD2 3.25Å; Q47-H83 PolarHBondContact O-NE2 2.85Å; Q47-H83 VanDerWaalsContact O-NE2 3.1Å
48Y97.8Very high97.3Very high111 Ų11125.1 Ų25.144%0.43513%0.13SC..THydrogen-bonded Turntrans-100.410.2-177.5-65.5-76.1000113.7R15 L44 H50R15-Y48 HydrophobicContact CG-CD2 3.97Å; R15-Y48 HydrophobicContact CG-CE2 3.63Å; L44-Y48 HydrophobicContact CD2-CE2 4.37Å; L44-Y48 WeakPolarHBondContact O-CD2 3.48Å; L44-Y48 PolarHBondContact O-N 3.03Å; L44-Y48 VanDerWaalsContact O-N 3.11Å; Y48-H50 VanDerWaalsContact CB-NE2 3.34Å; Y48-H50 WeakPolarHBondContact CB-NE2 3.33Å; Y48-H50 PolarHBondContact O-N 2.89Å
49G97.3Very high97.4Very high26 Ų2633.5 Ų33.527%0.26816%0.158SC..THydrogen-bonded Turntrans78.313.4170.300000116.1A45 Y51 H83A45-G49 PolarHBondContact O-N 3.21Å; G49-Y51 PolarHBondContact O-N 3.33Å; G49-H83 VanDerWaalsContact CA-CD2 3.45Å; G49-H83 WeakPolarHBondContact CA-CD2 3.47Å; G49-H83 PolarHBondContact N-CD2 3.2Å; G49-H83 VanDerWaalsContact N-CD2 3.27Å; G49-H83 PolarHBondContact N-NE2 3.37Å
50H98.2Very high97.2Very high49 Ų4935.2 Ų35.223%0.22717%0.173CC..  trans-78.377-170.4-61.7-51.9000112.9A14 R15 G17 A45 Y48 S52 T53 A54A14-H50 PolarHBondContact O-CD2 3.04Å; A14-H50 VanDerWaalsContact O-CD2 3.31Å; R15-H50 PolarHBondContact O-CD2 3.26Å; R15-H50 PolarHBondContact O-NE2 3.49Å; G17-H50 WeakPolarHBondContact CA-ND1 3.29Å; G17-H50 PolarHBondContact N-CD2 3.35Å; G17-H50 PolarHBondContact N-NE2 2.9Å; A45-H50 HydrophobicContact CB-CB 4.38Å; A45-H50 PolarHBondContact O-N 3.26Å; Y48-H50 VanDerWaalsContact CB-NE2 3.34Å; Y48-H50 WeakPolarHBondContact CB-NE2 3.33Å; Y48-H50 PolarHBondContact O-N 2.89Å; H50-S52 PolarHBondContact O-N 3.12Å; H50-T53 WeakPolarHBondContact O-CB 3.41Å; H50-T53 PolarHBondContact O-N 3.03Å; H50-T53 VanDerWaalsContact O-N 3.13Å; H50-A54 PolarHBondContact O-N 3.21Å
51Y98Very high97Very high95 Ų9537.8 Ų37.837%0.37320%0.2SC..Hα-helixtrans-51.9-54.9-172.4-175.3-83.9000114.2G49 T53 A54 E55 H85 I86 L89G49-Y51 PolarHBondContact O-N 3.33Å; Y51-T53 PolarHBondContact O-N 3.48Å; Y51-A54 PolarHBondContact O-N 3.42Å; Y51-E55 PolarHBondContact O-N 2.91Å; Y51-H85 HydrophobicContact CD2-CB 4.12Å; Y51-H85 WeakPolarHBondContact CE2-O 3.43Å; Y51-I86 VanDerWaalsContact CA-CD1 3.5Å; Y51-I86 HydrophobicContact CD2-CD1 4.46Å; Y51-L89 HydrophobicContact CD2-CB 4.43Å; Y51-L89 HydrophobicContact CD2-CD2 4.15Å; Y51-L89 HydrophobicContact CE2-CB 3.85Å; Y51-L89 HydrophobicContact CE2-CD1 4.35Å; Y51-L89 HydrophobicContact CE2-CD2 4.03Å; Y51-L89 HydrophobicContact CE2-CG 4.3Å
52S97.7Very high96.8Very high62 Ų6238.2 Ų38.243%0.43420%0.203SC..Hα-helixtrans-57.7-38.5-179.2-48.40000112.1H50 V56H50-S52 PolarHBondContact O-N 3.12Å; S52-V56 VanDerWaalsContact O-CG2 3.28Å; S52-V56 WeakPolarHBondContact O-CG2 3.13Å; S52-V56 PolarHBondContact O-N 2.89Å
53T97.4Very high96.7Very high1 Ų141.6 Ų41.61%0.00623%0.226CC..Hα-helixtrans-70.6-45.2178.3-59.40000111.8A14 G17 V22 A45 H50 Y51 E55 V56 L57A14-T53 HydrophobicContact CB-CG2 4.13Å; G17-T53 PolarHBondContact O-OG1 3.16Å; V22-T53 HydrophobicContact CG1-CG2 4.37Å; V22-T53 HydrophobicContact CG2-CG2 4.01Å; A45-T53 HydrophobicContact CB-CG2 3.8Å; H50-T53 WeakPolarHBondContact O-CB 3.41Å; H50-T53 PolarHBondContact O-N 3.03Å; H50-T53 VanDerWaalsContact O-N 3.13Å; Y51-T53 PolarHBondContact O-N 3.48Å; T53-E55 VanDerWaalsContact C-N 3.29Å; T53-E55 PolarHBondContact O-N 3.17Å; T53-V56 PolarHBondContact O-N 3.34Å; T53-L57 HydrophobicContact CG2-CD1 3.96Å; T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 WeakPolarHBondContact O-CD1 3.37Å; T53-L57 VanDerWaalsContact O-CG 3.24Å; T53-L57 WeakPolarHBondContact O-CG 3.35Å; T53-L57 PolarHBondContact O-N 3.19Å
54A97.8Very high96.5Very high0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-60.8-39.3175.400000111.4L42 A45 H50 Y51 L57 L58 I86 L89L42-A54 HydrophobicContact CD1-CB 3.88Å; A45-A54 HydrophobicContact CB-CB 4.15Å; H50-A54 PolarHBondContact O-N 3.21Å; Y51-A54 PolarHBondContact O-N 3.42Å; A54-L57 PolarHBondContact O-N 2.58Å; A54-L58 WeakPolarHBondContact O-CB 3.27Å; A54-L58 VanDerWaalsContact O-CG 3.3Å; A54-L58 WeakPolarHBondContact O-CG 3.4Å; A54-L58 PolarHBondContact O-N 3.07Å; A54-I86 HydrophobicContact CB-CD1 3.99Å; A54-L89 HydrophobicContact CB-CD2 3.87Å
55E97.6Very high96.4Very high52 Ų5245.5 Ų45.524%0.24324%0.243CC..Hα-helixtrans-64.8-45.8175.5-172.8-178.2-140.900112Y51 T53 L57 L58 R59 L89Y51-E55 PolarHBondContact O-N 2.91Å; T53-E55 VanDerWaalsContact C-N 3.29Å; T53-E55 PolarHBondContact O-N 3.17Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 2.79Å; E55-L58 PolarHBondContact O-N 3.48Å; E55-R59 HydrophobicContact CG-CG 4.31Å; E55-R59 WeakPolarHBondContact O-CB 3.41Å; E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.28Å; E55-R59 PolarHBondContact O-N 3.45Å; E55-R59 IonicContact OE1-CZ 3.86Å; E55-R59 VanDerWaalsContact OE1-CZ 3.32Å; E55-R59 IonicContact OE1-NE 3.32Å; E55-R59 PolarHBondContact OE1-NE 3.1Å; E55-R59 IonicContact OE1-NH2 3.74Å; E55-R59 PolarHBondContact OE1-NH2 3.09Å; E55-R59 IonicContact OE2-CZ 2.71Å; E55-R59 IonicContact OE2-NE 3.41Å; E55-R59 IonicContact OE2-NH2 3.75Å; E55-R59 PolarHBondContact OE2-NH2 2.96Å; E55-L89 HydrophobicContact CB-CD1 4.39Å; E55-L89 HydrophobicContact CB-CD2 4.07Å; E55-L89 HydrophobicContact CG-CD1 4.4Å
56V96.8Very high96.3Very high14 Ų1446.6 Ų46.69%0.08525%0.252CS..Hα-helixtrans-58.3-44.4176.1166.20000111.7V22 R23 M26 S52 T53 R59 A60V22-V56 HydrophobicContact CG1-CG1 4.02Å; R23-V56 HydrophobicContact CG-CG1 4.05Å; R23-V56 HydrophobicContact CG-CG2 4.3Å; M26-V56 HydrophobicContact CE-CG1 3.9Å; M26-V56 HydrophobicContact SD-CG1 4.06Å; S52-V56 VanDerWaalsContact O-CG2 3.28Å; S52-V56 WeakPolarHBondContact O-CG2 3.13Å; S52-V56 PolarHBondContact O-N 2.89Å; T53-V56 PolarHBondContact O-N 3.34Å; V56-R59 PolarHBondContact O-N 2.93Å; V56-A60 WeakPolarHBondContact O-CB 3.38Å; V56-A60 PolarHBondContact O-N 3.06Å; V56-A60 VanDerWaalsContact O-N 3.16Å
57L96.4Very high96.3Very high0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-66.5-43.4179.8-68.5167.5000111.8A14 V22 M26 P41 L42 A45 T53 A54 E55 A60 G61 V62A14-L57 HydrophobicContact CB-CD1 4.22Å; V22-L57 HydrophobicContact CG1-CD2 3.98Å; V22-L57 HydrophobicContact CG1-CG 4.26Å; M26-L57 HydrophobicContact SD-CD2 3.81Å; P41-L57 HydrophobicContact CB-CD1 3.87Å; P41-L57 HydrophobicContact CB-CD2 3.95Å; L42-L57 HydrophobicContact CB-CD1 4.42Å; L42-L57 HydrophobicContact CD1-CB 4.31Å; A45-L57 HydrophobicContact CB-CD1 4.01Å; T53-L57 HydrophobicContact CG2-CD1 3.96Å; T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 WeakPolarHBondContact O-CD1 3.37Å; T53-L57 VanDerWaalsContact O-CG 3.24Å; T53-L57 WeakPolarHBondContact O-CG 3.35Å; T53-L57 PolarHBondContact O-N 3.19Å; A54-L57 PolarHBondContact O-N 2.58Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 2.79Å; L57-A60 PolarHBondContact O-N 3.38Å; L57-G61 PolarHBondContact O-N 3.27Å; L57-V62 HydrophobicContact CB-CB 4.26Å; L57-V62 HydrophobicContact CB-CG2 4Å; L57-V62 HydrophobicContact CD2-CG2 4.03Å; L57-V62 VanDerWaalsContact O-CB 3.31Å; L57-V62 WeakPolarHBondContact O-CB 3.44Å; L57-V62 VanDerWaalsContact O-CG2 3.3Å; L57-V62 WeakPolarHBondContact O-CG2 3.5Å; L57-V62 PolarHBondContact O-N 2.95Å; L57-V62 VanDerWaalsContact O-N 3.1Å
58L96.4Very high96.3Very high15 Ų1550 Ų508%0.07926%0.264CS..Hα-helixtrans-61.9-46.2174.5-76.4169.6000112.1L42 A54 E55 A60 G61 R64 L89 L90L42-L58 HydrophobicContact CD1-CG 4.13Å; L42-L58 HydrophobicContact CD2-CD2 3.66Å; L42-L58 HydrophobicContact CD2-CG 4.09Å; A54-L58 WeakPolarHBondContact O-CB 3.27Å; A54-L58 VanDerWaalsContact O-CG 3.3Å; A54-L58 WeakPolarHBondContact O-CG 3.4Å; A54-L58 PolarHBondContact O-N 3.07Å; E55-L58 PolarHBondContact O-N 3.48Å; L58-A60 PolarHBondContact O-N 3.4Å; L58-G61 PolarHBondContact O-N 3.46Å; L58-R64 HydrophobicContact CD2-CB 3.89Å; L58-L89 HydrophobicContact CD1-CD1 4.38Å; L58-L89 HydrophobicContact CD1-CD2 4.13Å; L58-L89 HydrophobicContact CD1-CG 3.84Å; L58-L90 HydrophobicContact CD1-CD2 4.25Å; L58-L90 HydrophobicContact CD2-CD2 4.38Å
59R95.3Very high96.2Very high188 Ų18851.8 Ų51.871%0.70927%0.274SS*.Hα-helixtrans-62.6-23.7178.6-73.7177.6-178.5-1607.2113.2E55 V56E55-R59 HydrophobicContact CG-CG 4.31Å; E55-R59 WeakPolarHBondContact O-CB 3.41Å; E55-R59 VanDerWaalsContact O-CG 3.29Å; E55-R59 WeakPolarHBondContact O-CG 3.28Å; E55-R59 PolarHBondContact O-N 3.45Å; E55-R59 IonicContact OE1-CZ 3.86Å; E55-R59 VanDerWaalsContact OE1-CZ 3.32Å; E55-R59 IonicContact OE1-NE 3.32Å; E55-R59 PolarHBondContact OE1-NE 3.1Å; E55-R59 IonicContact OE1-NH2 3.74Å; E55-R59 PolarHBondContact OE1-NH2 3.09Å; E55-R59 IonicContact OE2-CZ 2.71Å; E55-R59 IonicContact OE2-NE 3.41Å; E55-R59 IonicContact OE2-NH2 3.75Å; E55-R59 PolarHBondContact OE2-NH2 2.96Å; V56-R59 PolarHBondContact O-N 2.93Å
60A93Very high96.2Very high45 Ų4553.4 Ų53.437%0.37228%0.278SS..THydrogen-bonded Turntrans-93.48.3176.100000114.4M26 F32 V56 L57 L58M26-A60 HydrophobicContact CE-CB 3.15Å; F32-A60 WeakPolarHBondContact CE2-O 3.44Å; F32-A60 HydrophobicContact CZ-CB 3.92Å; V56-A60 WeakPolarHBondContact O-CB 3.38Å; V56-A60 PolarHBondContact O-N 3.06Å; V56-A60 VanDerWaalsContact O-N 3.16Å; L57-A60 PolarHBondContact O-N 3.38Å; L58-A60 PolarHBondContact O-N 3.4Å
61G91.3Very high96.2Very high59 Ų5954.2 Ų54.261%0.60828%0.284SS*.THydrogen-bonded Turntrans83.918.2174.200000115.4L57 L58 S63L57-G61 PolarHBondContact O-N 3.27Å; L58-G61 PolarHBondContact O-N 3.46Å; G61-S63 PolarHBondContact O-N 2.99Å
62V94.1Very high96.2Very high10 Ų1053.2 Ų53.26%0.06128%0.28CS..  trans-63.4127.2168.3179.50000109F32 L42 L57 R64F32-V62 HydrophobicContact CB-CG2 4.37Å; F32-V62 HydrophobicContact CD1-CG2 3.49Å; F32-V62 VanDerWaalsContact CD1-CG2 3.49Å; F32-V62 HydrophobicContact CD2-CG2 3.89Å; F32-V62 HydrophobicContact CE1-CG2 3.58Å; F32-V62 HydrophobicContact CE2-CG2 3.97Å; F32-V62 HydrophobicContact CG-CG2 3.67Å; F32-V62 HydrophobicContact CZ-CG2 3.83Å; L42-V62 HydrophobicContact CB-CG1 3.71Å; L42-V62 HydrophobicContact CD2-CG1 4.19Å; L57-V62 HydrophobicContact CB-CB 4.26Å; L57-V62 HydrophobicContact CB-CG2 4Å; L57-V62 HydrophobicContact CD2-CG2 4.03Å; L57-V62 VanDerWaalsContact O-CB 3.31Å; L57-V62 WeakPolarHBondContact O-CB 3.44Å; L57-V62 VanDerWaalsContact O-CG2 3.3Å; L57-V62 WeakPolarHBondContact O-CG2 3.5Å; L57-V62 PolarHBondContact O-N 2.95Å; L57-V62 VanDerWaalsContact O-N 3.1Å; V62-R64 PolarHBondContact O-N 3.32Å
63S94.9Very high96.2Very high70 Ų7050.3 Ų50.349%0.4926%0.259SS..  trans-59.5121.9-178.5-179.20000111.8G61 D65 A66G61-S63 PolarHBondContact O-N 2.99Å; S63-D65 VanDerWaalsContact C-N 3.32Å; S63-A66 WeakPolarHBondContact O-CB 3.28Å; S63-A66 PolarHBondContact O-N 3.01Å; S63-A66 PolarHBondContact OG-N 2.86Å
64R95.4Very high96.3Very high57 Ų5750.2 Ų50.222%0.21526%0.259CS..THydrogen-bonded Turntrans-67.7-31.217977.7-175.562.2-85-6.5113.2L58 V62 P74 N93 G94 A95L58-R64 HydrophobicContact CD2-CB 3.89Å; V62-R64 PolarHBondContact O-N 3.32Å; R64-P74 VanDerWaalsContact O-CD 3.23Å; R64-P74 WeakPolarHBondContact O-CD 3.48Å; R64-N93 VanDerWaalsContact CZ-C 3.48Å; R64-N93 PolarHBondContact NE-O 3.25Å; R64-N93 VanDerWaalsContact NH1-C 3.32Å; R64-N93 PolarHBondContact NH1-O 3.4Å; R64-N93 PolarHBondContact NH2-O 3.32Å; R64-G94 WeakPolarHBondContact CD-O 3.4Å; R64-A95 HydrophobicContact CG-CB 4.24Å
65D95.8Very high96.3Very high45 Ų4550.2 Ų50.224%0.24126%0.259CS..THydrogen-bonded Turntrans-107.723.7-178.3-50.9-62.3000110.6S63 R67 D96S63-D65 VanDerWaalsContact C-N 3.32Å; D65-R67 PolarHBondContact O-N 3.11Å; D65-D96 PolarHBondContact OD1-N 3.29Å
66A96Very high96.3Very high23 Ų2347.9 Ų47.919%0.1925%0.248CC..  trans-51136.7165.600000109H43 S63 T73 P74H43-A66 PolarHBondContact CE1-O 3.4Å; H43-A66 PolarHBondContact NE2-O 3.05Å; S63-A66 WeakPolarHBondContact O-CB 3.28Å; S63-A66 PolarHBondContact O-N 3.01Å; S63-A66 PolarHBondContact OG-N 2.86Å; A66-T73 WeakPolarHBondContact O-CA 3.24Å; A66-P74 WeakPolarHBondContact O-CD 3.41Å
67R97.1Very high96.4Very high119 Ų11948.2 Ų48.245%0.44925%0.249SC..  trans-112.3133.8-178.8-75-175.7173.484.70.5110.9D65 T73D65-R67 PolarHBondContact O-N 3.11Å; R67-T73 HydrophobicContact CG-CG2 3.98Å
68T97.6Very high96.5Very high9 Ų948.2 Ų48.26%0.05525%0.249CC..  trans-68.6172.1163.3570000111.2V70 D71 R72 M77T68-V70 PolarHBondContact O-N 3.15Å; T68-V70 WeakPolarHBondContact OG1-CG2 3.43Å; T68-D71 PolarHBondContact O-N 3.37Å; T68-R72 PolarHBondContact N-O 2.91Å; T68-R72 PolarHBondContact OG1-N 3.34Å; T68-R72 PolarHBondContact OG1-O 3.37Å; T68-R72 VanDerWaalsContact OG1-O 3.06Å; T68-M77 HydrophobicContact CG2-CE 3.91Å
69K97.1Very high96.6Very high149 Ų14947.5 Ų47.565%0.64825%0.245SC*.THydrogen-bonded Turntrans-59.2-5.8172.1-75.7-178.21751730115.5W36 L37W36-K69 VanDerWaalsContact O-CE 3.25Å; W36-K69 WeakPolarHBondContact O-CE 3.41Å; W36-K69 PolarHBondContact O-NZ 2.98Å; L37-K69 WeakPolarHBondContact O-CB 3.21Å; L37-K69 WeakPolarHBondContact O-CG 3.17Å; L37-K69 PolarHBondContact O-N 3.22Å
70V96.8Very high96.7Very high59 Ų5938.8 Ų38.836%0.35821%0.214SC..THydrogen-bonded Turntrans-117.621.9174.7-63.10000112T68 R72 M102T68-V70 PolarHBondContact O-N 3.15Å; T68-V70 WeakPolarHBondContact OG1-CG2 3.43Å; V70-R72 HydrophobicContact CG2-CB 4.31Å; V70-R72 HydrophobicContact CG2-CG 4.05Å; V70-R72 PolarHBondContact O-N 3.17Å; V70-M102 HydrophobicContact CB-CB 4.36Å; V70-M102 HydrophobicContact CB-CE 4.22Å; V70-M102 HydrophobicContact CG1-CE 3.81Å; V70-M102 HydrophobicContact CG1-SD 4.49Å; V70-M102 WeakPolarHBondContact O-CB 3.41Å; V70-M102 PolarHBondContact O-N 3.05Å
71D97.4Very high97Very high67 Ų6738.8 Ų38.836%0.35821%0.207SC..SBendtrans58.80.7-178.9-66.2-45.1000117T68 T73T68-D71 PolarHBondContact O-N 3.37Å; D71-T73 PolarHBondContact O-N 3Å
72R98Very high97.3Very high74 Ų7437.1 Ų37.128%0.27919%0.19SC..  trans-60.8137.2169.4-71.2178.8172.3-174.5-3110.2H43 T68 V70 H76 D101 W110H43-R72 PolarHBondContact NE2-O 2.93Å; H43-R72 VanDerWaalsContact NE2-O 3.16Å; T68-R72 PolarHBondContact N-O 2.91Å; T68-R72 PolarHBondContact OG1-N 3.34Å; T68-R72 PolarHBondContact OG1-O 3.37Å; T68-R72 VanDerWaalsContact OG1-O 3.06Å; V70-R72 HydrophobicContact CG2-CB 4.31Å; V70-R72 HydrophobicContact CG2-CG 4.05Å; V70-R72 PolarHBondContact O-N 3.17Å; R72-H76 HydrophobicContact CB-CB 4.03Å; R72-H76 HydrophobicContact CG-CB 4.14Å; R72-D101 HydrophobicContact CG-CB 3.85Å; R72-D101 IonicContact NE-OD2 3.19Å; R72-W110 VanDerWaalsContact NH2-CZ3 3.29Å
73T98.3Very high97.5Very high0 Ų039.5 Ų39.50%020%0.2CC..  trans-102.2170.4173.168.20000111.1A66 R67 D71 L75 H76 M77 A99A66-T73 WeakPolarHBondContact O-CA 3.24Å; R67-T73 HydrophobicContact CG-CG2 3.98Å; D71-T73 PolarHBondContact O-N 3Å; T73-L75 PolarHBondContact O-N 3.08Å; T73-L75 VanDerWaalsContact O-N 3.16Å; T73-L75 PolarHBondContact OG1-N 3.48Å; T73-H76 PolarHBondContact N-ND1 3.27Å; T73-H76 WeakPolarHBondContact O-CB 3.5Å; T73-H76 PolarHBondContact O-N 3.42Å; T73-H76 PolarHBondContact OG1-ND1 3.41Å; T73-M77 PolarHBondContact O-N 3.05Å; T73-A99 HydrophobicContact CG2-CB 4.38Å
74P98.3Very high97.7Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-52.7-32.9170.8-27.235.3000113.6L42 H43 A46 R64 A66 M77 A78 L90L42-P74 HydrophobicContact CB-CG 4.36Å; L42-P74 HydrophobicContact CD2-CG 4.17Å; L42-P74 HydrophobicContact CG-CB 4.07Å; L42-P74 HydrophobicContact CG-CG 3.94Å; H43-P74 WeakPolarHBondContact NE2-CD 3.28Å; A46-P74 HydrophobicContact CB-CB 3.91Å; R64-P74 VanDerWaalsContact O-CD 3.23Å; R64-P74 WeakPolarHBondContact O-CD 3.48Å; A66-P74 WeakPolarHBondContact O-CD 3.41Å; P74-M77 PolarHBondContact O-N 3Å; P74-A78 WeakPolarHBondContact O-CB 3.34Å; P74-A78 PolarHBondContact O-N 2.94Å; P74-L90 HydrophobicContact CB-CD1 4.02Å; P74-L90 HydrophobicContact CB-CD2 4.18Å
75L98.6Very high97.8Very high0 Ų041.5 Ų41.50%021%0.207CC..Hα-helixtrans-66.5-37.1177.2-171.664.1000112.1T73 M77 A79 V87 L90 V91 A95 A107 L123T73-L75 PolarHBondContact O-N 3.08Å; T73-L75 VanDerWaalsContact O-N 3.16Å; T73-L75 PolarHBondContact OG1-N 3.48Å; L75-M77 VanDerWaalsContact C-N 3.33Å; L75-A79 WeakPolarHBondContact O-CB 3.23Å; L75-A79 PolarHBondContact O-N 3.21Å; L75-V87 HydrophobicContact CD1-CB 4.31Å; L75-V87 HydrophobicContact CD1-CG1 3.98Å; L75-V87 HydrophobicContact CD1-CG2 4.31Å; L75-L90 HydrophobicContact CB-CD1 4.15Å; L75-L90 HydrophobicContact CD1-CB 4.1Å; L75-L90 HydrophobicContact CD1-CD1 4.08Å; L75-V91 HydrophobicContact CD1-CG2 3.71Å; L75-V91 HydrophobicContact CD2-CG2 3.93Å; L75-A95 HydrophobicContact CD2-CB 4.36Å; L75-A107 HydrophobicContact CD2-CB 4.2Å; L75-A107 HydrophobicContact CG-CB 3.92Å; L75-L123 HydrophobicContact CD1-CD2 4.49Å
76H98.6Very high97.9Very high2 Ų239.3 Ų39.31%0.00920%0.196CC..Hα-helixtrans-63.8-40174-69.270.2000111.3R72 T73 A80 A99 M105 W110R72-H76 HydrophobicContact CB-CB 4.03Å; R72-H76 HydrophobicContact CG-CB 4.14Å; T73-H76 PolarHBondContact N-ND1 3.27Å; T73-H76 WeakPolarHBondContact O-CB 3.5Å; T73-H76 PolarHBondContact O-N 3.42Å; T73-H76 PolarHBondContact OG1-ND1 3.41Å; H76-A80 WeakPolarHBondContact O-CB 3.43Å; H76-A80 PolarHBondContact O-N 3.07Å; H76-A99 PolarHBondContact CE1-O 3.16Å; H76-A99 PolarHBondContact NE2-O 3.31Å; H76-M105 PolarHBondContact NE2-O 3.43Å; H76-W110 AromaticContact CD2-CD1 3.64Å; H76-W110 AromaticContact CD2-NE1 3.83Å
77M98.3Very high98Very high21 Ų2138.2 Ų38.210%0.10319%0.187CC..Hα-helixtrans-71.1-46.8179.3-66.5-171.1174.800112T39 H43 Q47 T68 T73 P74 L75 A79 A80 D81T39-M77 HydrophobicContact CG2-CE 4.38Å; H43-M77 HydrophobicContact CB-CE 4.41Å; H43-M77 HydrophobicContact CB-SD 3.71Å; Q47-M77 HydrophobicContact CB-CB 4.01Å; Q47-M77 HydrophobicContact CB-SD 4.18Å; Q47-M77 HydrophobicContact CG-CB 4.34Å; T68-M77 HydrophobicContact CG2-CE 3.91Å; T73-M77 PolarHBondContact O-N 3.05Å; P74-M77 PolarHBondContact O-N 3Å; L75-M77 VanDerWaalsContact C-N 3.33Å; M77-A79 PolarHBondContact O-N 3.41Å; M77-A80 PolarHBondContact O-N 2.8Å; M77-D81 PolarHBondContact O-N 2.86Å; M77-D81 VanDerWaalsContact O-N 3.1Å
78A98.5Very high98.1Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-57.6-37.7174.500000112.4A46 P74 G82 H83 I86 V87 L90A46-A78 HydrophobicContact CB-CB 4.24Å; P74-A78 WeakPolarHBondContact O-CB 3.34Å; P74-A78 PolarHBondContact O-N 2.94Å; A78-G82 PolarHBondContact O-N 3.39Å; A78-H83 PolarHBondContact O-N 3.16Å; A78-I86 HydrophobicContact CB-CB 3.91Å; A78-I86 HydrophobicContact CB-CG2 3.53Å; A78-V87 HydrophobicContact CB-CG2 3.74Å; A78-L90 HydrophobicContact CB-CD1 4.22Å
79A98.5Very high98.1Very high0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-76.1-38.2178.300000113.2L75 M77 D81 V87 A107 A111 H116 V119 L123L75-A79 WeakPolarHBondContact O-CB 3.23Å; L75-A79 PolarHBondContact O-N 3.21Å; M77-A79 PolarHBondContact O-N 3.41Å; A79-D81 VanDerWaalsContact C-N 3.35Å; A79-D81 PolarHBondContact O-N 2.66Å; A79-V87 HydrophobicContact CB-CG2 4.4Å; A79-A107 HydrophobicContact CB-CB 3.87Å; A79-A107 WeakPolarHBondContact CB-O 3.13Å; A79-A111 HydrophobicContact CB-CB 4.31Å; A79-A111 WeakPolarHBondContact O-CA 3.39Å; A79-H116 PolarHBondContact O-CD2 3.31Å; A79-V119 HydrophobicContact CB-CG1 3.86Å; A79-L123 HydrophobicContact CB-CD1 4.32Å
80A98.2Very high98.2Very high6 Ų627.5 Ų27.55%0.0514%0.143CC..Hα-helixtrans-67.6-31.3178.700000113.4H76 M77 W110 R114 H116H76-A80 WeakPolarHBondContact O-CB 3.43Å; H76-A80 PolarHBondContact O-N 3.07Å; M77-A80 PolarHBondContact O-N 2.8Å; A80-W110 HydrophobicContact CB-CB 4Å; A80-W110 HydrophobicContact CB-CG 4.46Å; A80-R114 WeakPolarHBondContact O-CB 3.49Å; A80-R114 VanDerWaalsContact O-CG 3.26Å; A80-R114 WeakPolarHBondContact O-CG 3.42Å; A80-R114 PolarHBondContact O-NE 3.19Å; A80-R114 PolarHBondContact O-NH1 2.89Å; A80-R114 PolarHBondContact O-NH2 2.94Å; A80-H116 PolarHBondContact O-CD2 3.16Å; A80-H116 PolarHBondContact O-NE2 2.93Å
81D98.1Very high98.2Very high45 Ų4525.4 Ų25.424%0.24113%0.131CC..THydrogen-bonded Turntrans-109.213.9179.8-65.3-37000113Q47 M77 A79 R114Q47-D81 VanDerWaalsContact CG-OD2 3.25Å; Q47-D81 WeakPolarHBondContact CG-OD2 3.43Å; Q47-D81 PolarHBondContact NE2-OD2 3Å; M77-D81 PolarHBondContact O-N 2.86Å; M77-D81 VanDerWaalsContact O-N 3.1Å; A79-D81 VanDerWaalsContact C-N 3.35Å; A79-D81 PolarHBondContact O-N 2.66Å; D81-R114 IonicContact OD1-CZ 2.84Å; D81-R114 IonicContact OD1-NH1 2.8Å; D81-R114 PolarHBondContact OD1-NH1 3.28Å; D81-R114 IonicContact OD1-NH2 3.37Å; D81-R114 PolarHBondContact OD1-NH2 3.29Å
82G97.8Very high98.2Very high23 Ų2329.5 Ų29.524%0.23714%0.141CC..THydrogen-bonded Turntrans84.711.7161.600000116.9A78 A84 H116A78-G82 PolarHBondContact O-N 3.39Å; G82-A84 VanDerWaalsContact C-N 3.33Å; G82-A84 PolarHBondContact O-N 2.8Å; G82-H116 WeakPolarHBondContact CA-CD2 3.45Å; G82-H116 PolarHBondContact N-CD2 3.44Å; G82-H116 VanDerWaalsContact N-CD2 3.29Å; G82-H116 PolarHBondContact N-NE2 3.23Å
83H98.4Very high98.2Very high60 Ų6029.6 Ų29.628%0.27815%0.147SC..  trans-82.270-172.3-63.8-47.4000113.1A46 Q47 G49 A78 H85 I86 V87A46-H83 PolarHBondContact O-CD2 3.19Å; Q47-H83 PolarHBondContact O-CD2 3Å; Q47-H83 VanDerWaalsContact O-CD2 3.25Å; Q47-H83 PolarHBondContact O-NE2 2.85Å; Q47-H83 VanDerWaalsContact O-NE2 3.1Å; G49-H83 VanDerWaalsContact CA-CD2 3.45Å; G49-H83 WeakPolarHBondContact CA-CD2 3.47Å; G49-H83 PolarHBondContact N-CD2 3.2Å; G49-H83 VanDerWaalsContact N-CD2 3.27Å; G49-H83 PolarHBondContact N-NE2 3.37Å; A78-H83 PolarHBondContact O-N 3.16Å; H83-H85 PolarHBondContact O-N 3.18Å; H83-I86 HydrophobicContact CB-CB 4.05Å; H83-I86 HydrophobicContact CB-CG1 3.78Å; H83-I86 WeakPolarHBondContact O-CA 3.4Å; H83-I86 WeakPolarHBondContact O-CB 3.45Å; H83-I86 PolarHBondContact O-N 3.01Å; H83-V87 PolarHBondContact O-N 3.3Å
84A98.1Very high98Very high19 Ų1932 Ų3216%0.15717%0.172CC..Hα-helixtrans-49.8-35.8-179.100000114.5G82 I86 V87 E88 D118 V119 L122G82-A84 VanDerWaalsContact C-N 3.33Å; G82-A84 PolarHBondContact O-N 2.8Å; A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.12Å; A84-V87 PolarHBondContact O-N 2.99Å; A84-E88 PolarHBondContact O-N 2.99Å; A84-D118 HydrophobicContact CB-CB 4.26Å; A84-V119 HydrophobicContact CB-CG2 3.94Å; A84-L122 HydrophobicContact CB-CD2 4.11Å; A84-L122 WeakPolarHBondContact O-CD2 3.31Å
85H98.2Very high98Very high150 Ų15032.4 Ų32.469%0.69418%0.175SC*.Hα-helixtrans-66.4-34.1177.2-6665000112.6Y51 H83 L89Y51-H85 HydrophobicContact CD2-CB 4.12Å; Y51-H85 WeakPolarHBondContact CE2-O 3.43Å; H83-H85 PolarHBondContact O-N 3.18Å; H85-L89 WeakPolarHBondContact O-CB 3.47Å; H85-L89 PolarHBondContact O-N 3.49Å
86I98.4Very high98Very high0 Ų035.8 Ų35.80%019%0.193CC..Hα-helixtrans-74.2-42.6172.9-58.1-65.3000110.6A46 Y51 A54 A78 H83 A84 E88 L89 L90A46-I86 HydrophobicContact CB-CG2 3.74Å; Y51-I86 VanDerWaalsContact CA-CD1 3.5Å; Y51-I86 HydrophobicContact CD2-CD1 4.46Å; A54-I86 HydrophobicContact CB-CD1 3.99Å; A78-I86 HydrophobicContact CB-CB 3.91Å; A78-I86 HydrophobicContact CB-CG2 3.53Å; H83-I86 HydrophobicContact CB-CB 4.05Å; H83-I86 HydrophobicContact CB-CG1 3.78Å; H83-I86 WeakPolarHBondContact O-CA 3.4Å; H83-I86 WeakPolarHBondContact O-CB 3.45Å; H83-I86 PolarHBondContact O-N 3.01Å; A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.12Å; I86-E88 VanDerWaalsContact C-N 3.3Å; I86-E88 PolarHBondContact O-N 3.34Å; I86-L89 WeakPolarHBondContact O-CB 3.19Å; I86-L89 PolarHBondContact O-N 3.3Å; I86-L89 VanDerWaalsContact O-N 3.16Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.11Å; I86-L90 WeakPolarHBondContact O-CB 3.43Å; I86-L90 WeakPolarHBondContact O-CG 3.42Å; I86-L90 PolarHBondContact O-N 3.3Å
87V98.5Very high97.9Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-56.2-47.5176.8171.50000109.9L75 A78 A79 H83 A84 L89 L90 V91 V119 L122 L123L75-V87 HydrophobicContact CD1-CB 4.31Å; L75-V87 HydrophobicContact CD1-CG1 3.98Å; L75-V87 HydrophobicContact CD1-CG2 4.31Å; A78-V87 HydrophobicContact CB-CG2 3.74Å; A79-V87 HydrophobicContact CB-CG2 4.4Å; H83-V87 PolarHBondContact O-N 3.3Å; A84-V87 PolarHBondContact O-N 2.99Å; V87-L89 PolarHBondContact O-N 3.04Å; V87-L90 PolarHBondContact O-N 2.77Å; V87-V91 WeakPolarHBondContact O-CB 3.36Å; V87-V91 VanDerWaalsContact O-CG2 3.28Å; V87-V91 WeakPolarHBondContact O-CG2 3.46Å; V87-V91 PolarHBondContact O-N 2.91Å; V87-V119 HydrophobicContact CG1-CG1 4.39Å; V87-V119 HydrophobicContact CG2-CG1 4.01Å; V87-V119 HydrophobicContact CG2-CG2 4.35Å; V87-L122 HydrophobicContact CB-CD2 3.88Å; V87-L122 HydrophobicContact CG1-CD2 3.68Å; V87-L122 HydrophobicContact CG1-CG 4.31Å; V87-L123 HydrophobicContact CG1-CD2 3.69Å; V87-L123 HydrophobicContact CG1-CG 4.02Å
88E98.2Very high97.9Very high44 Ų4438.2 Ų38.221%0.20621%0.207CC..Hα-helixtrans-62.8-42.3176.2-176.5156.2-106.300112.4A84 I86 R92 L122 Y126A84-E88 PolarHBondContact O-N 2.99Å; I86-E88 VanDerWaalsContact C-N 3.3Å; I86-E88 PolarHBondContact O-N 3.34Å; E88-R92 HydrophobicContact CG-CG 4.16Å; E88-R92 VanDerWaalsContact O-CB 3.23Å; E88-R92 WeakPolarHBondContact O-CB 3.29Å; E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.37Å; E88-R92 IonicContact OE1-CZ 3.61Å; E88-R92 IonicContact OE1-NH1 2.87Å; E88-R92 IonicContact OE1-NH2 3.06Å; E88-R92 PolarHBondContact OE1-NH2 2.87Å; E88-R92 IonicContact OE2-CZ 3.23Å; E88-R92 IonicContact OE2-NH1 3.4Å; E88-R92 PolarHBondContact OE2-NH1 3.12Å; E88-R92 IonicContact OE2-NH2 2.73Å; E88-R92 PolarHBondContact OE2-NH2 2.85Å; E88-L122 HydrophobicContact CB-CD1 4.31Å; E88-L122 HydrophobicContact CB-CD2 3.94Å; E88-Y126 HydrophobicContact CG-CE2 4.12Å; E88-Y126 PolarHBondContact OE1-OH 2.9Å
89L98.3Very high97.9Very high8 Ų838.3 Ų38.34%0.04221%0.208CC..Hα-helixtrans-61.1-48.7177.3176.667.2000112.1Y51 A54 E55 L58 H85 I86 V87 N93Y51-L89 HydrophobicContact CD2-CB 4.43Å; Y51-L89 HydrophobicContact CD2-CD2 4.15Å; Y51-L89 HydrophobicContact CE2-CB 3.85Å; Y51-L89 HydrophobicContact CE2-CD1 4.35Å; Y51-L89 HydrophobicContact CE2-CD2 4.03Å; Y51-L89 HydrophobicContact CE2-CG 4.3Å; A54-L89 HydrophobicContact CB-CD2 3.87Å; E55-L89 HydrophobicContact CB-CD1 4.39Å; E55-L89 HydrophobicContact CB-CD2 4.07Å; E55-L89 HydrophobicContact CG-CD1 4.4Å; L58-L89 HydrophobicContact CD1-CD1 4.38Å; L58-L89 HydrophobicContact CD1-CD2 4.13Å; L58-L89 HydrophobicContact CD1-CG 3.84Å; H85-L89 WeakPolarHBondContact O-CB 3.47Å; H85-L89 PolarHBondContact O-N 3.49Å; I86-L89 WeakPolarHBondContact O-CB 3.19Å; I86-L89 PolarHBondContact O-N 3.3Å; I86-L89 VanDerWaalsContact O-N 3.16Å; V87-L89 PolarHBondContact O-N 3.04Å; L89-N93 WeakPolarHBondContact O-CB 3.42Å; L89-N93 PolarHBondContact O-N 3.19Å; L89-N93 PolarHBondContact O-ND2 3.5Å
90L98.2Very high97.8Very high0 Ų041.8 Ų41.80%022%0.223CC..Hα-helixtrans-61.8-48.3-179.7-74.5170.3000111.1L42 A46 L58 P74 L75 A78 I86 V87 N93 G94 A95L42-L90 HydrophobicContact CD1-CD2 4.35Å; L42-L90 HydrophobicContact CD2-CD2 4.18Å; L42-L90 HydrophobicContact CG-CD2 4.41Å; A46-L90 HydrophobicContact CB-CD1 4.42Å; L58-L90 HydrophobicContact CD1-CD2 4.25Å; L58-L90 HydrophobicContact CD2-CD2 4.38Å; P74-L90 HydrophobicContact CB-CD1 4.02Å; P74-L90 HydrophobicContact CB-CD2 4.18Å; L75-L90 HydrophobicContact CB-CD1 4.15Å; L75-L90 HydrophobicContact CD1-CB 4.1Å; L75-L90 HydrophobicContact CD1-CD1 4.08Å; A78-L90 HydrophobicContact CB-CD1 4.22Å; I86-L90 HydrophobicContact CG2-CD1 3.74Å; I86-L90 HydrophobicContact CG2-CG 4.11Å; I86-L90 WeakPolarHBondContact O-CB 3.43Å; I86-L90 WeakPolarHBondContact O-CG 3.42Å; I86-L90 PolarHBondContact O-N 3.3Å; V87-L90 PolarHBondContact O-N 2.77Å; L90-N93 PolarHBondContact O-N 3.14Å; L90-G94 PolarHBondContact O-N 2.86Å; L90-A95 HydrophobicContact CB-CB 4.09Å; L90-A95 VanDerWaalsContact O-CB 3.28Å; L90-A95 WeakPolarHBondContact O-CB 3.44Å; L90-A95 PolarHBondContact O-N 2.67Å; L90-A95 VanDerWaalsContact O-N 3.08Å
91V97.7Very high97.8Very high15 Ų1541.7 Ų41.79%0.09122%0.222CC..Hα-helixtrans-72.1-40.9-176.3178.30000111.9L75 V87 N93 G94 V97 Y126L75-V91 HydrophobicContact CD1-CG2 3.71Å; L75-V91 HydrophobicContact CD2-CG2 3.93Å; V87-V91 WeakPolarHBondContact O-CB 3.36Å; V87-V91 VanDerWaalsContact O-CG2 3.28Å; V87-V91 WeakPolarHBondContact O-CG2 3.46Å; V87-V91 PolarHBondContact O-N 2.91Å; V91-N93 PolarHBondContact O-N 3.49Å; V91-G94 WeakPolarHBondContact O-CA 3.15Å; V91-G94 PolarHBondContact O-N 2.72Å; V91-V97 HydrophobicContact CB-CG2 4.46Å; V91-V97 HydrophobicContact CG1-CG2 3.59Å; V91-V97 HydrophobicContact CG2-CG2 3.97Å; V91-Y126 HydrophobicContact CB-CD2 4.4Å; V91-Y126 HydrophobicContact CB-CG 4.49Å; V91-Y126 HydrophobicContact CG1-CD1 3.99Å; V91-Y126 HydrophobicContact CG1-CD2 3.96Å; V91-Y126 HydrophobicContact CG1-CG 3.58Å
92R97.1Very high97.8Very high153 Ų15344.3 Ų44.358%0.57723%0.234SC*.Hα-helixtrans-59.5-32.4172.6-82.5-170.8176.5131.511.6113.6E88 Y126E88-R92 HydrophobicContact CG-CG 4.16Å; E88-R92 VanDerWaalsContact O-CB 3.23Å; E88-R92 WeakPolarHBondContact O-CB 3.29Å; E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.37Å; E88-R92 IonicContact OE1-CZ 3.61Å; E88-R92 IonicContact OE1-NH1 2.87Å; E88-R92 IonicContact OE1-NH2 3.06Å; E88-R92 PolarHBondContact OE1-NH2 2.87Å; E88-R92 IonicContact OE2-CZ 3.23Å; E88-R92 IonicContact OE2-NH1 3.4Å; E88-R92 PolarHBondContact OE2-NH1 3.12Å; E88-R92 IonicContact OE2-NH2 2.73Å; E88-R92 PolarHBondContact OE2-NH2 2.85Å; R92-Y126 HydrophobicContact CG-CE1 4.49Å; R92-Y126 PolarHBondContact NE-OH 3.45Å; R92-Y126 PolarHBondContact NH2-OH 3.29Å
93N97.1Very high97.7Very high76 Ų7645.8 Ų45.841%0.40624%0.236SC..THydrogen-bonded Turntrans-81.3-5175.1-76.9-99000112.2R64 L89 L90 V91R64-N93 VanDerWaalsContact CZ-C 3.48Å; R64-N93 PolarHBondContact NE-O 3.25Å; R64-N93 VanDerWaalsContact NH1-C 3.32Å; R64-N93 PolarHBondContact NH1-O 3.4Å; R64-N93 PolarHBondContact NH2-O 3.32Å; L89-N93 WeakPolarHBondContact O-CB 3.42Å; L89-N93 PolarHBondContact O-N 3.19Å; L89-N93 PolarHBondContact O-ND2 3.5Å; L90-N93 PolarHBondContact O-N 3.14Å; V91-N93 PolarHBondContact O-N 3.49Å
94G95.8Very high97.7Very high51 Ų5148.3 Ų48.353%0.52625%0.246SC..THydrogen-bonded Turntrans106.631.1171.700000116.2R64 L90 V91R64-G94 WeakPolarHBondContact CD-O 3.4Å; L90-G94 PolarHBondContact O-N 2.86Å; V91-G94 WeakPolarHBondContact O-CA 3.15Å; V91-G94 PolarHBondContact O-N 2.72Å
95A97.5Very high97.7Very high7 Ų747.8 Ų47.86%0.05824%0.24CC..  trans-72.5145.7177.100000112.4R64 L75 L90 V97R64-A95 HydrophobicContact CG-CB 4.24Å; L75-A95 HydrophobicContact CD2-CB 4.36Å; L90-A95 HydrophobicContact CB-CB 4.09Å; L90-A95 VanDerWaalsContact O-CB 3.28Å; L90-A95 WeakPolarHBondContact O-CB 3.44Å; L90-A95 PolarHBondContact O-N 2.67Å; L90-A95 VanDerWaalsContact O-N 3.08Å; A95-V97 PolarHBondContact O-N 3.35Å
96D97.8Very high97.7Very high72 Ų7240.6 Ų40.639%0.38521%0.207SC..  trans-70.199.8177.5176.713000110.6D65 N98 A99D65-D96 PolarHBondContact OD1-N 3.29Å; D96-N98 PolarHBondContact O-N 2.84Å; D96-N98 PolarHBondContact OD1-N 3.17Å; D96-A99 HydrophobicContact CB-CB 3.96Å; D96-A99 VanDerWaalsContact O-CB 3.23Å; D96-A99 WeakPolarHBondContact O-CB 3.38Å; D96-A99 PolarHBondContact O-N 3.26Å; D96-A99 PolarHBondContact OD1-N 3.38Å; D96-A99 VanDerWaalsContact OD2-CA 3.24Å; D96-A99 WeakPolarHBondContact OD2-CA 3.41Å; D96-A99 WeakPolarHBondContact OD2-CB 3.26Å; D96-A99 PolarHBondContact OD2-N 3.48Å
97V97.8Very high97.7Very high14 Ų1440.7 Ų40.79%0.08521%0.208CC..THydrogen-bonded Turntrans-58.2-31.5178.7-173.70000111.8V91 A95 L123 A128V91-V97 HydrophobicContact CB-CG2 4.46Å; V91-V97 HydrophobicContact CG1-CG2 3.59Å; V91-V97 HydrophobicContact CG2-CG2 3.97Å; A95-V97 PolarHBondContact O-N 3.35Å; V97-L123 HydrophobicContact CG1-CD2 4.04Å; V97-A128 HydrophobicContact CG1-CB 3.7Å
98N97.6Very high97.7Very high59 Ų5940.7 Ų40.732%0.31621%0.208SC..THydrogen-bonded Turntrans-104.612.5-175.4-65.5-48.9000112.5D96 K100 G127 A128 D129D96-N98 PolarHBondContact O-N 2.84Å; D96-N98 PolarHBondContact OD1-N 3.17Å; N98-K100 PolarHBondContact O-N 2.93Å; N98-G127 PolarHBondContact ND2-O 3.28Å; N98-A128 WeakPolarHBondContact OD1-CA 3.36Å; N98-D129 PolarHBondContact OD1-N 3.45Å
99A97.9Very high97.7Very high2 Ų238.6 Ų38.62%0.01720%0.198CC..  trans-52.9134.7170.600000109.7T73 H76 D96 T106T73-A99 HydrophobicContact CG2-CB 4.38Å; H76-A99 PolarHBondContact CE1-O 3.16Å; H76-A99 PolarHBondContact NE2-O 3.31Å; D96-A99 HydrophobicContact CB-CB 3.96Å; D96-A99 VanDerWaalsContact O-CB 3.23Å; D96-A99 WeakPolarHBondContact O-CB 3.38Å; D96-A99 PolarHBondContact O-N 3.26Å; D96-A99 PolarHBondContact OD1-N 3.38Å; D96-A99 VanDerWaalsContact OD2-CA 3.24Å; D96-A99 WeakPolarHBondContact OD2-CA 3.41Å; D96-A99 WeakPolarHBondContact OD2-CB 3.26Å; D96-A99 PolarHBondContact OD2-N 3.48Å; A99-T106 WeakPolarHBondContact O-CA 3.29Å
100K97.9Very high97.7Very high74 Ų7439.4 Ų39.432%0.32220%0.2SC..  trans-111135.5179.6-74-170.2175.5-157.30111.3N98 K104 M105 T106 F133N98-K100 PolarHBondContact O-N 2.93Å; K100-K104 HydrophobicContact CB-CD 4.47Å; K100-K104 HydrophobicContact CD-CB 4.25Å; K100-K104 WeakPolarHBondContact CD-O 3.39Å; K100-M105 WeakPolarHBondContact CA-O 3.39Å; K100-T106 HydrophobicContact CD-CG2 4.47Å; K100-T106 HydrophobicContact CG-CG2 3.7Å; K100-F133 PolarHBondContact NZ-O 2.96Å
101D97.8Very high97.7Very high3 Ų339.4 Ų39.42%0.01620%0.2CC..  trans-82.9-172.7173.3768.4000113.1R72 L103 K104 M105 W110R72-D101 HydrophobicContact CG-CB 3.85Å; R72-D101 IonicContact NE-OD2 3.19Å; D101-L103 PolarHBondContact O-N 3.22Å; D101-L103 WeakPolarHBondContact OD1-CA 3.43Å; D101-L103 WeakPolarHBondContact OD1-CB 3.23Å; D101-L103 PolarHBondContact OD1-N 3.46Å; D101-K104 WeakPolarHBondContact O-CA 3.3Å; D101-K104 PolarHBondContact O-N 3.2Å; D101-K104 PolarHBondContact OD1-N 3.42Å; D101-M105 PolarHBondContact N-O 3.01Å; D101-M105 PolarHBondContact OD1-N 3.47Å; D101-W110 WeakPolarHBondContact OD2-CZ2 3.45Å; D101-W110 PolarHBondContact OD2-NE1 3.22Å
102M97.4Very high97.7Very high101 Ų10138.7 Ų38.750%0.49820%0.196SC..THydrogen-bonded Turntrans-65.2-20.3-179.5-172.4-18068.600113.4V70 K104V70-M102 HydrophobicContact CB-CB 4.36Å; V70-M102 HydrophobicContact CB-CE 4.22Å; V70-M102 HydrophobicContact CG1-CE 3.81Å; V70-M102 HydrophobicContact CG1-SD 4.49Å; V70-M102 WeakPolarHBondContact O-CB 3.41Å; V70-M102 PolarHBondContact O-N 3.05Å; M102-K104 VanDerWaalsContact C-N 3.31Å
103L97.1Very high97.7Very high54 Ų5434.1 Ų34.128%0.28318%0.181SC..THydrogen-bonded Turntrans-92.79.8171.2-58.7-178.9000112.2D101 M105 W110 K135 F136D101-L103 PolarHBondContact O-N 3.22Å; D101-L103 WeakPolarHBondContact OD1-CA 3.43Å; D101-L103 WeakPolarHBondContact OD1-CB 3.23Å; D101-L103 PolarHBondContact OD1-N 3.46Å; L103-M105 HydrophobicContact CB-CG 4.1Å; L103-M105 HydrophobicContact CB-SD 4.01Å; L103-M105 HydrophobicContact CD1-SD 4.1Å; L103-M105 PolarHBondContact O-N 2.91Å; L103-M105 VanDerWaalsContact O-N 3.07Å; L103-W110 HydrophobicContact CD1-CH2 4.39Å; L103-W110 HydrophobicContact CD1-CZ2 4.27Å; L103-K135 WeakPolarHBondContact O-CB 3.39Å; L103-K135 PolarHBondContact O-N 2.95Å; L103-F136 HydrophobicContact CD1-CE2 4.43Å; L103-F136 HydrophobicContact CD2-CE2 4.41Å; L103-F136 HydrophobicContact CD2-CZ 4.28Å
104K97.7Very high97.7Very high112 Ų11235.9 Ų35.949%0.48718%0.182SC..SBendtrans56.914.7-173.5-55.4-55.7-178.1-168.50114.3K100 D101 M102 K135K100-K104 HydrophobicContact CB-CD 4.47Å; K100-K104 HydrophobicContact CD-CB 4.25Å; K100-K104 WeakPolarHBondContact CD-O 3.39Å; D101-K104 WeakPolarHBondContact O-CA 3.3Å; D101-K104 PolarHBondContact O-N 3.2Å; D101-K104 PolarHBondContact OD1-N 3.42Å; M102-K104 VanDerWaalsContact C-N 3.31Å; K104-K135 HydrophobicContact CB-CB 4.43Å; K104-K135 HydrophobicContact CG-CB 4.43Å
105M98.1Very high97.8Very high8 Ų837.9 Ų37.94%0.03918%0.178CC..  trans-76.7141.2174.9-69.7171.870.800108.9H76 K100 D101 L103 H109 W110 I143H76-M105 PolarHBondContact NE2-O 3.43Å; K100-M105 WeakPolarHBondContact CA-O 3.39Å; D101-M105 PolarHBondContact N-O 3.01Å; D101-M105 PolarHBondContact OD1-N 3.47Å; L103-M105 HydrophobicContact CB-CG 4.1Å; L103-M105 HydrophobicContact CB-SD 4.01Å; L103-M105 HydrophobicContact CD1-SD 4.1Å; L103-M105 PolarHBondContact O-N 2.91Å; L103-M105 VanDerWaalsContact O-N 3.07Å; M105-H109 HydrophobicContact CB-CB 3.88Å; M105-H109 HydrophobicContact CE-CB 3.91Å; M105-H109 HydrophobicContact CG-CB 4.12Å; M105-W110 HydrophobicContact CB-CZ2 4.45Å; M105-W110 HydrophobicContact CE-CD2 3.71Å; M105-W110 HydrophobicContact CE-CE3 3.9Å; M105-W110 HydrophobicContact CE-CG 4.28Å; M105-W110 HydrophobicContact CE-CH2 3.76Å; M105-W110 HydrophobicContact CE-CZ2 3.63Å; M105-W110 HydrophobicContact CE-CZ3 3.92Å; M105-W110 HydrophobicContact SD-CH2 3.85Å; M105-W110 HydrophobicContact SD-CZ2 3.49Å; M105-W110 WeakPolarHBondContact SD-CZ2 3.36Å; M105-I143 HydrophobicContact CE-CD1 4.47Å
106T98.3Very high97.8Very high0 Ų040 Ų400%019%0.186CC..  trans-95.2172.6170.762.50000110.6A99 K100 L108 H109 W110 A132A99-T106 WeakPolarHBondContact O-CA 3.29Å; K100-T106 HydrophobicContact CD-CG2 4.47Å; K100-T106 HydrophobicContact CG-CG2 3.7Å; T106-L108 PolarHBondContact O-N 3.37Å; T106-L108 VanDerWaalsContact O-N 3.17Å; T106-L108 PolarHBondContact OG1-N 3.48Å; T106-H109 PolarHBondContact N-ND1 3.24Å; T106-H109 WeakPolarHBondContact O-CB 3.28Å; T106-H109 PolarHBondContact O-N 2.88Å; T106-H109 PolarHBondContact OG1-ND1 3.37Å; T106-W110 PolarHBondContact O-N 3.47Å; T106-A132 HydrophobicContact CG2-CB 4.29Å
107A98.3Very high97.8Very high1 Ų141.3 Ų41.31%0.00819%0.186CC..Hα-helixtrans-52.2-35.5171.200000112.8L75 A79 H109 W110 A111 L123L75-A107 HydrophobicContact CD2-CB 4.2Å; L75-A107 HydrophobicContact CG-CB 3.92Å; A79-A107 HydrophobicContact CB-CB 3.87Å; A79-A107 WeakPolarHBondContact CB-O 3.13Å; A107-H109 PolarHBondContact O-N 2.99Å; A107-W110 PolarHBondContact O-N 3.45Å; A107-A111 PolarHBondContact O-N 2.89Å; A107-L123 HydrophobicContact CB-CD1 3.9Å; A107-L123 HydrophobicContact CB-CD2 4.15Å
108L98.4Very high97.7Very high0 Ų046 Ų460%021%0.211CC..Hα-helixtrans-63.6-39.5177.2-175.268.6000112.3T106 T112 V120 L123 I124 A128 V130 A140 L156T106-L108 PolarHBondContact O-N 3.37Å; T106-L108 VanDerWaalsContact O-N 3.17Å; T106-L108 PolarHBondContact OG1-N 3.48Å; L108-T112 WeakPolarHBondContact O-CB 3.19Å; L108-T112 PolarHBondContact O-N 2.8Å; L108-T112 PolarHBondContact O-OG1 3.25Å; L108-V120 HydrophobicContact CD1-CB 4.36Å; L108-V120 HydrophobicContact CD1-CG1 3.94Å; L108-V120 HydrophobicContact CD1-CG2 4.3Å; L108-L123 HydrophobicContact CB-CD1 4.33Å; L108-L123 HydrophobicContact CD1-CB 4.21Å; L108-L123 HydrophobicContact CD1-CD1 4.49Å; L108-I124 HydrophobicContact CD1-CD1 4.46Å; L108-I124 HydrophobicContact CD1-CG1 4.07Å; L108-A128 HydrophobicContact CB-CB 4.32Å; L108-A128 HydrophobicContact CD2-CB 4.11Å; L108-V130 HydrophobicContact CD2-CB 4.48Å; L108-V130 HydrophobicContact CD2-CG1 4.02Å; L108-A140 HydrophobicContact CD2-CB 3.9Å; L108-A140 HydrophobicContact CG-CB 3.92Å; L108-L156 HydrophobicContact CD1-CD2 4.45Å; L108-L156 HydrophobicContact CD2-CD2 4.29Å
109H98.4Very high97.8Very high0 Ų043.2 Ų43.20%020%0.196CC..Hα-helixtrans-64-45.1176.7-68.769.4000111M105 T106 A107 T112 E113 A132 S134 K138 I143M105-H109 HydrophobicContact CB-CB 3.88Å; M105-H109 HydrophobicContact CE-CB 3.91Å; M105-H109 HydrophobicContact CG-CB 4.12Å; T106-H109 PolarHBondContact N-ND1 3.24Å; T106-H109 WeakPolarHBondContact O-CB 3.28Å; T106-H109 PolarHBondContact O-N 2.88Å; T106-H109 PolarHBondContact OG1-ND1 3.37Å; A107-H109 PolarHBondContact O-N 2.99Å; H109-T112 PolarHBondContact O-N 3.03Å; H109-E113 WeakPolarHBondContact O-CB 3.42Å; H109-E113 PolarHBondContact O-N 3.42Å; H109-A132 PolarHBondContact CE1-O 3.16Å; H109-A132 PolarHBondContact NE2-O 3.22Å; H109-A132 VanDerWaalsContact NE2-O 3.12Å; H109-S134 PolarHBondContact NE2-N 3.35Å; H109-K138 PolarHBondContact NE2-O 2.83Å; H109-I143 HydrophobicContact CB-CD1 4.1Å
110W98.3Very high97.8Very high25 Ų2543.1 Ų43.110%0.09520%0.195CC..Hα-helixtrans-67.1-40.8-179.6-73.4107.7000112.8R72 H76 A80 D101 L103 M105 T106 A107 T112 E113 R114R72-W110 VanDerWaalsContact NH2-CZ3 3.29Å; H76-W110 AromaticContact CD2-CD1 3.64Å; H76-W110 AromaticContact CD2-NE1 3.83Å; A80-W110 HydrophobicContact CB-CB 4Å; A80-W110 HydrophobicContact CB-CG 4.46Å; D101-W110 WeakPolarHBondContact OD2-CZ2 3.45Å; D101-W110 PolarHBondContact OD2-NE1 3.22Å; L103-W110 HydrophobicContact CD1-CH2 4.39Å; L103-W110 HydrophobicContact CD1-CZ2 4.27Å; M105-W110 HydrophobicContact CB-CZ2 4.45Å; M105-W110 HydrophobicContact CE-CD2 3.71Å; M105-W110 HydrophobicContact CE-CE3 3.9Å; M105-W110 HydrophobicContact CE-CG 4.28Å; M105-W110 HydrophobicContact CE-CH2 3.76Å; M105-W110 HydrophobicContact CE-CZ2 3.63Å; M105-W110 HydrophobicContact CE-CZ3 3.92Å; M105-W110 HydrophobicContact SD-CH2 3.85Å; M105-W110 HydrophobicContact SD-CZ2 3.49Å; M105-W110 WeakPolarHBondContact SD-CZ2 3.36Å; T106-W110 PolarHBondContact O-N 3.47Å; A107-W110 PolarHBondContact O-N 3.45Å; W110-T112 VanDerWaalsContact C-N 3.35Å; W110-E113 VanDerWaalsContact CZ3-OE2 3.23Å; W110-E113 WeakPolarHBondContact CZ3-OE2 3.32Å; W110-E113 PolarHBondContact O-N 3.07Å; W110-R114 WeakPolarHBondContact O-CB 3.5Å; W110-R114 VanDerWaalsContact O-CG 3.29Å; W110-R114 WeakPolarHBondContact O-CG 3.07Å; W110-R114 PolarHBondContact O-N 3.07Å; W110-R114 VanDerWaalsContact O-N 3.14Å
111A98.3Very high97.8Very high0 Ų043.4 Ų43.40%020%0.197CC..Hα-helixtrans-60.7-44.6173.700000111.8A79 A107 R114 H115 H116 V119 V120 L123A79-A111 HydrophobicContact CB-CB 4.31Å; A79-A111 WeakPolarHBondContact O-CA 3.39Å; A107-A111 PolarHBondContact O-N 2.89Å; A111-R114 CarbonylContact O-C 3.52Å; A111-R114 PolarHBondContact O-N 2.84Å; A111-H115 PolarHBondContact O-N 2.8Å; A111-H115 VanDerWaalsContact O-N 3.11Å; A111-H116 HydrophobicContact CB-CB 4.45Å; A111-H116 PolarHBondContact O-N 3.31Å; A111-V119 HydrophobicContact CB-CB 3.97Å; A111-V119 HydrophobicContact CB-CG1 3.5Å; A111-V119 VanDerWaalsContact CB-CG1 3.5Å; A111-V120 HydrophobicContact CB-CG2 3.76Å; A111-L123 HydrophobicContact CB-CD1 4.27Å
112T98Very high97.8Very high0 Ų044.2 Ų44.20%020%0.202CC..Hα-helixtrans-66.6-44.7178-62.30000112.3L108 H109 W110 R114 H115 V120 A140 I143 A144 I152 L156L108-T112 WeakPolarHBondContact O-CB 3.19Å; L108-T112 PolarHBondContact O-N 2.8Å; L108-T112 PolarHBondContact O-OG1 3.25Å; H109-T112 PolarHBondContact O-N 3.03Å; W110-T112 VanDerWaalsContact C-N 3.35Å; T112-R114 PolarHBondContact O-N 3.3Å; T112-H115 PolarHBondContact O-N 3.13Å; T112-H115 VanDerWaalsContact O-N 3.15Å; T112-V120 WeakPolarHBondContact OG1-CG2 3.37Å; T112-A140 VanDerWaalsContact CG2-O 3.28Å; T112-A140 WeakPolarHBondContact CG2-O 3.4Å; T112-I143 HydrophobicContact CG2-CB 4.25Å; T112-I143 HydrophobicContact CG2-CG2 4.08Å; T112-A144 HydrophobicContact CG2-CB 3.67Å; T112-I152 HydrophobicContact CG2-CG2 3.78Å; T112-L156 HydrophobicContact CG2-CD1 4.23Å
113E97Very high97.8Very high58 Ų5839.4 Ų39.427%0.27118%0.178SC..Hα-helixtrans-59.8-32.6178-158.5-165.4172.200112.3H109 W110 H115 I143 K147H109-E113 WeakPolarHBondContact O-CB 3.42Å; H109-E113 PolarHBondContact O-N 3.42Å; W110-E113 VanDerWaalsContact CZ3-OE2 3.23Å; W110-E113 WeakPolarHBondContact CZ3-OE2 3.32Å; W110-E113 PolarHBondContact O-N 3.07Å; E113-H115 PolarHBondContact O-CD2 2.91Å; E113-I143 HydrophobicContact CB-CG2 3.85Å; E113-I143 HydrophobicContact CG-CG2 3.99Å; E113-K147 VanDerWaalsContact CG-NZ 3.34Å; E113-K147 IonicContact OE1-NZ 3.91Å; E113-K147 PolarHBondContact OE1-NZ 2.99Å
114R96.9Very high97.8Very high112 Ų11238.4 Ų38.442%0.42317%0.172SC..THydrogen-bonded Turntrans-9910.3-176.7-62.2-74.4-57.6-77.2-9.6113.2A80 D81 W110 A111 T112 H116A80-R114 WeakPolarHBondContact O-CB 3.49Å; A80-R114 VanDerWaalsContact O-CG 3.26Å; A80-R114 WeakPolarHBondContact O-CG 3.42Å; A80-R114 PolarHBondContact O-NE 3.19Å; A80-R114 PolarHBondContact O-NH1 2.89Å; A80-R114 PolarHBondContact O-NH2 2.94Å; D81-R114 IonicContact OD1-CZ 2.84Å; D81-R114 IonicContact OD1-NH1 2.8Å; D81-R114 PolarHBondContact OD1-NH1 3.28Å; D81-R114 IonicContact OD1-NH2 3.37Å; D81-R114 PolarHBondContact OD1-NH2 3.29Å; W110-R114 WeakPolarHBondContact O-CB 3.5Å; W110-R114 VanDerWaalsContact O-CG 3.29Å; W110-R114 WeakPolarHBondContact O-CG 3.07Å; W110-R114 PolarHBondContact O-N 3.07Å; W110-R114 VanDerWaalsContact O-N 3.14Å; A111-R114 CarbonylContact O-C 3.52Å; A111-R114 PolarHBondContact O-N 2.84Å; T112-R114 PolarHBondContact O-N 3.3Å; R114-H116 VanDerWaalsContact C-N 3.27Å; R114-H116 VanDerWaalsContact CB-CD2 3.41Å; R114-H116 WeakPolarHBondContact CB-CD2 3.45Å; R114-H116 PolarHBondContact O-N 3.02Å
115H96.5Very high97.7Very high94 Ų9440.2 Ų40.244%0.43518%0.18SC..THydrogen-bonded Turntrans61.624176.5-56.7-114.1000115.2A111 T112 E113 R117 K147 N149A111-H115 PolarHBondContact O-N 2.8Å; A111-H115 VanDerWaalsContact O-N 3.11Å; T112-H115 PolarHBondContact O-N 3.13Å; T112-H115 VanDerWaalsContact O-N 3.15Å; E113-H115 PolarHBondContact O-CD2 2.91Å; H115-R117 PolarHBondContact O-N 2.91Å; H115-K147 PolarHBondContact CE1-O 3.27Å; H115-N149 PolarHBondContact ND1-ND2 2.91Å
116H97.9Very high97.6Very high51 Ų5143 Ų4324%0.23619%0.191CC..  trans-83.875.2-177.4-64-47.9000112.3A79 A80 G82 A111 R114 D118 V119 V120A79-H116 PolarHBondContact O-CD2 3.31Å; A80-H116 PolarHBondContact O-CD2 3.16Å; A80-H116 PolarHBondContact O-NE2 2.93Å; G82-H116 WeakPolarHBondContact CA-CD2 3.45Å; G82-H116 PolarHBondContact N-CD2 3.44Å; G82-H116 VanDerWaalsContact N-CD2 3.29Å; G82-H116 PolarHBondContact N-NE2 3.23Å; A111-H116 HydrophobicContact CB-CB 4.45Å; A111-H116 PolarHBondContact O-N 3.31Å; R114-H116 VanDerWaalsContact C-N 3.27Å; R114-H116 VanDerWaalsContact CB-CD2 3.41Å; R114-H116 WeakPolarHBondContact CB-CD2 3.45Å; R114-H116 PolarHBondContact O-N 3.02Å; H116-D118 PolarHBondContact O-N 3.44Å; H116-V119 HydrophobicContact CB-CB 4.11Å; H116-V119 HydrophobicContact CB-CG2 4.13Å; H116-V119 WeakPolarHBondContact O-CB 3.15Å; H116-V119 PolarHBondContact O-N 2.9Å; H116-V119 VanDerWaalsContact O-N 3.1Å; H116-V120 PolarHBondContact O-N 3.27Å; H116-V120 VanDerWaalsContact O-N 3.09Å
117R97.1Very high97.4Very high100 Ų10045.1 Ų45.138%0.37721%0.212SC..Hα-helixtrans-47.6-54.3-178.4179-177.8160.2-177.4-7.6113.7H115 V119 V120 E121 E151 I152 I155H115-R117 PolarHBondContact O-N 2.91Å; R117-V119 PolarHBondContact O-N 2.79Å; R117-V119 VanDerWaalsContact O-N 3.17Å; R117-V120 WeakPolarHBondContact O-CA 3.39Å; R117-V120 WeakPolarHBondContact O-CB 3.49Å; R117-V120 PolarHBondContact O-N 3.39Å; R117-E121 IonicContact CZ-OE1 3.27Å; R117-E121 VanDerWaalsContact CZ-OE1 3.23Å; R117-E121 IonicContact NE-OE1 3.91Å; R117-E121 PolarHBondContact NE-OE1 3.25Å; R117-E121 IonicContact NH2-OE1 2.73Å; R117-E121 PolarHBondContact NH2-OE1 3.3Å; R117-E121 PolarHBondContact O-N 3.43Å; R117-E151 VanDerWaalsContact CD-OE2 3.23Å; R117-E151 WeakPolarHBondContact CD-OE2 3.23Å; R117-E151 IonicContact CZ-OE2 2.79Å; R117-E151 IonicContact NE-OE2 2.84Å; R117-E151 IonicContact NH1-OE2 2.75Å; R117-E151 PolarHBondContact NH1-OE2 2.91Å; R117-I152 HydrophobicContact CB-CD1 4.42Å; R117-I152 HydrophobicContact CB-CG1 4.23Å; R117-I155 HydrophobicContact CG-CD1 3.65Å
118D97.6Very high97.4Very high112 Ų11245.1 Ų45.160%0.59921%0.212SC*.Hα-helixtrans-56.8-34.9-177.5-55.115.3000112A84 H116 L122A84-D118 HydrophobicContact CB-CB 4.26Å; H116-D118 PolarHBondContact O-N 3.44Å; D118-L122 WeakPolarHBondContact O-CB 3.3Å; D118-L122 PolarHBondContact O-N 3.26Å
119V98.4Very high97.2Very high1 Ų148 Ų481%0.00623%0.228CC..Hα-helixtrans-72.5-39.4175.4174.40000111.1A79 A84 V87 A111 H116 R117 L122 L123A79-V119 HydrophobicContact CB-CG1 3.86Å; A84-V119 HydrophobicContact CB-CG2 3.94Å; V87-V119 HydrophobicContact CG1-CG1 4.39Å; V87-V119 HydrophobicContact CG2-CG1 4.01Å; V87-V119 HydrophobicContact CG2-CG2 4.35Å; A111-V119 HydrophobicContact CB-CB 3.97Å; A111-V119 HydrophobicContact CB-CG1 3.5Å; A111-V119 VanDerWaalsContact CB-CG1 3.5Å; H116-V119 HydrophobicContact CB-CB 4.11Å; H116-V119 HydrophobicContact CB-CG2 4.13Å; H116-V119 WeakPolarHBondContact O-CB 3.15Å; H116-V119 PolarHBondContact O-N 2.9Å; H116-V119 VanDerWaalsContact O-N 3.1Å; R117-V119 PolarHBondContact O-N 2.79Å; R117-V119 VanDerWaalsContact O-N 3.17Å; V119-L122 PolarHBondContact O-N 3.11Å; V119-L123 HydrophobicContact CG1-CD1 3.63Å; V119-L123 HydrophobicContact CG1-CG 4.04Å; V119-L123 WeakPolarHBondContact O-CB 3.24Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.5Å; V119-L123 PolarHBondContact O-N 3.1Å
120V98.3Very high97.1Very high0 Ų048.1 Ų48.10%023%0.229CC..Hα-helixtrans-62.2-50.9176.81700000111L108 A111 T112 H116 R117 L122 L123 I124 I152 I155 L156L108-V120 HydrophobicContact CD1-CB 4.36Å; L108-V120 HydrophobicContact CD1-CG1 3.94Å; L108-V120 HydrophobicContact CD1-CG2 4.3Å; A111-V120 HydrophobicContact CB-CG2 3.76Å; T112-V120 WeakPolarHBondContact OG1-CG2 3.37Å; H116-V120 PolarHBondContact O-N 3.27Å; H116-V120 VanDerWaalsContact O-N 3.09Å; R117-V120 WeakPolarHBondContact O-CA 3.39Å; R117-V120 WeakPolarHBondContact O-CB 3.49Å; R117-V120 PolarHBondContact O-N 3.39Å; V120-L122 VanDerWaalsContact C-N 3.27Å; V120-L122 PolarHBondContact O-N 3.28Å; V120-L123 PolarHBondContact O-N 3.1Å; V120-I124 HydrophobicContact CG1-CD1 3.6Å; V120-I124 HydrophobicContact CG1-CG1 4.48Å; V120-I124 WeakPolarHBondContact O-CB 3.41Å; V120-I124 WeakPolarHBondContact O-CD1 3.17Å; V120-I124 VanDerWaalsContact O-CG1 3.25Å; V120-I124 WeakPolarHBondContact O-CG1 3.32Å; V120-I124 PolarHBondContact O-N 2.73Å; V120-I152 HydrophobicContact CG1-CG2 4.19Å; V120-I152 HydrophobicContact CG2-CD1 4.12Å; V120-I152 HydrophobicContact CG2-CG2 4.3Å; V120-I155 HydrophobicContact CG1-CG2 4.11Å; V120-L156 HydrophobicContact CG1-CD2 4.28Å; V120-L156 HydrophobicContact CG1-CG 4.42Å
121E97.4Very high96.9Very high79 Ų7950.6 Ų50.637%0.36924%0.241SC..Hα-helixtrans-55.6-44175.9-67.7-176.3-164.900111.4R117 K125 I155R117-E121 IonicContact CZ-OE1 3.27Å; R117-E121 VanDerWaalsContact CZ-OE1 3.23Å; R117-E121 IonicContact NE-OE1 3.91Å; R117-E121 PolarHBondContact NE-OE1 3.25Å; R117-E121 IonicContact NH2-OE1 2.73Å; R117-E121 PolarHBondContact NH2-OE1 3.3Å; R117-E121 PolarHBondContact O-N 3.43Å; E121-K125 VanDerWaalsContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 PolarHBondContact O-N 3.31Å; E121-I155 HydrophobicContact CG-CD1 3.87Å; E121-I155 HydrophobicContact CG-CG1 4.43Å; E121-I155 HydrophobicContact CG-CG2 4.04Å; E121-I155 WeakPolarHBondContact OE1-CD1 3.45Å
122L97.8Very high96.8Very high21 Ų2150.7 Ų50.711%0.1124%0.242CC..Hα-helixtrans-67.3-42.9-179.3-173.669.9000113.3A84 V87 E88 D118 V119 V120 K125 Y126A84-L122 HydrophobicContact CB-CD2 4.11Å; A84-L122 WeakPolarHBondContact O-CD2 3.31Å; V87-L122 HydrophobicContact CB-CD2 3.88Å; V87-L122 HydrophobicContact CG1-CD2 3.68Å; V87-L122 HydrophobicContact CG1-CG 4.31Å; E88-L122 HydrophobicContact CB-CD1 4.31Å; E88-L122 HydrophobicContact CB-CD2 3.94Å; D118-L122 WeakPolarHBondContact O-CB 3.3Å; D118-L122 PolarHBondContact O-N 3.26Å; V119-L122 PolarHBondContact O-N 3.11Å; V120-L122 VanDerWaalsContact C-N 3.27Å; V120-L122 PolarHBondContact O-N 3.28Å; L122-K125 PolarHBondContact O-N 2.78Å; L122-Y126 HydrophobicContact CD1-CD2 4.11Å; L122-Y126 HydrophobicContact CD1-CE2 3.61Å; L122-Y126 HydrophobicContact CG-CD2 4.2Å; L122-Y126 HydrophobicContact CG-CE2 4.11Å; L122-Y126 VanDerWaalsContact O-CD2 3.23Å; L122-Y126 WeakPolarHBondContact O-CD2 3.46Å; L122-Y126 PolarHBondContact O-N 3.49Å
123L97.9Very high96.7Very high0 Ų056 Ų560%027%0.265CS..Hα-helixtrans-66.6-43.4177.9-75.1172.2000111.2L75 A79 V87 V97 A107 L108 A111 V119 V120 K125 Y126 G127 A128L75-L123 HydrophobicContact CD1-CD2 4.49Å; A79-L123 HydrophobicContact CB-CD1 4.32Å; V87-L123 HydrophobicContact CG1-CD2 3.69Å; V87-L123 HydrophobicContact CG1-CG 4.02Å; V97-L123 HydrophobicContact CG1-CD2 4.04Å; A107-L123 HydrophobicContact CB-CD1 3.9Å; A107-L123 HydrophobicContact CB-CD2 4.15Å; L108-L123 HydrophobicContact CB-CD1 4.33Å; L108-L123 HydrophobicContact CD1-CB 4.21Å; L108-L123 HydrophobicContact CD1-CD1 4.49Å; A111-L123 HydrophobicContact CB-CD1 4.27Å; V119-L123 HydrophobicContact CG1-CD1 3.63Å; V119-L123 HydrophobicContact CG1-CG 4.04Å; V119-L123 WeakPolarHBondContact O-CB 3.24Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.5Å; V119-L123 PolarHBondContact O-N 3.1Å; V120-L123 PolarHBondContact O-N 3.1Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 2.92Å; L123-Y126 CarbonylContact O-C 3.54Å; L123-Y126 PolarHBondContact O-N 3.17Å; L123-G127 PolarHBondContact O-N 3.47Å; L123-A128 HydrophobicContact CB-CB 4Å; L123-A128 VanDerWaalsContact O-CB 3.25Å; L123-A128 WeakPolarHBondContact O-CB 3.44Å; L123-A128 PolarHBondContact O-N 3.38Å
124I97.1Very high96.7Very high32 Ų3253.5 Ų53.516%0.16425%0.254CS..Hα-helixtrans-59.1-46.4174.8-68.5164.2000110.3L108 V120 Y126 G127 V130 I155 L156 A159L108-I124 HydrophobicContact CD1-CD1 4.46Å; L108-I124 HydrophobicContact CD1-CG1 4.07Å; V120-I124 HydrophobicContact CG1-CD1 3.6Å; V120-I124 HydrophobicContact CG1-CG1 4.48Å; V120-I124 WeakPolarHBondContact O-CB 3.41Å; V120-I124 WeakPolarHBondContact O-CD1 3.17Å; V120-I124 VanDerWaalsContact O-CG1 3.25Å; V120-I124 WeakPolarHBondContact O-CG1 3.32Å; V120-I124 PolarHBondContact O-N 2.73Å; I124-Y126 PolarHBondContact O-N 3.36Å; I124-G127 PolarHBondContact O-N 3.1Å; I124-V130 HydrophobicContact CD1-CG1 4.45Å; I124-V130 HydrophobicContact CG1-CG1 4.05Å; I124-I155 HydrophobicContact CD1-CG2 3.79Å; I124-L156 HydrophobicContact CD1-CD2 3.98Å; I124-A159 HydrophobicContact CD1-CB 3.9Å; I124-A159 HydrophobicContact CG1-CB 4.32Å; I124-A159 HydrophobicContact CG2-CB 3.63Å
125K96.3Very high96.7Very high150 Ų15054.7 Ų54.765%0.65226%0.262SS*.Hα-helixtrans-58.4-29.4177177.2-176.8175.8-173.30113.8E121 L122 L123E121-K125 VanDerWaalsContact O-CB 3.27Å; E121-K125 WeakPolarHBondContact O-CB 3.43Å; E121-K125 PolarHBondContact O-N 3.31Å; L122-K125 PolarHBondContact O-N 2.78Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 2.92Å
126Y96.1Very high96.6Very high68 Ų6855.9 Ų55.927%0.26727%0.266SS..THydrogen-bonded Turntrans-96.815.4174.8-71-66.6000114E88 V91 R92 L122 L123 I124E88-Y126 HydrophobicContact CG-CE2 4.12Å; E88-Y126 PolarHBondContact OE1-OH 2.9Å; V91-Y126 HydrophobicContact CB-CD2 4.4Å; V91-Y126 HydrophobicContact CB-CG 4.49Å; V91-Y126 HydrophobicContact CG1-CD1 3.99Å; V91-Y126 HydrophobicContact CG1-CD2 3.96Å; V91-Y126 HydrophobicContact CG1-CG 3.58Å; R92-Y126 HydrophobicContact CG-CE1 4.49Å; R92-Y126 PolarHBondContact NE-OH 3.45Å; R92-Y126 PolarHBondContact NH2-OH 3.29Å; L122-Y126 HydrophobicContact CD1-CD2 4.11Å; L122-Y126 HydrophobicContact CD1-CE2 3.61Å; L122-Y126 HydrophobicContact CG-CD2 4.2Å; L122-Y126 HydrophobicContact CG-CE2 4.11Å; L122-Y126 VanDerWaalsContact O-CD2 3.23Å; L122-Y126 WeakPolarHBondContact O-CD2 3.46Å; L122-Y126 PolarHBondContact O-N 3.49Å; L123-Y126 CarbonylContact O-C 3.54Å; L123-Y126 PolarHBondContact O-N 3.17Å; I124-Y126 PolarHBondContact O-N 3.36Å
127G94.1Very high96.5Very high43 Ų4359.9 Ų59.944%0.44329%0.29SS..THydrogen-bonded Turntrans88.531.8171.300000115.4N98 L123 I124 D129N98-G127 PolarHBondContact ND2-O 3.28Å; L123-G127 PolarHBondContact O-N 3.47Å; I124-G127 PolarHBondContact O-N 3.1Å; G127-D129 PolarHBondContact O-N 3.34Å
128A96.8Very high96.5Very high1 Ų158.2 Ų58.21%0.00829%0.285CS..  trans-63.6132.1167.400000111.4V97 N98 L108 L123 V130 Q163V97-A128 HydrophobicContact CG1-CB 3.7Å; N98-A128 WeakPolarHBondContact OD1-CA 3.36Å; L108-A128 HydrophobicContact CB-CB 4.32Å; L108-A128 HydrophobicContact CD2-CB 4.11Å; L123-A128 HydrophobicContact CB-CB 4Å; L123-A128 VanDerWaalsContact O-CB 3.25Å; L123-A128 WeakPolarHBondContact O-CB 3.44Å; L123-A128 PolarHBondContact O-N 3.38Å; A128-V130 PolarHBondContact O-N 3.42Å; A128-Q163 PolarHBondContact O-NE2 2.8Å
129D95.9Very high96.4Very high62 Ų6253.3 Ų53.333%0.33226%0.259SS..  trans-70.9108172.9175.810.6000109.6N98 G127 H131 A132N98-D129 PolarHBondContact OD1-N 3.45Å; G127-D129 PolarHBondContact O-N 3.34Å; D129-H131 VanDerWaalsContact C-N 3.26Å; D129-H131 WeakPolarHBondContact OD1-CA 3.44Å; D129-H131 WeakPolarHBondContact OD1-CB 3.32Å; D129-H131 PolarHBondContact OD1-N 2.89Å; D129-A132 HydrophobicContact CB-CB 4.07Å; D129-A132 VanDerWaalsContact CG-N 3.31Å; D129-A132 WeakPolarHBondContact O-CB 3.35Å; D129-A132 PolarHBondContact O-N 3.49Å; D129-A132 PolarHBondContact OD1-N 3.28Å; D129-A132 VanDerWaalsContact OD1-N 3.1Å; D129-A132 WeakPolarHBondContact OD2-CA 3.25Å; D129-A132 WeakPolarHBondContact OD2-CB 3.34Å; D129-A132 PolarHBondContact OD2-N 3.1Å
130V95.7Very high96.3Very high2 Ų253.2 Ų53.21%0.01226%0.259CS..THydrogen-bonded Turntrans-76.6-15.2177.8-61.20000112.8L108 I124 A128 L156 A159 M160L108-V130 HydrophobicContact CD2-CB 4.48Å; L108-V130 HydrophobicContact CD2-CG1 4.02Å; I124-V130 HydrophobicContact CD1-CG1 4.45Å; I124-V130 HydrophobicContact CG1-CG1 4.05Å; A128-V130 PolarHBondContact O-N 3.42Å; V130-L156 HydrophobicContact CG1-CD2 4.12Å; V130-A159 HydrophobicContact CG1-CB 3.94Å; V130-M160 HydrophobicContact CB-CG 4.12Å; V130-M160 HydrophobicContact CG2-CB 4.3Å; V130-M160 HydrophobicContact CG2-CG 3.53Å
131H94.9Very high96.3Very high76 Ų7655.6 Ų55.635%0.35227%0.269SS..THydrogen-bonded Turntrans-96.91.5177.4-56-67.6000112.6D129 F133D129-H131 VanDerWaalsContact C-N 3.26Å; D129-H131 WeakPolarHBondContact OD1-CA 3.44Å; D129-H131 WeakPolarHBondContact OD1-CB 3.32Å; D129-H131 PolarHBondContact OD1-N 2.89Å; H131-F133 WeakPolarHBondContact O-CD2 3.39Å; H131-F133 WeakPolarHBondContact O-CE2 3.4Å; H131-F133 PolarHBondContact O-N 3.06Å
132A94.7Very high96.2Very high3 Ų354.4 Ų54.43%0.02527%0.266CS..  trans-61.6126.8173.800000110.4T106 H109 D129 S139T106-A132 HydrophobicContact CG2-CB 4.29Å; H109-A132 PolarHBondContact CE1-O 3.16Å; H109-A132 PolarHBondContact NE2-O 3.22Å; H109-A132 VanDerWaalsContact NE2-O 3.12Å; D129-A132 HydrophobicContact CB-CB 4.07Å; D129-A132 VanDerWaalsContact CG-N 3.31Å; D129-A132 WeakPolarHBondContact O-CB 3.35Å; D129-A132 PolarHBondContact O-N 3.49Å; D129-A132 PolarHBondContact OD1-N 3.28Å; D129-A132 VanDerWaalsContact OD1-N 3.1Å; D129-A132 WeakPolarHBondContact OD2-CA 3.25Å; D129-A132 WeakPolarHBondContact OD2-CB 3.34Å; D129-A132 PolarHBondContact OD2-N 3.1Å; A132-S139 WeakPolarHBondContact O-CA 3.48Å
133F96.4Very high96.1Very high110 Ų11054 Ų5448%0.48226%0.263SS..  trans-93.6145171.2-65.2-81000112.7K100 H131 D137K100-F133 PolarHBondContact NZ-O 2.96Å; H131-F133 WeakPolarHBondContact O-CD2 3.39Å; H131-F133 WeakPolarHBondContact O-CE2 3.4Å; H131-F133 PolarHBondContact O-N 3.06Å; F133-D137 WeakPolarHBondContact CD1-O 3.2Å
134S96.7Very high96.1Very high6 Ų654 Ų544%0.04226%0.263CS..  trans-81177166.265.10000112.4H109 F136 D137 K138H109-S134 PolarHBondContact NE2-N 3.35Å; S134-F136 PolarHBondContact O-N 2.94Å; S134-F136 VanDerWaalsContact O-N 3.12Å; S134-D137 PolarHBondContact O-N 2.98Å; S134-K138 WeakPolarHBondContact CB-O 3.2Å; S134-K138 PolarHBondContact N-O 3.34Å; S134-K138 PolarHBondContact OG-O 2.93Å
135K96.4Very high96Very high137 Ų13757.3 Ų57.360%0.59628%0.281SS*.THydrogen-bonded Turntrans-64.8-9.8176.9-176.5176.4177.1-174.80113.9L103 K104L103-K135 WeakPolarHBondContact O-CB 3.39Å; L103-K135 PolarHBondContact O-N 2.95Å; K104-K135 HydrophobicContact CB-CB 4.43Å; K104-K135 HydrophobicContact CG-CB 4.43Å
136F95.7Very high96Very high119 Ų11955.9 Ų55.952%0.52228%0.277SS..THydrogen-bonded Turntrans-105.115.7178.9-52.3-72.2000112.5L103 S134 K138L103-F136 HydrophobicContact CD1-CE2 4.43Å; L103-F136 HydrophobicContact CD2-CE2 4.41Å; L103-F136 HydrophobicContact CD2-CZ 4.28Å; S134-F136 PolarHBondContact O-N 2.94Å; S134-F136 VanDerWaalsContact O-N 3.12Å; F136-K138 HydrophobicContact CB-CD 4.49Å; F136-K138 HydrophobicContact CB-CG 4.4Å; F136-K138 PolarHBondContact O-N 3.04Å; F136-K138 VanDerWaalsContact O-N 3.12Å
137D95.9Very high95.8Very high135 Ų13556.4 Ų56.472%0.72228%0.28SS*.SBendtrans56.722.9-175.4-55.4-44.9000114.3F133 S134F133-D137 WeakPolarHBondContact CD1-O 3.2Å; S134-D137 PolarHBondContact O-N 2.98Å
138K95.8Very high95.8Very high65 Ų6561 Ų6128%0.28330%0.295SS..  trans-99.6131.1173.5-60.5179.9-169.7-175.30110.5H109 S134 F136 D142 I143 E146H109-K138 PolarHBondContact NE2-O 2.83Å; S134-K138 WeakPolarHBondContact CB-O 3.2Å; S134-K138 PolarHBondContact N-O 3.34Å; S134-K138 PolarHBondContact OG-O 2.93Å; F136-K138 HydrophobicContact CB-CD 4.49Å; F136-K138 HydrophobicContact CB-CG 4.4Å; F136-K138 PolarHBondContact O-N 3.04Å; F136-K138 VanDerWaalsContact O-N 3.12Å; K138-D142 HydrophobicContact CB-CB 4.05Å; K138-D142 HydrophobicContact CG-CB 4.35Å; K138-I143 HydrophobicContact CB-CG1 4.25Å; K138-E146 WeakPolarHBondContact CE-OE1 3.31Å; K138-E146 IonicContact NZ-OE1 3.31Å; K138-E146 PolarHBondContact NZ-OE1 3.35Å; K138-E146 IonicContact NZ-OE2 2.66Å; K138-E146 PolarHBondContact NZ-OE2 3.26Å
139S96.8Very high95.7Very high9 Ų961.9 Ų61.96%0.06330%0.3CS..  trans-80.8178.6164.872.40000111.4A132 F141 D142 I143A132-S139 WeakPolarHBondContact O-CA 3.48Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 3.46Å; S139-F141 PolarHBondContact OG-N 2.82Å; S139-D142 VanDerWaalsContact CB-OD2 3.27Å; S139-D142 WeakPolarHBondContact CB-OD2 3.44Å; S139-D142 PolarHBondContact N-OD2 3.42Å; S139-D142 PolarHBondContact O-N 3.38Å; S139-D142 PolarHBondContact OG-N 3.04Å; S139-D142 PolarHBondContact OG-OD2 3.18Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 2.97Å
140A96.2Very high95.6Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-60.2-36.3169.100000112.3L108 T112 I143 A144 L156L108-A140 HydrophobicContact CD2-CB 3.9Å; L108-A140 HydrophobicContact CG-CB 3.92Å; T112-A140 VanDerWaalsContact CG2-O 3.28Å; T112-A140 WeakPolarHBondContact CG2-O 3.4Å; A140-I143 PolarHBondContact O-N 3.32Å; A140-A144 PolarHBondContact O-N 3.36Å; A140-L156 HydrophobicContact CB-CD1 4Å; A140-L156 HydrophobicContact CB-CD2 4.07Å
141F97Very high95.5Very high49 Ų4967.3 Ų67.322%0.21533%0.334CS..Hα-helixtrans-66.5-41.8-179.7-177-91000111.8S139 I143 A144 L145 L153 L156 Q157 M160S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 3.46Å; S139-F141 PolarHBondContact OG-N 2.82Å; F141-I143 VanDerWaalsContact C-N 3.32Å; F141-I143 PolarHBondContact O-N 2.97Å; F141-A144 WeakPolarHBondContact O-CB 3.29Å; F141-A144 PolarHBondContact O-N 3.08Å; F141-A144 VanDerWaalsContact O-N 3.15Å; F141-L145 PolarHBondContact O-N 2.98Å; F141-L153 HydrophobicContact CD1-CD2 4.47Å; F141-L153 HydrophobicContact CD2-CD2 3.86Å; F141-L153 HydrophobicContact CE1-CD2 4.17Å; F141-L153 HydrophobicContact CE2-CD2 3.5Å; F141-L153 HydrophobicContact CG-CD2 4.33Å; F141-L153 HydrophobicContact CZ-CD2 3.68Å; F141-L156 HydrophobicContact CD2-CB 4.08Å; F141-Q157 HydrophobicContact CE2-CB 4.2Å; F141-M160 HydrophobicContact CB-SD 4.03Å; F141-M160 HydrophobicContact CD2-SD 4.01Å; F141-M160 HydrophobicContact CG-SD 4.11Å
142D96.5Very high95.6Very high55 Ų5563.7 Ų63.729%0.29432%0.317SS..Hα-helixtrans-64.5-38.5177.9-52.4-61.1000111.5K138 S139 L145 E146K138-D142 HydrophobicContact CB-CB 4.05Å; K138-D142 HydrophobicContact CG-CB 4.35Å; S139-D142 VanDerWaalsContact CB-OD2 3.27Å; S139-D142 WeakPolarHBondContact CB-OD2 3.44Å; S139-D142 PolarHBondContact N-OD2 3.42Å; S139-D142 PolarHBondContact O-N 3.38Å; S139-D142 PolarHBondContact OG-N 3.04Å; S139-D142 PolarHBondContact OG-OD2 3.18Å; D142-L145 WeakPolarHBondContact O-CB 3.17Å; D142-L145 PolarHBondContact O-N 3.31Å; D142-E146 WeakPolarHBondContact O-CG 3.35Å; D142-E146 PolarHBondContact O-N 3.49Å
143I96.1Very high95.7Very high11 Ų1164.7 Ų64.76%0.05632%0.322CS..Hα-helixtrans-64.2-43.6172.8-64.5172.8000110.6M105 H109 T112 E113 K138 S139 A140 F141 L145 E146 K147M105-I143 HydrophobicContact CE-CD1 4.47Å; H109-I143 HydrophobicContact CB-CD1 4.1Å; T112-I143 HydrophobicContact CG2-CB 4.25Å; T112-I143 HydrophobicContact CG2-CG2 4.08Å; E113-I143 HydrophobicContact CB-CG2 3.85Å; E113-I143 HydrophobicContact CG-CG2 3.99Å; K138-I143 HydrophobicContact CB-CG1 4.25Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 2.97Å; A140-I143 PolarHBondContact O-N 3.32Å; F141-I143 VanDerWaalsContact C-N 3.32Å; F141-I143 PolarHBondContact O-N 2.97Å; I143-L145 PolarHBondContact O-N 3.46Å; I143-E146 PolarHBondContact O-N 3.29Å; I143-K147 HydrophobicContact CG2-CG 4.17Å; I143-K147 WeakPolarHBondContact O-CB 3.17Å; I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 2.82Å
144A96.6Very high95.7Very high0 Ų063.8 Ų63.80%033%0.325CS..Hα-helixtrans-60.9-35.8176.800000112.2T112 A140 F141 N148 N149 I152 L153 L156T112-A144 HydrophobicContact CG2-CB 3.67Å; A140-A144 PolarHBondContact O-N 3.36Å; F141-A144 WeakPolarHBondContact O-CB 3.29Å; F141-A144 PolarHBondContact O-N 3.08Å; F141-A144 VanDerWaalsContact O-N 3.15Å; A144-N148 PolarHBondContact O-N 2.92Å; A144-N148 VanDerWaalsContact O-N 3.17Å; A144-N149 PolarHBondContact O-N 3.43Å; A144-I152 HydrophobicContact CB-CB 4.49Å; A144-I152 HydrophobicContact CB-CG2 4.01Å; A144-L153 HydrophobicContact CB-CD2 3.8Å; A144-L153 HydrophobicContact CB-CG 3.83Å; A144-L156 HydrophobicContact CB-CD1 4Å
145L96.1Very high95.6Very high103 Ų10364.8 Ų64.854%0.53933%0.33SS..Hα-helixtrans-68.5-49.6176.5-171.664.1000111.8F141 D142 I143 K147 N148 L153F141-L145 PolarHBondContact O-N 2.98Å; D142-L145 WeakPolarHBondContact O-CB 3.17Å; D142-L145 PolarHBondContact O-N 3.31Å; I143-L145 PolarHBondContact O-N 3.46Å; L145-K147 VanDerWaalsContact C-N 3.29Å; L145-K147 PolarHBondContact O-N 3.37Å; L145-N148 PolarHBondContact O-N 3.3Å; L145-L153 HydrophobicContact CB-CD2 4.08Å; L145-L153 HydrophobicContact CD1-CD1 4.23Å; L145-L153 HydrophobicContact CD1-CD2 4.43Å
146E95.1Very high95.6Very high120 Ų12058.3 Ų58.356%0.56130%0.302SS*.Hα-helixtrans-62.9-33.4177.8-73.7-174.5162.500113.3K138 D142 I143 N148K138-E146 WeakPolarHBondContact CE-OE1 3.31Å; K138-E146 IonicContact NZ-OE1 3.31Å; K138-E146 PolarHBondContact NZ-OE1 3.35Å; K138-E146 IonicContact NZ-OE2 2.66Å; K138-E146 PolarHBondContact NZ-OE2 3.26Å; D142-E146 WeakPolarHBondContact O-CG 3.35Å; D142-E146 PolarHBondContact O-N 3.49Å; I143-E146 PolarHBondContact O-N 3.29Å; E146-N148 VanDerWaalsContact C-N 3.28Å
147K93.3Very high95.5Very high78 Ų7858.6 Ų58.634%0.33931%0.305SS..THydrogen-bonded Turntrans-84.61.2174.6-56.1-67.6-176.3171.80113.1E113 H115 I143 L145 N149E113-K147 VanDerWaalsContact CG-NZ 3.34Å; E113-K147 IonicContact OE1-NZ 3.91Å; E113-K147 PolarHBondContact OE1-NZ 2.99Å; H115-K147 PolarHBondContact CE1-O 3.27Å; I143-K147 HydrophobicContact CG2-CG 4.17Å; I143-K147 WeakPolarHBondContact O-CB 3.17Å; I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 2.82Å; L145-K147 VanDerWaalsContact C-N 3.29Å; L145-K147 PolarHBondContact O-N 3.37Å; K147-N149 VanDerWaalsContact C-N 3.28Å; K147-N149 PolarHBondContact O-N 3.38Å
148N94.1Very high95.4Very high140 Ų14058.1 Ų58.175%0.74930%0.298SS*.THydrogen-bonded Turntrans5240.1-178.5-168.138.1000113.9A144 L145 E146 A150A144-N148 PolarHBondContact O-N 2.92Å; A144-N148 VanDerWaalsContact O-N 3.17Å; L145-N148 PolarHBondContact O-N 3.3Å; E146-N148 VanDerWaalsContact C-N 3.28Å; N148-A150 PolarHBondContact O-N 2.78Å
149N93.4Very high95.3Very high20 Ų2055.3 Ų55.311%0.10729%0.287CS..  trans-93.988.4-177.8-169.5-27.7000111.4H115 A144 K147 E151 I152 L153H115-N149 PolarHBondContact ND1-ND2 2.91Å; A144-N149 PolarHBondContact O-N 3.43Å; K147-N149 VanDerWaalsContact C-N 3.28Å; K147-N149 PolarHBondContact O-N 3.38Å; N149-E151 VanDerWaalsContact C-N 3.31Å; N149-E151 PolarHBondContact O-N 3.44Å; N149-E151 PolarHBondContact OD1-N 3.03Å; N149-I152 HydrophobicContact CB-CB 4.34Å; N149-I152 VanDerWaalsContact ND2-CD1 3.28Å; N149-I152 WeakPolarHBondContact ND2-CD1 3.43Å; N149-I152 PolarHBondContact O-N 2.97Å; N149-I152 PolarHBondContact OD1-N 3.35Å; N149-I152 VanDerWaalsContact OD1-N 3.13Å; N149-L153 WeakPolarHBondContact O-CB 3.49Å; N149-L153 VanDerWaalsContact O-CG 3.31Å; N149-L153 WeakPolarHBondContact O-CG 3.3Å; N149-L153 PolarHBondContact O-N 2.78Å
150A94.1Very high95Very high66 Ų6657.5 Ų57.555%0.54530%0.297SS..Hα-helixtrans-57.6-36-178.100000114.3N148 V154N148-A150 PolarHBondContact O-N 2.78Å; A150-V154 WeakPolarHBondContact O-CG2 3.24Å; A150-V154 PolarHBondContact O-N 3.18Å
151E94.4Very high94.7Very high111 Ų11162.6 Ų62.652%0.51932%0.321SS..Hα-helixtrans-68.2-48.1179.1-67.8-172.7-137.100111.4R117 N149 L153 V154 I155R117-E151 VanDerWaalsContact CD-OE2 3.23Å; R117-E151 WeakPolarHBondContact CD-OE2 3.23Å; R117-E151 IonicContact CZ-OE2 2.79Å; R117-E151 IonicContact NE-OE2 2.84Å; R117-E151 IonicContact NH1-OE2 2.75Å; R117-E151 PolarHBondContact NH1-OE2 2.91Å; N149-E151 VanDerWaalsContact C-N 3.31Å; N149-E151 PolarHBondContact O-N 3.44Å; N149-E151 PolarHBondContact OD1-N 3.03Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.42Å; E151-V154 PolarHBondContact O-N 2.97Å; E151-I155 WeakPolarHBondContact O-CD1 3.38Å; E151-I155 WeakPolarHBondContact O-CG1 3.28Å; E151-I155 PolarHBondContact O-N 2.82Å
152I96.4Very high94.2Very high0 Ų064.3 Ų64.30%033%0.332CS..Hα-helixtrans-69.8-32.2179.5-65.2-176.6000111.5T112 R117 V120 A144 N149 I155 L156T112-I152 HydrophobicContact CG2-CG2 3.78Å; R117-I152 HydrophobicContact CB-CD1 4.42Å; R117-I152 HydrophobicContact CB-CG1 4.23Å; V120-I152 HydrophobicContact CG1-CG2 4.19Å; V120-I152 HydrophobicContact CG2-CD1 4.12Å; V120-I152 HydrophobicContact CG2-CG2 4.3Å; A144-I152 HydrophobicContact CB-CB 4.49Å; A144-I152 HydrophobicContact CB-CG2 4.01Å; N149-I152 HydrophobicContact CB-CB 4.34Å; N149-I152 VanDerWaalsContact ND2-CD1 3.28Å; N149-I152 WeakPolarHBondContact ND2-CD1 3.43Å; N149-I152 PolarHBondContact O-N 2.97Å; N149-I152 PolarHBondContact OD1-N 3.35Å; N149-I152 VanDerWaalsContact OD1-N 3.13Å; I152-I155 PolarHBondContact O-N 2.96Å; I152-L156 HydrophobicContact CG2-CD1 3.61Å; I152-L156 HydrophobicContact CG2-CG 4.09Å; I152-L156 WeakPolarHBondContact O-CB 3.43Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 2.8Å
153L96.4Very high93.3Very high25 Ų2564.4 Ų64.413%0.13133%0.331CS..Hα-helixtrans-58.2-47172.4-81.3168000112.4F141 A144 L145 N149 E151 L156 Q157F141-L153 HydrophobicContact CD1-CD2 4.47Å; F141-L153 HydrophobicContact CD2-CD2 3.86Å; F141-L153 HydrophobicContact CE1-CD2 4.17Å; F141-L153 HydrophobicContact CE2-CD2 3.5Å; F141-L153 HydrophobicContact CG-CD2 4.33Å; F141-L153 HydrophobicContact CZ-CD2 3.68Å; A144-L153 HydrophobicContact CB-CD2 3.8Å; A144-L153 HydrophobicContact CB-CG 3.83Å; L145-L153 HydrophobicContact CB-CD2 4.08Å; L145-L153 HydrophobicContact CD1-CD1 4.23Å; L145-L153 HydrophobicContact CD1-CD2 4.43Å; N149-L153 WeakPolarHBondContact O-CB 3.49Å; N149-L153 VanDerWaalsContact O-CG 3.31Å; N149-L153 WeakPolarHBondContact O-CG 3.3Å; N149-L153 PolarHBondContact O-N 2.78Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.42Å; L153-L156 PolarHBondContact O-N 3.38Å; L153-Q157 VanDerWaalsContact O-CB 3.29Å; L153-Q157 WeakPolarHBondContact O-CB 3.49Å; L153-Q157 PolarHBondContact O-N 3.22Å
154V95.9Very high91.7Very high91 Ų9167.9 Ų67.955%0.55235%0.352SS*.Hα-helixtrans-63.4-45.8178.6171.30000111A150 E151 L156 Q157 E158A150-V154 WeakPolarHBondContact O-CG2 3.24Å; A150-V154 PolarHBondContact O-N 3.18Å; E151-V154 PolarHBondContact O-N 2.97Å; V154-L156 PolarHBondContact O-N 2.73Å; V154-Q157 PolarHBondContact O-N 2.98Å; V154-E158 PolarHBondContact O-N 3.41Å
155I95.9Very high89.8Confident27 Ų2773.1 Ų73.114%0.13838%0.381CS..Hα-helixtrans-61.6-43.4179.4-67.2160.3000111.3R117 V120 E121 I124 E151 I152 A159R117-I155 HydrophobicContact CG-CD1 3.65Å; V120-I155 HydrophobicContact CG1-CG2 4.11Å; E121-I155 HydrophobicContact CG-CD1 3.87Å; E121-I155 HydrophobicContact CG-CG1 4.43Å; E121-I155 HydrophobicContact CG-CG2 4.04Å; E121-I155 WeakPolarHBondContact OE1-CD1 3.45Å; I124-I155 HydrophobicContact CD1-CG2 3.79Å; E151-I155 WeakPolarHBondContact O-CD1 3.38Å; E151-I155 WeakPolarHBondContact O-CG1 3.28Å; E151-I155 PolarHBondContact O-N 2.82Å; I152-I155 PolarHBondContact O-N 2.96Å; I155-A159 VanDerWaalsContact O-CB 3.28Å; I155-A159 WeakPolarHBondContact O-CB 3.48Å; I155-A159 PolarHBondContact O-N 3.46Å
156L95.4Very high87.8Confident1 Ų174 Ų741%0.00539%0.39CS..Hα-helixtrans-69.2-39.2177.1-72.8169.5000112L108 T112 V120 I124 V130 A140 F141 A144 I152 L153 V154 A159 M160L108-L156 HydrophobicContact CD1-CD2 4.45Å; L108-L156 HydrophobicContact CD2-CD2 4.29Å; T112-L156 HydrophobicContact CG2-CD1 4.23Å; V120-L156 HydrophobicContact CG1-CD2 4.28Å; V120-L156 HydrophobicContact CG1-CG 4.42Å; I124-L156 HydrophobicContact CD1-CD2 3.98Å; V130-L156 HydrophobicContact CG1-CD2 4.12Å; A140-L156 HydrophobicContact CB-CD1 4Å; A140-L156 HydrophobicContact CB-CD2 4.07Å; F141-L156 HydrophobicContact CD2-CB 4.08Å; A144-L156 HydrophobicContact CB-CD1 4Å; I152-L156 HydrophobicContact CG2-CD1 3.61Å; I152-L156 HydrophobicContact CG2-CG 4.09Å; I152-L156 WeakPolarHBondContact O-CB 3.43Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 2.8Å; L153-L156 PolarHBondContact O-N 3.38Å; V154-L156 PolarHBondContact O-N 2.73Å; L156-A159 PolarHBondContact O-N 3.04Å; L156-M160 WeakPolarHBondContact O-CB 3.4Å; L156-M160 WeakPolarHBondContact O-CG 3.46Å; L156-M160 PolarHBondContact O-N 3.02Å
157Q94.1Very high85.3Confident124 Ų12473.4 Ų73.458%0.57939%0.391SS*.Hα-helixtrans-63.4-43.1176.8-173.6174.40.700111.9F141 L153 V154 M160 Q161F141-Q157 HydrophobicContact CE2-CB 4.2Å; L153-Q157 VanDerWaalsContact O-CB 3.29Å; L153-Q157 WeakPolarHBondContact O-CB 3.49Å; L153-Q157 PolarHBondContact O-N 3.22Å; V154-Q157 PolarHBondContact O-N 2.98Å; Q157-M160 PolarHBondContact O-N 2.85Å; Q157-Q161 PolarHBondContact O-N 3.35Å; Q157-Q161 VanDerWaalsContact O-N 3.13Å
158E93.1Very high83Confident125 Ų12575.3 Ų75.358%0.58441%0.411SS*.Hα-helixtrans-62.5-45.5173.4-174.9-179.9169.400111.2V154 M160 Q161 N162V154-E158 PolarHBondContact O-N 3.41Å; E158-M160 PolarHBondContact O-N 2.9Å; E158-Q161 PolarHBondContact O-N 3.49Å; E158-N162 WeakPolarHBondContact O-CB 3.14Å; E158-N162 PolarHBondContact O-N 3.05Å; E158-N162 PolarHBondContact O-ND2 2.92Å
159A93.6Very high80.4Confident7 Ų777.3 Ų77.36%0.05842%0.416CS..Hα-helixtrans-62.5-40.6178.200000113.1I124 V130 I155 L156 N162 Q163I124-A159 HydrophobicContact CD1-CB 3.9Å; I124-A159 HydrophobicContact CG1-CB 4.32Å; I124-A159 HydrophobicContact CG2-CB 3.63Å; V130-A159 HydrophobicContact CG1-CB 3.94Å; I155-A159 VanDerWaalsContact O-CB 3.28Å; I155-A159 WeakPolarHBondContact O-CB 3.48Å; I155-A159 PolarHBondContact O-N 3.46Å; L156-A159 PolarHBondContact O-N 3.04Å; A159-N162 PolarHBondContact O-N 3.28Å; A159-Q163 WeakPolarHBondContact O-CG 3.25Å; A159-Q163 PolarHBondContact O-N 3.49Å
160M92Very high78.1Confident55 Ų5587.7 Ų87.727%0.27145%0.453SS..Hα-helixtrans-61.2-46.5174.5-72.4165.470.400111.2V130 F141 L156 Q157 E158 N162 Q163 V164V130-M160 HydrophobicContact CB-CG 4.12Å; V130-M160 HydrophobicContact CG2-CB 4.3Å; V130-M160 HydrophobicContact CG2-CG 3.53Å; F141-M160 HydrophobicContact CB-SD 4.03Å; F141-M160 HydrophobicContact CD2-SD 4.01Å; F141-M160 HydrophobicContact CG-SD 4.11Å; L156-M160 WeakPolarHBondContact O-CB 3.4Å; L156-M160 WeakPolarHBondContact O-CG 3.46Å; L156-M160 PolarHBondContact O-N 3.02Å; Q157-M160 PolarHBondContact O-N 2.85Å; E158-M160 PolarHBondContact O-N 2.9Å; M160-N162 VanDerWaalsContact C-N 3.31Å; M160-N162 PolarHBondContact O-N 3Å; M160-Q163 PolarHBondContact O-N 3.43Å; M160-V164 WeakPolarHBondContact O-CB 3.25Å; M160-V164 VanDerWaalsContact O-CG2 3.3Å; M160-V164 WeakPolarHBondContact O-CG2 3.32Å; M160-V164 PolarHBondContact O-N 3.47Å
161Q88.4Confident75.2Confident107 Ų10788.7 Ų88.750%0.546%0.462SS..Hα-helixtrans-63.1-38.1177.4-175.858.88000112.1Q157 E158 N165Q157-Q161 PolarHBondContact O-N 3.35Å; Q157-Q161 VanDerWaalsContact O-N 3.13Å; E158-Q161 PolarHBondContact O-N 3.49Å; Q161-N165 PolarHBondContact NE2-ND2 3.33Å; Q161-N165 PolarHBondContact NE2-OD1 3.15Å; Q161-N165 VanDerWaalsContact NE2-OD1 3.1Å; Q161-N165 WeakPolarHBondContact O-CB 3.29Å; Q161-N165 PolarHBondContact O-N 3.17Å; Q161-N165 VanDerWaalsContact O-N 3.17Å; Q161-N165 PolarHBondContact O-ND2 2.87Å
162N86.7Confident72.3Confident85 Ų8591 Ų9146%0.45548%0.478SS..Hα-helixtrans-70.1-42.9177.8-74.5-30.5000112.6E158 A159 M160 N165 V166E158-N162 WeakPolarHBondContact O-CB 3.14Å; E158-N162 PolarHBondContact O-N 3.05Å; E158-N162 PolarHBondContact O-ND2 2.92Å; A159-N162 PolarHBondContact O-N 3.28Å; M160-N162 VanDerWaalsContact C-N 3.31Å; M160-N162 PolarHBondContact O-N 3Å; N162-N165 PolarHBondContact O-N 3.25Å; N162-V166 WeakPolarHBondContact O-CG2 3.09Å; N162-V166 PolarHBondContact O-N 2.95Å
163Q79Confident69.8Low57 Ų5796.8 Ų96.827%0.26652%0.515SS..Hα-helixtrans-68.2-35.7177.8-70.3-171.118.200112.4A128 A159 M160 V166A128-Q163 PolarHBondContact O-NE2 2.8Å; A159-Q163 WeakPolarHBondContact O-CG 3.25Å; A159-Q163 PolarHBondContact O-N 3.49Å; M160-Q163 PolarHBondContact O-N 3.43Å; Q163-V166 PolarHBondContact O-N 2.84Å
164V62Low67.1Low83 Ų83101.4 Ų101.450%0.50354%0.544SS..Hα-helixtrans-62.2-43.1172.1168.50000111.5M160 V166 N167M160-V164 WeakPolarHBondContact O-CB 3.25Å; M160-V164 VanDerWaalsContact O-CG2 3.3Å; M160-V164 WeakPolarHBondContact O-CG2 3.32Å; M160-V164 PolarHBondContact O-N 3.47Å; V164-V166 PolarHBondContact O-N 3.48Å; V164-N167 PolarHBondContact O-N 3.02Å
165N55.6Low64.5Low111 Ų111102.6 Ų102.659%0.59455%0.552SS**Hα-helixtrans-68.5-19-179.4-73-13.3000114.2Q161 N162Q161-N165 PolarHBondContact NE2-ND2 3.33Å; Q161-N165 PolarHBondContact NE2-OD1 3.15Å; Q161-N165 VanDerWaalsContact NE2-OD1 3.1Å; Q161-N165 WeakPolarHBondContact O-CB 3.29Å; Q161-N165 PolarHBondContact O-N 3.17Å; Q161-N165 VanDerWaalsContact O-N 3.17Å; Q161-N165 PolarHBondContact O-ND2 2.87Å; N162-N165 PolarHBondContact O-N 3.25Å
166V55.4Low61.3Low121 Ų121108 Ų10873%0.73358%0.581SS**Hα-helixtrans-85.5-16.6177.7171.40000112.4N162 Q163 V164 P168N162-V166 WeakPolarHBondContact O-CG2 3.09Å; N162-V166 PolarHBondContact O-N 2.95Å; Q163-V166 PolarHBondContact O-N 2.84Å; V164-V166 PolarHBondContact O-N 3.48Å; V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.46Å
167N41.3Very low58.7Low108 Ų108113.9 Ų113.958%0.57862%0.619SS**  trans-124.473.9-169.9-163.36.4000113.5V164 E169V164-N167 PolarHBondContact O-N 3.02Å; N167-E169 PolarHBondContact O-N 3.3Å
168P46.2Very low55.7Low117 Ų117114.2 Ų114.276%0.7663%0.63SS**  trans-72-11.2-177.830.2-36.4000114.5V166 R170V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.46Å; P168-R170 PolarHBondContact O-N 2.92Å
169E39Very low53Low183 Ų183114.1 Ų114.186%0.85564%0.638SS**THydrogen-bonded Turntrans-101.853-167-157.2175.6-14900113.8N167N167-E169 PolarHBondContact O-N 3.3Å
170R44.4Very low50.1Low237 Ų237122.9 Ų122.989%0.89468%0.68SS**THydrogen-bonded Turntrans-134.312.4163.6-146.2175.8176.6156.91.7115.6P168 N172P168-R170 PolarHBondContact O-N 2.92Å; R170-N172 PolarHBondContact O-N 2.73Å
171A33.4Very low47.2Very low88 Ų88124.9 Ų124.973%0.72771%0.705SS**  trans-97.675.2172.800000111.4P173A171-P173 VanDerWaalsContact O-CD 3.31Å; A171-P173 WeakPolarHBondContact O-CD 3.29Å
172N33.6Very low44.5Very low159 Ų159123.6 Ų123.685%0.8571%0.713SS**  trans-71.5116.9166.5-91.7-22.7000109.2R170R170-N172 PolarHBondContact O-N 2.73Å
173P45.3Very low42Very low121 Ų121125.5 Ų125.579%0.78673%0.73SS**  trans-93.5107.9-170.834-30.3000111.9A171A171-P173 VanDerWaalsContact O-CD 3.31Å; A171-P173 WeakPolarHBondContact O-CD 3.29Å
174V38.1Very low39.7Very low123 Ų123131.4 Ų131.475%0.74576%0.755SS**  trans-136.9107.5170.1-171.40000109.1
175T41Very low38.1Very low115 Ų115134.8 Ų134.871%0.70677%0.769SS**SBendtrans41.5108159.7600000117
176D30.1Very low36.9Very low141 Ų141138.4 Ų138.475%0.75478%0.779SS**  -171.9156.861.8-87.2-35.1000112.8V178D176-V178 PolarHBondContact O-N 2.97Å
177P39.6Very low35.8Very low124 Ų124139 Ų13981%0.80578%0.784SS**  trans-94.489.8-178.436.2-33000113.5
178V31.9Very low35.3Very low132 Ų132139.9 Ų139.980%0.880%0.798SS**  trans-124.4102165.6-175.30000111.9D176D176-V178 PolarHBondContact O-N 2.97Å
179T37.2Very low34.7Very low123 Ų123137.8 Ų137.876%0.75580%0.798SS**  trans1.4110.3151-49.30000117.8
180M31.3Very low34.3Very low190 Ų190137.9 Ų137.994%0.93680%0.798SS**  trans-135.1119.4137.4-89.1-60.3-173.500109.2
181A32.4Very low33.7Very low97 Ų97133.7 Ų133.780%0.80280%0.799SS**  trans-101.3126.9178.100000110.2
182A31.4Very low33.6Very low80 Ų80135.7 Ų135.766%0.66180%0.802SS**  trans-122.5139.8164.800000108.6F184A182-F184 PolarHBondContact O-N 3.39Å
183P34.5Very low33.3Very low125 Ų125134.3 Ų134.381%0.81279%0.794SS**  trans-85.1110.9-16431.6-34.7000113.2I185P183-I185 PolarHBondContact O-N 3.19Å
184F30Very low32.6Very low182 Ų182136.7 Ų136.780%0.79880%0.799SS**  trans-83.6108.5162.6-72.7-78.7000110.2A182 F186A182-F184 PolarHBondContact O-N 3.39Å; F184-F186 HydrophobicContact CB-CD2 4.4Å; F184-F186 HydrophobicContact CB-CE2 4.22Å; F184-F186 PolarHBondContact O-N 3.2Å
185I28.2Very low32.4Very low154 Ų154136.1 Ų136.179%0.7980%0.796SS**  trans-78.196.5170.4-58.4176.8000108P183 T187P183-I185 PolarHBondContact O-N 3.19Å; I185-T187 PolarHBondContact O-N 2.8Å
186F31.7Very low32Very low187 Ų187135.9 Ų135.982%0.8280%0.799SS**PPolyproline II helixtrans-73117.4162.5-81.9-86.9000109.1F184F184-F186 HydrophobicContact CB-CD2 4.4Å; F184-F186 HydrophobicContact CB-CE2 4.22Å; F184-F186 PolarHBondContact O-N 3.2Å
187T31.1Very low32.2Very low134 Ų134137.5 Ų137.582%0.82281%0.807SS**PPolyproline II helixtrans-65.6141.8165.843.70000109.4I185I185-T187 PolarHBondContact O-N 2.8Å
188S30.1Very low31.9Very low125 Ų125137.7 Ų137.787%0.87481%0.805SS**SBendtrans-78136-167.655.80000113.1
189G35.5Very low31.7Very low74 Ų74136.6 Ų136.676%0.76380%0.804SS**  trans140.544.1143.900000120.1
190E29.1Very low31.4Very low185 Ų185136.5 Ų136.586%0.86481%0.808SS**  trans-143.7142.8156.9-128.3167.6-147.700112.2
191V32.5Very low31.2Very low149 Ų149132 Ų13290%0.90380%0.801SS**  trans-119.8113.4-174.6-85.40000110.3
192V31.7Very low31.2Very low130 Ų130135 Ų13579%0.78880%0.804SS**  trans-113.2130178.3-167.60000109.4
193N27.3Very low31.1Very low130 Ų130137.9 Ų137.970%0.69581%0.813SS**  trans-90127.5-166.9-1717.4000112.5T195N193-T195 VanDerWaalsContact C-N 3.32Å; N193-T195 PolarHBondContact O-N 2.9Å; N193-T195 VanDerWaalsContact O-N 3.09Å
194L29.3Very low30.8Very low170 Ų170140 Ų14089%0.8981%0.81SS**  trans-86.745.7-169.7-64.1175.9000114.2
195T34.3Very low30.5Very low112 Ų112136.5 Ų136.569%0.68780%0.803SS**  trans-129.848.2-171.961.40000115.2N193N193-T195 VanDerWaalsContact C-N 3.32Å; N193-T195 PolarHBondContact O-N 2.9Å; N193-T195 VanDerWaalsContact O-N 3.09Å
196S32Very low30.4Very low110 Ų110135 Ų13577%0.76980%0.802SS**  trans-142.40.9167.860.40000116.1V198S196-V198 PolarHBondContact O-N 3.07Å
197L34.6Very low30Very low175 Ų175131.6 Ų131.692%0.91680%0.801SS**  trans-89.368.9173.3-82.3171.3000112.3
198V33.9Very low29.8Very low127 Ų127128.8 Ų128.877%0.7779%0.792SS**  trans-166.5147.6155.21280000108.9S196S196-V198 PolarHBondContact O-N 3.07Å
199S27.6Very low29.6Very low109 Ų109130.2 Ų130.276%0.76279%0.789SS**  trans86.9118.7-164-42.40000112
200S30.5Very low29.4Very low122 Ų122131.3 Ų131.385%0.85379%0.785SS**  cis-148.21472.2-68.60000111.9
201A28.5Very low29.3Very low95 Ų95131 Ų13179%0.78578%0.784SS**  trans-112.5142.6166.500000110.6
202N31.5Very low29.1Very low160 Ų160132.5 Ų132.586%0.85678%0.781SS**  trans57.9112.9172.7-78.6-15.4000119.5
203T28.5Very low28.8Very low140 Ų140132.9 Ų132.986%0.85978%0.777SS**  -174.8159.1115.525.90000108.7
204K28Very low28.8Very low169 Ų169134.1 Ų134.174%0.73578%0.782SS**  cis-178.8126.7-34.5171-171.2167.8-175.30106.7
205T24.7Very low28.7Very low109 Ų109134.8 Ų134.867%0.66978%0.781SS**  trans61.7157.3164.156.30000117.8
206T25.3Very low28.3Very low124 Ų124132.8 Ų132.876%0.76178%0.782SS**  cis-165.5141.4-9.419.10000111.2
207S25Very low27.9Very low115 Ų115135.4 Ų135.480%0.80479%0.788SS**  trans-163.5115.3135.6-160.10000106.5
208A26.3Very low28Very low75 Ų75132.6 Ų132.662%0.6278%0.783SS**  cis77.595.746.700000112.9
209N26.5Very low27.9Very low154 Ų154133.5 Ų133.582%0.82479%0.788SS**  trans170.189.3149.5-84.6-8.3000105
210S29.4Very low28Very low98 Ų98135.6 Ų135.669%0.68579%0.791SS**  55.9130.269.781.70000113.1
211E28.6Very low28.2Very low179 Ų179133.4 Ų133.484%0.83678%0.775SS**  cis-171148.5-6.3-129.9168-159.700107.8
212E26.8Very low28.6Very low180 Ų180134 Ų13484%0.84177%0.774SS**  trans-169.2144.5130.6-167.7153.8-142.300109.3
213I25.2Very low28.9Very low138 Ų138133 Ų13371%0.70877%0.767SS**  trans-132.5130.4-178.1-62.8169.6000108.4E215I213-E215 HydrophobicContact CG2-CG 4.25Å
214I29.1Very low29.3Very low155 Ų155134.9 Ų134.980%0.79577%0.766SS**  trans-134.2109.5160.9-56.9-178.6000108.1
215E27.1Very low29.7Very low184 Ų184134.8 Ų134.886%0.8677%0.768SS**  trans-78143.5168.6-60.7-177.8129.600109.9I213I213-E215 HydrophobicContact CG2-CG 4.25Å
216G24.9Very low30.2Very low70 Ų70135.8 Ų135.872%0.72277%0.774SS**  trans-173.549.4-170.300000118.8
217N24.5Very low30.6Very low166 Ų166138.1 Ų138.189%0.88878%0.779SS**  trans67136.7164-62.8-32.5000119.9
218S35.2Very low31Very low115 Ų115135.7 Ų135.780%0.80477%0.772SS**  trans-63133.5167.1174.30000113.1
219V32.1Very low31.7Very low147 Ų147138.8 Ų138.889%0.89179%0.789SS**  trans-152.5156.3137.9-102.90000109.3
220D30.8Very low32.2Very low152 Ų152134.5 Ų134.581%0.81378%0.781SS**  trans-106.4-175.5-164.5-164.16000113
221S35.1Very low32.7Very low76 Ų76133.4 Ų133.453%0.53179%0.785SS.*  trans100.5111170.8-157.60000116.4I223S221-I223 PolarHBondContact O-N 3.45Å
222S35.1Very low33.2Very low107 Ų107131.7 Ų131.775%0.74878%0.777SS**  trans-82.7102.6-179.7-67.70000112.8
223I38.5Very low33.8Very low141 Ų141134.3 Ų134.372%0.72378%0.779SS**  trans-96.686.5166.8-56-179.5000109.3S221 Q225S221-I223 PolarHBondContact O-N 3.45Å; I223-Q225 PolarHBondContact O-N 2.78Å
224Q36.5Very low34.4Very low179 Ų179133.6 Ų133.684%0.83678%0.781SS**  trans-88.891.2-179.7-162.2149.244.700111.8V226Q224-V226 PolarHBondContact O-N 2.74Å
225Q36.8Very low34.8Very low166 Ų166132.6 Ų132.678%0.77678%0.776SS**  trans-74.7105.7-176.9-177-179.3-5.300112.3I223I223-Q225 PolarHBondContact O-N 2.78Å
226V35.7Very low35.3Very low131 Ų131129.1 Ų129.179%0.79477%0.768SS**  trans-100.1117.9176.7-174.90000110.7Q224 G228Q224-V226 PolarHBondContact O-N 2.74Å; V226-G228 PolarHBondContact O-N 2.71Å
227M33.2Very low35.9Very low173 Ų173130.7 Ų130.785%0.85276%0.759SS**  trans-87.9103.2174.7-74.1-166.3-69.900111.7
228G34.4Very low36.4Very low64 Ų64126.9 Ų126.966%0.6674%0.741SS**  trans-87132.3162.900000111.3V226 G230V226-G228 PolarHBondContact O-N 2.71Å; G228-G230 VanDerWaalsContact C-N 3.32Å; G228-G230 PolarHBondContact O-N 2.69Å
229S40.9Very low36.6Very low139 Ų139125.5 Ų125.597%0.97273%0.728SS**SBendtrans-75.776.9-179.756.80000111.9
230G35.9Very low36.7Very low65 Ų65125.1 Ų125.167%0.6772%0.721SS**SBendtrans-167.628.5-172.400000117.1G228 Q232G228-G230 VanDerWaalsContact C-N 3.32Å; G228-G230 PolarHBondContact O-N 2.69Å; G230-Q232 PolarHBondContact O-N 3.08Å
231G41.3Very low37.5Very low75 Ų75121.7 Ų121.777%0.77372%0.721SS**SBendtrans73.3-35.5170.900000117
232Q38.5Very low37.6Very low143 Ų143123.9 Ų123.967%0.66873%0.731SS**  trans-73.9131179.3-152.387.935.900110.9G230G230-Q232 PolarHBondContact O-N 3.08Å
233R38.9Very low37.7Very low234 Ų234124.5 Ų124.588%0.88373%0.733SS**  trans-103.2130.1165.2-54.2-170.6-154.1-158.27.9109.1
234V37.4Very low38.1Very low123 Ų123125.6 Ų125.675%0.74574%0.739SS**  trans-115.3134.1171.2-178.90000107.4
235I37.8Very low37.9Very low135 Ų135120 Ų12069%0.69273%0.729SS**  trans-124.7108.9175.7-56.2177000107I237I235-I237 HydrophobicContact CG2-CG1 4.03Å
236T36.8Very low37.9Very low111 Ų111120.1 Ų120.168%0.68174%0.735SS**  trans-86.2124.4169.8-48.60000108
237I37.6Very low37.8Very low103 Ų103120.4 Ų120.453%0.52873%0.731SS.*  trans-111121.9172.2-51.6179.9000106.9I235 T239 M264I235-I237 HydrophobicContact CG2-CG1 4.03Å; I237-T239 HydrophobicContact CG2-CG2 3.71Å; I237-M264 VanDerWaalsContact O-SD 3.38Å
238V36.3Very low37.8Very low86 Ų86121.3 Ų121.352%0.52173%0.733SS.*  trans-99.1119.6171-177.70000107.3
239T39.5Very low37.7Very low85 Ų85123.7 Ų123.752%0.52174%0.735SS.*  trans-115.583.7-177.360.80000111.1I237 G241 M264I237-T239 HydrophobicContact CG2-CG2 3.71Å; T239-G241 VanDerWaalsContact C-N 3.34Å; T239-G241 PolarHBondContact O-N 3.42Å; T239-M264 HydrophobicContact CG2-CE 4.01Å; T239-M264 WeakPolarHBondContact OG1-CE 3.5Å
240D34.2Very low37.1Very low140 Ų140122.6 Ų122.675%0.74973%0.727SS**  trans-74.286.3173.8-74.8-20.2000111V242D240-V242 PolarHBondContact O-N 3Å
241G46.3Very low37.1Very low79 Ų79126.1 Ų126.181%0.81473%0.729SS**SBendtrans76.118.714800000119.8T239T239-G241 VanDerWaalsContact C-N 3.34Å; T239-G241 PolarHBondContact O-N 3.42Å
242V39.1Very low36.6Very low123 Ų123128.3 Ų128.375%0.74573%0.73SS**  trans-106.3133.7-179.1-175.40000112.8D240D240-V242 PolarHBondContact O-N 3Å
243P36.8Very low36.5Very low120 Ų120128.4 Ų128.478%0.77974%0.74SS**  trans-66.5138.9177.1-20.232.7000113.8G245P243-G245 PolarHBondContact O-N 3.36Å; P243-G245 VanDerWaalsContact O-N 3.17Å
244L46.8Very low36.1Very low164 Ų164120.9 Ų120.986%0.85974%0.736SS**  trans-74.1103.7-175.5-68.1170.4000113I247L244-I247 HydrophobicContact CD2-CD1 4.49Å
245G31.5Very low35.7Very low61 Ų61118.4 Ų118.463%0.62974%0.735SS**  trans-119.8114.1168.100000112P243P243-G245 PolarHBondContact O-N 3.36Å; P243-G245 VanDerWaalsContact O-N 3.17Å
246N36.6Very low35.6Very low168 Ų168120.2 Ų120.290%0.89875%0.745SS**  trans53.988.2170-63.9-9.7000117.5
247I34.6Very low35.6Very low138 Ų138118.6 Ų118.671%0.70875%0.75SS**  trans-111.7105156.9-47.7177000108.2L244 T249L244-I247 HydrophobicContact CD2-CD1 4.49Å; I247-T249 HydrophobicContact CG2-CG2 4.45Å; I247-T249 PolarHBondContact O-N 3.03Å
248Q32.3Very low35.6Very low192 Ų192120.8 Ų120.890%0.89776%0.758SS**  trans-83.3110174.3-84-178.4-21.600110.3S250Q248-S250 PolarHBondContact O-N 3.46Å
249T32.6Very low35.5Very low113 Ų113122.2 Ų122.269%0.69377%0.769SS**  trans-89.3100-179.844.60000111.7I247 I251I247-T249 HydrophobicContact CG2-CG2 4.45Å; I247-T249 PolarHBondContact O-N 3.03Å; T249-I251 PolarHBondContact O-N 3.49Å; T249-I251 VanDerWaalsContact O-N 3.17Å
250S28.4Very low35.4Very low117 Ų117127 Ų12782%0.81878%0.782SS**  trans-74.599.717154.30000110.8Q248 P252Q248-S250 PolarHBondContact O-N 3.46Å; S250-P252 WeakPolarHBondContact O-CD 3.44Å
251I34.8Very low35.5Very low138 Ų138127 Ų12771%0.70878%0.781SS**  trans-81.2121.2179.4-56.9172.7000110.3T249 T253T249-I251 PolarHBondContact O-N 3.49Å; T249-I251 VanDerWaalsContact O-N 3.17Å; I251-T253 PolarHBondContact O-N 3.26Å
252P32Very low35.1Very low121 Ų121129 Ų12979%0.78678%0.778SS**  trans-79.4114.3165.431.4-30.9000110.1S250 G254S250-P252 WeakPolarHBondContact O-CD 3.44Å; P252-G254 PolarHBondContact O-N 3.15Å
253T37.2Very low35.1Very low145 Ų145128.7 Ų128.789%0.8978%0.776SS**  trans-74.4105.9177.128.30000111.4I251I251-T253 PolarHBondContact O-N 3.26Å
254G29.8Very low34.9Very low77 Ų77127.4 Ų127.479%0.79476%0.761SS**  trans-167.167.9-174.800000117.5P252P252-G254 PolarHBondContact O-N 3.15Å
255G29.8Very low34.5Very low71 Ų71127.2 Ų127.273%0.73276%0.755SS**  trans83.6122.9148.200000120.1
256I34.1Very low35Very low173 Ų173131.7 Ų131.789%0.88777%0.765SS**  trans66.791.2145.3-43.9172.9000117.8
257G37.9Very low35.5Very low76 Ų76128 Ų12878%0.78477%0.767SS**  91.623.3104.200000120.7
258Q36.1Very low35.6Very low150 Ų150130.1 Ų130.170%0.70177%0.774SS**  trans-132139.7165.8-70.3-170.5-14.100112.4
259P34.8Very low36.1Very low115 Ų115130.2 Ų130.275%0.74777%0.774SS**  trans-77.9142.1175.332.4-34000111.4
260F37.1Very low36.3Very low185 Ų185131 Ų13181%0.81178%0.778SS**  trans-102.9145.7169.544.6-93.5000109.8
261I36.8Very low36.7Very low141 Ų141132.3 Ų132.372%0.72378%0.775SS**  trans-116.3133.6175.5-60.5177.4000107.9T263I261-T263 HydrophobicContact CG2-CG2 4.15Å
262V38.4Very low36.9Very low122 Ų122131.8 Ų131.874%0.73978%0.779SS**  trans-114.2132.6172.3179.10000107.5
263T38.3Very low37Very low115 Ų115131.3 Ų131.371%0.70677%0.774SS**  trans-126128.817852.90000109.6I261I261-T263 HydrophobicContact CG2-CG2 4.15Å
264M34Very low36.8Very low94 Ų94130.1 Ų130.146%0.46377%0.768SS.*  trans-128.9166.1165.1-68.1-58.1-67.700109.4I237 T239 D266I237-M264 VanDerWaalsContact O-SD 3.38Å; T239-M264 HydrophobicContact CG2-CE 4.01Å; T239-M264 WeakPolarHBondContact OG1-CE 3.5Å; M264-D266 PolarHBondContact O-N 3.08Å
265Q38.3Very low37Very low160 Ų160131.7 Ų131.775%0.74877%0.774SS**SBendtrans-68.8116.1-167.5-67145.9-62.700112.9
266D40.3Very low37.3Very low154 Ų154131.3 Ų131.382%0.82477%0.77SS**SBend177.759.2127.7-90.4-10.4000112M264 Q268M264-D266 PolarHBondContact O-N 3.08Å; D266-Q268 VanDerWaalsContact C-N 3.26Å; D266-Q268 PolarHBondContact O-N 2.95Å
267G47.4Very low37.2Very low92 Ų92132.5 Ų132.595%0.94877%0.772SS**SBendtrans71.5-14.5158.400000119.3
268Q36.6Very low37Very low182 Ų182135.5 Ų135.585%0.8577%0.774SS**  trans-105.7119.8-176.5-128.9174.324.700113.1D266D266-Q268 VanDerWaalsContact C-N 3.26Å; D266-Q268 PolarHBondContact O-N 2.95Å
269Q42.5Very low36.7Very low193 Ų193133.2 Ų133.290%0.90278%0.781SS**  trans-89.7133.8177.4-60.1178.523.200110.6
270V37.4Very low36.5Very low130 Ų130136.4 Ų136.479%0.78879%0.786SS**  trans-123.9114.4171.4-178.30000109.2
271L36.9Very low36.3Very low144 Ų144136.5 Ų136.575%0.75479%0.789SS**  trans-97.1109.4178.8-176.475.1000110.1V273L271-V273 HydrophobicContact CD2-CG2 3.98Å; L271-V273 HydrophobicContact CG-CG2 4.07Å
272T38.7Very low35.8Very low128 Ų128135 Ų13579%0.78579%0.787SS**  trans-93106.5172.550.60000111.1
273V34.4Very low35.6Very low111 Ų111135.9 Ų135.967%0.67379%0.792SS**PPolyproline II helixtrans-95.3131.9171-173.40000108.7L271 A275L271-V273 HydrophobicContact CD2-CG2 3.98Å; L271-V273 HydrophobicContact CG-CG2 4.07Å; V273-A275 PolarHBondContact O-N 3.42Å
274P34.1Very low35.2Very low120 Ų120136.6 Ų136.678%0.77979%0.79SS**PPolyproline II helixtrans-67.3130.2178.127.3-34000111.2
275A32.8Very low35.3Very low110 Ų110141.2 Ų141.291%0.90981%0.808SS**PPolyproline II helixtrans-71.8129.1179.600000111V273V273-A275 PolarHBondContact O-N 3.42Å
276G36.7Very low35Very low62 Ų62142.4 Ų142.464%0.63981%0.813SS**  trans-174.112.3-171.200000120.1
277Q32.3Very low34.9Very low199 Ų199144.2 Ų144.293%0.9382%0.817SS**  trans-165.8138.3160.1-111.7140.288.900110.9
278V32.6Very low34.1Very low138 Ų138149.3 Ų149.384%0.83682%0.816SS**  trans-121.5129-179.6-177.80000108.3
279A29.4Very low34.1Very low102 Ų102148 Ų14884%0.84381%0.809SS**  trans-144.4100.9164.300000107.6
280E32.3Very low33.6Very low182 Ų182147.7 Ų147.785%0.8581%0.808SS**  trans-72.5143.5157-54.3174.113300107.4
281E32Very low33.5Very low187 Ų187149.4 Ų149.487%0.87481%0.805SS**  trans-156.6165.2130.4-160137.9-150.500110.4
282T26.4Very low33.2Very low111 Ų111150.1 Ų150.168%0.68181%0.809SS**  trans-92.8166.9-154.248.40000115.2I284T282-I284 PolarHBondContact O-N 2.98Å
283V34.5Very low32.9Very low139 Ų139149.9 Ų149.984%0.84281%0.809SS**  trans-57.3123.4161.2174.60000110.5
284I29.4Very low33Very low130 Ų130152.9 Ų152.967%0.66782%0.821SS**  trans-127.4139.1157.1-62.9-177.9000108.1T282T282-I284 PolarHBondContact O-N 2.98Å
285K35.4Very low32.9Very low192 Ų192154.1 Ų154.184%0.83583%0.826SS**  trans-94.2138163.5-67.8176.2175.3-178.20107.5
286E32Very low32.9Very low185 Ų185158.7 Ų158.786%0.86483%0.825SS**  trans-148.6149.8155.7-119.7136.8-135.400110.9
287E38.4Very low32.9Very low192 Ų192164.8 Ų164.890%0.89783%0.834SS**  trans-105.6135.8177.1-57.2171.5142.200107
288E31.2Very low33.1Very low199 Ų199161.5 Ų161.593%0.9383%0.83SS**  trans-148.1142.4168.1-131.8173.4-159.800113.8
289E37.2Very low33.2Very low153 Ų153166.1 Ų166.172%0.71583%0.833SS**  trans-94.199.8-177.5-65.6-170.4146.200112K291E289-K291 PolarHBondContact O-N 3.42Å; E289-K291 VanDerWaalsContact O-N 3.09Å; E289-K291 IonicContact OE2-NZ 2.75Å; E289-K291 PolarHBondContact OE2-NZ 3.42Å
290E32.3Very low33.1Very low188 Ų188169.8 Ų169.888%0.87984%0.836SS**  trans-77.997.6168.9-78.1-149.8121.500112.5
291K35Very low32.9Very low166 Ų166164.3 Ų164.372%0.72283%0.828SS**  trans-75.6130.7164.8-74.4174.7176.489.60110.6E289E289-K291 PolarHBondContact O-N 3.42Å; E289-K291 VanDerWaalsContact O-N 3.09Å; E289-K291 IonicContact OE2-NZ 2.75Å; E289-K291 PolarHBondContact OE2-NZ 3.42Å
292L30.3Very low32.9Very low159 Ų159164.5 Ų164.583%0.83283%0.829SS**  trans-115145.6168.2-74.6173.7000112.2
293P33.1Very low33.7Very low122 Ų122168.1 Ų168.179%0.79284%0.841SS**  trans-94159.6-160.936.2-37.8000116.2
294L35.5Very low34.1Very low175 Ų175167.5 Ų167.592%0.91684%0.837SS**  trans-77.5128.8174.5-72.3157.3000113.1
295T31.2Very low34.9Very low145 Ų145166 Ų16689%0.8983%0.831SS**  trans-139.5156.6152.742.10000113.1
296K33.7Very low35.3Very low206 Ų206162.2 Ų162.290%0.89683%0.828SS**  trans-85.3149.9-156.1-62.2160.3-179.8171.20114.4
297K36.8Very low36.2Very low191 Ų191158.1 Ų158.183%0.8382%0.816SS**  trans-68.9162.5160.2-69.5-172.6176.5-175.20111.9
298P35.6Very low36.8Very low130 Ų130154 Ų15484%0.84480%0.797SS**  -114.2171.5124.934.2-32.6000112.8
299R34.5Very low37.7Very low234 Ų234151.1 Ų151.188%0.88378%0.783SS**  trans-122135.8-173.9-74.4173.9165.5159.4-8112.5
300I28.6Very low38.5Very low180 Ų180147.2 Ų147.292%0.92377%0.773SS**  trans-151.5135.8145.8-49.2179.9000105
301G28.9Very low39.6Very low66 Ų66144 Ų14468%0.6876%0.755SS**  cis-167.9-174.4-3.900000111.7
302E31.9Very low40.7Very low191 Ų191142.8 Ų142.889%0.89375%0.753SS**  trans5484.5158.5-62.9-177.7134.800121.4T304E302-T304 PolarHBondContact O-N 3.42Å
303M43.3Very low42.5Very low187 Ų187136.6 Ų136.692%0.92173%0.727SS**  34.567.5117.2-59.4175.371.100121.2
304T42.5Very low44.5Very low126 Ų126136 Ų13677%0.77372%0.718SS**  trans-165.3111.4130.642.90000109.8E302E302-T304 PolarHBondContact O-N 3.42Å
305N44.8Very low46.6Very low100 Ų100133.7 Ų133.754%0.53570%0.702SS.*  trans-179.88.2156.4-1032.8000117.1V307 E308N305-V307 PolarHBondContact O-N 3Å; N305-E308 PolarHBondContact O-N 3.48Å; N305-E308 VanDerWaalsContact O-N 3.09Å
306S45.5Very low49.1Very low111 Ų111135.9 Ų135.978%0.77669%0.694SS**THydrogen-bonded Turntrans-62.410.5-170.4-36.60000118.1
307V51.1Low51.7Low99 Ų99132.3 Ų132.360%0.668%0.681SS**THydrogen-bonded Turntrans-123.5-23.3179.2-1800000111.8N305N305-V307 PolarHBondContact O-N 3Å
308E50.1Low54.2Low107 Ų107128.4 Ų128.450%0.567%0.668SS.*THydrogen-bonded Turntrans-88.9-45.3-177.3-59.4-101.4105.900110.4N305 S310 K311 E312N305-E308 PolarHBondContact O-N 3.48Å; N305-E308 VanDerWaalsContact O-N 3.09Å; E308-S310 PolarHBondContact O-N 2.6Å; E308-S310 VanDerWaalsContact O-N 3.12Å; E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 PolarHBondContact O-N 2.89Å; E308-K311 IonicContact OE1-NZ 2.78Å; E308-E312 PolarHBondContact O-N 3.3Å
309E50.7Low56.8Low138 Ų138126.6 Ų126.665%0.64565%0.651SS**Hα-helixtrans-55.2-33.1174.5-66.8-172.9145.100112.2G313E309-G313 PolarHBondContact O-N 3.44Å
310S53.3Low59.5Low71 Ų71121.8 Ų121.850%0.49764%0.638SS.*Hα-helixtrans-75.3-23.8176.2-55.10000113.9E308 N314E308-S310 PolarHBondContact O-N 2.6Å; E308-S310 VanDerWaalsContact O-N 3.12Å; S310-N314 PolarHBondContact O-N 2.72Å; S310-N314 PolarHBondContact O-ND2 3.1Å; S310-N314 PolarHBondContact O-OD1 2.97Å
311K56.4Low62.5Low119 Ų119119.5 Ų119.552%0.51762%0.624SS.*Hα-helixtrans-79-48.7172.1-70.4174.4-175.1169.40110.7E308 G313 N314 E315E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 PolarHBondContact O-N 2.89Å; E308-K311 IonicContact OE1-NZ 2.78Å; K311-G313 VanDerWaalsContact C-N 3.27Å; K311-G313 PolarHBondContact O-N 3.31Å; K311-N314 PolarHBondContact O-N 3.37Å; K311-E315 WeakPolarHBondContact O-CB 3.03Å; K311-E315 PolarHBondContact O-N 3.02Å
312E57.3Low65.7Low141 Ų141122.3 Ų122.366%0.65962%0.619SS**Hα-helixtrans-60.5-37.4177.8-65.9-171.3146.700111.8E308 R316E308-E312 PolarHBondContact O-N 3.3Å; E312-R316 WeakPolarHBondContact O-CB 3.25Å; E312-R316 PolarHBondContact O-N 3.35Å
313G68Low68.5Low29 Ų29118.5 Ų118.530%0.29960%0.604SS.*Hα-helixtrans-59-53.5171.900000112.5E309 K311 E315 R316 E317E309-G313 PolarHBondContact O-N 3.44Å; K311-G313 VanDerWaalsContact C-N 3.27Å; K311-G313 PolarHBondContact O-N 3.31Å; G313-E315 PolarHBondContact O-N 2.7Å; G313-R316 PolarHBondContact O-N 2.89Å; G313-E317 WeakPolarHBondContact O-CG 3.44Å; G313-E317 PolarHBondContact O-N 2.86Å
314N75.2Confident71Confident111 Ų111115.8 Ų115.859%0.59459%0.593SS**Hα-helixtrans-62.6-40.2-179.9-66.5-7.6000112.5S310 K311 E317 L318S310-N314 PolarHBondContact O-N 2.72Å; S310-N314 PolarHBondContact O-ND2 3.1Å; S310-N314 PolarHBondContact O-OD1 2.97Å; K311-N314 PolarHBondContact O-N 3.37Å; N314-E317 PolarHBondContact O-N 2.67Å; N314-L318 WeakPolarHBondContact O-CB 3.38Å; N314-L318 PolarHBondContact O-N 2.96Å
315E79Confident73.5Confident126 Ų126112.9 Ų112.959%0.58957%0.57SS**Hα-helixtrans-66.9-40.4177.1-173.8172.2173.700111.5K311 G313 L318 L319K311-E315 WeakPolarHBondContact O-CB 3.03Å; K311-E315 PolarHBondContact O-N 3.02Å; G313-E315 PolarHBondContact O-N 2.7Å; E315-L318 PolarHBondContact O-N 3.36Å; E315-L319 HydrophobicContact CG-CD1 4.22Å; E315-L319 WeakPolarHBondContact O-CB 3.28Å; E315-L319 VanDerWaalsContact O-CG 3.31Å; E315-L319 WeakPolarHBondContact O-CG 3.28Å; E315-L319 PolarHBondContact O-N 3.47Å
316R84.4Confident75.8Confident191 Ų191110.8 Ų110.872%0.72157%0.567SS**Hα-helixtrans-64.7-39.7174.9-176.6177.41791760.4112.6E312 G313 Q320E312-R316 WeakPolarHBondContact O-CB 3.25Å; E312-R316 PolarHBondContact O-N 3.35Å; G313-R316 PolarHBondContact O-N 2.89Å; R316-Q320 WeakPolarHBondContact O-CB 3.34Å; R316-Q320 PolarHBondContact O-N 2.87Å
317E87.6Confident78.2Confident131 Ų131109.8 Ų109.861%0.61255%0.553SS**Hα-helixtrans-64.9-42.8173.9-74.5-177.5-172.700111.5G313 N314 Q320 Q321G313-E317 WeakPolarHBondContact O-CG 3.44Å; G313-E317 PolarHBondContact O-N 2.86Å; N314-E317 PolarHBondContact O-N 2.67Å; E317-Q320 PolarHBondContact O-N 3.25Å; E317-Q321 WeakPolarHBondContact O-CB 3.39Å; E317-Q321 PolarHBondContact O-N 2.96Å
318L90.6Very high80.3Confident108 Ų108111.2 Ų111.257%0.56555%0.548SS*.Hα-helixtrans-61.3-45.5175.3-177.964.6000112N314 E315 Q320 Q321 Q322N314-L318 WeakPolarHBondContact O-CB 3.38Å; N314-L318 PolarHBondContact O-N 2.96Å; E315-L318 PolarHBondContact O-N 3.36Å; L318-Q320 VanDerWaalsContact C-N 3.33Å; L318-Q320 PolarHBondContact O-N 3.33Å; L318-Q321 PolarHBondContact O-N 3.48Å; L318-Q322 WeakPolarHBondContact O-CB 3.46Å; L318-Q322 PolarHBondContact O-N 2.91Å
319L89.1Confident82.6Confident92 Ų92112.1 Ų112.148%0.48255%0.547SS..Hα-helixtrans-63.7-37.2175.7-72.1169.1000112E315 Q322 L323E315-L319 HydrophobicContact CG-CD1 4.22Å; E315-L319 WeakPolarHBondContact O-CB 3.28Å; E315-L319 VanDerWaalsContact O-CG 3.31Å; E315-L319 WeakPolarHBondContact O-CG 3.28Å; E315-L319 PolarHBondContact O-N 3.47Å; L319-Q322 PolarHBondContact O-N 2.92Å; L319-L323 WeakPolarHBondContact O-CB 3.34Å; L319-L323 PolarHBondContact O-N 3.27Å
320Q90.5Very high84.5Confident133 Ų133108.3 Ų108.362%0.62154%0.538SS*.Hα-helixtrans-69.2-37.2175.7-170.616624.900112.1R316 E317 L318 L323 L324R316-Q320 WeakPolarHBondContact O-CB 3.34Å; R316-Q320 PolarHBondContact O-N 2.87Å; E317-Q320 PolarHBondContact O-N 3.25Å; L318-Q320 VanDerWaalsContact C-N 3.33Å; L318-Q320 PolarHBondContact O-N 3.33Å; Q320-L323 PolarHBondContact O-N 3.44Å; Q320-L324 PolarHBondContact O-N 3.31Å
321Q93.6Very high86.5Confident133 Ų133110.9 Ų110.962%0.62154%0.543SS*.Hα-helixtrans-66.2-41.4172.6-170.5176.439.300111.6E317 L318 L324 E325E317-Q321 WeakPolarHBondContact O-CB 3.39Å; E317-Q321 PolarHBondContact O-N 2.96Å; L318-Q321 PolarHBondContact O-N 3.48Å; Q321-L324 WeakPolarHBondContact O-CB 3.45Å; Q321-L324 PolarHBondContact O-N 3.03Å; Q321-E325 PolarHBondContact O-N 2.97Å
322Q94.2Very high88.4Confident124 Ų124109.7 Ų109.758%0.57954%0.539SS*.Hα-helixtrans-64.5-39.4175.7-167.4179.926.600111.9L318 L319 E325 A326L318-Q322 WeakPolarHBondContact O-CB 3.46Å; L318-Q322 PolarHBondContact O-N 2.91Å; L319-Q322 PolarHBondContact O-N 2.92Å; Q322-E325 PolarHBondContact O-N 3.44Å; Q322-A326 WeakPolarHBondContact O-CB 3.49Å; Q322-A326 PolarHBondContact O-N 3.48Å
323L92.4Very high90.1Very high112 Ų112110.2 Ų110.259%0.58654%0.536SS*.Hα-helixtrans-62.2-44.7173.2-171.989.2000111.6L319 Q320 A326 N327L319-L323 WeakPolarHBondContact O-CB 3.34Å; L319-L323 PolarHBondContact O-N 3.27Å; Q320-L323 PolarHBondContact O-N 3.44Å; L323-A326 PolarHBondContact O-N 3.35Å; L323-N327 WeakPolarHBondContact O-CB 3.28Å; L323-N327 PolarHBondContact O-N 2.84Å; L323-N327 PolarHBondContact O-ND2 3.44Å
324L95.5Very high91.4Very high129 Ų129118.3 Ų118.368%0.67556%0.557SS**Hα-helixtrans-60-46.3176.6-17088.7000111.1Q320 Q321 N327 R328Q320-L324 PolarHBondContact O-N 3.31Å; Q321-L324 WeakPolarHBondContact O-CB 3.45Å; Q321-L324 PolarHBondContact O-N 3.03Å; L324-N327 PolarHBondContact O-N 3.22Å; L324-R328 PolarHBondContact O-N 2.83Å
325E95.3Very high92.4Very high65 Ų65119.4 Ų119.430%0.30456%0.559SS.*Hα-helixtrans-64.9-43.2176.9170.8154.1-13200112.5Q321 Q322 N327 R328 R329Q321-E325 PolarHBondContact O-N 2.97Å; Q322-E325 PolarHBondContact O-N 3.44Å; E325-N327 VanDerWaalsContact C-N 3.3Å; E325-N327 PolarHBondContact O-N 2.98Å; E325-R328 WeakPolarHBondContact O-CB 3.4Å; E325-R328 PolarHBondContact O-N 3.44Å; E325-R328 IonicContact OE1-CZ 2.76Å; E325-R328 IonicContact OE1-NH2 2.96Å; E325-R328 PolarHBondContact OE1-NH2 2.93Å; E325-R329 HydrophobicContact CG-CG 4.26Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 3.45Å; E325-R329 IonicContact OE1-CZ 3.71Å; E325-R329 VanDerWaalsContact OE1-CZ 3.27Å; E325-R329 IonicContact OE1-NE 3.05Å; E325-R329 PolarHBondContact OE1-NE 3.32Å; E325-R329 IonicContact OE1-NH2 2.72Å; E325-R329 PolarHBondContact OE1-NH2 3.09Å; E325-R329 IonicContact OE2-CZ 3.08Å; E325-R329 IonicContact OE2-NH2 2.7Å; E325-R329 PolarHBondContact OE2-NH2 2.87Å
326A92.4Very high93.2Very high56 Ų56119 Ų11946%0.46356%0.556SS.*Hα-helixtrans-59.8-41.8177.300000111.6Q322 L323 R329 A330Q322-A326 WeakPolarHBondContact O-CB 3.49Å; Q322-A326 PolarHBondContact O-N 3.48Å; L323-A326 PolarHBondContact O-N 3.35Å; A326-R329 PolarHBondContact O-N 2.84Å; A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.48Å
327N95.1Very high93.7Very high90 Ų90115.6 Ų115.648%0.48155%0.552SS.*Hα-helixtrans-63.5-42.7174.7-77.5-44.9000112.5L323 L324 E325 A330 Q331L323-N327 WeakPolarHBondContact O-CB 3.28Å; L323-N327 PolarHBondContact O-N 2.84Å; L323-N327 PolarHBondContact O-ND2 3.44Å; L324-N327 PolarHBondContact O-N 3.22Å; E325-N327 VanDerWaalsContact C-N 3.3Å; E325-N327 PolarHBondContact O-N 2.98Å; N327-A330 PolarHBondContact O-N 3.44Å; N327-Q331 WeakPolarHBondContact O-CG 3.33Å; N327-Q331 PolarHBondContact O-N 3.26Å
328R96.8Very high94.1Very high129 Ų129113.2 Ų113.249%0.48754%0.543SS..Hα-helixtrans-58.1-52.7173.4171.1-179.465.91790.8111.4L324 E325 A330 Q331 E332L324-R328 PolarHBondContact O-N 2.83Å; E325-R328 WeakPolarHBondContact O-CB 3.4Å; E325-R328 PolarHBondContact O-N 3.44Å; E325-R328 IonicContact OE1-CZ 2.76Å; E325-R328 IonicContact OE1-NH2 2.96Å; E325-R328 PolarHBondContact OE1-NH2 2.93Å; R328-A330 VanDerWaalsContact C-N 3.27Å; R328-A330 PolarHBondContact O-N 3.04Å; R328-Q331 WeakPolarHBondContact O-CB 3.46Å; R328-Q331 PolarHBondContact O-N 3.31Å; R328-E332 VanDerWaalsContact CG-OE1 3.29Å; R328-E332 WeakPolarHBondContact CG-OE1 3.09Å; R328-E332 WeakPolarHBondContact O-CG 3.33Å; R328-E332 PolarHBondContact O-N 3.26Å
329R96.7Very high94.4Very high127 Ų127115.2 Ų115.248%0.47955%0.547SS..Hα-helixtrans-61.4-36.2179.2-66.8-179.5-171.3-170.95.9111.6E325 A326 Q331 E332 Y333E325-R329 HydrophobicContact CG-CG 4.26Å; E325-R329 WeakPolarHBondContact O-CG 3.41Å; E325-R329 PolarHBondContact O-N 3.45Å; E325-R329 IonicContact OE1-CZ 3.71Å; E325-R329 VanDerWaalsContact OE1-CZ 3.27Å; E325-R329 IonicContact OE1-NE 3.05Å; E325-R329 PolarHBondContact OE1-NE 3.32Å; E325-R329 IonicContact OE1-NH2 2.72Å; E325-R329 PolarHBondContact OE1-NH2 3.09Å; E325-R329 IonicContact OE2-CZ 3.08Å; E325-R329 IonicContact OE2-NH2 2.7Å; E325-R329 PolarHBondContact OE2-NH2 2.87Å; A326-R329 PolarHBondContact O-N 2.84Å; R329-Q331 PolarHBondContact O-N 2.75Å; R329-E332 WeakPolarHBondContact O-CB 3.43Å; R329-E332 PolarHBondContact O-N 3.44Å; R329-Y333 HydrophobicContact CB-CE2 4.5Å; R329-Y333 WeakPolarHBondContact O-CD2 3.5Å; R329-Y333 PolarHBondContact O-N 2.91Å
330A90.8Very high94.7Very high57 Ų57116.7 Ų116.747%0.47155%0.55SS..Hα-helixtrans-64.6-36.5174.300000113A326 N327 R328 R334A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.48Å; N327-A330 PolarHBondContact O-N 3.44Å; R328-A330 VanDerWaalsContact C-N 3.27Å; R328-A330 PolarHBondContact O-N 3.04Å; A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 2.92Å
331Q95.1Very high94.8Very high126 Ų126115.9 Ų115.959%0.58955%0.546SS*.Hα-helixtrans-66.6-43.2172-69.1171.7-5.800111.4N327 R328 R329 Y333 R334 H335N327-Q331 WeakPolarHBondContact O-CG 3.33Å; N327-Q331 PolarHBondContact O-N 3.26Å; R328-Q331 WeakPolarHBondContact O-CB 3.46Å; R328-Q331 PolarHBondContact O-N 3.31Å; R329-Q331 PolarHBondContact O-N 2.75Å; Q331-Y333 PolarHBondContact O-N 3.33Å; Q331-R334 WeakPolarHBondContact O-CB 3.42Å; Q331-R334 PolarHBondContact O-N 3.46Å; Q331-R334 VanDerWaalsContact O-N 3.13Å; Q331-H335 PolarHBondContact O-CD2 2.73Å; Q331-H335 VanDerWaalsContact O-CD2 3.27Å; Q331-H335 PolarHBondContact O-N 3.19Å
332E96.5Very high95Very high93 Ų93114.9 Ų114.944%0.43554%0.541SS..Hα-helixtrans-58.5-47.9175.9-68.5163.7-171.900111.6R328 R329 R334 H335 Q336R328-E332 VanDerWaalsContact CG-OE1 3.29Å; R328-E332 WeakPolarHBondContact CG-OE1 3.09Å; R328-E332 WeakPolarHBondContact O-CG 3.33Å; R328-E332 PolarHBondContact O-N 3.26Å; R329-E332 WeakPolarHBondContact O-CB 3.43Å; R329-E332 PolarHBondContact O-N 3.44Å; E332-R334 VanDerWaalsContact C-N 3.31Å; E332-R334 PolarHBondContact O-N 3.43Å; E332-H335 PolarHBondContact O-N 2.75Å; E332-Q336 WeakPolarHBondContact O-CG 3.5Å; E332-Q336 PolarHBondContact O-N 3.27Å
333Y93.9Very high95.1Very high152 Ų152112.2 Ų112.260%0.59653%0.529SS*.Hα-helixtrans-61.9-36.7174-73.4-57.1000112.6R329 Q331 H335 Q336 L337R329-Y333 HydrophobicContact CB-CE2 4.5Å; R329-Y333 WeakPolarHBondContact O-CD2 3.5Å; R329-Y333 PolarHBondContact O-N 2.91Å; Q331-Y333 PolarHBondContact O-N 3.33Å; Y333-H335 VanDerWaalsContact C-N 3.34Å; Y333-H335 PolarHBondContact O-N 3Å; Y333-Q336 PolarHBondContact O-N 3.43Å; Y333-L337 WeakPolarHBondContact O-CB 3.18Å; Y333-L337 PolarHBondContact O-N 3.33Å
334R93.9Very high95.1Very high200 Ų200109.7 Ų109.776%0.75552%0.524SS*.Hα-helixtrans-65-37.3176.6-163.6172.7-169.7152.92.7112A330 Q331 E332 L338A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 2.92Å; Q331-R334 WeakPolarHBondContact O-CB 3.42Å; Q331-R334 PolarHBondContact O-N 3.46Å; Q331-R334 VanDerWaalsContact O-N 3.13Å; E332-R334 VanDerWaalsContact C-N 3.31Å; E332-R334 PolarHBondContact O-N 3.43Å; R334-L338 WeakPolarHBondContact O-CB 3.31Å; R334-L338 PolarHBondContact O-N 3.12Å
335H97.6Very high95.1Very high134 Ų134106.6 Ų106.662%0.6251%0.506SS*.Hα-helixtrans-69-38.8172-79.7-71.8000112.8Q331 E332 Y333 L338 K339Q331-H335 PolarHBondContact O-CD2 2.73Å; Q331-H335 VanDerWaalsContact O-CD2 3.27Å; Q331-H335 PolarHBondContact O-N 3.19Å; E332-H335 PolarHBondContact O-N 2.75Å; Y333-H335 VanDerWaalsContact C-N 3.34Å; Y333-H335 PolarHBondContact O-N 3Å; H335-L338 PolarHBondContact O-N 2.9Å; H335-K339 PolarHBondContact O-N 2.95Å
336Q96.2Very high95.1Very high116 Ų116109.1 Ų109.154%0.54252%0.518SS..Hα-helixtrans-63.8-42.7174.6-69175.235.700111.8E332 Y333 K339 K340E332-Q336 WeakPolarHBondContact O-CG 3.5Å; E332-Q336 PolarHBondContact O-N 3.27Å; Y333-Q336 PolarHBondContact O-N 3.43Å; Q336-K339 PolarHBondContact O-N 2.91Å; Q336-K340 PolarHBondContact O-N 3.19Å
337L93.5Very high95.2Very high121 Ų121112.9 Ų112.963%0.63452%0.521SS*.Hα-helixtrans-61.5-48.8176-176.563000111.3Y333 K339 K340 E341Y333-L337 WeakPolarHBondContact O-CB 3.18Å; Y333-L337 PolarHBondContact O-N 3.33Å; L337-K339 VanDerWaalsContact C-N 3.27Å; L337-K339 PolarHBondContact O-N 3.01Å; L337-K340 PolarHBondContact O-N 2.88Å; L337-K340 VanDerWaalsContact O-N 3.09Å; L337-E341 WeakPolarHBondContact O-CB 3.37Å; L337-E341 PolarHBondContact O-N 2.74Å
338L96.6Very high95.1Very high81 Ų81115.1 Ų115.142%0.42452%0.523SS..Hα-helixtrans-58-39.2176.6-168.480.1000112.1R334 H335 E341 Q342R334-L338 WeakPolarHBondContact O-CB 3.31Å; R334-L338 PolarHBondContact O-N 3.12Å; H335-L338 PolarHBondContact O-N 2.9Å; L338-E341 PolarHBondContact O-N 3.09Å; L338-Q342 WeakPolarHBondContact O-CG 3.49Å; L338-Q342 PolarHBondContact O-N 3.17Å
339K96.8Very high94.8Very high149 Ų149116.1 Ų116.165%0.64853%0.527SS*.Hα-helixtrans-65-41.3175.9-173.7178.5178.6-178.10111.8H335 Q336 L337 Q342 E343H335-K339 PolarHBondContact O-N 2.95Å; Q336-K339 PolarHBondContact O-N 2.91Å; L337-K339 VanDerWaalsContact C-N 3.27Å; L337-K339 PolarHBondContact O-N 3.01Å; K339-Q342 PolarHBondContact O-N 2.99Å; K339-E343 WeakPolarHBondContact O-CB 3.33Å; K339-E343 PolarHBondContact O-N 3.48Å
340K95.1Very high94.7Very high123 Ų123115.8 Ų115.854%0.53553%0.529SS..Hα-helixtrans-71.7-32176.8-82.1-72.9171.2-162.80113.1Q336 L337 E343 A344Q336-K340 PolarHBondContact O-N 3.19Å; L337-K340 PolarHBondContact O-N 2.88Å; L337-K340 VanDerWaalsContact O-N 3.09Å; K340-E343 WeakPolarHBondContact CD-OE2 3.49Å; K340-E343 VanDerWaalsContact CE-OE2 3.32Å; K340-E343 WeakPolarHBondContact CE-OE2 3.38Å; K340-E343 IonicContact NZ-OE1 3.87Å; K340-E343 PolarHBondContact NZ-OE1 3.02Å; K340-E343 IonicContact NZ-OE2 2.73Å; K340-E343 PolarHBondContact NZ-OE2 3.5Å; K340-E343 PolarHBondContact O-N 3.36Å; K340-A344 WeakPolarHBondContact O-CB 3.46Å; K340-A344 PolarHBondContact O-N 3.26Å
341E93.3Very high94.5Very high117 Ų117118.8 Ų118.855%0.54754%0.536SS..Hα-helixtrans-63.8-46.7170.7-178173.6-144.500111.3L337 L338 E343 A344 E345L337-E341 WeakPolarHBondContact O-CB 3.37Å; L337-E341 PolarHBondContact O-N 2.74Å; L338-E341 PolarHBondContact O-N 3.09Å; E341-E343 VanDerWaalsContact C-N 3.34Å; E341-E343 PolarHBondContact O-N 2.98Å; E341-A344 PolarHBondContact O-N 3.03Å; E341-E345 WeakPolarHBondContact O-CG 3.45Å; E341-E345 PolarHBondContact O-N 3.05Å
342Q96.4Very high94.1Very high111 Ų111116.1 Ų116.152%0.51952%0.524SS..Hα-helixtrans-62.6-38.1174.3-72.1175.95.700112.9L338 K339 E345 Q346L338-Q342 WeakPolarHBondContact O-CG 3.49Å; L338-Q342 PolarHBondContact O-N 3.17Å; K339-Q342 PolarHBondContact O-N 2.99Å; Q342-E345 PolarHBondContact O-N 3.25Å; Q342-Q346 WeakPolarHBondContact O-CG 3.42Å; Q342-Q346 PolarHBondContact O-N 2.97Å
343E96.6Very high93.6Very high69 Ų69113.8 Ų113.832%0.32252%0.521SS..Hα-helixtrans-62.5-47.4173.7-170.3-177.8141.700110.9K339 K340 E341 E345 Q346 Y347K339-E343 WeakPolarHBondContact O-CB 3.33Å; K339-E343 PolarHBondContact O-N 3.48Å; K340-E343 WeakPolarHBondContact CD-OE2 3.49Å; K340-E343 VanDerWaalsContact CE-OE2 3.32Å; K340-E343 WeakPolarHBondContact CE-OE2 3.38Å; K340-E343 IonicContact NZ-OE1 3.87Å; K340-E343 PolarHBondContact NZ-OE1 3.02Å; K340-E343 IonicContact NZ-OE2 2.73Å; K340-E343 PolarHBondContact NZ-OE2 3.5Å; K340-E343 PolarHBondContact O-N 3.36Å; E341-E343 VanDerWaalsContact C-N 3.34Å; E341-E343 PolarHBondContact O-N 2.98Å; E343-E345 PolarHBondContact O-N 3.48Å; E343-Q346 WeakPolarHBondContact O-CB 3.38Å; E343-Q346 PolarHBondContact O-N 3.35Å; E343-Q346 VanDerWaalsContact O-N 3.17Å; E343-Y347 HydrophobicContact CG-CD2 4.26Å; E343-Y347 HydrophobicContact CG-CE2 4.04Å; E343-Y347 VanDerWaalsContact O-CD2 3.28Å; E343-Y347 WeakPolarHBondContact O-CD2 3.44Å; E343-Y347 PolarHBondContact O-N 3.04Å
344A92.8Very high93.1Very high59 Ų59111.5 Ų111.549%0.48852%0.518SS..Hα-helixtrans-63.1-38.7175.700000112.8K340 E341 Q346 Y347 R348K340-A344 WeakPolarHBondContact O-CB 3.46Å; K340-A344 PolarHBondContact O-N 3.26Å; E341-A344 PolarHBondContact O-N 3.03Å; A344-Q346 VanDerWaalsContact C-N 3.34Å; A344-Q346 PolarHBondContact O-N 3.05Å; A344-Y347 PolarHBondContact O-N 3.13Å; A344-R348 WeakPolarHBondContact O-CB 3.41Å; A344-R348 PolarHBondContact O-N 3.03Å
345E95.5Very high92.3Very high63 Ų63105.3 Ų105.329%0.29451%0.509SS..Hα-helixtrans-59.8-41.4171.4-80.7-117.6132.400112.1E341 Q342 E343 R348 R349E341-E345 WeakPolarHBondContact O-CG 3.45Å; E341-E345 PolarHBondContact O-N 3.05Å; Q342-E345 PolarHBondContact O-N 3.25Å; E343-E345 PolarHBondContact O-N 3.48Å; E345-R348 PolarHBondContact O-N 3.41Å; E345-R348 IonicContact OE1-CZ 2.8Å; E345-R348 VanDerWaalsContact OE1-CZ 3.22Å; E345-R348 IonicContact OE1-NH1 2.69Å; E345-R348 PolarHBondContact OE1-NH1 2.95Å; E345-R348 IonicContact OE1-NH2 2.71Å; E345-R348 PolarHBondContact OE1-NH2 3.01Å; E345-R348 IonicContact OE2-NH2 3.14Å; E345-R349 WeakPolarHBondContact O-CG 3.42Å; E345-R349 PolarHBondContact O-N 3.3Å; E345-R349 IonicContact OE2-CZ 3.9Å; E345-R349 IonicContact OE2-NE 2.67Å; E345-R349 IonicContact OE2-NH2 3.22Å; E345-R349 PolarHBondContact OE2-NH2 3.5Å
346Q95.9Very high91.2Very high119 Ų119107.9 Ų107.956%0.55651%0.513SS*.Hα-helixtrans-65.6-41176.4-72.1179.726.300111.7Q342 E343 A344 R349 K350Q342-Q346 WeakPolarHBondContact O-CG 3.42Å; Q342-Q346 PolarHBondContact O-N 2.97Å; E343-Q346 WeakPolarHBondContact O-CB 3.38Å; E343-Q346 PolarHBondContact O-N 3.35Å; E343-Q346 VanDerWaalsContact O-N 3.17Å; A344-Q346 VanDerWaalsContact C-N 3.34Å; A344-Q346 PolarHBondContact O-N 3.05Å; Q346-R349 PolarHBondContact O-N 3.27Å; Q346-K350 WeakPolarHBondContact O-CG 3.42Å; Q346-K350 PolarHBondContact O-N 2.99Å
347Y93.3Very high89.8Confident134 Ų134109.3 Ų109.353%0.52552%0.52SS..Hα-helixtrans-63.7-42.6172.3-81.1-74.7000112.1E343 A344 R349 K350 L351E343-Y347 HydrophobicContact CG-CD2 4.26Å; E343-Y347 HydrophobicContact CG-CE2 4.04Å; E343-Y347 VanDerWaalsContact O-CD2 3.28Å; E343-Y347 WeakPolarHBondContact O-CD2 3.44Å; E343-Y347 PolarHBondContact O-N 3.04Å; A344-Y347 PolarHBondContact O-N 3.13Å; Y347-R349 PolarHBondContact O-N 3.07Å; Y347-K350 PolarHBondContact O-N 3.05Å; Y347-L351 WeakPolarHBondContact O-CG 3.46Å; Y347-L351 PolarHBondContact O-N 3Å
348R92.8Very high87.9Confident137 Ų137110.5 Ų110.552%0.51752%0.522SS..Hα-helixtrans-57.5-47.3174.4-168-177.676-139.3-6111.3A344 E345 K350 L351 E352A344-R348 WeakPolarHBondContact O-CB 3.41Å; A344-R348 PolarHBondContact O-N 3.03Å; E345-R348 PolarHBondContact O-N 3.41Å; E345-R348 IonicContact OE1-CZ 2.8Å; E345-R348 VanDerWaalsContact OE1-CZ 3.22Å; E345-R348 IonicContact OE1-NH1 2.69Å; E345-R348 PolarHBondContact OE1-NH1 2.95Å; E345-R348 IonicContact OE1-NH2 2.71Å; E345-R348 PolarHBondContact OE1-NH2 3.01Å; E345-R348 IonicContact OE2-NH2 3.14Å; R348-K350 PolarHBondContact O-N 3.5Å; R348-L351 PolarHBondContact O-N 3.38Å; R348-E352 VanDerWaalsContact O-CB 3.28Å; R348-E352 WeakPolarHBondContact O-CB 3.45Å; R348-E352 PolarHBondContact O-N 3.04Å
349R92.3Very high85.8Confident151 Ų151111.7 Ų111.757%0.5754%0.535SS*.Hα-helixtrans-65.5-34.8177.7-70.4-179.6-162.2-1697.9113E345 Q346 Y347 A353E345-R349 WeakPolarHBondContact O-CG 3.42Å; E345-R349 PolarHBondContact O-N 3.3Å; E345-R349 IonicContact OE2-CZ 3.9Å; E345-R349 IonicContact OE2-NE 2.67Å; E345-R349 IonicContact OE2-NH2 3.22Å; E345-R349 PolarHBondContact OE2-NH2 3.5Å; Q346-R349 PolarHBondContact O-N 3.27Å; Y347-R349 PolarHBondContact O-N 3.07Å; R349-A353 VanDerWaalsContact O-CB 3.28Å; R349-A353 WeakPolarHBondContact O-CB 3.49Å; R349-A353 PolarHBondContact O-N 2.87Å
350K92.9Very high83.4Confident120 Ų120109.9 Ų109.952%0.52254%0.541SS..Hα-helixtrans-64.4-47.5172.8-74.5172.1-178.4177.70111.4Q346 Y347 R348 A353 I354Q346-K350 WeakPolarHBondContact O-CG 3.42Å; Q346-K350 PolarHBondContact O-N 2.99Å; Y347-K350 PolarHBondContact O-N 3.05Å; R348-K350 PolarHBondContact O-N 3.5Å; K350-A353 PolarHBondContact O-N 2.91Å; K350-I354 WeakPolarHBondContact O-CG1 3.49Å; K350-I354 PolarHBondContact O-N 3.25Å
351L86.6Confident81.5Confident120 Ų120107.7 Ų107.763%0.62855%0.553SS**Hα-helixtrans-61.7-43.6176.2-69.9166.4000111.7Y347 R348 A353 I354 A355Y347-L351 WeakPolarHBondContact O-CG 3.46Å; Y347-L351 PolarHBondContact O-N 3Å; R348-L351 PolarHBondContact O-N 3.38Å; L351-A353 VanDerWaalsContact C-N 3.35Å; L351-A353 PolarHBondContact O-N 2.87Å; L351-I354 PolarHBondContact O-N 3.2Å; L351-A355 WeakPolarHBondContact O-CB 3.35Å; L351-A355 PolarHBondContact O-N 2.95Å
352E88.1Confident79.1Confident70 Ų70108.2 Ų108.233%0.32756%0.564SS.*Hα-helixtrans-62.1-38.9175.5-171.5-17517000112.2R348 R356R348-E352 VanDerWaalsContact O-CB 3.28Å; R348-E352 WeakPolarHBondContact O-CB 3.45Å; R348-E352 PolarHBondContact O-N 3.04Å; E352-R356 WeakPolarHBondContact O-CB 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.47Å; E352-R356 PolarHBondContact O-N 3.4Å; E352-R356 IonicContact OE1-CZ 3.91Å; E352-R356 IonicContact OE1-NH1 3.84Å; E352-R356 PolarHBondContact OE1-NH1 3.42Å; E352-R356 IonicContact OE1-NH2 3.04Å; E352-R356 PolarHBondContact OE1-NH2 2.87Å
353A85.3Confident76.9Confident44 Ų44110.6 Ų110.636%0.36458%0.58SS.*Hα-helixtrans-70.1-33.8175.100000113R349 K350 L351 Q357R349-A353 VanDerWaalsContact O-CB 3.28Å; R349-A353 WeakPolarHBondContact O-CB 3.49Å; R349-A353 PolarHBondContact O-N 2.87Å; K350-A353 PolarHBondContact O-N 2.91Å; L351-A353 VanDerWaalsContact C-N 3.35Å; L351-A353 PolarHBondContact O-N 2.87Å; A353-Q357 WeakPolarHBondContact O-CG 3.5Å; A353-Q357 PolarHBondContact O-N 2.97Å; A353-Q357 PolarHBondContact O-NE2 3.29Å
354I83.2Confident74.1Confident104 Ų104116.4 Ų116.453%0.53361%0.605SS.*Hα-helixtrans-68.3-47.2172.4-68162.5000109.8K350 L351 R356 Q357K350-I354 WeakPolarHBondContact O-CG1 3.49Å; K350-I354 PolarHBondContact O-N 3.25Å; L351-I354 PolarHBondContact O-N 3.2Å; I354-R356 VanDerWaalsContact C-N 3.31Å; I354-R356 PolarHBondContact O-N 3.03Å; I354-Q357 PolarHBondContact O-N 2.73Å
355A78.1Confident71.7Confident69 Ų69119.2 Ų119.257%0.5762%0.616SS**Hα-helixtrans-61-36.7178.100000112.8L351 Q357 Q358L351-A355 WeakPolarHBondContact O-CB 3.35Å; L351-A355 PolarHBondContact O-N 2.95Å; A355-Q357 VanDerWaalsContact C-N 3.27Å; A355-Q357 PolarHBondContact O-N 3.47Å; A355-Q358 PolarHBondContact O-N 3.3Å
356R73.9Confident69.3Low188 Ų188125.2 Ų125.271%0.70965%0.646SS**THydrogen-bonded Turntrans-71.4-16173.9-77.7-175.9177125.812.8114.6E352 I354E352-R356 WeakPolarHBondContact O-CB 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.47Å; E352-R356 PolarHBondContact O-N 3.4Å; E352-R356 IonicContact OE1-CZ 3.91Å; E352-R356 IonicContact OE1-NH1 3.84Å; E352-R356 PolarHBondContact OE1-NH1 3.42Å; E352-R356 IonicContact OE1-NH2 3.04Å; E352-R356 PolarHBondContact OE1-NH2 2.87Å; I354-R356 VanDerWaalsContact C-N 3.31Å; I354-R356 PolarHBondContact O-N 3.03Å
357Q67.5Low66.5Low147 Ų147125.7 Ų125.769%0.68766%0.657SS**THydrogen-bonded Turntrans-95.615177.9-76.2173.597.900113.1A353 I354 A355 P359A353-Q357 WeakPolarHBondContact O-CG 3.5Å; A353-Q357 PolarHBondContact O-N 2.97Å; A353-Q357 PolarHBondContact O-NE2 3.29Å; I354-Q357 PolarHBondContact O-N 2.73Å; A355-Q357 VanDerWaalsContact C-N 3.27Å; A355-Q357 PolarHBondContact O-N 3.47Å; Q357-P359 WeakPolarHBondContact O-CD 3.46Å
358Q53.2Low64.4Low145 Ų145126.9 Ų126.968%0.67867%0.667SS**  trans-105.181.8177.4-75.4-74.2-700112.3A355 S360A355-Q358 PolarHBondContact O-N 3.3Å; Q358-S360 PolarHBondContact O-N 2.94Å
359P52.7Low62Low106 Ų106129.2 Ų129.269%0.68868%0.684SS**  trans-78.3111.8166.332.2-31.8000110.6Q357Q357-P359 WeakPolarHBondContact O-CD 3.46Å
360S47.1Very low59.6Low112 Ų112126.9 Ų126.978%0.78369%0.686SS**SBendtrans43.978.5154.961.50000118Q358Q358-S360 PolarHBondContact O-N 2.94Å
361G53.9Low57.1Low76 Ų76125.6 Ų125.678%0.78470%0.698SS**  trans54.483139.100000119
362V42.6Very low55Low129 Ų129128.7 Ų128.778%0.78271%0.709SS**  trans-133.7145.1147.8-176.10000107.2F364V362-F364 PolarHBondContact O-N 3.45Å
363D50.4Low52.7Low160 Ų160131.4 Ų131.486%0.85673%0.731SS**  trans-53.9133.4173.4-85.5-52.4000111.5
364F39Very low50.3Low192 Ų192136.7 Ų136.784%0.84275%0.753SS**  trans-123.4110.9162.2-110.1-89.7000109.5V362V362-F364 PolarHBondContact O-N 3.45Å
365T42.6Very low48.1Very low117 Ų117135.4 Ų135.472%0.71876%0.758SS**  trans-55.6136.6172.748.90000110.5V367T365-V367 PolarHBondContact O-N 3.44Å
366M44.4Very low46Very low190 Ų190137.9 Ų137.994%0.93677%0.766SS**  trans-61107.8168-68.6-179.7176.100109.4E368M366-E368 PolarHBondContact O-N 2.99Å
367V37.7Very low44.2Very low128 Ų128134.9 Ų134.978%0.77677%0.768SS**  trans-85.794.3159.5-1790000106T365 E369T365-V367 PolarHBondContact O-N 3.44Å; V367-E369 PolarHBondContact O-N 3.31Å; V367-E369 VanDerWaalsContact O-N 3.1Å
368E47.5Very low42.5Very low160 Ų160133.3 Ų133.375%0.74877%0.768SS**  trans-7096.8172.8-168.2-177.7173.800108.3M366 V370M366-E368 PolarHBondContact O-N 2.99Å; E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 HydrophobicContact CB-CG2 4.46Å; E368-V370 HydrophobicContact CG-CG2 3.94Å; E368-V370 PolarHBondContact O-N 2.99Å
369E42.7Very low41.5Very low186 Ų186131.9 Ų131.987%0.86977%0.769SS**  trans-76.187.2173-169.6168.7-143.200108.9V367 A371V367-E369 PolarHBondContact O-N 3.31Å; V367-E369 VanDerWaalsContact O-N 3.1Å; E369-A371 PolarHBondContact O-N 3.18Å
370V42Very low40.7Very low101 Ų101136.3 Ų136.361%0.61278%0.781SS**  trans-69.387.4-176.8-168.10000110.3E368 E372E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 HydrophobicContact CB-CG2 4.46Å; E368-V370 HydrophobicContact CG-CG2 3.94Å; E368-V370 PolarHBondContact O-N 2.99Å; V370-E372 PolarHBondContact O-N 3.44Å
371A40.3Very low39.9Very low94 Ų94134.3 Ų134.378%0.77778%0.777SS**PPolyproline II helixtrans-62.6122.9169.900000110E369E369-A371 PolarHBondContact O-N 3.18Å
372E42Very low38.8Very low184 Ų184139.7 Ų139.786%0.8678%0.782SS**PPolyproline II helixtrans-61.4145.2-156.2-64.3174.9116.600116V370 N374V370-E372 PolarHBondContact O-N 3.44Å; E372-N374 PolarHBondContact O-N 3.38Å
373V39.8Very low38.5Very low127 Ų127140.3 Ų140.377%0.7778%0.78SS**PPolyproline II helixtrans-67.5120.3170.2177.40000109.8A375V373-A375 HydrophobicContact CG1-CB 3.84Å
374N35.3Very low37.6Very low155 Ų155140.8 Ų140.883%0.82978%0.777SS**  trans-116.672.6167.1-131.7-30.2000110.3E372 V376E372-N374 PolarHBondContact O-N 3.38Å; N374-V376 PolarHBondContact O-N 2.76Å
375A38.2Very low37.5Very low77 Ų77137.9 Ų137.964%0.63677%0.767SS**  trans-81.997.2179.300000110.6V373 V377V373-A375 HydrophobicContact CG1-CB 3.84Å; A375-V377 PolarHBondContact O-N 3.09Å
376V32.3Very low37.1Very low122 Ų122141.2 Ų141.274%0.73977%0.766SS**  trans-87.2102.1171.81790000109.4N374 V378N374-V376 PolarHBondContact O-N 2.76Å; V376-V378 HydrophobicContact CG1-CG2 4.1Å
377V36.2Very low36.5Very low124 Ų124139.1 Ų139.175%0.75275%0.754SS**  trans-94.3110.3171177.80000109.2A375A375-V377 PolarHBondContact O-N 3.09Å
378V31.9Very low36.3Very low115 Ų115138 Ų13870%0.69775%0.748SS**  trans-142.584.1167-177.60000105.5V376V376-V378 HydrophobicContact CG1-CG2 4.1Å
379T32.7Very low35.5Very low114 Ų114138.4 Ų138.470%0.69975%0.749SS**  58.7123.593.763.30000114.3
380E36.2Very low35Very low200 Ų200135.1 Ų135.194%0.93574%0.742SS**  trans-61.2148.7165.6-54.4172140.600110.5
381G30.2Very low34.5Very low69 Ų69137 Ų13771%0.71175%0.754SS**  trans151.788.2168.600000117.8
382E30.7Very low34.1Very low190 Ų190135.9 Ų135.989%0.88875%0.752SS**  trans57.4159.7133.8-62.7-172.2135.300124.3
383L35.3Very low33.6Very low141 Ų141133.1 Ų133.174%0.73875%0.752SS**  trans69.4106.8169.8-58.1176.1000116.3
384E33.1Very low33.2Very low170 Ų170131.5 Ų131.579%0.79475%0.752SS**  75.9137.390.6-74.7-167.1163.500112.9
385E35.9Very low33Very low132 Ų132127.8 Ų127.862%0.61775%0.751SS**  cis-143.4154.333.7-77.6-168.3115.900114
386R34.4Very low32.9Very low187 Ų187130.6 Ų130.671%0.70676%0.76SS**  trans54.2154.7139.2-62171.9-155.6-99.51.3121.8
387E32.6Very low32.9Very low146 Ų146131.5 Ų131.568%0.68277%0.766SS**  cis-167.6152.2-13.9-108.4175.9-114.300105.7
388T32.1Very low32.9Very low105 Ų105133.8 Ų133.864%0.64477%0.768SS**  cis-117.5-143.1-3.153.10000107.9
389Q30.9Very low33.3Very low167 Ų167133.7 Ų133.778%0.7877%0.771SS**  cis-152.4121.62-146.1164.229.500105.8
390V33Very low33.2Very low118 Ų118136 Ų13672%0.71577%0.773SS**  52.1113.180.61780000112.6
391T32.3Very low32.9Very low140 Ų140132 Ų13286%0.85976%0.762SS**  cis-161.7161-4.519.20000107.3
392G30.7Very low32.8Very low71 Ų71139.7 Ų139.773%0.73277%0.77SS**  cis-178176.62.700000112.1
393S30.8Very low32.8Very low125 Ų125136.2 Ų136.287%0.87476%0.761SS**  trans-86.3-175.2176.356.50000110.7
394A33.1Very low32.8Very low93 Ų93134.1 Ų134.177%0.76976%0.759SS**  cis-154174.217.900000113.6
395G30.8Very low32.9Very low77 Ų77133.5 Ų133.579%0.79476%0.757SS**  trans-81.1167.4170.500000114
396T35.6Very low32.8Very low136 Ų136134.8 Ų134.883%0.83476%0.764SS**  trans-49.8145.2172.950.10000115.8
397T33Very low33Very low141 Ų141132.1 Ų132.187%0.86577%0.768SS**  -160.5138.7117.524.90000110.5
398E35.3Very low33.2Very low172 Ų172131.5 Ų131.580%0.80477%0.774SS**  trans-73.7168162.7-55.9-173.9130.800110.3
399P40.9Very low33.6Very low114 Ų114131.5 Ų131.574%0.7478%0.778SS**  -145.4137.994.835.1-18.6000116.6
400H29.4Very low34.2Very low163 Ų163132.2 Ų132.276%0.75580%0.802SS**  trans59.9102.9138.5-65.1-41.1000122.3
401T31.9Very low34.3Very low114 Ų114133 Ų13370%0.69981%0.806SS**  96.4126.7108.9-60.90000120.3
402R27.1Very low34.4Very low231 Ų231132.6 Ų132.687%0.87280%0.803SS**  trans90.7130.4152.9-92.1179.4176.2-179.9-1.1121.8
403V31.7Very low34.6Very low117 Ų117136 Ų13671%0.70981%0.807SS**  trans89.195.3137.4172.10000119.5
404S34.2Very low34.8Very low98 Ų98136.6 Ų136.669%0.68580%0.803SS**  75.1133.6126.2-57.40000123.4
405M35.9Very low35Very low156 Ų156139.4 Ų139.477%0.76881%0.806SS**  trans51.7114.7136.9-75.7163161.200118.8
406E34.1Very low35.2Very low160 Ų160143.5 Ų143.575%0.74881%0.806SS**  56.5103.990.2-69.6-170121.400114.2
407T37.9Very low35.2Very low130 Ų130144.1 Ų144.180%0.79880%0.804SS**  170.5144.5114.332.80000112
408V37.6Very low35.4Very low134 Ų134144.3 Ų144.381%0.81280%0.8SS**  trans49.7131.2136177.80000118
409S39.8Very low35.4Very low104 Ų104142 Ų14273%0.72780%0.799SS**  cis-159.6175.620-141.90000109
410S44.2Very low34.9Very low183 Ų183144.5 Ų144.5100%1.2881%0.805SS**  cis-144.606.2-71.10000110.3

Retrieved 410 of 410 residues in 871.7 ms (Link to these results)

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