C4QK17_SCHMA Loading...

SRPBCC family protein

AlphaFold DB , UniProt , Accession C4QK17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 86 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
1M49Very low49.1Very low208 Ų208113.3 Ų113.3100%1.02555%0.554SS**  0-21.70-67.8-61.9-167.600114.2F3M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 3.28Å
2E51.1Low49.9Very low113 Ų113109.5 Ų109.553%0.52854%0.538SS..Hα-helixtrans-69.1-14.6-172.9-137.7-167.2-165.600116.4R6 K76E2-R6 IonicContact OE2-CZ 3.92Å; E2-R6 IonicContact OE2-NH2 3.65Å; E2-R6 PolarHBondContact OE2-NH2 2.82Å; E2-K76 IonicContact OE1-NZ 3.39Å; E2-K76 PolarHBondContact OE1-NZ 3.03Å
3F43.3Very low50.3Low139 Ų139108.2 Ų108.261%0.6153%0.533SS*.Hα-helixtrans-75.3-41.1-178-166.7-104.9000112.3M1 G5 R6 Y7M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 3.28Å; F3-G5 PolarHBondContact O-N 2.95Å; F3-R6 PolarHBondContact O-N 3.3Å; F3-Y7 AromaticContact CD1-CD2 3.78Å; F3-Y7 HydrophobicContact CD1-CD2 3.78Å; F3-Y7 AromaticContact CD1-CE2 3.61Å; F3-Y7 HydrophobicContact CD1-CE2 3.61Å; F3-Y7 AromaticContact CD2-CE2 3.99Å; F3-Y7 HydrophobicContact CD2-CE2 3.99Å; F3-Y7 AromaticContact CE1-CD2 3.69Å; F3-Y7 HydrophobicContact CE1-CD2 3.69Å; F3-Y7 HydrophobicContact CE1-CE1 4.48Å; F3-Y7 AromaticContact CE1-CE2 3.08Å; F3-Y7 HydrophobicContact CE1-CE2 3.08Å; F3-Y7 AromaticContact CE1-CZ 3.52Å; F3-Y7 HydrophobicContact CE2-CD2 4.44Å; F3-Y7 AromaticContact CE2-CE2 3.52Å; F3-Y7 HydrophobicContact CE2-CE2 3.52Å; F3-Y7 HydrophobicContact CG-CD2 4.24Å; F3-Y7 HydrophobicContact CG-CE2 4.06Å; F3-Y7 HydrophobicContact CZ-CD2 4.07Å; F3-Y7 AromaticContact CZ-CE2 3.06Å; F3-Y7 HydrophobicContact CZ-CE2 3.06Å; F3-Y7 AromaticContact CZ-CZ 3.41Å; F3-Y7 VanDerWaalsContact CZ-CZ 3.41Å; F3-Y7 WeakPolarHBondContact CZ-OH 3.48Å; F3-Y7 WeakPolarHBondContact O-CD2 3.34Å; F3-Y7 PolarHBondContact O-N 2.64Å
4L49.8Very low51.1Low115 Ų115111.4 Ų111.460%0.60254%0.543SS*.Hα-helixtrans-61-44-176.2-88.1155.4000112.7R6 Y7 E8L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 2.6Å; L4-Y7 PolarHBondContact O-N 3.47Å; L4-Y7 VanDerWaalsContact O-N 3.08Å; L4-E8 PolarHBondContact O-N 2.86Å
5G43.8Very low52Low31 Ų31113.9 Ų113.932%0.3255%0.55SS..Hα-helixtrans-66.1-27.8-179.700000114.3F3 C9F3-G5 PolarHBondContact O-N 2.95Å; G5-C9 WeakPolarHBondContact O-CB 3.47Å; G5-C9 PolarHBondContact O-N 3.49Å
6R47.7Very low52.4Low154 Ų154114.5 Ų114.558%0.58155%0.545SS*.Hα-helixtrans-72-36173.1-60.6-173.3-151.4-155.45.2111.1E2 F3 L4 L10E2-R6 IonicContact OE2-CZ 3.92Å; E2-R6 IonicContact OE2-NH2 3.65Å; E2-R6 PolarHBondContact OE2-NH2 2.82Å; F3-R6 PolarHBondContact O-N 3.3Å; L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 2.6Å; R6-L10 WeakPolarHBondContact O-CG 3.42Å; R6-L10 PolarHBondContact O-N 3.46Å
7Y48.8Very low52.9Low124 Ų124118.8 Ų118.849%0.48655%0.554SS.*Hα-helixtrans-70-43.3178.3-87.4-102.2000112.1F3 L4 C9 L10 V11F3-Y7 AromaticContact CD1-CD2 3.78Å; F3-Y7 HydrophobicContact CD1-CD2 3.78Å; F3-Y7 AromaticContact CD1-CE2 3.61Å; F3-Y7 HydrophobicContact CD1-CE2 3.61Å; F3-Y7 AromaticContact CD2-CE2 3.99Å; F3-Y7 HydrophobicContact CD2-CE2 3.99Å; F3-Y7 AromaticContact CE1-CD2 3.69Å; F3-Y7 HydrophobicContact CE1-CD2 3.69Å; F3-Y7 HydrophobicContact CE1-CE1 4.48Å; F3-Y7 AromaticContact CE1-CE2 3.08Å; F3-Y7 HydrophobicContact CE1-CE2 3.08Å; F3-Y7 AromaticContact CE1-CZ 3.52Å; F3-Y7 HydrophobicContact CE2-CD2 4.44Å; F3-Y7 AromaticContact CE2-CE2 3.52Å; F3-Y7 HydrophobicContact CE2-CE2 3.52Å; F3-Y7 HydrophobicContact CG-CD2 4.24Å; F3-Y7 HydrophobicContact CG-CE2 4.06Å; F3-Y7 HydrophobicContact CZ-CD2 4.07Å; F3-Y7 AromaticContact CZ-CE2 3.06Å; F3-Y7 HydrophobicContact CZ-CE2 3.06Å; F3-Y7 AromaticContact CZ-CZ 3.41Å; F3-Y7 VanDerWaalsContact CZ-CZ 3.41Å; F3-Y7 WeakPolarHBondContact CZ-OH 3.48Å; F3-Y7 WeakPolarHBondContact O-CD2 3.34Å; F3-Y7 PolarHBondContact O-N 2.64Å; L4-Y7 PolarHBondContact O-N 3.47Å; L4-Y7 VanDerWaalsContact O-N 3.08Å; Y7-C9 VanDerWaalsContact C-N 3.33Å; Y7-C9 PolarHBondContact O-N 2.75Å; Y7-L10 PolarHBondContact O-N 2.91Å; Y7-V11 VanDerWaalsContact O-CG2 3.26Å; Y7-V11 WeakPolarHBondContact O-CG2 3.44Å; Y7-V11 PolarHBondContact O-N 2.88Å
8E48.4Very low53.2Low130 Ų130115.4 Ų115.461%0.60755%0.546SS*.Hα-helixtrans-58.3-46.4174.9-75.4-179.3158.800111.2L4 L10 V11 D12L4-E8 PolarHBondContact O-N 2.86Å; E8-L10 PolarHBondContact O-N 3.4Å; E8-V11 PolarHBondContact O-N 2.82Å; E8-V11 VanDerWaalsContact O-N 3.16Å; E8-D12 PolarHBondContact O-N 2.81Å
9C49.3Very low53.4Low30 Ų30112.7 Ų112.720%0.20354%0.538CS..Hα-helixtrans-59.1-43.6175.6-175.40000112.5G5 Y7 D12 I13 M72G5-C9 WeakPolarHBondContact O-CB 3.47Å; G5-C9 PolarHBondContact O-N 3.49Å; Y7-C9 VanDerWaalsContact C-N 3.33Å; Y7-C9 PolarHBondContact O-N 2.75Å; C9-D12 PolarHBondContact O-N 2.7Å; C9-I13 WeakPolarHBondContact O-CB 3.29Å; C9-I13 VanDerWaalsContact O-CG1 3.24Å; C9-I13 WeakPolarHBondContact O-CG1 3.47Å; C9-I13 PolarHBondContact O-N 2.55Å; C9-M72 HydrophobicContact CB-CE 4.38Å
10L53.1Low53.5Low111 Ų111110 Ų11058%0.58153%0.526SS*.Hα-helixtrans-66.6-36.2176.6-74.7172.3000112.6R6 Y7 E8 K14R6-L10 WeakPolarHBondContact O-CG 3.42Å; R6-L10 PolarHBondContact O-N 3.46Å; Y7-L10 PolarHBondContact O-N 2.91Å; E8-L10 PolarHBondContact O-N 3.4Å; L10-K14 WeakPolarHBondContact O-CB 3.43Å; L10-K14 PolarHBondContact O-N 3.11Å
11V56Low53.6Low91 Ų91111.6 Ų111.655%0.55253%0.531SS*.Hα-helixtrans-65.4-43.9175.8170.20000110.3Y7 E8 K14 K15Y7-V11 VanDerWaalsContact O-CG2 3.26Å; Y7-V11 WeakPolarHBondContact O-CG2 3.44Å; Y7-V11 PolarHBondContact O-N 2.88Å; E8-V11 PolarHBondContact O-N 2.82Å; E8-V11 VanDerWaalsContact O-N 3.16Å; V11-K14 PolarHBondContact O-N 2.93Å; V11-K15 WeakPolarHBondContact O-CB 3.47Å; V11-K15 PolarHBondContact O-N 3.28Å
12D58.1Low53.9Low68 Ų68107.8 Ų107.836%0.36451%0.511SS..Hα-helixtrans-63.2-46.3176.8-75.8-24000111.8E8 C9 K14 K15 W16 Y68E8-D12 PolarHBondContact O-N 2.81Å; C9-D12 PolarHBondContact O-N 2.7Å; D12-K14 VanDerWaalsContact C-N 3.3Å; D12-K14 PolarHBondContact O-N 3.34Å; D12-K15 PolarHBondContact O-N 2.74Å; D12-W16 WeakPolarHBondContact O-CB 3.26Å; D12-W16 PolarHBondContact O-N 2.98Å; D12-Y68 PolarHBondContact OD2-OH 3.41Å
13I56Low54Low93 Ų93107.6 Ų107.648%0.47751%0.513SS..Hα-helixtrans-62.5-40176.7-68.1167.9000110.5C9 W16 R17C9-I13 WeakPolarHBondContact O-CB 3.29Å; C9-I13 VanDerWaalsContact O-CG1 3.24Å; C9-I13 WeakPolarHBondContact O-CG1 3.47Å; C9-I13 PolarHBondContact O-N 2.55Å; I13-W16 PolarHBondContact O-N 2.87Å; I13-R17 WeakPolarHBondContact O-CB 3.32Å; I13-R17 PolarHBondContact O-N 3.5Å
14K60.8Low54.4Low153 Ų153106.4 Ų106.467%0.66551%0.513SS*.Hα-helixtrans-66.2-43177.5-169177.2-178.2-177.30111.3L10 V11 D12 R17 S18L10-K14 WeakPolarHBondContact O-CB 3.43Å; L10-K14 PolarHBondContact O-N 3.11Å; V11-K14 PolarHBondContact O-N 2.93Å; D12-K14 VanDerWaalsContact C-N 3.3Å; D12-K14 PolarHBondContact O-N 3.34Å; K14-R17 PolarHBondContact O-N 2.73Å; K14-S18 PolarHBondContact O-N 3.27Å; K14-S18 PolarHBondContact O-OG 3.47Å
15K64.7Low54.4Low148 Ų148103.6 Ų103.664%0.64350%0.503SS*.Hα-helixtrans-61.7-45.3175.3-171.5176.7-179.4-179.30110.8V11 D12 R17 S18 T19V11-K15 WeakPolarHBondContact O-CB 3.47Å; V11-K15 PolarHBondContact O-N 3.28Å; D12-K15 PolarHBondContact O-N 2.74Å; K15-R17 PolarHBondContact O-N 2.61Å; K15-S18 WeakPolarHBondContact O-CB 3.47Å; K15-S18 PolarHBondContact O-N 2.78Å; K15-T19 PolarHBondContact O-N 2.86Å; K15-T19 PolarHBondContact O-OG1 2.86Å; K15-T19 VanDerWaalsContact O-OG1 3.14Å
16W58.4Low54.5Low124 Ų124110.3 Ų110.347%0.4752%0.519SS..Hα-helixtrans-62.1-43.8177-170.878.6000112.5D12 I13 S18 T19 L20 I61 L65D12-W16 WeakPolarHBondContact O-CB 3.26Å; D12-W16 PolarHBondContact O-N 2.98Å; I13-W16 PolarHBondContact O-N 2.87Å; W16-S18 VanDerWaalsContact C-N 3.33Å; W16-S18 PolarHBondContact O-N 3.3Å; W16-T19 PolarHBondContact O-N 3.41Å; W16-L20 HydrophobicContact CD2-CD1 3.98Å; W16-L20 HydrophobicContact CE3-CD1 3.63Å; W16-L20 HydrophobicContact CH2-CD1 3.29Å; W16-L20 HydrophobicContact CH2-CG 4.4Å; W16-L20 HydrophobicContact CZ2-CD1 3.6Å; W16-L20 HydrophobicContact CZ2-CG 4.26Å; W16-L20 HydrophobicContact CZ3-CD1 3.29Å; W16-L20 PolarHBondContact O-N 2.65Å; W16-I61 HydrophobicContact CH2-CG2 4.19Å; W16-I61 HydrophobicContact CZ2-CG2 3.52Å; W16-L65 HydrophobicContact CH2-CD1 4.46Å; W16-L65 HydrophobicContact CZ2-CD1 4.41Å
17R60.6Low54.5Low187 Ų187107.2 Ų107.271%0.70652%0.518SS*.Hα-helixtrans-61.5-40.2173.2-179-176.2-93.5-171.4-4.7111.7I13 K14 K15 L20 K21I13-R17 WeakPolarHBondContact O-CB 3.32Å; I13-R17 PolarHBondContact O-N 3.5Å; K14-R17 PolarHBondContact O-N 2.73Å; K15-R17 PolarHBondContact O-N 2.61Å; R17-L20 PolarHBondContact O-N 2.9Å; R17-K21 WeakPolarHBondContact O-CB 3.32Å; R17-K21 PolarHBondContact O-N 3.16Å
18S58Low54.5Low59 Ų59110.1 Ų110.141%0.41353%0.533SS..Hα-helixtrans-63.9-46.5175.8-70.90000111.7K14 K15 W16 L20 K21 E22K14-S18 PolarHBondContact O-N 3.27Å; K14-S18 PolarHBondContact O-OG 3.47Å; K15-S18 WeakPolarHBondContact O-CB 3.47Å; K15-S18 PolarHBondContact O-N 2.78Å; W16-S18 VanDerWaalsContact C-N 3.33Å; W16-S18 PolarHBondContact O-N 3.3Å; S18-L20 VanDerWaalsContact C-N 3.31Å; S18-L20 PolarHBondContact O-N 3.28Å; S18-K21 CarbonylContact O-C 3.58Å; S18-K21 PolarHBondContact O-N 2.74Å; S18-K21 VanDerWaalsContact O-N 3.1Å; S18-E22 WeakPolarHBondContact O-CB 3.32Å; S18-E22 WeakPolarHBondContact O-CG 3.3Å; S18-E22 PolarHBondContact O-N 3.5Å
19T58.4Low54.3Low64 Ų64107.2 Ų107.239%0.39354%0.538SS..Hα-helixtrans-60.9-39.9176.4-55.70000111.9K15 W16 E22 N23K15-T19 PolarHBondContact O-N 2.86Å; K15-T19 PolarHBondContact O-OG1 2.86Å; K15-T19 VanDerWaalsContact O-OG1 3.14Å; W16-T19 PolarHBondContact O-N 3.41Å; T19-E22 PolarHBondContact O-N 3.23Å; T19-N23 WeakPolarHBondContact O-CB 3.46Å; T19-N23 PolarHBondContact O-N 3.07Å; T19-N23 PolarHBondContact O-ND2 2.79Å
20L54Low53.9Low57 Ų57112.1 Ų112.130%0.29856%0.555SS.*Hα-helixtrans-63.4-43.9172.4-84.4175.9000112.5W16 R17 S18 E22 N23 L24W16-L20 HydrophobicContact CD2-CD1 3.98Å; W16-L20 HydrophobicContact CE3-CD1 3.63Å; W16-L20 HydrophobicContact CH2-CD1 3.29Å; W16-L20 HydrophobicContact CH2-CG 4.4Å; W16-L20 HydrophobicContact CZ2-CD1 3.6Å; W16-L20 HydrophobicContact CZ2-CG 4.26Å; W16-L20 HydrophobicContact CZ3-CD1 3.29Å; W16-L20 PolarHBondContact O-N 2.65Å; R17-L20 PolarHBondContact O-N 2.9Å; S18-L20 VanDerWaalsContact C-N 3.31Å; S18-L20 PolarHBondContact O-N 3.28Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-N23 PolarHBondContact O-N 3.32Å; L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.91Å
21K56.3Low53.3Low144 Ų144115.4 Ų115.463%0.62657%0.568SS**Hα-helixtrans-64.5-39.3177.7-170.1-179.3179.1-1740110.9R17 S18 L24 S25R17-K21 WeakPolarHBondContact O-CB 3.32Å; R17-K21 PolarHBondContact O-N 3.16Å; S18-K21 CarbonylContact O-C 3.58Å; S18-K21 PolarHBondContact O-N 2.74Å; S18-K21 VanDerWaalsContact O-N 3.1Å; K21-L24 CarbonylContact O-C 3.55Å; K21-L24 PolarHBondContact O-N 2.87Å; K21-S25 VanDerWaalsContact O-CB 3.25Å; K21-S25 WeakPolarHBondContact O-CB 3.34Å; K21-S25 PolarHBondContact O-N 3.29Å; K21-S25 PolarHBondContact O-OG 3.03Å
22E55.8Low52.8Low129 Ų129115.9 Ų115.960%0.60357%0.566SS**Hα-helixtrans-63.2-46.4174.8-79.1176.7170.700111.1S18 T19 L20 L24 S25 Y26S18-E22 WeakPolarHBondContact O-CB 3.32Å; S18-E22 WeakPolarHBondContact O-CG 3.3Å; S18-E22 PolarHBondContact O-N 3.5Å; T19-E22 PolarHBondContact O-N 3.23Å; L20-E22 VanDerWaalsContact C-N 3.33Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3.37Å; E22-S25 CarbonylContact O-C 3.55Å; E22-S25 PolarHBondContact O-N 3.44Å; E22-Y26 WeakPolarHBondContact O-CB 3.44Å; E22-Y26 PolarHBondContact O-N 2.63Å
23N52.7Low52.1Low108 Ų108120.4 Ų120.458%0.57859%0.585SS**Hα-helixtrans-60.4-39.8174.9-74.8-21.6000112.2T19 L20 T27T19-N23 WeakPolarHBondContact O-CB 3.46Å; T19-N23 PolarHBondContact O-N 3.07Å; T19-N23 PolarHBondContact O-ND2 2.79Å; L20-N23 PolarHBondContact O-N 3.32Å; N23-T27 PolarHBondContact O-N 3.5Å
24L52.7Low51.5Low114 Ų114122.4 Ų122.460%0.59760%0.595SS**Hα-helixtrans-70.8-29.4173.3-80.6160.3000113.2L20 K21 E22 T27 K28L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.91Å; K21-L24 CarbonylContact O-C 3.55Å; K21-L24 PolarHBondContact O-N 2.87Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3.37Å; L24-T27 VanDerWaalsContact C-OG1 3.24Å; L24-T27 WeakPolarHBondContact CA-OG1 3.43Å; L24-T27 PolarHBondContact O-N 3.07Å; L24-T27 PolarHBondContact O-OG1 2.8Å; L24-K28 PolarHBondContact O-N 2.86Å
25S49.5Very low50.7Low56 Ų56120.2 Ų120.239%0.39260%0.595SS.*Hα-helixtrans-78.9-30.3178-56.50000110.9K21 E22 T27 K28 G29K21-S25 VanDerWaalsContact O-CB 3.25Å; K21-S25 WeakPolarHBondContact O-CB 3.34Å; K21-S25 PolarHBondContact O-N 3.29Å; K21-S25 PolarHBondContact O-OG 3.03Å; E22-S25 CarbonylContact O-C 3.55Å; E22-S25 PolarHBondContact O-N 3.44Å; S25-T27 PolarHBondContact O-N 3.22Å; S25-K28 WeakPolarHBondContact O-CA 3.43Å; S25-K28 PolarHBondContact O-N 3.35Å; S25-G29 PolarHBondContact O-N 3.43Å
26Y46.2Very low49.9Very low172 Ų172118.2 Ų118.268%0.67560%0.597SS**Hα-helixtrans-61.7-28.9171-141.6-90000111.4E22E22-Y26 WeakPolarHBondContact O-CB 3.44Å; E22-Y26 PolarHBondContact O-N 2.63Å
27T47.3Very low49.2Very low89 Ų89119.1 Ų119.155%0.54661%0.61SS.*Hα-helixtrans-79.7-17.5168.842.50000114.7N23 L24 S25N23-T27 PolarHBondContact O-N 3.5Å; L24-T27 VanDerWaalsContact C-OG1 3.24Å; L24-T27 WeakPolarHBondContact CA-OG1 3.43Å; L24-T27 PolarHBondContact O-N 3.07Å; L24-T27 PolarHBondContact O-OG1 2.8Å; S25-T27 PolarHBondContact O-N 3.22Å
28K48.7Very low48.4Very low186 Ų186116.1 Ų116.181%0.80961%0.608SS**Hα-helixtrans-89.1-23.8177.7-80.1-170.5172.4-172.20114.4L24 S25L24-K28 PolarHBondContact O-N 2.86Å; S25-K28 WeakPolarHBondContact O-CA 3.43Å; S25-K28 PolarHBondContact O-N 3.35Å
29G42.9Very low47.7Very low68 Ų68121.4 Ų121.470%0.70163%0.631SS**Hα-helixtrans-99.9-17.6-173.400000115.3S25 E31S25-G29 PolarHBondContact O-N 3.43Å; G29-E31 PolarHBondContact O-N 3.44Å
30K42Very low46.8Very low133 Ų133123.9 Ų123.958%0.57864%0.64SS**SBendtrans-74.8110.2157.8-73.5-174.3179.1-177.80105I32K30-I32 HydrophobicContact CB-CG1 3.76Å; K30-I32 PolarHBondContact O-N 3.33Å
31E40.6Very low46.4Very low180 Ų180130 Ų13084%0.84167%0.667SS**  trans-53.472.3142.7-73.7177.8155.700106.6G29 H33G29-E31 PolarHBondContact O-N 3.44Å; E31-H33 PolarHBondContact O-N 3.43Å
32I45.7Very low46Very low102 Ų102127.8 Ų127.852%0.52367%0.666SS.*  trans-58.9103.5150.9-57.9177.300098.9K30 I34K30-I32 HydrophobicContact CB-CG1 3.76Å; K30-I32 PolarHBondContact O-N 3.33Å; I32-I34 HydrophobicContact CB-CG1 4.39Å; I32-I34 HydrophobicContact CG2-CG1 4.12Å; I32-I34 PolarHBondContact O-N 3.39Å
33H42.1Very low45.6Very low163 Ų163126.5 Ų126.576%0.75567%0.672SS**  trans-46.586.9147.1-82.2-81000104.3E31 T35E31-H33 PolarHBondContact O-N 3.43Å; H33-T35 PolarHBondContact O-N 3Å; H33-T35 PolarHBondContact O-OG1 3Å
34I44.2Very low45.7Very low135 Ų135128.7 Ų128.769%0.69268%0.678SS**  trans-6581.8153.3-55.6167.900098.9I32 P36I32-I34 HydrophobicContact CB-CG1 4.39Å; I32-I34 HydrophobicContact CG2-CG1 4.12Å; I32-I34 PolarHBondContact O-N 3.39Å; I34-P36 VanDerWaalsContact C-N 3.25Å; I34-P36 VanDerWaalsContact O-CD 3.26Å; I34-P36 WeakPolarHBondContact O-CD 3.42Å
35T43.8Very low45.7Very low106 Ų106128.1 Ų128.165%0.6568%0.68SS**  trans-38113.5141.310.40000101.4H33 L37H33-T35 PolarHBondContact O-N 3Å; H33-T35 PolarHBondContact O-OG1 3Å; T35-L37 WeakPolarHBondContact O-CA 3.47Å; T35-L37 PolarHBondContact O-N 2.97Å
36P48Very low46.2Very low106 Ų106128.7 Ų128.769%0.68868%0.681SS**  trans-54.498.8177.119.4-28.2000102.1I34 N38I34-P36 VanDerWaalsContact C-N 3.25Å; I34-P36 VanDerWaalsContact O-CD 3.26Å; I34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-N38 WeakPolarHBondContact O-CA 3.5Å; P36-N38 PolarHBondContact O-N 3.31Å
37L44.1Very low46.9Very low143 Ų143125.3 Ų125.375%0.74968%0.678SS**  trans-66.2103-169.8-177.7139.900097.8T35 L39T35-L37 WeakPolarHBondContact O-CA 3.47Å; T35-L37 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 2.93Å
38N42.6Very low48.1Very low125 Ų125123.4 Ų123.467%0.66867%0.672SS**  trans-39.7114.9-165.9-84.7-43.4000102.7P36 I40P36-N38 WeakPolarHBondContact O-CA 3.5Å; P36-N38 PolarHBondContact O-N 3.31Å; N38-I40 HydrophobicContact CB-CD1 4.12Å; N38-I40 HydrophobicContact CB-CG1 3.72Å; N38-I40 WeakPolarHBondContact O-CB 3.44Å; N38-I40 WeakPolarHBondContact O-CG1 3.49Å; N38-I40 PolarHBondContact O-N 3.37Å
39L43.3Very low49.1Very low170 Ų170120.8 Ų120.889%0.8966%0.66SS**  trans-68.553.5170-80.9155.8000104.6L37 Q41L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 2.93Å; L39-Q41 PolarHBondContact O-N 3.46Å
40I41.1Very low50.4Low115 Ų115123.4 Ų123.459%0.5965%0.652SS**  trans-36.199.4130.4-52.8169.2000101.6N38 T42N38-I40 HydrophobicContact CB-CD1 4.12Å; N38-I40 HydrophobicContact CB-CG1 3.72Å; N38-I40 WeakPolarHBondContact O-CB 3.44Å; N38-I40 WeakPolarHBondContact O-CG1 3.49Å; N38-I40 PolarHBondContact O-N 3.37Å; I40-T42 HydrophobicContact CB-CG2 4.15Å; I40-T42 HydrophobicContact CG2-CG2 3.64Å; I40-T42 PolarHBondContact O-N 2.95Å; I40-T42 PolarHBondContact O-OG1 2.75Å
41Q45.2Very low51.8Low185 Ų185122.9 Ų122.986%0.86465%0.652SS**  trans-52.873.9157.2-69.5168.7-4300104.8L39 S43L39-Q41 PolarHBondContact O-N 3.46Å; Q41-S43 VanDerWaalsContact C-N 3.26Å; Q41-S43 PolarHBondContact O-N 3.43Å
42T47.4Very low53.3Low99 Ų99119.6 Ų119.661%0.60764%0.64SS**  trans-66.8104169.932.60000101.2I40 E44I40-T42 HydrophobicContact CB-CG2 4.15Å; I40-T42 HydrophobicContact CG2-CG2 3.64Å; I40-T42 PolarHBondContact O-N 2.95Å; I40-T42 PolarHBondContact O-OG1 2.75Å; T42-E44 PolarHBondContact O-N 3.36Å
43S48.3Very low54.5Low102 Ų102119.5 Ų119.571%0.71365%0.645SS**THydrogen-bonded Turntrans-43.9128.9-170.960.40000109.6Q41 V45Q41-S43 VanDerWaalsContact C-N 3.26Å; Q41-S43 PolarHBondContact O-N 3.43Å; S43-V45 PolarHBondContact O-N 3.04Å
44E53.5Low55.8Low154 Ų154115.6 Ų115.672%0.7263%0.629SS**THydrogen-bonded Turntrans59.257.5158.1-58.8179.9168.900115.1T42 T46T42-E44 PolarHBondContact O-N 3.36Å; E44-T46 HydrophobicContact CB-CG2 4.3Å; E44-T46 PolarHBondContact O-N 3.37Å
45V54Low57.1Low102 Ų102112 Ų11262%0.61862%0.619SS**  trans-66.179.1135.9-175.50000105.5S43 T47 K49S43-V45 PolarHBondContact O-N 3.04Å; V45-T47 PolarHBondContact O-N 2.88Å; V45-K49 HydrophobicContact CG1-CB 4.26Å
46T59Low58.3Low68 Ų68109.4 Ų109.442%0.41761%0.614SS.*  trans-52.5142.217230.20000107.4E44 A48 K49E44-T46 HydrophobicContact CB-CG2 4.3Å; E44-T46 PolarHBondContact O-N 3.37Å; T46-A48 CarbonylContact O-C 3.57Å; T46-A48 PolarHBondContact O-N 2.62Å; T46-K49 PolarHBondContact O-N 2.78Å
47T62.2Low59.5Low100 Ų100111 Ų11161%0.61361%0.61SS**Hα-helixtrans-44.2-30.8173.1-51.20000111.9V45 F50 Q51V45-T47 PolarHBondContact O-N 2.88Å; T47-F50 PolarHBondContact O-N 3.45Å; T47-Q51 HydrophobicContact CG2-CG 4.4Å; T47-Q51 WeakPolarHBondContact O-CB 3.25Å; T47-Q51 VanDerWaalsContact O-CG 3.29Å; T47-Q51 WeakPolarHBondContact O-CG 3.48Å; T47-Q51 PolarHBondContact O-N 3.16Å
48A71.5Confident61Low50 Ų50106.9 Ų106.941%0.41359%0.591SS.*Hα-helixtrans-54.8-53.9171.200000114.2T46 F50 Q51 D52T46-A48 CarbonylContact O-C 3.57Å; T46-A48 PolarHBondContact O-N 2.62Å; A48-F50 VanDerWaalsContact C-N 3.27Å; A48-F50 PolarHBondContact O-N 3.39Å; A48-Q51 CarbonylContact O-C 3.56Å; A48-Q51 WeakPolarHBondContact O-CB 3.46Å; A48-Q51 PolarHBondContact O-N 2.96Å; A48-Q51 VanDerWaalsContact O-N 3.11Å; A48-D52 PolarHBondContact O-N 3.1Å
49K69.1Low62.7Low130 Ų130102.6 Ų102.657%0.56558%0.576SS**Hα-helixtrans-61.1-37.3179.6-85.5-174.9177.5173.10112.5V45 T46 T53V45-K49 HydrophobicContact CG1-CB 4.26Å; T46-K49 PolarHBondContact O-N 2.78Å; K49-T53 WeakPolarHBondContact O-CB 3.48Å; K49-T53 PolarHBondContact O-N 3.36Å; K49-T53 PolarHBondContact O-OG1 3.03Å
50F71.3Confident64.3Low124 Ų12497.7 Ų97.754%0.54455%0.554SS.*Hα-helixtrans-67.4-43.1176.1-176.9-105.2000111.2T47 A48 T53 L54T47-F50 PolarHBondContact O-N 3.45Å; A48-F50 VanDerWaalsContact C-N 3.27Å; A48-F50 PolarHBondContact O-N 3.39Å; F50-T53 PolarHBondContact O-N 3.48Å; F50-L54 HydrophobicContact CD1-CD1 3.82Å; F50-L54 HydrophobicContact CD1-CG 4.42Å; F50-L54 HydrophobicContact CE1-CD1 3.3Å; F50-L54 HydrophobicContact CE1-CG 4.06Å; F50-L54 HydrophobicContact CZ-CD1 3.76Å; F50-L54 HydrophobicContact CZ-CD2 4.45Å; F50-L54 HydrophobicContact CZ-CG 4.12Å; F50-L54 WeakPolarHBondContact O-CG 3.43Å; F50-L54 PolarHBondContact O-N 2.96Å
51Q71.6Confident66Low121 Ų12194.6 Ų94.657%0.56554%0.539SS*.Hα-helixtrans-62-42174.1-75.7179.4-13.700112.2T47 A48 T53 L54 A55T47-Q51 HydrophobicContact CG2-CG 4.4Å; T47-Q51 WeakPolarHBondContact O-CB 3.25Å; T47-Q51 VanDerWaalsContact O-CG 3.29Å; T47-Q51 WeakPolarHBondContact O-CG 3.48Å; T47-Q51 PolarHBondContact O-N 3.16Å; A48-Q51 CarbonylContact O-C 3.56Å; A48-Q51 WeakPolarHBondContact O-CB 3.46Å; A48-Q51 PolarHBondContact O-N 2.96Å; A48-Q51 VanDerWaalsContact O-N 3.11Å; Q51-T53 PolarHBondContact O-N 3.44Å; Q51-L54 PolarHBondContact O-N 2.85Å; Q51-A55 VanDerWaalsContact O-CB 3.32Å; Q51-A55 WeakPolarHBondContact O-CB 3.49Å; Q51-A55 PolarHBondContact O-N 2.96Å
52D71Confident67.4Low111 Ų11191 Ų9159%0.59452%0.524SS*.Hα-helixtrans-63.1-42.4176-70.9-25.9000111.5A48 L54 A55 G56A48-D52 PolarHBondContact O-N 3.1Å; D52-L54 PolarHBondContact O-N 2.89Å; D52-A55 PolarHBondContact O-N 3.34Å; D52-G56 PolarHBondContact O-N 3.38Å
53T70.9Confident68.7Low101 Ų10188.7 Ų88.762%0.6251%0.513SS*.Hα-helixtrans-63.3-43.6176.9-55.30000110.8K49 F50 Q51 G56 F57K49-T53 WeakPolarHBondContact O-CB 3.48Å; K49-T53 PolarHBondContact O-N 3.36Å; K49-T53 PolarHBondContact O-OG1 3.03Å; F50-T53 PolarHBondContact O-N 3.48Å; Q51-T53 PolarHBondContact O-N 3.44Å; T53-G56 PolarHBondContact O-N 3.46Å; T53-F57 WeakPolarHBondContact O-CB 3.34Å; T53-F57 PolarHBondContact O-N 2.92Å; T53-F57 VanDerWaalsContact O-N 3.07Å
54L69.2Low70.1Confident80 Ų8093.2 Ų93.242%0.41951%0.514SS..Hα-helixtrans-64.8-41.2174.5-77.4178.2000112F50 Q51 D52 F57 V58F50-L54 HydrophobicContact CD1-CD1 3.82Å; F50-L54 HydrophobicContact CD1-CG 4.42Å; F50-L54 HydrophobicContact CE1-CD1 3.3Å; F50-L54 HydrophobicContact CE1-CG 4.06Å; F50-L54 HydrophobicContact CZ-CD1 3.76Å; F50-L54 HydrophobicContact CZ-CD2 4.45Å; F50-L54 HydrophobicContact CZ-CG 4.12Å; F50-L54 WeakPolarHBondContact O-CG 3.43Å; F50-L54 PolarHBondContact O-N 2.96Å; Q51-L54 PolarHBondContact O-N 2.85Å; D52-L54 PolarHBondContact O-N 2.89Å; L54-F57 PolarHBondContact O-N 3.17Å; L54-V58 VanDerWaalsContact O-CB 3.3Å; L54-V58 WeakPolarHBondContact O-CB 3.33Å; L54-V58 VanDerWaalsContact O-CG2 3.32Å; L54-V58 WeakPolarHBondContact O-CG2 3.4Å; L54-V58 PolarHBondContact O-N 3.45Å
55A71.3Confident71Confident60 Ų6089 Ų8950%0.49650%0.496SS..Hα-helixtrans-63.7-42.317800000111.3Q51 D52 F57 G59Q51-A55 VanDerWaalsContact O-CB 3.32Å; Q51-A55 WeakPolarHBondContact O-CB 3.49Å; Q51-A55 PolarHBondContact O-N 2.96Å; D52-A55 PolarHBondContact O-N 3.34Å; A55-F57 VanDerWaalsContact C-N 3.29Å; A55-F57 PolarHBondContact O-N 2.92Å; A55-G59 WeakPolarHBondContact O-CA 3.35Å; A55-G59 PolarHBondContact O-N 2.78Å
56G69.9Low72.1Confident52 Ų5291.2 Ų91.254%0.53649%0.493SS..Hα-helixtrans-63.6-32.6174.500000113.3D52 T53 P60D52-G56 PolarHBondContact O-N 3.38Å; T53-G56 PolarHBondContact O-N 3.46Å; G56-P60 WeakPolarHBondContact O-CD 3.24Å; G56-P60 WeakPolarHBondContact O-CG 3.37Å
57F73.4Confident73.1Confident139 Ų13992.1 Ų92.161%0.6150%0.496SS*.Hα-helixtrans-82.2-46.7178.9-168.6-97.7000113T53 L54 A55 I61T53-F57 WeakPolarHBondContact O-CB 3.34Å; T53-F57 PolarHBondContact O-N 2.92Å; T53-F57 VanDerWaalsContact O-N 3.07Å; L54-F57 PolarHBondContact O-N 3.17Å; A55-F57 VanDerWaalsContact C-N 3.29Å; A55-F57 PolarHBondContact O-N 2.92Å; F57-I61 HydrophobicContact CD1-CD1 4.3Å; F57-I61 HydrophobicContact CE1-CD1 4.07Å; F57-I61 WeakPolarHBondContact O-CD1 3.48Å
58V75.6Confident73.9Confident57 Ų5792.9 Ų92.935%0.34549%0.488SS..Hα-helixtrans-88.3-32-171.1-178.20000111.8L54 I61 L62L54-V58 VanDerWaalsContact O-CB 3.3Å; L54-V58 WeakPolarHBondContact O-CB 3.33Å; L54-V58 VanDerWaalsContact O-CG2 3.32Å; L54-V58 WeakPolarHBondContact O-CG2 3.4Å; L54-V58 PolarHBondContact O-N 3.45Å; V58-I61 WeakPolarHBondContact O-CB 3.5Å; V58-I61 PolarHBondContact O-N 3.39Å; V58-I61 VanDerWaalsContact O-N 3.16Å; V58-L62 HydrophobicContact CG1-CD1 3.7Å; V58-L62 HydrophobicContact CG1-CG 3.82Å; V58-L62 WeakPolarHBondContact O-CG 3.38Å; V58-L62 PolarHBondContact O-N 3.5Å
59G77.5Confident74.1Confident34 Ų3494.4 Ų94.435%0.35149%0.489SS..Hα-helixtrans-54.6-53.3-179.800000113.3A55 I61 L62 S63A55-G59 WeakPolarHBondContact O-CA 3.35Å; A55-G59 PolarHBondContact O-N 2.78Å; G59-I61 VanDerWaalsContact C-N 3.28Å; G59-I61 PolarHBondContact O-N 2.88Å; G59-L62 PolarHBondContact O-N 3.14Å; G59-S63 WeakPolarHBondContact O-CB 3.18Å; G59-S63 PolarHBondContact O-N 2.93Å
60P76.5Confident74.7Confident68 Ų6892.9 Ų92.944%0.44248%0.484SS..Hα-helixtrans-59.5-38.3177.1-25.435.1000112.9G56 S63 R64G56-P60 WeakPolarHBondContact O-CD 3.24Å; G56-P60 WeakPolarHBondContact O-CG 3.37Å; P60-S63 WeakPolarHBondContact CA-OG 3.49Å; P60-S63 PolarHBondContact O-N 2.91Å; P60-S63 PolarHBondContact O-OG 3.38Å; P60-R64 PolarHBondContact O-N 3.43Å
61I78.6Confident75.3Confident50 Ų5090.3 Ų90.326%0.25648%0.476SS..Hα-helixtrans-63.8-50178.1-66174.5000110.4W16 F57 V58 G59 S63 R64 L65W16-I61 HydrophobicContact CH2-CG2 4.19Å; W16-I61 HydrophobicContact CZ2-CG2 3.52Å; F57-I61 HydrophobicContact CD1-CD1 4.3Å; F57-I61 HydrophobicContact CE1-CD1 4.07Å; F57-I61 WeakPolarHBondContact O-CD1 3.48Å; V58-I61 WeakPolarHBondContact O-CB 3.5Å; V58-I61 PolarHBondContact O-N 3.39Å; V58-I61 VanDerWaalsContact O-N 3.16Å; G59-I61 VanDerWaalsContact C-N 3.28Å; G59-I61 PolarHBondContact O-N 2.88Å; I61-S63 VanDerWaalsContact C-N 3.31Å; I61-S63 PolarHBondContact O-N 3.18Å; I61-R64 PolarHBondContact O-N 2.96Å; I61-L65 PolarHBondContact O-N 3.34Å
62L74.4Confident75.8Confident108 Ų10887.9 Ų87.957%0.56547%0.465SS*.Hα-helixtrans-63.7-38178.6-69.4177.6000111.8V58 G59 L65 R66V58-L62 HydrophobicContact CG1-CD1 3.7Å; V58-L62 HydrophobicContact CG1-CG 3.82Å; V58-L62 WeakPolarHBondContact O-CG 3.38Å; V58-L62 PolarHBondContact O-N 3.5Å; G59-L62 PolarHBondContact O-N 3.14Å; L62-L65 PolarHBondContact O-N 3.49Å; L62-R66 WeakPolarHBondContact O-CB 3.34Å; L62-R66 PolarHBondContact O-N 3.33Å
63S74.4Confident76.3Confident52 Ų5289 Ų8936%0.36447%0.468SS..Hα-helixtrans-63.4-42.9176.574.90000112.2G59 P60 I61 R66 N67G59-S63 WeakPolarHBondContact O-CB 3.18Å; G59-S63 PolarHBondContact O-N 2.93Å; P60-S63 WeakPolarHBondContact CA-OG 3.49Å; P60-S63 PolarHBondContact O-N 2.91Å; P60-S63 PolarHBondContact O-OG 3.38Å; I61-S63 VanDerWaalsContact C-N 3.31Å; I61-S63 PolarHBondContact O-N 3.18Å; S63-R66 PolarHBondContact O-N 3.47Å; S63-N67 VanDerWaalsContact O-CG 3.26Å; S63-N67 PolarHBondContact O-N 2.97Å; S63-N67 PolarHBondContact O-OD1 3.28Å
64R77.2Confident76.7Confident197 Ų19790.2 Ų90.274%0.74347%0.465SS*.Hα-helixtrans-63.8-42.3174.7-77.4-178.2177.91770.4111.8P60 I61 R66 N67 Y68P60-R64 PolarHBondContact O-N 3.43Å; I61-R64 PolarHBondContact O-N 2.96Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-N67 PolarHBondContact O-N 3.4Å; R64-Y68 WeakPolarHBondContact O-CB 3.42Å; R64-Y68 PolarHBondContact O-N 2.88Å
65L72.1Confident77.2Confident66 Ų6694 Ų9435%0.34647%0.474SS..Hα-helixtrans-62.7-42.3177.3-123.5143.8000111.3W16 I61 L62 Y68 L69W16-L65 HydrophobicContact CH2-CD1 4.46Å; W16-L65 HydrophobicContact CZ2-CD1 4.41Å; I61-L65 PolarHBondContact O-N 3.34Å; L62-L65 PolarHBondContact O-N 3.49Å; L65-Y68 PolarHBondContact O-N 2.96Å; L65-L69 HydrophobicContact CD2-CD1 4.3Å; L65-L69 WeakPolarHBondContact O-CG 3.32Å; L65-L69 PolarHBondContact O-N 3.38Å
66R77Confident77.5Confident148 Ų14896.7 Ų96.756%0.55848%0.475SS*.Hα-helixtrans-60.5-50.2175.1-163-172.298.3-148.60.1111.4L62 S63 R64 Y68 L69 E70L62-R66 WeakPolarHBondContact O-CB 3.34Å; L62-R66 PolarHBondContact O-N 3.33Å; S63-R66 PolarHBondContact O-N 3.47Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R66-Y68 VanDerWaalsContact C-N 3.29Å; R66-Y68 PolarHBondContact O-N 3.48Å; R66-L69 PolarHBondContact O-N 3.04Å; R66-L69 VanDerWaalsContact O-N 3.16Å; R66-E70 IonicContact CZ-OE1 3.12Å; R66-E70 IonicContact NE-OE1 3.98Å; R66-E70 PolarHBondContact NE-OE1 2.86Å; R66-E70 IonicContact NH2-OE1 2.77Å; R66-E70 WeakPolarHBondContact O-CG 3.4Å; R66-E70 PolarHBondContact O-N 2.92Å
67N81.4Confident77.9Confident87 Ų87101.5 Ų101.547%0.46548%0.478SS..Hα-helixtrans-61-38.9179.4-67.2-8.3000112S63 R64 E70 D71S63-N67 VanDerWaalsContact O-CG 3.26Å; S63-N67 PolarHBondContact O-N 2.97Å; S63-N67 PolarHBondContact O-OD1 3.28Å; R64-N67 PolarHBondContact O-N 3.4Å; N67-E70 PolarHBondContact O-N 3.25Å; N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 2.91Å
68Y78.2Confident77.9Confident115 Ų11598.3 Ų98.345%0.45147%0.466SS..Hα-helixtrans-62.6-44.4175.3-178.4-107.2000112D12 R64 L65 R66 D71 M72D12-Y68 PolarHBondContact OD2-OH 3.41Å; R64-Y68 WeakPolarHBondContact O-CB 3.42Å; R64-Y68 PolarHBondContact O-N 2.88Å; L65-Y68 PolarHBondContact O-N 2.96Å; R66-Y68 VanDerWaalsContact C-N 3.29Å; R66-Y68 PolarHBondContact O-N 3.48Å; Y68-D71 PolarHBondContact O-N 3.19Å; Y68-M72 WeakPolarHBondContact O-CB 3.49Å; Y68-M72 PolarHBondContact O-N 2.84Å
69L76.1Confident78.1Confident82 Ų8299 Ų9943%0.42947%0.471SS..Hα-helixtrans-66.6-40.3177.5-69.3171.8000112.1L65 R66 M72 M73L65-L69 HydrophobicContact CD2-CD1 4.3Å; L65-L69 WeakPolarHBondContact O-CG 3.32Å; L65-L69 PolarHBondContact O-N 3.38Å; R66-L69 PolarHBondContact O-N 3.04Å; R66-L69 VanDerWaalsContact O-N 3.16Å; L69-M72 PolarHBondContact O-N 3.28Å; L69-M73 WeakPolarHBondContact O-CB 3.33Å; L69-M73 WeakPolarHBondContact O-CG 3.43Å; L69-M73 PolarHBondContact O-N 2.89Å
70E80.4Confident78.1Confident99 Ų99106.4 Ų106.446%0.46349%0.488SS..Hα-helixtrans-61.3-47.7174.9-74.9174.5-169.600111.4R66 N67 M72 M73 F74R66-E70 IonicContact CZ-OE1 3.12Å; R66-E70 IonicContact NE-OE1 3.98Å; R66-E70 PolarHBondContact NE-OE1 2.86Å; R66-E70 IonicContact NH2-OE1 2.77Å; R66-E70 WeakPolarHBondContact O-CG 3.4Å; R66-E70 PolarHBondContact O-N 2.92Å; N67-E70 PolarHBondContact O-N 3.25Å; E70-M72 PolarHBondContact O-N 3.12Å; E70-M73 PolarHBondContact O-N 2.77Å; E70-F74 WeakPolarHBondContact O-CB 3.32Å; E70-F74 PolarHBondContact O-N 3.43Å
71D84.3Confident77.9Confident70 Ų70105.8 Ų105.837%0.37448%0.483SS..Hα-helixtrans-61.6-43.4176.8-172.559.8000111.5N67 Y68 M73 F74 R75N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 2.91Å; Y68-D71 PolarHBondContact O-N 3.19Å; D71-M73 PolarHBondContact O-N 3.28Å; D71-F74 PolarHBondContact O-N 2.91Å; D71-R75 WeakPolarHBondContact O-CG 3.2Å; D71-R75 PolarHBondContact O-N 3.29Å; D71-R75 IonicContact OD1-NE 3.33Å; D71-R75 IonicContact OD1-NH2 2.88Å; D71-R75 IonicContact OD2-CZ 3.62Å; D71-R75 IonicContact OD2-NE 2.8Å; D71-R75 PolarHBondContact OD2-NE 3.03Å; D71-R75 IonicContact OD2-NH2 3.55Å; D71-R75 PolarHBondContact OD2-NH2 3.44Å; D71-R75 VanDerWaalsContact OD2-NH2 3.12Å
72M83.5Confident77.8Confident69 Ų69107.8 Ų107.834%0.3449%0.492SS..Hα-helixtrans-61-46177.1-173.1-171.6-174.100111.9C9 Y68 L69 E70 R75 K76C9-M72 HydrophobicContact CB-CE 4.38Å; Y68-M72 WeakPolarHBondContact O-CB 3.49Å; Y68-M72 PolarHBondContact O-N 2.84Å; L69-M72 PolarHBondContact O-N 3.28Å; E70-M72 PolarHBondContact O-N 3.12Å; M72-R75 PolarHBondContact O-N 3.38Å; M72-K76 WeakPolarHBondContact O-CB 3.48Å; M72-K76 PolarHBondContact O-N 3.35Å
73M81.1Confident78.1Confident135 Ų135108.9 Ų108.967%0.66550%0.495SS*.Hα-helixtrans-65.3-40.9178.4-72.3-70.5-71.300111.4L69 E70 D71 K76 Y77L69-M73 WeakPolarHBondContact O-CB 3.33Å; L69-M73 WeakPolarHBondContact O-CG 3.43Å; L69-M73 PolarHBondContact O-N 2.89Å; E70-M73 PolarHBondContact O-N 2.77Å; D71-M73 PolarHBondContact O-N 3.28Å; M73-K76 PolarHBondContact O-N 2.97Å; M73-Y77 PolarHBondContact O-N 3.16Å
74F78.6Confident78.2Confident127 Ų127111.2 Ų111.256%0.55751%0.511SS*.Hα-helixtrans-62.1-48.8176.5-177.7-101.9000111.6E70 D71 K76 Y77 I78E70-F74 WeakPolarHBondContact O-CB 3.32Å; E70-F74 PolarHBondContact O-N 3.43Å; D71-F74 PolarHBondContact O-N 2.91Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 3.4Å; F74-Y77 WeakPolarHBondContact O-CB 3.26Å; F74-Y77 PolarHBondContact O-N 3.12Å; F74-I78 HydrophobicContact CD1-CG1 4.24Å; F74-I78 HydrophobicContact CE1-CD1 4.41Å; F74-I78 HydrophobicContact CE1-CG1 3.83Å; F74-I78 HydrophobicContact CE2-CD1 4.27Å; F74-I78 HydrophobicContact CE2-CG1 4.26Å; F74-I78 HydrophobicContact CZ-CD1 3.94Å; F74-I78 HydrophobicContact CZ-CG1 3.84Å; F74-I78 WeakPolarHBondContact O-CG1 3.48Å; F74-I78 PolarHBondContact O-N 3.05Å
75R79.4Confident77.9Confident160 Ų160108.1 Ų108.160%0.60451%0.508SS*.Hα-helixtrans-56.8-46.4175.6-72.4175.5-169.7-108.1-1111.6D71 M72 Y77 I78 T79D71-R75 WeakPolarHBondContact O-CG 3.2Å; D71-R75 PolarHBondContact O-N 3.29Å; D71-R75 IonicContact OD1-NE 3.33Å; D71-R75 IonicContact OD1-NH2 2.88Å; D71-R75 IonicContact OD2-CZ 3.62Å; D71-R75 IonicContact OD2-NE 2.8Å; D71-R75 PolarHBondContact OD2-NE 3.03Å; D71-R75 IonicContact OD2-NH2 3.55Å; D71-R75 PolarHBondContact OD2-NH2 3.44Å; D71-R75 VanDerWaalsContact OD2-NH2 3.12Å; M72-R75 PolarHBondContact O-N 3.38Å; R75-Y77 VanDerWaalsContact C-N 3.31Å; R75-Y77 PolarHBondContact O-N 2.85Å; R75-I78 PolarHBondContact O-N 3.13Å; R75-T79 PolarHBondContact O-N 3.17Å; R75-T79 PolarHBondContact O-OG1 3.2Å; R75-T79 VanDerWaalsContact O-OG1 3.05Å
76K77.8Confident77.7Confident116 Ų116116.6 Ų116.650%0.50454%0.537SS..Hα-helixtrans-61.9-39.6179-169.5175.7-179.6-178.20112E2 M72 M73 F74 R80E2-K76 IonicContact OE1-NZ 3.39Å; E2-K76 PolarHBondContact OE1-NZ 3.03Å; M72-K76 WeakPolarHBondContact O-CB 3.48Å; M72-K76 PolarHBondContact O-N 3.35Å; M73-K76 PolarHBondContact O-N 2.97Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 3.4Å; K76-R80 WeakPolarHBondContact O-CB 3.49Å; K76-R80 PolarHBondContact O-N 3.16Å; K76-R80 VanDerWaalsContact O-N 3.12Å
77Y78.2Confident77.7Confident153 Ų153115.1 Ų115.160%0.654%0.536SS*.Hα-helixtrans-63.2-49.7175.2175.9-98.9000111.5M73 F74 R75 T79 R80 V81M73-Y77 PolarHBondContact O-N 3.16Å; F74-Y77 WeakPolarHBondContact O-CB 3.26Å; F74-Y77 PolarHBondContact O-N 3.12Å; R75-Y77 VanDerWaalsContact C-N 3.31Å; R75-Y77 PolarHBondContact O-N 2.85Å; Y77-T79 PolarHBondContact O-N 2.88Å; Y77-R80 PolarHBondContact O-N 3.33Å; Y77-R80 VanDerWaalsContact O-N 3.16Å; Y77-V81 HydrophobicContact CD1-CG2 4.26Å; Y77-V81 HydrophobicContact CE1-CG2 3.81Å; Y77-V81 HydrophobicContact CE2-CG2 4.12Å; Y77-V81 WeakPolarHBondContact O-CG2 3.35Å; Y77-V81 PolarHBondContact O-N 3.26Å
78I74.6Confident77.5Confident71 Ų71116.5 Ų116.536%0.36454%0.54SS..Hα-helixtrans-59.6-45.6178.3-64.9-63.5000111.2F74 R75 R80 V81 M82F74-I78 HydrophobicContact CD1-CG1 4.24Å; F74-I78 HydrophobicContact CE1-CD1 4.41Å; F74-I78 HydrophobicContact CE1-CG1 3.83Å; F74-I78 HydrophobicContact CE2-CD1 4.27Å; F74-I78 HydrophobicContact CE2-CG1 4.26Å; F74-I78 HydrophobicContact CZ-CD1 3.94Å; F74-I78 HydrophobicContact CZ-CG1 3.84Å; F74-I78 WeakPolarHBondContact O-CG1 3.48Å; F74-I78 PolarHBondContact O-N 3.05Å; R75-I78 PolarHBondContact O-N 3.13Å; I78-R80 VanDerWaalsContact C-N 3.29Å; I78-R80 PolarHBondContact O-N 2.87Å; I78-V81 PolarHBondContact O-N 3.28Å; I78-M82 HydrophobicContact CG2-CG 4.29Å; I78-M82 VanDerWaalsContact O-CG 3.32Å; I78-M82 WeakPolarHBondContact O-CG 3.44Å; I78-M82 PolarHBondContact O-N 3.46Å
79T79.9Confident77.5Confident73 Ų73116.6 Ų116.645%0.44855%0.545SS..Hα-helixtrans-55.7-45.7175.9-59.40000111.4R75 Y77 V81 M82 E83R75-T79 PolarHBondContact O-N 3.17Å; R75-T79 PolarHBondContact O-OG1 3.2Å; R75-T79 VanDerWaalsContact O-OG1 3.05Å; Y77-T79 PolarHBondContact O-N 2.88Å; T79-V81 PolarHBondContact O-N 3.24Å; T79-M82 PolarHBondContact O-N 3.32Å; T79-E83 HydrophobicContact CG2-CG 4.36Å; T79-E83 WeakPolarHBondContact O-CB 3.45Å; T79-E83 VanDerWaalsContact O-CG 3.31Å; T79-E83 WeakPolarHBondContact O-CG 3.31Å; T79-E83 PolarHBondContact O-N 3.09Å
80R77.1Confident77.5Confident189 Ų189118.6 Ų118.671%0.71355%0.552SS**Hα-helixtrans-67.2-34.6-179.8-168172.7179.1165.2-0113.1K76 Y77 I78 S84K76-R80 WeakPolarHBondContact O-CB 3.49Å; K76-R80 PolarHBondContact O-N 3.16Å; K76-R80 VanDerWaalsContact O-N 3.12Å; Y77-R80 PolarHBondContact O-N 3.33Å; Y77-R80 VanDerWaalsContact O-N 3.16Å; I78-R80 VanDerWaalsContact C-N 3.29Å; I78-R80 PolarHBondContact O-N 2.87Å; R80-S84 PolarHBondContact O-N 3.31Å
81V72.2Confident77.4Confident54 Ų54119.9 Ų119.933%0.32756%0.558SS.*Hα-helixtrans-66.7-45.4173.5171.80000110.4Y77 I78 T79 S84 L85Y77-V81 HydrophobicContact CD1-CG2 4.26Å; Y77-V81 HydrophobicContact CE1-CG2 3.81Å; Y77-V81 HydrophobicContact CE2-CG2 4.12Å; Y77-V81 WeakPolarHBondContact O-CG2 3.35Å; Y77-V81 PolarHBondContact O-N 3.26Å; I78-V81 PolarHBondContact O-N 3.28Å; T79-V81 PolarHBondContact O-N 3.24Å; V81-S84 PolarHBondContact O-N 3.41Å; V81-S84 VanDerWaalsContact O-N 3.13Å; V81-L85 HydrophobicContact CG1-CD1 4.14Å; V81-L85 WeakPolarHBondContact O-CG 3.17Å; V81-L85 PolarHBondContact O-N 3.08Å
82M75.2Confident76.9Confident93 Ų93123.2 Ų123.246%0.45857%0.57SS.*Hα-helixtrans-61.7-45.2176.9-67.8-64.4-71.700111.3I78 T79 S84 L85 Y86I78-M82 HydrophobicContact CG2-CG 4.29Å; I78-M82 VanDerWaalsContact O-CG 3.32Å; I78-M82 WeakPolarHBondContact O-CG 3.44Å; I78-M82 PolarHBondContact O-N 3.46Å; T79-M82 PolarHBondContact O-N 3.32Å; M82-S84 PolarHBondContact O-N 3.22Å; M82-L85 PolarHBondContact O-N 3.18Å; M82-L85 VanDerWaalsContact O-N 3.09Å; M82-Y86 HydrophobicContact CE-CE2 4.02Å; M82-Y86 WeakPolarHBondContact O-CD2 3.37Å; M82-Y86 PolarHBondContact O-N 3.44Å
83E81.6Confident76.4Confident131 Ų131127.1 Ų127.161%0.61259%0.586SS**Hα-helixtrans-62.1-22.2175.1-73.9174.6168.500113.6T79T79-E83 HydrophobicContact CG2-CG 4.36Å; T79-E83 WeakPolarHBondContact O-CB 3.45Å; T79-E83 VanDerWaalsContact O-CG 3.31Å; T79-E83 WeakPolarHBondContact O-CG 3.31Å; T79-E83 PolarHBondContact O-N 3.09Å
84S75.9Confident76.1Confident101 Ų101126.5 Ų126.571%0.70658%0.58SS**Hα-helixtrans-87.9-14.1176.6-175.70000113.4R80 V81 M82R80-S84 PolarHBondContact O-N 3.31Å; V81-S84 PolarHBondContact O-N 3.41Å; V81-S84 VanDerWaalsContact O-N 3.13Å; M82-S84 PolarHBondContact O-N 3.22Å
85L72.5Confident75.9Confident131 Ų131126.4 Ų126.469%0.68658%0.582SS**Hα-helixtrans-94.2-16.5-179.4-73.2170000112.8V81 M82V81-L85 HydrophobicContact CG1-CD1 4.14Å; V81-L85 WeakPolarHBondContact O-CG 3.17Å; V81-L85 PolarHBondContact O-N 3.08Å; M82-L85 PolarHBondContact O-N 3.18Å; M82-L85 VanDerWaalsContact O-N 3.09Å
86Y66.1Low75.5Confident245 Ų245123.4 Ų123.496%0.96158%0.58SS**  trans-107.20176.4-74.2-79.1000111M82M82-Y86 HydrophobicContact CE-CE2 4.02Å; M82-Y86 WeakPolarHBondContact O-CD2 3.37Å; M82-Y86 PolarHBondContact O-N 3.44Å

Retrieved 86 of 86 residues in 43.1 ms (Link to these results)

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