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U3 small nucleolar ribonucleoprotein protein IMP3

Component of the 60-80S U3 small nucleolar ribonucleoprotein (U3 snoRNP). Required for the early cleavages during pre-18S ribosomal RNA processing. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB (Q9NV31), UniProt , Accession A0A096NB33, Species PAPAN (Papio anubis, Olive baboon), Gene IMP3, Length 184 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
1M63.8Low87.8Confident241 Ų241129.2 Ų129.2100%1.18759%0.593SS**  0135.90-78.4178.2174.900108.1
2V80.9Confident88.1Confident93 Ų93130.8 Ų130.856%0.56461%0.608SS**PPolyproline II helixtrans-72146.9178.4-178.80000109.6F18V2-F18 HydrophobicContact CB-CD2 4.31Å; V2-F18 HydrophobicContact CB-CE2 4.46Å; V2-F18 HydrophobicContact CG1-CE2 4.23Å; V2-F18 HydrophobicContact CG2-CD2 3.62Å; V2-F18 HydrophobicContact CG2-CE2 3.85Å; V2-F18 HydrophobicContact CG2-CG 4.38Å
3R88.5Confident88.2Confident147 Ų147126.8 Ų126.856%0.55559%0.593SS**PPolyproline II helixtrans-58.1151176.269.3177.8176.897-4.7111.1L5 E9R3-L5 PolarHBondContact O-N 3.36Å; R3-E9 IonicContact CZ-OE1 2.76Å; R3-E9 IonicContact CZ-OE2 2.85Å; R3-E9 IonicContact NH1-OE1 2.87Å; R3-E9 PolarHBondContact NH1-OE1 3.07Å; R3-E9 VanDerWaalsContact NH1-OE1 3.15Å; R3-E9 IonicContact NH1-OE2 3.71Å; R3-E9 PolarHBondContact NH1-OE2 3.14Å; R3-E9 IonicContact NH2-OE1 2.68Å; R3-E9 PolarHBondContact NH2-OE1 3.45Å; R3-E9 IonicContact NH2-OE2 3.46Å; R3-E9 PolarHBondContact NH2-OE2 3.06Å
4K90Very high88.1Confident198 Ų198129.4 Ų129.486%0.86160%0.602SS**PPolyproline II helixtrans-62.3123.7169.9-170174.8-178.7178.90109.2
5L89.3Confident87.8Confident47 Ų47133.4 Ų133.425%0.24662%0.62CS.*PPolyproline II helixtrans-66.8139.7177.7-64.9-178.8000110.2R3 E9 Q10 L13R3-L5 PolarHBondContact O-N 3.36Å; L5-E9 WeakPolarHBondContact CA-OE2 3.35Å; L5-E9 HydrophobicContact CB-CB 3.97Å; L5-E9 HydrophobicContact CD2-CB 4.13Å; L5-E9 HydrophobicContact CG-CB 4.47Å; L5-Q10 HydrophobicContact CB-CB 4.17Å; L5-L13 HydrophobicContact CD1-CB 4.08Å; L5-L13 HydrophobicContact CD1-CD1 4.07Å; L5-L13 HydrophobicContact CD2-CD1 4.4Å
6K92.1Very high87.6Confident130 Ų130129.1 Ų129.157%0.56561%0.606SS**PPolyproline II helixtrans-66.8160.9169.4-64179.5-178.9176.90109.4H8 E9 Q10K6-H8 VanDerWaalsContact C-N 3.3Å; K6-H8 VanDerWaalsContact CD-CE1 3.49Å; K6-H8 WeakPolarHBondContact CD-CE1 3.35Å; K6-H8 PolarHBondContact O-N 3.25Å; K6-E9 HydrophobicContact CB-CG 4.17Å; K6-E9 PolarHBondContact N-OE2 3.17Å; K6-E9 WeakPolarHBondContact O-CB 3.34Å; K6-E9 PolarHBondContact O-N 3.35Å; K6-Q10 PolarHBondContact O-N 3.11Å
7F92.6Very high87.2Confident166 Ų166125.4 Ų125.473%0.72859%0.591SS**Hα-helixtrans-52.4-43.6-176.9179.8-101.9000113.8K11F7-K11 WeakPolarHBondContact O-CB 3.46Å; F7-K11 PolarHBondContact O-N 3.47Å
8H94.5Very high86.8Confident110 Ų110126.1 Ų126.151%0.50959%0.592SS.*Hα-helixtrans-68-37.6177.857.8-89.9000112.7K6 K11 L12K6-H8 VanDerWaalsContact C-N 3.3Å; K6-H8 VanDerWaalsContact CD-CE1 3.49Å; K6-H8 WeakPolarHBondContact CD-CE1 3.35Å; K6-H8 PolarHBondContact O-N 3.25Å; H8-K11 PolarHBondContact O-N 2.71Å; H8-L12 WeakPolarHBondContact O-CG 3.31Å; H8-L12 PolarHBondContact O-N 3.39Å
9E92.5Very high86.4Confident34 Ų34126.9 Ų126.916%0.15960%0.6CS.*Hα-helixtrans-67.5-45.3177.8-58.5171.8154.500110.6R3 L5 K6 K11 L12 L13R3-E9 IonicContact CZ-OE1 2.76Å; R3-E9 IonicContact CZ-OE2 2.85Å; R3-E9 IonicContact NH1-OE1 2.87Å; R3-E9 PolarHBondContact NH1-OE1 3.07Å; R3-E9 VanDerWaalsContact NH1-OE1 3.15Å; R3-E9 IonicContact NH1-OE2 3.71Å; R3-E9 PolarHBondContact NH1-OE2 3.14Å; R3-E9 IonicContact NH2-OE1 2.68Å; R3-E9 PolarHBondContact NH2-OE1 3.45Å; R3-E9 IonicContact NH2-OE2 3.46Å; R3-E9 PolarHBondContact NH2-OE2 3.06Å; L5-E9 WeakPolarHBondContact CA-OE2 3.35Å; L5-E9 HydrophobicContact CB-CB 3.97Å; L5-E9 HydrophobicContact CD2-CB 4.13Å; L5-E9 HydrophobicContact CG-CB 4.47Å; K6-E9 HydrophobicContact CB-CG 4.17Å; K6-E9 PolarHBondContact N-OE2 3.17Å; K6-E9 WeakPolarHBondContact O-CB 3.34Å; K6-E9 PolarHBondContact O-N 3.35Å; E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 2.7Å; E9-L12 PolarHBondContact O-N 3.14Å; E9-L13 WeakPolarHBondContact O-CB 3.44Å; E9-L13 WeakPolarHBondContact O-CG 3.42Å; E9-L13 PolarHBondContact O-N 3.4Å
10Q90.3Very high85.8Confident118 Ų118123.9 Ų123.955%0.55159%0.587SS**Hα-helixtrans-63.9-33.3176.6-169.4178.59.500111.9L5 K6 L12 L13 K14L5-Q10 HydrophobicContact CB-CB 4.17Å; K6-Q10 PolarHBondContact O-N 3.11Å; Q10-L12 VanDerWaalsContact C-N 3.34Å; Q10-L13 CarbonylContact O-C 3.58Å; Q10-K14 WeakPolarHBondContact O-CG 3.33Å; Q10-K14 PolarHBondContact O-N 2.98Å
11K91.1Very high85.4Confident137 Ų137125.6 Ų125.660%0.59659%0.588SS**Hα-helixtrans-68.4-31.9176.3-167.8178.1-178.8-178.10112.6F7 H8 E9 K14F7-K11 WeakPolarHBondContact O-CB 3.46Å; F7-K11 PolarHBondContact O-N 3.47Å; H8-K11 PolarHBondContact O-N 2.71Å; E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 2.7Å; K11-K14 WeakPolarHBondContact O-CE 3.42Å; K11-K14 WeakPolarHBondContact O-CG 3.47Å
12L91.7Very high85.6Confident148 Ų148122.3 Ų122.378%0.77557%0.57SS**Hα-helixtrans-81.7-42175.1-68.2171.2000111.7H8 E9 Q10 K14H8-L12 WeakPolarHBondContact O-CG 3.31Å; H8-L12 PolarHBondContact O-N 3.39Å; E9-L12 PolarHBondContact O-N 3.14Å; Q10-L12 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 2.9Å
13L89.5Confident85Confident80 Ų80124.4 Ų124.442%0.41958%0.583SS.*  trans-99.745.8-174-57.1178.7000112.3L5 E9 Q10 Q15 V16L5-L13 HydrophobicContact CD1-CB 4.08Å; L5-L13 HydrophobicContact CD1-CD1 4.07Å; L5-L13 HydrophobicContact CD2-CD1 4.4Å; E9-L13 WeakPolarHBondContact O-CB 3.44Å; E9-L13 WeakPolarHBondContact O-CG 3.42Å; E9-L13 PolarHBondContact O-N 3.4Å; Q10-L13 CarbonylContact O-C 3.58Å; L13-Q15 VanDerWaalsContact C-N 3.28Å; L13-Q15 PolarHBondContact O-N 3.35Å; L13-V16 HydrophobicContact CB-CB 4.04Å; L13-V16 HydrophobicContact CB-CG2 3.86Å; L13-V16 HydrophobicContact CD2-CG2 4.01Å; L13-V16 HydrophobicContact CG-CG2 4.43Å; L13-V16 PolarHBondContact O-N 3.24Å
14K86.5Confident83.7Confident163 Ų163119.2 Ų119.271%0.70957%0.567SS**THydrogen-bonded Turntrans-62.1-33.5-175.4-68.7-178.7-179-179.20114.1Q10 K11 L12Q10-K14 WeakPolarHBondContact O-CG 3.33Å; Q10-K14 PolarHBondContact O-N 2.98Å; K11-K14 WeakPolarHBondContact O-CE 3.42Å; K11-K14 WeakPolarHBondContact O-CG 3.47Å; L12-K14 PolarHBondContact O-N 2.9Å
15Q84Confident82.3Confident189 Ų189113.8 Ų113.888%0.88355%0.548SS*.THydrogen-bonded Turntrans-91.1-3.3-178.1-67.7178.8-19.500112.9L13 D17L13-Q15 VanDerWaalsContact C-N 3.28Å; L13-Q15 PolarHBondContact O-N 3.35Å; Q15-D17 PolarHBondContact O-N 3.1Å
16V83.9Confident81.1Confident65 Ų65118.5 Ų118.539%0.39457%0.568SS.*  trans-87.699.1-177.5-176.80000109.3L13 F18L13-V16 HydrophobicContact CB-CB 4.04Å; L13-V16 HydrophobicContact CB-CG2 3.86Å; L13-V16 HydrophobicContact CD2-CG2 4.01Å; L13-V16 HydrophobicContact CG-CG2 4.43Å; L13-V16 PolarHBondContact O-N 3.24Å; V16-F18 HydrophobicContact CG1-CD2 4.26Å; V16-F18 HydrophobicContact CG1-CE1 4.31Å; V16-F18 HydrophobicContact CG1-CE2 3.74Å; V16-F18 HydrophobicContact CG1-CZ 3.77Å
17D81.1Confident80.4Confident65 Ų65114.7 Ų114.735%0.34855%0.554SS.*  trans-120.2122.7160.6-173.1-19.6000107.4Q15 L19 N20 W21Q15-D17 PolarHBondContact O-N 3.1Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 WeakPolarHBondContact OD1-CA 3.36Å; D17-L19 PolarHBondContact OD1-N 3.14Å; D17-N20 WeakPolarHBondContact CB-O 3.16Å; D17-N20 PolarHBondContact OD1-N 3.27Å; D17-N20 WeakPolarHBondContact OD2-CB 3.2Å; D17-N20 PolarHBondContact OD2-ND2 3.22Å; D17-W21 PolarHBondContact O-NE1 2.85Å
18F81Confident79.9Confident139 Ų139109.3 Ų109.361%0.6153%0.533SS*.SBendtrans-81.2-13.8179.4-67.5-74.1000113.1V2 V16V2-F18 HydrophobicContact CB-CD2 4.31Å; V2-F18 HydrophobicContact CB-CE2 4.46Å; V2-F18 HydrophobicContact CG1-CE2 4.23Å; V2-F18 HydrophobicContact CG2-CD2 3.62Å; V2-F18 HydrophobicContact CG2-CE2 3.85Å; V2-F18 HydrophobicContact CG2-CG 4.38Å; V16-F18 HydrophobicContact CG1-CD2 4.26Å; V16-F18 HydrophobicContact CG1-CE1 4.31Å; V16-F18 HydrophobicContact CG1-CE2 3.74Å; V16-F18 HydrophobicContact CG1-CZ 3.77Å
19L78.1Confident79.5Confident142 Ų142108.6 Ų108.674%0.74353%0.53SS*.SBendtrans-104.8-44.1-175.4-59.9177.4000111.5D17D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 WeakPolarHBondContact OD1-CA 3.36Å; D17-L19 PolarHBondContact OD1-N 3.14Å
20N75.7Confident79.3Confident65 Ų65107.6 Ų107.635%0.34853%0.525SS..  trans-113.397.5-176.5-43.4-50.2000110D17 L28D17-N20 WeakPolarHBondContact CB-O 3.16Å; D17-N20 PolarHBondContact OD1-N 3.27Å; D17-N20 WeakPolarHBondContact OD2-CB 3.2Å; D17-N20 PolarHBondContact OD2-ND2 3.22Å; N20-L28 HydrophobicContact CB-CD1 4.34Å; N20-L28 WeakPolarHBondContact OD1-CD1 3.32Å
21W75.8Confident79.2Confident160 Ų160105.4 Ų105.461%0.60652%0.516SS*.  trans-90.8139.8170.3-61-9.5000109.2D17 V23 T24 D25D17-W21 PolarHBondContact O-NE1 2.85Å; W21-V23 VanDerWaalsContact C-N 3.28Å; W21-V23 PolarHBondContact O-N 3.02Å; W21-T24 CarbonylContact O-C 3.59Å; W21-T24 WeakPolarHBondContact O-CA 3.15Å; W21-T24 WeakPolarHBondContact O-CB 3.38Å; W21-T24 PolarHBondContact O-N 3.18Å; W21-D25 PolarHBondContact O-N 3.33Å
22E69.7Low79.2Confident173 Ų173106.7 Ų106.781%0.80852%0.517SS*.G310 helixtrans-56.7-40.3-179.6-64.2-179.5172.700112.6T24 D25E22-T24 PolarHBondContact O-N 3.08Å; E22-T24 VanDerWaalsContact O-N 3.16Å; E22-D25 PolarHBondContact O-N 2.81Å
23V67.5Low79.2Confident137 Ų13799.9 Ų99.983%0.8348%0.482SS*.G310 helixtrans-61.2-26.7174.2-175.90000111.5W21W21-V23 VanDerWaalsContact C-N 3.28Å; W21-V23 PolarHBondContact O-N 3.02Å
24T61.9Low79.4Confident37 Ų3797.1 Ų97.123%0.22747%0.468CS..G310 helixtrans-106.51.7-171.4-46.80000112W21 E22 H26 N27W21-T24 CarbonylContact O-C 3.59Å; W21-T24 WeakPolarHBondContact O-CA 3.15Å; W21-T24 WeakPolarHBondContact O-CB 3.38Å; W21-T24 PolarHBondContact O-N 3.18Å; E22-T24 PolarHBondContact O-N 3.08Å; E22-T24 VanDerWaalsContact O-N 3.16Å; T24-H26 PolarHBondContact O-N 2.81Å; T24-H26 VanDerWaalsContact O-N 3.08Å; T24-N27 HydrophobicContact CG2-CB 3.78Å; T24-N27 WeakPolarHBondContact CG2-ND2 3.27Å; T24-N27 WeakPolarHBondContact O-CA 3.21Å; T24-N27 WeakPolarHBondContact O-CB 3.48Å; T24-N27 PolarHBondContact O-N 3.14Å
25D59.1Low79.7Confident84 Ų8497.8 Ų97.845%0.44947%0.466SS..Hα-helixtrans-59.5-26.8-179.3-103.9-12.1000112.3W21 E22 N27 L28W21-D25 PolarHBondContact O-N 3.33Å; E22-D25 PolarHBondContact O-N 2.81Å; D25-N27 PolarHBondContact O-N 2.93Å; D25-L28 PolarHBondContact O-N 2.79Å; D25-L28 VanDerWaalsContact O-N 3.1Å
26H65.5Low80.1Confident147 Ų14797.5 Ų97.568%0.68146%0.457SS*.Hα-helixtrans-57.2-29.6169.2-67.187.9000112.7T24 H29 E30T24-H26 PolarHBondContact O-N 2.81Å; T24-H26 VanDerWaalsContact O-N 3.08Å; H26-H29 PolarHBondContact O-N 2.96Å; H26-E30 WeakPolarHBondContact O-CB 3.41Å; H26-E30 PolarHBondContact O-N 3.25Å
27N76.1Confident80.6Confident49 Ų4995.4 Ų95.426%0.26244%0.442SS..Hα-helixtrans-68.3-34.2176.3-67.76.1000112.1T24 D25 H29 E30 L31 R42T24-N27 HydrophobicContact CG2-CB 3.78Å; T24-N27 WeakPolarHBondContact CG2-ND2 3.27Å; T24-N27 WeakPolarHBondContact O-CA 3.21Å; T24-N27 WeakPolarHBondContact O-CB 3.48Å; T24-N27 PolarHBondContact O-N 3.14Å; D25-N27 PolarHBondContact O-N 2.93Å; N27-H29 VanDerWaalsContact C-N 3.34Å; N27-E30 PolarHBondContact O-N 3.42Å; N27-L31 VanDerWaalsContact O-CB 3.23Å; N27-L31 WeakPolarHBondContact O-CB 3.46Å; N27-L31 WeakPolarHBondContact O-CG 3.35Å; N27-L31 PolarHBondContact O-N 2.99Å; N27-R42 PolarHBondContact ND2-NH2 3.22Å; N27-R42 PolarHBondContact OD1-NH2 3.47Å
28L83.6Confident81.2Confident54 Ų5498.4 Ų98.428%0.28345%0.448SS..Hα-helixtrans-67.8-38.6178.1-68.7-178.8000111.4N20 D25 R32N20-L28 HydrophobicContact CB-CD1 4.34Å; N20-L28 WeakPolarHBondContact OD1-CD1 3.32Å; D25-L28 PolarHBondContact O-N 2.79Å; D25-L28 VanDerWaalsContact O-N 3.1Å; L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 VanDerWaalsContact O-CG 3.25Å; L28-R32 WeakPolarHBondContact O-CG 3.12Å; L28-R32 PolarHBondContact O-N 2.85Å; L28-R32 PolarHBondContact O-NE 2.97Å
29H85.1Confident81.7Confident95 Ų9592.5 Ų92.544%0.4442%0.423SS..Hα-helixtrans-67-46.7174.4-177.970.9000110.7H26 N27 L31 R32 V33 Y45H26-H29 PolarHBondContact O-N 2.96Å; N27-H29 VanDerWaalsContact C-N 3.34Å; H29-L31 PolarHBondContact O-N 2.95Å; H29-R32 WeakPolarHBondContact O-CB 3.46Å; H29-R32 PolarHBondContact O-N 3.23Å; H29-V33 WeakPolarHBondContact O-CG2 3.43Å; H29-V33 PolarHBondContact O-N 3.36Å; H29-Y45 PolarHBondContact CD2-OH 3.33Å; H29-Y45 VanDerWaalsContact CD2-OH 3.26Å
30E87.9Confident82.2Confident12 Ų1290.5 Ų90.56%0.05641%0.41CS..Hα-helixtrans-55.7-51.9174.4171.1172-162.400111.9H26 N27 R32 V33 L34 R42 Y45H26-E30 WeakPolarHBondContact O-CB 3.41Å; H26-E30 PolarHBondContact O-N 3.25Å; N27-E30 PolarHBondContact O-N 3.42Å; E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 3.37Å; E30-V33 CarbonylContact O-C 3.6Å; E30-V33 PolarHBondContact O-N 2.94Å; E30-L34 HydrophobicContact CG-CD1 3.72Å; E30-L34 HydrophobicContact CG-CG 4.09Å; E30-L34 WeakPolarHBondContact O-CB 3.39Å; E30-L34 VanDerWaalsContact O-CG 3.28Å; E30-L34 WeakPolarHBondContact O-CG 3.27Å; E30-L34 PolarHBondContact O-N 3.16Å; E30-R42 WeakPolarHBondContact OE1-CD 3.43Å; E30-R42 WeakPolarHBondContact OE1-CG 3.41Å; E30-R42 IonicContact OE1-CZ 2.73Å; E30-R42 IonicContact OE1-NE 3.43Å; E30-R42 PolarHBondContact OE1-NE 3.18Å; E30-R42 IonicContact OE1-NH2 2.99Å; E30-R42 IonicContact OE2-CZ 3.87Å; E30-R42 IonicContact OE2-NE 2.72Å; E30-R42 PolarHBondContact OE2-NE 2.93Å; E30-R42 IonicContact OE2-NH2 3.31Å; E30-R42 PolarHBondContact OE2-NH2 3.24Å; E30-Y45 HydrophobicContact CB-CD1 3.94Å; E30-Y45 HydrophobicContact CB-CE1 3.54Å; E30-Y45 HydrophobicContact CG-CD1 3.41Å; E30-Y45 VanDerWaalsContact CG-CD1 3.41Å; E30-Y45 HydrophobicContact CG-CE1 3.59Å; E30-Y45 HydrophobicContact CG-CG 4.1Å
31L89.1Confident82.9Confident72 Ų7293 Ų9338%0.37741%0.414SS..Hα-helixtrans-59.8-37.3177.9-72.9171.5000111.9N27 H29 L34 R35N27-L31 VanDerWaalsContact O-CB 3.23Å; N27-L31 WeakPolarHBondContact O-CB 3.46Å; N27-L31 WeakPolarHBondContact O-CG 3.35Å; N27-L31 PolarHBondContact O-N 2.99Å; H29-L31 PolarHBondContact O-N 2.95Å; L31-L34 HydrophobicContact CD2-CD1 4.25Å; L31-R35 VanDerWaalsContact O-CB 3.31Å; L31-R35 WeakPolarHBondContact O-CB 3.37Å; L31-R35 VanDerWaalsContact O-CG 3.24Å; L31-R35 WeakPolarHBondContact O-CG 3.29Å; L31-R35 PolarHBondContact O-N 2.78Å
32R91Very high83.6Confident164 Ų16491.2 Ų91.262%0.61941%0.407SS*.Hα-helixtrans-61.7-45.2172.8-81.6-179.5-102.3-176.5-8.7111.3L28 H29 E30 R36L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 VanDerWaalsContact O-CG 3.25Å; L28-R32 WeakPolarHBondContact O-CG 3.12Å; L28-R32 PolarHBondContact O-N 2.85Å; L28-R32 PolarHBondContact O-NE 2.97Å; H29-R32 WeakPolarHBondContact O-CB 3.46Å; H29-R32 PolarHBondContact O-N 3.23Å; E30-R32 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 3.37Å; R32-R36 WeakPolarHBondContact O-CB 3.32Å; R32-R36 PolarHBondContact O-N 3.28Å
33V92Very high84.7Confident6 Ų688.2 Ų88.24%0.03639%0.394CS..Hα-helixtrans-68-46.4178.21790000111.3H29 E30 R35 R36 Y37 L39 Y45H29-V33 WeakPolarHBondContact O-CG2 3.43Å; H29-V33 PolarHBondContact O-N 3.36Å; E30-V33 CarbonylContact O-C 3.6Å; E30-V33 PolarHBondContact O-N 2.94Å; V33-R35 VanDerWaalsContact C-N 3.32Å; V33-R35 PolarHBondContact O-N 3Å; V33-R36 PolarHBondContact O-N 3.39Å; V33-Y37 HydrophobicContact CG1-CD2 3.7Å; V33-Y37 HydrophobicContact CG1-CE2 4.09Å; V33-Y37 PolarHBondContact O-N 3.39Å; V33-L39 HydrophobicContact CG1-CD1 4.26Å; V33-Y45 HydrophobicContact CB-CD2 4.14Å; V33-Y45 HydrophobicContact CB-CE2 3.78Å; V33-Y45 HydrophobicContact CG1-CD2 3.77Å; V33-Y45 HydrophobicContact CG1-CE2 3.67Å; V33-Y45 HydrophobicContact CG2-CE2 4.04Å
34L92.5Very high86Confident22 Ų2282.1 Ų82.112%0.11536%0.356CS..Hα-helixtrans-55.4-46.4176-68.4171000110.9E30 L31 R38 L39 R42E30-L34 HydrophobicContact CG-CD1 3.72Å; E30-L34 HydrophobicContact CG-CG 4.09Å; E30-L34 WeakPolarHBondContact O-CB 3.39Å; E30-L34 VanDerWaalsContact O-CG 3.28Å; E30-L34 WeakPolarHBondContact O-CG 3.27Å; E30-L34 PolarHBondContact O-N 3.16Å; L31-L34 HydrophobicContact CD2-CD1 4.25Å; L34-R38 WeakPolarHBondContact O-CA 3.05Å; L34-R38 PolarHBondContact O-N 2.83Å; L34-L39 HydrophobicContact CD2-CB 3.55Å; L34-L39 HydrophobicContact CD2-CD1 3.75Å; L34-L39 HydrophobicContact CD2-CG 4.22Å; L34-L39 PolarHBondContact O-N 3.39Å; L34-R42 HydrophobicContact CD1-CG 4.3Å
35R92.7Very high87.5Confident176 Ų17681.2 Ų81.266%0.66435%0.349SS*.Hα-helixtrans-67.7-44.1177.2-73.5178.9-171.7-171.94.2112.4L31 V33L31-R35 VanDerWaalsContact O-CB 3.31Å; L31-R35 WeakPolarHBondContact O-CB 3.37Å; L31-R35 VanDerWaalsContact O-CG 3.24Å; L31-R35 WeakPolarHBondContact O-CG 3.29Å; L31-R35 PolarHBondContact O-N 2.78Å; V33-R35 VanDerWaalsContact C-N 3.32Å; V33-R35 PolarHBondContact O-N 3Å
36R93.3Very high89.1Confident184 Ų18480.1 Ų80.169%0.69435%0.345SS*.Hα-helixtrans-62.6-44-177.9-178.9176-177.1167.73.6112.2R32 V33 L124R32-R36 WeakPolarHBondContact O-CB 3.32Å; R32-R36 PolarHBondContact O-N 3.28Å; V33-R36 PolarHBondContact O-N 3.39Å; R36-L124 WeakPolarHBondContact O-CD2 3.31Å
37Y94Very high90.5Very high20 Ų2078.4 Ų78.48%0.07833%0.333CS..THydrogen-bonded Turntrans-102.59.3-177.5-62.1-74.9000113.8V33 L39 C107 R108 T113 L124V33-Y37 HydrophobicContact CG1-CD2 3.7Å; V33-Y37 HydrophobicContact CG1-CE2 4.09Å; V33-Y37 PolarHBondContact O-N 3.39Å; Y37-L39 PolarHBondContact O-N 2.78Å; Y37-C107 HydrophobicContact CD1-CB 3.91Å; Y37-C107 HydrophobicContact CD2-CB 3.54Å; Y37-C107 HydrophobicContact CE1-CB 4.28Å; Y37-C107 HydrophobicContact CE2-CB 3.92Å; Y37-C107 HydrophobicContact CG-CB 3.52Å; Y37-R108 HydrophobicContact CE1-CG 3.69Å; Y37-R108 WeakPolarHBondContact OH-CG 3.36Å; Y37-T113 HydrophobicContact CD1-CG2 4.36Å; Y37-T113 HydrophobicContact CE1-CG2 4.37Å; Y37-L124 VanDerWaalsContact CA-CD2 3.46Å; Y37-L124 WeakPolarHBondContact O-CD2 3.14Å
38R92.6Very high91.4Very high129 Ų12977 Ų7749%0.48732%0.324SS..THydrogen-bonded Turntrans46.746.6-179.6-62.2-62.4-169.1-158.93.2112.8L34 Q40 L124 V128L34-R38 WeakPolarHBondContact O-CA 3.05Å; L34-R38 PolarHBondContact O-N 2.83Å; R38-Q40 PolarHBondContact O-N 2.9Å; R38-L124 HydrophobicContact CB-CD2 4.05Å; R38-L124 HydrophobicContact CB-CG 4.33Å; R38-L124 HydrophobicContact CG-CB 4.43Å; R38-L124 HydrophobicContact CG-CD2 3.91Å; R38-L124 HydrophobicContact CG-CG 4.18Å; R38-V128 HydrophobicContact CB-CG2 4.38Å
39L92.3Very high91.9Very high15 Ų1577.6 Ų77.68%0.07933%0.328CS..  trans-69.7122.8176-56.8175.8000108.6V33 L34 Y37 Y45V33-L39 HydrophobicContact CG1-CD1 4.26Å; L34-L39 HydrophobicContact CD2-CB 3.55Å; L34-L39 HydrophobicContact CD2-CD1 3.75Å; L34-L39 HydrophobicContact CD2-CG 4.22Å; L34-L39 PolarHBondContact O-N 3.39Å; Y37-L39 PolarHBondContact O-N 2.78Å; L39-Y45 HydrophobicContact CD1-CD2 4.26Å
40Q89.1Confident92.4Very high100 Ų10079.1 Ų79.147%0.46734%0.335SS..SBendtrans-72.7-45.3-177.8-66.6174.9-17.800112.2R38 E132R38-Q40 PolarHBondContact O-N 2.9Å; Q40-E132 PolarHBondContact NE2-OE1 3.34Å
41R91.1Very high92.8Very high116 Ų11682.9 Ų82.944%0.43836%0.355SS..  trans-103.2131.1-178.4-60.8-178.6-63.2-162.5-5.9110.3E43 D44R41-E43 PolarHBondContact O-N 3.4Å; R41-D44 IonicContact CZ-OD1 3.52Å; R41-D44 IonicContact CZ-OD2 3.18Å; R41-D44 IonicContact NE-OD1 3.6Å; R41-D44 PolarHBondContact NE-OD1 3.41Å; R41-D44 IonicContact NE-OD2 3.48Å; R41-D44 PolarHBondContact NE-OD2 3.41Å; R41-D44 IonicContact NH2-OD1 2.63Å; R41-D44 PolarHBondContact NH2-OD1 2.85Å; R41-D44 IonicContact NH2-OD2 2.79Å; R41-D44 PolarHBondContact NH2-OD2 2.87Å; R41-D44 PolarHBondContact O-N 3.36Å
42R90.5Very high93.1Very high123 Ų12379.5 Ų79.546%0.46434%0.337SS..Hα-helixtrans-60.8-35.6172.3-168.3174.4179.6172.3-2.1112N27 E30 L34 D44 Y45 T46N27-R42 PolarHBondContact ND2-NH2 3.22Å; N27-R42 PolarHBondContact OD1-NH2 3.47Å; E30-R42 WeakPolarHBondContact OE1-CD 3.43Å; E30-R42 WeakPolarHBondContact OE1-CG 3.41Å; E30-R42 IonicContact OE1-CZ 2.73Å; E30-R42 IonicContact OE1-NE 3.43Å; E30-R42 PolarHBondContact OE1-NE 3.18Å; E30-R42 IonicContact OE1-NH2 2.99Å; E30-R42 IonicContact OE2-CZ 3.87Å; E30-R42 IonicContact OE2-NE 2.72Å; E30-R42 PolarHBondContact OE2-NE 2.93Å; E30-R42 IonicContact OE2-NH2 3.31Å; E30-R42 PolarHBondContact OE2-NH2 3.24Å; L34-R42 HydrophobicContact CD1-CG 4.3Å; R42-D44 VanDerWaalsContact C-N 3.26Å; R42-D44 PolarHBondContact O-N 2.99Å; R42-Y45 WeakPolarHBondContact O-CB 3.46Å; R42-Y45 PolarHBondContact O-N 3.49Å; R42-Y45 VanDerWaalsContact O-N 3.17Å; R42-T46 PolarHBondContact O-N 2.95Å
43E92.5Very high93.3Very high111 Ų11179.4 Ų79.452%0.51934%0.337SS..Hα-helixtrans-57.8-36.2178.5-62.4177.2-169.500113.4R41 Y45 T46 R47R41-E43 PolarHBondContact O-N 3.4Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.41Å; E43-T46 PolarHBondContact O-N 3.03Å; E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.5Å; E43-R47 IonicContact OE2-CZ 3.7Å; E43-R47 IonicContact OE2-NH1 3.14Å; E43-R47 PolarHBondContact OE2-NH1 3.34Å; E43-R47 IonicContact OE2-NH2 3.94Å; E43-R47 PolarHBondContact OE2-NH2 3.49Å
44D93.2Very high93.5Very high8 Ų881.7 Ų81.74%0.04336%0.356CS..Hα-helixtrans-62.1-41.4-179.6-66.5-16.7000110.3R41 R42 R47 Y48 R110R41-D44 IonicContact CZ-OD1 3.52Å; R41-D44 IonicContact CZ-OD2 3.18Å; R41-D44 IonicContact NE-OD1 3.6Å; R41-D44 PolarHBondContact NE-OD1 3.41Å; R41-D44 IonicContact NE-OD2 3.48Å; R41-D44 PolarHBondContact NE-OD2 3.41Å; R41-D44 IonicContact NH2-OD1 2.63Å; R41-D44 PolarHBondContact NH2-OD1 2.85Å; R41-D44 IonicContact NH2-OD2 2.79Å; R41-D44 PolarHBondContact NH2-OD2 2.87Å; R41-D44 PolarHBondContact O-N 3.36Å; R42-D44 VanDerWaalsContact C-N 3.26Å; R42-D44 PolarHBondContact O-N 2.99Å; D44-R47 PolarHBondContact O-N 2.92Å; D44-R47 IonicContact OD1-NH1 2.68Å; D44-R47 PolarHBondContact OD1-NH1 3.05Å; D44-Y48 HydrophobicContact CB-CE2 4.03Å; D44-Y48 WeakPolarHBondContact O-CB 3.41Å; D44-Y48 WeakPolarHBondContact O-CD2 3.31Å; D44-Y48 PolarHBondContact O-N 3.06Å; D44-R110 IonicContact OD2-NH1 2.67Å
45Y93.4Very high93.7Very high18 Ų1881.7 Ų81.77%0.07136%0.357CS..Hα-helixtrans-62.6-45.4175.1178.1-97.9000111.8H29 E30 V33 L39 R42 E43 R47 Y48 N49 A103H29-Y45 PolarHBondContact CD2-OH 3.33Å; H29-Y45 VanDerWaalsContact CD2-OH 3.26Å; E30-Y45 HydrophobicContact CB-CD1 3.94Å; E30-Y45 HydrophobicContact CB-CE1 3.54Å; E30-Y45 HydrophobicContact CG-CD1 3.41Å; E30-Y45 VanDerWaalsContact CG-CD1 3.41Å; E30-Y45 HydrophobicContact CG-CE1 3.59Å; E30-Y45 HydrophobicContact CG-CG 4.1Å; V33-Y45 HydrophobicContact CB-CD2 4.14Å; V33-Y45 HydrophobicContact CB-CE2 3.78Å; V33-Y45 HydrophobicContact CG1-CD2 3.77Å; V33-Y45 HydrophobicContact CG1-CE2 3.67Å; V33-Y45 HydrophobicContact CG2-CE2 4.04Å; L39-Y45 HydrophobicContact CD1-CD2 4.26Å; R42-Y45 WeakPolarHBondContact O-CB 3.46Å; R42-Y45 PolarHBondContact O-N 3.49Å; R42-Y45 VanDerWaalsContact O-N 3.17Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 3.41Å; Y45-R47 PolarHBondContact O-N 2.86Å; Y45-Y48 PolarHBondContact O-N 3.41Å; Y45-N49 WeakPolarHBondContact O-CB 3.37Å; Y45-N49 PolarHBondContact O-N 3.08Å; Y45-A103 HydrophobicContact CD2-CB 4.03Å; Y45-A103 HydrophobicContact CE2-CB 3.65Å
46T93Very high93.8Very high61 Ų6176.8 Ų76.837%0.37434%0.339SS..Hα-helixtrans-59.7-45.3176.8-57.60000111.5R42 E43 N49 Q50R42-T46 PolarHBondContact O-N 2.95Å; E43-T46 PolarHBondContact O-N 3.03Å; T46-N49 PolarHBondContact O-N 3.03Å; T46-Q50 WeakPolarHBondContact O-CG 3.3Å; T46-Q50 PolarHBondContact O-N 3.16Å
47R95.1Very high93.9Very high112 Ų11271.1 Ų71.142%0.42332%0.32SS..Hα-helixtrans-61.7-46.1176.4-70.6177.9-173.4121.88.2111.5E43 D44 Y45 N49 Q50 L51E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.5Å; E43-R47 IonicContact OE2-CZ 3.7Å; E43-R47 IonicContact OE2-NH1 3.14Å; E43-R47 PolarHBondContact OE2-NH1 3.34Å; E43-R47 IonicContact OE2-NH2 3.94Å; E43-R47 PolarHBondContact OE2-NH2 3.49Å; D44-R47 PolarHBondContact O-N 2.92Å; D44-R47 IonicContact OD1-NH1 2.68Å; D44-R47 PolarHBondContact OD1-NH1 3.05Å; Y45-R47 PolarHBondContact O-N 2.86Å; R47-N49 VanDerWaalsContact C-N 3.3Å; R47-N49 PolarHBondContact O-N 2.96Å; R47-Q50 PolarHBondContact O-N 2.99Å; R47-L51 WeakPolarHBondContact O-CG 3.22Å; R47-L51 PolarHBondContact O-N 2.72Å
48Y95.6Very high94Very high18 Ų1874.2 Ų74.27%0.07134%0.338CS..Hα-helixtrans-63.3-36.6176.4-62.1-35.1000112.4D44 Y45 L51 S52 F106 L149D44-Y48 HydrophobicContact CB-CE2 4.03Å; D44-Y48 WeakPolarHBondContact O-CB 3.41Å; D44-Y48 WeakPolarHBondContact O-CD2 3.31Å; D44-Y48 PolarHBondContact O-N 3.06Å; Y45-Y48 PolarHBondContact O-N 3.41Å; Y48-L51 PolarHBondContact O-N 3.18Å; Y48-S52 WeakPolarHBondContact O-CB 3.3Å; Y48-S52 PolarHBondContact O-N 2.73Å; Y48-F106 HydrophobicContact CD1-CB 3.78Å; Y48-F106 HydrophobicContact CD1-CD1 4.31Å; Y48-F106 HydrophobicContact CD1-CG 4.08Å; Y48-F106 HydrophobicContact CD2-CB 4.25Å; Y48-F106 HydrophobicContact CE1-CB 4.27Å; Y48-F106 HydrophobicContact CG-CB 3.78Å; Y48-F106 HydrophobicContact CG-CG 4.31Å; Y48-L149 HydrophobicContact CE1-CD1 4.25Å
49N93.8Very high94.1Very high68 Ų6868.1 Ų68.136%0.36432%0.315SS..Hα-helixtrans-66.8-44.6176.9-16623.8000111.2Y45 T46 R47 L51 S52 R53 A103Y45-N49 WeakPolarHBondContact O-CB 3.37Å; Y45-N49 PolarHBondContact O-N 3.08Å; T46-N49 PolarHBondContact O-N 3.03Å; R47-N49 VanDerWaalsContact C-N 3.3Å; R47-N49 PolarHBondContact O-N 2.96Å; N49-L51 PolarHBondContact O-N 3.17Å; N49-S52 PolarHBondContact O-N 3.33Å; N49-S52 PolarHBondContact O-OG 3.21Å; N49-R53 PolarHBondContact O-N 2.94Å; N49-A103 HydrophobicContact CB-CB 4.28Å
50Q95.7Very high94.2Very high126 Ų12673.2 Ų73.259%0.58933%0.333SS*.Hα-helixtrans-58.7-46.7173.6-71.6172.8-2.500111.8T46 R47 S52 R53 A54T46-Q50 WeakPolarHBondContact O-CG 3.3Å; T46-Q50 PolarHBondContact O-N 3.16Å; R47-Q50 PolarHBondContact O-N 2.99Å; Q50-S52 PolarHBondContact O-N 2.8Å; Q50-R53 WeakPolarHBondContact O-CB 3.5Å; Q50-R53 PolarHBondContact O-N 3.37Å; Q50-R53 VanDerWaalsContact O-N 3.17Å; Q50-A54 PolarHBondContact O-N 3.01Å
51L96.1Very high94.4Very high92 Ų9275.8 Ų75.848%0.48234%0.338SS..Hα-helixtrans-60.8-44.6175.9-73.4173.9000112.1R47 Y48 N49 R53 A54 V55 F106R47-L51 WeakPolarHBondContact O-CG 3.22Å; R47-L51 PolarHBondContact O-N 2.72Å; Y48-L51 PolarHBondContact O-N 3.18Å; N49-L51 PolarHBondContact O-N 3.17Å; L51-R53 PolarHBondContact O-N 3.44Å; L51-A54 PolarHBondContact O-N 3.22Å; L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 2.94Å; L51-F106 HydrophobicContact CB-CE2 4.37Å; L51-F106 HydrophobicContact CB-CZ 4.03Å
52S95.6Very high94.5Very high0 Ų070.6 Ų70.60%032%0.319CS..Hα-helixtrans-61.5-34.9176.580.60000112.3Y48 N49 Q50 R56Y48-S52 WeakPolarHBondContact O-CB 3.3Å; Y48-S52 PolarHBondContact O-N 2.73Å; N49-S52 PolarHBondContact O-N 3.33Å; N49-S52 PolarHBondContact O-OG 3.21Å; Q50-S52 PolarHBondContact O-N 2.8Å; S52-R56 WeakPolarHBondContact O-CG 3.44Å; S52-R56 PolarHBondContact O-N 3.01Å; S52-R56 VanDerWaalsContact O-N 3.16Å; S52-R56 PolarHBondContact O-NE 3.49Å; S52-R56 PolarHBondContact OG-NH2 3.26Å; S52-R56 VanDerWaalsContact OG-NH2 3.08Å
53R95.6Very high94.5Very high162 Ų16268.8 Ų68.861%0.61131%0.312SS*.Hα-helixtrans-69.4-43.6175.9-178.7178.9174.91691111N49 Q50 L51 V55 R56 E57N49-R53 PolarHBondContact O-N 2.94Å; Q50-R53 WeakPolarHBondContact O-CB 3.5Å; Q50-R53 PolarHBondContact O-N 3.37Å; Q50-R53 VanDerWaalsContact O-N 3.17Å; L51-R53 PolarHBondContact O-N 3.44Å; R53-V55 VanDerWaalsContact C-N 3.32Å; R53-V55 PolarHBondContact O-N 2.67Å; R53-R56 PolarHBondContact O-N 3.16Å; R53-E57 WeakPolarHBondContact O-CB 3.34Å; R53-E57 PolarHBondContact O-N 3.33Å
54A96.6Very high94.5Very high55 Ų5569.9 Ų69.946%0.45532%0.322SS..Hα-helixtrans-60.3-42176.900000111.8Q50 L51 E57 L58Q50-A54 PolarHBondContact O-N 3.01Å; L51-A54 PolarHBondContact O-N 3.22Å; A54-E57 PolarHBondContact O-N 3.42Å; A54-L58 WeakPolarHBondContact O-CB 3.37Å; A54-L58 PolarHBondContact O-N 3.29Å
55V95.6Very high94.5Very high22 Ų2272.2 Ų72.213%0.13333%0.334CS..Hα-helixtrans-60.3-48.2174.6171.20000111.4L51 R53 E57 L58 A59 L83 C98 V101L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 2.94Å; R53-V55 VanDerWaalsContact C-N 3.32Å; R53-V55 PolarHBondContact O-N 2.67Å; V55-E57 PolarHBondContact O-N 3.36Å; V55-L58 PolarHBondContact O-N 3.34Å; V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3.34Å; V55-L83 HydrophobicContact CG1-CD1 3.75Å; V55-L83 HydrophobicContact CG1-CD2 3.96Å; V55-L83 HydrophobicContact CG1-CG 4.48Å; V55-L83 HydrophobicContact CG2-CD2 4.1Å; V55-C98 HydrophobicContact CG1-CB 4.36Å; V55-V101 HydrophobicContact CG1-CB 4.44Å; V55-V101 HydrophobicContact CG1-CG1 4.48Å; V55-V101 HydrophobicContact CG1-CG2 4.47Å
56R95.1Very high94.5Very high73 Ų7375.6 Ų75.628%0.27536%0.358SS..Hα-helixtrans-64.5-38.4178.8-73.4178.4-74.1159.8-7.8112.8S52 R53 R60 C98S52-R56 WeakPolarHBondContact O-CG 3.44Å; S52-R56 PolarHBondContact O-N 3.01Å; S52-R56 VanDerWaalsContact O-N 3.16Å; S52-R56 PolarHBondContact O-NE 3.49Å; S52-R56 PolarHBondContact OG-NH2 3.26Å; S52-R56 VanDerWaalsContact OG-NH2 3.08Å; R53-R56 PolarHBondContact O-N 3.16Å; R56-R60 WeakPolarHBondContact O-CG 3.42Å; R56-R60 PolarHBondContact O-N 3.21Å; R56-R60 PolarHBondContact O-NE 3.4Å; R56-C98 VanDerWaalsContact CG-O 3.29Å; R56-C98 WeakPolarHBondContact CG-O 3.43Å
57E95.7Very high94.2Very high65 Ų6579.9 Ų79.930%0.30437%0.374SS..Hα-helixtrans-67.3-44.4176.4-173.3171.617200111.9R53 A54 V55 A59 R60 R61R53-E57 WeakPolarHBondContact O-CB 3.34Å; R53-E57 PolarHBondContact O-N 3.33Å; A54-E57 PolarHBondContact O-N 3.42Å; V55-E57 PolarHBondContact O-N 3.36Å; E57-A59 VanDerWaalsContact C-N 3.34Å; E57-A59 PolarHBondContact O-N 3.26Å; E57-R60 PolarHBondContact O-N 3.37Å; E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.88Å; E57-R61 IonicContact OE1-CZ 3.64Å; E57-R61 IonicContact OE1-NE 3.47Å; E57-R61 IonicContact OE1-NH2 3.85Å; E57-R61 PolarHBondContact OE1-NH2 2.93Å
58L95Very high93.9Very high85 Ų8586.1 Ų86.145%0.44540%0.397SS..Hα-helixtrans-60.6-44.8174.4-177.361.7000111.3A54 V55 R60 R61 L62 L79A54-L58 WeakPolarHBondContact O-CB 3.37Å; A54-L58 PolarHBondContact O-N 3.29Å; V55-L58 PolarHBondContact O-N 3.34Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 3.15Å; L58-R61 PolarHBondContact O-N 3.04Å; L58-L62 HydrophobicContact CG-CD1 4.28Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.15Å; L58-L79 HydrophobicContact CD2-CD1 3.97Å; L58-L79 HydrophobicContact CD2-CD2 4.21Å; L58-L79 HydrophobicContact CG-CD2 4.27Å
59A94.6Very high93.7Very high0 Ų088 Ų880%041%0.409CS..Hα-helixtrans-63-36.117700000113V55 E57 R63 L79 C98V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3.34Å; E57-A59 VanDerWaalsContact C-N 3.34Å; E57-A59 PolarHBondContact O-N 3.26Å; A59-R63 WeakPolarHBondContact O-CG 3.24Å; A59-R63 PolarHBondContact O-N 3.2Å; A59-R63 VanDerWaalsContact O-N 3.14Å; A59-L79 HydrophobicContact CB-CD2 4.29Å; A59-C98 HydrophobicContact CB-CB 3.48Å; A59-C98 VanDerWaalsContact CB-CB 3.48Å
60R94.4Very high93.7Very high123 Ų12391.4 Ų91.446%0.46442%0.422SS..Hα-helixtrans-65.1-50.7172.5-77.9-179-66.4159.14.3111.7R56 E57 L58 L62 R63 D64R56-R60 WeakPolarHBondContact O-CG 3.42Å; R56-R60 PolarHBondContact O-N 3.21Å; R56-R60 PolarHBondContact O-NE 3.4Å; E57-R60 PolarHBondContact O-N 3.37Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 3.15Å; R60-L62 PolarHBondContact O-N 3.34Å; R60-R63 WeakPolarHBondContact O-CA 3.26Å; R60-R63 WeakPolarHBondContact O-CB 3.37Å; R60-R63 PolarHBondContact O-N 3.1Å; R60-D64 PolarHBondContact O-N 3.43Å
61R93.8Very high93.6Very high154 Ų15491.6 Ų91.658%0.58142%0.422SS*.Hα-helixtrans-57.4-36.9177.4-67.9177.8-173.8-165.72.4112.5E57 L58 D64E57-R61 WeakPolarHBondContact O-CG 3.37Å; E57-R61 PolarHBondContact O-N 2.88Å; E57-R61 IonicContact OE1-CZ 3.64Å; E57-R61 IonicContact OE1-NE 3.47Å; E57-R61 IonicContact OE1-NH2 3.85Å; E57-R61 PolarHBondContact OE1-NH2 2.93Å; L58-R61 PolarHBondContact O-N 3.04Å; R61-D64 PolarHBondContact O-N 3.47Å
62L93.4Very high93.5Very high7 Ų789.4 Ų89.44%0.03741%0.407CS..Hα-helixtrans-70.2-30.3175.3-71.3174.3000113.3L58 R60 L65 F71 R72 A75 L79 L95L58-L62 HydrophobicContact CG-CD1 4.28Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.15Å; R60-L62 PolarHBondContact O-N 3.34Å; L62-L65 HydrophobicContact CD2-CD1 4.2Å; L62-F71 HydrophobicContact CD2-CE1 4.47Å; L62-R72 WeakPolarHBondContact O-CD 3.29Å; L62-R72 WeakPolarHBondContact O-CG 3.37Å; L62-R72 PolarHBondContact O-NE 3.34Å; L62-A75 HydrophobicContact CD1-CB 4.42Å; L62-A75 HydrophobicContact CD2-CB 3.64Å; L62-L79 HydrophobicContact CD1-CD2 3.9Å; L62-L95 HydrophobicContact CB-CD1 4.49Å
63R91.5Very high93.4Very high84 Ų8493.5 Ų93.532%0.31743%0.432SS..Hα-helixtrans-71.8-33.1173.9-78.8-176.1-71.7-173.7-9.3112.3A59 R60 L65 L95 D99A59-R63 WeakPolarHBondContact O-CG 3.24Å; A59-R63 PolarHBondContact O-N 3.2Å; A59-R63 VanDerWaalsContact O-N 3.14Å; R60-R63 WeakPolarHBondContact O-CA 3.26Å; R60-R63 WeakPolarHBondContact O-CB 3.37Å; R60-R63 PolarHBondContact O-N 3.1Å; R63-L65 PolarHBondContact O-N 2.96Å; R63-L95 HydrophobicContact CG-CD1 4.31Å; R63-D99 IonicContact CZ-OD1 3.2Å; R63-D99 IonicContact CZ-OD2 3.36Å; R63-D99 IonicContact NH1-OD2 2.69Å; R63-D99 PolarHBondContact NH1-OD2 2.77Å; R63-D99 IonicContact NH2-OD1 2.81Å; R63-D99 PolarHBondContact NH2-OD1 3.05Å; R63-D99 IonicContact NH2-OD2 3.69Å; R63-D99 PolarHBondContact NH2-OD2 3.39Å
64D92.5Very high93.3Very high135 Ų13594.4 Ų94.472%0.72244%0.435SS*.Hα-helixtrans-70-21.1179.3-59.7-28.2000112.8R60 R61R60-D64 PolarHBondContact O-N 3.43Å; R61-D64 PolarHBondContact O-N 3.47Å
65L93.1Very high93.2Very high56 Ų5693 Ų9329%0.29342%0.424SS..SBendtrans-71.6151.4176-69.8173.4000112L62 R63 F71 R72L62-L65 HydrophobicContact CD2-CD1 4.2Å; R63-L65 PolarHBondContact O-N 2.96Å; L65-F71 HydrophobicContact CD1-CD1 3.87Å; L65-F71 HydrophobicContact CD1-CE1 4.23Å; L65-R72 HydrophobicContact CB-CB 4.1Å; L65-R72 HydrophobicContact CB-CG 4.38Å; L65-R72 HydrophobicContact CD1-CB 4.27Å; L65-R72 WeakPolarHBondContact O-CD 3.45Å; L65-R72 PolarHBondContact O-NH1 2.93Å
66P92.3Very high93.1Very high89 Ų8992.9 Ų92.958%0.57842%0.424SS*.  trans-58.6139.8175.9-22.733.2000112.8R68 D69 R72P66-R68 PolarHBondContact O-N 3.24Å; P66-R68 VanDerWaalsContact O-N 3.14Å; P66-D69 WeakPolarHBondContact O-CB 3.48Å; P66-D69 PolarHBondContact O-N 3.48Å; P66-R72 WeakPolarHBondContact O-CD 3.37Å
67E86.5Confident93.1Very high152 Ų15291.6 Ų91.671%0.7143%0.428SS*.THydrogen-bonded Turntrans-58.5-30-177.7-70.4-176.8171.900114.1D69E67-D69 VanDerWaalsContact C-N 3.35Å
68R88.3Confident93Very high243 Ų24391.3 Ų91.392%0.91744%0.437SS*.THydrogen-bonded Turntrans-87-3.5-178.3-63.2-176.9-179.8166.20.2113.9P66 Q70P66-R68 PolarHBondContact O-N 3.24Å; P66-R68 VanDerWaalsContact O-N 3.14Å; R68-Q70 PolarHBondContact O-N 3.38Å
69D92Very high93.1Very high58 Ų5888.1 Ų88.131%0.3142%0.421SS..  trans-69.2124.1178-178.114.5000110.3P66 E67 F71 R72 V73P66-D69 WeakPolarHBondContact O-CB 3.48Å; P66-D69 PolarHBondContact O-N 3.48Å; E67-D69 VanDerWaalsContact C-N 3.35Å; D69-F71 PolarHBondContact O-N 3.02Å; D69-F71 PolarHBondContact OD1-N 3.33Å; D69-F71 VanDerWaalsContact OD1-N 3.14Å; D69-R72 HydrophobicContact CB-CB 4.18Å; D69-R72 PolarHBondContact O-N 2.92Å; D69-R72 VanDerWaalsContact O-N 3.17Å; D69-V73 PolarHBondContact O-N 3.14Å
70Q93.8Very high93.1Very high138 Ų13888.8 Ų88.865%0.64542%0.424SS*.Hα-helixtrans-60.7-32.2179-64.2-174.712.200111.5R68 R74R68-Q70 PolarHBondContact O-N 3.38Å; Q70-R74 WeakPolarHBondContact O-CG 3.37Å; Q70-R74 PolarHBondContact O-N 3.29Å; Q70-R74 VanDerWaalsContact O-N 3.1Å
71F94.4Very high93.1Very high131 Ų13186.2 Ų86.258%0.57542%0.419SS*.Hα-helixtrans-66.1-45.2177.2179.6-97.7000111.2L62 L65 D69 V73 R74 A75L62-F71 HydrophobicContact CD2-CE1 4.47Å; L65-F71 HydrophobicContact CD1-CD1 3.87Å; L65-F71 HydrophobicContact CD1-CE1 4.23Å; D69-F71 PolarHBondContact O-N 3.02Å; D69-F71 PolarHBondContact OD1-N 3.33Å; D69-F71 VanDerWaalsContact OD1-N 3.14Å; F71-V73 VanDerWaalsContact C-N 3.35Å; F71-V73 PolarHBondContact O-N 3.15Å; F71-R74 PolarHBondContact O-N 3.49Å; F71-A75 HydrophobicContact CE1-CB 4.24Å; F71-A75 HydrophobicContact CZ-CB 4.28Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 3.08Å
72R93.7Very high93.2Very high45 Ų4585.7 Ų85.717%0.1742%0.422CS..Hα-helixtrans-55.9-48175.5176.7179.4166.1174.5-7.6111.5L62 L65 P66 D69 S76L62-R72 WeakPolarHBondContact O-CD 3.29Å; L62-R72 WeakPolarHBondContact O-CG 3.37Å; L62-R72 PolarHBondContact O-NE 3.34Å; L65-R72 HydrophobicContact CB-CB 4.1Å; L65-R72 HydrophobicContact CB-CG 4.38Å; L65-R72 HydrophobicContact CD1-CB 4.27Å; L65-R72 WeakPolarHBondContact O-CD 3.45Å; L65-R72 PolarHBondContact O-NH1 2.93Å; P66-R72 WeakPolarHBondContact O-CD 3.37Å; D69-R72 HydrophobicContact CB-CB 4.18Å; D69-R72 PolarHBondContact O-N 2.92Å; D69-R72 VanDerWaalsContact O-N 3.17Å; R72-S76 WeakPolarHBondContact O-CB 3.39Å; R72-S76 PolarHBondContact O-N 3.2Å; R72-S76 PolarHBondContact O-OG 3.27Å
73V92.4Very high93.3Very high86 Ų8685.6 Ų85.652%0.52142%0.421SS..Hα-helixtrans-62.1-48.1-178.8178.30000111.1D69 F71 S76 A77D69-V73 PolarHBondContact O-N 3.14Å; F71-V73 VanDerWaalsContact C-N 3.35Å; F71-V73 PolarHBondContact O-N 3.15Å; V73-S76 PolarHBondContact O-OG 3.4Å; V73-A77 WeakPolarHBondContact O-CB 3.5Å; V73-A77 PolarHBondContact O-N 2.72Å; V73-A77 VanDerWaalsContact O-N 3.14Å
74R94.6Very high93.5Very high181 Ų18184.8 Ų84.868%0.68342%0.419SS*.Hα-helixtrans-65.5-46.9179.8-69.4178.6-176.8-175.73.5112.4Q70 F71 A78Q70-R74 WeakPolarHBondContact O-CG 3.37Å; Q70-R74 PolarHBondContact O-N 3.29Å; Q70-R74 VanDerWaalsContact O-N 3.1Å; F71-R74 PolarHBondContact O-N 3.49Å; R74-A78 WeakPolarHBondContact O-CB 3.36Å; R74-A78 PolarHBondContact O-N 2.86Å
75A94.8Very high93.7Very high26 Ų2680.8 Ų80.822%0.21540%0.404CS..Hα-helixtrans-69.4-36.9-177.200000112.4L62 F71 L79L62-A75 HydrophobicContact CD1-CB 4.42Å; L62-A75 HydrophobicContact CD2-CB 3.64Å; F71-A75 HydrophobicContact CE1-CB 4.24Å; F71-A75 HydrophobicContact CZ-CB 4.28Å; F71-A75 WeakPolarHBondContact O-CB 3.45Å; F71-A75 PolarHBondContact O-N 3.08Å; A75-L79 WeakPolarHBondContact O-CB 3.48Å; A75-L79 PolarHBondContact O-N 2.88Å
76S93.7Very high93.8Very high20 Ų2081.2 Ų81.214%0.1441%0.406CS..Hα-helixtrans-65.8-44.9175.158.50000112.2R72 V73 L79 L80R72-S76 WeakPolarHBondContact O-CB 3.39Å; R72-S76 PolarHBondContact O-N 3.2Å; R72-S76 PolarHBondContact O-OG 3.27Å; V73-S76 PolarHBondContact O-OG 3.4Å; S76-L79 PolarHBondContact O-N 3.48Å; S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 VanDerWaalsContact O-CG 3.32Å; S76-L80 WeakPolarHBondContact O-CG 3.5Å; S76-L80 PolarHBondContact O-N 3.48Å
77A93.9Very high93.9Very high45 Ų4577.7 Ų77.737%0.37239%0.386SS..Hα-helixtrans-59.1-4917400000111.3V73 L79 L80 D81V73-A77 WeakPolarHBondContact O-CB 3.5Å; V73-A77 PolarHBondContact O-N 2.72Å; V73-A77 VanDerWaalsContact O-N 3.14Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 2.87Å; A77-L80 PolarHBondContact O-N 3.33Å; A77-D81 WeakPolarHBondContact O-CB 3.49Å; A77-D81 PolarHBondContact O-N 2.92Å
78A95.4Very high94.2Very high59 Ų5971.2 Ų71.249%0.48836%0.356SS..Hα-helixtrans-61.2-39.7178.900000113R74 K82R74-A78 WeakPolarHBondContact O-CB 3.36Å; R74-A78 PolarHBondContact O-N 2.86Å; A78-K82 WeakPolarHBondContact O-CB 3.34Å; A78-K82 PolarHBondContact O-N 3.3Å
79L95.2Very high94.5Very high19 Ų1959.8 Ų59.810%0.09931%0.313CS..Hα-helixtrans-64.3-48.2175.7179.660.8000111.1L58 A59 L62 A75 S76 A77 K82 L83 L95L58-L79 HydrophobicContact CD2-CD1 3.97Å; L58-L79 HydrophobicContact CD2-CD2 4.21Å; L58-L79 HydrophobicContact CG-CD2 4.27Å; A59-L79 HydrophobicContact CB-CD2 4.29Å; L62-L79 HydrophobicContact CD1-CD2 3.9Å; A75-L79 WeakPolarHBondContact O-CB 3.48Å; A75-L79 PolarHBondContact O-N 2.88Å; S76-L79 PolarHBondContact O-N 3.48Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 2.87Å; L79-K82 PolarHBondContact O-N 2.95Å; L79-L83 HydrophobicContact CD1-CD1 4.03Å; L79-L83 HydrophobicContact CD1-CG 4.15Å; L79-L83 HydrophobicContact CG-CD1 4.02Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.25Å; L79-L83 PolarHBondContact O-N 2.87Å; L79-L95 HydrophobicContact CD2-CD2 4.4Å
80L95.1Very high94.5Very high14 Ų1461.2 Ų61.27%0.07333%0.326CS..Hα-helixtrans-65.1-41.6-179.2-71.5169.7000111.9S76 A77 K82 L83 Y84 R92 S94 L95S76-L80 WeakPolarHBondContact O-CB 3.38Å; S76-L80 VanDerWaalsContact O-CG 3.32Å; S76-L80 WeakPolarHBondContact O-CG 3.5Å; S76-L80 PolarHBondContact O-N 3.48Å; A77-L80 PolarHBondContact O-N 3.33Å; L80-K82 PolarHBondContact O-N 3.35Å; L80-L83 PolarHBondContact O-N 3.4Å; L80-Y84 VanDerWaalsContact O-CB 3.22Å; L80-Y84 WeakPolarHBondContact O-CB 3.39Å; L80-Y84 PolarHBondContact O-N 2.91Å; L80-R92 WeakPolarHBondContact CD1-O 3.25Å; L80-S94 WeakPolarHBondContact CD2-O 3.48Å; L80-L95 HydrophobicContact CD1-CD2 4.16Å; L80-L95 HydrophobicContact CD1-CG 4.39Å; L80-L95 HydrophobicContact CD2-CD2 4.38Å; L80-L95 HydrophobicContact CG-CD2 4.12Å
81D95.4Very high94.5Very high68 Ų6858.3 Ų58.336%0.36432%0.317SS..Hα-helixtrans-61-44.9174.8-80.5-33.8000111.4A77 Y84 A85 R92A77-D81 WeakPolarHBondContact O-CB 3.49Å; A77-D81 PolarHBondContact O-N 2.92Å; D81-Y84 PolarHBondContact O-N 3.23Å; D81-A85 VanDerWaalsContact O-CB 3.3Å; D81-A85 WeakPolarHBondContact O-CB 3.39Å; D81-A85 PolarHBondContact O-N 3.03Å; D81-R92 VanDerWaalsContact OD1-CD 3.27Å; D81-R92 WeakPolarHBondContact OD1-CD 3.4Å; D81-R92 IonicContact OD1-CZ 2.79Å; D81-R92 IonicContact OD1-NE 2.81Å; D81-R92 IonicContact OD1-NH1 3.84Å; D81-R92 PolarHBondContact OD1-NH1 2.96Å
82K95.4Very high94.3Very high144 Ų14458.6 Ų58.663%0.62632%0.315SS*.Hα-helixtrans-63.2-46.6177.5-172.8172.5-175.5173.50112A78 L79 L80 Y84 A85 L86A78-K82 WeakPolarHBondContact O-CB 3.34Å; A78-K82 PolarHBondContact O-N 3.3Å; L79-K82 PolarHBondContact O-N 2.95Å; L80-K82 PolarHBondContact O-N 3.35Å; K82-Y84 VanDerWaalsContact C-N 3.33Å; K82-Y84 PolarHBondContact O-N 2.95Å; K82-A85 PolarHBondContact O-N 3.3Å; K82-L86 HydrophobicContact CG-CD1 4.33Å; K82-L86 WeakPolarHBondContact O-CB 3.38Å; K82-L86 VanDerWaalsContact O-CG 3.3Å; K82-L86 WeakPolarHBondContact O-CG 3.19Å; K82-L86 PolarHBondContact O-N 3.38Å
83L95.8Very high93.8Very high5 Ų559.7 Ų59.73%0.02634%0.34CS..Hα-helixtrans-66.9-35.9179.4-67.8176.2000112.3V55 L79 L80 G87 L88 V89 C98V55-L83 HydrophobicContact CG1-CD1 3.75Å; V55-L83 HydrophobicContact CG1-CD2 3.96Å; V55-L83 HydrophobicContact CG1-CG 4.48Å; V55-L83 HydrophobicContact CG2-CD2 4.1Å; L79-L83 HydrophobicContact CD1-CD1 4.03Å; L79-L83 HydrophobicContact CD1-CG 4.15Å; L79-L83 HydrophobicContact CG-CD1 4.02Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.25Å; L79-L83 PolarHBondContact O-N 2.87Å; L80-L83 PolarHBondContact O-N 3.4Å; L83-G87 PolarHBondContact O-N 3.16Å; L83-L88 HydrophobicContact CD2-CB 4.46Å; L83-L88 HydrophobicContact CD2-CD1 3.74Å; L83-L88 PolarHBondContact O-N 3.22Å; L83-V89 HydrophobicContact CB-CB 4.36Å; L83-V89 HydrophobicContact CB-CG2 3.96Å; L83-V89 HydrophobicContact CD1-CG2 4.19Å; L83-C98 WeakPolarHBondContact CD1-SG 3.42Å
84Y95.7Very high93.7Very high67 Ų6757.5 Ų57.526%0.26333%0.328SS..Hα-helixtrans-66.1-49.1174-179.7-94.2000111L80 D81 K82 L86 G87 P90 R92 R152L80-Y84 VanDerWaalsContact O-CB 3.22Å; L80-Y84 WeakPolarHBondContact O-CB 3.39Å; L80-Y84 PolarHBondContact O-N 2.91Å; D81-Y84 PolarHBondContact O-N 3.23Å; K82-Y84 VanDerWaalsContact C-N 3.33Å; K82-Y84 PolarHBondContact O-N 2.95Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 3.03Å; Y84-G87 WeakPolarHBondContact O-CA 3.37Å; Y84-G87 PolarHBondContact O-N 3.2Å; Y84-P90 VanDerWaalsContact CE2-O 3.27Å; Y84-P90 WeakPolarHBondContact CE2-O 3.4Å; Y84-R92 HydrophobicContact CD1-CG 4.15Å; Y84-R92 HydrophobicContact CD2-CG 3.87Å; Y84-R92 HydrophobicContact CG-CG 3.61Å; Y84-R152 WeakPolarHBondContact O-CD 3.35Å; Y84-R152 PolarHBondContact O-NE 3.22Å
85A95.7Very high93.5Very high50 Ų5049.9 Ų49.941%0.41330%0.301SS..Hα-helixtrans-59-39.9178.800000112.4D81 K82 G87 R152D81-A85 VanDerWaalsContact O-CB 3.3Å; D81-A85 WeakPolarHBondContact O-CB 3.39Å; D81-A85 PolarHBondContact O-N 3.03Å; K82-A85 PolarHBondContact O-N 3.3Å; A85-G87 PolarHBondContact O-N 3.42Å; A85-R152 PolarHBondContact O-N 3.43Å
86L95.2Very high93.3Very high66 Ų6654.7 Ų54.735%0.34632%0.319SS..Hα-helixtrans-69.4-18.9173.5-68.9176.2000113.5K82 Y84 L88 R109 T151K82-L86 HydrophobicContact CG-CD1 4.33Å; K82-L86 WeakPolarHBondContact O-CB 3.38Å; K82-L86 VanDerWaalsContact O-CG 3.3Å; K82-L86 WeakPolarHBondContact O-CG 3.19Å; K82-L86 PolarHBondContact O-N 3.38Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 3.03Å; L86-L88 HydrophobicContact CB-CD1 4.32Å; L86-L88 HydrophobicContact CB-CG 4.12Å; L86-L88 HydrophobicContact CD1-CD1 4.25Å; L86-R109 PolarHBondContact O-NE 3.32Å; L86-T151 HydrophobicContact CD2-CG2 4.04Å
87G94.1Very high93.2Very high14 Ų1455.7 Ų55.714%0.14432%0.323CS..THydrogen-bonded Turntrans84.316.1-178.800000115L83 Y84 A85 R109L83-G87 PolarHBondContact O-N 3.16Å; Y84-G87 WeakPolarHBondContact O-CA 3.37Å; Y84-G87 PolarHBondContact O-N 3.2Å; A85-G87 PolarHBondContact O-N 3.42Å; G87-R109 WeakPolarHBondContact O-CD 3.24Å
88L94.4Very high93.1Very high16 Ų1653.5 Ų53.58%0.08431%0.305CS..SBendtrans-79.4-28.9-179.2-61.7176.1000112.8L83 L86 F106 R109L83-L88 HydrophobicContact CD2-CB 4.46Å; L83-L88 HydrophobicContact CD2-CD1 3.74Å; L83-L88 PolarHBondContact O-N 3.22Å; L86-L88 HydrophobicContact CB-CD1 4.32Å; L86-L88 HydrophobicContact CB-CG 4.12Å; L86-L88 HydrophobicContact CD1-CD1 4.25Å; L88-F106 HydrophobicContact CD1-CD1 4.2Å; L88-F106 HydrophobicContact CD1-CE1 3.5Å; L88-F106 HydrophobicContact CD1-CE2 4.16Å; L88-F106 HydrophobicContact CD1-CZ 3.48Å; L88-F106 VanDerWaalsContact CD1-CZ 3.48Å; L88-F106 HydrophobicContact CD2-CD1 3.8Å; L88-F106 HydrophobicContact CD2-CD2 4.24Å; L88-F106 HydrophobicContact CD2-CE1 3.98Å; L88-F106 HydrophobicContact CD2-CE2 4.39Å; L88-F106 HydrophobicContact CD2-CG 3.94Å; L88-F106 HydrophobicContact CD2-CZ 4.28Å; L88-F106 HydrophobicContact CG-CE1 4.38Å; L88-R109 HydrophobicContact CD2-CG 4.27Å
89V94.1Very high92.9Very high3 Ų353.5 Ų53.52%0.01830%0.297CS..SBendtrans-122.2139.5-178.3176.10000109.4L83 T91 L97 V101 R152L83-V89 HydrophobicContact CB-CB 4.36Å; L83-V89 HydrophobicContact CB-CG2 3.96Å; L83-V89 HydrophobicContact CD1-CG2 4.19Å; V89-T91 WeakPolarHBondContact CG1-O 3.33Å; V89-L97 HydrophobicContact CG1-CB 3.55Å; V89-L97 HydrophobicContact CG1-CD1 3.55Å; V89-L97 HydrophobicContact CG1-CG 4.15Å; V89-L97 HydrophobicContact CG2-CB 4.47Å; V89-V101 HydrophobicContact CG2-CG2 3.74Å; V89-R152 PolarHBondContact O-NH2 2.98Å
90P92.3Very high92.8Very high89 Ų8959.9 Ų59.958%0.57832%0.324SS*.SBendtrans-70.3-35.1-178.426.4-35.6000114.5Y84Y84-P90 VanDerWaalsContact CE2-O 3.27Å; Y84-P90 WeakPolarHBondContact CE2-O 3.4Å
91T92.9Very high92.8Very high76 Ų7659.3 Ų59.347%0.46632%0.321SS..  trans-136.3160.8-175.162.20000111.6V89 G93 L97V89-T91 WeakPolarHBondContact CG1-O 3.33Å; T91-G93 VanDerWaalsContact C-N 3.33Å; T91-L97 WeakPolarHBondContact OG1-CD1 3.46Å
92R90.4Very high92.7Very high137 Ų13758.9 Ų58.952%0.51732%0.321SS..SBendtrans-92.311.8-179.8-58.6172.8-173-16313.1113.4L80 D81 Y84L80-R92 WeakPolarHBondContact CD1-O 3.25Å; D81-R92 VanDerWaalsContact OD1-CD 3.27Å; D81-R92 WeakPolarHBondContact OD1-CD 3.4Å; D81-R92 IonicContact OD1-CZ 2.79Å; D81-R92 IonicContact OD1-NE 2.81Å; D81-R92 IonicContact OD1-NH1 3.84Å; D81-R92 PolarHBondContact OD1-NH1 2.96Å; Y84-R92 HydrophobicContact CD1-CG 4.15Å; Y84-R92 HydrophobicContact CD2-CG 3.87Å; Y84-R92 HydrophobicContact CG-CG 3.61Å
93G84.3Confident92.6Very high68 Ų6852.2 Ų52.270%0.70129%0.293SS*.SBendtrans-83.7-42.6-16300000115.3T91T91-G93 VanDerWaalsContact C-N 3.33Å
94S89Confident92.5Very high40 Ų4053 Ų5328%0.2830%0.298SS..  trans-130.1135.6-169.8178.80000112.3L80 E96 L97L80-S94 WeakPolarHBondContact CD2-O 3.48Å; S94-E96 PolarHBondContact O-N 3.23Å; S94-E96 VanDerWaalsContact OG-CB 3.31Å; S94-E96 WeakPolarHBondContact OG-CB 3.28Å; S94-E96 WeakPolarHBondContact OG-CG 3.47Å; S94-E96 PolarHBondContact OG-N 3.49Å; S94-E96 VanDerWaalsContact OG-N 3.11Å; S94-E96 PolarHBondContact OG-OE2 3.08Å; S94-L97 WeakPolarHBondContact O-CB 3.42Å; S94-L97 PolarHBondContact O-N 3.31Å
95L90.4Very high92.4Very high22 Ų2250 Ų5012%0.11529%0.288CS..G310 helixtrans-64.2-20.8170-76.1175.8000112.7L62 R63 L79 L80 L97 C98L62-L95 HydrophobicContact CB-CD1 4.49Å; R63-L95 HydrophobicContact CG-CD1 4.31Å; L79-L95 HydrophobicContact CD2-CD2 4.4Å; L80-L95 HydrophobicContact CD1-CD2 4.16Å; L80-L95 HydrophobicContact CD1-CG 4.39Å; L80-L95 HydrophobicContact CD2-CD2 4.38Å; L80-L95 HydrophobicContact CG-CD2 4.12Å; L95-L97 PolarHBondContact O-N 3.16Å; L95-C98 WeakPolarHBondContact O-CB 3.3Å; L95-C98 PolarHBondContact O-N 3.45Å; L95-C98 VanDerWaalsContact O-N 3.08Å
96E91.5Very high92.4Very high126 Ų12648.4 Ų48.459%0.58927%0.271SS*.G310 helixtrans-62.4-28.1175.3-60.9171.316000111.4S94 C98 D99 F100S94-E96 PolarHBondContact O-N 3.23Å; S94-E96 VanDerWaalsContact OG-CB 3.31Å; S94-E96 WeakPolarHBondContact OG-CB 3.28Å; S94-E96 WeakPolarHBondContact OG-CG 3.47Å; S94-E96 PolarHBondContact OG-N 3.49Å; S94-E96 VanDerWaalsContact OG-N 3.11Å; S94-E96 PolarHBondContact OG-OE2 3.08Å; E96-C98 PolarHBondContact O-N 2.72Å; E96-D99 WeakPolarHBondContact O-CB 3.5Å; E96-D99 PolarHBondContact O-N 3.1Å; E96-F100 WeakPolarHBondContact O-CD2 3.16Å
97L91.2Very high92.4Very high41 Ų4145.2 Ų45.222%0.21526%0.255CS..G310 helixtrans-62.4-25.6176.7-61.9174.1000112.6V89 T91 S94 L95 D99 F100V89-L97 HydrophobicContact CG1-CB 3.55Å; V89-L97 HydrophobicContact CG1-CD1 3.55Å; V89-L97 HydrophobicContact CG1-CG 4.15Å; V89-L97 HydrophobicContact CG2-CB 4.47Å; T91-L97 WeakPolarHBondContact OG1-CD1 3.46Å; S94-L97 WeakPolarHBondContact O-CB 3.42Å; S94-L97 PolarHBondContact O-N 3.31Å; L95-L97 PolarHBondContact O-N 3.16Å; L97-D99 PolarHBondContact O-N 2.94Å; L97-F100 PolarHBondContact O-N 3.32Å
98C91.7Very high92.5Very high0 Ų050.8 Ų50.80%027%0.271CS..G310 helixtrans-64.9-28.4175.6-61.60000112.2V55 R56 A59 L83 L95 E96 F100 V101V55-C98 HydrophobicContact CG1-CB 4.36Å; R56-C98 VanDerWaalsContact CG-O 3.29Å; R56-C98 WeakPolarHBondContact CG-O 3.43Å; A59-C98 HydrophobicContact CB-CB 3.48Å; A59-C98 VanDerWaalsContact CB-CB 3.48Å; L83-C98 WeakPolarHBondContact CD1-SG 3.42Å; L95-C98 WeakPolarHBondContact O-CB 3.3Å; L95-C98 PolarHBondContact O-N 3.45Å; L95-C98 VanDerWaalsContact O-N 3.08Å; E96-C98 PolarHBondContact O-N 2.72Å; C98-F100 VanDerWaalsContact C-N 3.25Å; C98-F100 PolarHBondContact O-N 3.4Å; C98-V101 WeakPolarHBondContact O-CB 3.36Å; C98-V101 PolarHBondContact O-N 3.1Å; C98-V101 VanDerWaalsContact O-N 3.16Å
99D92.3Very high92.5Very high58 Ų5851 Ų5131%0.3127%0.271SS..G310 helixtrans-68.2-27.5178.6-71-24.9000112R63 E96 L97 V101R63-D99 IonicContact CZ-OD1 3.2Å; R63-D99 IonicContact CZ-OD2 3.36Å; R63-D99 IonicContact NH1-OD2 2.69Å; R63-D99 PolarHBondContact NH1-OD2 2.77Å; R63-D99 IonicContact NH2-OD1 2.81Å; R63-D99 PolarHBondContact NH2-OD1 3.05Å; R63-D99 IonicContact NH2-OD2 3.69Å; R63-D99 PolarHBondContact NH2-OD2 3.39Å; E96-D99 WeakPolarHBondContact O-CB 3.5Å; E96-D99 PolarHBondContact O-N 3.1Å; L97-D99 PolarHBondContact O-N 2.94Å; D99-V101 VanDerWaalsContact C-N 3.3Å
100F92.5Very high92.6Very high154 Ų15451 Ų5168%0.67527%0.271SS*.G310 helixtrans-83.7-2.5176.1-58.4-75.4000113.6E96 L97 C98 T102E96-F100 WeakPolarHBondContact O-CD2 3.16Å; L97-F100 PolarHBondContact O-N 3.32Å; C98-F100 VanDerWaalsContact C-N 3.25Å; C98-F100 PolarHBondContact O-N 3.4Å; F100-T102 PolarHBondContact O-N 3.3Å
101V93.7Very high92.7Very high1 Ų146.8 Ų46.81%0.00624%0.243CC..  trans-72.5111.7175.8179.70000109.1V55 V89 C98 D99 F106V55-V101 HydrophobicContact CG1-CB 4.44Å; V55-V101 HydrophobicContact CG1-CG1 4.48Å; V55-V101 HydrophobicContact CG1-CG2 4.47Å; V89-V101 HydrophobicContact CG2-CG2 3.74Å; C98-V101 WeakPolarHBondContact O-CB 3.36Å; C98-V101 PolarHBondContact O-N 3.1Å; C98-V101 VanDerWaalsContact O-N 3.16Å; D99-V101 VanDerWaalsContact C-N 3.3Å; V101-F106 HydrophobicContact CG1-CE2 4.03Å
102T93.7Very high92.9Very high60 Ų6043.3 Ų43.337%0.36822%0.222SC..  trans-118.6169.8178.558.50000110.6F100 S104 S105F100-T102 PolarHBondContact O-N 3.3Å; T102-S104 PolarHBondContact O-N 3.23Å; T102-S104 VanDerWaalsContact O-N 3.15Å; T102-S105 WeakPolarHBondContact O-CB 3.05Å; T102-S105 PolarHBondContact O-N 3.5Å
103A93.6Very high93.2Very high4 Ų437.8 Ų37.83%0.03320%0.203CC..Hα-helixtrans-53.7-32.8171.400000112.4Y45 N49 S105 F106 C107Y45-A103 HydrophobicContact CD2-CB 4.03Å; Y45-A103 HydrophobicContact CE2-CB 3.65Å; N49-A103 HydrophobicContact CB-CB 4.28Å; A103-S105 VanDerWaalsContact C-N 3.27Å; A103-S105 PolarHBondContact O-N 2.9Å; A103-F106 PolarHBondContact O-N 3.25Å; A103-C107 PolarHBondContact O-N 2.99Å; A103-C107 VanDerWaalsContact O-N 3.08Å; A103-C107 PolarHBondContact O-SG 2.94Å
104S93.8Very high93.7Very high21 Ų2134.6 Ų34.615%0.14717%0.17CC..Hα-helixtrans-63.1-29.9175.4-71.10000113.2T102 F106 C107 R108T102-S104 PolarHBondContact O-N 3.23Å; T102-S104 VanDerWaalsContact O-N 3.15Å; S104-F106 VanDerWaalsContact C-N 3.35Å; S104-C107 PolarHBondContact O-N 3.18Å; S104-R108 WeakPolarHBondContact O-CG 3.35Å; S104-R108 PolarHBondContact O-N 3.17Å
105S94.5Very high94Very high5 Ų532.8 Ų32.84%0.03516%0.157CC..Hα-helixtrans-64.5-39.5175-640000111.8T102 A103 R108T102-S105 WeakPolarHBondContact O-CB 3.05Å; T102-S105 PolarHBondContact O-N 3.5Å; A103-S105 VanDerWaalsContact C-N 3.27Å; A103-S105 PolarHBondContact O-N 2.9Å; S105-R108 PolarHBondContact O-N 3.4Å; S105-R108 PolarHBondContact OG-NH2 3.18Å
106F95.7Very high94.3Very high15 Ų1535 Ų357%0.06617%0.169CC..Hα-helixtrans-67.3-42.6172.5-67.3-88.3000111.7Y48 L51 L88 V101 A103 S104 R108 R109 R110 L149Y48-F106 HydrophobicContact CD1-CB 3.78Å; Y48-F106 HydrophobicContact CD1-CD1 4.31Å; Y48-F106 HydrophobicContact CD1-CG 4.08Å; Y48-F106 HydrophobicContact CD2-CB 4.25Å; Y48-F106 HydrophobicContact CE1-CB 4.27Å; Y48-F106 HydrophobicContact CG-CB 3.78Å; Y48-F106 HydrophobicContact CG-CG 4.31Å; L51-F106 HydrophobicContact CB-CE2 4.37Å; L51-F106 HydrophobicContact CB-CZ 4.03Å; L88-F106 HydrophobicContact CD1-CD1 4.2Å; L88-F106 HydrophobicContact CD1-CE1 3.5Å; L88-F106 HydrophobicContact CD1-CE2 4.16Å; L88-F106 HydrophobicContact CD1-CZ 3.48Å; L88-F106 VanDerWaalsContact CD1-CZ 3.48Å; L88-F106 HydrophobicContact CD2-CD1 3.8Å; L88-F106 HydrophobicContact CD2-CD2 4.24Å; L88-F106 HydrophobicContact CD2-CE1 3.98Å; L88-F106 HydrophobicContact CD2-CE2 4.39Å; L88-F106 HydrophobicContact CD2-CG 3.94Å; L88-F106 HydrophobicContact CD2-CZ 4.28Å; L88-F106 HydrophobicContact CG-CE1 4.38Å; V101-F106 HydrophobicContact CG1-CE2 4.03Å; A103-F106 PolarHBondContact O-N 3.25Å; S104-F106 VanDerWaalsContact C-N 3.35Å; F106-R108 PolarHBondContact O-N 3.3Å; F106-R109 PolarHBondContact O-N 2.95Å; F106-R110 PolarHBondContact O-N 2.87Å; F106-L149 HydrophobicContact CD1-CD1 4.25Å; F106-L149 WeakPolarHBondContact O-CD2 3.39Å
107C95.3Very high94.4Very high0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-61.1-32.2179-59.50000112.8Y37 A103 S104 R109 R110 T113Y37-C107 HydrophobicContact CD1-CB 3.91Å; Y37-C107 HydrophobicContact CD2-CB 3.54Å; Y37-C107 HydrophobicContact CE1-CB 4.28Å; Y37-C107 HydrophobicContact CE2-CB 3.92Å; Y37-C107 HydrophobicContact CG-CB 3.52Å; A103-C107 PolarHBondContact O-N 2.99Å; A103-C107 VanDerWaalsContact O-N 3.08Å; A103-C107 PolarHBondContact O-SG 2.94Å; S104-C107 PolarHBondContact O-N 3.18Å; C107-R109 VanDerWaalsContact C-N 3.29Å; C107-R109 PolarHBondContact O-N 3.1Å; C107-R110 WeakPolarHBondContact O-CB 3.35Å; C107-R110 PolarHBondContact O-N 3.31Å; C107-T113 PolarHBondContact O-OG1 3.46Å
108R94.6Very high94.6Very high130 Ų13037 Ų3749%0.49118%0.177SC..Hα-helixtrans-69.7-22.5174.1-74.5-177.7-67.8-169.81114Y37 S104 S105 F106Y37-R108 HydrophobicContact CE1-CG 3.69Å; Y37-R108 WeakPolarHBondContact OH-CG 3.36Å; S104-R108 WeakPolarHBondContact O-CG 3.35Å; S104-R108 PolarHBondContact O-N 3.17Å; S105-R108 PolarHBondContact O-N 3.4Å; S105-R108 PolarHBondContact OG-NH2 3.18Å; F106-R108 PolarHBondContact O-N 3.3Å
109R95.6Very high94.7Very high20 Ų2047.9 Ų47.98%0.07522%0.218CC..THydrogen-bonded Turntrans-93.4-0.9176.7-62.1-55.2-61.7176.43.8113.5L86 G87 L88 F106 C107 L149 V150 T151 E155L86-R109 PolarHBondContact O-NE 3.32Å; G87-R109 WeakPolarHBondContact O-CD 3.24Å; L88-R109 HydrophobicContact CD2-CG 4.27Å; F106-R109 PolarHBondContact O-N 2.95Å; C107-R109 VanDerWaalsContact C-N 3.29Å; C107-R109 PolarHBondContact O-N 3.1Å; R109-L149 HydrophobicContact CB-CD2 4.24Å; R109-L149 WeakPolarHBondContact O-CA 3.43Å; R109-V150 VanDerWaalsContact CZ-O 3.24Å; R109-V150 PolarHBondContact NE-O 3.16Å; R109-V150 PolarHBondContact NH2-O 2.9Å; R109-V150 PolarHBondContact O-N 2.88Å; R109-T151 PolarHBondContact NH2-O 3.38Å; R109-E155 IonicContact CZ-OE2 3.77Å; R109-E155 VanDerWaalsContact CZ-OE2 3.31Å; R109-E155 IonicContact NH1-OE2 2.78Å; R109-E155 PolarHBondContact NH1-OE2 2.97Å; R109-E155 IonicContact NH2-OE2 3.24Å; R109-E155 PolarHBondContact NH2-OE2 3.4Å
110R95.4Very high94.8Very high4 Ų447 Ų472%0.01521%0.213CC..BIsolated β-bridgetrans-65.8143.6171.3-70.5178.960.6137.4-5.2110.5D44 F106 C107 T113 V114 P146 F148 L149D44-R110 IonicContact OD2-NH1 2.67Å; F106-R110 PolarHBondContact O-N 2.87Å; C107-R110 WeakPolarHBondContact O-CB 3.35Å; C107-R110 PolarHBondContact O-N 3.31Å; R110-T113 PolarHBondContact O-N 2.68Å; R110-V114 PolarHBondContact O-N 3.06Å; R110-P146 PolarHBondContact NE-O 3.15Å; R110-P146 VanDerWaalsContact NE-O 3.16Å; R110-P146 VanDerWaalsContact NH2-C 3.35Å; R110-P146 PolarHBondContact NH2-O 3.35Å; R110-F148 CarbonylContact C-O 3.6Å; R110-F148 WeakPolarHBondContact CA-O 3.44Å; R110-L149 HydrophobicContact CG-CD2 3.83Å
111L95.3Very high94.9Very high0 Ų040 Ų400%018%0.183CC..Hα-helixtrans-49.7-48.8-176.6-179.164.7000113.4T113 V114 L115 V131 V136 V138 V143 F148 V150 V158L111-T113 VanDerWaalsContact C-N 3.3Å; L111-T113 PolarHBondContact O-N 3.43Å; L111-V114 PolarHBondContact O-N 3.16Å; L111-V114 VanDerWaalsContact O-N 3.1Å; L111-L115 HydrophobicContact CD1-CG 4.44Å; L111-L115 HydrophobicContact CG-CD1 4.41Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.76Å; L111-V131 HydrophobicContact CD2-CG1 3.91Å; L111-V131 HydrophobicContact CD2-CG2 3.76Å; L111-V131 HydrophobicContact CG-CG2 3.99Å; L111-V136 HydrophobicContact CD1-CG1 4.21Å; L111-V136 HydrophobicContact CD2-CG1 4.14Å; L111-V136 HydrophobicContact CG-CG1 4.48Å; L111-V138 HydrophobicContact CD1-CG2 3.95Å; L111-V138 HydrophobicContact CD2-CG2 4.42Å; L111-V143 HydrophobicContact CD2-CB 3.92Å; L111-V143 HydrophobicContact CD2-CG1 3.68Å; L111-F148 HydrophobicContact CB-CB 4.39Å; L111-F148 HydrophobicContact CB-CD1 4.45Å; L111-F148 PolarHBondContact N-O 2.9Å; L111-V150 HydrophobicContact CB-CG2 3.99Å; L111-V150 HydrophobicContact CD1-CG2 3.61Å; L111-V150 HydrophobicContact CG-CG2 4.43Å; L111-V158 HydrophobicContact CD1-CG1 3.9Å; L111-V158 HydrophobicContact CD1-CG2 4.27Å
112P96.1Very high94.9Very high3 Ų348.6 Ų48.62%0.01922%0.223CC..Hα-helixtrans-60-35.9178-24.634.5000114.3L115 L116 L124 A127 V128 P146P112-L115 PolarHBondContact O-N 2.87Å; P112-L116 PolarHBondContact O-N 2.92Å; P112-L124 HydrophobicContact CB-CD1 3.78Å; P112-L124 WeakPolarHBondContact O-CD1 3.24Å; P112-A127 HydrophobicContact CB-CB 3.87Å; P112-A127 WeakPolarHBondContact O-CB 3.38Å; P112-V128 HydrophobicContact CB-CG2 3.93Å; P112-V128 HydrophobicContact CG-CG2 3.97Å; P112-P146 WeakPolarHBondContact CD-O 3.33Å; P112-P146 HydrophobicContact CG-CB 3.76Å
113T96Very high95Very high21 Ų2150.2 Ų50.213%0.12923%0.226CC..Hα-helixtrans-72.2-35.7178.1-48.10000111.2Y37 C107 R110 L111 L116 K117Y37-T113 HydrophobicContact CD1-CG2 4.36Å; Y37-T113 HydrophobicContact CE1-CG2 4.37Å; C107-T113 PolarHBondContact O-OG1 3.46Å; R110-T113 PolarHBondContact O-N 2.68Å; L111-T113 VanDerWaalsContact C-N 3.3Å; L111-T113 PolarHBondContact O-N 3.43Å; T113-L116 PolarHBondContact O-N 2.92Å; T113-K117 PolarHBondContact O-N 3.38Å; T113-K117 VanDerWaalsContact O-N 3.15Å
114V95.9Very high95Very high2 Ų251 Ų511%0.01223%0.23CC..Hα-helixtrans-67.1-40.7174.8174.80000110.8R110 L111 L116 K117 L118 V150 E155R110-V114 PolarHBondContact O-N 3.06Å; L111-V114 PolarHBondContact O-N 3.16Å; L111-V114 VanDerWaalsContact O-N 3.1Å; V114-L116 VanDerWaalsContact C-N 3.3Å; V114-L116 PolarHBondContact O-N 2.85Å; V114-K117 WeakPolarHBondContact O-CA 3.39Å; V114-K117 WeakPolarHBondContact O-CB 3.44Å; V114-K117 PolarHBondContact O-N 3.39Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.3Å; V114-V150 HydrophobicContact CG1-CG1 4.46Å; V114-V150 HydrophobicContact CG2-CB 4.18Å; V114-V150 HydrophobicContact CG2-CG2 4.43Å; V114-E155 HydrophobicContact CG1-CG 3.86Å
115L95.9Very high95.1Very high1 Ų156.3 Ų56.31%0.00525%0.253CS..Hα-helixtrans-58.4-40.3174.5-68.9174000112.7L111 P112 K117 L118 R119 M120 A127 V131 V136 V158L111-L115 HydrophobicContact CD1-CG 4.44Å; L111-L115 HydrophobicContact CG-CD1 4.41Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.76Å; P112-L115 PolarHBondContact O-N 2.87Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-L118 CarbonylContact O-C 3.57Å; L115-L118 PolarHBondContact O-N 3.41Å; L115-R119 PolarHBondContact O-N 2.87Å; L115-R119 VanDerWaalsContact O-N 3.15Å; L115-M120 HydrophobicContact CB-CB 4.38Å; L115-M120 HydrophobicContact CD2-CB 4Å; L115-M120 HydrophobicContact CD2-CE 4.01Å; L115-M120 HydrophobicContact CD2-CG 4.31Å; L115-M120 HydrophobicContact CD2-SD 3.43Å; L115-M120 WeakPolarHBondContact CD2-SD 3.5Å; L115-M120 PolarHBondContact O-N 3.05Å; L115-A127 HydrophobicContact CB-CB 4.25Å; L115-A127 HydrophobicContact CD1-CB 4.37Å; L115-V131 HydrophobicContact CD1-CG2 3.56Å; L115-V136 HydrophobicContact CD1-CG1 4.37Å; L115-V136 HydrophobicContact CD1-CG2 3.84Å; L115-V136 HydrophobicContact CD2-CG1 4.06Å; L115-V136 HydrophobicContact CD2-CG2 4.32Å; L115-V158 HydrophobicContact CD2-CG1 3.63Å
116L95.6Very high95.1Very high69 Ų6956.7 Ų56.736%0.36126%0.256SS..Hα-helixtrans-64.5-39.8174.7-171.966.6000111.5P112 T113 V114 R119 A121 Q122P112-L116 PolarHBondContact O-N 2.92Å; T113-L116 PolarHBondContact O-N 2.92Å; V114-L116 VanDerWaalsContact C-N 3.3Å; V114-L116 PolarHBondContact O-N 2.85Å; L116-R119 PolarHBondContact O-N 3.05Å; L116-A121 VanDerWaalsContact CD1-O 3.25Å; L116-A121 WeakPolarHBondContact CD1-O 3.45Å; L116-Q122 WeakPolarHBondContact CD1-O 3.33Å
117K94.4Very high95.1Very high140 Ų14056 Ų5661%0.60925%0.253SS*.Hα-helixtrans-66.1-38.8177-173.9-171.7168.1-145.50112T113 V114 L115 R119 E155T113-K117 PolarHBondContact O-N 3.38Å; T113-K117 VanDerWaalsContact O-N 3.15Å; V114-K117 WeakPolarHBondContact O-CA 3.39Å; V114-K117 WeakPolarHBondContact O-CB 3.44Å; V114-K117 PolarHBondContact O-N 3.39Å; L115-K117 VanDerWaalsContact C-N 3.34Å; K117-R119 PolarHBondContact O-N 2.81Å; K117-E155 IonicContact NZ-OE1 2.78Å; K117-E155 PolarHBondContact NZ-OE1 3.19Å; K117-E155 IonicContact NZ-OE2 3.43Å
118L95.1Very high95.2Very high70 Ų7056.7 Ų56.737%0.36626%0.257SS..THydrogen-bonded Turntrans-77.71.4175.1-65.1176.1000113.3V114 L115 M120 E155 V158V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.3Å; L115-L118 CarbonylContact O-C 3.57Å; L115-L118 PolarHBondContact O-N 3.41Å; L118-M120 HydrophobicContact CB-CG 4.14Å; L118-M120 HydrophobicContact CB-SD 4.46Å; L118-M120 HydrophobicContact CD1-SD 4.41Å; L118-M120 PolarHBondContact O-N 3.2Å; L118-E155 HydrophobicContact CD1-CG 4.47Å; L118-E155 HydrophobicContact CD2-CG 4.46Å; L118-V158 HydrophobicContact CD1-CB 4.07Å; L118-V158 HydrophobicContact CD1-CG1 4.33Å
119R94.7Very high95.2Very high227 Ų22751.9 Ų51.986%0.85725%0.246SC*.THydrogen-bonded Turntrans58.722.5-176.8-53.4-175.3178.9-171.20.8114.6L115 L116 K117 A121L115-R119 PolarHBondContact O-N 2.87Å; L115-R119 VanDerWaalsContact O-N 3.15Å; L116-R119 PolarHBondContact O-N 3.05Å; K117-R119 PolarHBondContact O-N 2.81Å; R119-A121 VanDerWaalsContact C-N 3.33Å
120M93.9Very high95.2Very high40 Ų4053.3 Ų53.320%0.19725%0.252CS..SBendtrans-75.5-23.8174.5-67.3-178.372.700112.5L115 L118 V158 W160L115-M120 HydrophobicContact CB-CB 4.38Å; L115-M120 HydrophobicContact CD2-CB 4Å; L115-M120 HydrophobicContact CD2-CE 4.01Å; L115-M120 HydrophobicContact CD2-CG 4.31Å; L115-M120 HydrophobicContact CD2-SD 3.43Å; L115-M120 WeakPolarHBondContact CD2-SD 3.5Å; L115-M120 PolarHBondContact O-N 3.05Å; L118-M120 HydrophobicContact CB-CG 4.14Å; L118-M120 HydrophobicContact CB-SD 4.46Å; L118-M120 HydrophobicContact CD1-SD 4.41Å; L118-M120 PolarHBondContact O-N 3.2Å; M120-V158 HydrophobicContact SD-CG1 4.21Å; M120-W160 HydrophobicContact CB-CZ2 3.92Å; M120-W160 HydrophobicContact CE-CD2 3.63Å; M120-W160 VanDerWaalsContact CE-CE2 3.41Å; M120-W160 HydrophobicContact CE-CE3 4.24Å; M120-W160 HydrophobicContact CE-CG 3.89Å; M120-W160 HydrophobicContact CE-CH2 4.45Å; M120-W160 HydrophobicContact CE-CZ2 3.88Å; M120-W160 VanDerWaalsContact O-CZ2 3.3Å; M120-W160 WeakPolarHBondContact O-CZ2 3.33Å
121A94.8Very high95.3Very high7 Ų753.1 Ų53.16%0.05825%0.252CS..  trans-13214517500000110L116 R119 A127 F130L116-A121 VanDerWaalsContact CD1-O 3.25Å; L116-A121 WeakPolarHBondContact CD1-O 3.45Å; R119-A121 VanDerWaalsContact C-N 3.33Å; A121-A127 HydrophobicContact CB-CB 3.65Å; A121-F130 HydrophobicContact CB-CD2 4.1Å; A121-F130 HydrophobicContact CB-CE2 4.04Å
122Q93.9Very high95.3Very high181 Ų18157.9 Ų57.985%0.84627%0.274SS*.SBendtrans-77-34.4-179-65.1178.7-0.500112.8L116L116-Q122 WeakPolarHBondContact CD1-O 3.33Å
123H94.9Very high95.2Very high94 Ų9463.7 Ų63.744%0.43530%0.301SS..SBendtrans-140.4152.7-177.653.693.7000110.6Q125 A126 A127H123-Q125 PolarHBondContact O-N 3.26Å; H123-A126 WeakPolarHBondContact CE1-CB 3.23Å; H123-A126 PolarHBondContact CE1-N 2.87Å; H123-A126 VanDerWaalsContact CE1-N 3.29Å; H123-A126 PolarHBondContact ND1-N 2.76Å; H123-A126 WeakPolarHBondContact NE2-CB 2.94Å; H123-A126 PolarHBondContact O-N 2.93Å; H123-A126 VanDerWaalsContact O-N 3.09Å; H123-A127 PolarHBondContact O-N 3.26Å
124L94.2Very high95.2Very high21 Ų2163.6 Ų63.611%0.1130%0.304CS..Hα-helixtrans-61.7-32.7-174.6-166.263000112.6R36 Y37 R38 P112 A127 V128R36-L124 WeakPolarHBondContact O-CD2 3.31Å; Y37-L124 VanDerWaalsContact CA-CD2 3.46Å; Y37-L124 WeakPolarHBondContact O-CD2 3.14Å; R38-L124 HydrophobicContact CB-CD2 4.05Å; R38-L124 HydrophobicContact CB-CG 4.33Å; R38-L124 HydrophobicContact CG-CB 4.43Å; R38-L124 HydrophobicContact CG-CD2 3.91Å; R38-L124 HydrophobicContact CG-CG 4.18Å; P112-L124 HydrophobicContact CB-CD1 3.78Å; P112-L124 WeakPolarHBondContact O-CD1 3.24Å; L124-A127 HydrophobicContact CD1-CB 4.5Å; L124-A127 WeakPolarHBondContact O-CB 3.38Å; L124-A127 PolarHBondContact O-N 3.02Å; L124-V128 WeakPolarHBondContact O-CG2 3.2Å; L124-V128 PolarHBondContact O-N 3.2Å
125Q94.8Very high95.2Very high132 Ų13265.4 Ų65.462%0.61731%0.312SS*.Hα-helixtrans-64.6-39.4176.5-179.5177.5-2.700112.7H123 A129H123-Q125 PolarHBondContact O-N 3.26Å; Q125-A129 PolarHBondContact O-N 3.06Å; Q125-A129 VanDerWaalsContact O-N 3.1Å
126A95.4Very high95.2Very high13 Ų1365.4 Ų65.411%0.10731%0.312CS..Hα-helixtrans-68.4-41.1173.500000110.4H123 V128 A129 F130H123-A126 WeakPolarHBondContact CE1-CB 3.23Å; H123-A126 PolarHBondContact CE1-N 2.87Å; H123-A126 VanDerWaalsContact CE1-N 3.29Å; H123-A126 PolarHBondContact ND1-N 2.76Å; H123-A126 WeakPolarHBondContact NE2-CB 2.94Å; H123-A126 PolarHBondContact O-N 2.93Å; H123-A126 VanDerWaalsContact O-N 3.09Å; A126-V128 VanDerWaalsContact C-N 3.3Å; A126-V128 PolarHBondContact O-N 2.76Å; A126-A129 PolarHBondContact O-N 3.34Å; A126-A129 VanDerWaalsContact O-N 3.12Å; A126-F130 HydrophobicContact CB-CD2 4.46Å; A126-F130 HydrophobicContact CB-CE1 4.49Å; A126-F130 HydrophobicContact CB-CE2 3.95Å; A126-F130 HydrophobicContact CB-CZ 3.96Å; A126-F130 WeakPolarHBondContact O-CB 3.11Å; A126-F130 WeakPolarHBondContact O-CD2 3.22Å; A126-F130 WeakPolarHBondContact O-CG 3.18Å; A126-F130 PolarHBondContact O-N 3.29Å
127A96.1Very high95.2Very high0 Ų064.9 Ų64.90%031%0.305CS..Hα-helixtrans-57.9-42.1176.700000112.2P112 L115 A121 H123 L124 V131P112-A127 HydrophobicContact CB-CB 3.87Å; P112-A127 WeakPolarHBondContact O-CB 3.38Å; L115-A127 HydrophobicContact CB-CB 4.25Å; L115-A127 HydrophobicContact CD1-CB 4.37Å; A121-A127 HydrophobicContact CB-CB 3.65Å; H123-A127 PolarHBondContact O-N 3.26Å; L124-A127 HydrophobicContact CD1-CB 4.5Å; L124-A127 WeakPolarHBondContact O-CB 3.38Å; L124-A127 PolarHBondContact O-N 3.02Å; A127-V131 VanDerWaalsContact O-CG2 3.3Å; A127-V131 WeakPolarHBondContact O-CG2 3.49Å; A127-V131 PolarHBondContact O-N 3.09Å
128V95.8Very high95.3Very high15 Ų1558.9 Ų58.99%0.09128%0.28CS..Hα-helixtrans-62.3-50.4173.3176.60000110.5R38 P112 L124 A126 F130 V131 E132 P146R38-V128 HydrophobicContact CB-CG2 4.38Å; P112-V128 HydrophobicContact CB-CG2 3.93Å; P112-V128 HydrophobicContact CG-CG2 3.97Å; L124-V128 WeakPolarHBondContact O-CG2 3.2Å; L124-V128 PolarHBondContact O-N 3.2Å; A126-V128 VanDerWaalsContact C-N 3.3Å; A126-V128 PolarHBondContact O-N 2.76Å; V128-F130 VanDerWaalsContact C-N 3.33Å; V128-F130 PolarHBondContact O-N 2.92Å; V128-V131 PolarHBondContact O-N 2.89Å; V128-E132 HydrophobicContact CG1-CG 4.18Å; V128-E132 WeakPolarHBondContact O-CG 3.44Å; V128-E132 PolarHBondContact O-N 2.78Å; V128-P146 HydrophobicContact CG1-CB 4.26Å; V128-P146 HydrophobicContact CG1-CG 3.99Å
129A95.7Very high95.2Very high30 Ų3056.6 Ų56.625%0.24827%0.274CS..Hα-helixtrans-59.3-41.4-179.100000112.8Q125 A126 V131 E132 Q133Q125-A129 PolarHBondContact O-N 3.06Å; Q125-A129 VanDerWaalsContact O-N 3.1Å; A126-A129 PolarHBondContact O-N 3.34Å; A126-A129 VanDerWaalsContact O-N 3.12Å; A129-V131 VanDerWaalsContact C-N 3.34Å; A129-V131 PolarHBondContact O-N 3.24Å; A129-E132 PolarHBondContact O-N 2.99Å; A129-Q133 VanDerWaalsContact O-CB 3.29Å; A129-Q133 WeakPolarHBondContact O-CB 2.93Å; A129-Q133 WeakPolarHBondContact O-CG 3.39Å; A129-Q133 PolarHBondContact O-N 3.15Å
130F96Very high95.1Very high49 Ų4951 Ų5122%0.21527%0.267CS..Hα-helixtrans-64.6-37.6178.5-63.2-23.9000112.8A121 A126 V128 G134 H135 V136 W160 I166A121-F130 HydrophobicContact CB-CD2 4.1Å; A121-F130 HydrophobicContact CB-CE2 4.04Å; A126-F130 HydrophobicContact CB-CD2 4.46Å; A126-F130 HydrophobicContact CB-CE1 4.49Å; A126-F130 HydrophobicContact CB-CE2 3.95Å; A126-F130 HydrophobicContact CB-CZ 3.96Å; A126-F130 WeakPolarHBondContact O-CB 3.11Å; A126-F130 WeakPolarHBondContact O-CD2 3.22Å; A126-F130 WeakPolarHBondContact O-CG 3.18Å; A126-F130 PolarHBondContact O-N 3.29Å; V128-F130 VanDerWaalsContact C-N 3.33Å; V128-F130 PolarHBondContact O-N 2.92Å; F130-G134 PolarHBondContact O-N 3.05Å; F130-H135 WeakPolarHBondContact O-CB 3.33Å; F130-H135 PolarHBondContact O-N 2.69Å; F130-V136 HydrophobicContact CB-CG2 4.48Å; F130-W160 HydrophobicContact CB-CH2 4.43Å; F130-W160 HydrophobicContact CB-CZ3 4.12Å; F130-W160 AromaticContact CD2-CH2 3.64Å; F130-W160 HydrophobicContact CD2-CH2 3.64Å; F130-W160 HydrophobicContact CD2-CZ3 4.16Å; F130-W160 HydrophobicContact CE2-CH2 4.1Å; F130-W160 HydrophobicContact CG-CH2 4.21Å; F130-W160 HydrophobicContact CG-CZ3 4.28Å; F130-I166 HydrophobicContact CB-CD1 4.35Å; F130-I166 HydrophobicContact CD1-CD1 3.41Å; F130-I166 VanDerWaalsContact CD1-CD1 3.41Å; F130-I166 HydrophobicContact CD2-CD1 4.2Å; F130-I166 HydrophobicContact CE1-CD1 3.58Å; F130-I166 HydrophobicContact CE2-CD1 4.32Å; F130-I166 HydrophobicContact CG-CD1 3.74Å; F130-I166 HydrophobicContact CZ-CD1 4.03Å
131V95.9Very high95.1Very high0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-68.8-48.5174.8173.80000110.1L111 L115 A127 V128 A129 Q133 G134 V136 T144 P146L111-V131 HydrophobicContact CD2-CG1 3.91Å; L111-V131 HydrophobicContact CD2-CG2 3.76Å; L111-V131 HydrophobicContact CG-CG2 3.99Å; L115-V131 HydrophobicContact CD1-CG2 3.56Å; A127-V131 VanDerWaalsContact O-CG2 3.3Å; A127-V131 WeakPolarHBondContact O-CG2 3.49Å; A127-V131 PolarHBondContact O-N 3.09Å; V128-V131 PolarHBondContact O-N 2.89Å; A129-V131 VanDerWaalsContact C-N 3.34Å; A129-V131 PolarHBondContact O-N 3.24Å; V131-Q133 VanDerWaalsContact C-N 3.27Å; V131-Q133 PolarHBondContact O-N 2.82Å; V131-G134 PolarHBondContact O-N 3.12Å; V131-V136 HydrophobicContact CG2-CB 4.28Å; V131-V136 HydrophobicContact CG2-CG2 4.07Å; V131-T144 WeakPolarHBondContact O-CA 3.3Å; V131-P146 HydrophobicContact CG1-CG 4.23Å
132E95.7Very high95.2Very high101 Ų10157.8 Ų57.847%0.47231%0.306SS..Hα-helixtrans-61-34.7179.3-69.6-178.4139.600113.1Q40 V128 A129 G134 P146Q40-E132 PolarHBondContact NE2-OE1 3.34Å; V128-E132 HydrophobicContact CG1-CG 4.18Å; V128-E132 WeakPolarHBondContact O-CG 3.44Å; V128-E132 PolarHBondContact O-N 2.78Å; A129-E132 PolarHBondContact O-N 2.99Å; E132-G134 PolarHBondContact O-N 3.35Å; E132-P146 HydrophobicContact CG-CG 3.66Å
133Q95.6Very high95.2Very high124 Ų12450 Ų5058%0.57927%0.271SS*.THydrogen-bonded Turntrans-74.2-10.2175.5-71.8165.7-1.400113.3A129 V131 H135A129-Q133 VanDerWaalsContact O-CB 3.29Å; A129-Q133 WeakPolarHBondContact O-CB 2.93Å; A129-Q133 WeakPolarHBondContact O-CG 3.39Å; A129-Q133 PolarHBondContact O-N 3.15Å; V131-Q133 VanDerWaalsContact C-N 3.27Å; V131-Q133 PolarHBondContact O-N 2.82Å; Q133-H135 PolarHBondContact OE1-CD2 2.95Å
134G94.9Very high95.3Very high19 Ų1949.8 Ų49.820%0.19628%0.276CS..THydrogen-bonded Turntrans79.426.5179.900000114.4F130 V131 E132 V136F130-G134 PolarHBondContact O-N 3.05Å; V131-G134 PolarHBondContact O-N 3.12Å; E132-G134 PolarHBondContact O-N 3.35Å; G134-V136 VanDerWaalsContact C-N 3.34Å
135H96Very high95.3Very high41 Ų4152.4 Ų52.419%0.1929%0.29CS..  trans-80.1-14.9177.2-71.6-56.2000113.8F130 Q133 W160 V161 S164 I166F130-H135 WeakPolarHBondContact O-CB 3.33Å; F130-H135 PolarHBondContact O-N 2.69Å; Q133-H135 PolarHBondContact OE1-CD2 2.95Å; H135-W160 HydrophobicContact CB-CE3 3.96Å; H135-W160 HydrophobicContact CB-CZ3 3.95Å; H135-W160 WeakPolarHBondContact O-CA 3.44Å; H135-V161 PolarHBondContact O-N 3.29Å; H135-S164 PolarHBondContact ND1-OG 2.89Å; H135-I166 HydrophobicContact CB-CD1 3.93Å
136V96.3Very high95.3Very high0 Ų046.3 Ų46.30%026%0.262CS..EExtended strand (participates in β ladder)trans-111.1133.8-171.4-178.30000110.6L111 L115 F130 V131 G134 V143 V158 W160L111-V136 HydrophobicContact CD1-CG1 4.21Å; L111-V136 HydrophobicContact CD2-CG1 4.14Å; L111-V136 HydrophobicContact CG-CG1 4.48Å; L115-V136 HydrophobicContact CD1-CG1 4.37Å; L115-V136 HydrophobicContact CD1-CG2 3.84Å; L115-V136 HydrophobicContact CD2-CG1 4.06Å; L115-V136 HydrophobicContact CD2-CG2 4.32Å; F130-V136 HydrophobicContact CB-CG2 4.48Å; V131-V136 HydrophobicContact CG2-CB 4.28Å; V131-V136 HydrophobicContact CG2-CG2 4.07Å; G134-V136 VanDerWaalsContact C-N 3.34Å; V136-V143 PolarHBondContact O-N 3.24Å; V136-V158 HydrophobicContact CG1-CG1 4.07Å; V136-W160 HydrophobicContact CG2-CE3 4.06Å; V136-W160 HydrophobicContact CG2-CZ3 3.78Å
137R95.6Very high95.3Very high58 Ų5846.3 Ų46.322%0.21926%0.262CS..EExtended strand (participates in β ladder)trans-117.915316964.1176-178-171-8.8111.2G139 D141 T159 W160 V161 D162R137-G139 WeakPolarHBondContact CD-O 3.47Å; R137-D141 CarbonylContact C-O 3.17Å; R137-D141 VanDerWaalsContact CA-O 3.24Å; R137-D141 WeakPolarHBondContact CA-O 3.35Å; R137-D141 VanDerWaalsContact CB-O 3.26Å; R137-D141 WeakPolarHBondContact CB-O 3.12Å; R137-T159 HydrophobicContact CG-CG2 3.74Å; R137-T159 PolarHBondContact N-O 3.44Å; R137-T159 VanDerWaalsContact NE-CG2 3.34Å; R137-T159 PolarHBondContact O-N 3.3Å; R137-T159 VanDerWaalsContact O-O 3.11Å; R137-W160 PolarHBondContact NE-O 3.41Å; R137-V161 HydrophobicContact CB-CG2 4.05Å; R137-V161 HydrophobicContact CG-CG2 4.38Å; R137-D162 IonicContact CZ-OD1 3.41Å; R137-D162 IonicContact CZ-OD2 3.3Å; R137-D162 IonicContact NH1-OD2 3.44Å; R137-D162 PolarHBondContact NH1-OD2 2.97Å; R137-D162 IonicContact NH2-OD1 3.29Å; R137-D162 PolarHBondContact NH2-OD1 3.19Å; R137-D162 IonicContact NH2-OD2 3.52Å; R137-D162 PolarHBondContact NH2-OD2 2.99Å
138V95.3Very high95.2Very high14 Ų1449.6 Ų49.69%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-119.8105.3172-175.90000107.1L111 D141 V143 F148 M154 V158L111-V138 HydrophobicContact CD1-CG2 3.95Å; L111-V138 HydrophobicContact CD2-CG2 4.42Å; V138-D141 PolarHBondContact N-O 3.28Å; V138-V143 HydrophobicContact CB-CG2 4.07Å; V138-V143 HydrophobicContact CG2-CB 4.48Å; V138-V143 HydrophobicContact CG2-CG2 3.76Å; V138-F148 HydrophobicContact CB-CE1 4.29Å; V138-F148 HydrophobicContact CG1-CE1 4.13Å; V138-F148 HydrophobicContact CG2-CD1 4.33Å; V138-F148 HydrophobicContact CG2-CE1 3.99Å; V138-M154 HydrophobicContact CG1-CB 4.1Å; V138-V158 HydrophobicContact CG1-CG2 4.37Å; V138-V158 HydrophobicContact CG2-CG2 4.19Å
139G93.7Very high95.2Very high23 Ų2352 Ų5224%0.23729%0.288CS..THydrogen-bonded Turntrans67-132.3-166.400000110.6R137 F157R137-G139 WeakPolarHBondContact CD-O 3.47Å; G139-F157 PolarHBondContact N-O 3.13Å
140P93Very high95.2Very high109 Ų10950.6 Ų50.671%0.70828%0.277SS*.THydrogen-bonded Turntrans-78.1-23.7178.531.6-33.6000113.1
141D94.2Very high95.2Very high112 Ų11249.6 Ų49.660%0.59928%0.275SS*.EExtended strand (participates in β ladder)trans-90.8131.3-167.3-61-38.4000112.1R137 V138R137-D141 CarbonylContact C-O 3.17Å; R137-D141 VanDerWaalsContact CA-O 3.24Å; R137-D141 WeakPolarHBondContact CA-O 3.35Å; R137-D141 VanDerWaalsContact CB-O 3.26Å; R137-D141 WeakPolarHBondContact CB-O 3.12Å; V138-D141 PolarHBondContact N-O 3.28Å
142V95.5Very high95.1Very high78 Ų7853.5 Ų53.547%0.47329%0.289SS..EExtended strand (participates in β ladder)trans-75.1126.2173.6-174.50000109.4V161V142-V161 HydrophobicContact CB-CG2 4.43Å; V142-V161 HydrophobicContact CG1-CG2 3.95Å; V142-V161 HydrophobicContact CG2-CG2 3.78Å
143V95.5Very high95.1Very high17 Ų1752.5 Ų52.510%0.10329%0.294CS..  trans-107.5118.2-178.2-179.50000109.6L111 V136 V138 F148L111-V143 HydrophobicContact CD2-CB 3.92Å; L111-V143 HydrophobicContact CD2-CG1 3.68Å; V136-V143 PolarHBondContact O-N 3.24Å; V138-V143 HydrophobicContact CB-CG2 4.07Å; V138-V143 HydrophobicContact CG2-CB 4.48Å; V138-V143 HydrophobicContact CG2-CG2 3.76Å; V143-F148 HydrophobicContact CG1-CB 3.67Å; V143-F148 HydrophobicContact CG1-CD1 4.33Å; V143-F148 HydrophobicContact CG1-CD2 4.36Å; V143-F148 HydrophobicContact CG1-CG 3.88Å
144T95.8Very high95Very high89 Ų8950.4 Ų50.455%0.54629%0.285SS..  trans-101.1-15.217854.30000113.6V131 P146V131-T144 WeakPolarHBondContact O-CA 3.3Å; T144-P146 WeakPolarHBondContact O-CD 3.46Å
145D94.9Very high95Very high76 Ų7650.5 Ų50.541%0.40628%0.28SS..  trans-89.1115.8179.9-176.74.5000112A147 F148D145-A147 PolarHBondContact O-N 3.38Å; D145-A147 VanDerWaalsContact O-N 3.13Å; D145-A147 VanDerWaalsContact OD1-CB 3.3Å; D145-A147 WeakPolarHBondContact OD1-CB 3.39Å; D145-A147 PolarHBondContact OD1-N 3.27Å; D145-F148 WeakPolarHBondContact O-CB 3.25Å; D145-F148 PolarHBondContact O-N 3.5Å; D145-F148 VanDerWaalsContact O-N 3.16Å
146P94.6Very high94.9Very high4 Ų455.1 Ų55.13%0.02631%0.306CS..THydrogen-bonded Turntrans-65.3-12.5175.4-20.134.2000114.5R110 P112 V128 V131 E132 T144 F148R110-P146 PolarHBondContact NE-O 3.15Å; R110-P146 VanDerWaalsContact NE-O 3.16Å; R110-P146 VanDerWaalsContact NH2-C 3.35Å; R110-P146 PolarHBondContact NH2-O 3.35Å; P112-P146 WeakPolarHBondContact CD-O 3.33Å; P112-P146 HydrophobicContact CG-CB 3.76Å; V128-P146 HydrophobicContact CG1-CB 4.26Å; V128-P146 HydrophobicContact CG1-CG 3.99Å; V131-P146 HydrophobicContact CG1-CG 4.23Å; E132-P146 HydrophobicContact CG-CG 3.66Å; T144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-F148 VanDerWaalsContact C-N 3.33Å
147A94.8Very high94.8Very high13 Ų1361.2 Ų61.211%0.10733%0.333CS..THydrogen-bonded Turntrans-85.8-2.9176.700000113.6D145 L149D145-A147 PolarHBondContact O-N 3.38Å; D145-A147 VanDerWaalsContact O-N 3.13Å; D145-A147 VanDerWaalsContact OD1-CB 3.3Å; D145-A147 WeakPolarHBondContact OD1-CB 3.39Å; D145-A147 PolarHBondContact OD1-N 3.27Å; A147-L149 PolarHBondContact O-N 3.31Å
148F95.3Very high94.9Very high70 Ų7059 Ų5931%0.30733%0.326SS..PPolyproline II helixtrans-57.1127174.8-174.6-99.2000111.5R110 L111 V138 V143 D145 P146 V150R110-F148 CarbonylContact C-O 3.6Å; R110-F148 WeakPolarHBondContact CA-O 3.44Å; L111-F148 HydrophobicContact CB-CB 4.39Å; L111-F148 HydrophobicContact CB-CD1 4.45Å; L111-F148 PolarHBondContact N-O 2.9Å; V138-F148 HydrophobicContact CB-CE1 4.29Å; V138-F148 HydrophobicContact CG1-CE1 4.13Å; V138-F148 HydrophobicContact CG2-CD1 4.33Å; V138-F148 HydrophobicContact CG2-CE1 3.99Å; V143-F148 HydrophobicContact CG1-CB 3.67Å; V143-F148 HydrophobicContact CG1-CD1 4.33Å; V143-F148 HydrophobicContact CG1-CD2 4.36Å; V143-F148 HydrophobicContact CG1-CG 3.88Å; D145-F148 WeakPolarHBondContact O-CB 3.25Å; D145-F148 PolarHBondContact O-N 3.5Å; D145-F148 VanDerWaalsContact O-N 3.16Å; P146-F148 VanDerWaalsContact C-N 3.33Å; F148-V150 HydrophobicContact CD1-CG2 3.95Å; F148-V150 HydrophobicContact CE1-CG2 4.1Å
149L95.3Very high94.9Very high64 Ų6461 Ų6134%0.33534%0.338SS..BIsolated β-bridgetrans-94.5117.7178.9-69.6177.7000110Y48 F106 R109 R110 A147Y48-L149 HydrophobicContact CE1-CD1 4.25Å; F106-L149 HydrophobicContact CD1-CD1 4.25Å; F106-L149 WeakPolarHBondContact O-CD2 3.39Å; R109-L149 HydrophobicContact CB-CD2 4.24Å; R109-L149 WeakPolarHBondContact O-CA 3.43Å; R110-L149 HydrophobicContact CG-CD2 3.83Å; A147-L149 PolarHBondContact O-N 3.31Å
150V95.9Very high94.9Very high1 Ų161.1 Ų61.11%0.00633%0.332CS..PPolyproline II helixtrans-86.8120.4-179.8-175.10000109.2R109 L111 V114 F148 M154 E155 V158R109-V150 VanDerWaalsContact CZ-O 3.24Å; R109-V150 PolarHBondContact NE-O 3.16Å; R109-V150 PolarHBondContact NH2-O 2.9Å; R109-V150 PolarHBondContact O-N 2.88Å; L111-V150 HydrophobicContact CB-CG2 3.99Å; L111-V150 HydrophobicContact CD1-CG2 3.61Å; L111-V150 HydrophobicContact CG-CG2 4.43Å; V114-V150 HydrophobicContact CG1-CG1 4.46Å; V114-V150 HydrophobicContact CG2-CB 4.18Å; V114-V150 HydrophobicContact CG2-CG2 4.43Å; F148-V150 HydrophobicContact CD1-CG2 3.95Å; F148-V150 HydrophobicContact CE1-CG2 4.1Å; V150-M154 HydrophobicContact CG1-CB 4.08Å; V150-E155 HydrophobicContact CG1-CB 4.18Å; V150-V158 HydrophobicContact CG1-CG2 3.92Å; V150-V158 HydrophobicContact CG2-CG2 4.46Å
151T95.8Very high95Very high29 Ų2956.9 Ų56.918%0.17830%0.304CS..PPolyproline II helixtrans-73.8165.4172.2680000110.8L86 R109 S153 M154 E155L86-T151 HydrophobicContact CD2-CG2 4.04Å; R109-T151 PolarHBondContact NH2-O 3.38Å; T151-S153 VanDerWaalsContact C-N 3.32Å; T151-S153 PolarHBondContact O-N 3.42Å; T151-S153 PolarHBondContact OG1-OG 3.33Å; T151-M154 HydrophobicContact CG2-SD 4.06Å; T151-M154 PolarHBondContact O-N 3.28Å; T151-M154 WeakPolarHBondContact OG1-CB 3.43Å; T151-M154 VanDerWaalsContact OG1-CG 3.24Å; T151-M154 WeakPolarHBondContact OG1-CG 3.44Å; T151-M154 PolarHBondContact OG1-N 2.95Å; T151-M154 PolarHBondContact OG1-SD 2.97Å; T151-E155 PolarHBondContact O-N 3.06Å; T151-E155 VanDerWaalsContact O-N 3.16Å
152R94.6Very high94.8Very high81 Ų8153.9 Ų53.931%0.30629%0.288SS..THydrogen-bonded Turntrans-61.2-41.7-179-72.9-171.1-176.4-110.62.9112.4Y84 A85 V89 M154 E155Y84-R152 WeakPolarHBondContact O-CD 3.35Å; Y84-R152 PolarHBondContact O-NE 3.22Å; A85-R152 PolarHBondContact O-N 3.43Å; V89-R152 PolarHBondContact O-NH2 2.98Å; R152-M154 VanDerWaalsContact C-N 3.3Å; R152-M154 PolarHBondContact O-N 3.47Å; R152-E155 WeakPolarHBondContact O-CB 3.35Å; R152-E155 PolarHBondContact O-N 3.04Å
153S94.9Very high94.5Very high80 Ų8054.7 Ų54.756%0.55930%0.297SS*.THydrogen-bonded Turntrans-70.7-27.2179.353.70000112.9T151 F157T151-S153 VanDerWaalsContact C-N 3.32Å; T151-S153 PolarHBondContact O-N 3.42Å; T151-S153 PolarHBondContact OG1-OG 3.33Å; S153-F157 VanDerWaalsContact O-CD2 3.26Å; S153-F157 WeakPolarHBondContact O-CD2 3.3Å; S153-F157 VanDerWaalsContact O-CE2 3.29Å; S153-F157 WeakPolarHBondContact O-CE2 3.4Å
154M94.1Very high94.3Very high81 Ų8154 Ų5440%0.39929%0.293SS..THydrogen-bonded Turntrans-81.1-15.7176.6-72.5165.917100113.1V138 V150 T151 R152 D156 F157V138-M154 HydrophobicContact CG1-CB 4.1Å; V150-M154 HydrophobicContact CG1-CB 4.08Å; T151-M154 HydrophobicContact CG2-SD 4.06Å; T151-M154 PolarHBondContact O-N 3.28Å; T151-M154 WeakPolarHBondContact OG1-CB 3.43Å; T151-M154 VanDerWaalsContact OG1-CG 3.24Å; T151-M154 WeakPolarHBondContact OG1-CG 3.44Å; T151-M154 PolarHBondContact OG1-N 2.95Å; T151-M154 PolarHBondContact OG1-SD 2.97Å; R152-M154 VanDerWaalsContact C-N 3.3Å; R152-M154 PolarHBondContact O-N 3.47Å; M154-D156 VanDerWaalsContact C-N 3.28Å; M154-D156 PolarHBondContact O-N 3.46Å; M154-F157 PolarHBondContact O-N 3.19Å; M154-F157 VanDerWaalsContact O-N 3.16Å
155E94Very high94.1Very high20 Ų2056.8 Ų56.89%0.09330%0.297CS..G310 helixtrans-61.2-36.5-177-169.4165.5163.500111.9R109 V114 K117 L118 V150 T151 R152 F157 V158R109-E155 IonicContact CZ-OE2 3.77Å; R109-E155 VanDerWaalsContact CZ-OE2 3.31Å; R109-E155 IonicContact NH1-OE2 2.78Å; R109-E155 PolarHBondContact NH1-OE2 2.97Å; R109-E155 IonicContact NH2-OE2 3.24Å; R109-E155 PolarHBondContact NH2-OE2 3.4Å; V114-E155 HydrophobicContact CG1-CG 3.86Å; K117-E155 IonicContact NZ-OE1 2.78Å; K117-E155 PolarHBondContact NZ-OE1 3.19Å; K117-E155 IonicContact NZ-OE2 3.43Å; L118-E155 HydrophobicContact CD1-CG 4.47Å; L118-E155 HydrophobicContact CD2-CG 4.46Å; V150-E155 HydrophobicContact CG1-CB 4.18Å; T151-E155 PolarHBondContact O-N 3.06Å; T151-E155 VanDerWaalsContact O-N 3.16Å; R152-E155 WeakPolarHBondContact O-CB 3.35Å; R152-E155 PolarHBondContact O-N 3.04Å; E155-F157 VanDerWaalsContact C-N 3.27Å; E155-F157 PolarHBondContact O-N 2.84Å; E155-V158 WeakPolarHBondContact O-CG2 3Å; E155-V158 PolarHBondContact O-N 3.47Å
156D94.1Very high94Very high139 Ų13954.7 Ų54.774%0.74329%0.286SS*.G310 helixtrans-72.4-20.8179.8-59.1-31.4000113M154M154-D156 VanDerWaalsContact C-N 3.28Å; M154-D156 PolarHBondContact O-N 3.46Å
157F95Very high93.9Very high128 Ų12857 Ų5756%0.56130%0.295SS*.G310 helixtrans-95.76.2179.4-56.2-69.2000112.8G139 S153 M154 E155 T159G139-F157 PolarHBondContact N-O 3.13Å; S153-F157 VanDerWaalsContact O-CD2 3.26Å; S153-F157 WeakPolarHBondContact O-CD2 3.3Å; S153-F157 VanDerWaalsContact O-CE2 3.29Å; S153-F157 WeakPolarHBondContact O-CE2 3.4Å; M154-F157 PolarHBondContact O-N 3.19Å; M154-F157 VanDerWaalsContact O-N 3.16Å; E155-F157 VanDerWaalsContact C-N 3.27Å; E155-F157 PolarHBondContact O-N 2.84Å; F157-T159 PolarHBondContact O-N 3.04Å
158V96Very high93.7Very high11 Ų1161.3 Ų61.37%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-78.2113.2173.8-177.20000108.7L111 L115 L118 M120 V136 V138 V150 E155L111-V158 HydrophobicContact CD1-CG1 3.9Å; L111-V158 HydrophobicContact CD1-CG2 4.27Å; L115-V158 HydrophobicContact CD2-CG1 3.63Å; L118-V158 HydrophobicContact CD1-CB 4.07Å; L118-V158 HydrophobicContact CD1-CG1 4.33Å; M120-V158 HydrophobicContact SD-CG1 4.21Å; V136-V158 HydrophobicContact CG1-CG1 4.07Å; V138-V158 HydrophobicContact CG1-CG2 4.37Å; V138-V158 HydrophobicContact CG2-CG2 4.19Å; V150-V158 HydrophobicContact CG1-CG2 3.92Å; V150-V158 HydrophobicContact CG2-CG2 4.46Å; E155-V158 WeakPolarHBondContact O-CG2 3Å; E155-V158 PolarHBondContact O-N 3.47Å
159T95.2Very high93.6Very high56 Ų5663.8 Ų63.834%0.34432%0.321SS..EExtended strand (participates in β ladder)trans-146.1172.4179.9-170.20000111.3R137 F157R137-T159 HydrophobicContact CG-CG2 3.74Å; R137-T159 PolarHBondContact N-O 3.44Å; R137-T159 VanDerWaalsContact NE-CG2 3.34Å; R137-T159 PolarHBondContact O-N 3.3Å; R137-T159 VanDerWaalsContact O-O 3.11Å; F157-T159 PolarHBondContact O-N 3.04Å
160W95.2Very high93.5Very high25 Ų2563.7 Ų63.710%0.09532%0.323CS..EExtended strand (participates in β ladder)trans-71.3147.7171.7-59.3112.5000110.5M120 F130 H135 V136 R137 I166 K167M120-W160 HydrophobicContact CB-CZ2 3.92Å; M120-W160 HydrophobicContact CE-CD2 3.63Å; M120-W160 VanDerWaalsContact CE-CE2 3.41Å; M120-W160 HydrophobicContact CE-CE3 4.24Å; M120-W160 HydrophobicContact CE-CG 3.89Å; M120-W160 HydrophobicContact CE-CH2 4.45Å; M120-W160 HydrophobicContact CE-CZ2 3.88Å; M120-W160 VanDerWaalsContact O-CZ2 3.3Å; M120-W160 WeakPolarHBondContact O-CZ2 3.33Å; F130-W160 HydrophobicContact CB-CH2 4.43Å; F130-W160 HydrophobicContact CB-CZ3 4.12Å; F130-W160 AromaticContact CD2-CH2 3.64Å; F130-W160 HydrophobicContact CD2-CH2 3.64Å; F130-W160 HydrophobicContact CD2-CZ3 4.16Å; F130-W160 HydrophobicContact CE2-CH2 4.1Å; F130-W160 HydrophobicContact CG-CH2 4.21Å; F130-W160 HydrophobicContact CG-CZ3 4.28Å; H135-W160 HydrophobicContact CB-CE3 3.96Å; H135-W160 HydrophobicContact CB-CZ3 3.95Å; H135-W160 WeakPolarHBondContact O-CA 3.44Å; V136-W160 HydrophobicContact CG2-CE3 4.06Å; V136-W160 HydrophobicContact CG2-CZ3 3.78Å; R137-W160 PolarHBondContact NE-O 3.41Å; W160-I166 HydrophobicContact CD2-CB 4.43Å; W160-I166 HydrophobicContact CD2-CG2 4.12Å; W160-I166 HydrophobicContact CE3-CB 4.28Å; W160-I166 HydrophobicContact CE3-CD1 4.33Å; W160-I166 HydrophobicContact CE3-CG2 4.23Å; W160-I166 HydrophobicContact CH2-CB 4.48Å; W160-I166 HydrophobicContact CH2-CD1 3.96Å; W160-I166 HydrophobicContact CH2-CG2 3.76Å; W160-I166 HydrophobicContact CZ2-CG2 3.59Å; W160-I166 HydrophobicContact CZ3-CB 4.31Å; W160-I166 HydrophobicContact CZ3-CD1 3.67Å; W160-I166 HydrophobicContact CZ3-CG2 4.08Å; W160-K167 HydrophobicContact CB-CB 3.84Å; W160-K167 HydrophobicContact CB-CD 4.43Å; W160-K167 HydrophobicContact CB-CG 4.23Å; W160-K167 HydrophobicContact CG-CB 4.3Å
161V94.2Very high93.3Very high20 Ų2065.6 Ų65.612%0.12133%0.333CS..  trans-61.9143165.5-179.90000108.8H135 R137 V142 S163 S164H135-V161 PolarHBondContact O-N 3.29Å; R137-V161 HydrophobicContact CB-CG2 4.05Å; R137-V161 HydrophobicContact CG-CG2 4.38Å; V142-V161 HydrophobicContact CB-CG2 4.43Å; V142-V161 HydrophobicContact CG1-CG2 3.95Å; V142-V161 HydrophobicContact CG2-CG2 3.78Å; V161-S163 VanDerWaalsContact C-N 3.32Å; V161-S163 WeakPolarHBondContact CG1-OG 3.34Å; V161-S163 PolarHBondContact O-N 3.18Å; V161-S164 WeakPolarHBondContact O-CB 3.45Å; V161-S164 PolarHBondContact O-N 3.37Å
162D89.9Confident93.2Very high50 Ų5067.7 Ų67.727%0.26734%0.341SS..THydrogen-bonded Turntrans-62.3-39.6-174.5-63.6-42.1000112.2R137 S164 K167 L182R137-D162 IonicContact CZ-OD1 3.41Å; R137-D162 IonicContact CZ-OD2 3.3Å; R137-D162 IonicContact NH1-OD2 3.44Å; R137-D162 PolarHBondContact NH1-OD2 2.97Å; R137-D162 IonicContact NH2-OD1 3.29Å; R137-D162 PolarHBondContact NH2-OD1 3.19Å; R137-D162 IonicContact NH2-OD2 3.52Å; R137-D162 PolarHBondContact NH2-OD2 2.99Å; D162-S164 PolarHBondContact O-N 2.79Å; D162-K167 IonicContact OD1-NZ 3.54Å; D162-K167 PolarHBondContact OD1-NZ 2.89Å; D162-L182 WeakPolarHBondContact O-CD2 3.49Å
163S89.3Confident93.1Very high94 Ų9472.8 Ų72.866%0.65736%0.361SS*.THydrogen-bonded Turntrans-75.53.7174.461.90000115V161 K165V161-S163 VanDerWaalsContact C-N 3.32Å; V161-S163 WeakPolarHBondContact CG1-OG 3.34Å; V161-S163 PolarHBondContact O-N 3.18Å; S163-K165 PolarHBondContact O-N 3.05Å
164S90.9Very high93.1Very high3 Ų372.9 Ų72.92%0.02136%0.355CS..  trans-69.6126.7-176.6-178.90000111.9H135 V161 D162 I166 K167 R168H135-S164 PolarHBondContact ND1-OG 2.89Å; V161-S164 WeakPolarHBondContact O-CB 3.45Å; V161-S164 PolarHBondContact O-N 3.37Å; D162-S164 PolarHBondContact O-N 2.79Å; S164-I166 PolarHBondContact O-N 2.96Å; S164-I166 VanDerWaalsContact O-N 3.16Å; S164-I166 PolarHBondContact OG-N 3.49Å; S164-K167 WeakPolarHBondContact O-CB 3.46Å; S164-K167 PolarHBondContact O-N 3.41Å; S164-R168 PolarHBondContact O-N 2.99Å
165K91.8Very high93Very high148 Ų14877.9 Ų77.964%0.64338%0.378SS*.Hα-helixtrans-57.4-28.7170.9-68-176.5-178.7177.90112.7S163 H169S163-K165 PolarHBondContact O-N 3.05Å; K165-H169 WeakPolarHBondContact O-CB 3.48Å; K165-H169 PolarHBondContact O-N 3.39Å
166I92.8Very high92.8Very high32 Ų3283.1 Ų83.116%0.16440%0.402CS..Hα-helixtrans-68.8-44.4176.7-57.4175.2000110F130 H135 W160 S164 R168 H169 V170F130-I166 HydrophobicContact CB-CD1 4.35Å; F130-I166 HydrophobicContact CD1-CD1 3.41Å; F130-I166 VanDerWaalsContact CD1-CD1 3.41Å; F130-I166 HydrophobicContact CD2-CD1 4.2Å; F130-I166 HydrophobicContact CE1-CD1 3.58Å; F130-I166 HydrophobicContact CE2-CD1 4.32Å; F130-I166 HydrophobicContact CG-CD1 3.74Å; F130-I166 HydrophobicContact CZ-CD1 4.03Å; H135-I166 HydrophobicContact CB-CD1 3.93Å; W160-I166 HydrophobicContact CD2-CB 4.43Å; W160-I166 HydrophobicContact CD2-CG2 4.12Å; W160-I166 HydrophobicContact CE3-CB 4.28Å; W160-I166 HydrophobicContact CE3-CD1 4.33Å; W160-I166 HydrophobicContact CE3-CG2 4.23Å; W160-I166 HydrophobicContact CH2-CB 4.48Å; W160-I166 HydrophobicContact CH2-CD1 3.96Å; W160-I166 HydrophobicContact CH2-CG2 3.76Å; W160-I166 HydrophobicContact CZ2-CG2 3.59Å; W160-I166 HydrophobicContact CZ3-CB 4.31Å; W160-I166 HydrophobicContact CZ3-CD1 3.67Å; W160-I166 HydrophobicContact CZ3-CG2 4.08Å; S164-I166 PolarHBondContact O-N 2.96Å; S164-I166 VanDerWaalsContact O-N 3.16Å; S164-I166 PolarHBondContact OG-N 3.49Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 3.19Å; I166-H169 PolarHBondContact O-N 3.21Å; I166-V170 WeakPolarHBondContact O-CG2 3.36Å; I166-V170 PolarHBondContact O-N 2.84Å
167K92.1Very high92.3Very high51 Ų5181.4 Ų81.422%0.22239%0.385CS..Hα-helixtrans-59.3-47.8175.7-170.4-173.8179.3-166.20110.3W160 D162 S164 H169 V170 L171W160-K167 HydrophobicContact CB-CB 3.84Å; W160-K167 HydrophobicContact CB-CD 4.43Å; W160-K167 HydrophobicContact CB-CG 4.23Å; W160-K167 HydrophobicContact CG-CB 4.3Å; D162-K167 IonicContact OD1-NZ 3.54Å; D162-K167 PolarHBondContact OD1-NZ 2.89Å; S164-K167 WeakPolarHBondContact O-CB 3.46Å; S164-K167 PolarHBondContact O-N 3.41Å; K167-H169 PolarHBondContact O-N 3.25Å; K167-V170 PolarHBondContact O-N 2.96Å; K167-L171 HydrophobicContact CG-CD1 4.18Å; K167-L171 WeakPolarHBondContact O-CG 3.46Å; K167-L171 PolarHBondContact O-N 3.1Å
168R91.9Very high91.9Very high104 Ų10479.6 Ų79.639%0.39238%0.381SS..Hα-helixtrans-57-46.9176.6-169.717967.4-1742.6112S164 I166 V170 L171 E172 L182S164-R168 PolarHBondContact O-N 2.99Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 3.19Å; R168-V170 VanDerWaalsContact C-N 3.34Å; R168-V170 PolarHBondContact O-N 2.78Å; R168-L171 PolarHBondContact O-N 2.63Å; R168-E172 HydrophobicContact CG-CG 4.47Å; R168-E172 WeakPolarHBondContact CG-OE1 3.29Å; R168-E172 IonicContact NE-OE1 2.72Å; R168-E172 WeakPolarHBondContact O-CB 3.36Å; R168-E172 VanDerWaalsContact O-CG 3.25Å; R168-E172 WeakPolarHBondContact O-CG 3.13Å; R168-E172 PolarHBondContact O-N 3.26Å; R168-L182 HydrophobicContact CG-CD1 4.23Å
169H92.9Very high91.3Very high123 Ų12383.6 Ų83.657%0.56940%0.402SS*.Hα-helixtrans-62.6-39178.5-17756.1000113K165 I166 K167 Y173K165-H169 WeakPolarHBondContact O-CB 3.48Å; K165-H169 PolarHBondContact O-N 3.39Å; I166-H169 PolarHBondContact O-N 3.21Å; K167-H169 PolarHBondContact O-N 3.25Å; H169-Y173 WeakPolarHBondContact O-CB 3.39Å; H169-Y173 PolarHBondContact O-N 3.35Å
170V92.8Very high90.7Very high62 Ų6289 Ų8938%0.37642%0.422SS..Hα-helixtrans-66.9-43.1176.81730000111.3I166 K167 R168 Y173 N174I166-V170 WeakPolarHBondContact O-CG2 3.36Å; I166-V170 PolarHBondContact O-N 2.84Å; K167-V170 PolarHBondContact O-N 2.96Å; R168-V170 VanDerWaalsContact C-N 3.34Å; R168-V170 PolarHBondContact O-N 2.78Å; V170-Y173 PolarHBondContact O-N 2.91Å; V170-N174 PolarHBondContact O-N 3.29Å; V170-N174 VanDerWaalsContact O-N 3.1Å
171L92.6Very high89.7Confident40 Ų4093.1 Ų93.121%0.20945%0.446CS..Hα-helixtrans-65.7-40.5176.6-69.8171.4000112.2K167 R168 Y173 N174 E175 E176 R177K167-L171 HydrophobicContact CG-CD1 4.18Å; K167-L171 WeakPolarHBondContact O-CG 3.46Å; K167-L171 PolarHBondContact O-N 3.1Å; R168-L171 PolarHBondContact O-N 2.63Å; L171-Y173 VanDerWaalsContact C-N 3.35Å; L171-N174 PolarHBondContact O-N 3.37Å; L171-E175 PolarHBondContact O-N 2.68Å; L171-E175 VanDerWaalsContact O-N 3.1Å; L171-E176 HydrophobicContact CD2-CB 4.22Å; L171-E176 PolarHBondContact O-N 2.72Å; L171-R177 HydrophobicContact CB-CB 4.23Å; L171-R177 PolarHBondContact O-N 3.4Å
172E92.8Very high88.2Confident74 Ų7494 Ų9435%0.34645%0.45SS..Hα-helixtrans-60.5-43.6173.2-74.7167.8-176.200111.7R168 N174 E175 R177R168-E172 HydrophobicContact CG-CG 4.47Å; R168-E172 WeakPolarHBondContact CG-OE1 3.29Å; R168-E172 IonicContact NE-OE1 2.72Å; R168-E172 WeakPolarHBondContact O-CB 3.36Å; R168-E172 VanDerWaalsContact O-CG 3.25Å; R168-E172 WeakPolarHBondContact O-CG 3.13Å; R168-E172 PolarHBondContact O-N 3.26Å; E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 2.94Å; E172-E175 PolarHBondContact O-N 3.16Å; E172-E175 VanDerWaalsContact O-N 3.15Å; E172-R177 HydrophobicContact CG-CB 4.3Å; E172-R177 VanDerWaalsContact CG-CD 3.43Å; E172-R177 HydrophobicContact CG-CG 4.45Å; E172-R177 IonicContact OE1-CZ 3.68Å; E172-R177 IonicContact OE1-NE 2.68Å; E172-R177 IonicContact OE1-NH1 3.09Å; E172-R177 PolarHBondContact OE1-NH1 3.4Å
173Y93.8Very high86.5Confident188 Ų188100.6 Ų100.674%0.73748%0.478SS*.Hα-helixtrans-63.4-34.1178.2179.2-96.5000112.6H169 V170 L171 E175H169-Y173 WeakPolarHBondContact O-CB 3.39Å; H169-Y173 PolarHBondContact O-N 3.35Å; V170-Y173 PolarHBondContact O-N 2.91Å; L171-Y173 VanDerWaalsContact C-N 3.35Å; Y173-E175 VanDerWaalsContact C-N 3.34Å
174N93.7Very high84.6Confident81 Ų81102.4 Ų102.443%0.43350%0.499SS..THydrogen-bonded Turntrans-84.7-3.6176.8-69.6-7.1000113.8V170 L171 E172 E176V170-N174 PolarHBondContact O-N 3.29Å; V170-N174 VanDerWaalsContact O-N 3.1Å; L171-N174 PolarHBondContact O-N 3.37Å; E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 2.94Å; N174-E176 HydrophobicContact CB-CB 4.33Å; N174-E176 HydrophobicContact CB-CG 4.04Å; N174-E176 PolarHBondContact O-N 2.6Å
175E91.6Very high84.3Confident186 Ų186107.4 Ų107.487%0.86952%0.523SS*.THydrogen-bonded Turntrans60.724.8-172.6-53.3179.6169.800113.9L171 E172 Y173L171-E175 PolarHBondContact O-N 2.68Å; L171-E175 VanDerWaalsContact O-N 3.1Å; E172-E175 PolarHBondContact O-N 3.16Å; E172-E175 VanDerWaalsContact O-N 3.15Å; Y173-E175 VanDerWaalsContact C-N 3.34Å
176E90.8Very high83.9Confident130 Ų130105.3 Ų105.361%0.60752%0.517SS*.  trans-106.512.9-177.5-68.5175.2157.700112.6L171 N174 D178L171-E176 HydrophobicContact CD2-CB 4.22Å; L171-E176 PolarHBondContact O-N 2.72Å; N174-E176 HydrophobicContact CB-CB 4.33Å; N174-E176 HydrophobicContact CB-CG 4.04Å; N174-E176 PolarHBondContact O-N 2.6Å; E176-D178 PolarHBondContact O-N 3.39Å; E176-D178 VanDerWaalsContact O-N 3.15Å
177R83.9Confident83.4Confident103 Ų103109.3 Ų109.339%0.38954%0.537SS..  trans-72.5110.4-177.9177.7173.7163.8-162.5-14.8110.3L171 E172 D179L171-R177 HydrophobicContact CB-CB 4.23Å; L171-R177 PolarHBondContact O-N 3.4Å; E172-R177 HydrophobicContact CG-CB 4.3Å; E172-R177 VanDerWaalsContact CG-CD 3.43Å; E172-R177 HydrophobicContact CG-CG 4.45Å; E172-R177 IonicContact OE1-CZ 3.68Å; E172-R177 IonicContact OE1-NE 2.68Å; E172-R177 IonicContact OE1-NH1 3.09Å; E172-R177 PolarHBondContact OE1-NH1 3.4Å; R177-D179 IonicContact CZ-OD1 3.37Å; R177-D179 IonicContact NE-OD1 3.15Å; R177-D179 PolarHBondContact NE-OD1 2.94Å; R177-D179 IonicContact NH2-OD1 2.76Å; R177-D179 PolarHBondContact NH2-OD1 2.76Å; R177-D179 IonicContact NH2-OD2 3.47Å
178D85.9Confident82.9Confident90 Ų90112.8 Ų112.848%0.48156%0.555SS.*  trans-94.9123162.6-164-21.7000109.5E176 F180E176-D178 PolarHBondContact O-N 3.39Å; E176-D178 VanDerWaalsContact O-N 3.15Å; D178-F180 VanDerWaalsContact C-N 3.26Å; D178-F180 PolarHBondContact O-N 3.15Å; D178-F180 WeakPolarHBondContact OD1-CB 3.49Å; D178-F180 PolarHBondContact OD1-N 3.46Å
179D82.8Confident82.3Confident95 Ų95113.3 Ų113.351%0.50857%0.565SS.*SBendtrans-75.5-15.2179.2-78.9-24.4000112.8R177R177-D179 IonicContact CZ-OD1 3.37Å; R177-D179 IonicContact NE-OD1 3.15Å; R177-D179 PolarHBondContact NE-OD1 2.94Å; R177-D179 IonicContact NH2-OD1 2.76Å; R177-D179 PolarHBondContact NH2-OD1 2.76Å; R177-D179 IonicContact NH2-OD2 3.47Å
180F83.6Confident81.6Confident171 Ų171112.7 Ų112.775%0.7557%0.565SS**SBendtrans-70.3-37.7178.2-174.7-101.8000112.9D178 L182D178-F180 VanDerWaalsContact C-N 3.26Å; D178-F180 PolarHBondContact O-N 3.15Å; D178-F180 WeakPolarHBondContact OD1-CB 3.49Å; D178-F180 PolarHBondContact OD1-N 3.46Å; F180-L182 PolarHBondContact O-N 2.68Å
181D74.6Confident80.8Confident111 Ų111116.3 Ų116.359%0.59458%0.579SS**THydrogen-bonded Turntrans-81.4-9.3-169.3-74.9-19.8000114.6
182L62.5Low79.9Confident39 Ų39122.2 Ų122.220%0.20461%0.607CS.*THydrogen-bonded Turntrans-104.6-4.8-170.6-65.3175000114.6D162 R168 F180D162-L182 WeakPolarHBondContact O-CD2 3.49Å; R168-L182 HydrophobicContact CG-CD1 4.23Å; F180-L182 PolarHBondContact O-N 2.68Å
183E54.6Low78.8Confident187 Ų187126.2 Ų126.287%0.87463%0.629SS**  trans-91.67.7179-65.1-165159.500114.2
184A48.5Very low77.5Confident133 Ų133120.5 Ų120.5100%1.09962%0.619SS**  trans-102.30172.200000112.2

Retrieved 184 of 184 residues in 104.3 ms (Link to these results)

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