A0A3B3U9F1_9TELE Loading...

U1 small nuclear ribonucleoprotein C

Component of the spliceosomal U1 snRNP, which is essential for recognition of the pre-mRNA 5' splice-site and the subsequent assembly of the spliceosome. SNRPC/U1-C is directly involved in initial 5' splice-site recognition for both constitutive and regulated alternative splicing. The interaction with the 5' splice-site seems to precede base-pairing between the pre-mRNA and the U1 snRNA. Stimulates commitment or early (E) complex formation by stabilizing the base pairing of the 5' end of the U1 snRNA and the 5' splice-site region. Component of the spliceosomal U1 snRNP, which is essential for recognition of the pre-mRNA 5' splice-site and the subsequent assembly of the spliceosome. snrpc/U1-C is directly involved in initial 5' splice-site recognition for both constitutive and regulated alternative splicing. The interaction with the 5' splice-site seems to precede base-pairing between the pre-mRNA and the U1 snRNA. Stimulates E complex formation by stabilizing the base pairing of the 5' end of the U1 snRNA and the 5' splice-site region.

AlphaFold DB , UniProt , Accession A0A3B3U9F1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene SNRPC, Length 147 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
1M64.8Low86.5Confident221 Ų22192.1 Ų92.1100%1.08946%0.46SS*.  0119.80-127.479105.900108.3K3M1-K3 PolarHBondContact O-N 3.15Å
2P74.4Confident86.9Confident106 Ų10698 Ų9869%0.68848%0.475SS*.PPolyproline II helixtrans-62.3123.8175.421.9-25.1000109D16P2-D16 WeakPolarHBondContact O-CB 3.18Å
3K80.2Confident87.1Confident158 Ų15892.2 Ų92.269%0.68745%0.448SS*.PPolyproline II helixtrans-95.6125.6173.3-68.4179.6179.4175.50106.7M1 Y5 Y12M1-K3 PolarHBondContact O-N 3.15Å; K3-Y5 PolarHBondContact O-N 3.09Å; K3-Y12 HydrophobicContact CB-CD1 4.45Å
4F87.3Confident86.8Confident60 Ų6094.4 Ų94.426%0.26347%0.469SS..PPolyproline II helixtrans-74.5125.3175.1176.2-97.1000109.7C6 L13 D16 R21F4-C6 HydrophobicContact CE1-CB 4.03Å; F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.37Å; F4-L13 HydrophobicContact CD1-CB 4.05Å; F4-L13 HydrophobicContact CD1-CD2 3.75Å; F4-L13 HydrophobicContact CG-CD2 4.41Å; F4-L13 WeakPolarHBondContact O-CB 3.36Å; F4-L13 PolarHBondContact O-N 3.24Å; F4-D16 HydrophobicContact CB-CB 4.24Å; F4-D16 WeakPolarHBondContact CB-OD1 3.37Å; F4-R21 HydrophobicContact CB-CG 4.48Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 HydrophobicContact CD2-CG 4.2Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.46Å; F4-R21 HydrophobicContact CG-CG 4Å
5Y91.4Very high86.6Confident77 Ų7796.9 Ų96.930%0.30248%0.479SS..EExtended strand (participates in β ladder)trans-104.8139.4171-178.1-104.6000108.7K3 D10 Y12K3-Y5 PolarHBondContact O-N 3.09Å; Y5-D10 WeakPolarHBondContact OH-CA 3.32Å; Y5-D10 PolarHBondContact OH-OD1 3.44Å; Y5-D10 VanDerWaalsContact OH-OD1 3.12Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 AromaticContact CD2-CD2 3.99Å; Y5-Y12 HydrophobicContact CD2-CD2 3.99Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.85Å; Y5-Y12 HydrophobicContact CD2-CE2 3.85Å; Y5-Y12 AromaticContact CD2-CG 3.93Å; Y5-Y12 HydrophobicContact CD2-CG 3.93Å; Y5-Y12 AromaticContact CD2-CZ 3.67Å; Y5-Y12 HydrophobicContact CE2-CD2 4.28Å; Y5-Y12 HydrophobicContact CE2-CE1 4.49Å; Y5-Y12 AromaticContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CG-CD1 4.34Å; Y5-Y12 HydrophobicContact CG-CE1 4.09Å
6C93.1Very high86.4Confident5 Ų594.4 Ų94.43%0.03447%0.468CS..EExtended strand (participates in β ladder)trans-111.2111.1174.5176.10000109.7F4 Y8 C9 D10 T11 H24 H30F4-C6 HydrophobicContact CE1-CB 4.03Å; C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 2.83Å; C6-C9 HydrophobicContact CB-CB 4.09Å; C6-C9 PolarHBondContact O-N 3.41Å; C6-D10 PolarHBondContact O-N 2.89Å; C6-T11 PolarHBondContact N-O 2.92Å; C6-T11 VanDerWaalsContact N-O 3.16Å; C6-H24 VanDerWaalsContact CB-NE2 3.31Å; C6-H24 WeakPolarHBondContact CB-NE2 3.41Å; C6-H24 PolarHBondContact SG-NE2 3.48Å; C6-H30 PolarHBondContact SG-CE1 2.9Å; C6-H30 PolarHBondContact SG-ND1 3.41Å
7D93.3Very high86.5Confident120 Ų12091.2 Ų91.264%0.64246%0.457SS*.THydrogen-bonded Turntrans-61.5-33.8-178.9-54.1-83.3000113C9D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.39Å
8Y92.1Very high86.5Confident85 Ų8591.2 Ų91.233%0.33346%0.464SS..THydrogen-bonded Turntrans-70.9-22.2176.9-56.2-68.2000113.5C6 H30 N33 V34 Y37C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 2.83Å; Y8-H30 AromaticContact CD2-CE1 3.69Å; Y8-N33 WeakPolarHBondContact O-CB 3.39Å; Y8-N33 PolarHBondContact O-ND2 3.47Å; Y8-V34 HydrophobicContact CD1-CG2 3.92Å; Y8-V34 HydrophobicContact CD2-CG2 3.7Å; Y8-V34 HydrophobicContact CE1-CG2 4.37Å; Y8-V34 HydrophobicContact CE2-CG2 4.17Å; Y8-V34 HydrophobicContact CG-CG2 3.55Å; Y8-Y37 HydrophobicContact CD1-CD1 4.41Å; Y8-Y37 HydrophobicContact CD1-CG 4.19Å; Y8-Y37 AromaticContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CE1 4.3Å; Y8-Y37 HydrophobicContact CE1-CG 4.21Å
9C93.1Very high86.5Confident10 Ų1090.8 Ų90.87%0.06847%0.471CS..THydrogen-bonded Turntrans-108.3-9.8-174.2-70.90000112.7C6 D7 T11 H24C6-C9 HydrophobicContact CB-CB 4.09Å; C6-C9 PolarHBondContact O-N 3.41Å; D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.39Å; C9-T11 HydrophobicContact CB-CG2 4.27Å; C9-T11 WeakPolarHBondContact O-CG2 3.15Å; C9-T11 PolarHBondContact O-N 3.38Å; C9-T11 VanDerWaalsContact O-N 3.16Å; C9-H24 PolarHBondContact SG-NE2 3.5Å
10D92.1Very high86.7Confident122 Ų12288.5 Ų88.565%0.65246%0.461SS*.THydrogen-bonded Turntrans47.234.6-168.3-64.9-37.5000113.6Y5 C6Y5-D10 WeakPolarHBondContact OH-CA 3.32Å; Y5-D10 PolarHBondContact OH-OD1 3.44Å; Y5-D10 VanDerWaalsContact OH-OD1 3.12Å; C6-D10 PolarHBondContact O-N 2.89Å
11T90.3Very high87Confident49 Ų4988.2 Ų88.230%0.30145%0.453SS..EExtended strand (participates in β ladder)trans-126.3140.3-175.167.10000112.7C6 C9C6-T11 PolarHBondContact N-O 2.92Å; C6-T11 VanDerWaalsContact N-O 3.16Å; C9-T11 HydrophobicContact CB-CG2 4.27Å; C9-T11 WeakPolarHBondContact O-CG2 3.15Å; C9-T11 PolarHBondContact O-N 3.38Å; C9-T11 VanDerWaalsContact O-N 3.16Å
12Y90.6Very high88.2Confident163 Ų16385.3 Ų85.364%0.63944%0.435SS*.EExtended strand (participates in β ladder)trans-82.1134.9166.4-67.7-82.8000111.1K3 Y5K3-Y12 HydrophobicContact CB-CD1 4.45Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 AromaticContact CD2-CD2 3.99Å; Y5-Y12 HydrophobicContact CD2-CD2 3.99Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.85Å; Y5-Y12 HydrophobicContact CD2-CE2 3.85Å; Y5-Y12 AromaticContact CD2-CG 3.93Å; Y5-Y12 HydrophobicContact CD2-CG 3.93Å; Y5-Y12 AromaticContact CD2-CZ 3.67Å; Y5-Y12 HydrophobicContact CE2-CD2 4.28Å; Y5-Y12 HydrophobicContact CE2-CE1 4.49Å; Y5-Y12 AromaticContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CG-CD1 4.34Å; Y5-Y12 HydrophobicContact CG-CE1 4.09Å
13L89.5Confident89.1Confident23 Ų2384.4 Ų84.412%0.1243%0.428CS..  trans-85.9127.3174.3-161.459.4000109.8F4 H15 V20 R21 H24F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.37Å; F4-L13 HydrophobicContact CD1-CB 4.05Å; F4-L13 HydrophobicContact CD1-CD2 3.75Å; F4-L13 HydrophobicContact CG-CD2 4.41Å; F4-L13 WeakPolarHBondContact O-CB 3.36Å; F4-L13 PolarHBondContact O-N 3.24Å; L13-H15 VanDerWaalsContact C-N 3.29Å; L13-H15 PolarHBondContact O-N 2.97Å; L13-V20 HydrophobicContact CD1-CG1 3.61Å; L13-V20 HydrophobicContact CD2-CB 4.27Å; L13-V20 HydrophobicContact CD2-CG1 3.61Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; L13-R21 HydrophobicContact CD2-CG 3.98Å; L13-H24 HydrophobicContact CD1-CB 4.47Å
14T83.8Confident89.8Confident122 Ų12278.7 Ų78.775%0.74840%0.403SS*.SBendtrans-67.5-29.1-174.550.70000113.1
15H83.4Confident90Very high132 Ų13278.3 Ų78.361%0.61141%0.408SS*.SBendtrans-133116.7175.6-64.7-70.3000110.6L13 S17L13-H15 VanDerWaalsContact C-N 3.29Å; L13-H15 PolarHBondContact O-N 2.97Å; H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact O-N 2.95Å
16D83.6Confident90.1Very high58 Ų5877.6 Ų77.631%0.3141%0.414SS..  trans-84.367178.2-169.831.8000111.9P2 F4 R21P2-D16 WeakPolarHBondContact O-CB 3.18Å; F4-D16 HydrophobicContact CB-CB 4.24Å; F4-D16 WeakPolarHBondContact CB-OD1 3.37Å; D16-R21 VanDerWaalsContact OD1-CD 3.3Å; D16-R21 WeakPolarHBondContact OD1-CD 3.43Å; D16-R21 IonicContact OD1-CZ 3.03Å; D16-R21 IonicContact OD1-NE 2.6Å; D16-R21 IonicContact OD1-NH1 3.53Å; D16-R21 PolarHBondContact OD1-NH1 2.85Å; D16-R21 IonicContact OD2-NH1 3.78Å; D16-R21 PolarHBondContact OD2-NH1 3.31Å
17S87.1Confident90.2Very high40 Ų4078.5 Ų78.528%0.2842%0.424SS..  trans-105148.6171.980.80000110.5H15 S19 V20 R21H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact O-N 2.95Å; S17-S19 PolarHBondContact O-N 3.22Å; S17-V20 PolarHBondContact O-N 2.83Å; S17-V20 WeakPolarHBondContact OG-CB 3.32Å; S17-V20 WeakPolarHBondContact OG-CG2 3.43Å; S17-V20 PolarHBondContact OG-N 3.17Å; S17-R21 PolarHBondContact O-N 2.79Å
18P86.7Confident90.3Very high90 Ų9082 Ų8258%0.58443%0.428SS*.Hα-helixtrans-58.2-33.1179.621.9-32.5000112.4K22P18-K22 WeakPolarHBondContact O-CB 3.36Å; P18-K22 PolarHBondContact O-N 3.15Å
19S87.8Confident90.4Very high85 Ų8583.9 Ų83.959%0.59444%0.438SS*.Hα-helixtrans-66-44.9174.4-550000111.8S17 K22 T23S17-S19 PolarHBondContact O-N 3.22Å; S19-K22 PolarHBondContact O-N 2.72Å; S19-T23 WeakPolarHBondContact O-CG2 3.22Å; S19-T23 PolarHBondContact O-N 2.91Å; S19-T23 PolarHBondContact O-OG1 3.46Å
20V90.5Very high90.5Very high44 Ų4484.6 Ų84.627%0.26744%0.44SS..Hα-helixtrans-70.1-37.3180-178.30000111L13 S17 T23 H24L13-V20 HydrophobicContact CD1-CG1 3.61Å; L13-V20 HydrophobicContact CD2-CB 4.27Å; L13-V20 HydrophobicContact CD2-CG1 3.61Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; S17-V20 PolarHBondContact O-N 2.83Å; S17-V20 WeakPolarHBondContact OG-CB 3.32Å; S17-V20 WeakPolarHBondContact OG-CG2 3.43Å; S17-V20 PolarHBondContact OG-N 3.17Å; V20-T23 WeakPolarHBondContact CA-OG1 3.48Å; V20-T23 PolarHBondContact O-N 2.9Å; V20-T23 PolarHBondContact O-OG1 2.8Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.48Å; V20-H24 PolarHBondContact O-N 3.03Å
21R91.1Very high90.6Very high82 Ų8284.1 Ų84.131%0.30943%0.433SS..Hα-helixtrans-61.6-44.5171.5-70.3-168.2-61.8-107.92.4111.3F4 L13 D16 S17 T23 H24 C25F4-R21 HydrophobicContact CB-CG 4.48Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 HydrophobicContact CD2-CG 4.2Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.46Å; F4-R21 HydrophobicContact CG-CG 4Å; L13-R21 HydrophobicContact CD2-CG 3.98Å; D16-R21 VanDerWaalsContact OD1-CD 3.3Å; D16-R21 WeakPolarHBondContact OD1-CD 3.43Å; D16-R21 IonicContact OD1-CZ 3.03Å; D16-R21 IonicContact OD1-NE 2.6Å; D16-R21 IonicContact OD1-NH1 3.53Å; D16-R21 PolarHBondContact OD1-NH1 2.85Å; D16-R21 IonicContact OD2-NH1 3.78Å; D16-R21 PolarHBondContact OD2-NH1 3.31Å; S17-R21 PolarHBondContact O-N 2.79Å; R21-T23 PolarHBondContact O-N 3.49Å; R21-H24 PolarHBondContact O-N 3.22Å; R21-C25 PolarHBondContact O-N 3.1Å; R21-C25 PolarHBondContact O-SG 3.23Å
22K91.6Very high90.8Very high160 Ų16086.4 Ų86.470%0.69644%0.44SS*.Hα-helixtrans-61.7-45.6177.5-175.1178.4-74.7-1750111.5P18 S19 S26P18-K22 WeakPolarHBondContact O-CB 3.36Å; P18-K22 PolarHBondContact O-N 3.15Å; S19-K22 PolarHBondContact O-N 2.72Å; K22-S26 VanDerWaalsContact O-CB 3.26Å; K22-S26 WeakPolarHBondContact O-CB 3.1Å; K22-S26 PolarHBondContact O-N 2.94Å; K22-S26 PolarHBondContact O-OG 3.01Å
23T93.4Very high91Very high88 Ų8880.9 Ų80.954%0.5442%0.421SS..Hα-helixtrans-66.4-37.7177.757.20000111.8S19 V20 R21 S26 G27S19-T23 WeakPolarHBondContact O-CG2 3.22Å; S19-T23 PolarHBondContact O-N 2.91Å; S19-T23 PolarHBondContact O-OG1 3.46Å; V20-T23 WeakPolarHBondContact CA-OG1 3.48Å; V20-T23 PolarHBondContact O-N 2.9Å; V20-T23 PolarHBondContact O-OG1 2.8Å; R21-T23 PolarHBondContact O-N 3.49Å; T23-S26 WeakPolarHBondContact CA-OG 3.48Å; T23-S26 PolarHBondContact O-OG 3.43Å; T23-S26 VanDerWaalsContact O-OG 3.09Å; T23-G27 PolarHBondContact O-N 3.34Å
24H93.9Very high91.2Very high37 Ų3781.4 Ų81.417%0.17143%0.426CS..Hα-helixtrans-60.7-55.2173.9-179.885.6000112.2C6 C9 L13 V20 R21 S26 G27 H30C6-H24 VanDerWaalsContact CB-NE2 3.31Å; C6-H24 WeakPolarHBondContact CB-NE2 3.41Å; C6-H24 PolarHBondContact SG-NE2 3.48Å; C9-H24 PolarHBondContact SG-NE2 3.5Å; L13-H24 HydrophobicContact CD1-CB 4.47Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.48Å; V20-H24 PolarHBondContact O-N 3.03Å; R21-H24 PolarHBondContact O-N 3.22Å; H24-S26 VanDerWaalsContact C-N 3.29Å; H24-S26 PolarHBondContact O-N 3.25Å; H24-G27 PolarHBondContact O-N 3.02Å; H24-H30 AromaticContact CD2-ND1 3.73Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.36Å
25C91.7Very high91.7Very high53 Ų5382.6 Ų82.636%0.35842%0.42SS..Hα-helixtrans-65.6-32.7-178-60.70000112.4R21 G27 H30R21-C25 PolarHBondContact O-N 3.1Å; R21-C25 PolarHBondContact O-SG 3.23Å; C25-G27 VanDerWaalsContact C-N 3.25Å; C25-G27 PolarHBondContact O-N 3.18Å; C25-H30 PolarHBondContact O-CD2 3.38Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å
26S94.1Very high92.1Very high62 Ų6280.1 Ų80.143%0.43441%0.412SS..Hα-helixtrans-77.3-12.5174.872.50000113.6K22 T23 H24 K31K22-S26 VanDerWaalsContact O-CB 3.26Å; K22-S26 WeakPolarHBondContact O-CB 3.1Å; K22-S26 PolarHBondContact O-N 2.94Å; K22-S26 PolarHBondContact O-OG 3.01Å; T23-S26 WeakPolarHBondContact CA-OG 3.48Å; T23-S26 PolarHBondContact O-OG 3.43Å; T23-S26 VanDerWaalsContact O-OG 3.09Å; H24-S26 VanDerWaalsContact C-N 3.29Å; H24-S26 PolarHBondContact O-N 3.25Å; S26-K31 VanDerWaalsContact O-CE 3.24Å; S26-K31 WeakPolarHBondContact O-CE 3.48Å; S26-K31 PolarHBondContact O-NZ 2.84Å
27G94.3Very high92.6Very high24 Ų2483.5 Ų83.525%0.24742%0.421CS..SBendtrans-66.7152.1-177.500000112.8T23 H24 C25 K29 H30 K31T23-G27 PolarHBondContact O-N 3.34Å; H24-G27 PolarHBondContact O-N 3.02Å; C25-G27 VanDerWaalsContact C-N 3.25Å; C25-G27 PolarHBondContact O-N 3.18Å; G27-K29 PolarHBondContact O-N 2.98Å; G27-H30 PolarHBondContact O-N 2.93Å; G27-K31 PolarHBondContact O-N 3.17Å; G27-K31 VanDerWaalsContact O-N 3.15Å
28R94.8Very high92.7Very high192 Ų19287 Ų8773%0.72543%0.429SS*.Hα-helixtrans-60.2-48.8-176.5-164.9-172.3-51.2110.74.8112.1H30 K31 E32R28-H30 VanDerWaalsContact C-N 3.33Å; R28-H30 PolarHBondContact O-N 3.26Å; R28-K31 PolarHBondContact O-N 3Å; R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.44Å; R28-E32 VanDerWaalsContact CG-OE1 3.28Å; R28-E32 WeakPolarHBondContact CG-OE1 3.38Å; R28-E32 WeakPolarHBondContact O-CG 3.22Å; R28-E32 PolarHBondContact O-N 3.24Å
29K94.3Very high92.8Very high125 Ų12588.5 Ų88.554%0.54343%0.428SS..Hα-helixtrans-56.1-45.6179.4-175.3-179.6177.6-174.10112.2G27 E32 N33G27-K29 PolarHBondContact O-N 2.98Å; K29-E32 PolarHBondContact O-N 2.86Å; K29-N33 WeakPolarHBondContact O-CB 3.38Å; K29-N33 VanDerWaalsContact O-CG 3.27Å; K29-N33 PolarHBondContact O-N 3.06Å; K29-N33 PolarHBondContact O-OD1 3.02Å
30H95.9Very high92.8Very high25 Ų2590.8 Ų90.812%0.11643%0.427CS..Hα-helixtrans-63.9-47178.7-178.391.2000111.3C6 Y8 H24 C25 G27 R28 E32 N33 V34C6-H30 PolarHBondContact SG-CE1 2.9Å; C6-H30 PolarHBondContact SG-ND1 3.41Å; Y8-H30 AromaticContact CD2-CE1 3.69Å; H24-H30 AromaticContact CD2-ND1 3.73Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.36Å; C25-H30 PolarHBondContact O-CD2 3.38Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å; G27-H30 PolarHBondContact O-N 2.93Å; R28-H30 VanDerWaalsContact C-N 3.33Å; R28-H30 PolarHBondContact O-N 3.26Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 3.21Å; H30-N33 PolarHBondContact O-N 3.34Å; H30-V34 WeakPolarHBondContact O-CB 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.39Å; H30-V34 PolarHBondContact O-N 3.38Å
31K95.1Very high92.7Very high113 Ų11394.3 Ų94.349%0.49144%0.436SS..Hα-helixtrans-62.6-38.6178.9-72.3171.4173.7163.70113.2S26 G27 R28 K35S26-K31 VanDerWaalsContact O-CE 3.24Å; S26-K31 WeakPolarHBondContact O-CE 3.48Å; S26-K31 PolarHBondContact O-NZ 2.84Å; G27-K31 PolarHBondContact O-N 3.17Å; G27-K31 VanDerWaalsContact O-N 3.15Å; R28-K31 PolarHBondContact O-N 3Å; K31-K35 WeakPolarHBondContact O-CG 3.46Å; K31-K35 PolarHBondContact O-N 3.19Å; K31-K35 VanDerWaalsContact O-N 3.15Å
32E94.5Very high92.3Very high96 Ų9695.7 Ų95.745%0.44945%0.447SS..Hα-helixtrans-66.7-49.6175.9-74.1167.7175.300110.6R28 K29 H30 V34 K35 D36R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.44Å; R28-E32 VanDerWaalsContact CG-OE1 3.28Å; R28-E32 WeakPolarHBondContact CG-OE1 3.38Å; R28-E32 WeakPolarHBondContact O-CG 3.22Å; R28-E32 PolarHBondContact O-N 3.24Å; K29-E32 PolarHBondContact O-N 2.86Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 3.21Å; E32-V34 VanDerWaalsContact C-N 3.29Å; E32-V34 PolarHBondContact O-N 3.14Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.09Å; E32-D36 PolarHBondContact O-N 3.11Å
33N94.2Very high91.8Very high48 Ų4893.7 Ų93.726%0.25744%0.44SS..Hα-helixtrans-61.4-37.1177.9-73.414.8000113.1Y8 K29 H30 K35 D36 Y37Y8-N33 WeakPolarHBondContact O-CB 3.39Å; Y8-N33 PolarHBondContact O-ND2 3.47Å; K29-N33 WeakPolarHBondContact O-CB 3.38Å; K29-N33 VanDerWaalsContact O-CG 3.27Å; K29-N33 PolarHBondContact O-N 3.06Å; K29-N33 PolarHBondContact O-OD1 3.02Å; H30-N33 PolarHBondContact O-N 3.34Å; N33-K35 VanDerWaalsContact C-N 3.35Å; N33-D36 PolarHBondContact O-N 3.44Å; N33-Y37 VanDerWaalsContact O-CB 3.22Å; N33-Y37 WeakPolarHBondContact O-CB 3.28Å; N33-Y37 PolarHBondContact O-N 3.27Å
34V94.3Very high90.9Very high34 Ų3496.3 Ų96.321%0.20645%0.446CS..Hα-helixtrans-63.6-42.2174.71700000110.7Y8 H30 E32 Y38Y8-V34 HydrophobicContact CD1-CG2 3.92Å; Y8-V34 HydrophobicContact CD2-CG2 3.7Å; Y8-V34 HydrophobicContact CE1-CG2 4.37Å; Y8-V34 HydrophobicContact CE2-CG2 4.17Å; Y8-V34 HydrophobicContact CG-CG2 3.55Å; H30-V34 WeakPolarHBondContact O-CB 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.39Å; H30-V34 PolarHBondContact O-N 3.38Å; E32-V34 VanDerWaalsContact C-N 3.29Å; E32-V34 PolarHBondContact O-N 3.14Å; V34-Y38 HydrophobicContact CG1-CD2 4.09Å; V34-Y38 HydrophobicContact CG1-CE2 3.91Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 3.39Å
35K93.8Very high90.1Very high147 Ų14799.4 Ų99.464%0.63946%0.461SS*.Hα-helixtrans-63.9-49175.4-73.2174.5179.6-174.20111.3K31 E32 N33 Y37 Y38 Q39K31-K35 WeakPolarHBondContact O-CG 3.46Å; K31-K35 PolarHBondContact O-N 3.19Å; K31-K35 VanDerWaalsContact O-N 3.15Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact C-N 3.35Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 3.14Å; K35-Y38 PolarHBondContact O-N 3.16Å; K35-Q39 WeakPolarHBondContact O-CB 3.37Å; K35-Q39 PolarHBondContact O-N 3Å
36D92.2Very high89.2Confident80 Ų8099.2 Ų99.243%0.42846%0.463SS..Hα-helixtrans-61.7-36.1-179.8-71.3-5.2000111.9E32 N33 Q39 K40E32-D36 PolarHBondContact O-N 3.11Å; N33-D36 PolarHBondContact O-N 3.44Å; D36-Q39 PolarHBondContact O-N 2.86Å; D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.18Å; D36-K40 PolarHBondContact O-N 3.35Å
37Y92.4Very high88.4Confident128 Ų128100.6 Ų100.650%0.50246%0.463SS..Hα-helixtrans-59.2-50.7174.7176.3-94.4000111.3Y8 N33 K35 W41Y8-Y37 HydrophobicContact CD1-CD1 4.41Å; Y8-Y37 HydrophobicContact CD1-CG 4.19Å; Y8-Y37 AromaticContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CE1 4.3Å; Y8-Y37 HydrophobicContact CE1-CG 4.21Å; N33-Y37 VanDerWaalsContact O-CB 3.22Å; N33-Y37 WeakPolarHBondContact O-CB 3.28Å; N33-Y37 PolarHBondContact O-N 3.27Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 3.14Å; Y37-W41 WeakPolarHBondContact O-CB 3.17Å; Y37-W41 PolarHBondContact O-N 2.86Å
38Y90.7Very high87.6Confident115 Ų115101.8 Ų101.845%0.45147%0.467SS..Hα-helixtrans-71.5-31.9178.4-72.6-65.3000112.9V34 K35 W41 M42V34-Y38 HydrophobicContact CG1-CD2 4.09Å; V34-Y38 HydrophobicContact CG1-CE2 3.91Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 3.39Å; K35-Y38 PolarHBondContact O-N 3.16Å; Y38-W41 HydrophobicContact CD1-CE3 4.46Å; Y38-W41 PolarHBondContact O-N 2.89Å; Y38-M42 WeakPolarHBondContact O-CG 3.39Å; Y38-M42 PolarHBondContact O-N 3.12Å; Y38-M42 VanDerWaalsContact O-N 3.14Å
39Q88.9Confident86.7Confident120 Ų12098 Ų9856%0.56146%0.46SS*.Hα-helixtrans-60.6-53.2173.9-173.697.449.700110.7K35 D36 W41 M42 E43K35-Q39 WeakPolarHBondContact O-CB 3.37Å; K35-Q39 PolarHBondContact O-N 3Å; D36-Q39 PolarHBondContact O-N 2.86Å; Q39-W41 VanDerWaalsContact C-N 3.29Å; Q39-W41 PolarHBondContact O-N 3.12Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; Q39-E43 PolarHBondContact O-N 3.26Å; Q39-E43 VanDerWaalsContact O-N 3.09Å
40K87.5Confident85.9Confident133 Ų13396.1 Ų96.158%0.57846%0.456SS*.Hα-helixtrans-62.4-36.8178-72172.3-177.21730112.1D36 M42 E43 E44D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.18Å; D36-K40 PolarHBondContact O-N 3.35Å; K40-M42 VanDerWaalsContact C-N 3.28Å; K40-M42 PolarHBondContact O-N 3.45Å; K40-E43 PolarHBondContact O-N 2.92Å; K40-E44 WeakPolarHBondContact O-CB 3.43Å; K40-E44 PolarHBondContact O-N 3.41Å
41W88.3Confident85.2Confident119 Ų11999.1 Ų99.145%0.45147%0.472SS..Hα-helixtrans-61.7-36.9176-177.264.7000112.5Y37 Y38 Q39 Q45Y37-W41 WeakPolarHBondContact O-CB 3.17Å; Y37-W41 PolarHBondContact O-N 2.86Å; Y38-W41 HydrophobicContact CD1-CE3 4.46Å; Y38-W41 PolarHBondContact O-N 2.89Å; Q39-W41 VanDerWaalsContact C-N 3.29Å; Q39-W41 PolarHBondContact O-N 3.12Å; W41-Q45 PolarHBondContact O-N 3.26Å; W41-Q45 VanDerWaalsContact O-N 3.17Å
42M82.6Confident84.2Confident110 Ų110100.1 Ų100.154%0.54248%0.477SS..Hα-helixtrans-71-39.2174-65.2-60.9179.700112.3Y38 Q39 K40 E44 Q45 A46Y38-M42 WeakPolarHBondContact O-CG 3.39Å; Y38-M42 PolarHBondContact O-N 3.12Å; Y38-M42 VanDerWaalsContact O-N 3.14Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; K40-M42 VanDerWaalsContact C-N 3.28Å; K40-M42 PolarHBondContact O-N 3.45Å; M42-E44 VanDerWaalsContact C-N 3.35Å; M42-Q45 PolarHBondContact O-N 3.16Å; M42-A46 PolarHBondContact O-N 2.82Å
43E80.3Confident83.1Confident118 Ų11899.8 Ų99.855%0.55148%0.482SS*.Hα-helixtrans-62.8-40.4174.7-71.1174.4-176.800111.8Q39 K40 A46 Q47Q39-E43 PolarHBondContact O-N 3.26Å; Q39-E43 VanDerWaalsContact O-N 3.09Å; K40-E43 PolarHBondContact O-N 2.92Å; E43-A46 PolarHBondContact O-N 3.31Å; E43-Q47 WeakPolarHBondContact O-CB 3.17Å; E43-Q47 PolarHBondContact O-N 3.04Å
44E76.4Confident82.1Confident143 Ų143100.4 Ų100.467%0.66849%0.487SS*.Hα-helixtrans-65.8-39.7177.1-167.2-178.613100111.9K40 M42 Q47 S48K40-E44 WeakPolarHBondContact O-CB 3.43Å; K40-E44 PolarHBondContact O-N 3.41Å; M42-E44 VanDerWaalsContact C-N 3.35Å; E44-Q47 PolarHBondContact O-N 3.45Å; E44-S48 PolarHBondContact O-N 3.47Å
45Q75.3Confident80.9Confident102 Ų102100.7 Ų100.748%0.47749%0.493SS..Hα-helixtrans-63.3-41.1172.2-84.5-148.288.500112.3W41 M42 S48 L49W41-Q45 PolarHBondContact O-N 3.26Å; W41-Q45 VanDerWaalsContact O-N 3.17Å; M42-Q45 PolarHBondContact O-N 3.16Å; Q45-S48 PolarHBondContact O-N 2.86Å; Q45-L49 WeakPolarHBondContact O-CG 3.3Å; Q45-L49 PolarHBondContact O-N 2.9Å
46A72.9Confident79.5Confident49 Ų4995.5 Ų95.541%0.40548%0.478SS..Hα-helixtrans-63.6-42.6175.300000111.3M42 E43 S48 L49 I50M42-A46 PolarHBondContact O-N 2.82Å; E43-A46 PolarHBondContact O-N 3.31Å; A46-S48 PolarHBondContact O-N 3.3Å; A46-L49 WeakPolarHBondContact O-CB 3.38Å; A46-L49 PolarHBondContact O-N 3.46Å; A46-I50 WeakPolarHBondContact O-CG1 3.1Å; A46-I50 PolarHBondContact O-N 3.05Å
47Q78.1Confident78Confident92 Ų9297 Ų9743%0.4348%0.48SS..Hα-helixtrans-64.2-41.5177.7-167.560.952.800111.6E43 E44 L49 I50 D51E43-Q47 WeakPolarHBondContact O-CB 3.17Å; E43-Q47 PolarHBondContact O-N 3.04Å; E44-Q47 PolarHBondContact O-N 3.45Å; Q47-L49 PolarHBondContact O-N 3.36Å; Q47-I50 PolarHBondContact O-N 3.15Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; Q47-D51 PolarHBondContact NE2-OD1 2.6Å; Q47-D51 WeakPolarHBondContact O-CB 3.17Å; Q47-D51 PolarHBondContact O-N 3.05Å
48S77.4Confident76.7Confident48 Ų4898.1 Ų98.134%0.33649%0.49SS..Hα-helixtrans-57.7-37.1174.5-173.40000112.5E44 Q45 A46 K52E44-S48 PolarHBondContact O-N 3.47Å; Q45-S48 PolarHBondContact O-N 2.86Å; A46-S48 PolarHBondContact O-N 3.3Å; S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CD 3.41Å; S48-K52 VanDerWaalsContact O-CG 3.22Å; S48-K52 WeakPolarHBondContact O-CG 3.33Å; S48-K52 PolarHBondContact O-N 3.02Å; S48-K52 VanDerWaalsContact O-N 3.15Å; S48-K52 PolarHBondContact OG-NZ 3.26Å; S48-K52 VanDerWaalsContact OG-NZ 3.17Å
49L75Confident75.3Confident112 Ų11299.2 Ų99.259%0.58650%0.5SS*.Hα-helixtrans-71.2-39.7176-69.6169.5000112.1Q45 A46 Q47 T53Q45-L49 WeakPolarHBondContact O-CG 3.3Å; Q45-L49 PolarHBondContact O-N 2.9Å; A46-L49 WeakPolarHBondContact O-CB 3.38Å; A46-L49 PolarHBondContact O-N 3.46Å; Q47-L49 PolarHBondContact O-N 3.36Å; L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 PolarHBondContact O-N 2.96Å; L49-T53 PolarHBondContact O-OG1 2.87Å
50I78.4Confident73.8Confident87 Ų8796.5 Ų96.545%0.44650%0.504SS..Hα-helixtrans-64.2-45.2176-66.8164.9000110.3A46 Q47 K52 T53 T54A46-I50 WeakPolarHBondContact O-CG1 3.1Å; A46-I50 PolarHBondContact O-N 3.05Å; Q47-I50 PolarHBondContact O-N 3.15Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; I50-K52 PolarHBondContact O-N 3.28Å; I50-T53 PolarHBondContact O-N 3.39Å; I50-T54 VanDerWaalsContact O-CB 3.32Å; I50-T54 WeakPolarHBondContact O-CB 3.43Å; I50-T54 PolarHBondContact O-N 3.39Å; I50-T54 PolarHBondContact O-OG1 3.27Å
51D80.7Confident72.2Confident87 Ų8798.7 Ų98.747%0.46551%0.513SS..Hα-helixtrans-64.1-41.9-179.4-65.7-17.3000111.2Q47 T53 T54 A55Q47-D51 PolarHBondContact NE2-OD1 2.6Å; Q47-D51 WeakPolarHBondContact O-CB 3.17Å; Q47-D51 PolarHBondContact O-N 3.05Å; D51-T53 PolarHBondContact O-N 2.89Å; D51-T54 PolarHBondContact O-N 3.03Å; D51-A55 WeakPolarHBondContact O-CB 3.13Å; D51-A55 PolarHBondContact O-N 3.35Å
52K74.7Confident70.7Confident134 Ų13497.2 Ų97.258%0.58351%0.513SS*.Hα-helixtrans-62.3-42.8174.2-74.2166.6-176.3156.40112.2S48 I50 A56S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CD 3.41Å; S48-K52 VanDerWaalsContact O-CG 3.22Å; S48-K52 WeakPolarHBondContact O-CG 3.33Å; S48-K52 PolarHBondContact O-N 3.02Å; S48-K52 VanDerWaalsContact O-N 3.15Å; S48-K52 PolarHBondContact OG-NZ 3.26Å; S48-K52 VanDerWaalsContact OG-NZ 3.17Å; I50-K52 PolarHBondContact O-N 3.28Å; K52-A56 VanDerWaalsContact O-CB 3.32Å; K52-A56 WeakPolarHBondContact O-CB 3.49Å; K52-A56 PolarHBondContact O-N 2.91Å
53T71Confident69.3Low90 Ų9096.6 Ų96.655%0.55252%0.518SS*.Hα-helixtrans-69.5-41.2179.9-55.10000111.4L49 I50 D51 A56 F57L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 PolarHBondContact O-N 2.96Å; L49-T53 PolarHBondContact O-OG1 2.87Å; I50-T53 PolarHBondContact O-N 3.39Å; D51-T53 PolarHBondContact O-N 2.89Å; T53-A56 PolarHBondContact O-N 3.47Å; T53-F57 WeakPolarHBondContact O-CB 3.28Å; T53-F57 PolarHBondContact O-N 3.18Å
54T72.4Confident68Low61 Ų6195.8 Ų95.837%0.37452%0.523SS..Hα-helixtrans-71.6-36.2179.1-49.10000111.3I50 D51 F57 Q58I50-T54 VanDerWaalsContact O-CB 3.32Å; I50-T54 WeakPolarHBondContact O-CB 3.43Å; I50-T54 PolarHBondContact O-N 3.39Å; I50-T54 PolarHBondContact O-OG1 3.27Å; D51-T54 PolarHBondContact O-N 3.03Å; T54-F57 PolarHBondContact O-N 3.15Å; T54-Q58 WeakPolarHBondContact O-CB 3.41Å; T54-Q58 WeakPolarHBondContact O-CG 3.34Å; T54-Q58 PolarHBondContact O-N 2.82Å; T54-Q58 PolarHBondContact O-NE2 2.77Å
55A70.9Confident67.2Low39 Ų3994.7 Ų94.732%0.32253%0.526SS..Hα-helixtrans-66.5-41.8171.900000111.6D51 F57 Q58 Q59D51-A55 WeakPolarHBondContact O-CB 3.13Å; D51-A55 PolarHBondContact O-N 3.35Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3Å; A55-Q58 PolarHBondContact O-N 3.42Å; A55-Q59 WeakPolarHBondContact O-CB 3.26Å; A55-Q59 WeakPolarHBondContact O-CG 3.29Å; A55-Q59 PolarHBondContact O-N 3.21Å
56A62.5Low65.8Low39 Ų3995 Ų9532%0.32254%0.537SS..Hα-helixtrans-65.5-34.3174.700000112.8K52 T53K52-A56 VanDerWaalsContact O-CB 3.32Å; K52-A56 WeakPolarHBondContact O-CB 3.49Å; K52-A56 PolarHBondContact O-N 2.91Å; T53-A56 PolarHBondContact O-N 3.47Å
57F62Low64.8Low110 Ų110102.1 Ų102.148%0.48256%0.559SS.*Hα-helixtrans-70.1-44.4174.2-170.4-100.2000112T53 T54 A55 Q59 G60 I62T53-F57 WeakPolarHBondContact O-CB 3.28Å; T53-F57 PolarHBondContact O-N 3.18Å; T54-F57 PolarHBondContact O-N 3.15Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.91Å; F57-G60 PolarHBondContact O-N 3Å; F57-G60 VanDerWaalsContact O-N 3.09Å; F57-I62 HydrophobicContact CD2-CB 4.35Å
58Q64.2Low63.4Low153 Ų153102.5 Ų102.572%0.71557%0.569SS**Hα-helixtrans-66.3-28.3175-79.1175.387.700113.2T54 A55 G60T54-Q58 WeakPolarHBondContact O-CB 3.41Å; T54-Q58 WeakPolarHBondContact O-CG 3.34Å; T54-Q58 PolarHBondContact O-N 2.82Å; T54-Q58 PolarHBondContact O-NE2 2.77Å; A55-Q58 PolarHBondContact O-N 3.42Å; Q58-G60 PolarHBondContact O-N 3.19Å; Q58-G60 VanDerWaalsContact O-N 3.15Å
59Q61.1Low62.4Low138 Ų138104.2 Ų104.265%0.64560%0.595SS**THydrogen-bonded Turntrans-71.84.5172.3-74.8173.47.100113.5A55 F57 K61A55-Q59 WeakPolarHBondContact O-CB 3.26Å; A55-Q59 WeakPolarHBondContact O-CG 3.29Å; A55-Q59 PolarHBondContact O-N 3.21Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.91Å; Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.03Å
60G57.7Low61.6Low63 Ų63101.4 Ų101.465%0.64959%0.593SS**THydrogen-bonded Turntrans70.618.1165.200000115.3F57 Q58F57-G60 PolarHBondContact O-N 3Å; F57-G60 VanDerWaalsContact O-N 3.09Å; Q58-G60 PolarHBondContact O-N 3.19Å; Q58-G60 VanDerWaalsContact O-N 3.15Å
61K55.2Low60.4Low179 Ų179103.1 Ų103.178%0.77861%0.61SS**  trans-91.43.8178.4-70.4-177.1-179.3173.30114.4Q59Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.03Å
62I54.9Low59.4Low87 Ų87104.4 Ų104.445%0.44662%0.623SS.*SBendtrans-131.7114.1177.1-41171.7000107.4F57F57-I62 HydrophobicContact CD2-CB 4.35Å
63P53.3Low58.5Low98 Ų98104.3 Ų104.364%0.63664%0.635SS**  trans-62.6139.2176.724.9-31.8000109.9T65P63-T65 PolarHBondContact O-N 2.93Å
64P53.8Low57.8Low101 Ų101102.8 Ų102.866%0.65664%0.638SS**SBendtrans-64.3105.4167.127-30.9000108.2
65T58.8Low57.5Low120 Ų120104.8 Ų104.874%0.73665%0.652SS**  trans66.2138.7166.155.60000118.8P63P63-T65 PolarHBondContact O-N 2.93Å
66P47.5Very low56.6Low109 Ų109108.7 Ų108.771%0.70867%0.674SS**  trans-130.978.4134.536-22000109.4P68P66-P68 VanDerWaalsContact CA-CD 3.48Å; P66-P68 WeakPolarHBondContact O-CD 3.47Å
67F51.5Low56.4Low197 Ų197117.2 Ų117.286%0.86470%0.698SS**  trans-107.972.8145.2-86.9-77.3000108.4
68P49Very low55.6Low101 Ų101118.4 Ų118.466%0.65672%0.717SS**  trans-71.8142.1140.134.6-26.6000106.9P66P66-P68 VanDerWaalsContact CA-CD 3.48Å; P66-P68 WeakPolarHBondContact O-CD 3.47Å
69G55.5Low54.9Low84 Ų84114 Ų11487%0.86671%0.712SS**SBendtrans-52.2146.7-16500000115.8
70G58.1Low54.7Low53 Ų53116.5 Ų116.555%0.54673%0.726SS.*SBendtrans121.1134.2163.700000113.1
71P53.4Low54.7Low123 Ų123120.8 Ų120.880%0.79973%0.733SS**  trans-59143.3167.526.5-32.2000109.4
72P59.4Low54.7Low114 Ų114118 Ų11874%0.7473%0.734SS**  trans-59.1142.6-178.124.3-33.3000110.4G74P72-G74 PolarHBondContact O-N 3.5Å
73P55.5Low54.8Low131 Ų131120 Ų12085%0.85175%0.75SS**  trans-62.1108.1175.226-31.8000107.8
74G57.3Low55Low59 Ų59120.7 Ų120.761%0.60875%0.754SS**  trans-61.3148.7178.300000110.6P72P72-G74 PolarHBondContact O-N 3.5Å
75P66.8Low55.2Low102 Ų102121.5 Ų121.566%0.66276%0.76SS**  trans-61.8140.6168.825.1-30.8000109.5R77P75-R77 PolarHBondContact O-N 3.42Å
76P52Low55Low121 Ų121125 Ų12579%0.78677%0.77SS**  trans-65.2111.3174.527.8-30.4000106.7P78P76-P78 WeakPolarHBondContact O-CD 3.24Å
77R56.6Low55.1Low218 Ų218123.1 Ų123.182%0.82377%0.771SS**  trans-76.8110.6175.9-66.8178.7-178.6-89.70.4107.6P75 G79P75-R77 PolarHBondContact O-N 3.42Å; R77-G79 PolarHBondContact O-N 2.93Å
78P46.1Very low55.6Low135 Ų135116.9 Ų116.988%0.87776%0.762SS**SBendtrans-76.2109.7170-5.927000106.4P76P76-P78 WeakPolarHBondContact O-CD 3.24Å
79G50.5Low56.2Low60 Ų60118.1 Ų118.162%0.61977%0.77SS**  trans140.858.7-178.900000113.5R77 L81R77-G79 PolarHBondContact O-N 2.93Å; G79-L81 VanDerWaalsContact C-N 3.34Å; G79-L81 PolarHBondContact O-N 2.97Å
80M55Low56.1Low191 Ų191119.7 Ų119.794%0.94177%0.765SS**  trans-61.7101.6153.1-73.317085.900107.4
81L59.6Low56.3Low153 Ų153125.8 Ų125.880%0.80178%0.781SS**  trans-97.1123.8148.5-80.1115.6000106.7G79 T83G79-L81 VanDerWaalsContact C-N 3.34Å; G79-L81 PolarHBondContact O-N 2.97Å; L81-T83 PolarHBondContact O-N 2.98Å; L81-T83 VanDerWaalsContact O-N 3.12Å
82P53.8Low56.6Low121 Ų121128 Ų12879%0.78678%0.783SS**  trans-66.9112.617525.9-30.2000108.6P84P82-P84 VanDerWaalsContact O-CD 3.28Å; P82-P84 WeakPolarHBondContact O-CD 3.4Å
83T57.3Low56.4Low130 Ų130128.4 Ų128.480%0.79879%0.786SS**PPolyproline II helixtrans-65118.9170.7-29.90000108L81L81-T83 PolarHBondContact O-N 2.98Å; L81-T83 VanDerWaalsContact O-N 3.12Å
84P57Low56.6Low111 Ų111131 Ų13172%0.72179%0.789SS**PPolyproline II helixtrans-63.8138.617423-30.2000110P82P82-P84 VanDerWaalsContact O-CD 3.28Å; P82-P84 WeakPolarHBondContact O-CD 3.4Å
85P58.9Low56.5Low118 Ų118137.1 Ų137.177%0.76680%0.804SS**PPolyproline II helixtrans-77.8126.6177.132.1-28.8000107.3
86M54.3Low56Low193 Ų193134.4 Ų134.495%0.95180%0.795SS**  trans175.4129.1155-101.3-69.4-154.100112.3
87G49.2Very low56.5Low71 Ų71134.7 Ų134.773%0.73280%0.796SS**  trans100.282.6138.800000116.1
88G62.5Low56.6Low66 Ų66130.1 Ų130.168%0.6880%0.795SS**PPolyproline II helixtrans-58.8161.6155.900000111.5
89P61.3Low57.1Low126 Ų126129.7 Ų129.782%0.81879%0.792SS**PPolyproline II helixtrans-61.1142.5-178.723.9-31.8000111.3M91P89-M91 PolarHBondContact O-N 3.31Å; P89-M91 VanDerWaalsContact O-N 3.15Å
90P54.3Low57.1Low118 Ų118136.5 Ų136.577%0.76681%0.807SS**PPolyproline II helixtrans-65.1117.6-176.125.2-32.3000110.7M92P90-M92 PolarHBondContact O-N 3.31Å
91M60.8Low56.9Low180 Ų180130.6 Ų130.689%0.88780%0.795SS**PPolyproline II helixtrans-59.1116.3162.757.9-163.2177.700109.5P89P89-M91 PolarHBondContact O-N 3.31Å; P89-M91 VanDerWaalsContact O-N 3.15Å
92M61.1Low56.4Low170 Ų170133 Ų13384%0.83781%0.805SS**PPolyproline II helixtrans-70.9136.9176-67-72.3-82.800109.9P90 M94P90-M92 PolarHBondContact O-N 3.31Å; M92-M94 PolarHBondContact O-N 2.98Å
93P55.1Low56.3Low122 Ų122134.9 Ų134.979%0.79281%0.805SS**PPolyproline II helixtrans-68.7134.2179.6-16.429.8000112.3M95P93-M95 PolarHBondContact O-N 2.88Å; P93-M95 VanDerWaalsContact O-N 3.13Å
94M59.7Low56Low185 Ų185134.8 Ų134.891%0.91181%0.807SS**  trans-47.9104.7166.4-177.5-168.2171.100112.3M92M92-M94 PolarHBondContact O-N 2.98Å
95M54.4Low55.5Low189 Ų189132.4 Ų132.493%0.93180%0.803SS**  trans-98.3103.5166-161.3109.6160.600107.6P93P93-M95 PolarHBondContact O-N 2.88Å; P93-M95 VanDerWaalsContact O-N 3.13Å
96G55.9Low54.5Low45 Ų45130.3 Ų130.346%0.46480%0.802SS.*PPolyproline II helixtrans-60.3167.2-177.400000114.2
97P63.4Low54Low126 Ų126127.6 Ų127.682%0.81880%0.799SS**PPolyproline II helixtrans-67139.3-175.226.8-33.2000111.7
98P59.3Low53.7Low122 Ų122128.3 Ų128.379%0.79281%0.806SS**PPolyproline II helixtrans-69.9149.3176.524.7-28000111.8
99P55.7Low52.8Low126 Ų126128.3 Ų128.382%0.81881%0.807SS**PPolyproline II helixtrans-74.8142.8-161.829-34.7000113.5
100H51.5Low52.1Low204 Ų204131.5 Ų131.594%0.94481%0.813SS**PPolyproline II helixtrans-61128.6160.8-120.166.7000110.1
101G49Very low51.8Low67 Ų67137.1 Ų137.169%0.69182%0.819SS**  trans132101.9153.500000116
102M49.1Very low51.5Low202 Ų202134 Ų134100%0.99581%0.812SS**  trans-162.8113.7145.9-103.1163.5178.700108.5
103M52.4Low51.2Low162 Ų162132 Ų13280%0.79881%0.812SS**  trans-107.9148.6178.7-154.4-109165.100108.5
104P50.7Low51.3Low127 Ų127135.4 Ų135.483%0.82582%0.819SS**  -151.9133.210631.7-11.1000112.7
105G46.9Very low50.6Low62 Ų62130 Ų13064%0.63981%0.81SS**  10298.172.400000109.5
106G38.7Very low50.3Low73 Ų73124.5 Ų124.575%0.75380%0.803SS**  trans-151.5136.5175.500000111.9
107P43.4Very low49.8Very low136 Ų136128.5 Ų128.588%0.88382%0.821SS**  trans-100.7146.2-152.436.3-30.7000114.8
108G42.1Very low49.2Very low86 Ų86130.7 Ų130.789%0.88782%0.822SS**  trans102.8139148.400000116.6
109G43.4Very low49Very low67 Ų67134.2 Ų134.269%0.69183%0.828SS**  trans130.180.5153.100000117
110M47.6Very low48.9Very low192 Ų192135.9 Ų135.995%0.94683%0.826SS**  64.3113.3129.9-62.3154.3173.600120.2
111R47.2Very low49.3Very low237 Ų237134.1 Ų134.189%0.89482%0.821SS**  trans-70.7174.8147.5-52.516287.7-153.28.5108.8
112P55.5Low49.3Very low113 Ų113136.5 Ų136.573%0.73482%0.824SS**  -116.5-168.6-5636.6-19.2000110.9
113P55.4Low49.6Very low129 Ų129129.2 Ų129.284%0.83880%0.801SS**  -138.6145.4103.235.6-23000115.3
114M56.2Low50.1Low194 Ų194127.6 Ų127.696%0.95680%0.802SS**  trans-59.5129.9160.1-175.5-160.4-162.700110.3
115G44.8Very low50.3Low70 Ų70127.3 Ų127.372%0.72280%0.801SS**  trans177.8114.417200000111.2
116G48.1Very low50.8Low75 Ų75133.5 Ų133.577%0.77381%0.812SS**  trans-64.7-180-169.600000116.1
117P45.9Very low51.5Low129 Ų129139 Ų13984%0.83882%0.821SS**  -129.7147.492.719.8-2.5000113.3Q119P117-Q119 PolarHBondContact O-N 3.48Å
118M50.8Low51.8Low171 Ų171140.2 Ų140.284%0.84282%0.817SS**  trans-47129.3169.7-82.7-175.2171.600111.2M120M118-M120 VanDerWaalsContact C-N 3.26Å; M118-M120 PolarHBondContact O-N 3.36Å
119Q55.9Low52Low196 Ų196146 Ų14692%0.91681%0.812SS**  trans-70.386.6158.3-65.3178.469.300108P117 M121P117-Q119 PolarHBondContact O-N 3.48Å; Q119-M121 PolarHBondContact O-N 3.02Å
120M53.5Low52.5Low161 Ų161150 Ų15079%0.79381%0.812SS**  trans-84.9101.2157.6-83-169.1143.800106.9M118 P122M118-M120 VanDerWaalsContact C-N 3.26Å; M118-M120 PolarHBondContact O-N 3.36Å; M120-P122 WeakPolarHBondContact O-CD 3.2Å
121M59.2Low52.8Low167 Ų167146.8 Ų146.882%0.82381%0.806SS**  trans-63.8116.6157.3-79.2-117.578.300107.7Q119 G123Q119-M121 PolarHBondContact O-N 3.02Å; M121-G123 PolarHBondContact O-N 3.09Å; M121-G123 VanDerWaalsContact O-N 3.11Å
122P48.4Very low53.3Low117 Ų117144.6 Ų144.676%0.7680%0.798SS**  trans-69.9108.9157.5-524.2000105.2M120M120-P122 WeakPolarHBondContact O-CD 3.2Å
123G54.9Low53.2Low50 Ų50145 Ų14552%0.51580%0.8SS.*PPolyproline II helixtrans-52.4155.8168.800000110.5M121M121-G123 PolarHBondContact O-N 3.09Å; M121-G123 VanDerWaalsContact O-N 3.11Å
124P63.1Low53.2Low127 Ų127146.9 Ų146.983%0.82580%0.8SS**PPolyproline II helixtrans-54.5128.2-179.6-19.730.5000109.3H126P124-H126 PolarHBondContact O-N 3.49Å
125P56.2Low53.2Low121 Ų121145.5 Ų145.579%0.78679%0.793SS**PPolyproline II helixtrans-58.7130.3173.721.2-28.7000108.3M127P125-M127 PolarHBondContact O-N 2.87Å
126H55.8Low53.6Low192 Ų192149.4 Ų149.489%0.88979%0.794SS**  trans-34.6125.4168.9-96.7-50.8000110.5P124 M128P124-H126 PolarHBondContact O-N 3.49Å; H126-M128 VanDerWaalsContact C-N 3.26Å; H126-M128 PolarHBondContact O-N 3.22Å
127M53.6Low54.1Low188 Ų188151.6 Ų151.693%0.92680%0.795SS**  trans-60.592.7169.4-64.7-166.6-161.900108.6P125 R129P125-M127 PolarHBondContact O-N 2.87Å; M127-R129 PolarHBondContact O-N 3.22Å
128M49.9Very low54.6Low163 Ų163151.9 Ų151.980%0.80379%0.794SS**  trans-68.984.4161.7-166.465.7164.900106.3H126 H130H126-M128 VanDerWaalsContact C-N 3.26Å; H126-M128 PolarHBondContact O-N 3.22Å; M128-H130 VanDerWaalsContact C-N 3.33Å; M128-H130 PolarHBondContact O-N 3.15Å; M128-H130 PolarHBondContact O-ND1 3.3Å
129R47.6Very low54.9Low207 Ų207154.6 Ų154.678%0.78180%0.795SS**  trans-58.999.5173.6-158.6178-165.1-88.65.7105.9M127M127-R129 PolarHBondContact O-N 3.22Å
130H53.2Low54.5Low151 Ų151151.7 Ų151.770%0.69979%0.793SS**  trans-54.4134.5172.3-71.857.7000107.3M128 R132M128-H130 VanDerWaalsContact C-N 3.33Å; M128-H130 PolarHBondContact O-N 3.15Å; M128-H130 PolarHBondContact O-ND1 3.3Å; H130-R132 PolarHBondContact O-N 3.29Å
131P53.6Low54.5Low125 Ų125147.3 Ų147.381%0.81279%0.789SS**  trans-61.8108.3171.223.9-29000106.9
132R57.7Low54.2Low191 Ų191148.4 Ų148.472%0.72179%0.794SS**  trans-52.5128.4167.4-74.7179.2144-159.5-6.3107.1H130 M134H130-R132 PolarHBondContact O-N 3.29Å; R132-M134 PolarHBondContact O-N 3.11Å; R132-M134 VanDerWaalsContact O-N 3.11Å
133P53Low54.5Low122 Ų122149.3 Ų149.379%0.79280%0.798SS**  trans-61.5121.1165.425.3-29.2000106.8M135P133-M135 PolarHBondContact O-N 3.5Å
134M56Low54.6Low167 Ų167158.1 Ų158.182%0.82382%0.815SS**  trans-54.1105.7170.3-73-93.5-134.100107.8R132 M136R132-M134 PolarHBondContact O-N 3.11Å; R132-M134 VanDerWaalsContact O-N 3.11Å; M134-M136 PolarHBondContact O-N 3.13Å
135M55.1Low54.5Low165 Ų165158 Ų15881%0.81382%0.815SS**  trans-61.599.3164.545-161.7164.400108P133P133-M135 PolarHBondContact O-N 3.5Å
136M54.7Low54.4Low153 Ų153160.2 Ų160.275%0.75482%0.82SS**  trans-62.6129.5167-69.5-71.115800107.9M134 V138M134-M136 PolarHBondContact O-N 3.13Å; M136-V138 PolarHBondContact O-N 3.48Å
137P57.5Low54.1Low121 Ų121165.8 Ų165.879%0.78683%0.833SS**  trans-66.7103.4169.324.7-28.5000108R139P137-R139 PolarHBondContact O-N 2.99Å
138V56.2Low54.1Low135 Ų135164.7 Ų164.782%0.81883%0.828SS**PPolyproline II helixtrans-66.2117.9168.680.90000107M136M136-V138 PolarHBondContact O-N 3.48Å
139R56.7Low54.3Low227 Ų227164.8 Ų164.886%0.85783%0.83SS**PPolyproline II helixtrans-63.9130.9176-71.2168.5145.3-108.5-1.3108.5P137 G141P137-R139 PolarHBondContact O-N 2.99Å; R139-G141 PolarHBondContact O-N 3.35Å
140P49.1Very low54.7Low136 Ų136162.4 Ų162.488%0.88383%0.832SS**SBendtrans-73.3120.7169.4-8.524.5000108.5
141G53.5Low54.8Low68 Ų68163.1 Ų163.170%0.70184%0.84SS**  trans140.590.5166.100000113.6R139R139-G141 PolarHBondContact O-N 3.35Å
142M52.1Low54.9Low190 Ų190165.5 Ų165.594%0.93684%0.842SS**  trans-158.8108.6138.8-107.6161.1166.600108.8
143V54.9Low54.7Low137 Ų137163.8 Ų163.883%0.8385%0.85SS**PPolyproline II helixtrans-51.4132.4172172.80000109.9
144R56.7Low54.8Low235 Ų235166.8 Ų166.889%0.88785%0.854SS**PPolyproline II helixtrans-74.1134.4164.9-59.8175.169.2-155.9-0.3108.6
145P61.9Low54.7Low125 Ų125166.8 Ų166.881%0.81286%0.857SS**PPolyproline II helixtrans-98135.215224.7-11.7000110.5
146D52.8Low54.7Low167 Ų167166.9 Ų166.989%0.89386%0.86SS**PPolyproline II helixtrans-57.4133.3171.2-167.7-105.4000112.2
147R50Low54.7Low309 Ų309168.2 Ų168.2100%1.16687%0.87SS**  trans-163.10149.4-157176.5-176.4-177.81.3111.3

Retrieved 147 of 147 residues in 49.5 ms (Link to these results)