A0A087WPV7_MOUSE Loading...

GDP-mannose pyrophosphorylase A

AlphaFold DB , UniProt , Accession A0A087WPV7, Species MOUSE (Mus musculus, Mouse), Gene Gmppa, Length 150 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
1R57.8Low55.4Low261 Ų261122.2 Ų122.299%0.98557%0.566SS**  01070-89.9-176.7173.4-146.3-0.6108.4R3R1-R3 PolarHBondContact O-N 3.09Å
2F46.2Very low57.3Low141 Ų141113.8 Ų113.862%0.61853%0.53SS*.  trans-95.465.3179.2-72.6-79.7000112.2L5 S6 F14F2-L5 PolarHBondContact O-N 3.46Å; F2-S6 PolarHBondContact O-N 3.35Å; F2-F14 HydrophobicContact CB-CE2 4.21Å
3R39.3Very low59.4Low183 Ų183106.5 Ų106.569%0.69150%0.497SS*.THydrogen-bonded Turntrans-91.5131.8163.2-73.6-175.4179.1-178.4-1.2107.2R1R1-R3 PolarHBondContact O-N 3.09Å
4P49.5Very low61.3Low106 Ų106100.8 Ų100.869%0.68847%0.47SS*.THydrogen-bonded Turncis-104.71.925.733.3-23.5000116.6S6P4-S6 PolarHBondContact O-N 2.8Å; P4-S6 VanDerWaalsContact O-N 3.15Å
5L48.3Very low63Low116 Ų116100.6 Ų100.661%0.60748%0.481SS*.G310 helixtrans-67.5-15-174.7-73.2160.4000114.9F2 F7 F14F2-L5 PolarHBondContact O-N 3.46Å; L5-F7 VanDerWaalsContact C-N 3.25Å; L5-F7 PolarHBondContact O-N 3.15Å; L5-F14 HydrophobicContact CB-CE1 3.66Å; L5-F14 HydrophobicContact CB-CZ 3.67Å; L5-F14 WeakPolarHBondContact O-CE1 3.47Å; L5-F14 WeakPolarHBondContact O-CZ 3.25Å
6S52.7Low64.4Low41 Ų4197.6 Ų97.629%0.28747%0.471SS..G310 helixtrans-79.915.8-173.962.70000116F2 P4F2-S6 PolarHBondContact O-N 3.35Å; P4-S6 PolarHBondContact O-N 2.8Å; P4-S6 VanDerWaalsContact O-N 3.15Å
7F50.8Low65.7Low173 Ų17397.8 Ų97.876%0.75949%0.492SS*.G310 helixtrans-95.4-25.8179.9-83.3-71.7000114.1L5L5-F7 VanDerWaalsContact C-N 3.25Å; L5-F7 PolarHBondContact O-N 3.15Å
8E54Low67Low177 Ų17796.4 Ų96.483%0.82751%0.506SS*.THydrogen-bonded Turntrans-120.8-21.2-172.2-66.3-179.5174.500113.9
9V62.9Low68.2Low61 Ų6193.6 Ų93.637%0.3749%0.494SS..SBendtrans-126.5126.1-176.8-178.30000109.6K11 L13 F14V9-K11 PolarHBondContact O-N 3.36Å; V9-L13 HydrophobicContact CG1-CB 3.64Å; V9-F14 HydrophobicContact CB-CD1 4.39Å; V9-F14 HydrophobicContact CB-CE1 4.05Å; V9-F14 HydrophobicContact CG1-CD1 4.29Å; V9-F14 HydrophobicContact CG1-CE1 4.41Å
10P73.1Confident69.4Low11 Ų1190.5 Ų90.57%0.07148%0.479CS..  trans-50.8132.6169.9-25.832.6000110.1P12 L13 Y44P10-P12 VanDerWaalsContact C-N 3.26Å; P10-P12 VanDerWaalsContact O-N 3.08Å; P10-L13 HydrophobicContact CB-CD1 4.45Å; P10-L13 HydrophobicContact CB-CG 4.45Å; P10-L13 HydrophobicContact CG-CD1 4.2Å; P10-L13 WeakPolarHBondContact O-CA 3.34Å; P10-L13 WeakPolarHBondContact O-CB 3.35Å; P10-L13 PolarHBondContact O-N 3.23Å; P10-Y44 HydrophobicContact CB-CD1 4.47Å; P10-Y44 HydrophobicContact CB-CG 4.4Å
11K74.9Confident70.4Confident74 Ų7487.2 Ų87.232%0.32246%0.461SS..G310 helixtrans-50-38.6-177-64.2-173.7-172.6158.90114.8V9 L13 F14 M21 Y44V9-K11 PolarHBondContact O-N 3.36Å; K11-L13 PolarHBondContact O-N 3.31Å; K11-L13 VanDerWaalsContact O-N 3.16Å; K11-F14 HydrophobicContact CB-CD2 4.07Å; K11-F14 HydrophobicContact CB-CE2 4.01Å; K11-F14 HydrophobicContact CG-CD2 4.33Å; K11-F14 HydrophobicContact CG-CE2 3.78Å; K11-F14 WeakPolarHBondContact O-CD2 3.2Å; K11-F14 PolarHBondContact O-N 3.25Å; K11-F14 VanDerWaalsContact O-N 3.1Å; K11-M21 WeakPolarHBondContact O-CE 3.44Å; K11-Y44 VanDerWaalsContact CD-OH 3.28Å; K11-Y44 WeakPolarHBondContact CD-OH 3.41Å; K11-Y44 VanDerWaalsContact CG-OH 3.28Å; K11-Y44 WeakPolarHBondContact CG-OH 3.38Å
12P78.3Confident72Confident21 Ų2175 Ų7514%0.13642%0.416CS..G310 helixtrans-57.7-25.6177.1-2636.4000113.9P10 M21 I22 Y44P10-P12 VanDerWaalsContact C-N 3.26Å; P10-P12 VanDerWaalsContact O-N 3.08Å; P12-M21 PolarHBondContact O-N 2.96Å; P12-I22 HydrophobicContact CB-CB 3.95Å; P12-I22 HydrophobicContact CB-CG1 4.45Å; P12-I22 HydrophobicContact CB-CG2 4.2Å; P12-I22 WeakPolarHBondContact O-CB 3.45Å; P12-I22 WeakPolarHBondContact O-CG2 3.25Å; P12-I22 PolarHBondContact O-N 3.37Å; P12-Y44 HydrophobicContact CG-CE2 4.48Å
13L84.9Confident74.2Confident19 Ų1969.9 Ų69.910%0.09939%0.393CS..G310 helixtrans-90.42-179.1-59.8-177.6000113.8V9 P10 K11 P20 I22 A49 L50 F53V9-L13 HydrophobicContact CG1-CB 3.64Å; P10-L13 HydrophobicContact CB-CD1 4.45Å; P10-L13 HydrophobicContact CB-CG 4.45Å; P10-L13 HydrophobicContact CG-CD1 4.2Å; P10-L13 WeakPolarHBondContact O-CA 3.34Å; P10-L13 WeakPolarHBondContact O-CB 3.35Å; P10-L13 PolarHBondContact O-N 3.23Å; K11-L13 PolarHBondContact O-N 3.31Å; K11-L13 VanDerWaalsContact O-N 3.16Å; L13-P20 HydrophobicContact CD2-CB 4.32Å; L13-I22 HydrophobicContact CD2-CG2 4.3Å; L13-A49 HydrophobicContact CD1-CB 4.28Å; L13-L50 HydrophobicContact CD1-CB 4.11Å; L13-L50 HydrophobicContact CD1-CD1 4.23Å; L13-L50 HydrophobicContact CD2-CD1 4.04Å; L13-L50 HydrophobicContact CG-CD1 4.17Å; L13-F53 HydrophobicContact CD2-CB 3.97Å; L13-F53 HydrophobicContact CD2-CD1 3.7Å; L13-F53 HydrophobicContact CD2-CD2 4.16Å; L13-F53 HydrophobicContact CD2-CE1 4.32Å; L13-F53 HydrophobicContact CD2-CG 3.62Å
14F86.1Confident76.8Confident27 Ų2763.7 Ų63.712%0.11837%0.372CS..SBendtrans-62.9132.9175.3-75.1-42.9000111F2 L5 V9 K11 V16 M21F2-F14 HydrophobicContact CB-CE2 4.21Å; L5-F14 HydrophobicContact CB-CE1 3.66Å; L5-F14 HydrophobicContact CB-CZ 3.67Å; L5-F14 WeakPolarHBondContact O-CE1 3.47Å; L5-F14 WeakPolarHBondContact O-CZ 3.25Å; V9-F14 HydrophobicContact CB-CD1 4.39Å; V9-F14 HydrophobicContact CB-CE1 4.05Å; V9-F14 HydrophobicContact CG1-CD1 4.29Å; V9-F14 HydrophobicContact CG1-CE1 4.41Å; K11-F14 HydrophobicContact CB-CD2 4.07Å; K11-F14 HydrophobicContact CB-CE2 4.01Å; K11-F14 HydrophobicContact CG-CD2 4.33Å; K11-F14 HydrophobicContact CG-CE2 3.78Å; K11-F14 WeakPolarHBondContact O-CD2 3.2Å; K11-F14 PolarHBondContact O-N 3.25Å; K11-F14 VanDerWaalsContact O-N 3.1Å; F14-V16 PolarHBondContact O-N 3.34Å; F14-M21 WeakPolarHBondContact O-CB 3.46Å; F14-M21 PolarHBondContact O-N 2.91Å
15P86.4Confident78.9Confident98 Ų9859.1 Ų59.164%0.63634%0.342SS*.EExtended strand (participates in β ladder)trans-71.5130.2-177.928-33.6000110.8V19P15-V19 CarbonylContact C-O 3.58Å; P15-V19 WeakPolarHBondContact CA-O 3.39Å
16V86.1Confident81.1Confident53 Ų5353.6 Ų53.632%0.32131%0.313SS..EExtended strand (participates in β ladder)trans-128.4122.8171.1178.40000106.9F14 G18 V19 M21 H24F14-V16 PolarHBondContact O-N 3.34Å; V16-G18 PolarHBondContact O-N 3.22Å; V16-G18 VanDerWaalsContact O-N 3.16Å; V16-V19 PolarHBondContact N-O 3.45Å; V16-V19 PolarHBondContact O-N 3.05Å; V16-M21 HydrophobicContact CG2-CB 3.97Å; V16-M21 HydrophobicContact CG2-CG 4.24Å; V16-H24 PolarHBondContact O-NE2 3.1Å
17A86.4Confident83.1Confident101 Ų10155.7 Ų55.784%0.83532%0.318SS*.THydrogen-bonded Turntrans53.930.7-175.500000114.6
18G88.1Confident85.2Confident72 Ų7248.5 Ų48.574%0.74229%0.291SS*.THydrogen-bonded Turntrans94.5-5.6174.500000115.8V16V16-G18 PolarHBondContact O-N 3.22Å; V16-G18 VanDerWaalsContact O-N 3.16Å
19V90.4Very high87.2Confident44 Ų4440.6 Ų40.627%0.26726%0.255SS..EExtended strand (participates in β ladder)trans-130.1157.4176-61.40000111.3P15 V16 M21 Q23 H24P15-V19 CarbonylContact C-O 3.58Å; P15-V19 WeakPolarHBondContact CA-O 3.39Å; V16-V19 PolarHBondContact N-O 3.45Å; V16-V19 PolarHBondContact O-N 3.05Å; V19-M21 PolarHBondContact O-N 3.23Å; V19-Q23 HydrophobicContact CB-CB 4.45Å; V19-Q23 HydrophobicContact CG2-CB 4.35Å; V19-H24 VanDerWaalsContact CG2-CE1 3.45Å; V19-H24 WeakPolarHBondContact CG2-CE1 3.27Å; V19-H24 WeakPolarHBondContact CG2-NE2 3.37Å
20P91.1Very high88.7Confident31 Ų3139.5 Ų39.520%0.20125%0.252CS..EExtended strand (participates in β ladder)trans-48.9136.6173.2-33.140.3000113.2L13 I22 Q23 F53L13-P20 HydrophobicContact CD2-CB 4.32Å; P20-I22 HydrophobicContact CB-CG2 4.38Å; P20-I22 PolarHBondContact O-N 2.94Å; P20-I22 VanDerWaalsContact O-N 3.13Å; P20-Q23 HydrophobicContact CB-CB 4.31Å; P20-Q23 WeakPolarHBondContact O-CB 3.4Å; P20-Q23 PolarHBondContact O-N 2.92Å; P20-F53 HydrophobicContact CB-CD2 4.28Å; P20-F53 HydrophobicContact CB-CE2 3.75Å; P20-F53 HydrophobicContact CB-CZ 4.16Å; P20-F53 HydrophobicContact CG-CD2 3.89Å; P20-F53 HydrophobicContact CG-CE2 3.66Å
21M90.4Very high89.7Confident22 Ų2245.3 Ų45.311%0.10828%0.278CS..Hα-helixtrans-52.9-37.9179.4-177.8173.758.300112.6K11 P12 F14 V16 V19 Q23 H24 H25 A100 D101K11-M21 WeakPolarHBondContact O-CE 3.44Å; P12-M21 PolarHBondContact O-N 2.96Å; F14-M21 WeakPolarHBondContact O-CB 3.46Å; F14-M21 PolarHBondContact O-N 2.91Å; V16-M21 HydrophobicContact CG2-CB 3.97Å; V16-M21 HydrophobicContact CG2-CG 4.24Å; V19-M21 PolarHBondContact O-N 3.23Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.25Å; M21-H24 PolarHBondContact O-N 3.09Å; M21-H25 PolarHBondContact O-ND1 3.47Å; M21-A100 WeakPolarHBondContact CE-O 3.45Å; M21-D101 HydrophobicContact CE-CB 4.26Å
22I91.6Very high90.7Very high4 Ų442.1 Ų42.12%0.02127%0.265CS..Hα-helixtrans-71.9-22178.7-161.767.7000113.4P12 L13 P20 H24 H25 I26 L40 F53 A100P12-I22 HydrophobicContact CB-CB 3.95Å; P12-I22 HydrophobicContact CB-CG1 4.45Å; P12-I22 HydrophobicContact CB-CG2 4.2Å; P12-I22 WeakPolarHBondContact O-CB 3.45Å; P12-I22 WeakPolarHBondContact O-CG2 3.25Å; P12-I22 PolarHBondContact O-N 3.37Å; L13-I22 HydrophobicContact CD2-CG2 4.3Å; P20-I22 HydrophobicContact CB-CG2 4.38Å; P20-I22 PolarHBondContact O-N 2.94Å; P20-I22 VanDerWaalsContact O-N 3.13Å; I22-H24 VanDerWaalsContact C-N 3.34Å; I22-H24 PolarHBondContact O-N 3.39Å; I22-H25 HydrophobicContact CD1-CB 4.17Å; I22-H25 WeakPolarHBondContact O-CB 3.4Å; I22-H25 PolarHBondContact O-N 3.43Å; I22-I26 HydrophobicContact CG1-CD1 4.36Å; I22-I26 WeakPolarHBondContact O-CG1 3.48Å; I22-I26 PolarHBondContact O-N 3.27Å; I22-L40 HydrophobicContact CD1-CD2 3.44Å; I22-L40 VanDerWaalsContact CD1-CD2 3.44Å; I22-L40 HydrophobicContact CG1-CD1 3.93Å; I22-L40 HydrophobicContact CG1-CD2 3.67Å; I22-L40 HydrophobicContact CG1-CG 4.48Å; I22-F53 HydrophobicContact CG2-CD1 4.09Å; I22-F53 HydrophobicContact CG2-CE1 3.24Å; I22-F53 HydrophobicContact CG2-CZ 3.49Å; I22-F53 VanDerWaalsContact CG2-CZ 3.49Å; I22-A100 HydrophobicContact CD1-CB 4.07Å
23Q93.2Very high91.5Very high33 Ų3345 Ų4515%0.15428%0.284CS..Hα-helixtrans-63-41.3175.3-172.8167.2-17.400111.3V19 P20 M21 H25 I26 E27 F53 F61V19-Q23 HydrophobicContact CB-CB 4.45Å; V19-Q23 HydrophobicContact CG2-CB 4.35Å; P20-Q23 HydrophobicContact CB-CB 4.31Å; P20-Q23 WeakPolarHBondContact O-CB 3.4Å; P20-Q23 PolarHBondContact O-N 2.92Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.25Å; Q23-H25 PolarHBondContact O-N 2.9Å; Q23-I26 PolarHBondContact O-N 3.46Å; Q23-I26 VanDerWaalsContact O-N 3.13Å; Q23-E27 WeakPolarHBondContact O-CB 3.33Å; Q23-E27 PolarHBondContact O-N 3.27Å; Q23-F53 HydrophobicContact CB-CE2 4.08Å; Q23-F53 HydrophobicContact CB-CZ 3.92Å; Q23-F61 HydrophobicContact CG-CE2 4.38Å; Q23-F61 HydrophobicContact CG-CZ 4.38Å
24H92.9Very high91.9Very high54 Ų5447.5 Ų47.525%0.2531%0.314CS..Hα-helixtrans-57.2-37.4174.7-63.2-77.6000112.4V16 V19 M21 I22 A28V16-H24 PolarHBondContact O-NE2 3.1Å; V19-H24 VanDerWaalsContact CG2-CE1 3.45Å; V19-H24 WeakPolarHBondContact CG2-CE1 3.27Å; V19-H24 WeakPolarHBondContact CG2-NE2 3.37Å; M21-H24 PolarHBondContact O-N 3.09Å; I22-H24 VanDerWaalsContact C-N 3.34Å; I22-H24 PolarHBondContact O-N 3.39Å; H24-A28 WeakPolarHBondContact O-CB 3.33Å; H24-A28 PolarHBondContact O-N 2.81Å
25H94.1Very high92.4Very high9 Ų948.5 Ų48.54%0.04232%0.32CS..Hα-helixtrans-71.1-43.4177.2-67.574.2000111.6M21 I22 Q23 E27 A28 C29 N99 A100 V102 F106M21-H25 PolarHBondContact O-ND1 3.47Å; I22-H25 HydrophobicContact CD1-CB 4.17Å; I22-H25 WeakPolarHBondContact O-CB 3.4Å; I22-H25 PolarHBondContact O-N 3.43Å; Q23-H25 PolarHBondContact O-N 2.9Å; H25-E27 VanDerWaalsContact C-N 3.34Å; H25-A28 PolarHBondContact O-N 2.89Å; H25-C29 WeakPolarHBondContact O-CB 3.49Å; H25-C29 PolarHBondContact O-N 3.35Å; H25-C29 PolarHBondContact O-SG 3.28Å; H25-C29 VanDerWaalsContact O-SG 3.36Å; H25-N99 PolarHBondContact NE2-O 2.81Å; H25-A100 PolarHBondContact CE1-O 3.35Å; H25-V102 PolarHBondContact CE1-O 3.26Å; H25-V102 PolarHBondContact NE2-O 3.33Å; H25-F106 AromaticContact CD2-CE2 3.96Å; H25-F106 AromaticContact NE2-CE2 3.9Å
26I94.9Very high92.9Very high1 Ų149.4 Ų49.41%0.00532%0.315CS..Hα-helixtrans-62.1-45.8178.5-67.9165.4000110I22 Q23 C29 A30 I38 F53 A57 F61 V65I22-I26 HydrophobicContact CG1-CD1 4.36Å; I22-I26 WeakPolarHBondContact O-CG1 3.48Å; I22-I26 PolarHBondContact O-N 3.27Å; Q23-I26 PolarHBondContact O-N 3.46Å; Q23-I26 VanDerWaalsContact O-N 3.13Å; I26-C29 PolarHBondContact O-N 3.47Å; I26-A30 VanDerWaalsContact O-CB 3.31Å; I26-A30 WeakPolarHBondContact O-CB 3.31Å; I26-A30 PolarHBondContact O-N 3.42Å; I26-I38 HydrophobicContact CB-CD1 4.11Å; I26-I38 HydrophobicContact CG1-CD1 4Å; I26-I38 HydrophobicContact CG2-CD1 3.97Å; I26-F53 HydrophobicContact CD1-CE1 3.76Å; I26-F53 HydrophobicContact CD1-CZ 3.98Å; I26-A57 HydrophobicContact CD1-CB 3.98Å; I26-A57 HydrophobicContact CG2-CB 4.47Å; I26-F61 HydrophobicContact CG2-CB 4.4Å; I26-F61 HydrophobicContact CG2-CD2 3.41Å; I26-F61 VanDerWaalsContact CG2-CD2 3.41Å; I26-F61 HydrophobicContact CG2-CE2 3.83Å; I26-F61 HydrophobicContact CG2-CG 3.94Å; I26-V65 HydrophobicContact CD1-CG1 4.3Å; I26-V65 HydrophobicContact CG2-CG2 4.44Å
27E94.5Very high93.4Very high85 Ų8549.4 Ų49.440%0.39731%0.312SS..Hα-helixtrans-60.7-46.7177-175.8174.5-172.600111.7Q23 H25 C29 A30 Q31 F61Q23-E27 WeakPolarHBondContact O-CB 3.33Å; Q23-E27 PolarHBondContact O-N 3.27Å; H25-E27 VanDerWaalsContact C-N 3.34Å; E27-C29 PolarHBondContact O-N 3.02Å; E27-A30 PolarHBondContact O-N 3.31Å; E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 3.28Å; E27-F61 HydrophobicContact CB-CE1 3.86Å; E27-F61 HydrophobicContact CB-CZ 3.99Å; E27-F61 HydrophobicContact CG-CE1 3.97Å; E27-F61 HydrophobicContact CG-CZ 4.44Å
28A94.6Very high93.9Very high22 Ų2245.5 Ų45.518%0.18228%0.277CS..Hα-helixtrans-61-42.9176.600000112.3H24 H25 Q31 L108H24-A28 WeakPolarHBondContact O-CB 3.33Å; H24-A28 PolarHBondContact O-N 2.81Å; H25-A28 PolarHBondContact O-N 2.89Å; A28-Q31 PolarHBondContact O-N 2.87Å; A28-L108 HydrophobicContact CB-CD1 4.18Å
29C95.6Very high94.3Very high11 Ų1144 Ų447%0.07425%0.251CS..Hα-helixtrans-67.4-38.1177.2-75.60000112.6H25 I26 E27 Q31 V32 M35 I38H25-C29 WeakPolarHBondContact O-CB 3.49Å; H25-C29 PolarHBondContact O-N 3.35Å; H25-C29 PolarHBondContact O-SG 3.28Å; H25-C29 VanDerWaalsContact O-SG 3.36Å; I26-C29 PolarHBondContact O-N 3.47Å; E27-C29 PolarHBondContact O-N 3.02Å; C29-Q31 PolarHBondContact O-N 3.44Å; C29-V32 WeakPolarHBondContact O-CB 3.49Å; C29-V32 PolarHBondContact O-N 3.41Å; C29-M35 HydrophobicContact CB-CE 4.05Å; C29-I38 HydrophobicContact CB-CD1 3.57Å; C29-I38 HydrophobicContact CB-CG1 4.07Å
30A95.5Very high94.4Very high37 Ų3742.9 Ų42.931%0.30624%0.244SC..Hα-helixtrans-64.4-24.7178.500000112.8I26 E27 V32 F61 L63I26-A30 VanDerWaalsContact O-CB 3.31Å; I26-A30 WeakPolarHBondContact O-CB 3.31Å; I26-A30 PolarHBondContact O-N 3.42Å; E27-A30 PolarHBondContact O-N 3.31Å; A30-V32 VanDerWaalsContact C-N 3.27Å; A30-V32 PolarHBondContact O-N 3Å; A30-F61 HydrophobicContact CB-CB 4.03Å; A30-F61 HydrophobicContact CB-CD1 3.96Å; A30-F61 HydrophobicContact CB-CG 4.26Å; A30-L63 HydrophobicContact CB-CD2 4.19Å
31Q94.8Very high94.5Very high133 Ų13344 Ų4462%0.62125%0.248SC*.THydrogen-bonded Turntrans-77.6-8.9174.2-66.31783700113.7E27 A28 C29 P33E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 3.28Å; A28-Q31 PolarHBondContact O-N 2.87Å; C29-Q31 PolarHBondContact O-N 3.44Å; Q31-P33 WeakPolarHBondContact O-CD 3.43Å
32V95.8Very high94.5Very high7 Ų743.3 Ų43.34%0.04225%0.246CC..SBendtrans-79.3124.9179.4-178.30000110.4C29 A30 G34 M35 F96 L108 L112C29-V32 WeakPolarHBondContact O-CB 3.49Å; C29-V32 PolarHBondContact O-N 3.41Å; A30-V32 VanDerWaalsContact C-N 3.27Å; A30-V32 PolarHBondContact O-N 3Å; V32-G34 PolarHBondContact O-N 3.46Å; V32-M35 HydrophobicContact CB-CB 4.41Å; V32-M35 HydrophobicContact CB-CE 3.79Å; V32-M35 HydrophobicContact CG1-CE 4.13Å; V32-M35 HydrophobicContact CG2-CE 4.03Å; V32-M35 WeakPolarHBondContact O-CB 3.23Å; V32-M35 PolarHBondContact O-N 3.47Å; V32-F96 HydrophobicContact CG1-CE2 4.07Å; V32-F96 HydrophobicContact CG1-CZ 4.49Å; V32-F96 HydrophobicContact CG2-CE2 4.46Å; V32-L108 HydrophobicContact CG2-CB 3.43Å; V32-L108 VanDerWaalsContact CG2-CB 3.43Å; V32-L108 HydrophobicContact CG2-CD1 3.93Å; V32-L108 HydrophobicContact CG2-CG 4.33Å; V32-L112 HydrophobicContact CG1-CD2 3.83Å
33P93.3Very high94.3Very high82 Ų8247.7 Ų47.753%0.53227%0.265SS..THydrogen-bonded Turntrans-60.2125.5178.8-24.134000112.4Q31 M35Q31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-M35 VanDerWaalsContact C-N 3.35Å
34G94.4Very high93.7Very high72 Ų7248.7 Ų48.774%0.74227%0.268SS*.THydrogen-bonded Turntrans77.117.1177.300000114.7V32 Q36V32-G34 PolarHBondContact O-N 3.46Å; G34-Q36 PolarHBondContact O-N 3.33Å
35M96.5Very high93.1Very high48 Ų4854 Ų5424%0.23629%0.293CS..  trans-57.4125.6170.7-173.460.169.200110.2C29 V32 P33 L63 F96C29-M35 HydrophobicContact CB-CE 4.05Å; V32-M35 HydrophobicContact CB-CB 4.41Å; V32-M35 HydrophobicContact CB-CE 3.79Å; V32-M35 HydrophobicContact CG1-CE 4.13Å; V32-M35 HydrophobicContact CG2-CE 4.03Å; V32-M35 WeakPolarHBondContact O-CB 3.23Å; V32-M35 PolarHBondContact O-N 3.47Å; P33-M35 VanDerWaalsContact C-N 3.35Å; M35-L63 HydrophobicContact CB-CD1 4.22Å; M35-L63 HydrophobicContact CG-CD1 3.8Å; M35-L63 HydrophobicContact CG-CD2 3.79Å; M35-L63 HydrophobicContact CG-CG 4.45Å; M35-L63 WeakPolarHBondContact O-CD1 3.47Å; M35-F96 HydrophobicContact CE-CD2 3.94Å; M35-F96 HydrophobicContact CE-CE2 4.11Å
36Q95.9Very high92.3Very high116 Ų11656.3 Ų56.354%0.54231%0.309SS..  trans-95.2-43.9-173.7-61.2-174.929.200112.4G34 P64G34-Q36 PolarHBondContact O-N 3.33Å; Q36-P64 WeakPolarHBondContact O-CD 3.44Å
37E96.8Very high91.7Very high53 Ų5359 Ų5925%0.24832%0.323CS..  trans-161.516417965.5179.3154.700111.1L39 P64E37-L39 HydrophobicContact CG-CD2 4.4Å; E37-L39 HydrophobicContact CG-CG 4.4Å; E37-P64 CarbonylContact C-O 3.54Å; E37-P64 VanDerWaalsContact CA-O 3.31Å; E37-P64 WeakPolarHBondContact CA-O 3.37Å; E37-P64 HydrophobicContact CB-CB 3.96Å
38I97.1Very high91.3Very high19 Ų1961.8 Ų61.810%0.09734%0.336CS..EExtended strand (participates in β ladder)trans-117.2125.2170.8-60.9175.7000108.5I26 C29 L40 L63 P64 V65 R66I26-I38 HydrophobicContact CB-CD1 4.11Å; I26-I38 HydrophobicContact CG1-CD1 4Å; I26-I38 HydrophobicContact CG2-CD1 3.97Å; C29-I38 HydrophobicContact CB-CD1 3.57Å; C29-I38 HydrophobicContact CB-CG1 4.07Å; I38-L40 HydrophobicContact CG2-CD2 4.13Å; I38-L40 HydrophobicContact CG2-CG 4.5Å; I38-L63 HydrophobicContact CD1-CD2 3.47Å; I38-L63 VanDerWaalsContact CD1-CD2 3.47Å; I38-L63 HydrophobicContact CD1-CG 4.44Å; I38-L63 HydrophobicContact CG1-CD2 3.68Å; I38-L63 HydrophobicContact CG1-CG 4.38Å; I38-P64 PolarHBondContact N-O 2.94Å; I38-V65 HydrophobicContact CB-CG1 4.16Å; I38-V65 HydrophobicContact CB-CG2 4.26Å; I38-V65 HydrophobicContact CD1-CG2 4.4Å; I38-V65 HydrophobicContact CG2-CG1 4.18Å; I38-V65 CarbonylContact O-C 3.52Å; I38-V65 WeakPolarHBondContact O-CA 3.28Å; I38-R66 PolarHBondContact O-N 2.97Å
39L95.9Very high91Very high40 Ų4063.1 Ų63.121%0.20935%0.347CS..EExtended strand (participates in β ladder)trans-105.9110.9174.8-59177.2000109.3E37 R66 L68 I87E37-L39 HydrophobicContact CG-CD2 4.4Å; E37-L39 HydrophobicContact CG-CG 4.4Å; L39-R66 HydrophobicContact CD2-CB 3.95Å; L39-L68 HydrophobicContact CB-CD1 4.22Å; L39-L68 HydrophobicContact CD1-CD1 4.1Å; L39-L68 HydrophobicContact CD2-CD1 4.24Å; L39-L68 HydrophobicContact CD2-CG 4.42Å; L39-L68 HydrophobicContact CG-CD1 4.42Å; L39-I87 HydrophobicContact CD1-CB 4.42Å; L39-I87 HydrophobicContact CD1-CG1 3.83Å
40L94.1Very high90.6Very high21 Ų2162.8 Ų62.811%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-86.8114.1170.6-62.7-175000109.2I22 I38 L54 V65 R66 Y67 L68I22-L40 HydrophobicContact CD1-CD2 3.44Å; I22-L40 VanDerWaalsContact CD1-CD2 3.44Å; I22-L40 HydrophobicContact CG1-CD1 3.93Å; I22-L40 HydrophobicContact CG1-CD2 3.67Å; I22-L40 HydrophobicContact CG1-CG 4.48Å; I38-L40 HydrophobicContact CG2-CD2 4.13Å; I38-L40 HydrophobicContact CG2-CG 4.5Å; L40-L54 HydrophobicContact CD1-CD1 4.39Å; L40-L54 HydrophobicContact CD1-CD2 3.32Å; L40-L54 HydrophobicContact CD1-CG 4.47Å; L40-V65 HydrophobicContact CD1-CG1 4.19Å; L40-V65 HydrophobicContact CG-CG1 4.19Å; L40-R66 PolarHBondContact N-O 3.37Å; L40-Y67 HydrophobicContact CB-CD2 3.88Å; L40-Y67 CarbonylContact O-C 3.48Å; L40-Y67 WeakPolarHBondContact O-CA 3.41Å; L40-Y67 WeakPolarHBondContact O-CD2 3.25Å; L40-L68 PolarHBondContact O-N 3.13Å
41I92.6Very high90.4Very high56 Ų5664 Ų6429%0.28735%0.348SS..EExtended strand (participates in β ladder)trans-106126.1-179-54.2177.3000108.9L68 E70 L80 F83 I87I41-L68 WeakPolarHBondContact CA-O 3.49Å; I41-L68 HydrophobicContact CG1-CB 4.22Å; I41-L68 HydrophobicContact CG1-CD1 4.3Å; I41-E70 HydrophobicContact CG2-CG 3.92Å; I41-L80 HydrophobicContact CD1-CD2 4.14Å; I41-F83 HydrophobicContact CD1-CD2 4.3Å; I41-F83 HydrophobicContact CG1-CD2 4.4Å; I41-F83 HydrophobicContact CG2-CD2 3.79Å; I41-F83 HydrophobicContact CG2-CE2 3.9Å; I41-I87 HydrophobicContact CD1-CD1 4.06Å
42G90.1Very high90.3Very high7 Ų762.6 Ų62.67%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-172.9171.3176.500000113.5Y67 L68 Q69 E70G42-Y67 PolarHBondContact O-OH 3.31Å; G42-Y67 VanDerWaalsContact O-OH 3.06Å; G42-L68 PolarHBondContact N-O 3Å; G42-Q69 CarbonylContact O-C 3.56Å; G42-Q69 VanDerWaalsContact O-CA 3.27Å; G42-Q69 WeakPolarHBondContact O-CA 3.36Å; G42-E70 PolarHBondContact O-N 3.21Å
43F87.1Confident90.2Very high96 Ų9663.6 Ų63.642%0.42135%0.345SS..SBendtrans-101.76-17566.3-86.7000113.8E70 P73F43-E70 HydrophobicContact CB-CB 4.08Å; F43-P73 HydrophobicContact CD1-CB 4.01Å; F43-P73 HydrophobicContact CE1-CB 4.32Å; F43-P73 HydrophobicContact CG-CB 4.19Å
44Y82Confident90.2Very high54 Ų5460.3 Ų60.321%0.21232%0.323CS..SBendtrans-67.5140.9176-57.3-79.4000109.9P10 K11 P12 P46 Y67P10-Y44 HydrophobicContact CB-CD1 4.47Å; P10-Y44 HydrophobicContact CB-CG 4.4Å; K11-Y44 VanDerWaalsContact CD-OH 3.28Å; K11-Y44 WeakPolarHBondContact CD-OH 3.41Å; K11-Y44 VanDerWaalsContact CG-OH 3.28Å; K11-Y44 WeakPolarHBondContact CG-OH 3.38Å; P12-Y44 HydrophobicContact CG-CE2 4.48Å; Y44-P46 WeakPolarHBondContact O-CD 3.41Å; Y44-Y67 WeakPolarHBondContact CA-OH 3.34Å; Y44-Y67 WeakPolarHBondContact CB-OH 3.22Å; Y44-Y67 PolarHBondContact N-OH 2.84Å; Y44-Y67 WeakPolarHBondContact O-CE1 3.32Å; Y44-Y67 PolarHBondContact O-OH 2.85Å
45Q80Confident90.2Very high164 Ų16462 Ų6277%0.76631%0.312SS*.PPolyproline II helixtrans-68.1126.2163.5-71-153.3-18.900107.8D47Q45-D47 PolarHBondContact O-N 2.87Å; Q45-D47 VanDerWaalsContact O-N 3.15Å
46P76.6Confident90.1Very high59 Ų5962.1 Ų62.138%0.38332%0.321SS..PPolyproline II helixtrans-60.8119.9173.4-12.623.9000108.3Y44 Y67 Q69Y44-P46 WeakPolarHBondContact O-CD 3.41Å; P46-Y67 HydrophobicContact CG-CD1 3.74Å; P46-Y67 HydrophobicContact CG-CE1 3.8Å; P46-Q69 VanDerWaalsContact CD-OE1 3.32Å
47D83.8Confident90.1Very high56 Ų5656.7 Ų56.730%0.29930%0.296SS..  trans-93.6175.7166.560.910.8000109.8Q45 A49 L50 T51Q45-D47 PolarHBondContact O-N 2.87Å; Q45-D47 VanDerWaalsContact O-N 3.15Å; D47-A49 PolarHBondContact O-N 3.37Å; D47-A49 PolarHBondContact OD1-N 3.2Å; D47-L50 PolarHBondContact O-N 3.43Å; D47-L50 WeakPolarHBondContact OD1-CB 3.38Å; D47-L50 PolarHBondContact OD1-N 2.96Å; D47-T51 PolarHBondContact O-N 3.22Å; D47-T51 VanDerWaalsContact O-N 3.1Å; D47-T51 PolarHBondContact O-OG1 3.01Å
48E85.9Confident90.1Very high145 Ų14557.5 Ų57.568%0.67830%0.299SS*.Hα-helixtrans-59-37177.4-175.2174.1-176.300111.4T51 Q52E48-T51 PolarHBondContact O-N 3.27Å; E48-Q52 HydrophobicContact CG-CG 4.3Å; E48-Q52 WeakPolarHBondContact O-CB 3.35Å; E48-Q52 VanDerWaalsContact O-CG 3.28Å; E48-Q52 WeakPolarHBondContact O-CG 3.49Å; E48-Q52 PolarHBondContact O-N 3.29Å; E48-Q52 PolarHBondContact OE1-NE2 2.89Å
49A87.4Confident90.1Very high50 Ų5064.3 Ų64.341%0.41333%0.331SS..Hα-helixtrans-64.9-46.3-179.500000112.5L13 D47 F53L13-A49 HydrophobicContact CD1-CB 4.28Å; D47-A49 PolarHBondContact O-N 3.37Å; D47-A49 PolarHBondContact OD1-N 3.2Å; A49-F53 VanDerWaalsContact O-CB 3.27Å; A49-F53 WeakPolarHBondContact O-CB 3.49Å; A49-F53 PolarHBondContact O-N 3.18Å
50L88.1Confident90.1Very high4 Ų468.3 Ų68.32%0.02135%0.348CS..Hα-helixtrans-64.3-43.3175.9-17761.8000110.8L13 D47 F53 L54 Y67L13-L50 HydrophobicContact CD1-CB 4.11Å; L13-L50 HydrophobicContact CD1-CD1 4.23Å; L13-L50 HydrophobicContact CD2-CD1 4.04Å; L13-L50 HydrophobicContact CG-CD1 4.17Å; D47-L50 PolarHBondContact O-N 3.43Å; D47-L50 WeakPolarHBondContact OD1-CB 3.38Å; D47-L50 PolarHBondContact OD1-N 2.96Å; L50-F53 PolarHBondContact O-N 2.86Å; L50-L54 HydrophobicContact CD1-CD1 4.32Å; L50-L54 HydrophobicContact CD1-CD2 4.45Å; L50-L54 HydrophobicContact CD1-CG 4.24Å; L50-L54 HydrophobicContact CG-CD1 4.2Å; L50-L54 HydrophobicContact CG-CG 4.46Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 2.93Å; L50-Y67 HydrophobicContact CD2-CD2 4.16Å; L50-Y67 HydrophobicContact CD2-CE2 4.18Å; L50-Y67 HydrophobicContact CD2-CG 4.34Å
51T90.3Very high90.1Very high61 Ų6169.4 Ų69.437%0.37435%0.352SS..Hα-helixtrans-61-50.8-179.6-54.10000111.2D47 E48 F53 L54 E55D47-T51 PolarHBondContact O-N 3.22Å; D47-T51 VanDerWaalsContact O-N 3.1Å; D47-T51 PolarHBondContact O-OG1 3.01Å; E48-T51 PolarHBondContact O-N 3.27Å; T51-F53 VanDerWaalsContact C-N 3.32Å; T51-F53 PolarHBondContact O-N 2.76Å; T51-L54 PolarHBondContact O-N 3.41Å; T51-E55 WeakPolarHBondContact O-CG 3.33Å; T51-E55 PolarHBondContact O-N 3.32Å
52Q92.4Very high90.3Very high105 Ų10573.9 Ų73.949%0.49138%0.377SS..Hα-helixtrans-61.2-40.6177.7-73.5176.60.300112.2E48 E55 A56E48-Q52 HydrophobicContact CG-CG 4.3Å; E48-Q52 WeakPolarHBondContact O-CB 3.35Å; E48-Q52 VanDerWaalsContact O-CG 3.28Å; E48-Q52 WeakPolarHBondContact O-CG 3.49Å; E48-Q52 PolarHBondContact O-N 3.29Å; E48-Q52 PolarHBondContact OE1-NE2 2.89Å; Q52-E55 PolarHBondContact O-N 2.92Å; Q52-A56 WeakPolarHBondContact O-CB 3.47Å; Q52-A56 PolarHBondContact O-N 3.45Å
53F93.1Very high90.6Very high27 Ų2774.1 Ų74.112%0.11838%0.376CS..Hα-helixtrans-61-45.4176.3170.7-91.7000111.7L13 P20 I22 Q23 I26 A49 L50 T51 A56 A57L13-F53 HydrophobicContact CD2-CB 3.97Å; L13-F53 HydrophobicContact CD2-CD1 3.7Å; L13-F53 HydrophobicContact CD2-CD2 4.16Å; L13-F53 HydrophobicContact CD2-CE1 4.32Å; L13-F53 HydrophobicContact CD2-CG 3.62Å; P20-F53 HydrophobicContact CB-CD2 4.28Å; P20-F53 HydrophobicContact CB-CE2 3.75Å; P20-F53 HydrophobicContact CB-CZ 4.16Å; P20-F53 HydrophobicContact CG-CD2 3.89Å; P20-F53 HydrophobicContact CG-CE2 3.66Å; I22-F53 HydrophobicContact CG2-CD1 4.09Å; I22-F53 HydrophobicContact CG2-CE1 3.24Å; I22-F53 HydrophobicContact CG2-CZ 3.49Å; I22-F53 VanDerWaalsContact CG2-CZ 3.49Å; Q23-F53 HydrophobicContact CB-CE2 4.08Å; Q23-F53 HydrophobicContact CB-CZ 3.92Å; I26-F53 HydrophobicContact CD1-CE1 3.76Å; I26-F53 HydrophobicContact CD1-CZ 3.98Å; A49-F53 VanDerWaalsContact O-CB 3.27Å; A49-F53 WeakPolarHBondContact O-CB 3.49Å; A49-F53 PolarHBondContact O-N 3.18Å; L50-F53 PolarHBondContact O-N 2.86Å; T51-F53 VanDerWaalsContact C-N 3.32Å; T51-F53 PolarHBondContact O-N 2.76Å; F53-A56 PolarHBondContact O-N 3.09Å; F53-A57 HydrophobicContact CE1-CB 4.41Å; F53-A57 HydrophobicContact CZ-CB 4.41Å; F53-A57 WeakPolarHBondContact O-CB 3.5Å; F53-A57 PolarHBondContact O-N 2.88Å
54L93.4Very high91Very high13 Ų1372.4 Ų72.47%0.06838%0.375CS..Hα-helixtrans-66.3-42.8179.8-63.1179000111.6L40 L50 T51 A56 A57 Q58 V65L40-L54 HydrophobicContact CD1-CD1 4.39Å; L40-L54 HydrophobicContact CD1-CD2 3.32Å; L40-L54 HydrophobicContact CD1-CG 4.47Å; L50-L54 HydrophobicContact CD1-CD1 4.32Å; L50-L54 HydrophobicContact CD1-CD2 4.45Å; L50-L54 HydrophobicContact CD1-CG 4.24Å; L50-L54 HydrophobicContact CG-CD1 4.2Å; L50-L54 HydrophobicContact CG-CG 4.46Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 2.93Å; T51-L54 PolarHBondContact O-N 3.41Å; L54-A56 PolarHBondContact O-N 3.09Å; L54-A57 PolarHBondContact O-N 2.89Å; L54-Q58 WeakPolarHBondContact O-CB 3.37Å; L54-Q58 VanDerWaalsContact O-CG 3.23Å; L54-Q58 WeakPolarHBondContact O-CG 3.49Å; L54-Q58 PolarHBondContact O-N 2.8Å; L54-V65 HydrophobicContact CD2-CG1 3.74Å
55E94.8Very high91.7Very high109 Ų10970 Ų7051%0.50937%0.366SS..Hα-helixtrans-60-44.9175.6-71.5176.4171.500112T51 Q52 Q58 Q59T51-E55 WeakPolarHBondContact O-CG 3.33Å; T51-E55 PolarHBondContact O-N 3.32Å; Q52-E55 PolarHBondContact O-N 2.92Å; E55-Q58 PolarHBondContact O-N 3.2Å; E55-Q59 WeakPolarHBondContact O-CG 3.38Å; E55-Q59 PolarHBondContact O-N 2.9Å
56A95.7Very high92.3Very high50 Ų5067.4 Ų67.441%0.41335%0.349SS..Hα-helixtrans-63.1-46.1176.700000111.7Q52 F53 L54 Q58 Q59 E60Q52-A56 WeakPolarHBondContact O-CB 3.47Å; Q52-A56 PolarHBondContact O-N 3.45Å; F53-A56 PolarHBondContact O-N 3.09Å; L54-A56 PolarHBondContact O-N 3.09Å; A56-Q58 VanDerWaalsContact C-N 3.34Å; A56-Q58 PolarHBondContact O-N 2.77Å; A56-Q59 PolarHBondContact O-N 3.21Å; A56-E60 WeakPolarHBondContact O-CB 3.41Å; A56-E60 PolarHBondContact O-N 3.03Å
57A95.5Very high93.1Very high2 Ų266.7 Ų66.72%0.01734%0.339CS..Hα-helixtrans-62.3-40.5177.700000112I26 F53 L54 Q59 E60 F61I26-A57 HydrophobicContact CD1-CB 3.98Å; I26-A57 HydrophobicContact CG2-CB 4.47Å; F53-A57 HydrophobicContact CE1-CB 4.41Å; F53-A57 HydrophobicContact CZ-CB 4.41Å; F53-A57 WeakPolarHBondContact O-CB 3.5Å; F53-A57 PolarHBondContact O-N 2.88Å; L54-A57 PolarHBondContact O-N 2.89Å; A57-Q59 VanDerWaalsContact C-N 3.28Å; A57-Q59 PolarHBondContact O-N 3.4Å; A57-E60 PolarHBondContact O-N 3.46Å; A57-F61 HydrophobicContact CB-CD2 4.29Å; A57-F61 VanDerWaalsContact O-CD2 3.25Å; A57-F61 WeakPolarHBondContact O-CD2 3.38Å; A57-F61 PolarHBondContact O-N 3.28Å
58Q96.4Very high93.6Very high70 Ų7064.5 Ų64.533%0.32733%0.327SS..Hα-helixtrans-58.9-41.4175.7-75.2-176.4-88.800112.2L54 E55 A56 N62 L63 V65L54-Q58 WeakPolarHBondContact O-CB 3.37Å; L54-Q58 VanDerWaalsContact O-CG 3.23Å; L54-Q58 WeakPolarHBondContact O-CG 3.49Å; L54-Q58 PolarHBondContact O-N 2.8Å; E55-Q58 PolarHBondContact O-N 3.2Å; A56-Q58 VanDerWaalsContact C-N 3.34Å; A56-Q58 PolarHBondContact O-N 2.77Å; Q58-N62 VanDerWaalsContact O-CA 3.25Å; Q58-N62 WeakPolarHBondContact O-CA 3.38Å; Q58-N62 PolarHBondContact O-N 3.36Å; Q58-L63 WeakPolarHBondContact CA-O 3.27Å; Q58-L63 PolarHBondContact O-N 3.45Å; Q58-V65 VanDerWaalsContact CD-O 3.32Å; Q58-V65 HydrophobicContact CG-CB 3.74Å; Q58-V65 HydrophobicContact CG-CG2 3.9Å; Q58-V65 VanDerWaalsContact CG-N 3.35Å; Q58-V65 PolarHBondContact OE1-O 3.39Å
59Q96.1Very high93.9Very high161 Ų16161.8 Ų61.875%0.75231%0.314SS*.Hα-helixtrans-72-44178.4-68.1176.7-4.400112E55 A56 A57E55-Q59 WeakPolarHBondContact O-CG 3.38Å; E55-Q59 PolarHBondContact O-N 2.9Å; A56-Q59 PolarHBondContact O-N 3.21Å; A57-Q59 VanDerWaalsContact C-N 3.28Å; A57-Q59 PolarHBondContact O-N 3.4Å
60E96.3Very high94.1Very high125 Ų12560.2 Ų60.258%0.58430%0.299SS*.Hα-helixtrans-63.2-46-178.4-176.7176.4177.700112A56 A57A56-E60 WeakPolarHBondContact O-CB 3.41Å; A56-E60 PolarHBondContact O-N 3.03Å; A57-E60 PolarHBondContact O-N 3.46Å
61F95.4Very high94.1Very high43 Ų4367.3 Ų67.319%0.18933%0.33CS..Hα-helixtrans-95.7-2.9-175.7-62-73.5000113.7Q23 I26 E27 A30 A57 L63Q23-F61 HydrophobicContact CG-CE2 4.38Å; Q23-F61 HydrophobicContact CG-CZ 4.38Å; I26-F61 HydrophobicContact CG2-CB 4.4Å; I26-F61 HydrophobicContact CG2-CD2 3.41Å; I26-F61 VanDerWaalsContact CG2-CD2 3.41Å; I26-F61 HydrophobicContact CG2-CE2 3.83Å; I26-F61 HydrophobicContact CG2-CG 3.94Å; E27-F61 HydrophobicContact CB-CE1 3.86Å; E27-F61 HydrophobicContact CB-CZ 3.99Å; E27-F61 HydrophobicContact CG-CE1 3.97Å; E27-F61 HydrophobicContact CG-CZ 4.44Å; A30-F61 HydrophobicContact CB-CB 4.03Å; A30-F61 HydrophobicContact CB-CD1 3.96Å; A30-F61 HydrophobicContact CB-CG 4.26Å; A57-F61 HydrophobicContact CB-CD2 4.29Å; A57-F61 VanDerWaalsContact O-CD2 3.25Å; A57-F61 WeakPolarHBondContact O-CD2 3.38Å; A57-F61 PolarHBondContact O-N 3.28Å; F61-L63 HydrophobicContact CB-CB 4.36Å; F61-L63 PolarHBondContact O-N 3.3Å
62N95.5Very high94Very high150 Ų15066.1 Ų66.180%0.80233%0.326SS*.THydrogen-bonded Turntrans48.243.2-174.7-172.149.5000112.5Q58Q58-N62 VanDerWaalsContact O-CA 3.25Å; Q58-N62 WeakPolarHBondContact O-CA 3.38Å; Q58-N62 PolarHBondContact O-N 3.36Å
63L96.5Very high93.7Very high12 Ų1265.6 Ų65.66%0.06333%0.332CS..SBendtrans-136.3128-174.6-179.165.3000109.3A30 M35 I38 Q58 F61 V65A30-L63 HydrophobicContact CB-CD2 4.19Å; M35-L63 HydrophobicContact CB-CD1 4.22Å; M35-L63 HydrophobicContact CG-CD1 3.8Å; M35-L63 HydrophobicContact CG-CD2 3.79Å; M35-L63 HydrophobicContact CG-CG 4.45Å; M35-L63 WeakPolarHBondContact O-CD1 3.47Å; I38-L63 HydrophobicContact CD1-CD2 3.47Å; I38-L63 VanDerWaalsContact CD1-CD2 3.47Å; I38-L63 HydrophobicContact CD1-CG 4.44Å; I38-L63 HydrophobicContact CG1-CD2 3.68Å; I38-L63 HydrophobicContact CG1-CG 4.38Å; Q58-L63 WeakPolarHBondContact CA-O 3.27Å; Q58-L63 PolarHBondContact O-N 3.45Å; F61-L63 HydrophobicContact CB-CB 4.36Å; F61-L63 PolarHBondContact O-N 3.3Å; L63-V65 WeakPolarHBondContact O-CG2 3.38Å; L63-V65 PolarHBondContact O-N 3.06Å
64P96.2Very high93.4Very high61 Ų6167 Ų6740%0.39634%0.34SS..  trans-58.9128.5175.3-24.334.2000111.8Q36 E37 I38Q36-P64 WeakPolarHBondContact O-CD 3.44Å; E37-P64 CarbonylContact C-O 3.54Å; E37-P64 VanDerWaalsContact CA-O 3.31Å; E37-P64 WeakPolarHBondContact CA-O 3.37Å; E37-P64 HydrophobicContact CB-CB 3.96Å; I38-P64 PolarHBondContact N-O 2.94Å
65V95.8Very high92.9Very high2 Ų268.8 Ų68.81%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-128.5120.5175.8-170.20000107.3I26 I38 L40 L54 Q58 L63I26-V65 HydrophobicContact CD1-CG1 4.3Å; I26-V65 HydrophobicContact CG2-CG2 4.44Å; I38-V65 HydrophobicContact CB-CG1 4.16Å; I38-V65 HydrophobicContact CB-CG2 4.26Å; I38-V65 HydrophobicContact CD1-CG2 4.4Å; I38-V65 HydrophobicContact CG2-CG1 4.18Å; I38-V65 CarbonylContact O-C 3.52Å; I38-V65 WeakPolarHBondContact O-CA 3.28Å; L40-V65 HydrophobicContact CD1-CG1 4.19Å; L40-V65 HydrophobicContact CG-CG1 4.19Å; L54-V65 HydrophobicContact CD2-CG1 3.74Å; Q58-V65 VanDerWaalsContact CD-O 3.32Å; Q58-V65 HydrophobicContact CG-CB 3.74Å; Q58-V65 HydrophobicContact CG-CG2 3.9Å; Q58-V65 VanDerWaalsContact CG-N 3.35Å; Q58-V65 PolarHBondContact OE1-O 3.39Å; L63-V65 WeakPolarHBondContact O-CG2 3.38Å; L63-V65 PolarHBondContact O-N 3.06Å
66R93.7Very high92.1Very high111 Ų11170.6 Ų70.642%0.41938%0.38SS..EExtended strand (participates in β ladder)trans-123.8142.5-177.8-69.417249.2-174.5-8.9110.6I38 L39 L40I38-R66 PolarHBondContact O-N 2.97Å; L39-R66 HydrophobicContact CD2-CB 3.95Å; L40-R66 PolarHBondContact N-O 3.37Å
67Y93.5Very high91.7Very high44 Ų4470.4 Ų70.417%0.17338%0.384CS..EExtended strand (participates in β ladder)trans-96.2124.7170.5-173.3-108.7000110.8L40 G42 Y44 P46 L50 Q69L40-Y67 HydrophobicContact CB-CD2 3.88Å; L40-Y67 CarbonylContact O-C 3.48Å; L40-Y67 WeakPolarHBondContact O-CA 3.41Å; L40-Y67 WeakPolarHBondContact O-CD2 3.25Å; G42-Y67 PolarHBondContact O-OH 3.31Å; G42-Y67 VanDerWaalsContact O-OH 3.06Å; Y44-Y67 WeakPolarHBondContact CA-OH 3.34Å; Y44-Y67 WeakPolarHBondContact CB-OH 3.22Å; Y44-Y67 PolarHBondContact N-OH 2.84Å; Y44-Y67 WeakPolarHBondContact O-CE1 3.32Å; Y44-Y67 PolarHBondContact O-OH 2.85Å; P46-Y67 HydrophobicContact CG-CD1 3.74Å; P46-Y67 HydrophobicContact CG-CE1 3.8Å; L50-Y67 HydrophobicContact CD2-CD2 4.16Å; L50-Y67 HydrophobicContact CD2-CE2 4.18Å; L50-Y67 HydrophobicContact CD2-CG 4.34Å; Y67-Q69 HydrophobicContact CD1-CB 4.15Å; Y67-Q69 HydrophobicContact CE1-CB 3.69Å; Y67-Q69 HydrophobicContact CE1-CG 4.04Å
68L93.6Very high91.6Very high9 Ų971.2 Ų71.25%0.04739%0.392CS..EExtended strand (participates in β ladder)trans-106.8103.5174.1-55.6-172.8000108.6L39 L40 I41 G42 E70 F83 Q86L39-L68 HydrophobicContact CB-CD1 4.22Å; L39-L68 HydrophobicContact CD1-CD1 4.1Å; L39-L68 HydrophobicContact CD2-CD1 4.24Å; L39-L68 HydrophobicContact CD2-CG 4.42Å; L39-L68 HydrophobicContact CG-CD1 4.42Å; L40-L68 PolarHBondContact O-N 3.13Å; I41-L68 WeakPolarHBondContact CA-O 3.49Å; I41-L68 HydrophobicContact CG1-CB 4.22Å; I41-L68 HydrophobicContact CG1-CD1 4.3Å; G42-L68 PolarHBondContact N-O 3Å; L68-E70 PolarHBondContact O-N 2.97Å; L68-F83 HydrophobicContact CB-CD1 4.19Å; L68-F83 HydrophobicContact CB-CD2 3.89Å; L68-F83 HydrophobicContact CB-CE1 4.09Å; L68-F83 HydrophobicContact CB-CE2 3.79Å; L68-F83 HydrophobicContact CB-CG 4.1Å; L68-F83 HydrophobicContact CB-CZ 3.9Å; L68-F83 HydrophobicContact CD1-CB 3.75Å; L68-F83 HydrophobicContact CD1-CD1 3.98Å; L68-F83 HydrophobicContact CD1-CD2 4.15Å; L68-F83 HydrophobicContact CD1-CG 3.69Å; L68-Q86 HydrophobicContact CD1-CB 4.5Å; L68-Q86 VanDerWaalsContact CD2-OE1 3.25Å
69Q92.3Very high91.4Very high89 Ų8968 Ų6842%0.41638%0.378SS..EExtended strand (participates in β ladder)trans-79.7117.4-175.9-172.1-179.4-8.100111.4G42 P46 Y67 F83G42-Q69 CarbonylContact O-C 3.56Å; G42-Q69 VanDerWaalsContact O-CA 3.27Å; G42-Q69 WeakPolarHBondContact O-CA 3.36Å; P46-Q69 VanDerWaalsContact CD-OE1 3.32Å; Y67-Q69 HydrophobicContact CD1-CB 4.15Å; Y67-Q69 HydrophobicContact CE1-CB 3.69Å; Y67-Q69 HydrophobicContact CE1-CG 4.04Å; Q69-F83 WeakPolarHBondContact O-CZ 3.29Å
70E91Very high91.3Very high17 Ų1763.2 Ų63.28%0.07936%0.357CS..  trans-69.4138.8167.6-57.1177.6102.600110.6I41 G42 F43 L68 A72 L74 G79 F83I41-E70 HydrophobicContact CG2-CG 3.92Å; G42-E70 PolarHBondContact O-N 3.21Å; F43-E70 HydrophobicContact CB-CB 4.08Å; L68-E70 PolarHBondContact O-N 2.97Å; E70-A72 VanDerWaalsContact CB-O 3.25Å; E70-A72 WeakPolarHBondContact CB-O 3.44Å; E70-A72 PolarHBondContact O-N 2.9Å; E70-L74 WeakPolarHBondContact OE1-CB 3.25Å; E70-L74 PolarHBondContact OE1-N 3.4Å; E70-G79 WeakPolarHBondContact OE1-CA 3.38Å; E70-G79 PolarHBondContact OE1-N 3.45Å; E70-F83 HydrophobicContact CG-CE2 4.13Å
71F88Confident91.2Very high153 Ų15365.2 Ų65.267%0.67136%0.361SS*.SBendtrans-70.4-19.7176.767.3-92.3000113.3L74 H82F71-L74 HydrophobicContact CD1-CD1 4.42Å; F71-L74 HydrophobicContact CD1-CD2 4.5Å; F71-L74 HydrophobicContact CE1-CD1 3.84Å; F71-L74 HydrophobicContact CE1-CD2 3.75Å; F71-L74 HydrophobicContact CE1-CG 4.35Å; F71-L74 HydrophobicContact CE2-CD2 3.99Å; F71-L74 HydrophobicContact CZ-CD1 4.39Å; F71-L74 HydrophobicContact CZ-CD2 3.47Å; F71-L74 VanDerWaalsContact CZ-CD2 3.47Å; F71-H82 AromaticContact CD1-CE1 3.58Å; F71-H82 AromaticContact CD1-ND1 3.89Å; F71-H82 AromaticContact CE1-CE1 3.55Å; F71-H82 AromaticContact CE1-ND1 3.53Å
72A88Confident91.2Very high35 Ų3567.3 Ų67.329%0.28937%0.371SS..SBendtrans-157.6162.5178.500000108.2E70 L74E70-A72 VanDerWaalsContact CB-O 3.25Å; E70-A72 WeakPolarHBondContact CB-O 3.44Å; E70-A72 PolarHBondContact O-N 2.9Å; A72-L74 HydrophobicContact CB-CD2 4.25Å; A72-L74 WeakPolarHBondContact O-CG 3.44Å; A72-L74 PolarHBondContact O-N 3.1Å
73P86.1Confident91.3Very high95 Ų9560.9 Ų60.962%0.61734%0.336SS*.  trans-68.598.317428.3-34.5000110.3F43 G75F43-P73 HydrophobicContact CD1-CB 4.01Å; F43-P73 HydrophobicContact CE1-CB 4.32Å; F43-P73 HydrophobicContact CG-CB 4.19Å; P73-G75 PolarHBondContact O-N 3.36Å
74L87.1Confident91.3Very high55 Ų5564.9 Ų64.929%0.28835%0.35SS..  trans-832.6-173.3-53.5179.5000113.8E70 F71 A72 G78 H82E70-L74 WeakPolarHBondContact OE1-CB 3.25Å; E70-L74 PolarHBondContact OE1-N 3.4Å; F71-L74 HydrophobicContact CD1-CD1 4.42Å; F71-L74 HydrophobicContact CD1-CD2 4.5Å; F71-L74 HydrophobicContact CE1-CD1 3.84Å; F71-L74 HydrophobicContact CE1-CD2 3.75Å; F71-L74 HydrophobicContact CE1-CG 4.35Å; F71-L74 HydrophobicContact CE2-CD2 3.99Å; F71-L74 HydrophobicContact CZ-CD1 4.39Å; F71-L74 HydrophobicContact CZ-CD2 3.47Å; F71-L74 VanDerWaalsContact CZ-CD2 3.47Å; A72-L74 HydrophobicContact CB-CD2 4.25Å; A72-L74 WeakPolarHBondContact O-CG 3.44Å; A72-L74 PolarHBondContact O-N 3.1Å; L74-G78 WeakPolarHBondContact O-CA 3.27Å; L74-H82 HydrophobicContact CD1-CB 4.03Å
75G83.9Confident91.3Very high52 Ų5267 Ų6754%0.53636%0.358SS..  trans77.8-178.6-174.900000112.9P73 G77 G78P73-G75 PolarHBondContact O-N 3.36Å; G75-G77 PolarHBondContact O-N 3.34Å; G75-G78 PolarHBondContact O-N 2.9Å
76T77.9Confident91.3Very high146 Ų14670.5 Ų70.590%0.89637%0.374SS*.THydrogen-bonded Turntrans-59.4-39.2-167.1-49.90000114.2
77G87.6Confident91.4Very high47 Ų4766.4 Ų66.449%0.48536%0.36SS..THydrogen-bonded Turntrans-95.9-11.9179.100000114.5G75 L80 Y81G75-G77 PolarHBondContact O-N 3.34Å; G77-L80 PolarHBondContact O-N 2.88Å; G77-Y81 PolarHBondContact O-N 3.04Å
78G91.8Very high91.5Very high19 Ų1969 Ų6920%0.19638%0.376CS..Hα-helixtrans-69.5-48.2-16900000112.9L74 G75 L80 Y81 H82L74-G78 WeakPolarHBondContact O-CA 3.27Å; G75-G78 PolarHBondContact O-N 2.9Å; G78-L80 PolarHBondContact O-N 3.02Å; G78-Y81 PolarHBondContact O-N 3.3Å; G78-H82 WeakPolarHBondContact O-CB 3.36Å; G78-H82 PolarHBondContact O-N 3.49Å
79G92.9Very high91.6Very high3 Ų371 Ų713%0.03140%0.395CS..Hα-helixtrans-60.9-41.5175.200000112.8E70 Y81 H82 F83E70-G79 WeakPolarHBondContact OE1-CA 3.38Å; E70-G79 PolarHBondContact OE1-N 3.45Å; G79-Y81 PolarHBondContact O-N 3.4Å; G79-H82 PolarHBondContact O-N 3.47Å; G79-F83 VanDerWaalsContact O-CD2 3.22Å; G79-F83 WeakPolarHBondContact O-CD2 3.38Å; G79-F83 PolarHBondContact O-N 3.35Å
80L93.8Very high91.6Very high60 Ų6070 Ų7031%0.31441%0.409SS..Hα-helixtrans-59.9-45.7175.8-66174.6000111.7I41 G77 G78 R84 I87 V97I41-L80 HydrophobicContact CD1-CD2 4.14Å; G77-L80 PolarHBondContact O-N 2.88Å; G78-L80 PolarHBondContact O-N 3.02Å; L80-R84 WeakPolarHBondContact O-CA 3.2Å; L80-R84 PolarHBondContact O-N 2.77Å; L80-I87 HydrophobicContact CD2-CD1 3.95Å; L80-V97 HydrophobicContact CD1-CG1 4.01Å; L80-V97 HydrophobicContact CD1-CG2 4.27Å; L80-V97 HydrophobicContact CD2-CG1 4.47Å; L80-V97 HydrophobicContact CD2-CG2 4.26Å
81Y94.9Very high91.7Very high167 Ų16773.5 Ų73.566%0.65544%0.44SS*.Hα-helixtrans-67.5-40.6177.6-178.1-96.7000112.3G77 G78 G79 R84G77-Y81 PolarHBondContact O-N 3.04Å; G78-Y81 PolarHBondContact O-N 3.3Å; G79-Y81 PolarHBondContact O-N 3.4Å; Y81-R84 WeakPolarHBondContact O-CD 3.44Å; Y81-R84 WeakPolarHBondContact O-CG 3.37Å; Y81-R84 PolarHBondContact O-NH1 3.06Å
82H96.2Very high91.9Very high86 Ų8667.9 Ų67.940%0.39842%0.419SS..Hα-helixtrans-60.4-46.3178.7-169119.8000111.1F71 L74 G78 G79F71-H82 AromaticContact CD1-CE1 3.58Å; F71-H82 AromaticContact CD1-ND1 3.89Å; F71-H82 AromaticContact CE1-CE1 3.55Å; F71-H82 AromaticContact CE1-ND1 3.53Å; L74-H82 HydrophobicContact CD1-CB 4.03Å; G78-H82 WeakPolarHBondContact O-CB 3.36Å; G78-H82 PolarHBondContact O-N 3.49Å; G79-H82 PolarHBondContact O-N 3.47Å
83F96.6Very high92.1Very high15 Ų1572.3 Ų72.37%0.06643%0.434CS..THydrogen-bonded Turntrans-97.312.1-175.2-62.1-62000114.1I41 L68 Q69 E70 G79 D85 Q86 I87I41-F83 HydrophobicContact CD1-CD2 4.3Å; I41-F83 HydrophobicContact CG1-CD2 4.4Å; I41-F83 HydrophobicContact CG2-CD2 3.79Å; I41-F83 HydrophobicContact CG2-CE2 3.9Å; L68-F83 HydrophobicContact CB-CD1 4.19Å; L68-F83 HydrophobicContact CB-CD2 3.89Å; L68-F83 HydrophobicContact CB-CE1 4.09Å; L68-F83 HydrophobicContact CB-CE2 3.79Å; L68-F83 HydrophobicContact CB-CG 4.1Å; L68-F83 HydrophobicContact CB-CZ 3.9Å; L68-F83 HydrophobicContact CD1-CB 3.75Å; L68-F83 HydrophobicContact CD1-CD1 3.98Å; L68-F83 HydrophobicContact CD1-CD2 4.15Å; L68-F83 HydrophobicContact CD1-CG 3.69Å; Q69-F83 WeakPolarHBondContact O-CZ 3.29Å; E70-F83 HydrophobicContact CG-CE2 4.13Å; G79-F83 VanDerWaalsContact O-CD2 3.22Å; G79-F83 WeakPolarHBondContact O-CD2 3.38Å; G79-F83 PolarHBondContact O-N 3.35Å; F83-D85 PolarHBondContact O-N 2.92Å; F83-D85 VanDerWaalsContact O-N 3.09Å; F83-Q86 WeakPolarHBondContact O-CA 3.42Å; F83-Q86 WeakPolarHBondContact O-CB 3.49Å; F83-Q86 PolarHBondContact O-N 3.15Å; F83-I87 HydrophobicContact CB-CD1 4.3Å; F83-I87 HydrophobicContact CB-CG1 4.48Å; F83-I87 WeakPolarHBondContact O-CG1 3.43Å; F83-I87 PolarHBondContact O-N 3.03Å
84R96.4Very high92.5Very high96 Ų9669.5 Ų69.536%0.36242%0.419SS..Hα-helixtrans-50.6-39.1-17672.3-170.4179.8-74.6-16.7113.8L80 Y81 Q86 I87 L88L80-R84 WeakPolarHBondContact O-CA 3.2Å; L80-R84 PolarHBondContact O-N 2.77Å; Y81-R84 WeakPolarHBondContact O-CD 3.44Å; Y81-R84 WeakPolarHBondContact O-CG 3.37Å; Y81-R84 PolarHBondContact O-NH1 3.06Å; R84-Q86 VanDerWaalsContact C-N 3.3Å; R84-Q86 PolarHBondContact O-N 2.97Å; R84-I87 PolarHBondContact O-N 3.43Å; R84-L88 WeakPolarHBondContact O-CB 3.49Å; R84-L88 VanDerWaalsContact O-CG 3.27Å; R84-L88 WeakPolarHBondContact O-CG 3.37Å; R84-L88 PolarHBondContact O-N 2.76Å
85D96.7Very high92.9Very high107 Ų10772.2 Ų72.257%0.57243%0.428SS*.Hα-helixtrans-71-30.5-177.9-58.5-31.8000111.3F83 A89F83-D85 PolarHBondContact O-N 2.92Å; F83-D85 VanDerWaalsContact O-N 3.09Å; D85-A89 PolarHBondContact O-N 2.85Å
86Q96.1Very high93.5Very high75 Ų7572.6 Ų72.635%0.3542%0.415SS..Hα-helixtrans-77.8-40.4173.7-61.9-176.846.500111.3L68 F83 R84 L88 A89L68-Q86 HydrophobicContact CD1-CB 4.5Å; L68-Q86 VanDerWaalsContact CD2-OE1 3.25Å; F83-Q86 WeakPolarHBondContact O-CA 3.42Å; F83-Q86 WeakPolarHBondContact O-CB 3.49Å; F83-Q86 PolarHBondContact O-N 3.15Å; R84-Q86 VanDerWaalsContact C-N 3.3Å; R84-Q86 PolarHBondContact O-N 2.97Å; Q86-L88 VanDerWaalsContact C-N 3.26Å; Q86-L88 PolarHBondContact O-N 3.26Å; Q86-A89 WeakPolarHBondContact O-CB 3.27Å; Q86-A89 PolarHBondContact O-N 3.18Å; Q86-A89 VanDerWaalsContact O-N 3.15Å
87I95.9Very high94.3Very high24 Ų2469.8 Ų69.812%0.12340%0.398CS..Hα-helixtrans-61.6-36.7176.2-65.4164.8000111L39 I41 L80 F83 R84 F95L39-I87 HydrophobicContact CD1-CB 4.42Å; L39-I87 HydrophobicContact CD1-CG1 3.83Å; I41-I87 HydrophobicContact CD1-CD1 4.06Å; L80-I87 HydrophobicContact CD2-CD1 3.95Å; F83-I87 HydrophobicContact CB-CD1 4.3Å; F83-I87 HydrophobicContact CB-CG1 4.48Å; F83-I87 WeakPolarHBondContact O-CG1 3.43Å; F83-I87 PolarHBondContact O-N 3.03Å; R84-I87 PolarHBondContact O-N 3.43Å; I87-F95 HydrophobicContact CG2-CD1 4.25Å; I87-F95 HydrophobicContact CG2-CD2 4.23Å; I87-F95 HydrophobicContact CG2-CG 4.1Å
88L95.6Very high94.5Very high98 Ų9870.2 Ų70.251%0.51339%0.389SS..THydrogen-bonded Turntrans-90.61.5179.1-62.4175.4000113.3R84 Q86 A91 F95R84-L88 WeakPolarHBondContact O-CB 3.49Å; R84-L88 VanDerWaalsContact O-CG 3.27Å; R84-L88 WeakPolarHBondContact O-CG 3.37Å; R84-L88 PolarHBondContact O-N 2.76Å; Q86-L88 VanDerWaalsContact C-N 3.26Å; Q86-L88 PolarHBondContact O-N 3.26Å; L88-A91 PolarHBondContact O-N 3.45Å; L88-A91 VanDerWaalsContact O-N 3.09Å; L88-F95 HydrophobicContact CD2-CE1 4.43Å
89A94.9Very high94.4Very high52 Ų5274 Ų7443%0.4340%0.404SS..THydrogen-bonded Turntrans-61.9139.7176.100000110D85 Q86 A91D85-A89 PolarHBondContact O-N 2.85Å; Q86-A89 WeakPolarHBondContact O-CB 3.27Å; Q86-A89 PolarHBondContact O-N 3.18Å; Q86-A89 VanDerWaalsContact O-N 3.15Å; A89-A91 PolarHBondContact O-N 2.87Å
90G91.3Very high94Very high69 Ų6975.4 Ų75.471%0.71142%0.416SS*.THydrogen-bonded Turntrans77.22.3-174.500000114.7
91A93.4Very high93.4Very high89 Ų8977.2 Ų77.274%0.73643%0.426SS*.  trans51.96117800000112.8L88 A89L88-A91 PolarHBondContact O-N 3.45Å; L88-A91 VanDerWaalsContact O-N 3.09Å; A89-A91 PolarHBondContact O-N 2.87Å
92P93.7Very high92.9Very high35 Ų3572.1 Ų72.123%0.22741%0.412CS..  trans-61.7144.5-179.528.3-35.4000110.9A94P92-A94 VanDerWaalsContact C-N 3.27Å; P92-A94 PolarHBondContact O-N 3.47Å
93E92.2Very high92.1Very high128 Ų12871.6 Ų71.660%0.59842%0.417SS*.SBendtrans-61.2-40173.4-177.9-167.8168.700111.2R116E93-R116 WeakPolarHBondContact OE1-CG 3.2Å; E93-R116 IonicContact OE1-CZ 3.88Å; E93-R116 IonicContact OE1-NE 3.52Å; E93-R116 PolarHBondContact OE1-NE 3.13Å; E93-R116 IonicContact OE1-NH2 3.87Å; E93-R116 IonicContact OE2-CZ 3.53Å; E93-R116 IonicContact OE2-NE 3.49Å; E93-R116 PolarHBondContact OE2-NE 3.01Å; E93-R116 IonicContact OE2-NH2 2.8Å; E93-R116 PolarHBondContact OE2-NH2 3.16Å
94A93.6Very high91.3Very high37 Ų3774.1 Ų74.131%0.30644%0.437SS..  trans-156.6162.3178.700000109.9P92 L112P92-A94 VanDerWaalsContact C-N 3.27Å; P92-A94 PolarHBondContact O-N 3.47Å; A94-L112 HydrophobicContact CB-CD1 4.41Å
95F95.6Very high90.7Very high112 Ų11277.1 Ų77.149%0.49146%0.46SS..  trans-136.1151.7170.363.5-88.4000110.3I87 L88 V97I87-F95 HydrophobicContact CG2-CD1 4.25Å; I87-F95 HydrophobicContact CG2-CD2 4.23Å; I87-F95 HydrophobicContact CG2-CG 4.1Å; L88-F95 HydrophobicContact CD2-CE1 4.43Å; F95-V97 HydrophobicContact CD2-CG2 3.78Å; F95-V97 HydrophobicContact CE2-CG2 3.52Å
96F95.7Very high90.2Very high59 Ų5973.7 Ų73.726%0.25944%0.44SS..  trans-95.7144.9172.5-63.9-82.7000110.2V32 M35 L108 M111 L112V32-F96 HydrophobicContact CG1-CE2 4.07Å; V32-F96 HydrophobicContact CG1-CZ 4.49Å; V32-F96 HydrophobicContact CG2-CE2 4.46Å; M35-F96 HydrophobicContact CE-CD2 3.94Å; M35-F96 HydrophobicContact CE-CE2 4.11Å; F96-L108 HydrophobicContact CD1-CD2 3.82Å; F96-L108 HydrophobicContact CE1-CB 4.27Å; F96-L108 HydrophobicContact CE1-CD2 3.99Å; F96-L108 HydrophobicContact CG-CD2 4.29Å; F96-L108 HydrophobicContact CZ-CB 4.17Å; F96-L108 WeakPolarHBondContact CZ-O 3.19Å; F96-M111 HydrophobicContact CE1-CB 4.19Å; F96-L112 HydrophobicContact CZ-CB 4.1Å
97V94.6Very high90.1Very high88 Ų8873 Ų7353%0.53344%0.442SS..  trans-117.2113.1168-178.70000107.3L80 F95L80-V97 HydrophobicContact CD1-CG1 4.01Å; L80-V97 HydrophobicContact CD1-CG2 4.27Å; L80-V97 HydrophobicContact CD2-CG1 4.47Å; L80-V97 HydrophobicContact CD2-CG2 4.26Å; F95-V97 HydrophobicContact CD2-CG2 3.78Å; F95-V97 HydrophobicContact CE2-CG2 3.52Å
98L92.8Very high90.1Very high55 Ų5572 Ų7229%0.28844%0.437SS..  trans-114.7138.9176.8-54.8179.4000108.7F106 L108L98-F106 HydrophobicContact CD2-CD1 4.28Å; L98-F106 HydrophobicContact CD2-CE1 4.28Å; L98-L108 HydrophobicContact CD1-CD1 4.4Å; L98-L108 HydrophobicContact CD2-CD2 4.11Å
99N88.9Confident90Very high98 Ų9869.5 Ų69.552%0.52443%0.428SS..  trans-83.2120.3169.4-175.23.8000108.5H25 D101 V102H25-N99 PolarHBondContact NE2-O 2.81Å; N99-D101 PolarHBondContact ND2-OD1 2.98Å; N99-D101 PolarHBondContact O-N 3.43Å; N99-D101 PolarHBondContact OD1-OD1 3.37Å; N99-D101 VanDerWaalsContact OD1-OD1 3.05Å; N99-V102 HydrophobicContact CB-CB 4.5Å; N99-V102 HydrophobicContact CB-CG2 3.89Å; N99-V102 PolarHBondContact O-N 3.19Å
100A84.9Confident90Very high34 Ų3470 Ų7028%0.28143%0.432SS..THydrogen-bonded Turntrans-61.2-17.1-173.100000114.2M21 I22 H25M21-A100 WeakPolarHBondContact CE-O 3.45Å; I22-A100 HydrophobicContact CD1-CB 4.07Å; H25-A100 PolarHBondContact CE1-O 3.35Å
101D81.4Confident90.1Very high97 Ų9768.1 Ų68.152%0.51941%0.405SS..THydrogen-bonded Turntrans-95.76.6176.572.70.8000115M21 N99M21-D101 HydrophobicContact CE-CB 4.26Å; N99-D101 PolarHBondContact ND2-OD1 2.98Å; N99-D101 PolarHBondContact O-N 3.43Å; N99-D101 PolarHBondContact OD1-OD1 3.37Å; N99-D101 VanDerWaalsContact OD1-OD1 3.05Å
102V83.6Confident90.2Very high61 Ų6164.5 Ų64.537%0.3737%0.373SS..  trans-102.2114.1175.9177.20000109.3H25 N99 F106H25-V102 PolarHBondContact CE1-O 3.26Å; H25-V102 PolarHBondContact NE2-O 3.33Å; N99-V102 HydrophobicContact CB-CB 4.5Å; N99-V102 HydrophobicContact CB-CG2 3.89Å; N99-V102 PolarHBondContact O-N 3.19Å; V102-F106 HydrophobicContact CB-CZ 4.46Å; V102-F106 HydrophobicContact CG1-CE1 4.34Å; V102-F106 HydrophobicContact CG1-CZ 4.07Å; V102-F106 WeakPolarHBondContact O-CZ 3.36Å
103C80.5Confident90.2Very high75 Ų7566.7 Ų66.751%0.50738%0.381SS..  trans-97.7122.4173.5-165.40000109.6
104S80.1Confident90.2Very high67 Ų6762.4 Ų62.447%0.46937%0.367SS..  trans-159157.1178.7-165.70000110.7F106S104-F106 VanDerWaalsContact C-N 3.27Å; S104-F106 WeakPolarHBondContact O-CD2 3.42Å; S104-F106 PolarHBondContact O-N 3.49Å
105D82.6Confident90.1Very high160 Ų16063.2 Ų63.286%0.85636%0.364SS*.  trans-73.485.1166.2-63.9-35.8000108.5P107D105-P107 VanDerWaalsContact O-CD 3.29Å; D105-P107 WeakPolarHBondContact O-CD 3.05Å
106F87.4Confident89.9Confident35 Ų3563 Ų6315%0.15436%0.36CS..  trans-72119.5-177.2-61.8-72.2000110.7H25 L98 V102 S104 L108 L125H25-F106 AromaticContact CD2-CE2 3.96Å; H25-F106 AromaticContact NE2-CE2 3.9Å; L98-F106 HydrophobicContact CD2-CD1 4.28Å; L98-F106 HydrophobicContact CD2-CE1 4.28Å; V102-F106 HydrophobicContact CB-CZ 4.46Å; V102-F106 HydrophobicContact CG1-CE1 4.34Å; V102-F106 HydrophobicContact CG1-CZ 4.07Å; V102-F106 WeakPolarHBondContact O-CZ 3.36Å; S104-F106 VanDerWaalsContact C-N 3.27Å; S104-F106 WeakPolarHBondContact O-CD2 3.42Å; S104-F106 PolarHBondContact O-N 3.49Å; F106-L108 HydrophobicContact CB-CD1 4.38Å; F106-L108 HydrophobicContact CB-CD2 3.76Å; F106-L108 HydrophobicContact CB-CG 3.69Å; F106-L108 HydrophobicContact CG-CD2 4.48Å; F106-L108 PolarHBondContact O-N 2.95Å; F106-L125 HydrophobicContact CD1-CD2 4.17Å
107P94.1Very high89.8Confident59 Ų5969.9 Ų69.938%0.38338%0.384SS..  trans-80.751.617835.7-36.6000111.2D105 S109 A110 M111 L125D105-P107 VanDerWaalsContact O-CD 3.29Å; D105-P107 WeakPolarHBondContact O-CD 3.05Å; P107-S109 VanDerWaalsContact C-N 3.34Å; P107-S109 PolarHBondContact O-N 3.05Å; P107-A110 HydrophobicContact CB-CB 4.28Å; P107-A110 WeakPolarHBondContact O-CB 3.28Å; P107-A110 PolarHBondContact O-N 3Å; P107-M111 HydrophobicContact CG-CG 4.32Å; P107-M111 HydrophobicContact CG-SD 4.44Å; P107-M111 WeakPolarHBondContact O-CG 3.48Å; P107-M111 PolarHBondContact O-N 2.98Å; P107-L125 HydrophobicContact CG-CD1 4.33Å; P107-L125 HydrophobicContact CG-CD2 4.49Å
108L95.2Very high89.3Confident3 Ų370.8 Ų70.82%0.01638%0.383CS..Hα-helixtrans-57.1-43.4-168.6-61.9179.8000112.8A28 V32 F96 L98 F106 A110 M111 L112A28-L108 HydrophobicContact CB-CD1 4.18Å; V32-L108 HydrophobicContact CG2-CB 3.43Å; V32-L108 VanDerWaalsContact CG2-CB 3.43Å; V32-L108 HydrophobicContact CG2-CD1 3.93Å; V32-L108 HydrophobicContact CG2-CG 4.33Å; F96-L108 HydrophobicContact CD1-CD2 3.82Å; F96-L108 HydrophobicContact CE1-CB 4.27Å; F96-L108 HydrophobicContact CE1-CD2 3.99Å; F96-L108 HydrophobicContact CG-CD2 4.29Å; F96-L108 HydrophobicContact CZ-CB 4.17Å; F96-L108 WeakPolarHBondContact CZ-O 3.19Å; L98-L108 HydrophobicContact CD1-CD1 4.4Å; L98-L108 HydrophobicContact CD2-CD2 4.11Å; F106-L108 HydrophobicContact CB-CD1 4.38Å; F106-L108 HydrophobicContact CB-CD2 3.76Å; F106-L108 HydrophobicContact CB-CG 3.69Å; F106-L108 HydrophobicContact CG-CD2 4.48Å; F106-L108 PolarHBondContact O-N 2.95Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-A110 PolarHBondContact O-N 3.16Å; L108-M111 WeakPolarHBondContact O-CB 3.28Å; L108-M111 PolarHBondContact O-N 3.37Å; L108-L112 PolarHBondContact O-N 3.02Å
109S94.4Very high88.4Confident47 Ų4780.1 Ų80.133%0.32941%0.414SS..Hα-helixtrans-63.5-40.3177.4-570000112P107 M111 L112 E113P107-S109 VanDerWaalsContact C-N 3.34Å; P107-S109 PolarHBondContact O-N 3.05Å; S109-M111 VanDerWaalsContact C-N 3.35Å; S109-L112 PolarHBondContact O-N 3.46Å; S109-E113 WeakPolarHBondContact O-CG 3.45Å; S109-E113 PolarHBondContact O-N 3.1Å; S109-E113 VanDerWaalsContact O-N 3.09Å
110A93.9Very high88.1Confident63 Ų6380.4 Ų80.452%0.52141%0.412SS..Hα-helixtrans-69-35.2175.800000111.8P107 L108 E113 A114P107-A110 HydrophobicContact CB-CB 4.28Å; P107-A110 WeakPolarHBondContact O-CB 3.28Å; P107-A110 PolarHBondContact O-N 3Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-A110 PolarHBondContact O-N 3.16Å; A110-E113 PolarHBondContact O-N 3.16Å; A110-A114 WeakPolarHBondContact O-CB 3.5Å; A110-A114 PolarHBondContact O-N 2.85Å
111M94.3Very high88.2Confident29 Ų2984.4 Ų84.414%0.14344%0.435CS..Hα-helixtrans-64.3-42.8173.9-71.2-179.768.700111.8F96 P107 L108 S109 A114 H115 L123 L125F96-M111 HydrophobicContact CE1-CB 4.19Å; P107-M111 HydrophobicContact CG-CG 4.32Å; P107-M111 HydrophobicContact CG-SD 4.44Å; P107-M111 WeakPolarHBondContact O-CG 3.48Å; P107-M111 PolarHBondContact O-N 2.98Å; L108-M111 WeakPolarHBondContact O-CB 3.28Å; L108-M111 PolarHBondContact O-N 3.37Å; S109-M111 VanDerWaalsContact C-N 3.35Å; M111-A114 PolarHBondContact O-N 3.37Å; M111-H115 WeakPolarHBondContact O-CB 3.35Å; M111-H115 PolarHBondContact O-N 2.87Å; M111-L123 HydrophobicContact CB-CD2 3.79Å; M111-L123 HydrophobicContact CE-CD2 4.1Å; M111-L123 HydrophobicContact CE-CG 4.26Å; M111-L123 HydrophobicContact CG-CD2 4.1Å; M111-L123 WeakPolarHBondContact O-CD2 3.49Å; M111-L125 HydrophobicContact CE-CB 3.89Å; M111-L125 HydrophobicContact SD-CB 4.02Å; M111-L125 HydrophobicContact SD-CD2 4.21Å
112L93.8Very high88.6Confident13 Ų1386.5 Ų86.57%0.06844%0.44CS..Hα-helixtrans-60.2-46.9175.2-176.457.3000111.2V32 A94 F96 L108 S109 A114 H115 R116V32-L112 HydrophobicContact CG1-CD2 3.83Å; A94-L112 HydrophobicContact CB-CD1 4.41Å; F96-L112 HydrophobicContact CZ-CB 4.1Å; L108-L112 PolarHBondContact O-N 3.02Å; S109-L112 PolarHBondContact O-N 3.46Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.34Å; L112-H115 PolarHBondContact O-N 3.47Å; L112-R116 WeakPolarHBondContact O-CG 3.35Å; L112-R116 PolarHBondContact O-N 3.47Å
113E93.8Very high89.1Confident81 Ų8187 Ų8738%0.37944%0.44SS..Hα-helixtrans-63-40177.6-72-58.1122.700112.3S109 A110 R116 R117S109-E113 WeakPolarHBondContact O-CG 3.45Å; S109-E113 PolarHBondContact O-N 3.1Å; S109-E113 VanDerWaalsContact O-N 3.09Å; A110-E113 PolarHBondContact O-N 3.16Å; E113-R116 PolarHBondContact O-N 2.84Å; E113-R116 IonicContact OE1-NH1 3.36Å; E113-R116 PolarHBondContact OE1-NH1 3.31Å; E113-R117 VanDerWaalsContact O-CG 3.25Å; E113-R117 WeakPolarHBondContact O-CG 3.29Å; E113-R117 PolarHBondContact O-N 3.43Å; E113-R117 VanDerWaalsContact O-N 3.1Å
114A93.3Very high89.6Confident37 Ų3789 Ų8931%0.30645%0.445SS..Hα-helixtrans-63.6-44.4174.500000111.8A110 M111 L112 R116 R117 Q118 L123A110-A114 WeakPolarHBondContact O-CB 3.5Å; A110-A114 PolarHBondContact O-N 2.85Å; M111-A114 PolarHBondContact O-N 3.37Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.34Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 2.81Å; A114-R117 PolarHBondContact O-N 3.18Å; A114-Q118 PolarHBondContact O-N 3.45Å; A114-Q118 VanDerWaalsContact O-N 3.09Å; A114-L123 HydrophobicContact CB-CD2 4.23Å
115H91.9Very high90.1Very high55 Ų5590.2 Ų90.226%0.25545%0.446SS..Hα-helixtrans-63-37.9176.8-176.468000112.4M111 L112 Q118 H120M111-H115 WeakPolarHBondContact O-CB 3.35Å; M111-H115 PolarHBondContact O-N 2.87Å; L112-H115 PolarHBondContact O-N 3.47Å; H115-Q118 CarbonylContact O-C 3.52Å; H115-H120 PolarHBondContact CE1-O 2.84Å; H115-H120 VanDerWaalsContact CE1-O 3.22Å
116R91.6Very high90.4Very high108 Ų10885.8 Ų85.841%0.40844%0.438SS..Hα-helixtrans-66.4-36.3174.9-77.1175.2169.9154.70.5113.2E93 L112 E113 A114E93-R116 WeakPolarHBondContact OE1-CG 3.2Å; E93-R116 IonicContact OE1-CZ 3.88Å; E93-R116 IonicContact OE1-NE 3.52Å; E93-R116 PolarHBondContact OE1-NE 3.13Å; E93-R116 IonicContact OE1-NH2 3.87Å; E93-R116 IonicContact OE2-CZ 3.53Å; E93-R116 IonicContact OE2-NE 3.49Å; E93-R116 PolarHBondContact OE2-NE 3.01Å; E93-R116 IonicContact OE2-NH2 2.8Å; E93-R116 PolarHBondContact OE2-NH2 3.16Å; L112-R116 WeakPolarHBondContact O-CG 3.35Å; L112-R116 PolarHBondContact O-N 3.47Å; E113-R116 PolarHBondContact O-N 2.84Å; E113-R116 IonicContact OE1-NH1 3.36Å; E113-R116 PolarHBondContact OE1-NH1 3.31Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 2.81Å
117R92.1Very high90.3Very high203 Ų20390.3 Ų90.377%0.76647%0.468SS*.Hα-helixtrans-73-33179.6-72.3171.6-171.7-168.93112.7E113 A114E113-R117 VanDerWaalsContact O-CG 3.25Å; E113-R117 WeakPolarHBondContact O-CG 3.29Å; E113-R117 PolarHBondContact O-N 3.43Å; E113-R117 VanDerWaalsContact O-N 3.1Å; A114-R117 PolarHBondContact O-N 3.18Å
118Q83.9Confident89.9Confident106 Ų10694 Ų9450%0.49549%0.49SS..SBendtrans-118.9118.1-175.5-61.3179.7-12.400109.9A114 H115 H120A114-Q118 PolarHBondContact O-N 3.45Å; A114-Q118 VanDerWaalsContact O-N 3.09Å; H115-Q118 CarbonylContact O-C 3.52Å; Q118-H120 VanDerWaalsContact CB-CD2 3.49Å; Q118-H120 WeakPolarHBondContact CB-CD2 3.39Å; Q118-H120 PolarHBondContact O-N 2.86Å; Q118-H120 PolarHBondContact OE1-CD2 3.47Å
119R74.6Confident89.3Confident251 Ų25196.4 Ų96.495%0.94751%0.51SS*.  trans-74.764.4177.3-66.9-165.7-177.8-165.51.4112
120H83.6Confident88.9Confident105 Ų10598.3 Ų98.349%0.48652%0.517SS..  trans-95.9145.8169-65.2-54.9000110H115 Q118 F122H115-H120 PolarHBondContact CE1-O 2.84Å; H115-H120 VanDerWaalsContact CE1-O 3.22Å; Q118-H120 VanDerWaalsContact CB-CD2 3.49Å; Q118-H120 WeakPolarHBondContact CB-CD2 3.39Å; Q118-H120 PolarHBondContact O-N 2.86Å; Q118-H120 PolarHBondContact OE1-CD2 3.47Å; H120-F122 PolarHBondContact O-N 3.07Å
121P86.4Confident88.3Confident117 Ų117105.7 Ų105.776%0.7653%0.531SS*.SBendtrans-67.4-21.2-178.926.5-33.8000113.1
122F90.3Very high87.7Confident142 Ų142109.3 Ų109.362%0.62356%0.555SS**  trans-154.5159.1176.457.5-92.3000110.8H120 L124H120-F122 PolarHBondContact O-N 3.07Å; F122-L124 HydrophobicContact CD2-CD1 4.28Å; F122-L124 HydrophobicContact CD2-CG 4.05Å; F122-L124 HydrophobicContact CE2-CD1 4.11Å; F122-L124 HydrophobicContact CE2-CG 4.36Å
123L92.3Very high87.1Confident72 Ų72113.1 Ų113.138%0.37757%0.573SS.*  trans-127.7132.3172.5178.268.6000108.2M111 A114M111-L123 HydrophobicContact CB-CD2 3.79Å; M111-L123 HydrophobicContact CE-CD2 4.1Å; M111-L123 HydrophobicContact CE-CG 4.26Å; M111-L123 HydrophobicContact CG-CD2 4.1Å; M111-L123 WeakPolarHBondContact O-CD2 3.49Å; A114-L123 HydrophobicContact CB-CD2 4.23Å
124L91.8Very high86.4Confident116 Ų116111 Ų11161%0.60757%0.567SS**  trans-114.2135.1178-66.2173.7000110.4F122 I140F122-L124 HydrophobicContact CD2-CD1 4.28Å; F122-L124 HydrophobicContact CD2-CG 4.05Å; F122-L124 HydrophobicContact CE2-CD1 4.11Å; F122-L124 HydrophobicContact CE2-CG 4.36Å; L124-I140 HydrophobicContact CD1-CD1 3.93Å
125L90.6Very high85.8Confident93 Ų93116 Ų11649%0.48759%0.588SS.*  trans-91.7117.2167.7-177.165.4000108.7F106 P107 M111F106-L125 HydrophobicContact CD1-CD2 4.17Å; P107-L125 HydrophobicContact CG-CD1 4.33Å; P107-L125 HydrophobicContact CG-CD2 4.49Å; M111-L125 HydrophobicContact CE-CB 3.89Å; M111-L125 HydrophobicContact SD-CB 4.02Å; M111-L125 HydrophobicContact SD-CD2 4.21Å
126G88.6Confident85.2Confident66 Ų66119.2 Ų119.268%0.6861%0.607SS**  trans-116.5155.3176.900000111.6
127T86.3Confident84.8Confident131 Ų131122.3 Ų122.380%0.80462%0.62SS**  trans-125.6155.6169.2-171.50000109.7A129T127-A129 PolarHBondContact O-N 3.41Å
128T85.6Confident84.2Confident136 Ų136116.7 Ų116.783%0.83463%0.625SS**  trans-69.4124176.153.10000109.7
129A82.8Confident84.1Confident54 Ų54115 Ų11545%0.44662%0.624SS.*  trans-112.3139.3176.300000110.2T127 Q133T127-A129 PolarHBondContact O-N 3.41Å; A129-Q133 HydrophobicContact CB-CB 3.95Å
130N85.8Confident84.5Confident87 Ų87107.6 Ų107.647%0.46560%0.602SS.*  trans-72.9168.2167.770.143.9000110.9T132 Q133 S134N130-T132 PolarHBondContact O-N 2.84Å; N130-T132 VanDerWaalsContact O-N 3.12Å; N130-T132 WeakPolarHBondContact OD1-CB 3.4Å; N130-T132 PolarHBondContact OD1-N 2.71Å; N130-Q133 VanDerWaalsContact CG-OE1 3.24Å; N130-Q133 PolarHBondContact ND2-OE1 3.11Å; N130-Q133 PolarHBondContact O-N 2.71Å; N130-Q133 WeakPolarHBondContact OD1-CG 3.28Å; N130-Q133 PolarHBondContact OD1-N 3.18Å; N130-S134 PolarHBondContact O-N 3.36Å
131R80.3Confident84.2Confident217 Ų217107.5 Ų107.582%0.81961%0.609SS**THydrogen-bonded Turntrans-57.7-29.6-176.6-171.7172.4-173.4148.52.9114.1S134 L135R131-S134 WeakPolarHBondContact CA-OG 3.47Å; R131-S134 PolarHBondContact O-OG 3.23Å; R131-L135 WeakPolarHBondContact O-CG 2.92Å
132T83.2Confident83.9Confident106 Ų106105.9 Ų105.965%0.6559%0.591SS**THydrogen-bonded Turntrans-78.8-37.6179-51.70000110.8N130 N136N130-T132 PolarHBondContact O-N 2.84Å; N130-T132 VanDerWaalsContact O-N 3.12Å; N130-T132 WeakPolarHBondContact OD1-CB 3.4Å; N130-T132 PolarHBondContact OD1-N 2.71Å; T132-N136 PolarHBondContact O-ND2 2.97Å
133Q81.4Confident83.2Confident92 Ų92102 Ų10243%0.4358%0.577SS.*THydrogen-bonded Turntrans-69.5-39.8175.8-70.9166.4-35.300111.6A129 N130 L135 N136 Y137A129-Q133 HydrophobicContact CB-CB 3.95Å; N130-Q133 VanDerWaalsContact CG-OE1 3.24Å; N130-Q133 PolarHBondContact ND2-OE1 3.11Å; N130-Q133 PolarHBondContact O-N 2.71Å; N130-Q133 WeakPolarHBondContact OD1-CG 3.28Å; N130-Q133 PolarHBondContact OD1-N 3.18Å; Q133-L135 PolarHBondContact O-N 3.44Å; Q133-N136 PolarHBondContact O-N 3.45Å; Q133-Y137 VanDerWaalsContact O-CD2 3.31Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.1Å
134S79Confident82.3Confident37 Ų37104 Ų10426%0.25959%0.594SS.*G310 helixtrans-58.8-23.5-178.868.10000113.4N130 R131 N136 C139N130-S134 PolarHBondContact O-N 3.36Å; R131-S134 WeakPolarHBondContact CA-OG 3.47Å; R131-S134 PolarHBondContact O-OG 3.23Å; S134-N136 PolarHBondContact O-N 3.41Å; S134-C139 VanDerWaalsContact CA-SG 3.6Å; S134-C139 WeakPolarHBondContact CB-SG 3.36Å; S134-C139 PolarHBondContact O-SG 3.46Å
135L80.3Confident81.2Confident143 Ų143106.8 Ų106.875%0.74960%0.604SS**G310 helixtrans-70-16177.2-64.9171000113.6R131 Q133R131-L135 WeakPolarHBondContact O-CG 2.92Å; Q133-L135 PolarHBondContact O-N 3.44Å
136N79.9Confident80.6Confident122 Ų122105.6 Ų105.665%0.65260%0.601SS**G310 helixtrans-106-5.9-174.7-61-63.8000113.9T132 Q133 S134T132-N136 PolarHBondContact O-ND2 2.97Å; Q133-N136 PolarHBondContact O-N 3.45Å; S134-N136 PolarHBondContact O-N 3.41Å
137Y82.1Confident79.9Confident173 Ų173108.7 Ų108.768%0.67860%0.597SS**SBendtrans-136.9161.6-172.3-58.5-76.5000111.8Q133 C139Q133-Y137 VanDerWaalsContact O-CD2 3.31Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.1Å; Y137-C139 PolarHBondContact O-N 3.39Å; Y137-C139 PolarHBondContact O-SG 3.15Å
138G79.9Confident79Confident84 Ų84108.5 Ų108.587%0.86659%0.587SS**  trans-61.7131.8165.900000110.2
139C81.8Confident77.9Confident71 Ų71108.3 Ų108.348%0.4858%0.575SS.*  trans-117.6133.6-177.5-66.40000110.4S134 Y137S134-C139 VanDerWaalsContact CA-SG 3.6Å; S134-C139 WeakPolarHBondContact CB-SG 3.36Å; S134-C139 PolarHBondContact O-SG 3.46Å; Y137-C139 PolarHBondContact O-N 3.39Å; Y137-C139 PolarHBondContact O-SG 3.15Å
140I82.3Confident76.5Confident95 Ų95113.4 Ų113.449%0.48760%0.603SS.*  trans-98.8120.5168.8-59.1170000106.4L124 K149L124-I140 HydrophobicContact CD1-CD1 3.93Å; I140-K149 HydrophobicContact CG2-CB 3.68Å; I140-K149 HydrophobicContact CG2-CD 4.15Å; I140-K149 HydrophobicContact CG2-CG 3.93Å
141V78.6Confident76Confident104 Ų104114.7 Ų114.763%0.6361%0.61SS**  trans-100.9106.7179.7-178.50000108.5P150V141-P150 WeakPolarHBondContact O-CD 3.43Å
142E79.7Confident75.8Confident82 Ų82109.3 Ų109.338%0.38360%0.599SS.*  trans-75.2130.8175-173.9171171.700110.7P144 H147 E148 K149E142-P144 WeakPolarHBondContact O-CD 3.4Å; E142-H147 IonicContact OE1-CE1 2.96Å; E142-H147 IonicContact OE1-CG 3.82Å; E142-H147 IonicContact OE1-ND1 3.27Å; E142-H147 PolarHBondContact OE1-ND1 3.36Å; E142-E148 WeakPolarHBondContact CA-O 3.47Å; E142-K149 HydrophobicContact CB-CG 4.1Å; E142-K149 VanDerWaalsContact CD-CE 3.44Å; E142-K149 HydrophobicContact CG-CG 4.11Å; E142-K149 WeakPolarHBondContact OE2-CE 3.46Å; E142-K149 IonicContact OE2-NZ 2.71Å
143N76.2Confident75.4Confident61 Ų61109.5 Ų109.533%0.32660%0.596SS.*  trans-68.8117.9169.7-178-26.7000108.8Q145 T146 H147 E148N143-Q145 PolarHBondContact O-N 2.89Å; N143-Q145 VanDerWaalsContact O-N 3.11Å; N143-Q145 PolarHBondContact OD1-N 3.32Å; N143-T146 VanDerWaalsContact CB-OG1 3.29Å; N143-T146 WeakPolarHBondContact CB-OG1 3.36Å; N143-T146 PolarHBondContact ND2-OG1 2.9Å; N143-T146 PolarHBondContact O-N 2.99Å; N143-T146 PolarHBondContact OD1-N 3.07Å; N143-H147 VanDerWaalsContact O-CA 3.28Å; N143-H147 WeakPolarHBondContact O-CA 3.47Å; N143-H147 PolarHBondContact O-N 3.06Å; N143-E148 PolarHBondContact N-O 3.18Å
144P71.8Confident75Confident113 Ų113110.5 Ų110.573%0.73461%0.606SS**THydrogen-bonded Turntrans-68.8-12.4-173.827-33.9000114.2E142E142-P144 WeakPolarHBondContact O-CD 3.4Å
145Q69.4Low74.8Confident175 Ų175115.1 Ų115.182%0.81863%0.628SS**THydrogen-bonded Turntrans-99-36.8178.5-63.7-176.7-1.200112.8N143N143-Q145 PolarHBondContact O-N 2.89Å; N143-Q145 VanDerWaalsContact O-N 3.11Å; N143-Q145 PolarHBondContact OD1-N 3.32Å
146T77.1Confident74.4Confident69 Ų69113.3 Ų113.342%0.42362%0.62SS.*THydrogen-bonded Turntrans-105.5-10.5-174.463.70000113.2N143 E148N143-T146 VanDerWaalsContact CB-OG1 3.29Å; N143-T146 WeakPolarHBondContact CB-OG1 3.36Å; N143-T146 PolarHBondContact ND2-OG1 2.9Å; N143-T146 PolarHBondContact O-N 2.99Å; N143-T146 PolarHBondContact OD1-N 3.07Å; T146-E148 PolarHBondContact O-N 3.02Å; T146-E148 VanDerWaalsContact O-N 3.07Å; T146-E148 WeakPolarHBondContact OG1-CB 3.45Å; T146-E148 WeakPolarHBondContact OG1-CG 3.31Å; T146-E148 PolarHBondContact OG1-N 3.12Å; T146-E148 PolarHBondContact OG1-OE2 2.89Å
147H74.3Confident74Confident131 Ų131112.6 Ų112.661%0.60662%0.617SS**  trans55.415.4-170.1-64.7-75.4000114E142 N143E142-H147 IonicContact OE1-CE1 2.96Å; E142-H147 IonicContact OE1-CG 3.82Å; E142-H147 IonicContact OE1-ND1 3.27Å; E142-H147 PolarHBondContact OE1-ND1 3.36Å; N143-H147 VanDerWaalsContact O-CA 3.28Å; N143-H147 WeakPolarHBondContact O-CA 3.47Å; N143-H147 PolarHBondContact O-N 3.06Å
148E68.6Low73.4Confident126 Ų126108 Ų10859%0.58961%0.612SS**  trans-72.1137.8174.5-70.6169.7149.700109.9E142 N143 T146E142-E148 WeakPolarHBondContact CA-O 3.47Å; N143-E148 PolarHBondContact N-O 3.18Å; T146-E148 PolarHBondContact O-N 3.02Å; T146-E148 VanDerWaalsContact O-N 3.07Å; T146-E148 WeakPolarHBondContact OG1-CB 3.45Å; T146-E148 WeakPolarHBondContact OG1-CG 3.31Å; T146-E148 PolarHBondContact OG1-N 3.12Å; T146-E148 PolarHBondContact OG1-OE2 2.89Å
149K62.8Low72.9Confident132 Ų132110 Ų11057%0.57459%0.591SS**  trans-115.4110.3176.9-67.8174.4-173.2-179.50106.7I140 E142I140-K149 HydrophobicContact CG2-CB 3.68Å; I140-K149 HydrophobicContact CG2-CD 4.15Å; I140-K149 HydrophobicContact CG2-CG 3.93Å; E142-K149 HydrophobicContact CB-CG 4.1Å; E142-K149 VanDerWaalsContact CD-CE 3.44Å; E142-K149 HydrophobicContact CG-CG 4.11Å; E142-K149 WeakPolarHBondContact OE2-CE 3.46Å; E142-K149 IonicContact OE2-NZ 2.71Å
150P51.9Low72Confident161 Ų161113.5 Ų113.5100%1.04560%0.601SS**  trans-69.10175.131.3-31.4000111.6V141V141-P150 WeakPolarHBondContact O-CD 3.43Å

Retrieved 150 of 150 residues in 54.5 ms (Link to these results)

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