A0A5K4F583_SCHMA Loading...

RNMT-activating mRNA cap methyltransferase subunit

AlphaFold DB , UniProt , Accession A0A5K4F583, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 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
1M40.8Very low70.2Confident234 Ų234141.1 Ų141.1100%1.15375%0.749SS**  0104.20-68.3-61.1-166.600106.1E3M1-E3 PolarHBondContact O-N 3.12Å; M1-E3 VanDerWaalsContact O-N 3.12Å
2S46.9Very low72.3Confident116 Ų116141.4 Ų141.481%0.81174%0.743SS**  trans-76.597.4-174.551.40000109.8T4S2-T4 PolarHBondContact O-N 3.21Å
3E53.8Low74.1Confident184 Ų184135.2 Ų135.286%0.8671%0.708SS**  trans-59.9110.7156.9-74.4168175.800107.2M1 P5M1-E3 PolarHBondContact O-N 3.12Å; M1-E3 VanDerWaalsContact O-N 3.12Å; E3-P5 WeakPolarHBondContact O-CD 3.41Å
4T63.2Low75.6Confident124 Ų124130.4 Ų130.476%0.76168%0.682SS**  trans-69.4117.7168.645.20000107.8S2S2-T4 PolarHBondContact O-N 3.21Å
5P57.5Low77Confident111 Ų111129.8 Ų129.872%0.72168%0.675SS**  trans-74.4133.2-173.731.4-33.8000110.2E3 R7E3-P5 WeakPolarHBondContact O-CD 3.41Å; P5-R7 PolarHBondContact O-N 2.7Å
6D69.5Low78.2Confident172 Ų172127.3 Ų127.392%0.9267%0.667SS**  trans27.138.9158.4-69.6-13.3000118.8L8D6-L8 PolarHBondContact O-N 3.12Å
7R80.7Confident79.2Confident179 Ų179127.4 Ų127.468%0.67567%0.665SS**  trans-79.6114.2170.4-175.7179.2173.9-173.1-2.9107.6P5 I9 E13P5-R7 PolarHBondContact O-N 2.7Å; R7-I9 PolarHBondContact O-N 2.6Å; R7-I9 VanDerWaalsContact O-N 3.12Å; R7-E13 IonicContact CZ-OE1 3.43Å; R7-E13 IonicContact NH1-OE1 3.93Å; R7-E13 IonicContact NH2-OE1 2.6Å; R7-E13 PolarHBondContact NH2-OE1 3.32Å; R7-E13 IonicContact NH2-OE2 3.68Å
8L85.3Confident80.1Confident164 Ų164125.6 Ų125.686%0.85965%0.652SS**  trans-61.1115164.8-63.4179.2000108.1D6D6-L8 PolarHBondContact O-N 3.12Å
9I87.7Confident81Confident91 Ų91126.6 Ų126.647%0.46765%0.65SS.*  trans-73.4130.9173.7-56172000107.2R7 E13 L14R7-I9 PolarHBondContact O-N 2.6Å; R7-I9 VanDerWaalsContact O-N 3.12Å; I9-E13 HydrophobicContact CG2-CB 3.69Å; I9-L14 HydrophobicContact CB-CD2 4.41Å; I9-L14 HydrophobicContact CB-CG 4.45Å; I9-L14 HydrophobicContact CG2-CD2 3.73Å; I9-L14 HydrophobicContact CG2-CG 3.71Å
10S91.9Very high81.9Confident50 Ų50123 Ų12335%0.3563%0.632SS.*  trans-72.9159.9178.4830000111.3E12 E13 L14S10-E12 VanDerWaalsContact C-N 3.29Å; S10-E12 PolarHBondContact O-N 3.45Å; S10-E12 PolarHBondContact OG-N 3.08Å; S10-E13 PolarHBondContact N-OE2 2.86Å; S10-E13 VanDerWaalsContact N-OE2 3.08Å; S10-E13 PolarHBondContact O-N 2.84Å; S10-E13 WeakPolarHBondContact OG-CG 3.37Å; S10-E13 PolarHBondContact OG-N 3.06Å; S10-L14 WeakPolarHBondContact O-CG 3.47Å; S10-L14 PolarHBondContact O-N 2.99Å; S10-L14 VanDerWaalsContact O-N 3.08Å
11L95Very high82.6Confident127 Ų127122.6 Ų122.667%0.66562%0.623SS**Hα-helixtrans-58.5-43.7173.2-170.8100.1000111.1E13 L14 E15L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 3.28Å; L11-L14 WeakPolarHBondContact O-CB 3.43Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-L14 VanDerWaalsContact O-N 3.11Å; L11-E15 VanDerWaalsContact CD2-OE1 3.26Å; L11-E15 WeakPolarHBondContact CD2-OE1 3.22Å; L11-E15 HydrophobicContact CG-CG 4.47Å; L11-E15 WeakPolarHBondContact O-CG 3.34Å; L11-E15 PolarHBondContact O-N 3.5Å
12E95.4Very high85.2Confident145 Ų145119.2 Ų119.268%0.67860%0.598SS**Hα-helixtrans-61.8-37.8179.5-175.5178.3-167.200112.2S10 E15 T16S10-E12 VanDerWaalsContact C-N 3.29Å; S10-E12 PolarHBondContact O-N 3.45Å; S10-E12 PolarHBondContact OG-N 3.08Å; E12-E15 PolarHBondContact O-N 2.82Å; E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.11Å; E12-T16 PolarHBondContact O-OG1 3.39Å
13E95.1Very high87.6Confident61 Ų61116.3 Ų116.329%0.28558%0.576SS.*Hα-helixtrans-64.7-44.4173.2-74.6178.1152.300111.2R7 I9 S10 L11 T16 M17R7-E13 IonicContact CZ-OE1 3.43Å; R7-E13 IonicContact NH1-OE1 3.93Å; R7-E13 IonicContact NH2-OE1 2.6Å; R7-E13 PolarHBondContact NH2-OE1 3.32Å; R7-E13 IonicContact NH2-OE2 3.68Å; I9-E13 HydrophobicContact CG2-CB 3.69Å; S10-E13 PolarHBondContact N-OE2 2.86Å; S10-E13 VanDerWaalsContact N-OE2 3.08Å; S10-E13 PolarHBondContact O-N 2.84Å; S10-E13 WeakPolarHBondContact OG-CG 3.37Å; S10-E13 PolarHBondContact OG-N 3.06Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 3.28Å; E13-T16 PolarHBondContact O-N 3.31Å; E13-M17 WeakPolarHBondContact O-CB 3.26Å; E13-M17 WeakPolarHBondContact O-CG 3.4Å; E13-M17 PolarHBondContact O-N 3.31Å
14L95.5Very high89.6Confident67 Ų67114.3 Ų114.335%0.35157%0.571SS.*Hα-helixtrans-64-43.6176.2-67.6172.5000111.8I9 S10 L11 T16 M17 F18I9-L14 HydrophobicContact CB-CD2 4.41Å; I9-L14 HydrophobicContact CB-CG 4.45Å; I9-L14 HydrophobicContact CG2-CD2 3.73Å; I9-L14 HydrophobicContact CG2-CG 3.71Å; S10-L14 WeakPolarHBondContact O-CG 3.47Å; S10-L14 PolarHBondContact O-N 2.99Å; S10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 WeakPolarHBondContact O-CB 3.43Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-L14 VanDerWaalsContact O-N 3.11Å; L14-T16 VanDerWaalsContact C-N 3.25Å; L14-T16 PolarHBondContact O-N 3.08Å; L14-M17 PolarHBondContact O-N 3.43Å; L14-F18 HydrophobicContact CB-CD2 4.48Å; L14-F18 HydrophobicContact CD2-CD2 4.36Å; L14-F18 HydrophobicContact CD2-CE2 3.94Å; L14-F18 WeakPolarHBondContact O-CB 3.42Å; L14-F18 VanDerWaalsContact O-CD2 3.26Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.43Å
15E96.4Very high91.2Very high122 Ų122115.9 Ų115.957%0.5757%0.567SS**Hα-helixtrans-58.7-40.7176-74.9176.5170.100111.2L11 E12 F18 K19L11-E15 VanDerWaalsContact CD2-OE1 3.26Å; L11-E15 WeakPolarHBondContact CD2-OE1 3.22Å; L11-E15 HydrophobicContact CG-CG 4.47Å; L11-E15 WeakPolarHBondContact O-CG 3.34Å; L11-E15 PolarHBondContact O-N 3.5Å; E12-E15 PolarHBondContact O-N 2.82Å; E15-F18 CarbonylContact O-C 3.57Å; E15-K19 VanDerWaalsContact O-CA 3.28Å; E15-K19 WeakPolarHBondContact O-CA 3.28Å; E15-K19 WeakPolarHBondContact O-CB 3.26Å; E15-K19 PolarHBondContact O-N 3.37Å
16T96.3Very high93.2Very high90 Ų90112 Ų11255%0.55254%0.54SS*.Hα-helixtrans-69.9-45.2176.6-57.20000112E12 E13 L14 F18 K19E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.11Å; E12-T16 PolarHBondContact O-OG1 3.39Å; E13-T16 PolarHBondContact O-N 3.31Å; L14-T16 VanDerWaalsContact C-N 3.25Å; L14-T16 PolarHBondContact O-N 3.08Å; T16-F18 VanDerWaalsContact C-N 3.26Å; T16-F18 PolarHBondContact O-N 2.96Å; T16-K19 WeakPolarHBondContact O-CG 3.38Å; T16-K19 PolarHBondContact O-N 2.91Å
17M94.8Very high94.4Very high129 Ų129109.2 Ų109.264%0.63553%0.53SS*.Hα-helixtrans-62.8-33.5179.4-76.2177.467.100112.5E13 L14E13-M17 WeakPolarHBondContact O-CB 3.26Å; E13-M17 WeakPolarHBondContact O-CG 3.4Å; E13-M17 PolarHBondContact O-N 3.31Å; L14-M17 PolarHBondContact O-N 3.43Å
18F96.7Very high95.1Very high95 Ų95106.7 Ų106.742%0.41753%0.529SS..THydrogen-bonded Turntrans-111.520.3-177-65.3-75.3000113.3L14 E15 T16 D20 R21L14-F18 HydrophobicContact CB-CD2 4.48Å; L14-F18 HydrophobicContact CD2-CD2 4.36Å; L14-F18 HydrophobicContact CD2-CE2 3.94Å; L14-F18 WeakPolarHBondContact O-CB 3.42Å; L14-F18 VanDerWaalsContact O-CD2 3.26Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.43Å; E15-F18 CarbonylContact O-C 3.57Å; T16-F18 VanDerWaalsContact C-N 3.26Å; T16-F18 PolarHBondContact O-N 2.96Å; F18-D20 PolarHBondContact O-N 2.93Å; F18-R21 HydrophobicContact CB-CB 4.17Å; F18-R21 WeakPolarHBondContact O-CB 3.42Å; F18-R21 PolarHBondContact O-N 3.06Å
19K97.1Very high95.7Very high145 Ų145102.4 Ų102.463%0.6350%0.502SS*.THydrogen-bonded Turntrans-53.7-31.3-178.470-176.8-177.4179.70114E15 T16E15-K19 VanDerWaalsContact O-CA 3.28Å; E15-K19 WeakPolarHBondContact O-CA 3.28Å; E15-K19 WeakPolarHBondContact O-CB 3.26Å; E15-K19 PolarHBondContact O-N 3.37Å; T16-K19 WeakPolarHBondContact O-CG 3.38Å; T16-K19 PolarHBondContact O-N 2.91Å
20D97.5Very high96.1Very high53 Ų53101.3 Ų101.328%0.28350%0.495SS..THydrogen-bonded Turntrans-96.92.1-176.8-66.3-50.8000112.1F18 Y22 T23 K25 D26F18-D20 PolarHBondContact O-N 2.93Å; D20-Y22 PolarHBondContact O-N 3.04Å; D20-T23 WeakPolarHBondContact O-CB 3.28Å; D20-T23 WeakPolarHBondContact O-CG2 3.1Å; D20-T23 PolarHBondContact O-N 3.38Å; D20-T23 PolarHBondContact O-OG1 2.64Å; D20-K25 HydrophobicContact CB-CB 3.96Å; D20-K25 VanDerWaalsContact OD1-CD 3.28Å; D20-K25 WeakPolarHBondContact OD1-CD 3.47Å; D20-D26 WeakPolarHBondContact O-CB 3.48Å
21R97Very high96.2Very high115 Ų115105.5 Ų105.543%0.43451%0.507SS..THydrogen-bonded Turntrans-56.6130.2-174.8-171.4-168-70.7169.2-6.1111.4F18 T23 D26F18-R21 HydrophobicContact CB-CB 4.17Å; F18-R21 WeakPolarHBondContact O-CB 3.42Å; F18-R21 PolarHBondContact O-N 3.06Å; R21-T23 PolarHBondContact O-N 3.03Å; R21-D26 WeakPolarHBondContact CA-OD2 3.35Å
22Y96.6Very high96.2Very high163 Ų163107.4 Ų107.464%0.63951%0.507SS*.THydrogen-bonded Turntrans61.418.4-177.5-45.7-56.3000115.5D20 D26 Y29D20-Y22 PolarHBondContact O-N 3.04Å; Y22-D26 PolarHBondContact N-OD2 3.23Å; Y22-Y29 AromaticContact CD1-CD2 3.88Å; Y22-Y29 HydrophobicContact CD1-CD2 3.88Å; Y22-Y29 HydrophobicContact CD1-CE2 4.26Å; Y22-Y29 HydrophobicContact CD1-CG 4.23Å; Y22-Y29 VanDerWaalsContact O-CE1 3.32Å; Y22-Y29 WeakPolarHBondContact O-CE1 3.34Å
23T96.9Very high96.2Very high55 Ų55104.9 Ų104.934%0.33750%0.497SS..SBendtrans-99.2178.1171.374.20000111.3D20 R21 K25 D26 Q30D20-T23 WeakPolarHBondContact O-CB 3.28Å; D20-T23 WeakPolarHBondContact O-CG2 3.1Å; D20-T23 PolarHBondContact O-N 3.38Å; D20-T23 PolarHBondContact O-OG1 2.64Å; R21-T23 PolarHBondContact O-N 3.03Å; T23-K25 PolarHBondContact O-N 3.13Å; T23-K25 VanDerWaalsContact O-N 3.14Å; T23-K25 PolarHBondContact OG1-N 3.4Å; T23-D26 WeakPolarHBondContact O-CB 3.33Å; T23-D26 PolarHBondContact O-N 2.89Å; T23-D26 VanDerWaalsContact O-N 3.08Å; T23-Q30 PolarHBondContact O-NE2 3.44Å
24D96.2Very high96.1Very high143 Ų143106.3 Ų106.377%0.76551%0.514SS*.THydrogen-bonded Turntrans-62.6-16.8173.6-63-25.3000113.9Q30D24-Q30 PolarHBondContact OD1-NE2 3.3Å
25K97Very high95.9Very high157 Ų157107.6 Ų107.668%0.68352%0.521SS*.THydrogen-bonded Turntrans-87.9-12.8177-64.3173.1-178.4174.40113.2D20 T23 V27D20-K25 HydrophobicContact CB-CB 3.96Å; D20-K25 VanDerWaalsContact OD1-CD 3.28Å; D20-K25 WeakPolarHBondContact OD1-CD 3.47Å; T23-K25 PolarHBondContact O-N 3.13Å; T23-K25 VanDerWaalsContact O-N 3.14Å; T23-K25 PolarHBondContact OG1-N 3.4Å; K25-V27 PolarHBondContact O-N 2.96Å
26D97.5Very high95.5Very high29 Ų29105.9 Ų105.916%0.15553%0.528CS..  trans-79.298.5177.5-176.6-16.2000110.4D20 R21 Y22 T23 N28 Y29 Q30D20-D26 WeakPolarHBondContact O-CB 3.48Å; R21-D26 WeakPolarHBondContact CA-OD2 3.35Å; Y22-D26 PolarHBondContact N-OD2 3.23Å; T23-D26 WeakPolarHBondContact O-CB 3.33Å; T23-D26 PolarHBondContact O-N 2.89Å; T23-D26 VanDerWaalsContact O-N 3.08Å; D26-N28 PolarHBondContact O-N 2.87Å; D26-N28 PolarHBondContact OD1-N 3.08Å; D26-Y29 VanDerWaalsContact CG-CB 3.41Å; D26-Y29 PolarHBondContact O-N 2.94Å; D26-Y29 VanDerWaalsContact O-N 3.13Å; D26-Y29 PolarHBondContact OD1-N 3.27Å; D26-Q30 WeakPolarHBondContact O-CG 3.37Å; D26-Q30 PolarHBondContact O-N 3.04Å
27V95.6Very high95.1Very high114 Ų114109.4 Ų109.469%0.69154%0.544SS*.Hα-helixtrans-55.8-37.5-178.8179.10000112.3K25 K31K25-V27 PolarHBondContact O-N 2.96Å; V27-K31 WeakPolarHBondContact O-CB 3.5Å; V27-K31 PolarHBondContact O-N 3.17Å
28N95.6Very high94.8Very high126 Ų126109.5 Ų109.567%0.67455%0.551SS**Hα-helixtrans-72.5-40.2-179.3-70.5-35.6000110.9D26 K31 Y32D26-N28 PolarHBondContact O-N 2.87Å; D26-N28 PolarHBondContact OD1-N 3.08Å; N28-K31 PolarHBondContact O-N 3.14Å; N28-Y32 WeakPolarHBondContact O-CB 3.32Å; N28-Y32 PolarHBondContact O-N 3.23Å
29Y96.8Very high94.6Very high74 Ų74109.7 Ų109.729%0.2956%0.562SS.*Hα-helixtrans-65.4-43.5175-178.3-122.5000112Y22 D26 K31 Y32 L33Y22-Y29 AromaticContact CD1-CD2 3.88Å; Y22-Y29 HydrophobicContact CD1-CD2 3.88Å; Y22-Y29 HydrophobicContact CD1-CE2 4.26Å; Y22-Y29 HydrophobicContact CD1-CG 4.23Å; Y22-Y29 VanDerWaalsContact O-CE1 3.32Å; Y22-Y29 WeakPolarHBondContact O-CE1 3.34Å; D26-Y29 VanDerWaalsContact CG-CB 3.41Å; D26-Y29 PolarHBondContact O-N 2.94Å; D26-Y29 VanDerWaalsContact O-N 3.13Å; D26-Y29 PolarHBondContact OD1-N 3.27Å; Y29-K31 VanDerWaalsContact C-N 3.32Å; Y29-K31 PolarHBondContact O-N 2.92Å; Y29-Y32 WeakPolarHBondContact O-CA 3.43Å; Y29-Y32 WeakPolarHBondContact O-CB 3.36Å; Y29-Y32 PolarHBondContact O-N 3.35Å; Y29-Y32 VanDerWaalsContact O-N 3.08Å; Y29-L33 HydrophobicContact CD1-CD1 4Å; Y29-L33 HydrophobicContact CD2-CG 4.44Å; Y29-L33 HydrophobicContact CE1-CD1 3.57Å; Y29-L33 HydrophobicContact CE1-CG 4.25Å; Y29-L33 HydrophobicContact CE2-CD1 4.32Å; Y29-L33 HydrophobicContact CE2-CD2 4.14Å; Y29-L33 HydrophobicContact CE2-CG 4.1Å; Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.45Å
30Q96.6Very high94.4Very high67 Ų67107.9 Ų107.931%0.31357%0.565SS.*Hα-helixtrans-63.1-39175.2-66.8-55.7-43.800112T23 D24 D26 Y32 L33 S34T23-Q30 PolarHBondContact O-NE2 3.44Å; D24-Q30 PolarHBondContact OD1-NE2 3.3Å; D26-Q30 WeakPolarHBondContact O-CG 3.37Å; D26-Q30 PolarHBondContact O-N 3.04Å; Q30-Y32 VanDerWaalsContact C-N 3.32Å; Q30-Y32 PolarHBondContact O-N 3.46Å; Q30-L33 PolarHBondContact O-N 3.38Å; Q30-S34 PolarHBondContact O-N 3.08Å; Q30-S34 PolarHBondContact O-OG 3.48Å; Q30-S34 VanDerWaalsContact O-OG 3.13Å
31K95.5Very high94.2Very high138 Ų138111.1 Ų111.160%0.659%0.589SS**Hα-helixtrans-62.6-40.6171.7-171.9177-179.9-179.10111.7V27 N28 Y29 S34 N35V27-K31 WeakPolarHBondContact O-CB 3.5Å; V27-K31 PolarHBondContact O-N 3.17Å; N28-K31 PolarHBondContact O-N 3.14Å; Y29-K31 VanDerWaalsContact C-N 3.32Å; Y29-K31 PolarHBondContact O-N 2.92Å; K31-S34 WeakPolarHBondContact CA-OG 3.47Å; K31-S34 PolarHBondContact O-N 3.42Å; K31-S34 PolarHBondContact O-OG 3.42Å; K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 3.13Å; K31-N35 PolarHBondContact O-ND2 3.23Å; K31-N35 PolarHBondContact O-OD1 2.99Å
32Y95Very high94Very high167 Ų167113 Ų11366%0.65561%0.606SS**Hα-helixtrans-62.8-45.2175.3176.5-95000112N28 Y29 Q30 S34 N35N28-Y32 WeakPolarHBondContact O-CB 3.32Å; N28-Y32 PolarHBondContact O-N 3.23Å; Y29-Y32 WeakPolarHBondContact O-CA 3.43Å; Y29-Y32 WeakPolarHBondContact O-CB 3.36Å; Y29-Y32 PolarHBondContact O-N 3.35Å; Y29-Y32 VanDerWaalsContact O-N 3.08Å; Q30-Y32 VanDerWaalsContact C-N 3.32Å; Q30-Y32 PolarHBondContact O-N 3.46Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.86Å; Y32-N35 WeakPolarHBondContact O-CB 3.45Å; Y32-N35 PolarHBondContact O-N 3.48Å
33L93.9Very high93.6Very high92 Ų92109.8 Ų109.848%0.48260%0.599SS.*Hα-helixtrans-64.7-31.7178-70.2177.3000113.5Y29 Q30 N35Y29-L33 HydrophobicContact CD1-CD1 4Å; Y29-L33 HydrophobicContact CD2-CG 4.44Å; Y29-L33 HydrophobicContact CE1-CD1 3.57Å; Y29-L33 HydrophobicContact CE1-CG 4.25Å; Y29-L33 HydrophobicContact CE2-CD1 4.32Å; Y29-L33 HydrophobicContact CE2-CD2 4.14Å; Y29-L33 HydrophobicContact CE2-CG 4.1Å; Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.45Å; Q30-L33 PolarHBondContact O-N 3.38Å; L33-N35 VanDerWaalsContact C-N 3.33Å
34S93.1Very high93.2Very high91 Ų91111.4 Ų111.464%0.63661%0.61SS**Hα-helixtrans-78.9-13.9177.459.20000114Q30 K31 Y32 A36Q30-S34 PolarHBondContact O-N 3.08Å; Q30-S34 PolarHBondContact O-OG 3.48Å; Q30-S34 VanDerWaalsContact O-OG 3.13Å; K31-S34 WeakPolarHBondContact CA-OG 3.47Å; K31-S34 PolarHBondContact O-N 3.42Å; K31-S34 PolarHBondContact O-OG 3.42Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.86Å; S34-A36 PolarHBondContact O-N 3.41Å
35N91.2Very high92.9Very high95 Ų95110.3 Ų110.351%0.50860%0.6SS.*SBendtrans-69.4132.9175.2-69.9-31.3000110K31 Y32 L33K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 3.13Å; K31-N35 PolarHBondContact O-ND2 3.23Å; K31-N35 PolarHBondContact O-OD1 2.99Å; Y32-N35 WeakPolarHBondContact O-CB 3.45Å; Y32-N35 PolarHBondContact O-N 3.48Å; L33-N35 VanDerWaalsContact C-N 3.33Å
36A88.1Confident92.3Very high86 Ų86109.8 Ų109.871%0.71159%0.594SS**  trans-60.7145.4167.700000109.9S34 V38S34-A36 PolarHBondContact O-N 3.41Å; A36-V38 PolarHBondContact O-N 3.02Å
37N87.6Confident91.6Very high164 Ų164113 Ų11388%0.87761%0.611SS**  trans-55.4115174.3-69.9-33.2000109.5P39N37-P39 WeakPolarHBondContact O-CD 3.32Å
38V89.4Confident90.9Very high131 Ų131113 Ų11379%0.79460%0.604SS**PPolyproline II helixtrans-71.8120.3177.7-178.60000107.7A36A36-V38 PolarHBondContact O-N 3.02Å
39P91.7Very high89.8Confident98 Ų98111 Ų11164%0.63659%0.592SS**PPolyproline II helixtrans-64150.5176.327.9-34000109.9N37N37-P39 WeakPolarHBondContact O-CD 3.32Å
40P93.8Very high88.4Confident107 Ų107109.8 Ų109.870%0.69559%0.591SS**PPolyproline II helixtrans-59152.3175.826.6-34.6000110.8I42P40-I42 PolarHBondContact O-N 3.37Å
41P93.4Very high86.8Confident122 Ų122114 Ų11479%0.79260%0.604SS**PPolyproline II helixtrans-63130.9-179.826.6-34.1000110.8
42I91.7Very high85.1Confident153 Ų153114.4 Ų114.479%0.78561%0.608SS**PPolyproline II helixtrans-98.7120.9172.1-60.2173.4000107.5P40 P44P40-I42 PolarHBondContact O-N 3.37Å; I42-P44 WeakPolarHBondContact O-CD 3.44Å
43I89.3Confident83.4Confident96 Ų96115.6 Ų115.649%0.49261%0.611SS.*  trans-95.1106.8174.9-55.6172.2000107.9W46 I49I43-W46 HydrophobicContact CB-CE3 4.3Å; I43-W46 HydrophobicContact CD1-CE3 3.91Å; I43-W46 HydrophobicContact CD1-CZ3 3.82Å; I43-W46 HydrophobicContact CG2-CE3 3.94Å; I43-I49 HydrophobicContact CG2-CD1 4.15Å
44P88.6Confident81.8Confident90 Ų90118.4 Ų118.458%0.58462%0.62SS**THydrogen-bonded Turntrans-66.3147.8175.531.1-35.4000109.6I42 W46I42-P44 WeakPolarHBondContact O-CD 3.44Å; P44-W46 VanDerWaalsContact C-N 3.28Å; P44-W46 PolarHBondContact O-N 3.47Å
45H88.7Confident80.2Confident120 Ų120118.6 Ų118.656%0.55661%0.614SS**THydrogen-bonded Turntrans58.332.3175.3-50.7-78.3000115.2D47 E48 I49H45-D47 PolarHBondContact O-N 3.46Å; H45-E48 HydrophobicContact CB-CB 4.09Å; H45-E48 HydrophobicContact CB-CG 4.07Å; H45-E48 IonicContact CE1-OE1 3.71Å; H45-E48 IonicContact CG-OE1 3.55Å; H45-E48 IonicContact CG-OE2 3.78Å; H45-E48 IonicContact ND1-OE1 2.76Å; H45-E48 PolarHBondContact ND1-OE1 3.34Å; H45-E48 IonicContact ND1-OE2 3.68Å; H45-E48 WeakPolarHBondContact O-CB 3.14Å; H45-E48 PolarHBondContact O-N 3.42Å; H45-I49 PolarHBondContact O-N 3.21Å
46W85.5Confident78.5Confident145 Ų145121 Ų12155%0.54962%0.622SS.*Hα-helixtrans-50-36.1176.7-178.6-107.4000113.4I43 P44 I49 N50I43-W46 HydrophobicContact CB-CE3 4.3Å; I43-W46 HydrophobicContact CD1-CE3 3.91Å; I43-W46 HydrophobicContact CD1-CZ3 3.82Å; I43-W46 HydrophobicContact CG2-CE3 3.94Å; P44-W46 VanDerWaalsContact C-N 3.28Å; P44-W46 PolarHBondContact O-N 3.47Å; W46-I49 HydrophobicContact CE3-CD1 4.5Å; W46-N50 PolarHBondContact NE1-ND2 2.76Å; W46-N50 PolarHBondContact O-N 2.88Å; W46-N50 PolarHBondContact O-ND2 3.25Å
47D83.3Confident77Confident97 Ų97127.4 Ų127.452%0.51963%0.627SS.*Hα-helixtrans-68.1-34.1177.2-74.9-5000113.3H45 N50 R51H45-D47 PolarHBondContact O-N 3.46Å; D47-N50 PolarHBondContact O-N 3.29Å; D47-R51 WeakPolarHBondContact O-CB 3.18Å; D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 PolarHBondContact O-N 3.24Å; D47-R51 IonicContact OD2-NH2 3.66Å
48E79.6Confident75.6Confident115 Ų115122.6 Ų122.654%0.53761%0.607SS.*Hα-helixtrans-69.8-41.5-178.8-65.3173.3-154.600110.7H45 N50 R51H45-E48 HydrophobicContact CB-CB 4.09Å; H45-E48 HydrophobicContact CB-CG 4.07Å; H45-E48 IonicContact CE1-OE1 3.71Å; H45-E48 IonicContact CG-OE1 3.55Å; H45-E48 IonicContact CG-OE2 3.78Å; H45-E48 IonicContact ND1-OE1 2.76Å; H45-E48 PolarHBondContact ND1-OE1 3.34Å; H45-E48 IonicContact ND1-OE2 3.68Å; H45-E48 WeakPolarHBondContact O-CB 3.14Å; H45-E48 PolarHBondContact O-N 3.42Å; E48-N50 PolarHBondContact O-N 3.38Å; E48-R51 PolarHBondContact O-N 3.06Å
49I72.4Confident74Confident83 Ų83123 Ų12343%0.42660%0.6SS.*Hα-helixtrans-56.6-35.6174.8-61.7169.8000111.2I43 H45 W46I43-I49 HydrophobicContact CG2-CD1 4.15Å; H45-I49 PolarHBondContact O-N 3.21Å; W46-I49 HydrophobicContact CE3-CD1 4.5Å
50N68.7Low72.3Confident49 Ų49127.7 Ų127.726%0.26261%0.605SS.*Hα-helixtrans-86.3-29.2-179.1-72.1-58.7000113.2W46 D47 E48 E52 R53 F54W46-N50 PolarHBondContact NE1-ND2 2.76Å; W46-N50 PolarHBondContact O-N 2.88Å; W46-N50 PolarHBondContact O-ND2 3.25Å; D47-N50 PolarHBondContact O-N 3.29Å; E48-N50 PolarHBondContact O-N 3.38Å; N50-E52 VanDerWaalsContact C-N 3.33Å; N50-E52 PolarHBondContact O-N 3.46Å; N50-R53 PolarHBondContact O-N 3.24Å; N50-F54 WeakPolarHBondContact O-CD2 3.49Å
51R63.4Low70.6Confident154 Ų154127.8 Ų127.858%0.58160%0.599SS**Hα-helixtrans-66-31.7-178.9-78.8170.8-156.1-115.65.7113.2D47 E48 R53 F54 N55D47-R51 WeakPolarHBondContact O-CB 3.18Å; D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 PolarHBondContact O-N 3.24Å; D47-R51 IonicContact OD2-NH2 3.66Å; E48-R51 PolarHBondContact O-N 3.06Å; R51-R53 PolarHBondContact O-N 2.89Å; R51-F54 PolarHBondContact O-N 3.35Å; R51-N55 PolarHBondContact O-N 3.28Å; R51-N55 PolarHBondContact O-ND2 3.28Å
52E59.4Low69Low147 Ų147125.9 Ų125.969%0.68758%0.583SS**Hα-helixtrans-59.6-32.2176.3-70.5-171.216200112.5N50 F54N50-E52 VanDerWaalsContact C-N 3.33Å; N50-E52 PolarHBondContact O-N 3.46Å; E52-F54 PolarHBondContact O-N 3.21Å
53R59.5Low67.5Low193 Ų193123.3 Ų123.373%0.72857%0.57SS**Hα-helixtrans-73.4-26.7-179.1-60.9-172.5-176-165.21.5113.5N50 R51N50-R53 PolarHBondContact O-N 3.24Å; R51-R53 PolarHBondContact O-N 2.89Å
54F59.8Low66.1Low151 Ų151126.3 Ų126.366%0.66258%0.576SS**Hα-helixtrans-90.2-20.8-175.8-66.2-73.6000113.7N50 R51 E52 H56 R57N50-F54 WeakPolarHBondContact O-CD2 3.49Å; R51-F54 PolarHBondContact O-N 3.35Å; E52-F54 PolarHBondContact O-N 3.21Å; F54-H56 VanDerWaalsContact C-N 3.33Å; F54-H56 PolarHBondContact O-N 3.4Å; F54-R57 PolarHBondContact O-N 3.17Å
55N58.3Low64.7Low94 Ų94130.6 Ų130.650%0.50358%0.581SS.*Hα-helixtrans-73.4-19.9-175.8-72.1-29.1000114.1R51 R57 S58R51-N55 PolarHBondContact O-N 3.28Å; R51-N55 PolarHBondContact O-ND2 3.28Å; N55-R57 VanDerWaalsContact C-N 3.3Å; N55-R57 PolarHBondContact O-N 2.98Å; N55-S58 PolarHBondContact O-OG 3.41Å
56H57.1Low63.3Low146 Ų146131.2 Ų131.268%0.67658%0.582SS**Hα-helixtrans-72.9-20.4177.1-68.2-51.9000114F54F54-H56 VanDerWaalsContact C-N 3.33Å; F54-H56 PolarHBondContact O-N 3.4Å
57R55.1Low62Low221 Ų221129.2 Ų129.283%0.83458%0.579SS**Hα-helixtrans-84.9-31.1-178-156.5173.3-169.7-174.72.8112.7F54 N55F54-R57 PolarHBondContact O-N 3.17Å; N55-R57 VanDerWaalsContact C-N 3.3Å; N55-R57 PolarHBondContact O-N 2.98Å
58S58.2Low60.9Low63 Ų63132.2 Ų132.244%0.44158%0.583SS.*Hα-helixtrans-75-31.6-179.364.80000112.7N55 N61N55-S58 PolarHBondContact O-OG 3.41Å; S58-N61 PolarHBondContact O-N 3.04Å
59Q57.8Low60Low138 Ų138131.5 Ų131.565%0.64558%0.583SS**Hα-helixtrans-69.7-34.1180-70.8-163.8-7.900113.3N61Q59-N61 VanDerWaalsContact C-N 3.31Å; Q59-N61 PolarHBondContact O-N 3.05Å
60R55.8Low59.4Low198 Ų198132.5 Ų132.575%0.74759%0.589SS**Hα-helixtrans-65.5-33.8176.5-83.9-171.5-178.8178.9-0.9112.7Y64R60-Y64 WeakPolarHBondContact O-CD2 3.24Å
61N57.4Low59.1Low108 Ų108137.8 Ų137.858%0.57861%0.61SS**Hα-helixtrans-80.8-24-172.3-133.3-3.9000113.4S58 Q59S58-N61 PolarHBondContact O-N 3.04Å; Q59-N61 VanDerWaalsContact C-N 3.31Å; Q59-N61 PolarHBondContact O-N 3.05Å
62N59.7Low58.9Low83 Ų83137.9 Ų137.944%0.44461%0.611SS.*Hα-helixtrans-73.9-37.5176.3-77.8-19000112Y64 R65 F66N62-Y64 VanDerWaalsContact C-N 3.31Å; N62-Y64 PolarHBondContact O-N 3.1Å; N62-R65 PolarHBondContact O-N 3.31Å; N62-R65 VanDerWaalsContact O-N 3.1Å; N62-F66 HydrophobicContact CB-CD2 4.27Å; N62-F66 HydrophobicContact CB-CE2 4.08Å; N62-F66 WeakPolarHBondContact O-CD2 3.43Å; N62-F66 PolarHBondContact O-N 3.4Å
63N60.3Low58.9Low98 Ų98140.6 Ų140.652%0.52461%0.614SS.*Hα-helixtrans-62-36.5-178.7-73.5-9.3000113Q67N63-Q67 WeakPolarHBondContact O-CB 3.09Å; N63-Q67 VanDerWaalsContact O-CG 3.24Å; N63-Q67 WeakPolarHBondContact O-CG 3.16Å; N63-Q67 PolarHBondContact O-N 3.36Å
64Y59.7Low59Low159 Ų159137.9 Ų137.962%0.62461%0.614SS**Hα-helixtrans-69.3-32.7175.8-69.1-73.7000113.3R60 N62 R68R60-Y64 WeakPolarHBondContact O-CD2 3.24Å; N62-Y64 VanDerWaalsContact C-N 3.31Å; N62-Y64 PolarHBondContact O-N 3.1Å; Y64-R68 WeakPolarHBondContact O-CB 3.16Å; Y64-R68 PolarHBondContact O-N 3.48Å
65R58.6Low59Low181 Ų181134.9 Ų134.968%0.68361%0.612SS**Hα-helixtrans-72.6-40.9176.6-74.6-173.9176.6-173.8-0.8112.1N62 R68 N69N62-R65 PolarHBondContact O-N 3.31Å; N62-R65 VanDerWaalsContact O-N 3.1Å; R65-R68 PolarHBondContact O-N 3.24Å; R65-N69 PolarHBondContact O-N 3.37Å
66F59.4Low59Low132 Ų132137.4 Ų137.458%0.57963%0.625SS**Hα-helixtrans-67.3-40.6176.6-73.7-69.2000112.2N62 R68 N69 N70N62-F66 HydrophobicContact CB-CD2 4.27Å; N62-F66 HydrophobicContact CB-CE2 4.08Å; N62-F66 WeakPolarHBondContact O-CD2 3.43Å; N62-F66 PolarHBondContact O-N 3.4Å; F66-R68 PolarHBondContact O-N 3.38Å; F66-N69 PolarHBondContact O-N 3.46Å; F66-N70 PolarHBondContact O-N 3.17Å
67Q59.7Low58.7Low103 Ų103140.9 Ų140.948%0.48165%0.649SS.*Hα-helixtrans-61.7-44.1175.2-73.5174.716.200111.7N63 N69 N70 F71N63-Q67 WeakPolarHBondContact O-CB 3.09Å; N63-Q67 VanDerWaalsContact O-CG 3.24Å; N63-Q67 WeakPolarHBondContact O-CG 3.16Å; N63-Q67 PolarHBondContact O-N 3.36Å; Q67-N69 VanDerWaalsContact C-N 3.32Å; Q67-N69 PolarHBondContact O-N 3.17Å; Q67-N70 PolarHBondContact O-N 3.2Å; Q67-F71 WeakPolarHBondContact O-CD2 3.44Å; Q67-F71 PolarHBondContact O-N 3.39Å
68R58.4Low58.9Low160 Ų160136.9 Ų136.960%0.60464%0.639SS**Hα-helixtrans-63.7-35.2-179.9-165.5-178.4-175.7-151.74.2113.4Y64 R65 F66 R72Y64-R68 WeakPolarHBondContact O-CB 3.16Å; Y64-R68 PolarHBondContact O-N 3.48Å; R65-R68 PolarHBondContact O-N 3.24Å; F66-R68 PolarHBondContact O-N 3.38Å; R68-R72 PolarHBondContact O-N 3.45Å
69N60.9Low59Low101 Ų101140.8 Ų140.854%0.5465%0.65SS.*Hα-helixtrans-72-31177.7-76.5-12.9000112.4R65 F66 Q67 R73R65-N69 PolarHBondContact O-N 3.37Å; F66-N69 PolarHBondContact O-N 3.46Å; Q67-N69 VanDerWaalsContact C-N 3.32Å; Q67-N69 PolarHBondContact O-N 3.17Å; N69-R73 PolarHBondContact O-N 3.41Å
70N61.1Low59Low103 Ų103140.9 Ų140.955%0.55165%0.65SS**Hα-helixtrans-71.5-38.3175.5-71.7-15.1000112.2F66 Q67 R72 R73 N74F66-N70 PolarHBondContact O-N 3.17Å; Q67-N70 PolarHBondContact O-N 3.2Å; N70-R72 VanDerWaalsContact C-N 3.32Å; N70-R72 PolarHBondContact O-N 3.38Å; N70-R73 PolarHBondContact O-N 3.23Å; N70-N74 PolarHBondContact O-N 3.37Å
71F61.2Low59.2Low161 Ų161137.6 Ų137.671%0.70664%0.644SS**Hα-helixtrans-65.7-31.6175.7-77.7-71000113.6Q67Q67-F71 WeakPolarHBondContact O-CD2 3.44Å; Q67-F71 PolarHBondContact O-N 3.39Å
72R59.3Low59.3Low156 Ų156139.4 Ų139.459%0.58965%0.649SS**Hα-helixtrans-76.1-25.9177.8-77.1-174.4171.6-166-5.6114.1R68 N70R68-R72 PolarHBondContact O-N 3.45Å; N70-R72 VanDerWaalsContact C-N 3.32Å; N70-R72 PolarHBondContact O-N 3.38Å
73R59.5Low59.3Low203 Ų203143.2 Ų143.277%0.76666%0.662SS**Hα-helixtrans-75.9-30.9176.8-97.7-174172.9-175.3-2.5112.6N69 N70N69-R73 PolarHBondContact O-N 3.41Å; N70-R73 PolarHBondContact O-N 3.23Å
74N61Low59.3Low136 Ų136146.4 Ų146.473%0.72767%0.672SS**THydrogen-bonded Turntrans-927.6-175.2-65.41.5000113.9N70N70-N74 PolarHBondContact O-N 3.37Å
75S60.8Low59.2Low88 Ų88145.5 Ų145.562%0.61568%0.676SS**THydrogen-bonded Turntrans-110.717.6179.289.70000113.6
76L59.3Low59.3Low148 Ų148142.5 Ų142.578%0.77568%0.675SS**  trans-122.810.5-175.9-85.7163.4000113.7
77D50.8Low59.3Low219 Ų219143.5 Ų143.5100%1.17168%0.684SS**  trans-119.10166.3-66.6-40000108.8

Retrieved 77 of 77 residues in 28.3 ms (Link to these results)