A0A060WW89_ONCMY 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 (A0A4W5MUI5), UniProt , Accession A0A060WW89, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ru1c, Length 157 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M62.8Low85.2Confident215 Ų21590.5 Ų90.5100%1.05945%0.452SS*.  0115.30-147.881.885.900107.7K3M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.15Å
2P70.2Confident85.5Confident107 Ų10796.4 Ų96.470%0.69547%0.467SS*.PPolyproline II helixtrans-62.8117.3177.924.7-30.1000108.8D16P2-D16 WeakPolarHBondContact O-CB 3.48Å
3K79.1Confident85.8Confident151 Ų15190.7 Ų90.766%0.65744%0.44SS*.PPolyproline II helixtrans-99.2122.9173-67.8-179.8179.8177.70106.5M1 Y5 Y12M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-Y5 PolarHBondContact O-N 3.26Å; K3-Y12 HydrophobicContact CB-CD1 4.49Å
4F85.9Confident85.6Confident60 Ų6093 Ų9326%0.26346%0.463SS..PPolyproline II helixtrans-73.3125.9174.9176.3-95.5000109.5C6 L13 D16 R21F4-C6 HydrophobicContact CE1-CB 4Å; F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.47Å; F4-L13 HydrophobicContact CD1-CB 4.12Å; F4-L13 HydrophobicContact CD1-CD2 3.94Å; F4-L13 WeakPolarHBondContact O-CB 3.17Å; F4-L13 PolarHBondContact O-N 3.1Å; F4-D16 HydrophobicContact CB-CB 4.21Å; F4-D16 WeakPolarHBondContact CB-OD1 3.39Å; F4-R21 HydrophobicContact CB-CG 4.42Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 VanDerWaalsContact CD2-CD 3.48Å; F4-R21 HydrophobicContact CD2-CG 4.13Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.39Å; F4-R21 HydrophobicContact CG-CG 3.95Å; F4-R21 HydrophobicContact CZ-CG 4.47Å
5Y90.3Very high85.3Confident75 Ų7595.7 Ų95.729%0.29447%0.473SS..EExtended strand (participates in β ladder)trans-105.2139.1170.9-179.2-104.7000108.7K3 D10 T11 Y12K3-Y5 PolarHBondContact O-N 3.26Å; Y5-D10 WeakPolarHBondContact OH-CA 3.31Å; Y5-D10 PolarHBondContact OH-OD1 2.97Å; Y5-D10 VanDerWaalsContact OH-OD1 3.05Å; Y5-T11 WeakPolarHBondContact CD2-O 3.36Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD2 4.01Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.88Å; Y5-Y12 HydrophobicContact CD2-CE2 3.88Å; Y5-Y12 AromaticContact CD2-CG 3.94Å; Y5-Y12 HydrophobicContact CD2-CG 3.94Å; Y5-Y12 AromaticContact CD2-CZ 3.69Å; Y5-Y12 HydrophobicContact CE2-CD2 4.31Å; Y5-Y12 HydrophobicContact CE2-CE1 4.48Å; Y5-Y12 HydrophobicContact CE2-CE2 4.01Å; Y5-Y12 HydrophobicContact CG-CD1 4.33Å; Y5-Y12 HydrophobicContact CG-CE1 4.08Å
6C92.4Very high85.2Confident5 Ų593.1 Ų93.13%0.03446%0.461CS..EExtended strand (participates in β ladder)trans-110.5111.6174.7176.20000109.7F4 Y8 C9 D10 T11 H24 H30F4-C6 HydrophobicContact CE1-CB 4Å; C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 3.41Å; C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 3.47Å; C6-D10 PolarHBondContact O-N 3.01Å; C6-T11 PolarHBondContact N-O 2.97Å; C6-T11 VanDerWaalsContact N-O 3.14Å; C6-H24 VanDerWaalsContact CB-NE2 3.26Å; C6-H24 WeakPolarHBondContact CB-NE2 3.46Å; C6-H24 PolarHBondContact SG-NE2 2.87Å; C6-H30 PolarHBondContact SG-CE1 2.85Å; C6-H30 PolarHBondContact SG-ND1 3.13Å
7D92.2Very high85.2Confident120 Ų12090.2 Ų90.264%0.64245%0.453SS*.THydrogen-bonded Turntrans-61.8-33.8-178.6-54.2-82.4000113C9D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.27Å
8Y90.9Very high85.2Confident85 Ų8590.1 Ų90.133%0.33346%0.459SS..THydrogen-bonded Turntrans-71.6-21177-55.8-66000113.7C6 H30 N33 V34 Y37C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 3.41Å; Y8-H30 AromaticContact CD2-CE1 3.68Å; Y8-N33 WeakPolarHBondContact O-CB 3.46Å; Y8-N33 PolarHBondContact O-ND2 3.03Å; Y8-V34 HydrophobicContact CD1-CG2 3.97Å; Y8-V34 HydrophobicContact CD2-CG2 3.63Å; Y8-V34 HydrophobicContact CE1-CG2 4.43Å; Y8-V34 HydrophobicContact CE2-CG2 4.11Å; Y8-V34 HydrophobicContact CG-CG2 3.53Å; Y8-Y37 HydrophobicContact CD1-CD1 4.34Å; Y8-Y37 HydrophobicContact CD1-CG 4.18Å; Y8-Y37 AromaticContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CE1 4.21Å; Y8-Y37 HydrophobicContact CE1-CG 4.22Å
9C92.2Very high85.3Confident9 Ų989.6 Ų89.66%0.06147%0.465CS..THydrogen-bonded Turntrans-108.9-10.1-174.4-69.50000112.5C6 D7 T11 H24C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 3.47Å; D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.27Å; C9-T11 HydrophobicContact CB-CG2 4.16Å; C9-T11 WeakPolarHBondContact O-CG2 3.16Å; C9-T11 PolarHBondContact O-N 2.88Å; C9-T11 VanDerWaalsContact O-N 3.14Å; C9-H24 PolarHBondContact SG-NE2 3.41Å
10D91.3Very high85.5Confident120 Ų12087.5 Ų87.564%0.64246%0.456SS*.THydrogen-bonded Turntrans47.332.9-167.9-65.4-39.4000113.8Y5 C6Y5-D10 WeakPolarHBondContact OH-CA 3.31Å; Y5-D10 PolarHBondContact OH-OD1 2.97Å; Y5-D10 VanDerWaalsContact OH-OD1 3.05Å; C6-D10 PolarHBondContact O-N 3.01Å
11T89.7Confident85.7Confident48 Ų4887.3 Ų87.329%0.29445%0.449SS..EExtended strand (participates in β ladder)trans-123140.9-175.770.30000112.7Y5 C6 C9Y5-T11 WeakPolarHBondContact CD2-O 3.36Å; C6-T11 PolarHBondContact N-O 2.97Å; C6-T11 VanDerWaalsContact N-O 3.14Å; C9-T11 HydrophobicContact CB-CG2 4.16Å; C9-T11 WeakPolarHBondContact O-CG2 3.16Å; C9-T11 PolarHBondContact O-N 2.88Å; C9-T11 VanDerWaalsContact O-N 3.14Å
12Y89.5Confident87.1Confident162 Ų16284.7 Ų84.764%0.63543%0.432SS*.EExtended strand (participates in β ladder)trans-83.1133.2165.9-67.5-82.3000111.1K3 Y5K3-Y12 HydrophobicContact CB-CD1 4.49Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD2 4.01Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.88Å; Y5-Y12 HydrophobicContact CD2-CE2 3.88Å; Y5-Y12 AromaticContact CD2-CG 3.94Å; Y5-Y12 HydrophobicContact CD2-CG 3.94Å; Y5-Y12 AromaticContact CD2-CZ 3.69Å; Y5-Y12 HydrophobicContact CE2-CD2 4.31Å; Y5-Y12 HydrophobicContact CE2-CE1 4.48Å; Y5-Y12 HydrophobicContact CE2-CE2 4.01Å; Y5-Y12 HydrophobicContact CG-CD1 4.33Å; Y5-Y12 HydrophobicContact CG-CE1 4.08Å
13L88.4Confident88.1Confident22 Ų2284 Ų8412%0.11543%0.426CS..  trans-84.2124.3172.8-15760.1000109.4F4 H15 V20 R21 H24F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.47Å; F4-L13 HydrophobicContact CD1-CB 4.12Å; F4-L13 HydrophobicContact CD1-CD2 3.94Å; F4-L13 WeakPolarHBondContact O-CB 3.17Å; F4-L13 PolarHBondContact O-N 3.1Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.32Å; L13-V20 HydrophobicContact CD1-CG1 3.78Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.54Å; L13-V20 HydrophobicContact CG-CG1 3.71Å; L13-R21 HydrophobicContact CD2-CG 4.01Å; L13-H24 HydrophobicContact CD1-CB 4.42Å
14T82.8Confident88.8Confident123 Ų12378.5 Ų78.576%0.75540%0.402SS*.SBendtrans-67.6-28.1-175.749.90000113
15H82.4Confident89Confident134 Ų13478.1 Ų78.162%0.6241%0.407SS*.SBendtrans-131.5112.9175.9-63.8-71.2000110.7L13 S17 V20L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.32Å; H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 3.36Å; H15-V20 HydrophobicContact CB-CG2 4.5Å; H15-V20 WeakPolarHBondContact O-CB 3.39Å; H15-V20 WeakPolarHBondContact O-CG1 3.24Å
16D82.3Confident89.2Confident53 Ų5377.5 Ų77.528%0.28341%0.413SS..  trans-85.769.2179.2-168.927.7000112.1P2 F4 R21P2-D16 WeakPolarHBondContact O-CB 3.48Å; F4-D16 HydrophobicContact CB-CB 4.21Å; F4-D16 WeakPolarHBondContact CB-OD1 3.39Å; D16-R21 VanDerWaalsContact OD1-CD 3.23Å; D16-R21 WeakPolarHBondContact OD1-CD 3.5Å; D16-R21 WeakPolarHBondContact OD1-CG 3.49Å; D16-R21 IonicContact OD1-CZ 3.32Å; D16-R21 IonicContact OD1-NE 3.56Å; D16-R21 IonicContact OD1-NH1 2.61Å; D16-R21 PolarHBondContact OD1-NH1 3.35Å; D16-R21 IonicContact OD2-NH1 2.85Å; D16-R21 PolarHBondContact OD2-NH1 3.18Å
17S86.1Confident89.2Confident45 Ų4578.4 Ų78.432%0.31542%0.424SS..  trans-103.2144.4171.4165.10000110H15 S19 V20 R21H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 3.36Å; S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 VanDerWaalsContact O-N 3.14Å; S17-S19 PolarHBondContact OG-N 3.24Å; S17-V20 PolarHBondContact O-N 2.85Å; S17-R21 PolarHBondContact O-N 3.49Å
18P85.3Confident89.3Confident88 Ų8881.9 Ų81.957%0.57143%0.428SS*.Hα-helixtrans-54.2-34177.120.2-32.1000112.9K22P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 3.47Å
19S86.3Confident89.4Confident81 Ų8183.9 Ų83.957%0.56644%0.438SS*.Hα-helixtrans-66-43.5174.1-560000111.8S17 K22 T23S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 VanDerWaalsContact O-N 3.14Å; S17-S19 PolarHBondContact OG-N 3.24Å; S19-K22 PolarHBondContact O-N 2.8Å; S19-T23 WeakPolarHBondContact O-CG2 3.23Å; S19-T23 PolarHBondContact O-N 3.05Å; S19-T23 PolarHBondContact O-OG1 3.18Å
20V89.8Confident89.6Confident47 Ų4784.6 Ų84.629%0.28544%0.441SS..Hα-helixtrans-68.8-39.5-178.9-173.80000111L13 H15 S17 T23 H24L13-V20 HydrophobicContact CD1-CG1 3.78Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.54Å; L13-V20 HydrophobicContact CG-CG1 3.71Å; H15-V20 HydrophobicContact CB-CG2 4.5Å; H15-V20 WeakPolarHBondContact O-CB 3.39Å; H15-V20 WeakPolarHBondContact O-CG1 3.24Å; S17-V20 PolarHBondContact O-N 2.85Å; V20-T23 WeakPolarHBondContact CA-OG1 3.41Å; V20-T23 PolarHBondContact O-N 2.86Å; V20-T23 PolarHBondContact O-OG1 3.1Å; V20-H24 WeakPolarHBondContact O-CB 3.35Å; V20-H24 PolarHBondContact O-N 3.02Å
21R90.2Very high89.7Confident83 Ų8384.1 Ų84.131%0.31343%0.433SS..Hα-helixtrans-61.4-45171.7-72-170.9-65.5-120.30111.4F4 L13 D16 S17 T23 H24 C25F4-R21 HydrophobicContact CB-CG 4.42Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 VanDerWaalsContact CD2-CD 3.48Å; F4-R21 HydrophobicContact CD2-CG 4.13Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.39Å; F4-R21 HydrophobicContact CG-CG 3.95Å; F4-R21 HydrophobicContact CZ-CG 4.47Å; L13-R21 HydrophobicContact CD2-CG 4.01Å; D16-R21 VanDerWaalsContact OD1-CD 3.23Å; D16-R21 WeakPolarHBondContact OD1-CD 3.5Å; D16-R21 WeakPolarHBondContact OD1-CG 3.49Å; D16-R21 IonicContact OD1-CZ 3.32Å; D16-R21 IonicContact OD1-NE 3.56Å; D16-R21 IonicContact OD1-NH1 2.61Å; D16-R21 PolarHBondContact OD1-NH1 3.35Å; D16-R21 IonicContact OD2-NH1 2.85Å; D16-R21 PolarHBondContact OD2-NH1 3.18Å; S17-R21 PolarHBondContact O-N 3.49Å; R21-T23 VanDerWaalsContact C-N 3.35Å; R21-T23 PolarHBondContact O-N 2.78Å; R21-H24 PolarHBondContact O-N 2.91Å; R21-C25 PolarHBondContact O-N 2.83Å; R21-C25 PolarHBondContact O-SG 3.43Å
22K90.8Very high89.9Confident161 Ų16186.4 Ų86.470%0.744%0.44SS*.Hα-helixtrans-61.1-42.3176.8-176.9177.7-79.9-1730111.7P18 S19 S26P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 3.47Å; S19-K22 PolarHBondContact O-N 2.8Å; K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 3.47Å; K22-S26 PolarHBondContact O-N 3.02Å; K22-S26 PolarHBondContact O-OG 3.26Å
23T92.6Very high90.1Very high91 Ų9181 Ų8156%0.55842%0.422SS*.Hα-helixtrans-70-32.7176.653.90000112.6S19 V20 R21 S26 G27S19-T23 WeakPolarHBondContact O-CG2 3.23Å; S19-T23 PolarHBondContact O-N 3.05Å; S19-T23 PolarHBondContact O-OG1 3.18Å; V20-T23 WeakPolarHBondContact CA-OG1 3.41Å; V20-T23 PolarHBondContact O-N 2.86Å; V20-T23 PolarHBondContact O-OG1 3.1Å; R21-T23 VanDerWaalsContact C-N 3.35Å; R21-T23 PolarHBondContact O-N 2.78Å; T23-S26 WeakPolarHBondContact CA-OG 3.46Å; T23-S26 PolarHBondContact O-OG 2.83Å; T23-G27 PolarHBondContact O-N 2.76Å; T23-G27 VanDerWaalsContact O-N 3.1Å
24H93.4Very high90.4Very high36 Ų3681.5 Ų81.517%0.16743%0.426CS..Hα-helixtrans-66.1-54.2174.8179.485.7000111.3C6 C9 L13 V20 R21 S26 G27 H30C6-H24 VanDerWaalsContact CB-NE2 3.26Å; C6-H24 WeakPolarHBondContact CB-NE2 3.46Å; C6-H24 PolarHBondContact SG-NE2 2.87Å; C9-H24 PolarHBondContact SG-NE2 3.41Å; L13-H24 HydrophobicContact CD1-CB 4.42Å; V20-H24 WeakPolarHBondContact O-CB 3.35Å; V20-H24 PolarHBondContact O-N 3.02Å; R21-H24 PolarHBondContact O-N 2.91Å; H24-S26 VanDerWaalsContact C-N 3.31Å; H24-S26 PolarHBondContact O-N 3.1Å; H24-G27 PolarHBondContact O-N 3.17Å; H24-H30 AromaticContact CD2-ND1 3.76Å; H24-H30 AromaticContact NE2-ND1 3.55Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.42Å
25C90.8Very high90.8Very high53 Ų5382.7 Ų82.736%0.35842%0.421SS..Hα-helixtrans-66.9-31.5-177.9-58.90000112.8R21 G27 H30R21-C25 PolarHBondContact O-N 2.83Å; R21-C25 PolarHBondContact O-SG 3.43Å; C25-G27 VanDerWaalsContact C-N 3.28Å; C25-H30 PolarHBondContact O-CD2 3.36Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å
26S93.2Very high91.3Very high62 Ų6279.9 Ų79.943%0.43441%0.41SS..Hα-helixtrans-80.5-10.5174.663.20000113.6K22 T23 H24 K31K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 3.47Å; K22-S26 PolarHBondContact O-N 3.02Å; K22-S26 PolarHBondContact O-OG 3.26Å; T23-S26 WeakPolarHBondContact CA-OG 3.46Å; T23-S26 PolarHBondContact O-OG 2.83Å; H24-S26 VanDerWaalsContact C-N 3.31Å; H24-S26 PolarHBondContact O-N 3.1Å; S26-K31 VanDerWaalsContact O-CE 3.22Å; S26-K31 WeakPolarHBondContact O-CE 3.18Å; S26-K31 PolarHBondContact O-NZ 3.03Å
27G93.7Very high91.7Very high24 Ų2483.4 Ų83.425%0.24742%0.42CS..SBendtrans-65150.4179.200000112.9T23 H24 C25 K29 H30 K31T23-G27 PolarHBondContact O-N 2.76Å; T23-G27 VanDerWaalsContact O-N 3.1Å; H24-G27 PolarHBondContact O-N 3.17Å; C25-G27 VanDerWaalsContact C-N 3.28Å; G27-K29 PolarHBondContact O-N 3.23Å; G27-H30 PolarHBondContact O-N 3.26Å; G27-K31 WeakPolarHBondContact O-CG 3.39Å; G27-K31 PolarHBondContact O-N 3.09Å
28R93.5Very high91.9Very high192 Ų19286.9 Ų86.973%0.72543%0.427SS*.Hα-helixtrans-59.9-48.5-176.9-163.1-172.3-51.2117.75.4112.3H30 K31 E32R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 3.46Å; R28-K31 PolarHBondContact O-N 3.49Å; R28-K31 VanDerWaalsContact O-N 3.16Å; R28-E32 WeakPolarHBondContact CD-OE1 3.4Å; R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.43Å; R28-E32 WeakPolarHBondContact O-CG 3.5Å; R28-E32 PolarHBondContact O-N 3.4Å
29K93.6Very high92Very high127 Ų12788.1 Ų88.155%0.55243%0.426SS*.Hα-helixtrans-55.8-44.9179.2-175.6-179.8177.9-174.60112.4G27 E32 N33G27-K29 PolarHBondContact O-N 3.23Å; K29-E32 PolarHBondContact O-N 3.2Å; K29-N33 WeakPolarHBondContact O-CB 3.21Å; K29-N33 VanDerWaalsContact O-CG 3.26Å; K29-N33 PolarHBondContact O-N 3.25Å; K29-N33 PolarHBondContact O-OD1 3.47Å
30H95.4Very high92Very high25 Ų2590.7 Ų90.712%0.11643%0.427CS..Hα-helixtrans-64.5-46.9178.5-178.591.4000111.3C6 Y8 H24 C25 G27 R28 E32 N33 V34C6-H30 PolarHBondContact SG-CE1 2.85Å; C6-H30 PolarHBondContact SG-ND1 3.13Å; Y8-H30 AromaticContact CD2-CE1 3.68Å; H24-H30 AromaticContact CD2-ND1 3.76Å; H24-H30 AromaticContact NE2-ND1 3.55Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.42Å; C25-H30 PolarHBondContact O-CD2 3.36Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å; G27-H30 PolarHBondContact O-N 3.26Å; R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 3.46Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.9Å; H30-N33 PolarHBondContact O-N 3.5Å; H30-V34 WeakPolarHBondContact O-CB 3.32Å; H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.04Å
31K94.6Very high91.9Very high110 Ų11094.1 Ų94.148%0.47844%0.435SS..Hα-helixtrans-62.8-38.2178.9-70.1174.8176.8164.60113.2S26 G27 R28 K35S26-K31 VanDerWaalsContact O-CE 3.22Å; S26-K31 WeakPolarHBondContact O-CE 3.18Å; S26-K31 PolarHBondContact O-NZ 3.03Å; G27-K31 WeakPolarHBondContact O-CG 3.39Å; G27-K31 PolarHBondContact O-N 3.09Å; R28-K31 PolarHBondContact O-N 3.49Å; R28-K31 VanDerWaalsContact O-N 3.16Å; K31-K35 WeakPolarHBondContact O-CG 3.38Å; K31-K35 PolarHBondContact O-N 2.89Å
32E93.3Very high91.5Very high95 Ų9595.8 Ų95.844%0.44445%0.447SS..Hα-helixtrans-67.1-50176-74.1167.3176.200110.6R28 K29 H30 V34 K35 D36R28-E32 WeakPolarHBondContact CD-OE1 3.4Å; R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.43Å; R28-E32 WeakPolarHBondContact O-CG 3.5Å; R28-E32 PolarHBondContact O-N 3.4Å; K29-E32 PolarHBondContact O-N 3.2Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.9Å; E32-V34 VanDerWaalsContact C-N 3.28Å; E32-V34 PolarHBondContact O-N 3.37Å; E32-K35 WeakPolarHBondContact O-CB 3.08Å; E32-K35 PolarHBondContact O-N 3.24Å; E32-D36 PolarHBondContact O-N 3.42Å
33N93.6Very high90.9Very high48 Ų4893.7 Ų93.726%0.25744%0.44SS..Hα-helixtrans-60.6-36.8177.7-73.915.3000113.2Y8 K29 H30 K35 D36 Y37Y8-N33 WeakPolarHBondContact O-CB 3.46Å; Y8-N33 PolarHBondContact O-ND2 3.03Å; K29-N33 WeakPolarHBondContact O-CB 3.21Å; K29-N33 VanDerWaalsContact O-CG 3.26Å; K29-N33 PolarHBondContact O-N 3.25Å; K29-N33 PolarHBondContact O-OD1 3.47Å; H30-N33 PolarHBondContact O-N 3.5Å; N33-K35 VanDerWaalsContact C-N 3.35Å; N33-D36 PolarHBondContact O-N 3.01Å; N33-Y37 WeakPolarHBondContact O-CB 3.16Å; N33-Y37 PolarHBondContact O-N 3.07Å
34V93.8Very high90Very high33 Ų3396.1 Ų96.120%0.245%0.445CS..Hα-helixtrans-63.8-41.7174.8169.80000110.8Y8 H30 E32 Y38Y8-V34 HydrophobicContact CD1-CG2 3.97Å; Y8-V34 HydrophobicContact CD2-CG2 3.63Å; Y8-V34 HydrophobicContact CE1-CG2 4.43Å; Y8-V34 HydrophobicContact CE2-CG2 4.11Å; Y8-V34 HydrophobicContact CG-CG2 3.53Å; H30-V34 WeakPolarHBondContact O-CB 3.32Å; H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.04Å; E32-V34 VanDerWaalsContact C-N 3.28Å; E32-V34 PolarHBondContact O-N 3.37Å; V34-Y38 HydrophobicContact CG1-CD2 4.07Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 WeakPolarHBondContact O-CD2 3.26Å; V34-Y38 PolarHBondContact O-N 3.09Å
35K93Very high89.1Confident148 Ų14899.2 Ų99.264%0.64346%0.46SS*.Hα-helixtrans-65.1-48.8175.9-72.5174-179.3-174.50111.3K31 E32 N33 Y37 Y38 Q39K31-K35 WeakPolarHBondContact O-CG 3.38Å; K31-K35 PolarHBondContact O-N 2.89Å; E32-K35 WeakPolarHBondContact O-CB 3.08Å; E32-K35 PolarHBondContact O-N 3.24Å; N33-K35 VanDerWaalsContact C-N 3.35Å; K35-Y37 VanDerWaalsContact C-N 3.25Å; K35-Y37 PolarHBondContact O-N 3.13Å; K35-Y38 PolarHBondContact O-N 2.86Å; K35-Q39 WeakPolarHBondContact O-CB 3.18Å; K35-Q39 PolarHBondContact O-N 3.14Å
36D91.4Very high88.2Confident75 Ų7599 Ų9940%0.40146%0.461SS..Hα-helixtrans-61-36.9179.6-70.5-2000111.7E32 N33 Q39 K40E32-D36 PolarHBondContact O-N 3.42Å; N33-D36 PolarHBondContact O-N 3.01Å; D36-Q39 PolarHBondContact O-N 3.05Å; D36-K40 WeakPolarHBondContact O-CB 3.18Å; D36-K40 VanDerWaalsContact O-CG 3.32Å; D36-K40 WeakPolarHBondContact O-CG 3.4Å; D36-K40 PolarHBondContact O-N 3.35Å
37Y91.6Very high87.4Confident127 Ų127100.5 Ų100.550%0.49846%0.462SS..Hα-helixtrans-59.2-51.4175.4175.7-95.5000111.4Y8 N33 K35 Q39 W41Y8-Y37 HydrophobicContact CD1-CD1 4.34Å; Y8-Y37 HydrophobicContact CD1-CG 4.18Å; Y8-Y37 AromaticContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CE1 4.21Å; Y8-Y37 HydrophobicContact CE1-CG 4.22Å; N33-Y37 WeakPolarHBondContact O-CB 3.16Å; N33-Y37 PolarHBondContact O-N 3.07Å; K35-Y37 VanDerWaalsContact C-N 3.25Å; K35-Y37 PolarHBondContact O-N 3.13Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 3Å; Y37-W41 WeakPolarHBondContact O-CB 3.43Å; Y37-W41 PolarHBondContact O-N 3.48Å
38Y90.1Very high86.6Confident118 Ų118101.7 Ų101.746%0.46347%0.466SS..Hα-helixtrans-70.4-30.8178.7-73.4-64.6000112.8V34 K35 W41 M42V34-Y38 HydrophobicContact CG1-CD2 4.07Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 WeakPolarHBondContact O-CD2 3.26Å; V34-Y38 PolarHBondContact O-N 3.09Å; K35-Y38 PolarHBondContact O-N 2.86Å; Y38-W41 PolarHBondContact O-N 3.38Å; Y38-M42 WeakPolarHBondContact O-CG 3.43Å; Y38-M42 PolarHBondContact O-N 3.22Å; Y38-M42 VanDerWaalsContact O-N 3.09Å
39Q87.6Confident85.6Confident115 Ų11598 Ų9854%0.53746%0.46SS..Hα-helixtrans-67.1-48.7176.5-174.9161.313.800111.8K35 D36 Y37 W41 M42 E43K35-Q39 WeakPolarHBondContact O-CB 3.18Å; K35-Q39 PolarHBondContact O-N 3.14Å; D36-Q39 PolarHBondContact O-N 3.05Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 3Å; Q39-W41 VanDerWaalsContact C-N 3.26Å; Q39-W41 PolarHBondContact O-N 2.89Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.13Å; Q39-E43 PolarHBondContact O-N 3.25Å
40K86.3Confident84.8Confident135 Ų13596 Ų9659%0.58746%0.455SS*.Hα-helixtrans-61.1-37.5174.5-71.8173.2-175.7173.30111.9D36 M42 E43 E44D36-K40 WeakPolarHBondContact O-CB 3.18Å; D36-K40 VanDerWaalsContact O-CG 3.32Å; D36-K40 WeakPolarHBondContact O-CG 3.4Å; D36-K40 PolarHBondContact O-N 3.35Å; K40-M42 VanDerWaalsContact C-N 3.3Å; K40-M42 PolarHBondContact O-N 2.88Å; K40-E43 PolarHBondContact O-N 3.34Å; K40-E44 WeakPolarHBondContact O-CB 3.38Å; K40-E44 PolarHBondContact O-N 2.91Å
41W87.3Confident84.1Confident118 Ų11899 Ų9945%0.44747%0.472SS..Hα-helixtrans-61.4-38.9175.5-17867.4000112.4Y37 Y38 Q39 Q45Y37-W41 WeakPolarHBondContact O-CB 3.43Å; Y37-W41 PolarHBondContact O-N 3.48Å; Y38-W41 PolarHBondContact O-N 3.38Å; Q39-W41 VanDerWaalsContact C-N 3.26Å; Q39-W41 PolarHBondContact O-N 2.89Å; W41-Q45 WeakPolarHBondContact O-CG 3.41Å; W41-Q45 PolarHBondContact O-N 2.84Å; W41-Q45 VanDerWaalsContact O-N 3.09Å
42M81.4Confident83.1Confident118 Ų118100.2 Ų100.258%0.58148%0.477SS*.Hα-helixtrans-68.2-39.5174.3-69-60.9-153.800112.6Y38 Q39 K40 Q45 A46Y38-M42 WeakPolarHBondContact O-CG 3.43Å; Y38-M42 PolarHBondContact O-N 3.22Å; Y38-M42 VanDerWaalsContact O-N 3.09Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.13Å; K40-M42 VanDerWaalsContact C-N 3.3Å; K40-M42 PolarHBondContact O-N 2.88Å; M42-Q45 PolarHBondContact O-N 3.15Å; M42-A46 PolarHBondContact O-N 3.14Å
43E78.2Confident82Confident117 Ų11799.7 Ų99.755%0.54748%0.48SS..Hα-helixtrans-63.4-41.3175-71.3174.1-176.500111.8Q39 K40 Q45 A46 Q47Q39-E43 PolarHBondContact O-N 3.25Å; K40-E43 PolarHBondContact O-N 3.34Å; E43-Q45 PolarHBondContact O-N 3.45Å; E43-A46 PolarHBondContact O-N 3.27Å; E43-Q47 WeakPolarHBondContact O-CB 3.43Å; E43-Q47 PolarHBondContact O-N 3.24Å
44E73.9Confident80.9Confident143 Ų143100.3 Ų100.367%0.66849%0.486SS*.Hα-helixtrans-65.4-39177.2-168179.9155.400111.9K40 Q47 S48K40-E44 WeakPolarHBondContact O-CB 3.38Å; K40-E44 PolarHBondContact O-N 2.91Å; E44-Q47 PolarHBondContact O-N 3.08Å; E44-S48 WeakPolarHBondContact O-CB 3.43Å; E44-S48 PolarHBondContact O-N 3.05Å
45Q74.1Confident79.6Confident100 Ų100100.9 Ų100.947%0.46749%0.494SS..Hα-helixtrans-65.2-39.9173.3-73.1-139.193.400112.5W41 M42 E43 S48 L49W41-Q45 WeakPolarHBondContact O-CG 3.41Å; W41-Q45 PolarHBondContact O-N 2.84Å; W41-Q45 VanDerWaalsContact O-N 3.09Å; M42-Q45 PolarHBondContact O-N 3.15Å; E43-Q45 PolarHBondContact O-N 3.45Å; Q45-S48 PolarHBondContact O-N 2.81Å; Q45-L49 PolarHBondContact O-N 3.49Å
46A72.7Confident78.1Confident48 Ų4895.7 Ų95.740%0.39748%0.479SS..Hα-helixtrans-64.2-42.7174.500000111.4M42 E43 S48 L49 I50M42-A46 PolarHBondContact O-N 3.14Å; E43-A46 PolarHBondContact O-N 3.27Å; A46-S48 PolarHBondContact O-N 3.32Å; A46-L49 WeakPolarHBondContact O-CB 3.23Å; A46-L49 PolarHBondContact O-N 2.9Å; A46-I50 WeakPolarHBondContact O-CG1 3.2Å; A46-I50 PolarHBondContact O-N 2.88Å
47Q76.8Confident76.7Confident95 Ų9598 Ų9844%0.44449%0.485SS..Hα-helixtrans-64.5-41.4177.7-167.360.751.800111.6E43 E44 L49 I50 D51E43-Q47 WeakPolarHBondContact O-CB 3.43Å; E43-Q47 PolarHBondContact O-N 3.24Å; E44-Q47 PolarHBondContact O-N 3.08Å; Q47-L49 PolarHBondContact O-N 2.91Å; Q47-I50 PolarHBondContact O-N 3.18Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; Q47-D51 PolarHBondContact NE2-OD1 2.85Å; Q47-D51 WeakPolarHBondContact O-CB 3.33Å; Q47-D51 PolarHBondContact O-N 3.27Å
48S75.6Confident75.3Confident49 Ų4999.4 Ų99.434%0.34350%0.497SS..Hα-helixtrans-58.1-36.9174.6-172.60000112.7E44 Q45 A46 K52E44-S48 WeakPolarHBondContact O-CB 3.43Å; E44-S48 PolarHBondContact O-N 3.05Å; Q45-S48 PolarHBondContact O-N 2.81Å; A46-S48 PolarHBondContact O-N 3.32Å; S48-K52 WeakPolarHBondContact O-CD 3.32Å; S48-K52 VanDerWaalsContact O-CG 3.23Å; S48-K52 WeakPolarHBondContact O-CG 3.5Å; S48-K52 PolarHBondContact O-N 2.61Å; S48-K52 PolarHBondContact OG-NZ 3.31Å
49L74.1Confident73.9Confident114 Ų114100.3 Ų100.360%0.59751%0.505SS*.Hα-helixtrans-71-39.7175.7-72.7166.1000112.2Q45 A46 Q47 T53Q45-L49 PolarHBondContact O-N 3.49Å; A46-L49 WeakPolarHBondContact O-CB 3.23Å; A46-L49 PolarHBondContact O-N 2.9Å; Q47-L49 PolarHBondContact O-N 2.91Å; L49-T53 WeakPolarHBondContact O-CB 3.49Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.49Å
50I76.9Confident72.4Confident85 Ų8597.9 Ų97.944%0.43651%0.511SS..Hα-helixtrans-64.4-44.7176.1-67.4163.3000110.4A46 Q47 K52 T53 T54A46-I50 WeakPolarHBondContact O-CG1 3.2Å; A46-I50 PolarHBondContact O-N 2.88Å; Q47-I50 PolarHBondContact O-N 3.18Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; I50-K52 PolarHBondContact O-N 3.05Å; I50-T53 PolarHBondContact O-N 3.39Å; I50-T54 VanDerWaalsContact O-CB 3.24Å; I50-T54 WeakPolarHBondContact O-CB 3.14Å; I50-T54 PolarHBondContact O-N 3.26Å; I50-T54 PolarHBondContact O-OG1 3.03Å
51D79.5Confident71Confident88 Ų88100.2 Ų100.247%0.47152%0.521SS..Hα-helixtrans-63.9-42.4-179.4-66.1-15.5000111Q47 T54 A55Q47-D51 PolarHBondContact NE2-OD1 2.85Å; Q47-D51 WeakPolarHBondContact O-CB 3.33Å; Q47-D51 PolarHBondContact O-N 3.27Å; D51-T54 PolarHBondContact O-N 2.97Å; D51-A55 WeakPolarHBondContact O-CB 3.41Å; D51-A55 PolarHBondContact O-N 3.04Å
52K73.7Confident69.2Low136 Ų13698.6 Ų98.659%0.59152%0.52SS*.Hα-helixtrans-63.4-42.3174.8-72.7167.7-173.9163.60112.3S48 I50 A56S48-K52 WeakPolarHBondContact O-CD 3.32Å; S48-K52 VanDerWaalsContact O-CG 3.23Å; S48-K52 WeakPolarHBondContact O-CG 3.5Å; S48-K52 PolarHBondContact O-N 2.61Å; S48-K52 PolarHBondContact OG-NZ 3.31Å; I50-K52 PolarHBondContact O-N 3.05Å; K52-A56 VanDerWaalsContact O-CB 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.29Å; K52-A56 PolarHBondContact O-N 3.41Å
53T69.6Low67.9Low83 Ų8397.7 Ų97.751%0.50952%0.523SS..Hα-helixtrans-69.9-40.6179.7-55.40000111.3L49 I50 A56 F57L49-T53 WeakPolarHBondContact O-CB 3.49Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.49Å; I50-T53 PolarHBondContact O-N 3.39Å; T53-A56 PolarHBondContact O-N 3.16Å; T53-F57 WeakPolarHBondContact O-CB 3.44Å; T53-F57 PolarHBondContact O-N 3.17Å
54T70.6Confident66.7Low61 Ų6197.8 Ų97.837%0.37453%0.533SS..Hα-helixtrans-69.6-40.1178.4-56.30000111.3I50 D51 F57 Q58I50-T54 VanDerWaalsContact O-CB 3.24Å; I50-T54 WeakPolarHBondContact O-CB 3.14Å; I50-T54 PolarHBondContact O-N 3.26Å; I50-T54 PolarHBondContact O-OG1 3.03Å; D51-T54 PolarHBondContact O-N 2.97Å; T54-F57 PolarHBondContact O-N 3.42Å; T54-Q58 WeakPolarHBondContact O-CB 3.39Å; T54-Q58 PolarHBondContact O-N 3.38Å
55A67.8Low65.8Low45 Ų4594.3 Ų94.337%0.37252%0.522SS..Hα-helixtrans-64.2-41172.600000111.5D51 F57 Q58 Q59D51-A55 WeakPolarHBondContact O-CB 3.41Å; D51-A55 PolarHBondContact O-N 3.04Å; A55-F57 VanDerWaalsContact C-N 3.34Å; A55-Q58 PolarHBondContact O-N 3.38Å; A55-Q59 WeakPolarHBondContact O-CB 3.44Å; A55-Q59 WeakPolarHBondContact O-CG 3.34Å; A55-Q59 PolarHBondContact O-N 3.38Å
56A61.6Low65.2Low40 Ų4095.3 Ų95.333%0.33154%0.537SS..Hα-helixtrans-65.7-35.3174.400000112.8K52 T53K52-A56 VanDerWaalsContact O-CB 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.29Å; K52-A56 PolarHBondContact O-N 3.41Å; T53-A56 PolarHBondContact O-N 3.16Å
57F60.6Low64.4Low122 Ų122100.6 Ų100.654%0.53555%0.552SS.*Hα-helixtrans-69.8-43.9175.4-164.7-93000112T53 T54 A55 Q59 G60 M62T53-F57 WeakPolarHBondContact O-CB 3.44Å; T53-F57 PolarHBondContact O-N 3.17Å; T54-F57 PolarHBondContact O-N 3.42Å; A55-F57 VanDerWaalsContact C-N 3.34Å; F57-Q59 VanDerWaalsContact C-N 3.28Å; F57-Q59 PolarHBondContact O-N 3.34Å; F57-G60 PolarHBondContact O-N 3.49Å; F57-G60 VanDerWaalsContact O-N 3.1Å; F57-M62 HydrophobicContact CB-CG 4.43Å; F57-M62 HydrophobicContact CB-SD 3.95Å; F57-M62 HydrophobicContact CD2-CE 3.79Å; F57-M62 HydrophobicContact CD2-CG 3.59Å; F57-M62 HydrophobicContact CD2-SD 3.65Å; F57-M62 HydrophobicContact CE2-CE 4.45Å; F57-M62 HydrophobicContact CE2-CG 4.22Å; F57-M62 HydrophobicContact CG-CG 4.34Å; F57-M62 HydrophobicContact CG-SD 4.28Å
58Q63.7Low62.9Low157 Ų157102.6 Ų102.673%0.73457%0.573SS**Hα-helixtrans-67.2-27.4175.2-80.3175.845.300113.1T54 A55 G60T54-Q58 WeakPolarHBondContact O-CB 3.39Å; T54-Q58 PolarHBondContact O-N 3.38Å; A55-Q58 PolarHBondContact O-N 3.38Å; Q58-G60 PolarHBondContact O-N 2.91Å
59Q59.9Low62.1Low137 Ų137103.8 Ų103.864%0.6459%0.593SS**THydrogen-bonded Turntrans-73.42.3172.5-74.8174.74.700113.6A55 F57 K61A55-Q59 WeakPolarHBondContact O-CB 3.44Å; A55-Q59 WeakPolarHBondContact O-CG 3.34Å; A55-Q59 PolarHBondContact O-N 3.38Å; F57-Q59 VanDerWaalsContact C-N 3.28Å; F57-Q59 PolarHBondContact O-N 3.34Å; Q59-K61 VanDerWaalsContact C-N 3.31Å; Q59-K61 PolarHBondContact O-N 3.5Å
60G56.9Low61.3Low65 Ų65101.4 Ų101.467%0.6759%0.59SS**THydrogen-bonded Turntrans69.619.7166.900000115.4F57 Q58F57-G60 PolarHBondContact O-N 3.49Å; F57-G60 VanDerWaalsContact O-N 3.1Å; Q58-G60 PolarHBondContact O-N 2.91Å
61K55.8Low60.1Low183 Ų183102.9 Ų102.980%0.79661%0.605SS**  trans-99.38.4-176.3-71.5-178.3-178.6176.90115.2Q59Q59-K61 VanDerWaalsContact C-N 3.31Å; Q59-K61 PolarHBondContact O-N 3.5Å
62M49.9Very low58.9Low85 Ų85104 Ų10442%0.41962%0.617SS.*SBendtrans-125.6123.9175.845.6-157.7-66.100110.5F57F57-M62 HydrophobicContact CB-CG 4.43Å; F57-M62 HydrophobicContact CB-SD 3.95Å; F57-M62 HydrophobicContact CD2-CE 3.79Å; F57-M62 HydrophobicContact CD2-CG 3.59Å; F57-M62 HydrophobicContact CD2-SD 3.65Å; F57-M62 HydrophobicContact CE2-CE 4.45Å; F57-M62 HydrophobicContact CE2-CG 4.22Å; F57-M62 HydrophobicContact CG-CG 4.34Å; F57-M62 HydrophobicContact CG-SD 4.28Å
63P53.3Low58Low99 Ų99104.3 Ų104.364%0.64363%0.633SS**  trans-62.4146.7179.326.1-32.6000109.8T65P63-T65 PolarHBondContact O-N 3.23Å
64P53.9Low57.4Low118 Ų118104 Ų10477%0.76665%0.647SS**SBendtrans-68.616.7-173.427.4-34.4000115
65T55.3Low56.6Low70 Ų70104.8 Ų104.843%0.42967%0.667SS.*  trans-149.3113.1-175.6300000110P63 F67P63-T65 PolarHBondContact O-N 3.23Å; T65-F67 PolarHBondContact O-N 3.48Å
66P60.3Low55.8Low121 Ų121107 Ų10779%0.78669%0.685SS**SBendtrans-68.1-10.6169.5-15.829.6000112.8
67F56.7Low55.5Low159 Ų159114 Ų11470%0.69771%0.713SS**SBendtrans-127.5116.2-176.7-71.7-84.4000110.5T65 G69T65-F67 PolarHBondContact O-N 3.48Å; F67-G69 PolarHBondContact O-N 2.93Å
68P45.8Very low55.3Low137 Ų137115.6 Ų115.689%0.8973%0.725SS**THydrogen-bonded Turntrans-69.7101.7168.712.4-2.8000108.3
69G58.8Low54.8Low75 Ų75113.1 Ų113.177%0.77372%0.723SS**THydrogen-bonded Turntrans142.6-0.6175.300000117.2F67F67-G69 PolarHBondContact O-N 2.93Å
70A57.7Low54.7Low64 Ų64112 Ų11253%0.52973%0.727SS.*PPolyproline II helixtrans-75.3131.9178.800000111.8
71P50.4Low54.4Low115 Ų115115.1 Ų115.175%0.74774%0.736SS**PPolyproline II helixtrans-66.2156.1177.1-11.926.4000111.5
72P54.3Low54.2Low112 Ų112112.4 Ų112.473%0.72773%0.73SS**PPolyproline II helixtrans-58.7148.3-175.622.9-32.5000112.4G74P72-G74 VanDerWaalsContact C-N 3.29Å; P72-G74 PolarHBondContact O-N 2.92Å
73P55.4Low54.6Low143 Ų143116.1 Ų116.193%0.92975%0.751SS**SBendtrans-73.883.9-179.830.9-32.8000109.5
74G56.4Low54.7Low77 Ų77118.2 Ų118.279%0.79475%0.752SS**SBendtrans-167.221.3-176.900000115.7P72P72-G74 VanDerWaalsContact C-N 3.29Å; P72-G74 PolarHBondContact O-N 2.92Å
75G55Low54.8Low77 Ų77115.8 Ų115.879%0.79475%0.748SS**  trans-159.717.6-172.400000118.4
76A50.4Low55.2Low91 Ų91118.1 Ų118.175%0.75276%0.764SS**  trans-105.289.3174.700000110.1I78A76-I78 PolarHBondContact O-N 3.14Å
77M54.4Low54.8Low187 Ų187118 Ų11892%0.92176%0.763SS**  trans-52.9107.4158-73.3-82.3-129.900107.6P79M77-P79 WeakPolarHBondContact O-CD 3.48Å
78I56.8Low54.9Low156 Ų156122 Ų12280%0.877%0.774SS**  trans-72.5112.3171-58.1-175.1000106.2A76A76-I78 PolarHBondContact O-N 3.14Å
79P54.1Low54.9Low104 Ų104121.6 Ų121.668%0.67577%0.771SS**  trans-64.4145.4174.926.7-32.1000109.7M77M77-P79 WeakPolarHBondContact O-CD 3.48Å
80P56.5Low54.2Low114 Ų114121.1 Ų121.174%0.7477%0.766SS**  trans-57.2147-178.922.4-32.2000111.1N82P80-N82 PolarHBondContact O-N 3.27Å
81P50.6Low54.2Low130 Ų130127.3 Ų127.384%0.84479%0.787SS**  trans-60.8103.2-178.8-17.829.7000109.9L83P81-L83 PolarHBondContact O-N 3.43Å
82N52.8Low54.4Low127 Ų127129.1 Ų129.168%0.67979%0.789SS**  trans-62123.2173-171.920.9000108.2P80 H84P80-N82 PolarHBondContact O-N 3.27Å; N82-H84 PolarHBondContact O-N 3.02Å; N82-H84 PolarHBondContact OD1-ND1 3.21Å; N82-H84 VanDerWaalsContact OD1-ND1 3.08Å
83L57.6Low54.2Low163 Ų163129.5 Ų129.585%0.85379%0.791SS**SBendtrans-70.929.9-176.1-122.1138.5000113.5P81P81-L83 PolarHBondContact O-N 3.43Å
84H54.5Low54.1Low143 Ų143129 Ų12966%0.66279%0.786SS**SBendtrans-139.8100.2-173.9-58.394.3000108.3N82N82-H84 PolarHBondContact O-N 3.02Å; N82-H84 PolarHBondContact OD1-ND1 3.21Å; N82-H84 VanDerWaalsContact OD1-ND1 3.08Å
85G56.1Low53.6Low66 Ų66131.1 Ų131.168%0.6879%0.786SS**PPolyproline II helixtrans-58161.9179.600000113.2
86P64Low53.6Low119 Ų119136.8 Ų136.877%0.77379%0.792SS**PPolyproline II helixtrans-61.7141-178.724-32.1000111.3R88P86-R88 PolarHBondContact O-N 2.91Å
87P52.9Low53.7Low118 Ų118141.5 Ų141.577%0.76680%0.8SS**PPolyproline II helixtrans-63.9123.417526.9-31.6000108.4P89P87-P89 WeakPolarHBondContact O-CD 3.27Å
88R58.9Low53.7Low243 Ų243136.5 Ų136.592%0.91780%0.797SS**PPolyproline II helixtrans-58117177.2-73.2173.7160.9-104.9-0.9109.6P86 G90P86-R88 PolarHBondContact O-N 2.91Å; R88-G90 PolarHBondContact O-N 3.23Å
89P45.2Very low53.5Low130 Ų130132.2 Ų132.284%0.84479%0.791SS**PPolyproline II helixtrans-74.1124.3172.7-14.931.7000109.8P87P87-P89 WeakPolarHBondContact O-CD 3.27Å
90G44.9Very low53.5Low64 Ų64133.3 Ų133.366%0.6680%0.798SS**  trans91.277.7158.500000116.9R88 L92R88-G90 PolarHBondContact O-N 3.23Å; G90-L92 PolarHBondContact O-N 2.92Å
91M56.4Low53.3Low195 Ų195133.4 Ų133.496%0.96180%0.799SS**  trans-73.4102.7144.1-82.7167.475.900107.3
92L54.6Low53.8Low152 Ų152136.3 Ų136.380%0.79680%0.803SS**PPolyproline II helixtrans-74.9134.3161.1-10474.4000108.4G90 T94G90-L92 PolarHBondContact O-N 2.92Å; L92-T94 PolarHBondContact O-N 2.85Å
93P51.2Low54.1Low120 Ų120138.3 Ų138.378%0.77981%0.811SS**PPolyproline II helixtrans-68.3116.7171.326.9-30.4000108.9P95P93-P95 WeakPolarHBondContact O-CD 3.22Å
94T51.9Low53.9Low133 Ų133136.2 Ų136.282%0.81681%0.807SS**PPolyproline II helixtrans-59.5124.9169.7350000110L92 Q96L92-T94 PolarHBondContact O-N 2.85Å; T94-Q96 PolarHBondContact O-N 3.1Å
95P47.6Very low53.8Low121 Ų121138 Ų13879%0.78682%0.817SS**PPolyproline II helixtrans-64.2126.6170.5-19.832000110.6P93 M97P93-P95 WeakPolarHBondContact O-CD 3.22Å; P95-M97 PolarHBondContact O-N 2.87Å
96Q54.5Low53.6Low197 Ų197143.8 Ų143.892%0.92183%0.829SS**  trans-54.398.3169.4-178.3179.3-8400110.2T94T94-Q96 PolarHBondContact O-N 3.1Å
97M52Low52.6Low189 Ų189141 Ų14193%0.93182%0.822SS**  trans-97.2115170.2-133.6-172.1-175.500108.3P95P95-M97 PolarHBondContact O-N 2.87Å
98G53.8Low52.3Low83 Ų83139 Ų13986%0.85682%0.824SS**  trans-61.6133.4-173.500000113.7
99G53.2Low52Low65 Ų65137 Ų13767%0.6783%0.827SS**  trans-133.3144.7164.400000109.7
100P54.3Low52.3Low128 Ų128134 Ų13483%0.83182%0.82SS**PPolyproline II helixtrans-72.9165.4-168.131.5-35.9000113.6
101P52.9Low53.1Low115 Ų115136.7 Ų136.775%0.74783%0.826SS**PPolyproline II helixtrans-73.3144.3-155.528.4-35.2000115
102M59.8Low53.3Low191 Ų191132.5 Ų132.594%0.94181%0.813SS**PPolyproline II helixtrans-62.6123.2170.3-154.4177.2-163.700110.3
103M59.3Low53.7Low169 Ų169131.3 Ų131.383%0.83381%0.814SS**PPolyproline II helixtrans-96.4138.2169.8-77-79.5-176.400110.1
104P54.2Low53.7Low120 Ų120131.7 Ų131.778%0.77982%0.817SS**  trans-86.5110.7177.531.9-28.8000110.3M106P104-M106 PolarHBondContact O-N 3.41Å
105M51.6Low53.5Low179 Ų179128.9 Ų128.988%0.88281%0.814SS**  trans-9283.7167.1-163.7-178.5165.800110
106M52.2Low53.7Low188 Ų188132.9 Ų132.993%0.92683%0.825SS**  trans-76.9125.4156.8-177.1-176.3178.600108.3P104P104-M106 PolarHBondContact O-N 3.41Å
107G42.4Very low53.6Low60 Ų60133 Ų13362%0.61983%0.828SS**  trans131.3123.2158.900000115.3
108G46.4Very low53Low78 Ų78127.8 Ų127.880%0.80482%0.823SS**  trans140.980.7157.200000114.8G110G108-G110 PolarHBondContact O-N 3.36Å; G108-G110 VanDerWaalsContact O-N 3.13Å
109M53.7Low52.6Low199 Ų199127.2 Ų127.298%0.9882%0.817SS**  trans-53.7111.8156.1-75.6139.57500109.3
110G50.8Low52.4Low68 Ų68130.8 Ų130.870%0.70183%0.828SS**PPolyproline II helixtrans-96.8132.2169.400000110.7G108G108-G110 PolarHBondContact O-N 3.36Å; G108-G110 VanDerWaalsContact O-N 3.13Å
111P63.1Low52.2Low121 Ų121127.9 Ų127.979%0.78682%0.821SS**PPolyproline II helixtrans-72.5158.3-175.128.6-33.4000113.5
112P59.4Low52.2Low106 Ų106131.3 Ų131.369%0.68883%0.83SS**PPolyproline II helixtrans-72153.9-172.230.9-35.8000112.5P114P112-P114 WeakPolarHBondContact O-CD 3.29Å
113P64.5Low52Low127 Ų127133 Ų13383%0.82583%0.826SS**PPolyproline II helixtrans-66.7121.7179.425.3-31.6000111.3
114P49.6Very low51.9Low129 Ų129130.3 Ų130.384%0.83882%0.821SS**PPolyproline II helixtrans-83.6131.2173.5-10.429.1000111.2P112P112-P114 WeakPolarHBondContact O-CD 3.29Å
115G48.3Very low52Low73 Ų73130.6 Ų130.675%0.75382%0.822SS**  trans94.193.314900000117.3
116M50.8Low51.9Low206 Ų206129.8 Ų129.8100%1.01582%0.819SS**  trans-147.287.3131.5-107.7172.3103.600108.1
117M52.4Low51.8Low199 Ų199124 Ų12498%0.9881%0.807SS**  trans-105128.9163.7176.9172.7170.800107.6
118G40.4Very low51.8Low80 Ų80124.5 Ų124.583%0.82581%0.812SS**  trans136.4122.7174.800000110.1
119G46.4Very low51.9Low71 Ų71130.8 Ų130.873%0.73281%0.811SS**  cis-173.6-170.610.600000107.9
120P48.4Very low51.6Low139 Ų139129.9 Ų129.990%0.90381%0.807SS**  trans-86.9145.9-149.434.7-34.2000114
121G50Low51.6Low67 Ų67133.4 Ų133.469%0.69181%0.805SS**  trans113.1106.3158.400000113.7
122M51.7Low51Low188 Ų188136.1 Ų136.193%0.92681%0.81SS**  trans169.293.5131.8-89.4153.3-177.700107P124M122-P124 WeakPolarHBondContact O-CD 3.4Å
123R57.2Low50.5Low227 Ų227139.5 Ų139.586%0.85782%0.818SS**PPolyproline II helixtrans-82.9124159.6-69.7166.266.3-137.84.7107
124P55.5Low49.7Very low112 Ų112138.1 Ų138.173%0.72781%0.81SS**PPolyproline II helixtrans-99.1159.8151.9318.1000110.1M122M122-P124 WeakPolarHBondContact O-CD 3.4Å
125P57Low49.6Very low125 Ų125134.9 Ų134.981%0.81280%0.8SS**PPolyproline II helix-88154-125.829.7-35.9000116
126M50.5Low49.5Very low163 Ų163140 Ų14080%0.80380%0.804SS**  trans-41.9138.3165.4-168.6-169.1-171.900112.6G128M126-G128 PolarHBondContact O-N 2.69Å
127G49.6Very low49.4Very low67 Ų67137.1 Ų137.169%0.69179%0.787SS**  trans-50.5118171.600000112.7
128G41.6Very low49.3Very low70 Ų70135 Ų13572%0.72278%0.777SS**  trans-98.793.6162.100000109.1M126 M130M126-G128 PolarHBondContact O-N 2.69Å; G128-M130 PolarHBondContact O-N 3.04Å
129R48.4Very low49.8Very low209 Ų209139.5 Ų139.579%0.78978%0.779SS**  trans-62.2109155.868.9-165.5-173.9-85.2-3.8106.6
130M47.9Very low50.2Low181 Ų181147 Ų14789%0.89279%0.785SS**  trans-112.7118.7167.1-13073.6172.500108G128G128-M130 PolarHBondContact O-N 3.04Å
131Q50.3Low50.7Low142 Ų142145.5 Ų145.566%0.66478%0.775SS**  trans-63.6145.2179.6-75.796.378.900112.1
132M50.8Low51.1Low178 Ų178147.9 Ų147.988%0.87778%0.778SS**  trans44.1120.7137-65.3172.7160.400119.7
133M49.8Very low51Low176 Ų176142.5 Ų142.587%0.86777%0.771SS**  -155152.9110.2-93.8-138.6102.500112.4
134P47.9Very low50.8Low99 Ų99139.9 Ų139.964%0.64377%0.768SS**  trans-95.5146.2-168.336-26.3000112.8
135G47.2Very low50.7Low61 Ų61139.4 Ų139.463%0.62977%0.765SS**  trans57.592.7145.400000118
136H44.6Very low50.5Low180 Ų180142 Ų14283%0.83377%0.769SS**  trans-118.494.7157.22.4160.9000107.2
137H48.8Very low50.7Low145 Ų145142.2 Ų142.267%0.67177%0.77SS**  trans-68.9152.1166.833.7-82.1000109.7
138M50.8Low50.9Low156 Ų156148 Ų14877%0.76878%0.781SS**  trans83.5103.4163.6-47.2-161.8-168.100117.1
139M51.9Low51.7Low174 Ų174155.1 Ų155.186%0.85779%0.786SS**  -161.891.9111.7-90.2-51.2131.400108.6
140R53.3Low51.8Low227 Ų227150.4 Ų150.486%0.85778%0.783SS**PPolyproline II helixtrans-79.6118.5162.9175.5155.763.7-134.35.2106.4
141P60.2Low51.9Low109 Ų109150.5 Ų150.571%0.70878%0.783SS**PPolyproline II helixtrans-65.6140.4172.324.6-29.9000109.3G143P141-G143 PolarHBondContact O-N 3.35Å
142P57.3Low52.2Low116 Ų116151.4 Ų151.475%0.75379%0.789SS**PPolyproline II helixtrans-62.4134.2179.723.4-30.6000110.2H144P142-H144 PolarHBondContact O-N 2.94Å
143G50.8Low52.4Low75 Ų75147.2 Ų147.277%0.77378%0.783SS**PPolyproline II helixtrans-57.5117.8174.600000110.5P141 P145P141-G143 PolarHBondContact O-N 3.35Å; G143-P145 WeakPolarHBondContact O-CD 3.4Å
144H53.5Low52.9Low173 Ų173150 Ų15080%0.80178%0.783SS**PPolyproline II helixtrans-76.4123.5161-93.9-61000108.4P142 M146P142-H144 PolarHBondContact O-N 2.94Å; H144-M146 PolarHBondContact O-N 3.46Å; H144-M146 VanDerWaalsContact O-N 3.1Å
145P51.7Low53.6Low102 Ų102151.3 Ų151.366%0.66279%0.792SS**  trans-67.6109.4161.527.5-29.2000107.1G143 M147G143-P145 WeakPolarHBondContact O-CD 3.4Å; P145-M147 VanDerWaalsContact C-N 3.32Å; P145-M147 PolarHBondContact O-N 3.21Å
146M53.6Low53.9Low180 Ų180156.4 Ų156.489%0.88781%0.805SS**  trans-62.699.5165.9-72.7-69-137.500107.2H144 M148H144-M146 PolarHBondContact O-N 3.46Å; H144-M146 VanDerWaalsContact O-N 3.1Å; M146-M148 PolarHBondContact O-N 3.23Å
147M55.1Low54.2Low166 Ų166162.5 Ų162.582%0.81882%0.821SS**  trans-60118169.4-59.5-175.9-176.800107.4P145 R149P145-M147 VanDerWaalsContact C-N 3.32Å; P145-M147 PolarHBondContact O-N 3.21Å; M147-R149 PolarHBondContact O-N 3.18Å
148M54.1Low54.4Low189 Ų189163.4 Ų163.493%0.93183%0.828SS**  trans-51.7111.2169.5-77.8179.6148.900108.5M146 P150M146-M148 PolarHBondContact O-N 3.23Å; M148-P150 WeakPolarHBondContact O-CD 3.18Å
149R56.8Low54.6Low219 Ų219163.7 Ų163.783%0.82683%0.831SS**  trans-72.5125.3170.5-68.617571-123.33.4107.5M147 M151M147-R149 PolarHBondContact O-N 3.18Å; R149-M151 PolarHBondContact O-N 3.36Å
150P50.8Low54.8Low111 Ų111163.2 Ų163.272%0.72183%0.83SS**  trans-63.9131.8173.8-18.230.9000110.2M148 M152M148-P150 WeakPolarHBondContact O-CD 3.18Å; P150-M152 PolarHBondContact O-N 2.97Å
151M51.2Low54.9Low182 Ų182159.4 Ų159.490%0.89783%0.828SS**  trans-51.9103.5169.7-178.379.5175.900109.8R149 A153R149-M151 PolarHBondContact O-N 3.36Å; M151-A153 PolarHBondContact O-N 3.13Å; M151-A153 VanDerWaalsContact O-N 3.13Å
152M55.4Low54.5Low162 Ų162162.6 Ų162.680%0.79884%0.836SS**  trans-73.9104.1167.9-73.2166-164.100107.6P150 R154P150-M152 PolarHBondContact O-N 2.97Å; M152-R154 PolarHBondContact O-N 3.31Å
153A55.5Low54.4Low89 Ų89165.7 Ų165.774%0.73684%0.841SS**PPolyproline II helixtrans-49.1123.616800000109.5M151M151-A153 PolarHBondContact O-N 3.13Å; M151-A153 VanDerWaalsContact O-N 3.13Å
154R59.3Low54.6Low234 Ų234172.1 Ų172.188%0.88385%0.846SS**PPolyproline II helixtrans-76.1133.9173-58.3-176.674.4-176.71.7108M152M152-R154 PolarHBondContact O-N 3.31Å
155P62.9Low54.7Low127 Ų127172.1 Ų172.183%0.82585%0.849SS**PPolyproline II helixtrans-77.5139.3170.230.7-30000110.3
156D54.7Low55Low168 Ų168177.9 Ų177.990%0.89887%0.865SS**PPolyproline II helixtrans-59.5130.1175.8-164.8-101.4000111.9
157R49.9Very low55.1Low308 Ų308177.7 Ų177.7100%1.16286%0.863SS**  trans-162.20152.2-155.4178.6-173.6-172.22.2111.6

Retrieved 157 of 157 residues in 182.4 ms (Link to these results)