A0A096N1W8_PAPAN Loading...

[histone H3]-trimethyl-L-lysine(9) demethylase

AlphaFold DB , UniProt , Accession A0A096N1W8, Species PAPAN (Papio anubis, Olive baboon), Gene KDM4D, Length 523 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
1M34Very low39.2Very low244 Ų244152.5 Ų152.5100%1.20279%0.793SS**  0102.70-88.8172.3167.600107.7T3M1-T3 PolarHBondContact O-N 3.47Å
2E32.3Very low42.7Very low192 Ų192147 Ų14790%0.89776%0.76SS**  trans-73.5121.4171.8-68.1169.6118.300108.6M4E2-M4 PolarHBondContact O-N 3.12Å; E2-M4 VanDerWaalsContact O-N 3.12Å
3T33.8Very low46.5Very low132 Ų132137.2 Ų137.281%0.8171%0.71SS**  trans-70.9106170.2340000108.5M1 K5M1-T3 PolarHBondContact O-N 3.47Å; T3-K5 PolarHBondContact O-N 2.89Å
4M33.5Very low49.8Very low186 Ų186133.5 Ų133.592%0.91670%0.699SS**  trans-55105.2172.8-76.3-173.2172.200109.5E2 S6E2-M4 PolarHBondContact O-N 3.12Å; E2-M4 VanDerWaalsContact O-N 3.12Å; M4-S6 PolarHBondContact O-N 3.09Å; M4-S6 VanDerWaalsContact O-N 3.09Å
5K33.2Very low52.8Low201 Ų201132.7 Ų132.787%0.87470%0.695SS**  trans-57.5115.6160.7-72.3-179.4176.71790106.6T3 K7T3-K5 PolarHBondContact O-N 2.89Å; K5-K7 PolarHBondContact O-N 2.93Å
6S35.6Very low55.5Low111 Ų111124.9 Ų124.978%0.77666%0.655SS**  trans-51.6133.5174.244.20000109M4 A8M4-S6 PolarHBondContact O-N 3.09Å; M4-S6 VanDerWaalsContact O-N 3.09Å; S6-A8 PolarHBondContact O-N 3.36Å
7K35.3Very low58Low211 Ų211122.1 Ų122.192%0.91764%0.641SS**  trans-55.6111176.7-75.8177.7174.7176.80108.4K5K5-K7 PolarHBondContact O-N 2.93Å
8A39.6Very low60.2Low66 Ų66116.7 Ų116.755%0.54561%0.613SS.*  trans-57.1147.5173.900000109.7S6 Y10S6-A8 PolarHBondContact O-N 3.36Å; A8-Y10 HydrophobicContact CB-CD2 3.71Å; A8-Y10 HydrophobicContact CB-CE2 3.71Å; A8-Y10 PolarHBondContact O-N 2.79Å
9N41.5Very low62.3Low130 Ų130113.3 Ų113.370%0.69559%0.594SS**  trans-77.940.7-164-150.25.8000113.7G11N9-G11 VanDerWaalsContact C-N 3.34Å; N9-G11 PolarHBondContact O-N 3.24Å
10Y48.3Very low64.1Low161 Ų161112 Ų11263%0.63159%0.586SS**THydrogen-bonded Turntrans-68.185.5173-72-84.1000109.9A8A8-Y10 HydrophobicContact CB-CD2 3.71Å; A8-Y10 HydrophobicContact CB-CE2 3.71Å; A8-Y10 PolarHBondContact O-N 2.79Å
11G63.6Low65.7Low44 Ų44107.3 Ų107.345%0.45456%0.561SS.*THydrogen-bonded Turntrans-172.2-16.7-179.800000118.4N9N9-G11 VanDerWaalsContact C-N 3.34Å; N9-G11 PolarHBondContact O-N 3.24Å
12Q81.8Confident68.8Low86 Ų86102 Ų10240%0.40253%0.533SS..SBendtrans-79.8139.1-177.8-58.8-56.3-21.900112.5R45Q12-R45 PolarHBondContact O-NH1 3.15Å; Q12-R45 VanDerWaalsContact O-NH1 3.14Å
13N92.5Very high72Confident20 Ų2093.2 Ų93.211%0.10749%0.493CS..SBendtrans43.559.2-175.3-165.111.7000114.6N15 C16 N17 M19 G42 R45N13-N15 PolarHBondContact O-N 3.46Å; N13-N15 VanDerWaalsContact O-N 3.1Å; N13-C16 PolarHBondContact O-N 3.36Å; N13-C16 PolarHBondContact OD1-N 3.39Å; N13-N17 PolarHBondContact ND2-N 3.07Å; N13-N17 PolarHBondContact ND2-O 2.86Å; N13-N17 PolarHBondContact OD1-N 3.29Å; N13-M19 HydrophobicContact CB-SD 4.17Å; N13-G42 VanDerWaalsContact CB-O 3.3Å; N13-G42 WeakPolarHBondContact CB-O 3.25Å; N13-G42 PolarHBondContact ND2-O 2.77Å; N13-R45 PolarHBondContact O-NH1 3.32Å
14P92.5Very high75Confident85 Ų8590 Ų9055%0.55247%0.473SS*.THydrogen-bonded Turntrans-57.9-29.9-172.623.7-33.7000114.1R45P14-R45 VanDerWaalsContact CA-NH1 3.34Å; P14-R45 PolarHBondContact O-NH2 3.31Å
15N94.3Very high78Confident121 Ų12187 Ų8765%0.64746%0.455SS*.THydrogen-bonded Turntrans-94.66.1-177.7-61.3-28.3000113.7N13 N17N13-N15 PolarHBondContact O-N 3.46Å; N13-N15 VanDerWaalsContact O-N 3.1Å; N15-N17 PolarHBondContact O-N 2.94Å
16C96.2Very high81Confident8 Ų883.6 Ų83.65%0.05444%0.442CS..  trans55.134.8178-45.40000113.9N13 R45 A46 P216 E218 N262N13-C16 PolarHBondContact O-N 3.36Å; N13-C16 PolarHBondContact OD1-N 3.39Å; C16-R45 HydrophobicContact CB-CB 4.36Å; C16-R45 PolarHBondContact SG-NH2 3.38Å; C16-A46 VanDerWaalsContact O-CA 3.27Å; C16-A46 WeakPolarHBondContact O-CA 3.36Å; C16-A46 VanDerWaalsContact O-CB 3.24Å; C16-A46 WeakPolarHBondContact O-CB 3.44Å; C16-P216 HydrophobicContact CB-CB 4.03Å; C16-P216 HydrophobicContact CB-CG 3.67Å; C16-E218 PolarHBondContact SG-OE2 2.94Å; C16-N262 PolarHBondContact O-OD1 3.18Å
17N97.9Very high83.9Confident77 Ų7782.2 Ų82.241%0.41242%0.424SS..PPolyproline II helixtrans-74.6142.9-179-74.5-41.3000111.1N13 N15 M19 A46 N262N13-N17 PolarHBondContact ND2-N 3.07Å; N13-N17 PolarHBondContact ND2-O 2.86Å; N13-N17 PolarHBondContact OD1-N 3.29Å; N15-N17 PolarHBondContact O-N 2.94Å; N17-M19 PolarHBondContact O-N 3.27Å; N17-A46 WeakPolarHBondContact O-CB 3.48Å; N17-N262 PolarHBondContact OD1-ND2 3Å; N17-N262 VanDerWaalsContact OD1-ND2 3.15Å
18I98.6Very high86.9Confident26 Ų2672.3 Ų72.313%0.13338%0.38CS..PPolyproline II helixtrans-57.6125.7169.9-61.1166.9000108.7A46 L48 V214 N262 I264I18-A46 HydrophobicContact CG1-CB 4.33Å; I18-L48 HydrophobicContact CD1-CD2 4.18Å; I18-V214 HydrophobicContact CD1-CG1 3.8Å; I18-V214 HydrophobicContact CG1-CG1 3.82Å; I18-N262 HydrophobicContact CD1-CB 3.58Å; I18-N262 HydrophobicContact CG1-CB 3.69Å; I18-I264 HydrophobicContact CD1-CB 3.87Å; I18-I264 HydrophobicContact CD1-CG2 3.8Å; I18-I264 HydrophobicContact CG2-CB 4.36Å; I18-I264 HydrophobicContact CG2-CD1 3.68Å; I18-I264 HydrophobicContact CG2-CG2 4.25Å
19M98.6Very high89.5Confident51 Ų5173.5 Ų73.525%0.25138%0.378SS..EExtended strand (participates in β ladder)trans-98.2149.1178.5-62.8-178.370.200110.6N13 N17 F21 Q41 A43 K50N13-M19 HydrophobicContact CB-SD 4.17Å; N17-M19 PolarHBondContact O-N 3.27Å; M19-F21 HydrophobicContact CB-CD2 4.31Å; M19-F21 HydrophobicContact CB-CE2 3.52Å; M19-F21 HydrophobicContact CB-CZ 3.94Å; M19-F21 HydrophobicContact CE-CE1 4.42Å; M19-F21 HydrophobicContact CE-CZ 3.86Å; M19-F21 HydrophobicContact SD-CZ 4.24Å; M19-Q41 HydrophobicContact CE-CB 3.87Å; M19-Q41 VanDerWaalsContact SD-O 3.37Å; M19-A43 HydrophobicContact CB-CB 4.4Å; M19-A43 HydrophobicContact SD-CB 4.08Å; M19-K50 PolarHBondContact O-N 2.92Å
20I98.8Very high92Very high87 Ų8770.5 Ų70.545%0.44636%0.362SS..EExtended strand (participates in β ladder)trans-119.5121.5177.6-51.3179.4000108.4K50 V52 I264I20-K50 WeakPolarHBondContact CA-O 3.39Å; I20-K50 HydrophobicContact CD1-CD 4.37Å; I20-K50 HydrophobicContact CG1-CB 4.22Å; I20-K50 HydrophobicContact CG1-CD 4.33Å; I20-K50 HydrophobicContact CG2-CB 4.27Å; I20-K50 HydrophobicContact CG2-CD 3.83Å; I20-K50 HydrophobicContact CG2-CG 4.15Å; I20-V52 HydrophobicContact CG2-CG2 4.1Å; I20-I264 HydrophobicContact CD1-CD1 4Å; I20-I264 HydrophobicContact CG1-CD1 4Å
21F98.8Very high94.2Very high15 Ų1563.4 Ų63.47%0.06633%0.334CS..EExtended strand (participates in β ladder)trans-108.7145.3-177.9-66.3-88.3000111.5M19 Y34 Y37 M38 Q41 A43 A49 K50 I51 V52M19-F21 HydrophobicContact CB-CD2 4.31Å; M19-F21 HydrophobicContact CB-CE2 3.52Å; M19-F21 HydrophobicContact CB-CZ 3.94Å; M19-F21 HydrophobicContact CE-CE1 4.42Å; M19-F21 HydrophobicContact CE-CZ 3.86Å; M19-F21 HydrophobicContact SD-CZ 4.24Å; F21-Y34 HydrophobicContact CB-CE1 4.03Å; F21-Y34 HydrophobicContact CG-CE1 4.44Å; F21-Y37 HydrophobicContact CD1-CE1 4.07Å; F21-Y37 HydrophobicContact CE1-CE1 4.13Å; F21-M38 HydrophobicContact CB-SD 4.35Å; F21-M38 HydrophobicContact CD1-CG 3.92Å; F21-M38 HydrophobicContact CD2-CG 3.69Å; F21-M38 HydrophobicContact CD2-SD 3.44Å; F21-M38 WeakPolarHBondContact CD2-SD 3.46Å; F21-M38 HydrophobicContact CE1-CB 4.38Å; F21-M38 HydrophobicContact CE1-CG 3.87Å; F21-M38 HydrophobicContact CE2-CB 3.98Å; F21-M38 HydrophobicContact CE2-CG 3.63Å; F21-M38 HydrophobicContact CE2-SD 3.79Å; F21-M38 HydrophobicContact CG-CG 3.83Å; F21-M38 HydrophobicContact CG-SD 3.87Å; F21-M38 HydrophobicContact CZ-CB 3.91Å; F21-M38 HydrophobicContact CZ-CG 3.73Å; F21-M38 HydrophobicContact CZ-SD 4.49Å; F21-Q41 HydrophobicContact CE1-CB 4.27Å; F21-Q41 HydrophobicContact CE1-CG 4.22Å; F21-Q41 HydrophobicContact CZ-CB 4.21Å; F21-A43 HydrophobicContact CE2-CB 3.69Å; F21-A43 HydrophobicContact CZ-CB 3.88Å; F21-A49 HydrophobicContact CD2-CB 4.44Å; F21-A49 HydrophobicContact CE2-CB 4.26Å; F21-K50 PolarHBondContact N-O 3.29Å; F21-I51 HydrophobicContact CB-CG1 4.4Å; F21-I51 HydrophobicContact CB-CG2 4.41Å; F21-V52 PolarHBondContact O-N 3.32Å
22H98.6Very high95.5Very high131 Ų13163.1 Ų63.161%0.60632%0.322SS*.  trans-131.173.6179.9-6284.3000108.8
23P98.3Very high96.1Very high8 Ų865.8 Ų65.85%0.05233%0.332CS..  trans-55.9145.6-179.217.2-30.1000112.9E27 F28 Y34 I51 V52P23-E27 WeakPolarHBondContact CA-OE2 3.14Å; P23-E27 HydrophobicContact CB-CB 4.07Å; P23-F28 HydrophobicContact CB-CB 4.15Å; P23-F28 HydrophobicContact CB-CD2 4Å; P23-F28 HydrophobicContact CG-CB 4.45Å; P23-F28 HydrophobicContact CG-CD2 3.47Å; P23-F28 VanDerWaalsContact CG-CD2 3.47Å; P23-F28 HydrophobicContact CG-CE2 4.1Å; P23-F28 HydrophobicContact CG-CG 4.31Å; P23-Y34 WeakPolarHBondContact CA-OH 3.36Å; P23-Y34 HydrophobicContact CB-CD2 4.38Å; P23-Y34 HydrophobicContact CB-CE1 4.16Å; P23-Y34 HydrophobicContact CB-CE2 3.71Å; P23-Y34 WeakPolarHBondContact CD-OH 3.18Å; P23-Y34 HydrophobicContact CG-CE1 4.2Å; P23-I51 HydrophobicContact CG-CG2 3.68Å; P23-V52 WeakPolarHBondContact CD-O 3.49Å
24T97.9Very high96.3Very high66 Ų6665.3 Ų65.341%0.40533%0.329SS..  trans-69.7166.2160.587.80000110.4E26 E27 F28T24-E26 VanDerWaalsContact CB-OE2 3.29Å; T24-E26 WeakPolarHBondContact CB-OE2 3.48Å; T24-E26 PolarHBondContact O-N 3.14Å; T24-E26 PolarHBondContact OG1-N 2.86Å; T24-E26 PolarHBondContact OG1-OE2 3.31Å; T24-E27 HydrophobicContact CG2-CG 4.4Å; T24-E27 PolarHBondContact N-OE2 2.68Å; T24-E27 PolarHBondContact O-N 3.15Å; T24-E27 PolarHBondContact OG1-N 3.43Å; T24-F28 WeakPolarHBondContact O-CB 3.42Å; T24-F28 PolarHBondContact O-N 2.88Å
25K95.9Very high96.5Very high121 Ų12161.4 Ų61.453%0.52630%0.304SS..THydrogen-bonded Turntrans-58.2-34.1175.5-175.5-179.5179.5-179.20112.4N29 P54K25-N29 VanDerWaalsContact O-CG 3.3Å; K25-N29 PolarHBondContact O-ND2 3.46Å; K25-N29 VanDerWaalsContact O-ND2 3.12Å; K25-N29 PolarHBondContact O-OD1 2.82Å; K25-P54 HydrophobicContact CB-CG 4.48Å
26E96.4Very high96.5Very high130 Ų13056.6 Ų56.661%0.60728%0.281SS*.THydrogen-bonded Turntrans-71.1-45.4179.8-60.264.3-135.600110.8T24 F28 N29T24-E26 VanDerWaalsContact CB-OE2 3.29Å; T24-E26 WeakPolarHBondContact CB-OE2 3.48Å; T24-E26 PolarHBondContact O-N 3.14Å; T24-E26 PolarHBondContact OG1-N 2.86Å; T24-E26 PolarHBondContact OG1-OE2 3.31Å; E26-F28 VanDerWaalsContact C-N 3.32Å; E26-N29 WeakPolarHBondContact CA-ND2 3.43Å; E26-N29 PolarHBondContact O-N 3.5Å; E26-N29 PolarHBondContact O-ND2 3.3Å
27E97.1Very high96.6Very high83 Ų8360.7 Ų60.739%0.38830%0.296SS..G310 helixtrans-65-35.6175.3-64.5-179.8146.400112.2P23 T24 N29 Y34P23-E27 WeakPolarHBondContact CA-OE2 3.14Å; P23-E27 HydrophobicContact CB-CB 4.07Å; T24-E27 HydrophobicContact CG2-CG 4.4Å; T24-E27 PolarHBondContact N-OE2 2.68Å; T24-E27 PolarHBondContact O-N 3.15Å; T24-E27 PolarHBondContact OG1-N 3.43Å; E27-N29 PolarHBondContact O-N 3.42Å; E27-Y34 HydrophobicContact CB-CD2 3.89Å; E27-Y34 HydrophobicContact CB-CE2 3.76Å; E27-Y34 HydrophobicContact CG-CE2 4.44Å
28F97.1Very high96.6Very high2 Ų257 Ų571%0.00928%0.276CS..G310 helixtrans-72.9-7.4-179.6-154.6-117000114.1P23 T24 E26 I51 P53 P54 W57 Q151 W152 F271P23-F28 HydrophobicContact CB-CB 4.15Å; P23-F28 HydrophobicContact CB-CD2 4Å; P23-F28 HydrophobicContact CG-CB 4.45Å; P23-F28 HydrophobicContact CG-CD2 3.47Å; P23-F28 VanDerWaalsContact CG-CD2 3.47Å; P23-F28 HydrophobicContact CG-CE2 4.1Å; P23-F28 HydrophobicContact CG-CG 4.31Å; T24-F28 WeakPolarHBondContact O-CB 3.42Å; T24-F28 PolarHBondContact O-N 2.88Å; E26-F28 VanDerWaalsContact C-N 3.32Å; F28-I51 HydrophobicContact CE2-CG2 4.4Å; F28-P53 HydrophobicContact CE1-CB 4.07Å; F28-P53 HydrophobicContact CE2-CB 4.2Å; F28-P53 HydrophobicContact CZ-CB 3.78Å; F28-P54 HydrophobicContact CB-CG 3.95Å; F28-P54 HydrophobicContact CD1-CG 4.33Å; F28-P54 HydrophobicContact CG-CG 4.16Å; F28-W57 HydrophobicContact CD1-CG 4.23Å; F28-W57 AromaticContact CE1-CD1 3.84Å; F28-W57 AromaticContact CE1-CD2 3.8Å; F28-W57 HydrophobicContact CE1-CD2 3.8Å; F28-W57 AromaticContact CE1-CE2 3.73Å; F28-W57 HydrophobicContact CE1-CE3 4.44Å; F28-W57 AromaticContact CE1-CG 3.89Å; F28-W57 HydrophobicContact CE1-CG 3.89Å; F28-W57 HydrophobicContact CE1-CZ2 4.29Å; F28-W57 AromaticContact CE1-NE1 3.73Å; F28-Q151 HydrophobicContact CD1-CB 3.73Å; F28-Q151 HydrophobicContact CD1-CG 4.28Å; F28-Q151 HydrophobicContact CE1-CB 4Å; F28-Q151 WeakPolarHBondContact O-CB 3.5Å; F28-W152 HydrophobicContact CD1-CG 4.43Å; F28-W152 AromaticContact CD2-CD1 3.88Å; F28-W152 HydrophobicContact CD2-CD2 4.03Å; F28-W152 AromaticContact CD2-CE2 3.58Å; F28-W152 HydrophobicContact CD2-CG 4.22Å; F28-W152 AromaticContact CD2-CZ2 4Å; F28-W152 HydrophobicContact CD2-CZ2 4Å; F28-W152 AromaticContact CD2-NE1 3.5Å; F28-W152 HydrophobicContact CE1-CB 3.95Å; F28-W152 AromaticContact CE1-CD1 3.85Å; F28-W152 HydrophobicContact CE1-CD2 4.39Å; F28-W152 AromaticContact CE1-CG 3.81Å; F28-W152 HydrophobicContact CE1-CG 3.81Å; F28-W152 HydrophobicContact CE2-CB 4.4Å; F28-W152 AromaticContact CE2-CD1 3.73Å; F28-W152 AromaticContact CE2-CD2 3.29Å; F28-W152 HydrophobicContact CE2-CD2 3.29Å; F28-W152 AromaticContact CE2-CE2 3.32Å; F28-W152 AromaticContact CE2-CE3 3.75Å; F28-W152 HydrophobicContact CE2-CE3 3.75Å; F28-W152 AromaticContact CE2-CG 3.6Å; F28-W152 HydrophobicContact CE2-CG 3.6Å; F28-W152 HydrophobicContact CE2-CH2 4.26Å; F28-W152 AromaticContact CE2-CZ2 3.81Å; F28-W152 HydrophobicContact CE2-CZ2 3.81Å; F28-W152 HydrophobicContact CE2-CZ3 4.22Å; F28-W152 AromaticContact CE2-NE1 3.59Å; F28-W152 AromaticContact CG-NE1 3.93Å; F28-W152 HydrophobicContact CZ-CB 3.67Å; F28-W152 AromaticContact CZ-CD1 3.7Å; F28-W152 AromaticContact CZ-CD2 3.5Å; F28-W152 HydrophobicContact CZ-CD2 3.5Å; F28-W152 AromaticContact CZ-CE2 3.97Å; F28-W152 AromaticContact CZ-CE3 3.99Å; F28-W152 HydrophobicContact CZ-CE3 3.99Å; F28-W152 AromaticContact CZ-CG 3.35Å; F28-W152 HydrophobicContact CZ-CG 3.35Å; F28-W152 PolarHBondContact O-NE1 3.34Å; F28-W152 VanDerWaalsContact O-NE1 3.12Å; F28-F271 HydrophobicContact CE2-CE2 4.46Å; F28-F271 HydrophobicContact CZ-CD2 4.29Å; F28-F271 AromaticContact CZ-CE2 3.66Å; F28-F271 HydrophobicContact CZ-CE2 3.66Å; F28-F271 HydrophobicContact CZ-CZ 4.19Å
29N94.6Very high96.5Very high91 Ų9156 Ų5649%0.48727%0.271SS..G310 helixtrans-74.1-27.1179-68.4-45.7000114K25 E26 E27 Q151K25-N29 VanDerWaalsContact O-CG 3.3Å; K25-N29 PolarHBondContact O-ND2 3.46Å; K25-N29 VanDerWaalsContact O-ND2 3.12Å; K25-N29 PolarHBondContact O-OD1 2.82Å; E26-N29 WeakPolarHBondContact CA-ND2 3.43Å; E26-N29 PolarHBondContact O-N 3.5Å; E26-N29 PolarHBondContact O-ND2 3.3Å; E27-N29 PolarHBondContact O-N 3.42Å; N29-Q151 WeakPolarHBondContact OD1-CG 3.37Å; N29-Q151 PolarHBondContact OD1-NE2 3.11Å
30D93.8Very high96.3Very high68 Ų6855.1 Ų55.136%0.36427%0.27SS..  trans-119.6101.6-174-173.4-24.4000110.1D32 K33 Y34D30-D32 PolarHBondContact OD1-N 3.49Å; D30-K33 HydrophobicContact CB-CB 3.87Å; D30-K33 HydrophobicContact CB-CD 4.35Å; D30-K33 VanDerWaalsContact OD1-CB 3.31Å; D30-K33 WeakPolarHBondContact OD1-CB 3.43Å; D30-K33 PolarHBondContact OD1-N 2.75Å; D30-K33 WeakPolarHBondContact OD2-CB 3.35Å; D30-Y34 WeakPolarHBondContact O-CB 3.48Å; D30-Y34 PolarHBondContact O-N 3.41Å
31F94.3Very high96.2Very high11 Ų1154 Ų545%0.04826%0.262CS..Hα-helixtrans-60.8-56.2-178178.8-103.4000112K33 Y34 I35 W152 L157 T159 I201 F295F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 3.31Å; F31-Y34 PolarHBondContact O-N 2.98Å; F31-I35 HydrophobicContact CD1-CG1 4.25Å; F31-I35 HydrophobicContact CD2-CD1 4.44Å; F31-I35 HydrophobicContact CD2-CG1 4.4Å; F31-I35 HydrophobicContact CE1-CD1 4.37Å; F31-I35 HydrophobicContact CE1-CG1 3.83Å; F31-I35 HydrophobicContact CE2-CD1 3.75Å; F31-I35 HydrophobicContact CE2-CG1 4Å; F31-I35 HydrophobicContact CZ-CD1 3.72Å; F31-I35 HydrophobicContact CZ-CG1 3.71Å; F31-I35 WeakPolarHBondContact O-CG1 3.5Å; F31-I35 PolarHBondContact O-N 2.77Å; F31-W152 AromaticContact CD2-CD2 3.64Å; F31-W152 HydrophobicContact CD2-CD2 3.64Å; F31-W152 AromaticContact CD2-CE2 3.69Å; F31-W152 AromaticContact CD2-CE3 3.89Å; F31-W152 HydrophobicContact CD2-CE3 3.89Å; F31-W152 HydrophobicContact CD2-CG 4.14Å; F31-W152 HydrophobicContact CD2-CH2 4.18Å; F31-W152 AromaticContact CD2-CZ2 3.99Å; F31-W152 HydrophobicContact CD2-CZ2 3.99Å; F31-W152 HydrophobicContact CD2-CZ3 4.14Å; F31-W152 HydrophobicContact CE2-CD2 4.19Å; F31-W152 AromaticContact CE2-CE3 3.95Å; F31-W152 HydrophobicContact CE2-CE3 3.95Å; F31-W152 HydrophobicContact CE2-CH2 4.22Å; F31-W152 HydrophobicContact CE2-CZ2 4.48Å; F31-W152 AromaticContact CE2-CZ3 3.95Å; F31-W152 HydrophobicContact CE2-CZ3 3.95Å; F31-L157 HydrophobicContact CD1-CD2 4.45Å; F31-L157 HydrophobicContact CD2-CD2 4.27Å; F31-L157 HydrophobicContact CE1-CD1 4.41Å; F31-L157 HydrophobicContact CE1-CD2 4.44Å; F31-L157 HydrophobicContact CE2-CD2 4.27Å; F31-L157 HydrophobicContact CG-CD2 4.36Å; F31-L157 HydrophobicContact CZ-CD1 4.42Å; F31-L157 HydrophobicContact CZ-CD2 4.35Å; F31-T159 HydrophobicContact CD1-CG2 3.77Å; F31-T159 HydrophobicContact CE1-CG2 3.71Å; F31-I201 HydrophobicContact CE2-CD1 3.65Å; F31-I201 HydrophobicContact CZ-CD1 4.24Å; F31-F295 HydrophobicContact CE1-CD1 4.41Å; F31-F295 AromaticContact CE1-CD2 3.74Å; F31-F295 HydrophobicContact CE1-CD2 3.74Å; F31-F295 AromaticContact CE1-CE2 3.93Å; F31-F295 HydrophobicContact CE1-CE2 3.93Å; F31-F295 AromaticContact CE1-CG 4Å; F31-F295 HydrophobicContact CE1-CG 4Å; F31-F295 HydrophobicContact CE1-CZ 4.34Å; F31-F295 AromaticContact CZ-CD1 3.96Å; F31-F295 HydrophobicContact CZ-CD1 3.96Å; F31-F295 AromaticContact CZ-CD2 3.98Å; F31-F295 HydrophobicContact CZ-CD2 3.98Å; F31-F295 AromaticContact CZ-CE1 3.86Å; F31-F295 HydrophobicContact CZ-CE1 3.86Å; F31-F295 AromaticContact CZ-CE2 3.89Å; F31-F295 HydrophobicContact CZ-CE2 3.89Å; F31-F295 HydrophobicContact CZ-CG 4.02Å; F31-F295 AromaticContact CZ-CZ 3.81Å; F31-F295 HydrophobicContact CZ-CZ 3.81Å
32D91.8Very high96.1Very high39 Ų3953.2 Ų53.221%0.20926%0.259CS..Hα-helixtrans-54.5-46.5-178-70.4-25.3000111D30 Y34 I35 A36 L358 K362D30-D32 PolarHBondContact OD1-N 3.49Å; D32-Y34 PolarHBondContact O-N 2.75Å; D32-I35 PolarHBondContact O-N 3.16Å; D32-A36 PolarHBondContact O-N 3.11Å; D32-L358 HydrophobicContact CB-CD2 3.97Å; D32-K362 IonicContact OD2-NZ 3.15Å; D32-K362 PolarHBondContact OD2-NZ 3.35Å
33K93.9Very high96.1Very high141 Ų14147 Ų4761%0.61323%0.23SC*.Hα-helixtrans-64.7-38.8178.9-174.4-177.1179.7-174.80112.2D30 F31 A36 Y37D30-K33 HydrophobicContact CB-CB 3.87Å; D30-K33 HydrophobicContact CB-CD 4.35Å; D30-K33 VanDerWaalsContact OD1-CB 3.31Å; D30-K33 WeakPolarHBondContact OD1-CB 3.43Å; D30-K33 PolarHBondContact OD1-N 2.75Å; D30-K33 WeakPolarHBondContact OD2-CB 3.35Å; F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 3.31Å; K33-A36 PolarHBondContact O-N 3.23Å; K33-Y37 PolarHBondContact O-N 3.19Å
34Y97.1Very high96Very high11 Ų1146.8 Ų46.84%0.04323%0.229CC..Hα-helixtrans-73.6-34.8178.8-154.6-97.5000112.6F21 P23 E27 D30 F31 D32 Y37 M38 I51 W152F21-Y34 HydrophobicContact CB-CE1 4.03Å; F21-Y34 HydrophobicContact CG-CE1 4.44Å; P23-Y34 WeakPolarHBondContact CA-OH 3.36Å; P23-Y34 HydrophobicContact CB-CD2 4.38Å; P23-Y34 HydrophobicContact CB-CE1 4.16Å; P23-Y34 HydrophobicContact CB-CE2 3.71Å; P23-Y34 WeakPolarHBondContact CD-OH 3.18Å; P23-Y34 HydrophobicContact CG-CE1 4.2Å; E27-Y34 HydrophobicContact CB-CD2 3.89Å; E27-Y34 HydrophobicContact CB-CE2 3.76Å; E27-Y34 HydrophobicContact CG-CE2 4.44Å; D30-Y34 WeakPolarHBondContact O-CB 3.48Å; D30-Y34 PolarHBondContact O-N 3.41Å; F31-Y34 PolarHBondContact O-N 2.98Å; D32-Y34 PolarHBondContact O-N 2.75Å; Y34-Y37 HydrophobicContact CD2-CD1 4.06Å; Y34-Y37 HydrophobicContact CE1-CD1 4.42Å; Y34-Y37 AromaticContact CE2-CD1 3.66Å; Y34-Y37 HydrophobicContact CE2-CD1 3.66Å; Y34-Y37 HydrophobicContact CE2-CE1 4.02Å; Y34-Y37 AromaticContact CZ-CD1 3.87Å; Y34-Y37 PolarHBondContact O-N 3.03Å; Y34-M38 HydrophobicContact CD1-CE 4.2Å; Y34-M38 HydrophobicContact CD1-CG 4.04Å; Y34-M38 HydrophobicContact CD1-SD 4.16Å; Y34-M38 HydrophobicContact CE1-CG 3.92Å; Y34-M38 HydrophobicContact CE1-SD 4.06Å; Y34-M38 WeakPolarHBondContact O-CG 3.3Å; Y34-M38 PolarHBondContact O-N 2.77Å; Y34-I51 HydrophobicContact CE1-CG2 4.31Å; Y34-W152 AromaticContact CD1-CH2 4Å; Y34-W152 HydrophobicContact CD1-CH2 4Å; Y34-W152 AromaticContact CD1-CZ2 3.75Å; Y34-W152 HydrophobicContact CD1-CZ2 3.75Å; Y34-W152 HydrophobicContact CG-CZ2 4.09Å
35I96.3Very high96Very high3 Ų344.6 Ų44.62%0.01521%0.213CC..Hα-helixtrans-58.3-50.6168.8-61.7-51.6000109.9F31 D32 Y37 M38 E39 Y199 V273 F295 T297F31-I35 HydrophobicContact CD1-CG1 4.25Å; F31-I35 HydrophobicContact CD2-CD1 4.44Å; F31-I35 HydrophobicContact CD2-CG1 4.4Å; F31-I35 HydrophobicContact CE1-CD1 4.37Å; F31-I35 HydrophobicContact CE1-CG1 3.83Å; F31-I35 HydrophobicContact CE2-CD1 3.75Å; F31-I35 HydrophobicContact CE2-CG1 4Å; F31-I35 HydrophobicContact CZ-CD1 3.72Å; F31-I35 HydrophobicContact CZ-CG1 3.71Å; F31-I35 WeakPolarHBondContact O-CG1 3.5Å; F31-I35 PolarHBondContact O-N 2.77Å; D32-I35 PolarHBondContact O-N 3.16Å; I35-Y37 VanDerWaalsContact C-N 3.29Å; I35-Y37 PolarHBondContact O-N 3.23Å; I35-M38 HydrophobicContact CD1-CE 3.41Å; I35-M38 VanDerWaalsContact CD1-CE 3.41Å; I35-M38 PolarHBondContact O-N 3.42Å; I35-M38 VanDerWaalsContact O-N 3.13Å; I35-E39 PolarHBondContact O-N 3.2Å; I35-Y199 HydrophobicContact CG2-CE1 4.31Å; I35-V273 HydrophobicContact CD1-CG1 4.45Å; I35-V273 HydrophobicContact CD1-CG2 4.28Å; I35-F295 HydrophobicContact CD1-CE2 4.09Å; I35-F295 HydrophobicContact CD1-CZ 3.72Å; I35-F295 HydrophobicContact CG1-CE2 3.83Å; I35-F295 HydrophobicContact CG1-CZ 4.01Å; I35-F295 HydrophobicContact CG2-CE2 4.07Å; I35-F295 HydrophobicContact CG2-CZ 4.44Å; I35-T297 HydrophobicContact CG2-CG2 4.06Å
36A95.3Very high96.1Very high20 Ų2038.8 Ų38.817%0.16519%0.188CC..Hα-helixtrans-60.5-37.2178.500000112.6D32 K33 E39 S40 P353D32-A36 PolarHBondContact O-N 3.11Å; K33-A36 PolarHBondContact O-N 3.23Å; A36-E39 PolarHBondContact O-N 3.06Å; A36-S40 PolarHBondContact O-N 3.02Å; A36-P353 HydrophobicContact CB-CG 4.47Å
37Y97.3Very high96.2Very high93 Ų9332.6 Ų32.637%0.36516%0.159SC..Hα-helixtrans-61.6-50.2171.3168.5-113.2000112F21 K33 Y34 I35 E39 S40 Q41F21-Y37 HydrophobicContact CD1-CE1 4.07Å; F21-Y37 HydrophobicContact CE1-CE1 4.13Å; K33-Y37 PolarHBondContact O-N 3.19Å; Y34-Y37 HydrophobicContact CD2-CD1 4.06Å; Y34-Y37 HydrophobicContact CE1-CD1 4.42Å; Y34-Y37 AromaticContact CE2-CD1 3.66Å; Y34-Y37 HydrophobicContact CE2-CD1 3.66Å; Y34-Y37 HydrophobicContact CE2-CE1 4.02Å; Y34-Y37 AromaticContact CZ-CD1 3.87Å; Y34-Y37 PolarHBondContact O-N 3.03Å; I35-Y37 VanDerWaalsContact C-N 3.29Å; I35-Y37 PolarHBondContact O-N 3.23Å; Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.02Å; Y37-S40 WeakPolarHBondContact O-CB 3.4Å; Y37-S40 PolarHBondContact O-N 3.29Å; Y37-S40 PolarHBondContact O-OG 3.45Å; Y37-Q41 HydrophobicContact CD2-CG 4.27Å; Y37-Q41 HydrophobicContact CE2-CG 3.76Å; Y37-Q41 WeakPolarHBondContact O-CG 3.47Å; Y37-Q41 PolarHBondContact O-N 2.01Å
38M97.8Very high96.3Very high0 Ų028.7 Ų28.70%014%0.14CC..Hα-helixtrans-58.9-39.3177.5-69.7-169.7-66.500112.3F21 Y34 I35 Q41 G42 A43 I51 W152F21-M38 HydrophobicContact CB-SD 4.35Å; F21-M38 HydrophobicContact CD1-CG 3.92Å; F21-M38 HydrophobicContact CD2-CG 3.69Å; F21-M38 HydrophobicContact CD2-SD 3.44Å; F21-M38 WeakPolarHBondContact CD2-SD 3.46Å; F21-M38 HydrophobicContact CE1-CB 4.38Å; F21-M38 HydrophobicContact CE1-CG 3.87Å; F21-M38 HydrophobicContact CE2-CB 3.98Å; F21-M38 HydrophobicContact CE2-CG 3.63Å; F21-M38 HydrophobicContact CE2-SD 3.79Å; F21-M38 HydrophobicContact CG-CG 3.83Å; F21-M38 HydrophobicContact CG-SD 3.87Å; F21-M38 HydrophobicContact CZ-CB 3.91Å; F21-M38 HydrophobicContact CZ-CG 3.73Å; F21-M38 HydrophobicContact CZ-SD 4.49Å; Y34-M38 HydrophobicContact CD1-CE 4.2Å; Y34-M38 HydrophobicContact CD1-CG 4.04Å; Y34-M38 HydrophobicContact CD1-SD 4.16Å; Y34-M38 HydrophobicContact CE1-CG 3.92Å; Y34-M38 HydrophobicContact CE1-SD 4.06Å; Y34-M38 WeakPolarHBondContact O-CG 3.3Å; Y34-M38 PolarHBondContact O-N 2.77Å; I35-M38 HydrophobicContact CD1-CE 3.41Å; I35-M38 VanDerWaalsContact CD1-CE 3.41Å; I35-M38 PolarHBondContact O-N 3.42Å; I35-M38 VanDerWaalsContact O-N 3.13Å; M38-Q41 PolarHBondContact O-N 3.18Å; M38-G42 PolarHBondContact O-N 2.61Å; M38-A43 HydrophobicContact CB-CB 4.01Å; M38-A43 WeakPolarHBondContact O-CB 3.47Å; M38-A43 PolarHBondContact O-N 3.09Å; M38-A43 VanDerWaalsContact O-N 3.07Å; M38-I51 HydrophobicContact CE-CD1 4.02Å; M38-I51 HydrophobicContact CE-CG1 4.05Å; M38-I51 HydrophobicContact SD-CD1 3.87Å; M38-I51 HydrophobicContact SD-CG1 3.52Å; M38-I51 VanDerWaalsContact SD-CG1 3.52Å; M38-W152 HydrophobicContact CE-CH2 4.42Å
39E96.4Very high96.4Very high6 Ų628.6 Ų28.63%0.02814%0.14CC..Hα-helixtrans-63.9-41.3173.3-66.1-157.8141.800112.1I35 A36 Y37 Q41 G42 H44 Y199 F275 R299 P350I35-E39 PolarHBondContact O-N 3.2Å; A36-E39 PolarHBondContact O-N 3.06Å; Y37-E39 VanDerWaalsContact C-N 3.28Å; Y37-E39 PolarHBondContact O-N 3.02Å; E39-Q41 PolarHBondContact O-N 3.17Å; E39-Q41 VanDerWaalsContact O-N 3.15Å; E39-G42 WeakPolarHBondContact O-CA 3.47Å; E39-G42 PolarHBondContact O-N 2.92Å; E39-H44 WeakPolarHBondContact CA-ND1 3.49Å; E39-H44 HydrophobicContact CG-CB 4.16Å; E39-H44 PolarHBondContact O-CE1 3.1Å; E39-H44 PolarHBondContact O-ND1 3.02Å; E39-Y199 WeakPolarHBondContact OE1-CE1 3.4Å; E39-Y199 PolarHBondContact OE1-OH 3.14Å; E39-F275 HydrophobicContact CG-CD1 4.38Å; E39-F275 HydrophobicContact CG-CE1 3.81Å; E39-R299 WeakPolarHBondContact OE1-CD 3.46Å; E39-R299 IonicContact OE1-NE 2.82Å; E39-R299 PolarHBondContact OE1-NE 2.85Å; E39-R299 WeakPolarHBondContact OE2-CD 3.19Å; E39-P350 HydrophobicContact CB-CB 4.25Å; E39-P350 WeakPolarHBondContact O-CB 3.42Å
40S95.2Very high96.6Very high32 Ų3224.8 Ų24.822%0.22412%0.119CC..Hα-helixtrans-58.7-27.2175.181.40000113.6A36 Y37 G42A36-S40 PolarHBondContact O-N 3.02Å; Y37-S40 WeakPolarHBondContact O-CB 3.4Å; Y37-S40 PolarHBondContact O-N 3.29Å; Y37-S40 PolarHBondContact O-OG 3.45Å; S40-G42 VanDerWaalsContact C-N 3.33Å
41Q96.8Very high96.8Very high62 Ų6221.6 Ų21.629%0.2910%0.102SC..THydrogen-bonded Turntrans-87.11.7175-55-50.8-65.600113.4M19 F21 Y37 M38 E39M19-Q41 HydrophobicContact CE-CB 3.87Å; M19-Q41 VanDerWaalsContact SD-O 3.37Å; F21-Q41 HydrophobicContact CE1-CB 4.27Å; F21-Q41 HydrophobicContact CE1-CG 4.22Å; F21-Q41 HydrophobicContact CZ-CB 4.21Å; Y37-Q41 HydrophobicContact CD2-CG 4.27Å; Y37-Q41 HydrophobicContact CE2-CG 3.76Å; Y37-Q41 WeakPolarHBondContact O-CG 3.47Å; Y37-Q41 PolarHBondContact O-N 2.01Å; M38-Q41 PolarHBondContact O-N 3.18Å; E39-Q41 PolarHBondContact O-N 3.17Å; E39-Q41 VanDerWaalsContact O-N 3.15Å
42G96.5Very high97Very high0 Ų022.9 Ų22.90%011%0.111CC..THydrogen-bonded Turntrans8117179.200000114.9N13 M38 E39 S40 H44 R45N13-G42 VanDerWaalsContact CB-O 3.3Å; N13-G42 WeakPolarHBondContact CB-O 3.25Å; N13-G42 PolarHBondContact ND2-O 2.77Å; M38-G42 PolarHBondContact O-N 2.61Å; E39-G42 WeakPolarHBondContact O-CA 3.47Å; E39-G42 PolarHBondContact O-N 2.92Å; S40-G42 VanDerWaalsContact C-N 3.33Å; G42-H44 VanDerWaalsContact C-N 3.26Å; G42-H44 PolarHBondContact O-N 3.42Å; G42-R45 PolarHBondContact O-N 2.92Å
43A97.9Very high97.4Very high0 Ų021.8 Ų21.80%011%0.106CC..G310 helixtrans-60.8-36.4-179.100000112.7M19 F21 M38 R45 A46 A49 F275M19-A43 HydrophobicContact CB-CB 4.4Å; M19-A43 HydrophobicContact SD-CB 4.08Å; F21-A43 HydrophobicContact CE2-CB 3.69Å; F21-A43 HydrophobicContact CZ-CB 3.88Å; M38-A43 HydrophobicContact CB-CB 4.01Å; M38-A43 WeakPolarHBondContact O-CB 3.47Å; M38-A43 PolarHBondContact O-N 3.09Å; M38-A43 VanDerWaalsContact O-N 3.07Å; A43-R45 PolarHBondContact O-N 2.87Å; A43-R45 VanDerWaalsContact O-N 3.14Å; A43-A46 PolarHBondContact O-N 2.72Å; A43-A46 VanDerWaalsContact O-N 3.17Å; A43-A49 HydrophobicContact CB-CB 4.19Å; A43-F275 HydrophobicContact CB-CE2 4.42Å; A43-F275 HydrophobicContact CB-CZ 4.01Å
44H97.7Very high97.6Very high4 Ų415.8 Ų15.82%0.0198%0.081CC..G310 helixtrans-59.1-27.3-17959.1-82.3000114E39 G42 A46 G47 F275 R299 H347 M348 E349 P350E39-H44 WeakPolarHBondContact CA-ND1 3.49Å; E39-H44 HydrophobicContact CG-CB 4.16Å; E39-H44 PolarHBondContact O-CE1 3.1Å; E39-H44 PolarHBondContact O-ND1 3.02Å; G42-H44 VanDerWaalsContact C-N 3.26Å; G42-H44 PolarHBondContact O-N 3.42Å; H44-A46 PolarHBondContact O-N 2.89Å; H44-G47 PolarHBondContact O-N 2.61Å; H44-F275 VanDerWaalsContact CA-CD1 3.45Å; H44-F275 HydrophobicContact CB-CB 4.3Å; H44-F275 HydrophobicContact CB-CD1 3.34Å; H44-F275 HydrophobicContact CB-CE1 3.73Å; H44-F275 HydrophobicContact CB-CG 3.86Å; H44-F275 HydrophobicContact CB-CZ 4.5Å; H44-R299 PolarHBondContact CD2-NH2 2.83Å; H44-H347 PolarHBondContact CD2-O 2.84Å; H44-H347 VanDerWaalsContact CD2-O 3.23Å; H44-H347 PolarHBondContact NE2-O 2.83Å; H44-M348 WeakPolarHBondContact NE2-CA 3.31Å; H44-M348 PolarHBondContact NE2-O 3.32Å; H44-E349 PolarHBondContact NE2-N 2.97Å; H44-P350 WeakPolarHBondContact CE1-CB 3.28Å; H44-P350 VanDerWaalsContact CE1-CD 3.48Å; H44-P350 WeakPolarHBondContact CE1-CD 3.36Å
45R97.4Very high97.5Very high19 Ų1924.9 Ų24.97%0.07212%0.121CC..G310 helixtrans-65.7-27.8-179.4-65.2-170.158.1-157.2-8.3113.1Q12 N13 P14 C16 G42 A43 G47 P216 P217 E218 M348Q12-R45 PolarHBondContact O-NH1 3.15Å; Q12-R45 VanDerWaalsContact O-NH1 3.14Å; N13-R45 PolarHBondContact O-NH1 3.32Å; P14-R45 VanDerWaalsContact CA-NH1 3.34Å; P14-R45 PolarHBondContact O-NH2 3.31Å; C16-R45 HydrophobicContact CB-CB 4.36Å; C16-R45 PolarHBondContact SG-NH2 3.38Å; G42-R45 PolarHBondContact O-N 2.92Å; A43-R45 PolarHBondContact O-N 2.87Å; A43-R45 VanDerWaalsContact O-N 3.14Å; R45-G47 PolarHBondContact O-N 3.43Å; R45-P216 WeakPolarHBondContact O-CA 3.48Å; R45-P216 VanDerWaalsContact O-CB 3.28Å; R45-P216 WeakPolarHBondContact O-CB 3.43Å; R45-P217 WeakPolarHBondContact O-CD 3.39Å; R45-E218 IonicContact CZ-OE2 3.75Å; R45-E218 IonicContact NE-OE2 3.37Å; R45-E218 PolarHBondContact NE-OE2 3.05Å; R45-E218 IonicContact NH2-OE1 2.95Å; R45-E218 PolarHBondContact NH2-OE1 3.12Å; R45-E218 IonicContact NH2-OE2 3.8Å; R45-E218 PolarHBondContact NH2-OE2 3.12Å; R45-M348 PolarHBondContact NE-SD 3.28Å; R45-M348 VanDerWaalsContact NH2-CE 3.32Å; R45-M348 PolarHBondContact NH2-SD 2.75Å
46A98.3Very high97.4Very high0 Ų031.7 Ų31.70%015%0.153CC..G310 helixtrans-73.2-18173.600000113.2C16 N17 I18 A43 H44 L48 V214C16-A46 VanDerWaalsContact O-CA 3.27Å; C16-A46 WeakPolarHBondContact O-CA 3.36Å; C16-A46 VanDerWaalsContact O-CB 3.24Å; C16-A46 WeakPolarHBondContact O-CB 3.44Å; N17-A46 WeakPolarHBondContact O-CB 3.48Å; I18-A46 HydrophobicContact CG1-CB 4.33Å; A43-A46 PolarHBondContact O-N 2.72Å; A43-A46 VanDerWaalsContact O-N 3.17Å; H44-A46 PolarHBondContact O-N 2.89Å; A46-L48 PolarHBondContact O-N 3.18Å; A46-V214 VanDerWaalsContact O-CG1 3.23Å; A46-V214 WeakPolarHBondContact O-CG1 3.33Å; A46-V214 WeakPolarHBondContact O-CG2 3.41Å
47G98.2Very high97.5Very high0 Ų032.2 Ų32.20%015%0.151CC..SBendtrans76.9-10.5-169.600000114.3H44 R45 T274 F275H44-G47 PolarHBondContact O-N 2.61Å; R45-G47 PolarHBondContact O-N 3.43Å; G47-T274 WeakPolarHBondContact O-CA 3.49Å; G47-F275 PolarHBondContact O-N 3.31Å
48L98.8Very high97.5Very high0 Ų032.7 Ų32.70%015%0.154CC..EExtended strand (participates in β ladder)trans-152.4137.7-176.5-17670000110.8I18 A46 W212 V214 I264 M272 V273 T274I18-L48 HydrophobicContact CD1-CD2 4.18Å; A46-L48 PolarHBondContact O-N 3.18Å; L48-W212 HydrophobicContact CD1-CE3 4.15Å; L48-W212 HydrophobicContact CD2-CB 3.67Å; L48-W212 HydrophobicContact CD2-CD2 4.39Å; L48-W212 HydrophobicContact CD2-CE3 4.36Å; L48-W212 HydrophobicContact CD2-CG 4.15Å; L48-V214 HydrophobicContact CB-CB 3.86Å; L48-V214 HydrophobicContact CB-CG1 3.95Å; L48-V214 HydrophobicContact CB-CG2 3.75Å; L48-V214 HydrophobicContact CD2-CB 4.15Å; L48-V214 HydrophobicContact CD2-CG1 4.37Å; L48-I264 HydrophobicContact CD2-CG2 3.92Å; L48-M272 HydrophobicContact CD1-CB 4.28Å; L48-M272 HydrophobicContact CD1-CE 3.65Å; L48-M272 HydrophobicContact CD2-CE 3.68Å; L48-M272 HydrophobicContact CG-CE 3.52Å; L48-V273 CarbonylContact C-O 3.52Å; L48-V273 VanDerWaalsContact CA-O 3.31Å; L48-V273 WeakPolarHBondContact CA-O 3.29Å; L48-T274 HydrophobicContact CD1-CG2 3.9Å
49A98.9Very high97.4Very high0 Ų032.7 Ų32.70%016%0.155CC..EExtended strand (participates in β ladder)trans-131.8154.7170.100000111.3F21 A43 M272 V273 F275F21-A49 HydrophobicContact CD2-CB 4.44Å; F21-A49 HydrophobicContact CE2-CB 4.26Å; A43-A49 HydrophobicContact CB-CB 4.19Å; A49-M272 CarbonylContact O-C 3.53Å; A49-M272 WeakPolarHBondContact O-CA 3.22Å; A49-M272 WeakPolarHBondContact O-CE 3.3Å; A49-V273 PolarHBondContact N-O 3.26Å; A49-V273 PolarHBondContact O-N 3.03Å; A49-F275 HydrophobicContact CB-CE2 3.74Å; A49-F275 HydrophobicContact CB-CZ 4.22Å
50K98.9Very high97.5Very high12 Ų1233.7 Ų33.75%0.05216%0.158CC..EExtended strand (participates in β ladder)trans-105.8140170.9177.6-172.5-82-157.20109.6M19 I20 F21 V52 I264 T265 E270 F271 M272M19-K50 PolarHBondContact O-N 2.92Å; I20-K50 WeakPolarHBondContact CA-O 3.39Å; I20-K50 HydrophobicContact CD1-CD 4.37Å; I20-K50 HydrophobicContact CG1-CB 4.22Å; I20-K50 HydrophobicContact CG1-CD 4.33Å; I20-K50 HydrophobicContact CG2-CB 4.27Å; I20-K50 HydrophobicContact CG2-CD 3.83Å; I20-K50 HydrophobicContact CG2-CG 4.15Å; F21-K50 PolarHBondContact N-O 3.29Å; K50-V52 HydrophobicContact CD-CG2 4.14Å; K50-V52 HydrophobicContact CG-CG2 4.4Å; K50-I264 HydrophobicContact CB-CD1 3.97Å; K50-I264 HydrophobicContact CD-CD1 4.17Å; K50-T265 WeakPolarHBondContact CE-O 3.18Å; K50-T265 PolarHBondContact NZ-O 3.18Å; K50-E270 WeakPolarHBondContact CD-OE1 3.49Å; K50-E270 WeakPolarHBondContact CE-OE1 3.42Å; K50-E270 WeakPolarHBondContact CE-OE2 3.45Å; K50-E270 IonicContact NZ-OE1 2.82Å; K50-E270 PolarHBondContact NZ-OE1 3.23Å; K50-E270 IonicContact NZ-OE2 3.39Å; K50-E270 PolarHBondContact NZ-OE2 2.85Å; K50-F271 WeakPolarHBondContact CA-O 3.43Å; K50-M272 HydrophobicContact CB-CE 4.11Å; K50-M272 HydrophobicContact CB-SD 3.63Å; K50-M272 HydrophobicContact CG-SD 3.85Å
51I98.8Very high97.5Very high0 Ų038.2 Ų38.20%018%0.176CC..EExtended strand (participates in β ladder)trans-125.1120.4171.2-4982.6000108.3F21 P23 F28 Y34 M38 W152 F271 V273F21-I51 HydrophobicContact CB-CG1 4.4Å; F21-I51 HydrophobicContact CB-CG2 4.41Å; P23-I51 HydrophobicContact CG-CG2 3.68Å; F28-I51 HydrophobicContact CE2-CG2 4.4Å; Y34-I51 HydrophobicContact CE1-CG2 4.31Å; M38-I51 HydrophobicContact CE-CD1 4.02Å; M38-I51 HydrophobicContact CE-CG1 4.05Å; M38-I51 HydrophobicContact SD-CD1 3.87Å; M38-I51 HydrophobicContact SD-CG1 3.52Å; M38-I51 VanDerWaalsContact SD-CG1 3.52Å; I51-W152 HydrophobicContact CB-CH2 4.42Å; I51-W152 HydrophobicContact CB-CZ3 4.36Å; I51-W152 HydrophobicContact CD1-CH2 4.44Å; I51-W152 HydrophobicContact CD1-CZ3 4.3Å; I51-W152 HydrophobicContact CG1-CH2 4.03Å; I51-W152 HydrophobicContact CG1-CZ3 4.2Å; I51-W152 HydrophobicContact CG2-CH2 4.17Å; I51-W152 HydrophobicContact CG2-CZ3 4.41Å; I51-F271 HydrophobicContact CB-CB 4.17Å; I51-F271 HydrophobicContact CD1-CB 4.36Å; I51-F271 PolarHBondContact N-O 2.81Å; I51-F271 PolarHBondContact O-N 3.11Å; I51-V273 HydrophobicContact CD1-CB 4.07Å; I51-V273 HydrophobicContact CD1-CG2 3.61Å
52V98.8Very high97.5Very high38 Ų3838.5 Ų38.523%0.2318%0.182CC..  trans-95.7111.6173.4-176.60000106.9I20 F21 P23 K50 E270I20-V52 HydrophobicContact CG2-CG2 4.1Å; F21-V52 PolarHBondContact O-N 3.32Å; P23-V52 WeakPolarHBondContact CD-O 3.49Å; K50-V52 HydrophobicContact CD-CG2 4.14Å; K50-V52 HydrophobicContact CG-CG2 4.4Å; V52-E270 HydrophobicContact CG2-CG 4.35Å
53P98.4Very high97.5Very high17 Ų1740.9 Ų40.911%0.1119%0.191CC..  trans-67.6164.6-175.328.8-34.8000112.1F28 W57 G269 F271F28-P53 HydrophobicContact CE1-CB 4.07Å; F28-P53 HydrophobicContact CE2-CB 4.2Å; F28-P53 HydrophobicContact CZ-CB 3.78Å; P53-W57 HydrophobicContact CB-CD2 4.23Å; P53-W57 HydrophobicContact CB-CE3 3.63Å; P53-W57 HydrophobicContact CB-CZ3 4.15Å; P53-W57 HydrophobicContact CG-CE3 3.72Å; P53-W57 HydrophobicContact CG-CZ3 3.93Å; P53-G269 WeakPolarHBondContact CD-O 3.27Å; P53-G269 WeakPolarHBondContact CG-O 3.24Å; P53-F271 HydrophobicContact CB-CE2 4.27Å; P53-F271 HydrophobicContact CG-CD2 4.37Å; P53-F271 HydrophobicContact CG-CE2 4.25Å
54P98.3Very high97.4Very high15 Ų1546.9 Ų46.910%0.09722%0.223CC..  trans-53.4141.8171.9-2231.4000111.3K25 F28 E56 W57K25-P54 HydrophobicContact CB-CG 4.48Å; F28-P54 HydrophobicContact CB-CG 3.95Å; F28-P54 HydrophobicContact CD1-CG 4.33Å; F28-P54 HydrophobicContact CG-CG 4.16Å; P54-E56 PolarHBondContact O-N 3.43Å; P54-E56 VanDerWaalsContact O-N 3.1Å; P54-W57 HydrophobicContact CB-CB 4.41Å; P54-W57 WeakPolarHBondContact O-CB 3.36Å; P54-W57 PolarHBondContact O-N 3.38Å
55K95.1Very high97.2Very high202 Ų20252.2 Ų52.288%0.87825%0.252SS*.THydrogen-bonded Turntrans-63.6-22.8-172.7-65.3-178.3-179.6178.80113.7
56E94.5Very high97.2Very high145 Ų14551.5 Ų51.568%0.67825%0.25SC*.THydrogen-bonded Turntrans-86.4-13.2179.8-50.870.3-151.400112.1P54P54-E56 PolarHBondContact O-N 3.43Å; P54-E56 VanDerWaalsContact O-N 3.1Å
57W97.6Very high97.2Very high32 Ų3252.6 Ų52.612%0.12126%0.257CS..  trans-85.1142.4177.2179.593.9000110.9F28 P53 P54 A59 F145 T149 Q151 Y203 F271F28-W57 HydrophobicContact CD1-CG 4.23Å; F28-W57 AromaticContact CE1-CD1 3.84Å; F28-W57 AromaticContact CE1-CD2 3.8Å; F28-W57 HydrophobicContact CE1-CD2 3.8Å; F28-W57 AromaticContact CE1-CE2 3.73Å; F28-W57 HydrophobicContact CE1-CE3 4.44Å; F28-W57 AromaticContact CE1-CG 3.89Å; F28-W57 HydrophobicContact CE1-CG 3.89Å; F28-W57 HydrophobicContact CE1-CZ2 4.29Å; F28-W57 AromaticContact CE1-NE1 3.73Å; P53-W57 HydrophobicContact CB-CD2 4.23Å; P53-W57 HydrophobicContact CB-CE3 3.63Å; P53-W57 HydrophobicContact CB-CZ3 4.15Å; P53-W57 HydrophobicContact CG-CE3 3.72Å; P53-W57 HydrophobicContact CG-CZ3 3.93Å; P54-W57 HydrophobicContact CB-CB 4.41Å; P54-W57 WeakPolarHBondContact O-CB 3.36Å; P54-W57 PolarHBondContact O-N 3.38Å; W57-A59 HydrophobicContact CH2-CB 3.72Å; W57-A59 HydrophobicContact CZ2-CB 4.24Å; W57-A59 HydrophobicContact CZ3-CB 4.35Å; W57-F145 AromaticContact CH2-CE1 3.89Å; W57-F145 HydrophobicContact CH2-CE1 3.89Å; W57-F145 AromaticContact CZ2-CE1 3.83Å; W57-F145 HydrophobicContact CZ2-CE1 3.83Å; W57-T149 HydrophobicContact CZ2-CG2 4.09Å; W57-Q151 PolarHBondContact NE1-O 3.06Å; W57-Y203 HydrophobicContact CH2-CD2 4.45Å; W57-Y203 HydrophobicContact CH2-CE1 4.45Å; W57-Y203 AromaticContact CH2-CE2 3.87Å; W57-Y203 HydrophobicContact CH2-CE2 3.87Å; W57-Y203 AromaticContact CH2-CZ 3.88Å; W57-Y203 AromaticContact CZ3-CE2 3.62Å; W57-Y203 HydrophobicContact CZ3-CE2 3.62Å; W57-Y203 AromaticContact CZ3-CZ 3.67Å; W57-Y203 WeakPolarHBondContact CZ3-OH 3.37Å; W57-F271 AromaticContact CH2-CE2 3.58Å; W57-F271 HydrophobicContact CH2-CE2 3.58Å; W57-F271 AromaticContact CH2-CZ 3.42Å; W57-F271 HydrophobicContact CH2-CZ 3.42Å; W57-F271 VanDerWaalsContact CH2-CZ 3.42Å; W57-F271 HydrophobicContact CZ2-CE2 4.3Å; W57-F271 AromaticContact CZ2-CZ 3.97Å; W57-F271 HydrophobicContact CZ2-CZ 3.97Å; W57-F271 AromaticContact CZ3-CE2 3.73Å; W57-F271 HydrophobicContact CZ3-CE2 3.73Å; W57-F271 HydrophobicContact CZ3-CZ 4.07Å
58K96.4Very high97.1Very high102 Ų10259.7 Ų59.744%0.44329%0.29SS..  trans-144.5139.5173.752.6-174.8164.9-176.50109.1R60 E61K58-R60 PolarHBondContact O-N 3.05Å; K58-E61 WeakPolarHBondContact CE-OE2 3.32Å; K58-E61 IonicContact NZ-OE1 3.57Å; K58-E61 PolarHBondContact NZ-OE1 3.45Å; K58-E61 IonicContact NZ-OE2 3.24Å; K58-E61 PolarHBondContact NZ-OE2 2.62Å
59A96.9Very high97.1Very high1 Ų162 Ų621%0.00830%0.302CS..SBendtrans-61.6-32.617600000112.7W57 F145 D146 T149 Y203W57-A59 HydrophobicContact CH2-CB 3.72Å; W57-A59 HydrophobicContact CZ2-CB 4.24Å; W57-A59 HydrophobicContact CZ3-CB 4.35Å; A59-F145 HydrophobicContact CB-CD1 3.72Å; A59-F145 HydrophobicContact CB-CE1 3.63Å; A59-F145 HydrophobicContact CB-CG 4.26Å; A59-F145 HydrophobicContact CB-CZ 4.05Å; A59-D146 PolarHBondContact O-N 3.44Å; A59-T149 PolarHBondContact O-OG1 3.2Å; A59-Y203 HydrophobicContact CB-CD1 4.24Å; A59-Y203 HydrophobicContact CB-CE1 3.49Å; A59-Y203 VanDerWaalsContact CB-CE1 3.49Å
60R97.2Very high97.1Very high27 Ų2766.9 Ų66.910%0.10233%0.328CS..  trans-161.3170.8-178.366.4179-57.4144.2-21.3111.6K58 T62 Y63 N65 L144 D146K58-R60 PolarHBondContact O-N 3.05Å; R60-T62 VanDerWaalsContact CZ-O 3.29Å; R60-T62 PolarHBondContact NE-O 3.48Å; R60-T62 PolarHBondContact NH2-O 2.89Å; R60-Y63 HydrophobicContact CG-CD1 4.48Å; R60-Y63 HydrophobicContact CG-CE1 3.96Å; R60-Y63 HydrophobicContact CG-CE2 4.18Å; R60-N65 PolarHBondContact NH2-OD1 3.01Å; R60-L144 VanDerWaalsContact CD-O 3.24Å; R60-L144 WeakPolarHBondContact CD-O 3.46Å; R60-L144 PolarHBondContact NH1-O 3.05Å; R60-D146 WeakPolarHBondContact CA-OD2 3.31Å; R60-D146 HydrophobicContact CB-CB 4.26Å; R60-D146 VanDerWaalsContact CB-CG 3.45Å; R60-D146 WeakPolarHBondContact CB-OD2 3.33Å
61E95.4Very high97Very high126 Ų12666.3 Ų66.359%0.58933%0.325SS*.SBendtrans-73.6-60.2178.8-162.361.3-132.700114.3K58 D146K58-E61 WeakPolarHBondContact CE-OE2 3.32Å; K58-E61 IonicContact NZ-OE1 3.57Å; K58-E61 PolarHBondContact NZ-OE1 3.45Å; K58-E61 IonicContact NZ-OE2 3.24Å; K58-E61 PolarHBondContact NZ-OE2 2.62Å; E61-D146 PolarHBondContact N-OD2 3.45Å
62T96.6Very high97Very high69 Ų6969.2 Ų69.242%0.42335%0.349SS..  trans-141.1158.2179.979.40000113.1R60 D64R60-T62 VanDerWaalsContact CZ-O 3.29Å; R60-T62 PolarHBondContact NE-O 3.48Å; R60-T62 PolarHBondContact NH2-O 2.89Å; T62-D64 PolarHBondContact OG1-OD2 3.09Å
63Y97.6Very high96.9Very high50 Ų5070.4 Ų70.420%0.19636%0.357CS..  trans-104.38.3-179.8-67-83.4000114R60 N65 I66 L144 H205 L206R60-Y63 HydrophobicContact CG-CD1 4.48Å; R60-Y63 HydrophobicContact CG-CE1 3.96Å; R60-Y63 HydrophobicContact CG-CE2 4.18Å; Y63-N65 VanDerWaalsContact C-N 3.28Å; Y63-N65 PolarHBondContact O-N 3.4Å; Y63-I66 HydrophobicContact CD1-CD1 4.45Å; Y63-I66 HydrophobicContact CD1-CG2 4.38Å; Y63-I66 VanDerWaalsContact O-CG1 3.3Å; Y63-I66 WeakPolarHBondContact O-CG1 3.32Å; Y63-I66 PolarHBondContact O-N 3.35Å; Y63-L144 HydrophobicContact CE1-CD1 4.38Å; Y63-H205 HydrophobicContact CE1-CB 3.52Å; Y63-H205 AromaticContact CE1-CG 3.77Å; Y63-H205 AromaticContact CE1-ND1 3.48Å; Y63-H205 WeakPolarHBondContact CE1-ND1 3.48Å; Y63-H205 WeakPolarHBondContact CE2-O 3.44Å; Y63-H205 AromaticContact CZ-ND1 3.6Å; Y63-H205 VanDerWaalsContact CZ-O 3.29Å; Y63-H205 WeakPolarHBondContact OH-CA 3.34Å; Y63-H205 WeakPolarHBondContact OH-CB 2.98Å; Y63-H205 PolarHBondContact OH-ND1 3.22Å; Y63-H205 PolarHBondContact OH-O 3.26Å; Y63-H205 VanDerWaalsContact OH-O 3.06Å; Y63-L206 HydrophobicContact CD1-CD2 3.37Å; Y63-L206 HydrophobicContact CD2-CB 4.35Å; Y63-L206 HydrophobicContact CD2-CD2 4.26Å; Y63-L206 HydrophobicContact CE1-CD2 3.92Å; Y63-L206 HydrophobicContact CE2-CB 4.42Å; Y63-L206 HydrophobicContact CG-CB 4.48Å; Y63-L206 HydrophobicContact CG-CD2 3.57Å
64D95Very high96.9Very high126 Ų12669.6 Ų69.667%0.67435%0.351SS*.G310 helixtrans-66.7-30.9-170.2-56.9-51.8000113.1T62 I66T62-D64 PolarHBondContact OG1-OD2 3.09Å; D64-I66 VanDerWaalsContact C-N 3.35Å; D64-I66 PolarHBondContact O-N 3.2Å
65N94.4Very high96.8Very high115 Ų11569.9 Ų69.962%0.61535%0.352SS*.G310 helixtrans-81.3-1.6-17866.2-9.9000115R60 Y63 S67R60-N65 PolarHBondContact NH2-OD1 3.01Å; Y63-N65 VanDerWaalsContact C-N 3.28Å; Y63-N65 PolarHBondContact O-N 3.4Å; N65-S67 VanDerWaalsContact C-N 3.25Å; N65-S67 PolarHBondContact O-N 3.14Å
66I97.1Very high97Very high5 Ų561.7 Ų61.73%0.02632%0.317CS..G310 helixtrans-77.5-8.8-177.677.5-178.2000113.8Y63 D64 E68 I69 V98 L144 F182 L206Y63-I66 HydrophobicContact CD1-CD1 4.45Å; Y63-I66 HydrophobicContact CD1-CG2 4.38Å; Y63-I66 VanDerWaalsContact O-CG1 3.3Å; Y63-I66 WeakPolarHBondContact O-CG1 3.32Å; Y63-I66 PolarHBondContact O-N 3.35Å; D64-I66 VanDerWaalsContact C-N 3.35Å; D64-I66 PolarHBondContact O-N 3.2Å; I66-E68 PolarHBondContact O-N 2.91Å; I66-I69 HydrophobicContact CB-CD1 3.87Å; I66-I69 HydrophobicContact CG2-CD1 4.3Å; I66-I69 WeakPolarHBondContact O-CB 3.28Å; I66-I69 WeakPolarHBondContact O-CG1 3.48Å; I66-I69 PolarHBondContact O-N 3.11Å; I66-I69 VanDerWaalsContact O-N 3.11Å; I66-V98 HydrophobicContact CD1-CG1 4.33Å; I66-V98 HydrophobicContact CG1-CG1 4.11Å; I66-V98 WeakPolarHBondContact O-CB 3.47Å; I66-L144 HydrophobicContact CG2-CD1 4.47Å; I66-L144 HydrophobicContact CG2-CD2 3.82Å; I66-F182 HydrophobicContact CD1-CE1 4.39Å; I66-L206 HydrophobicContact CD1-CD2 3.5Å
67S97.3Very high97.2Very high22 Ų2255 Ų5515%0.15429%0.285CS..G310 helixtrans-60.5-29.9-170.4-58.30000113.6N65 T97 V98 G99 R102N65-S67 VanDerWaalsContact C-N 3.25Å; N65-S67 PolarHBondContact O-N 3.14Å; S67-T97 VanDerWaalsContact O-CB 3.31Å; S67-T97 WeakPolarHBondContact O-CB 3.3Å; S67-T97 PolarHBondContact O-OG1 3.01Å; S67-V98 PolarHBondContact O-N 3.14Å; S67-G99 PolarHBondContact O-N 3.39Å; S67-R102 PolarHBondContact OG-NH2 3Å
68E97.6Very high97.1Very high149 Ų14954.8 Ų54.870%0.69629%0.288SS*.G310 helixtrans-87.4-2.5-178.6-57.5-50.1122.100114.1I66 L70I66-E68 PolarHBondContact O-N 2.91Å; E68-L70 PolarHBondContact O-N 3Å
69I97.9Very high97.1Very high50 Ų5050.5 Ų50.526%0.25627%0.272SS..  trans-61.9130.3176.1-64.7177.2000109.1I66 T97 V98 L144 F182I66-I69 HydrophobicContact CB-CD1 3.87Å; I66-I69 HydrophobicContact CG2-CD1 4.3Å; I66-I69 WeakPolarHBondContact O-CB 3.28Å; I66-I69 WeakPolarHBondContact O-CG1 3.48Å; I66-I69 PolarHBondContact O-N 3.11Å; I66-I69 VanDerWaalsContact O-N 3.11Å; I69-T97 CarbonylContact O-C 3.52Å; I69-T97 WeakPolarHBondContact O-CA 3.07Å; I69-V98 HydrophobicContact CB-CG2 3.8Å; I69-V98 HydrophobicContact CG2-CG2 4.13Å; I69-V98 PolarHBondContact O-N 3.3Å; I69-L144 HydrophobicContact CD1-CD2 3.69Å; I69-F182 HydrophobicContact CG2-CE2 4.45Å
70L98.3Very high97Very high101 Ų10154.4 Ų54.453%0.52930%0.299SS..EExtended strand (participates in β ladder)trans-87.1115.8-177-174.767.5000111.3E68 A72 A95E68-L70 PolarHBondContact O-N 3Å; L70-A72 PolarHBondContact O-N 3.4Å; L70-A72 VanDerWaalsContact O-N 3.16Å; L70-A95 HydrophobicContact CD1-CB 4.02Å
71I98.3Very high96.8Very high1 Ų155 Ų551%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-81.592.4165.2-54.7167.4000106.8T73 P74 A95 M96 V98 Y101 I140 F182I71-T73 PolarHBondContact O-N 3.11Å; I71-P74 HydrophobicContact CB-CG 4.25Å; I71-P74 HydrophobicContact CG2-CB 3.98Å; I71-P74 HydrophobicContact CG2-CG 3.64Å; I71-P74 WeakPolarHBondContact O-CD 3.48Å; I71-A95 VanDerWaalsContact O-CA 3.27Å; I71-A95 WeakPolarHBondContact O-CA 3.49Å; I71-M96 WeakPolarHBondContact CA-O 3.3Å; I71-M96 HydrophobicContact CB-CG 4.46Å; I71-M96 WeakPolarHBondContact CB-O 3.12Å; I71-M96 PolarHBondContact N-O 3.25Å; I71-M96 PolarHBondContact O-N 3.12Å; I71-V98 HydrophobicContact CD1-CG2 4.23Å; I71-V98 HydrophobicContact CG1-CG2 4.18Å; I71-Y101 HydrophobicContact CD1-CD1 4.15Å; I71-Y101 HydrophobicContact CD1-CD2 3.81Å; I71-Y101 HydrophobicContact CD1-CG 3.57Å; I71-I140 HydrophobicContact CB-CD1 4.24Å; I71-I140 HydrophobicContact CG1-CD1 3.83Å; I71-I140 HydrophobicContact CG2-CD1 3.99Å; I71-F182 HydrophobicContact CD1-CB 4.19Å; I71-F182 HydrophobicContact CD1-CD2 4.08Å; I71-F182 HydrophobicContact CD1-CG 4.24Å; I71-F182 HydrophobicContact CG1-CD2 4.06Å
72A97.6Very high96.6Very high60 Ų6059 Ų5950%0.49632%0.322SS..SBendtrans-63.5-38.6-171.800000113.8L70 A95L70-A72 PolarHBondContact O-N 3.4Å; L70-A72 VanDerWaalsContact O-N 3.16Å; A72-A95 WeakPolarHBondContact O-CB 3.24Å
73T96.9Very high96.2Very high64 Ų6460 Ų6039%0.39334%0.338SS..SBendtrans-13577.8179.9-54.20000111.7I71 L75 K92I71-T73 PolarHBondContact O-N 3.11Å; T73-L75 HydrophobicContact CG2-CD2 4.07Å; T73-K92 HydrophobicContact CG2-CB 3.97Å; T73-K92 HydrophobicContact CG2-CD 3.6Å; T73-K92 HydrophobicContact CG2-CG 3.63Å
74P97.9Very high96Very high0 Ų058.1 Ų58.10%033%0.334CS..  trans-65.6138.4176-10.623.8000110.8I71 K93 K94 M96 I135I71-P74 HydrophobicContact CB-CG 4.25Å; I71-P74 HydrophobicContact CG2-CB 3.98Å; I71-P74 HydrophobicContact CG2-CG 3.64Å; I71-P74 WeakPolarHBondContact O-CD 3.48Å; P74-K93 HydrophobicContact CB-CB 4.18Å; P74-K93 HydrophobicContact CG-CB 4.41Å; P74-K93 WeakPolarHBondContact O-CB 3.39Å; P74-K93 WeakPolarHBondContact O-CG 3.27Å; P74-K93 PolarHBondContact O-N 2.94Å; P74-K94 WeakPolarHBondContact CD-O 3.27Å; P74-K94 WeakPolarHBondContact CG-O 3.49Å; P74-M96 HydrophobicContact CB-SD 4.5Å; P74-M96 HydrophobicContact CG-CE 4.08Å; P74-M96 HydrophobicContact CG-CG 3.81Å; P74-M96 HydrophobicContact CG-SD 4.12Å; P74-I135 HydrophobicContact CB-CG2 3.51Å
75L97.9Very high96.1Very high21 Ų2153.5 Ų53.511%0.1131%0.31CS..EExtended strand (participates in β ladder)trans-107.7109.5-172.1-59.8-177.2000111.2T73 Q77 H90 K92 I135 Y136T73-L75 HydrophobicContact CG2-CD2 4.07Å; L75-Q77 PolarHBondContact O-N 2.95Å; L75-H90 HydrophobicContact CB-CB 4.19Å; L75-H90 HydrophobicContact CD1-CB 4.36Å; L75-H90 HydrophobicContact CD2-CB 4.32Å; L75-K92 HydrophobicContact CD2-CG 4.03Å; L75-I135 CarbonylContact O-C 3.58Å; L75-I135 WeakPolarHBondContact O-CA 3.46Å; L75-Y136 PolarHBondContact N-O 3.29Å; L75-Y136 PolarHBondContact O-N 3.31Å
76Q98.4Very high96.2Very high30 Ų3048.5 Ų48.514%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-77114.7172.6-175.2167.122.100110.6V78 K91 K93 S133 P134 I135Q76-V78 PolarHBondContact O-N 3.1Å; Q76-K91 HydrophobicContact CB-CB 4.29Å; Q76-K91 WeakPolarHBondContact CB-O 3.34Å; Q76-K91 PolarHBondContact N-O 3.27Å; Q76-K91 PolarHBondContact O-N 3.24Å; Q76-K93 HydrophobicContact CB-CD 3.75Å; Q76-K93 HydrophobicContact CB-CG 3.96Å; Q76-S133 PolarHBondContact NE2-O 3.04Å; Q76-S133 VanDerWaalsContact NE2-O 3.08Å; Q76-P134 CarbonylContact C-O 3.55Å; Q76-P134 WeakPolarHBondContact CA-O 3.46Å; Q76-I135 HydrophobicContact CB-CG1 4.01Å; Q76-I135 HydrophobicContact CG-CG1 4.14Å
77Q97.9Very high96.1Very high3 Ų350.7 Ų50.71%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-91.589-171.6-58.5-171.6-42.600111.5L75 R129 P134 T188L75-Q77 PolarHBondContact O-N 2.95Å; Q77-R129 PolarHBondContact O-NH1 2.84Å; Q77-P134 HydrophobicContact CB-CG 4.44Å; Q77-P134 PolarHBondContact N-O 2.86Å; Q77-T188 PolarHBondContact NE2-O 3.33Å
78V97.1Very high96Very high28 Ų2849.8 Ų49.817%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-82.2134.3176.2-167.70000108.8Q76 Q88 Y89Q76-V78 PolarHBondContact O-N 3.1Å; V78-Q88 CarbonylContact O-C 3.59Å; V78-Q88 VanDerWaalsContact O-CA 3.27Å; V78-Q88 WeakPolarHBondContact O-CA 3.34Å; V78-Y89 HydrophobicContact CB-CD1 4.09Å; V78-Y89 HydrophobicContact CB-CD2 4.22Å; V78-Y89 HydrophobicContact CB-CE1 3.6Å; V78-Y89 HydrophobicContact CB-CE2 3.77Å; V78-Y89 HydrophobicContact CB-CG 4.39Å; V78-Y89 VanDerWaalsContact CB-CZ 3.45Å; V78-Y89 HydrophobicContact CG1-CE1 3.62Å; V78-Y89 HydrophobicContact CG1-CE2 4.29Å; V78-Y89 WeakPolarHBondContact CG1-OH 3.42Å; V78-Y89 HydrophobicContact CG2-CE2 3.93Å; V78-Y89 PolarHBondContact N-O 2.91Å; V78-Y89 PolarHBondContact O-N 3.03Å
79A95.6Very high95.8Very high13 Ų1349 Ų4911%0.10728%0.282CS..EExtended strand (participates in β ladder)trans-117.3143.3178.700000111T87 R129A79-T87 WeakPolarHBondContact CA-O 3.15Å; A79-R129 HydrophobicContact CB-CG 4.43Å
80S95.3Very high95.7Very high83 Ų8350.4 Ų50.458%0.5829%0.287SS*.EExtended strand (participates in β ladder)trans-130.2146.4172.7-175.50000109.4F86 T87S80-F86 CarbonylContact O-C 3.15Å; S80-F86 VanDerWaalsContact O-CA 3.23Å; S80-F86 WeakPolarHBondContact O-CA 3.48Å; S80-F86 WeakPolarHBondContact O-CB 3.38Å; S80-T87 PolarHBondContact N-O 3.5Å; S80-T87 PolarHBondContact O-N 2.9Å
81G93.1Very high95.6Very high38 Ų3851.7 Ų51.739%0.39229%0.288SS..EExtended strand (participates in β ladder)trans134.2-170.7-176.300000112.7V85 F86G81-V85 CarbonylContact C-O 3.58Å; G81-V85 WeakPolarHBondContact CA-O 3.15Å; G81-F86 VanDerWaalsContact C-CD1 3.46Å
82R91.6Very high95.5Very high210 Ų21059 Ų5979%0.79232%0.32SS*.EExtended strand (participates in β ladder)trans-158.8165.2-174.762.1-177.5-179.4-177.80.5111.7G84 V85R82-G84 VanDerWaalsContact C-N 3.25Å; R82-G84 PolarHBondContact O-N 3.16Å; R82-G84 VanDerWaalsContact O-N 3.12Å; R82-V85 PolarHBondContact N-O 2.94Å; R82-V85 PolarHBondContact O-N 3.44Å; R82-V85 VanDerWaalsContact O-O 3.06Å
83A87.1Confident95.6Very high92 Ų9259.9 Ų59.976%0.7631%0.312SS*.THydrogen-bonded Turntrans5237169.700000115V85 V253A83-V85 VanDerWaalsContact C-N 3.33Å; A83-V253 WeakPolarHBondContact O-CG2 3.3Å
84G93.4Very high95.6Very high10 Ų1065.8 Ų65.810%0.10333%0.333CS..THydrogen-bonded Turntrans85.9-2.4179.600000115.4R82 I249 S250R82-G84 VanDerWaalsContact C-N 3.25Å; R82-G84 PolarHBondContact O-N 3.16Å; R82-G84 VanDerWaalsContact O-N 3.12Å; G84-I249 CarbonylContact O-C 3.51Å; G84-I249 WeakPolarHBondContact O-CA 3.23Å; G84-S250 PolarHBondContact O-N 2.65Å
85V97.4Very high95.6Very high29 Ų2968.3 Ų68.318%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-114116.4177.2-1740000108.9G81 R82 A83 L230 F231 L248 V253G81-V85 CarbonylContact C-O 3.58Å; G81-V85 WeakPolarHBondContact CA-O 3.15Å; R82-V85 PolarHBondContact N-O 2.94Å; R82-V85 PolarHBondContact O-N 3.44Å; R82-V85 VanDerWaalsContact O-O 3.06Å; A83-V85 VanDerWaalsContact C-N 3.33Å; V85-L230 HydrophobicContact CG1-CB 4.06Å; V85-L230 HydrophobicContact CG1-CD1 4.33Å; V85-L230 HydrophobicContact CG2-CD1 3.98Å; V85-L230 HydrophobicContact CG2-CD2 4.12Å; V85-F231 HydrophobicContact CG1-CE1 3.83Å; V85-F231 HydrophobicContact CG1-CE2 4.08Å; V85-F231 HydrophobicContact CG1-CZ 3.5Å; V85-L248 WeakPolarHBondContact CA-O 3.18Å; V85-V253 HydrophobicContact CG2-CG1 4.09Å; V85-V253 HydrophobicContact CG2-CG2 4.01Å
86F96.7Very high95.6Very high10 Ų1068.7 Ų68.74%0.04436%0.355CS..EExtended strand (participates in β ladder)trans-140.1148.1-177-43.4-86.1000112.2S80 G81 W126 I130 F231 L248S80-F86 CarbonylContact O-C 3.15Å; S80-F86 VanDerWaalsContact O-CA 3.23Å; S80-F86 WeakPolarHBondContact O-CA 3.48Å; S80-F86 WeakPolarHBondContact O-CB 3.38Å; G81-F86 VanDerWaalsContact C-CD1 3.46Å; F86-W126 HydrophobicContact CD2-CZ3 4.27Å; F86-W126 HydrophobicContact CE2-CE3 4.04Å; F86-W126 HydrophobicContact CE2-CZ3 4.18Å; F86-I130 HydrophobicContact CD1-CG2 3.51Å; F86-I130 HydrophobicContact CE1-CG2 3.47Å; F86-I130 VanDerWaalsContact CE1-CG2 3.47Å; F86-F231 WeakPolarHBondContact O-CZ 3.18Å; F86-L248 HydrophobicContact CB-CB 4.12Å; F86-L248 HydrophobicContact CB-CD1 4.31Å; F86-L248 HydrophobicContact CD2-CB 4.35Å; F86-L248 PolarHBondContact N-O 3.31Å; F86-L248 WeakPolarHBondContact O-CA 3.07Å; F86-L248 WeakPolarHBondContact O-CB 3.05Å; F86-L248 PolarHBondContact O-N 3.44Å
87T96.1Very high95.7Very high51 Ų5168.7 Ų68.731%0.31336%0.357SS..EExtended strand (participates in β ladder)trans-104.2131.9163.4-51.20000108.1A79 S80 F231 V246A79-T87 WeakPolarHBondContact CA-O 3.15Å; S80-T87 PolarHBondContact N-O 3.5Å; S80-T87 PolarHBondContact O-N 2.9Å; T87-F231 WeakPolarHBondContact OG1-CE1 3.43Å; T87-V246 CarbonylContact C-O 3.53Å; T87-V246 WeakPolarHBondContact CA-O 3.45Å; T87-V246 HydrophobicContact CG2-CB 4.06Å; T87-V246 HydrophobicContact CG2-CG2 4.18Å
88Q94.5Very high95.7Very high3 Ų368.6 Ų68.61%0.01436%0.357CS..EExtended strand (participates in β ladder)trans-102.4147.3170.166.6172.91800111.5V78 H90 R129 K245 V246 L248V78-Q88 CarbonylContact O-C 3.59Å; V78-Q88 VanDerWaalsContact O-CA 3.27Å; V78-Q88 WeakPolarHBondContact O-CA 3.34Å; Q88-H90 PolarHBondContact NE2-NE2 2.83Å; Q88-R129 VanDerWaalsContact OE1-NH2 3.11Å; Q88-K245 PolarHBondContact NE2-O 3.19Å; Q88-K245 VanDerWaalsContact NE2-O 3.08Å; Q88-V246 WeakPolarHBondContact CG-O 3.36Å; Q88-V246 PolarHBondContact N-O 2.97Å; Q88-V246 VanDerWaalsContact O-CB 3.24Å; Q88-V246 WeakPolarHBondContact O-CB 3.1Å; Q88-V246 WeakPolarHBondContact O-CG1 3.16Å; Q88-L248 HydrophobicContact CB-CD1 4.38Å
89Y93.4Very high95.8Very high133 Ų13368.2 Ų68.252%0.52236%0.359SS..EExtended strand (participates in β ladder)trans-133151.6170.665.2-87.3000110.5V78V78-Y89 HydrophobicContact CB-CD1 4.09Å; V78-Y89 HydrophobicContact CB-CD2 4.22Å; V78-Y89 HydrophobicContact CB-CE1 3.6Å; V78-Y89 HydrophobicContact CB-CE2 3.77Å; V78-Y89 HydrophobicContact CB-CG 4.39Å; V78-Y89 VanDerWaalsContact CB-CZ 3.45Å; V78-Y89 HydrophobicContact CG1-CE1 3.62Å; V78-Y89 HydrophobicContact CG1-CE2 4.29Å; V78-Y89 WeakPolarHBondContact CG1-OH 3.42Å; V78-Y89 HydrophobicContact CG2-CE2 3.93Å; V78-Y89 PolarHBondContact N-O 2.91Å; V78-Y89 PolarHBondContact O-N 3.03Å
90H95.2Very high95.9Very high78 Ų7873 Ų7336%0.36138%0.379SS..EExtended strand (participates in β ladder)trans-105.5115-171.9-58156.6000111L75 Q88L75-H90 HydrophobicContact CB-CB 4.19Å; L75-H90 HydrophobicContact CD1-CB 4.36Å; L75-H90 HydrophobicContact CD2-CB 4.32Å; Q88-H90 PolarHBondContact NE2-NE2 2.83Å
91K96.4Very high96.1Very high128 Ų12869 Ų6956%0.55735%0.351SS*.EExtended strand (participates in β ladder)trans-95.5109.1171.4-179.3171.8-174.7169.20109.4Q76Q76-K91 HydrophobicContact CB-CB 4.29Å; Q76-K91 WeakPolarHBondContact CB-O 3.34Å; Q76-K91 PolarHBondContact N-O 3.27Å; Q76-K91 PolarHBondContact O-N 3.24Å
92K97.1Very high96.3Very high156 Ų15671.8 Ų71.868%0.67835%0.35SS*.EExtended strand (participates in β ladder)trans-53.6140.8175.5-63.2-173.2174.1-169.50111.2T73 L75T73-K92 HydrophobicContact CG2-CB 3.97Å; T73-K92 HydrophobicContact CG2-CD 3.6Å; T73-K92 HydrophobicContact CG2-CG 3.63Å; L75-K92 HydrophobicContact CD2-CG 4.03Å
93K97.9Very high96.7Very high77 Ų7768.9 Ų68.934%0.33535%0.345SS..  trans-115169.6176.6-54.2-62.5-77.3-165.70109.7P74 Q76 I135P74-K93 HydrophobicContact CB-CB 4.18Å; P74-K93 HydrophobicContact CG-CB 4.41Å; P74-K93 WeakPolarHBondContact O-CB 3.39Å; P74-K93 WeakPolarHBondContact O-CG 3.27Å; P74-K93 PolarHBondContact O-N 2.94Å; Q76-K93 HydrophobicContact CB-CD 3.75Å; Q76-K93 HydrophobicContact CB-CG 3.96Å; K93-I135 HydrophobicContact CG-CD1 4.26Å; K93-I135 HydrophobicContact CG-CG1 4.46Å; K93-I135 HydrophobicContact CG-CG2 4.32Å
94K97.7Very high97.2Very high188 Ų18866.8 Ų66.882%0.81732%0.32SS*.  trans-63.2148.4169-65.7-171176.4-172.30109.2P74P74-K94 WeakPolarHBondContact CD-O 3.27Å; P74-K94 WeakPolarHBondContact CG-O 3.49Å
95A98.3Very high97.5Very high53 Ų5366.4 Ų66.444%0.43832%0.316SS..  trans-55150.6171.400000111.2L70 I71 A72L70-A95 HydrophobicContact CD1-CB 4.02Å; I71-A95 VanDerWaalsContact O-CA 3.27Å; I71-A95 WeakPolarHBondContact O-CA 3.49Å; A72-A95 WeakPolarHBondContact O-CB 3.24Å
96M98.5Very high97.5Very high29 Ų2969.4 Ų69.414%0.14333%0.332CS..EExtended strand (participates in β ladder)trans-153.9156.617760.6-172.45800109.9I71 P74 E100 Y101 L104I71-M96 WeakPolarHBondContact CA-O 3.3Å; I71-M96 HydrophobicContact CB-CG 4.46Å; I71-M96 WeakPolarHBondContact CB-O 3.12Å; I71-M96 PolarHBondContact N-O 3.25Å; I71-M96 PolarHBondContact O-N 3.12Å; P74-M96 HydrophobicContact CB-SD 4.5Å; P74-M96 HydrophobicContact CG-CE 4.08Å; P74-M96 HydrophobicContact CG-CG 3.81Å; P74-M96 HydrophobicContact CG-SD 4.12Å; M96-E100 WeakPolarHBondContact CA-OE2 3.31Å; M96-E100 HydrophobicContact CB-CB 4.16Å; M96-E100 VanDerWaalsContact CB-OE2 3.3Å; M96-E100 WeakPolarHBondContact CB-OE2 2.92Å; M96-Y101 HydrophobicContact SD-CD2 3.83Å; M96-Y101 HydrophobicContact SD-CG 4.44Å; M96-L104 HydrophobicContact CE-CD2 4.45Å; M96-L104 HydrophobicContact SD-CD2 4.4Å
97T98.6Very high97.6Very high31 Ų3170.5 Ų70.519%0.1934%0.34CS..EExtended strand (participates in β ladder)trans-77.2162.3173.976.30000111.4S67 I69 G99 E100 Y101S67-T97 VanDerWaalsContact O-CB 3.31Å; S67-T97 WeakPolarHBondContact O-CB 3.3Å; S67-T97 PolarHBondContact O-OG1 3.01Å; I69-T97 CarbonylContact O-C 3.52Å; I69-T97 WeakPolarHBondContact O-CA 3.07Å; T97-G99 PolarHBondContact O-N 3.37Å; T97-G99 PolarHBondContact OG1-N 3.34Å; T97-E100 PolarHBondContact N-OE2 3.46Å; T97-E100 PolarHBondContact O-N 3.45Å; T97-E100 PolarHBondContact OG1-N 3.17Å; T97-Y101 WeakPolarHBondContact O-CB 3.26Å; T97-Y101 PolarHBondContact O-N 2.73Å
98V98.6Very high97.6Very high0 Ų077.4 Ų77.40%037%0.366CS..Hα-helixtrans-59.7-33.5171.3171.40000111.4I66 S67 I69 I71 Y101 R102 F182 F287I66-V98 HydrophobicContact CD1-CG1 4.33Å; I66-V98 HydrophobicContact CG1-CG1 4.11Å; I66-V98 WeakPolarHBondContact O-CB 3.47Å; S67-V98 PolarHBondContact O-N 3.14Å; I69-V98 HydrophobicContact CB-CG2 3.8Å; I69-V98 HydrophobicContact CG2-CG2 4.13Å; I69-V98 PolarHBondContact O-N 3.3Å; I71-V98 HydrophobicContact CD1-CG2 4.23Å; I71-V98 HydrophobicContact CG1-CG2 4.18Å; V98-Y101 PolarHBondContact O-N 3.15Å; V98-R102 VanDerWaalsContact O-CB 3.27Å; V98-R102 WeakPolarHBondContact O-CB 3.32Å; V98-R102 PolarHBondContact O-N 3.26Å; V98-F182 HydrophobicContact CB-CE1 4.27Å; V98-F182 HydrophobicContact CG1-CD1 3.9Å; V98-F182 HydrophobicContact CG1-CE1 3.65Å; V98-F182 HydrophobicContact CG1-CZ 4.34Å; V98-F182 HydrophobicContact CG2-CD1 3.9Å; V98-F182 HydrophobicContact CG2-CD2 4Å; V98-F182 HydrophobicContact CG2-CE1 3.49Å; V98-F182 VanDerWaalsContact CG2-CE1 3.49Å; V98-F182 HydrophobicContact CG2-CE2 3.61Å; V98-F182 HydrophobicContact CG2-CG 4.14Å; V98-F182 HydrophobicContact CG2-CZ 3.35Å; V98-F287 HydrophobicContact CG1-CZ 4.37Å
99G98.5Very high97.7Very high20 Ų2083.5 Ų83.521%0.20639%0.392CS..Hα-helixtrans-60.8-49.8173.500000112.8S67 T97 R102 H103S67-G99 PolarHBondContact O-N 3.39Å; T97-G99 PolarHBondContact O-N 3.37Å; T97-G99 PolarHBondContact OG1-N 3.34Å; G99-R102 PolarHBondContact O-N 3.45Å; G99-H103 PolarHBondContact O-N 3.33Å; G99-H103 VanDerWaalsContact O-N 3.11Å
100E98.7Very high97.9Very high113 Ų11378.2 Ų78.253%0.52837%0.372SS..Hα-helixtrans-62.4-43.3175.2-67.6178.4125.800111.7M96 T97 H103 L104M96-E100 WeakPolarHBondContact CA-OE2 3.31Å; M96-E100 HydrophobicContact CB-CB 4.16Å; M96-E100 VanDerWaalsContact CB-OE2 3.3Å; M96-E100 WeakPolarHBondContact CB-OE2 2.92Å; T97-E100 PolarHBondContact N-OE2 3.46Å; T97-E100 PolarHBondContact O-N 3.45Å; T97-E100 PolarHBondContact OG1-N 3.17Å; E100-H103 PolarHBondContact O-N 3.18Å; E100-L104 WeakPolarHBondContact O-CB 3.29Å; E100-L104 PolarHBondContact O-N 2.58Å
101Y98.7Very high98.1Very high0 Ų079 Ų790%038%0.376CS..Hα-helixtrans-63.8-41.7178.7-179.3-89.9000112.3I71 M96 T97 V98 L104 A105 I135 F182 G183 M184 F287I71-Y101 HydrophobicContact CD1-CD1 4.15Å; I71-Y101 HydrophobicContact CD1-CD2 3.81Å; I71-Y101 HydrophobicContact CD1-CG 3.57Å; M96-Y101 HydrophobicContact SD-CD2 3.83Å; M96-Y101 HydrophobicContact SD-CG 4.44Å; T97-Y101 WeakPolarHBondContact O-CB 3.26Å; T97-Y101 PolarHBondContact O-N 2.73Å; V98-Y101 PolarHBondContact O-N 3.15Å; Y101-L104 WeakPolarHBondContact O-CB 3.3Å; Y101-L104 PolarHBondContact O-N 2.85Å; Y101-A105 WeakPolarHBondContact O-CB 3.43Å; Y101-A105 PolarHBondContact O-N 3.32Å; Y101-I135 HydrophobicContact CE2-CG2 4.27Å; Y101-I135 PolarHBondContact OH-O 3.45Å; Y101-F182 HydrophobicContact CD1-CB 3.97Å; Y101-F182 HydrophobicContact CE1-CB 3.67Å; Y101-F182 VanDerWaalsContact CZ-O 3.25Å; Y101-F182 PolarHBondContact OH-O 3.22Å; Y101-G183 WeakPolarHBondContact CE1-O 3.3Å; Y101-G183 PolarHBondContact OH-O 3.31Å; Y101-M184 HydrophobicContact CD2-CE 4.15Å; Y101-M184 HydrophobicContact CE1-CE 4.39Å; Y101-M184 HydrophobicContact CE2-CE 3.5Å; Y101-M184 PolarHBondContact OH-N 3.27Å; Y101-F287 HydrophobicContact CD1-CD2 4.13Å; Y101-F287 AromaticContact CD1-CE2 4Å; Y101-F287 HydrophobicContact CD1-CE2 4Å; Y101-F287 HydrophobicContact CE1-CD2 4.16Å; Y101-F287 HydrophobicContact CE1-CE2 4.32Å
102R98.6Very high98.2Very high96 Ų9674.7 Ų74.736%0.36236%0.36SS..Hα-helixtrans-61.8-44.4174.4-179.3171.561-171.3-7.5111.6S67 V98 G99 L104 A105 N106 F287S67-R102 PolarHBondContact OG-NH2 3Å; V98-R102 VanDerWaalsContact O-CB 3.27Å; V98-R102 WeakPolarHBondContact O-CB 3.32Å; V98-R102 PolarHBondContact O-N 3.26Å; G99-R102 PolarHBondContact O-N 3.45Å; R102-L104 VanDerWaalsContact C-N 3.31Å; R102-L104 PolarHBondContact O-N 3.07Å; R102-A105 PolarHBondContact O-N 2.96Å; R102-N106 WeakPolarHBondContact O-CB 3.4Å; R102-N106 PolarHBondContact O-N 3.24Å; R102-F287 HydrophobicContact CB-CD2 3.97Å; R102-F287 HydrophobicContact CB-CE1 4.31Å; R102-F287 HydrophobicContact CB-CE2 3.65Å; R102-F287 HydrophobicContact CB-CG 4.44Å; R102-F287 HydrophobicContact CB-CZ 3.83Å; R102-F287 HydrophobicContact CG-CD1 3.91Å; R102-F287 HydrophobicContact CG-CD2 4.1Å; R102-F287 HydrophobicContact CG-CE1 3.82Å; R102-F287 HydrophobicContact CG-CE2 4.02Å; R102-F287 HydrophobicContact CG-CG 4.05Å; R102-F287 HydrophobicContact CG-CZ 3.88Å
103H98.5Very high98.2Very high149 Ų14969 Ų6969%0.6934%0.339SS*.Hα-helixtrans-62-39.8174.6-180-94.5000111.7G99 E100 S107G99-H103 PolarHBondContact O-N 3.33Å; G99-H103 VanDerWaalsContact O-N 3.11Å; E100-H103 PolarHBondContact O-N 3.18Å; H103-S107 PolarHBondContact O-N 2.73Å
104L98.5Very high98.2Very high48 Ų4871 Ų7125%0.25136%0.359SS..Hα-helixtrans-66.1-45.6176.1-173.461.7000112.5M96 E100 Y101 R102 N106 S107 Y110 I135 M184M96-L104 HydrophobicContact CE-CD2 4.45Å; M96-L104 HydrophobicContact SD-CD2 4.4Å; E100-L104 WeakPolarHBondContact O-CB 3.29Å; E100-L104 PolarHBondContact O-N 2.58Å; Y101-L104 WeakPolarHBondContact O-CB 3.3Å; Y101-L104 PolarHBondContact O-N 2.85Å; R102-L104 VanDerWaalsContact C-N 3.31Å; R102-L104 PolarHBondContact O-N 3.07Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 3.05Å; L104-S107 VanDerWaalsContact O-CB 3.3Å; L104-S107 WeakPolarHBondContact O-CB 3.18Å; L104-S107 PolarHBondContact O-N 2.96Å; L104-S107 PolarHBondContact O-OG 3.39Å; L104-Y110 HydrophobicContact CD1-CD2 3.87Å; L104-Y110 HydrophobicContact CD1-CE2 3.73Å; L104-Y110 HydrophobicContact CG-CD2 4.01Å; L104-Y110 HydrophobicContact CG-CE2 4.09Å; L104-I135 HydrophobicContact CD2-CD1 3.9Å; L104-M184 HydrophobicContact CD2-CE 4.47Å; L104-M184 HydrophobicContact CG-CE 4.43Å
105A98.6Very high98.2Very high2 Ų265.4 Ų65.42%0.01734%0.336CS..Hα-helixtrans-59.2-41177.900000111.9Y101 R102 S107 Y110 Q111 M184 F287Y101-A105 WeakPolarHBondContact O-CB 3.43Å; Y101-A105 PolarHBondContact O-N 3.32Å; R102-A105 PolarHBondContact O-N 2.96Å; A105-S107 VanDerWaalsContact C-N 3.31Å; A105-S107 PolarHBondContact O-N 3.47Å; A105-Y110 CarbonylContact O-C 3.24Å; A105-Y110 VanDerWaalsContact O-C 3.24Å; A105-Q111 VanDerWaalsContact O-CA 3.31Å; A105-Q111 WeakPolarHBondContact O-CA 3.5Å; A105-Q111 PolarHBondContact O-N 3.07Å; A105-Q111 VanDerWaalsContact O-N 3.1Å; A105-M184 HydrophobicContact CB-CB 3.62Å; A105-M184 HydrophobicContact CB-CE 4.12Å; A105-F287 HydrophobicContact CB-CB 3.95Å; A105-F287 HydrophobicContact CB-CD2 4.18Å; A105-F287 HydrophobicContact CB-CG 4.49Å
106N98.5Very high98.2Very high93 Ų9371.2 Ų71.250%0.49735%0.354SS..THydrogen-bonded Turntrans-85.21.4-179.9-65-11.2000113.7R102 L104R102-N106 WeakPolarHBondContact O-CB 3.4Å; R102-N106 PolarHBondContact O-N 3.24Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 3.05Å
107S98.4Very high98.2Very high32 Ų3273.4 Ų73.422%0.22437%0.367CS..SBendtrans-69.8151.8175.573.70000111.7H103 L104 A105 K109 Y110 Q111H103-S107 PolarHBondContact O-N 2.73Å; L104-S107 VanDerWaalsContact O-CB 3.3Å; L104-S107 WeakPolarHBondContact O-CB 3.18Å; L104-S107 PolarHBondContact O-N 2.96Å; L104-S107 PolarHBondContact O-OG 3.39Å; A105-S107 VanDerWaalsContact C-N 3.31Å; A105-S107 PolarHBondContact O-N 3.47Å; S107-K109 PolarHBondContact O-N 2.64Å; S107-Y110 PolarHBondContact O-N 2.9Å; S107-Q111 WeakPolarHBondContact O-CB 3.4Å; S107-Q111 PolarHBondContact O-N 2.92Å
108K97.1Very high98.1Very high196 Ų19675.8 Ų75.885%0.85238%0.375SS*.THydrogen-bonded Turntrans-49.7-22.7177.8-68.4-177.3179178.90115
109K96.6Very high98.1Very high131 Ų13181.2 Ų81.257%0.5740%0.4SS*.THydrogen-bonded Turntrans-80-34179.1-179.8171.2179.8170.30113.9S107S107-K109 PolarHBondContact O-N 2.64Å
110Y97.7Very high98.1Very high23 Ų2381.5 Ų81.59%0.0940%0.396CS..THydrogen-bonded Turntrans-120-12-172.2-62.5-69.9000114L104 A105 S107 M184 W185L104-Y110 HydrophobicContact CD1-CD2 3.87Å; L104-Y110 HydrophobicContact CD1-CE2 3.73Å; L104-Y110 HydrophobicContact CG-CD2 4.01Å; L104-Y110 HydrophobicContact CG-CE2 4.09Å; A105-Y110 CarbonylContact O-C 3.24Å; A105-Y110 VanDerWaalsContact O-C 3.24Å; S107-Y110 PolarHBondContact O-N 2.9Å; Y110-M184 HydrophobicContact CD1-SD 3.93Å; Y110-M184 HydrophobicContact CG-SD 3.9Å; Y110-W185 WeakPolarHBondContact O-CB 3.4Å
111Q97.8Very high98Very high95 Ų9576.1 Ų76.144%0.44437%0.371SS..SBendtrans-55.9151.9178.568.8-179.65.800112.5A105 S107A105-Q111 VanDerWaalsContact O-CA 3.31Å; A105-Q111 WeakPolarHBondContact O-CA 3.5Å; A105-Q111 PolarHBondContact O-N 3.07Å; A105-Q111 VanDerWaalsContact O-N 3.1Å; S107-Q111 WeakPolarHBondContact O-CB 3.4Å; S107-Q111 PolarHBondContact O-N 2.92Å
112T98.5Very high98Very high36 Ų3677 Ų7722%0.22138%0.376CS..PPolyproline II helixtrans-58.1132.1173.9-47.80000110.4L121 H285 G286T112-L121 HydrophobicContact CG2-CD1 3.92Å; T112-L121 HydrophobicContact CG2-CD2 4.19Å; T112-H285 WeakPolarHBondContact CB-O 3.49Å; T112-H285 WeakPolarHBondContact CG2-O 3.47Å; T112-H285 PolarHBondContact OG1-O 2.92Å; T112-G286 WeakPolarHBondContact OG1-CA 3.19Å
113P97.9Very high98Very high38 Ų3878.5 Ų78.525%0.24738%0.381CS..PPolyproline II helixtrans-72.6152.5178.830.1-36.1000110.3H115 L121 K124 W185P113-H115 PolarHBondContact O-N 3.33Å; P113-H115 PolarHBondContact O-ND1 2.92Å; P113-L121 HydrophobicContact CG-CD1 3.92Å; P113-K124 HydrophobicContact CB-CD 4.45Å; P113-K124 HydrophobicContact CG-CD 4.06Å; P113-W185 HydrophobicContact CG-CZ2 3.74Å
114P98.1Very high97.9Very high117 Ų11774 Ų7476%0.7636%0.36SS*.PPolyproline II helixtrans-53.2130167.9-25.234.5000110.9K124P114-K124 PolarHBondContact O-NZ 3.36Å
115H98.2Very high97.9Very high72 Ų7271.8 Ų71.833%0.33335%0.348SS..  trans-148.5154.4-176.660.6-82.9000109.7P113 D120 L121 K124P113-H115 PolarHBondContact O-N 3.33Å; P113-H115 PolarHBondContact O-ND1 2.92Å; H115-D120 WeakPolarHBondContact CA-OD2 3.27Å; H115-D120 HydrophobicContact CB-CB 4.41Å; H115-L121 HydrophobicContact CB-CB 4.18Å; H115-L121 HydrophobicContact CB-CD1 4.18Å; H115-K124 HydrophobicContact CB-CD 4.31Å
116Q97.4Very high97.8Very high175 Ų17573.6 Ų73.682%0.81835%0.354SS*.SBendtrans-86.3-34.2-177.4-64.2179.50.300113.2D120Q116-D120 HydrophobicContact CB-CB 4.4Å; Q116-D120 PolarHBondContact N-OD2 3.16Å
117N98.1Very high97.7Very high75 Ų7577.2 Ų77.240%0.40137%0.366SS..SBendtrans-164.3177.2-17756.830.9000109.9E119 D120 L121N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 2.9Å; N117-E119 PolarHBondContact OD1-N 3.36Å; N117-D120 WeakPolarHBondContact O-CB 3.19Å; N117-D120 PolarHBondContact O-N 3.2Å; N117-D120 VanDerWaalsContact O-N 3.12Å; N117-D120 WeakPolarHBondContact OD1-CB 3.32Å; N117-D120 PolarHBondContact OD1-N 3.46Å; N117-L121 PolarHBondContact O-N 3.36Å
118F97.7Very high97.3Very high81 Ų8178 Ų7836%0.35537%0.368SS..Hα-helixtrans-61.1-32.7-179-59.1-34.5000113.8L121 E122 P209 T265 H285F118-L121 PolarHBondContact O-N 3.13Å; F118-E122 WeakPolarHBondContact O-CB 3.28Å; F118-E122 PolarHBondContact O-N 3.07Å; F118-P209 HydrophobicContact CE1-CG 4.13Å; F118-P209 HydrophobicContact CZ-CG 4.22Å; F118-T265 HydrophobicContact CD2-CG2 4.18Å; F118-T265 HydrophobicContact CE2-CG2 4Å; F118-T265 HydrophobicContact CZ-CG2 4.18Å; F118-H285 AromaticContact CD1-CE1 3.47Å; F118-H285 VanDerWaalsContact CD1-CE1 3.47Å; F118-H285 WeakPolarHBondContact CD1-CE1 3.38Å; F118-H285 AromaticContact CD1-ND1 3.73Å; F118-H285 AromaticContact CE1-CE1 3.9Å; F118-H285 AromaticContact CE1-ND1 3.87Å
119E97.6Very high96.9Very high114 Ų11468.8 Ų68.853%0.53333%0.328SS..Hα-helixtrans-66.9-38.9174.6-58.8-173.1165.400112.1N117 L121 E122 R123N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 2.9Å; N117-E119 PolarHBondContact OD1-N 3.36Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-E122 PolarHBondContact O-N 3.42Å; E119-R123 VanDerWaalsContact O-CG 3.32Å; E119-R123 WeakPolarHBondContact O-CG 3.19Å; E119-R123 PolarHBondContact O-N 3.35Å; E119-R123 IonicContact OE2-NH1 2.65Å
120D98.3Very high96.5Very high25 Ų2565.7 Ų65.713%0.13432%0.316CS..Hα-helixtrans-66.1-38.2175.5-165.744.3000111.8H115 Q116 N117 R123 K124H115-D120 WeakPolarHBondContact CA-OD2 3.27Å; H115-D120 HydrophobicContact CB-CB 4.41Å; Q116-D120 HydrophobicContact CB-CB 4.4Å; Q116-D120 PolarHBondContact N-OD2 3.16Å; N117-D120 WeakPolarHBondContact O-CB 3.19Å; N117-D120 PolarHBondContact O-N 3.2Å; N117-D120 VanDerWaalsContact O-N 3.12Å; N117-D120 WeakPolarHBondContact OD1-CB 3.32Å; N117-D120 PolarHBondContact OD1-N 3.46Å; D120-R123 VanDerWaalsContact CB-NH2 3.3Å; D120-R123 IonicContact OD1-CZ 3.52Å; D120-R123 IonicContact OD1-NE 2.82Å; D120-R123 IonicContact OD1-NH2 3.4Å; D120-R123 PolarHBondContact OD1-NH2 2.8Å; D120-K124 VanDerWaalsContact O-CE 3.3Å; D120-K124 WeakPolarHBondContact O-CE 3.49Å; D120-K124 VanDerWaalsContact O-CG 3.26Å; D120-K124 WeakPolarHBondContact O-CG 3.17Å; D120-K124 PolarHBondContact O-N 2.96Å; D120-K124 IonicContact OD1-NZ 3.89Å; D120-K124 WeakPolarHBondContact OD2-CE 3.38Å; D120-K124 IonicContact OD2-NZ 2.93Å; D120-K124 PolarHBondContact OD2-NZ 2.91Å
121L98.3Very high96Very high0 Ų071.5 Ų71.50%034%0.339CS..Hα-helixtrans-69-40.6174.2-166.462.9000112T112 P113 H115 N117 F118 E119 K124 Y125 W185 H285T112-L121 HydrophobicContact CG2-CD1 3.92Å; T112-L121 HydrophobicContact CG2-CD2 4.19Å; P113-L121 HydrophobicContact CG-CD1 3.92Å; H115-L121 HydrophobicContact CB-CB 4.18Å; H115-L121 HydrophobicContact CB-CD1 4.18Å; N117-L121 PolarHBondContact O-N 3.36Å; F118-L121 PolarHBondContact O-N 3.13Å; E119-L121 VanDerWaalsContact C-N 3.33Å; L121-K124 CarbonylContact O-C 3.53Å; L121-K124 WeakPolarHBondContact O-CB 3.32Å; L121-K124 PolarHBondContact O-N 3.16Å; L121-Y125 PolarHBondContact O-N 3.16Å; L121-W185 HydrophobicContact CD1-CE3 4.11Å; L121-W185 HydrophobicContact CD1-CH2 3.36Å; L121-W185 HydrophobicContact CD1-CZ2 3.98Å; L121-W185 HydrophobicContact CD1-CZ3 3.45Å; L121-W185 VanDerWaalsContact CD1-CZ3 3.45Å; L121-W185 HydrophobicContact CD2-CZ3 4Å; L121-W185 HydrophobicContact CG-CE3 4.41Å; L121-W185 HydrophobicContact CG-CH2 3.75Å; L121-W185 HydrophobicContact CG-CZ3 3.53Å; L121-H285 HydrophobicContact CD2-CB 3.81Å; L121-H285 WeakPolarHBondContact CD2-ND1 3.38Å
122E98.4Very high95.4Very high20 Ų2071.4 Ų71.49%0.09334%0.342CS..Hα-helixtrans-58.9-47.2173.6-172.9-163.3-127.300111.6F118 E119 K124 Y125 W126 Y213 R263 F283F118-E122 WeakPolarHBondContact O-CB 3.28Å; F118-E122 PolarHBondContact O-N 3.07Å; E119-E122 PolarHBondContact O-N 3.42Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.21Å; E122-Y125 WeakPolarHBondContact O-CB 3.42Å; E122-Y125 PolarHBondContact O-N 3.34Å; E122-W126 PolarHBondContact O-N 3.39Å; E122-Y213 VanDerWaalsContact CG-OH 3.3Å; E122-Y213 WeakPolarHBondContact CG-OH 3.49Å; E122-Y213 WeakPolarHBondContact OE1-CE1 3.43Å; E122-Y213 PolarHBondContact OE1-OH 2.88Å; E122-Y213 VanDerWaalsContact OE1-OH 3.05Å; E122-R263 IonicContact OE1-CZ 3.79Å; E122-R263 IonicContact OE1-NE 3.95Å; E122-R263 IonicContact OE1-NH1 2.83Å; E122-R263 PolarHBondContact OE1-NH1 2.82Å; E122-R263 IonicContact OE1-NH2 2.75Å; E122-R263 PolarHBondContact OE1-NH2 3.44Å; E122-R263 IonicContact OE2-CZ 2.98Å; E122-R263 IonicContact OE2-NH1 3.95Å; E122-R263 PolarHBondContact OE2-NH1 2.69Å; E122-R263 IonicContact OE2-NH2 3.41Å; E122-F283 HydrophobicContact CB-CZ 4.32Å; E122-F283 HydrophobicContact CG-CE1 4.4Å; E122-F283 HydrophobicContact CG-CZ 4.48Å
123R97.7Very high95.3Very high126 Ų12671 Ų7148%0.47534%0.34SS..Hα-helixtrans-58.9-42.7174.3-71.9-176.1-56.3-101.55.7111.4E119 D120 K127E119-R123 VanDerWaalsContact O-CG 3.32Å; E119-R123 WeakPolarHBondContact O-CG 3.19Å; E119-R123 PolarHBondContact O-N 3.35Å; E119-R123 IonicContact OE2-NH1 2.65Å; D120-R123 VanDerWaalsContact CB-NH2 3.3Å; D120-R123 IonicContact OD1-CZ 3.52Å; D120-R123 IonicContact OD1-NE 2.82Å; D120-R123 IonicContact OD1-NH2 3.4Å; D120-R123 PolarHBondContact OD1-NH2 2.8Å; R123-K127 WeakPolarHBondContact O-CB 3.48Å; R123-K127 PolarHBondContact O-N 3.16Å
124K97.6Very high95.3Very high54 Ų5469.3 Ų69.324%0.23533%0.329CS..Hα-helixtrans-66.8-34.5176.1-72169.1-139.6-1210112.7P113 P114 H115 D120 L121 E122 N128 W185P113-K124 HydrophobicContact CB-CD 4.45Å; P113-K124 HydrophobicContact CG-CD 4.06Å; P114-K124 PolarHBondContact O-NZ 3.36Å; H115-K124 HydrophobicContact CB-CD 4.31Å; D120-K124 VanDerWaalsContact O-CE 3.3Å; D120-K124 WeakPolarHBondContact O-CE 3.49Å; D120-K124 VanDerWaalsContact O-CG 3.26Å; D120-K124 WeakPolarHBondContact O-CG 3.17Å; D120-K124 PolarHBondContact O-N 2.96Å; D120-K124 IonicContact OD1-NZ 3.89Å; D120-K124 WeakPolarHBondContact OD2-CE 3.38Å; D120-K124 IonicContact OD2-NZ 2.93Å; D120-K124 PolarHBondContact OD2-NZ 2.91Å; L121-K124 CarbonylContact O-C 3.53Å; L121-K124 WeakPolarHBondContact O-CB 3.32Å; L121-K124 PolarHBondContact O-N 3.16Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.21Å; K124-N128 VanDerWaalsContact O-CB 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.26Å; K124-N128 PolarHBondContact O-N 3.45Å; K124-N128 PolarHBondContact O-ND2 3.09Å; K124-W185 HydrophobicContact CB-CH2 4.46Å; K124-W185 HydrophobicContact CB-CZ2 4.4Å
125Y97.9Very high95.3Very high3 Ų364 Ų641%0.01229%0.294CS..Hα-helixtrans-62.5-59.5175.1168.9-98.4000109.9L121 E122 K127 N128 R129 K186 T188 F283L121-Y125 PolarHBondContact O-N 3.16Å; E122-Y125 WeakPolarHBondContact O-CB 3.42Å; E122-Y125 PolarHBondContact O-N 3.34Å; Y125-K127 PolarHBondContact O-N 2.99Å; Y125-N128 CarbonylContact O-C 3.56Å; Y125-N128 PolarHBondContact O-N 2.81Å; Y125-R129 WeakPolarHBondContact O-CA 3.37Å; Y125-R129 PolarHBondContact O-N 2.59Å; Y125-K186 HydrophobicContact CD2-CB 4.25Å; Y125-K186 HydrophobicContact CD2-CG 4.25Å; Y125-K186 HydrophobicContact CE2-CB 4.32Å; Y125-T188 WeakPolarHBondContact OH-CG2 3.48Å; Y125-T188 PolarHBondContact OH-OG1 3.21Å; Y125-T188 VanDerWaalsContact OH-OG1 3.11Å; Y125-F283 AromaticContact CD1-CD1 3.61Å; Y125-F283 HydrophobicContact CD1-CD1 3.61Å; Y125-F283 AromaticContact CD1-CE1 3.88Å; Y125-F283 HydrophobicContact CD1-CE1 3.88Å; Y125-F283 AromaticContact CD1-CG 3.98Å; Y125-F283 HydrophobicContact CD1-CG 3.98Å; Y125-F283 HydrophobicContact CD1-CZ 4.46Å; Y125-F283 HydrophobicContact CD2-CB 3.77Å; Y125-F283 HydrophobicContact CD2-CD1 4.12Å; Y125-F283 AromaticContact CD2-CD2 3.78Å; Y125-F283 HydrophobicContact CD2-CD2 3.78Å; Y125-F283 HydrophobicContact CD2-CE2 4.44Å; Y125-F283 AromaticContact CD2-CG 3.6Å; Y125-F283 HydrophobicContact CD2-CG 3.6Å; Y125-F283 HydrophobicContact CE1-CB 4.28Å; Y125-F283 AromaticContact CE1-CD1 3.76Å; Y125-F283 HydrophobicContact CE1-CD1 3.76Å; Y125-F283 HydrophobicContact CE1-CE1 4.43Å; Y125-F283 HydrophobicContact CE1-CG 4.12Å; Y125-F283 HydrophobicContact CE2-CB 3.42Å; Y125-F283 VanDerWaalsContact CE2-CB 3.42Å; Y125-F283 HydrophobicContact CE2-CD1 4.26Å; Y125-F283 HydrophobicContact CE2-CD2 4.34Å; Y125-F283 AromaticContact CE2-CG 3.76Å; Y125-F283 HydrophobicContact CE2-CG 3.76Å; Y125-F283 HydrophobicContact CG-CB 4.35Å; Y125-F283 AromaticContact CG-CD1 3.82Å; Y125-F283 HydrophobicContact CG-CD1 3.82Å; Y125-F283 AromaticContact CG-CD2 3.91Å; Y125-F283 HydrophobicContact CG-CD2 3.91Å; Y125-F283 HydrophobicContact CG-CE1 4.08Å; Y125-F283 HydrophobicContact CG-CE2 4.17Å; Y125-F283 AromaticContact CG-CG 3.74Å; Y125-F283 HydrophobicContact CG-CG 3.74Å; Y125-F283 HydrophobicContact CG-CZ 4.25Å
126W97.1Very high95.4Very high39 Ų3961.3 Ų61.315%0.14828%0.281CS..Hα-helixtrans-66.1-38.9-176.8-71.7113.8000113.4F86 E122 N128 Y213 P251F86-W126 HydrophobicContact CD2-CZ3 4.27Å; F86-W126 HydrophobicContact CE2-CE3 4.04Å; F86-W126 HydrophobicContact CE2-CZ3 4.18Å; E122-W126 PolarHBondContact O-N 3.39Å; W126-N128 PolarHBondContact O-N 2.95Å; W126-Y213 HydrophobicContact CZ2-CD2 4.46Å; W126-Y213 AromaticContact CZ2-CE2 3.74Å; W126-Y213 HydrophobicContact CZ2-CE2 3.74Å; W126-Y213 AromaticContact NE1-CZ 3.69Å; W126-Y213 PolarHBondContact NE1-OH 3.05Å; W126-P251 VanDerWaalsContact CZ2-CD 3.45Å; W126-P251 HydrophobicContact CZ2-CG 4.45Å; W126-P251 VanDerWaalsContact NE1-CD 3.3Å
127K94.6Very high95.4Very high169 Ų16953 Ų5374%0.73524%0.242SC*.Hα-helixtrans-60.9-33.5175.8-178173.7179.3175.90112.5R123 Y125R123-K127 WeakPolarHBondContact O-CB 3.48Å; R123-K127 PolarHBondContact O-N 3.16Å; Y125-K127 PolarHBondContact O-N 2.99Å
128N91.3Very high95.2Very high50 Ų5050 Ų5027%0.26723%0.228SC..Hα-helixtrans-118.213.9-170.1-53.7-61.7000114.3K124 Y125 W126 I130 Y131 K186K124-N128 VanDerWaalsContact O-CB 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.26Å; K124-N128 PolarHBondContact O-N 3.45Å; K124-N128 PolarHBondContact O-ND2 3.09Å; Y125-N128 CarbonylContact O-C 3.56Å; Y125-N128 PolarHBondContact O-N 2.81Å; W126-N128 PolarHBondContact O-N 2.95Å; N128-I130 VanDerWaalsContact C-N 3.26Å; N128-I130 PolarHBondContact O-N 2.89Å; N128-Y131 HydrophobicContact CB-CD2 4.3Å; N128-Y131 PolarHBondContact O-N 3.49Å; N128-Y131 VanDerWaalsContact O-O 3.12Å; N128-K186 PolarHBondContact O-NZ 3.46Å
129R87.8Confident94.9Very high2 Ų250.3 Ų50.31%0.00823%0.234CC..THydrogen-bonded Turntrans-59.7-33.7-172178.256.1-173.194.3-4.1114Q77 A79 Q88 Y125 T188 L248Q77-R129 PolarHBondContact O-NH1 2.84Å; A79-R129 HydrophobicContact CB-CG 4.43Å; Q88-R129 VanDerWaalsContact OE1-NH2 3.11Å; Y125-R129 WeakPolarHBondContact O-CA 3.37Å; Y125-R129 PolarHBondContact O-N 2.59Å; R129-T188 PolarHBondContact NE-OG1 2.89Å; R129-T188 PolarHBondContact NH2-OG1 3.46Å; R129-L248 HydrophobicContact CG-CD1 4.3Å
130I87.9Confident94.8Very high65 Ų6546.1 Ų46.133%0.33322%0.215SC..THydrogen-bonded Turntrans-75.3-21.9176.957.9172.3000113.4F86 N128F86-I130 HydrophobicContact CD1-CG2 3.51Å; F86-I130 HydrophobicContact CE1-CG2 3.47Å; F86-I130 VanDerWaalsContact CE1-CG2 3.47Å; N128-I130 VanDerWaalsContact C-N 3.26Å; N128-I130 PolarHBondContact O-N 2.89Å
131Y87.1Confident94.5Very high145 Ų14548.4 Ų48.457%0.56923%0.233SC*.SBendtrans-92.3123.5-178.3-56.1-58.2000110.7N128 K186N128-Y131 HydrophobicContact CB-CD2 4.3Å; N128-Y131 PolarHBondContact O-N 3.49Å; N128-Y131 VanDerWaalsContact O-O 3.12Å; Y131-K186 PolarHBondContact O-NZ 3.37Å
132N87Confident94.2Very high93 Ų9349.8 Ų49.850%0.49725%0.247SC..SBendtrans64.8125.8-168.7-53.9-23.4000113P134N132-P134 VanDerWaalsContact O-CD 3.3Å; N132-P134 WeakPolarHBondContact O-CD 3.28Å
133S96Very high94.1Very high27 Ų2751.1 Ų51.119%0.18926%0.258CS..  trans-94.9103.7174.7-440000108.9Q76Q76-S133 PolarHBondContact NE2-O 3.04Å; Q76-S133 VanDerWaalsContact NE2-O 3.08Å
134P97.8Very high94.1Very high3 Ų345.4 Ų45.42%0.01924%0.237CC..  trans-67.5167.2178.933.4-38.5000110.5Q76 Q77 N132 M184 W185 K186 T187Q76-P134 CarbonylContact C-O 3.55Å; Q76-P134 WeakPolarHBondContact CA-O 3.46Å; Q77-P134 HydrophobicContact CB-CG 4.44Å; Q77-P134 PolarHBondContact N-O 2.86Å; N132-P134 VanDerWaalsContact O-CD 3.3Å; N132-P134 WeakPolarHBondContact O-CD 3.28Å; P134-M184 HydrophobicContact CB-CG 4.1Å; P134-M184 HydrophobicContact CB-SD 4.16Å; P134-W185 WeakPolarHBondContact CB-O 3.41Å; P134-K186 HydrophobicContact CG-CB 4.02Å; P134-T187 HydrophobicContact CB-CG2 3.86Å; P134-T187 HydrophobicContact CG-CG2 4.19Å
135I98.6Very high94Very high5 Ų543.6 Ų43.63%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-112.3133.6177.1-60.2172.7000107.4P74 L75 Q76 K93 Y101 L104 M184 T187P74-I135 HydrophobicContact CB-CG2 3.51Å; L75-I135 CarbonylContact O-C 3.58Å; L75-I135 WeakPolarHBondContact O-CA 3.46Å; Q76-I135 HydrophobicContact CB-CG1 4.01Å; Q76-I135 HydrophobicContact CG-CG1 4.14Å; K93-I135 HydrophobicContact CG-CD1 4.26Å; K93-I135 HydrophobicContact CG-CG1 4.46Å; K93-I135 HydrophobicContact CG-CG2 4.32Å; Y101-I135 HydrophobicContact CE2-CG2 4.27Å; Y101-I135 PolarHBondContact OH-O 3.45Å; L104-I135 HydrophobicContact CD2-CD1 3.9Å; I135-M184 HydrophobicContact CB-CE 4.07Å; I135-M184 HydrophobicContact CB-SD 4.47Å; I135-M184 WeakPolarHBondContact O-CE 3.25Å; I135-M184 VanDerWaalsContact O-CG 3.3Å; I135-M184 WeakPolarHBondContact O-CG 3.41Å; I135-T187 WeakPolarHBondContact O-CG2 3.34Å
136Y98.4Very high93.9Very high16 Ų1646.2 Ų46.26%0.06324%0.244CC..EExtended strand (participates in β ladder)trans-117.7128.4179.8-162.2-157000109.7L75 A138 Y181 F182 T187 N284L75-Y136 PolarHBondContact N-O 3.29Å; L75-Y136 PolarHBondContact O-N 3.31Å; Y136-A138 HydrophobicContact CD1-CB 3.82Å; Y136-A138 HydrophobicContact CE1-CB 4.02Å; Y136-A138 HydrophobicContact CG-CB 4.29Å; Y136-A138 PolarHBondContact O-N 2.96Å; Y136-Y181 HydrophobicContact CE1-CD1 4.44Å; Y136-F182 WeakPolarHBondContact CD2-O 3.21Å; Y136-T187 HydrophobicContact CD2-CG2 3.85Å; Y136-T187 HydrophobicContact CG-CG2 3.96Å; Y136-N284 WeakPolarHBondContact CE2-ND2 3.46Å
137G97.8Very high93.6Very high0 Ų052.4 Ų52.40%027%0.274CS..EExtended strand (participates in β ladder)trans-90.877.4170.700000109.6Y181 F182G137-Y181 CarbonylContact O-C 3.6Å; G137-Y181 WeakPolarHBondContact O-CA 3.23Å; G137-F182 PolarHBondContact N-O 3.41Å; G137-F182 VanDerWaalsContact N-O 3.11Å; G137-F182 PolarHBondContact O-N 2.67Å
138A94.5Very high93.6Very high13 Ų1351 Ų5111%0.10728%0.275CS..EExtended strand (participates in β ladder)trans-98.1164.5-178.300000111.9Y136 I140 Y181Y136-A138 HydrophobicContact CD1-CB 3.82Å; Y136-A138 HydrophobicContact CE1-CB 4.02Å; Y136-A138 HydrophobicContact CG-CB 4.29Å; Y136-A138 PolarHBondContact O-N 2.96Å; A138-I140 VanDerWaalsContact C-N 3.34Å; A138-I140 PolarHBondContact O-N 3.34Å; A138-Y181 HydrophobicContact CB-CD1 3.8Å; A138-Y181 HydrophobicContact CB-CE1 4.11Å
139D92.2Very high93.7Very high88 Ų8849.5 Ų49.547%0.47127%0.267SS..EExtended strand (participates in β ladder)trans58.640166.8-39.7-38.2000113.6Y181D139-Y181 VanDerWaalsContact OD1-CE1 3.28Å; D139-Y181 WeakPolarHBondContact OD1-CE1 3.49Å
140I94.6Very high93.9Very high25 Ų2556.6 Ų56.613%0.12830%0.298CS..EExtended strand (participates in β ladder)trans-95.5109.7179.4-56.1157.3000108.8I71 A138 G142 Y179 L180 F182I71-I140 HydrophobicContact CB-CD1 4.24Å; I71-I140 HydrophobicContact CG1-CD1 3.83Å; I71-I140 HydrophobicContact CG2-CD1 3.99Å; A138-I140 VanDerWaalsContact C-N 3.34Å; A138-I140 PolarHBondContact O-N 3.34Å; I140-G142 PolarHBondContact O-N 3.04Å; I140-Y179 CarbonylContact O-C 3.55Å; I140-Y179 WeakPolarHBondContact O-CA 3.37Å; I140-L180 HydrophobicContact CB-CB 4.25Å; I140-L180 PolarHBondContact N-O 3.2Å; I140-L180 PolarHBondContact O-N 3.26Å; I140-F182 HydrophobicContact CD1-CD2 3.5Å; I140-F182 VanDerWaalsContact CD1-CD2 3.5Å; I140-F182 HydrophobicContact CD1-CE2 3.72Å
141S92.3Very high94.3Very high73 Ų7355.7 Ų55.751%0.5129%0.293SS..EExtended strand (participates in β ladder)trans-58.9125.5180-450000111.7Y179S141-Y179 WeakPolarHBondContact OG-CE1 3.49Å
142G92.2Very high94.7Very high29 Ų2949.1 Ų49.130%0.29927%0.267SS..  trans151.9170.1177.100000113.5I140 P178I140-G142 PolarHBondContact O-N 3.04Å; G142-P178 PolarHBondContact N-O 3.27Å; G142-P178 CarbonylContact O-C 3.52Å
143S95.6Very high95.1Very high48 Ų4845 Ų4534%0.33625%0.245SC..  trans-127.3148.1175-171.60000111.1F145 E291S143-F145 PolarHBondContact OG-N 3.35Å; S143-E291 WeakPolarHBondContact CA-OE1 3.3Å; S143-E291 VanDerWaalsContact CA-OE2 3.25Å; S143-E291 WeakPolarHBondContact CA-OE2 3.46Å; S143-E291 VanDerWaalsContact CB-OE1 3.23Å; S143-E291 WeakPolarHBondContact CB-OE1 3.47Å; S143-E291 VanDerWaalsContact OG-CD 3.25Å; S143-E291 PolarHBondContact OG-OE1 2.81Å; S143-E291 PolarHBondContact OG-OE2 3.24Å
144L97.5Very high94.9Very high6 Ų643.7 Ų43.73%0.03124%0.236CC..  trans-104.60.7170-67.8-178.8000112.6R60 Y63 I66 I69 L180 C289 E291R60-L144 VanDerWaalsContact CD-O 3.24Å; R60-L144 WeakPolarHBondContact CD-O 3.46Å; R60-L144 PolarHBondContact NH1-O 3.05Å; Y63-L144 HydrophobicContact CE1-CD1 4.38Å; I66-L144 HydrophobicContact CG2-CD1 4.47Å; I66-L144 HydrophobicContact CG2-CD2 3.82Å; I69-L144 HydrophobicContact CD1-CD2 3.69Å; L144-L180 HydrophobicContact CB-CD2 4.46Å; L144-L180 HydrophobicContact CD1-CD1 4.45Å; L144-L180 HydrophobicContact CD1-CD2 4.14Å; L144-L180 HydrophobicContact CD2-CD1 4.2Å; L144-L180 HydrophobicContact CG-CD1 3.92Å; L144-L180 HydrophobicContact CG-CD2 3.79Å; L144-C289 VanDerWaalsContact CD1-SG 3.55Å; L144-E291 PolarHBondContact N-OE2 2.85Å
145F96.7Very high94.4Very high16 Ų1644.8 Ų44.87%0.0725%0.247CC..SBendtrans-68.9139173-73.5-107.7000110.6W57 A59 S143 T149 W152 N153 L154 Y203 H205 F271 E291W57-F145 AromaticContact CH2-CE1 3.89Å; W57-F145 HydrophobicContact CH2-CE1 3.89Å; W57-F145 AromaticContact CZ2-CE1 3.83Å; W57-F145 HydrophobicContact CZ2-CE1 3.83Å; A59-F145 HydrophobicContact CB-CD1 3.72Å; A59-F145 HydrophobicContact CB-CE1 3.63Å; A59-F145 HydrophobicContact CB-CG 4.26Å; A59-F145 HydrophobicContact CB-CZ 4.05Å; S143-F145 PolarHBondContact OG-N 3.35Å; F145-T149 HydrophobicContact CD1-CG2 4.01Å; F145-W152 VanDerWaalsContact CE1-O 3.28Å; F145-W152 WeakPolarHBondContact CE1-O 3.07Å; F145-N153 HydrophobicContact CD1-CB 4.23Å; F145-L154 HydrophobicContact CE2-CB 4.08Å; F145-L154 HydrophobicContact CE2-CD1 4.21Å; F145-L154 HydrophobicContact CE2-CG 3.72Å; F145-L154 HydrophobicContact CZ-CD1 4.46Å; F145-L154 HydrophobicContact CZ-CG 3.81Å; F145-Y203 HydrophobicContact CE2-CD1 4.14Å; F145-Y203 AromaticContact CZ-CD1 3.8Å; F145-Y203 HydrophobicContact CZ-CD1 3.8Å; F145-Y203 HydrophobicContact CZ-CE1 4.44Å; F145-Y203 HydrophobicContact CZ-CG 4.04Å; F145-H205 AromaticContact CD2-CE1 3.67Å; F145-H205 AromaticContact CD2-NE2 3.84Å; F145-H205 AromaticContact CE2-CE1 3.51Å; F145-H205 AromaticContact CE2-NE2 3.46Å; F145-H205 WeakPolarHBondContact CE2-NE2 3.13Å; F145-F271 HydrophobicContact CZ-CE1 4.33Å; F145-F271 HydrophobicContact CZ-CZ 4.39Å; F145-E291 WeakPolarHBondContact CD2-OE1 3.15Å; F145-E291 WeakPolarHBondContact CD2-OE2 3.36Å; F145-E291 HydrophobicContact CE2-CB 4.49Å
146D95.4Very high93.8Very high58 Ų5851.3 Ų51.331%0.3128%0.277SS..  trans-68.6142.7171.3-75.8-24.2000109.7A59 R60 E61 N148 T149A59-D146 PolarHBondContact O-N 3.44Å; R60-D146 WeakPolarHBondContact CA-OD2 3.31Å; R60-D146 HydrophobicContact CB-CB 4.26Å; R60-D146 VanDerWaalsContact CB-CG 3.45Å; R60-D146 WeakPolarHBondContact CB-OD2 3.33Å; E61-D146 PolarHBondContact N-OD2 3.45Å; D146-N148 PolarHBondContact O-N 3.42Å; D146-T149 WeakPolarHBondContact O-CB 3.23Å; D146-T149 PolarHBondContact O-N 3.13Å; D146-T149 PolarHBondContact O-OG1 2.98Å
147E90.6Very high92.9Very high169 Ų16951.4 Ų51.479%0.7928%0.279SS*.THydrogen-bonded Turntrans-56-25.6179.9-62.1179.5-179.600113.1K150E147-K150 PolarHBondContact O-NZ 3.1Å
148N93.5Very high91.5Very high140 Ų14053.6 Ų53.675%0.74930%0.301SS*.THydrogen-bonded Turntrans-79.5-18.2178.2-68.4-42.3000113.6D146 K150D146-N148 PolarHBondContact O-N 3.42Å; N148-K150 WeakPolarHBondContact O-CE 3.4Å; N148-K150 WeakPolarHBondContact O-CG 3.17Å; N148-K150 PolarHBondContact O-N 2.84Å
149T94.9Very high90.3Very high18 Ų1853.4 Ų53.411%0.1130%0.299CS..  trans-71.4113.2177.7-58.90000109.6W57 A59 F145 D146 N153W57-T149 HydrophobicContact CZ2-CG2 4.09Å; A59-T149 PolarHBondContact O-OG1 3.2Å; F145-T149 HydrophobicContact CD1-CG2 4.01Å; D146-T149 WeakPolarHBondContact O-CB 3.23Å; D146-T149 PolarHBondContact O-N 3.13Å; D146-T149 PolarHBondContact O-OG1 2.98Å; T149-N153 WeakPolarHBondContact O-CB 3.37Å; T149-N153 PolarHBondContact O-ND2 3.32Å
150K92.3Very high89Confident151 Ų15150.4 Ų50.466%0.65728%0.283SS*.  trans-100.2-37.5-175.6-54.7-48.6177.6-169.90113.7E147 N148E147-K150 PolarHBondContact O-NZ 3.1Å; N148-K150 WeakPolarHBondContact O-CE 3.4Å; N148-K150 WeakPolarHBondContact O-CG 3.17Å; N148-K150 PolarHBondContact O-N 2.84Å
151Q95.3Very high87.5Confident46 Ų4649.4 Ų49.422%0.21528%0.277CS..THydrogen-bonded Turntrans-74.3129.2173.7-58.992.1-1200110.6F28 N29 W57 N153F28-Q151 HydrophobicContact CD1-CB 3.73Å; F28-Q151 HydrophobicContact CD1-CG 4.28Å; F28-Q151 HydrophobicContact CE1-CB 4Å; F28-Q151 WeakPolarHBondContact O-CB 3.5Å; N29-Q151 WeakPolarHBondContact OD1-CG 3.37Å; N29-Q151 PolarHBondContact OD1-NE2 3.11Å; W57-Q151 PolarHBondContact NE1-O 3.06Å; Q151-N153 PolarHBondContact O-N 3.15Å; Q151-N153 VanDerWaalsContact O-N 3.14Å
152W95.3Very high86.3Confident7 Ų747.4 Ų47.43%0.02726%0.261CS..THydrogen-bonded Turntrans54.434.6167.2-67.653.7000114.3F28 F31 Y34 M38 I51 F145 L154 I201 F271F28-W152 HydrophobicContact CD1-CG 4.43Å; F28-W152 AromaticContact CD2-CD1 3.88Å; F28-W152 HydrophobicContact CD2-CD2 4.03Å; F28-W152 AromaticContact CD2-CE2 3.58Å; F28-W152 HydrophobicContact CD2-CG 4.22Å; F28-W152 AromaticContact CD2-CZ2 4Å; F28-W152 HydrophobicContact CD2-CZ2 4Å; F28-W152 AromaticContact CD2-NE1 3.5Å; F28-W152 HydrophobicContact CE1-CB 3.95Å; F28-W152 AromaticContact CE1-CD1 3.85Å; F28-W152 HydrophobicContact CE1-CD2 4.39Å; F28-W152 AromaticContact CE1-CG 3.81Å; F28-W152 HydrophobicContact CE1-CG 3.81Å; F28-W152 HydrophobicContact CE2-CB 4.4Å; F28-W152 AromaticContact CE2-CD1 3.73Å; F28-W152 AromaticContact CE2-CD2 3.29Å; F28-W152 HydrophobicContact CE2-CD2 3.29Å; F28-W152 AromaticContact CE2-CE2 3.32Å; F28-W152 AromaticContact CE2-CE3 3.75Å; F28-W152 HydrophobicContact CE2-CE3 3.75Å; F28-W152 AromaticContact CE2-CG 3.6Å; F28-W152 HydrophobicContact CE2-CG 3.6Å; F28-W152 HydrophobicContact CE2-CH2 4.26Å; F28-W152 AromaticContact CE2-CZ2 3.81Å; F28-W152 HydrophobicContact CE2-CZ2 3.81Å; F28-W152 HydrophobicContact CE2-CZ3 4.22Å; F28-W152 AromaticContact CE2-NE1 3.59Å; F28-W152 AromaticContact CG-NE1 3.93Å; F28-W152 HydrophobicContact CZ-CB 3.67Å; F28-W152 AromaticContact CZ-CD1 3.7Å; F28-W152 AromaticContact CZ-CD2 3.5Å; F28-W152 HydrophobicContact CZ-CD2 3.5Å; F28-W152 AromaticContact CZ-CE2 3.97Å; F28-W152 AromaticContact CZ-CE3 3.99Å; F28-W152 HydrophobicContact CZ-CE3 3.99Å; F28-W152 AromaticContact CZ-CG 3.35Å; F28-W152 HydrophobicContact CZ-CG 3.35Å; F28-W152 PolarHBondContact O-NE1 3.34Å; F28-W152 VanDerWaalsContact O-NE1 3.12Å; F31-W152 AromaticContact CD2-CD2 3.64Å; F31-W152 HydrophobicContact CD2-CD2 3.64Å; F31-W152 AromaticContact CD2-CE2 3.69Å; F31-W152 AromaticContact CD2-CE3 3.89Å; F31-W152 HydrophobicContact CD2-CE3 3.89Å; F31-W152 HydrophobicContact CD2-CG 4.14Å; F31-W152 HydrophobicContact CD2-CH2 4.18Å; F31-W152 AromaticContact CD2-CZ2 3.99Å; F31-W152 HydrophobicContact CD2-CZ2 3.99Å; F31-W152 HydrophobicContact CD2-CZ3 4.14Å; F31-W152 HydrophobicContact CE2-CD2 4.19Å; F31-W152 AromaticContact CE2-CE3 3.95Å; F31-W152 HydrophobicContact CE2-CE3 3.95Å; F31-W152 HydrophobicContact CE2-CH2 4.22Å; F31-W152 HydrophobicContact CE2-CZ2 4.48Å; F31-W152 AromaticContact CE2-CZ3 3.95Å; F31-W152 HydrophobicContact CE2-CZ3 3.95Å; Y34-W152 AromaticContact CD1-CH2 4Å; Y34-W152 HydrophobicContact CD1-CH2 4Å; Y34-W152 AromaticContact CD1-CZ2 3.75Å; Y34-W152 HydrophobicContact CD1-CZ2 3.75Å; Y34-W152 HydrophobicContact CG-CZ2 4.09Å; M38-W152 HydrophobicContact CE-CH2 4.42Å; I51-W152 HydrophobicContact CB-CH2 4.42Å; I51-W152 HydrophobicContact CB-CZ3 4.36Å; I51-W152 HydrophobicContact CD1-CH2 4.44Å; I51-W152 HydrophobicContact CD1-CZ3 4.3Å; I51-W152 HydrophobicContact CG1-CH2 4.03Å; I51-W152 HydrophobicContact CG1-CZ3 4.2Å; I51-W152 HydrophobicContact CG2-CH2 4.17Å; I51-W152 HydrophobicContact CG2-CZ3 4.41Å; F145-W152 VanDerWaalsContact CE1-O 3.28Å; F145-W152 WeakPolarHBondContact CE1-O 3.07Å; W152-L154 PolarHBondContact O-N 3.1Å; W152-I201 HydrophobicContact CE3-CD1 3.62Å; W152-I201 HydrophobicContact CZ3-CD1 3.7Å; W152-F271 HydrophobicContact CB-CE1 4.28Å; W152-F271 HydrophobicContact CB-CZ 3.9Å; W152-F271 HydrophobicContact CE3-CD1 4.1Å; W152-F271 HydrophobicContact CE3-CD2 4.35Å; W152-F271 HydrophobicContact CE3-CE1 4.13Å; W152-F271 HydrophobicContact CE3-CE2 4.43Å; W152-F271 HydrophobicContact CE3-CG 4.18Å; W152-F271 HydrophobicContact CE3-CZ 4.29Å; W152-F271 HydrophobicContact CZ3-CG 4.42Å
153N94.8Very high84.9Confident7 Ų748 Ų484%0.03726%0.257CS..  trans-74.8116.2174.5-174.3-35.8000109.5F145 T149 Q151 G155 H156 L157F145-N153 HydrophobicContact CD1-CB 4.23Å; T149-N153 WeakPolarHBondContact O-CB 3.37Å; T149-N153 PolarHBondContact O-ND2 3.32Å; Q151-N153 PolarHBondContact O-N 3.15Å; Q151-N153 VanDerWaalsContact O-N 3.14Å; N153-G155 PolarHBondContact O-N 3.14Å; N153-G155 PolarHBondContact OD1-N 3.28Å; N153-H156 CarbonylContact O-C 3.57Å; N153-H156 PolarHBondContact O-N 2.86Å; N153-L157 PolarHBondContact O-N 3.26Å
154L92.7Very high83.4Confident0 Ų046.3 Ų46.30%024%0.244CC..THydrogen-bonded Turntrans-70-18.8-173.3-57.1-165.6000113.7F145 W152 H156 L157 I201 F271 E291 I293F145-L154 HydrophobicContact CE2-CB 4.08Å; F145-L154 HydrophobicContact CE2-CD1 4.21Å; F145-L154 HydrophobicContact CE2-CG 3.72Å; F145-L154 HydrophobicContact CZ-CD1 4.46Å; F145-L154 HydrophobicContact CZ-CG 3.81Å; W152-L154 PolarHBondContact O-N 3.1Å; L154-H156 VanDerWaalsContact C-N 3.32Å; L154-L157 HydrophobicContact CD2-CD1 4.45Å; L154-L157 HydrophobicContact CD2-CD2 3.81Å; L154-L157 HydrophobicContact CD2-CG 4.41Å; L154-I201 HydrophobicContact CD1-CG2 4.38Å; L154-I201 HydrophobicContact CD2-CB 4.42Å; L154-I201 HydrophobicContact CD2-CD1 4.03Å; L154-I201 HydrophobicContact CD2-CG1 4.03Å; L154-I201 HydrophobicContact CD2-CG2 3.55Å; L154-F271 HydrophobicContact CD2-CE1 4.19Å; L154-E291 HydrophobicContact CB-CG 4.38Å; L154-E291 HydrophobicContact CD1-CB 4.23Å; L154-E291 HydrophobicContact CD1-CG 4.1Å; L154-I293 HydrophobicContact CB-CG2 4.08Å; L154-I293 HydrophobicContact CD2-CG2 4.5Å; L154-I293 WeakPolarHBondContact O-CD1 3.39Å
155G87.6Confident82Confident25 Ų2550.1 Ų50.126%0.25826%0.262SS..THydrogen-bonded Turntrans-76.4-17.416900000114.1N153N153-G155 PolarHBondContact O-N 3.14Å; N153-G155 PolarHBondContact OD1-N 3.28Å
156H85.1Confident80.5Confident142 Ų14257 Ų5766%0.65729%0.292SS*.  trans-14656.6-172-62.3-42.7000111.9N153 L154 G158N153-H156 CarbonylContact O-C 3.57Å; N153-H156 PolarHBondContact O-N 2.86Å; L154-H156 VanDerWaalsContact C-N 3.32Å; H156-G158 PolarHBondContact O-N 3.34Å
157L80.3Confident78.9Confident19 Ų1957.7 Ų57.710%0.09929%0.293CS..  trans-67.8-20.5-178.8-71.5176.6000113.8F31 N153 L154 T159 I201 I293 F295F31-L157 HydrophobicContact CD1-CD2 4.45Å; F31-L157 HydrophobicContact CD2-CD2 4.27Å; F31-L157 HydrophobicContact CE1-CD1 4.41Å; F31-L157 HydrophobicContact CE1-CD2 4.44Å; F31-L157 HydrophobicContact CE2-CD2 4.27Å; F31-L157 HydrophobicContact CG-CD2 4.36Å; F31-L157 HydrophobicContact CZ-CD1 4.42Å; F31-L157 HydrophobicContact CZ-CD2 4.35Å; N153-L157 PolarHBondContact O-N 3.26Å; L154-L157 HydrophobicContact CD2-CD1 4.45Å; L154-L157 HydrophobicContact CD2-CD2 3.81Å; L154-L157 HydrophobicContact CD2-CG 4.41Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 HydrophobicContact CB-CG2 3.73Å; L157-T159 PolarHBondContact O-N 3.07Å; L157-I201 HydrophobicContact CD1-CG2 3.89Å; L157-I293 HydrophobicContact CD1-CG2 3.54Å; L157-I293 HydrophobicContact CG-CG2 4.47Å; L157-F295 HydrophobicContact CD1-CB 4.22Å
158G68.1Low77.6Confident45 Ų4551.9 Ų51.946%0.46427%0.271SS..  trans75.913.1-179.500000114.4H156 D162H156-G158 PolarHBondContact O-N 3.34Å; G158-D162 WeakPolarHBondContact CA-OD2 3.4Å; G158-D162 PolarHBondContact N-OD2 3.47Å
159T68.9Low76.2Confident9 Ų948.1 Ų48.16%0.05527%0.265CS..SBendtrans-81.7-176.3-170.957.60000112.7F31 L157 Q161 D162 F295F31-T159 HydrophobicContact CD1-CG2 3.77Å; F31-T159 HydrophobicContact CE1-CG2 3.71Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 HydrophobicContact CB-CG2 3.73Å; L157-T159 PolarHBondContact O-N 3.07Å; T159-Q161 PolarHBondContact O-N 2.93Å; T159-Q161 VanDerWaalsContact O-N 3.12Å; T159-Q161 PolarHBondContact OG1-OE1 2.94Å; T159-Q161 VanDerWaalsContact OG1-OE1 3.12Å; T159-D162 WeakPolarHBondContact O-CB 3.45Å; T159-D162 PolarHBondContact O-N 3.16Å; T159-F295 HydrophobicContact CG2-CB 4.24Å
160I66.2Low74.8Confident26 Ų2650.9 Ų50.913%0.13328%0.281CS..Hα-helixtrans-55.4-27177.6-70170.3000113L163 L164 A296 P298 F324 L328I160-L163 WeakPolarHBondContact O-CB 3.44Å; I160-L163 PolarHBondContact O-N 3.36Å; I160-L164 WeakPolarHBondContact O-CG 3.31Å; I160-L164 PolarHBondContact O-N 3.02Å; I160-L164 VanDerWaalsContact O-N 3.13Å; I160-A296 HydrophobicContact CB-CB 4.19Å; I160-A296 HydrophobicContact CG2-CB 4.29Å; I160-P298 HydrophobicContact CD1-CG 4.29Å; I160-F324 HydrophobicContact CG2-CD1 4.09Å; I160-F324 HydrophobicContact CG2-CE1 4.05Å; I160-L328 HydrophobicContact CD1-CD1 3.87Å; I160-L328 HydrophobicContact CD1-CD2 4.39Å; I160-L328 HydrophobicContact CG1-CD1 4.45Å; I160-L328 HydrophobicContact CG2-CD1 3.78Å
161Q63Low73.4Confident4 Ų447.7 Ų47.72%0.01927%0.274CS..Hα-helixtrans-73-36.9178.1-64.2118.5-70.100113.7T159 L163 L164 E165 V175 N176 N294 F295T159-Q161 PolarHBondContact O-N 2.93Å; T159-Q161 VanDerWaalsContact O-N 3.12Å; T159-Q161 PolarHBondContact OG1-OE1 2.94Å; T159-Q161 VanDerWaalsContact OG1-OE1 3.12Å; Q161-L163 PolarHBondContact O-N 3.11Å; Q161-L164 HydrophobicContact CB-CD1 4.36Å; Q161-L164 HydrophobicContact CG-CD1 4.13Å; Q161-L164 WeakPolarHBondContact O-CB 3.41Å; Q161-L164 PolarHBondContact O-N 3.42Å; Q161-E165 PolarHBondContact O-N 3.05Å; Q161-V175 PolarHBondContact NE2-O 3.05Å; Q161-N176 HydrophobicContact CB-CB 4.19Å; Q161-N294 VanDerWaalsContact NE2-C 3.29Å; Q161-N294 PolarHBondContact NE2-O 3.28Å; Q161-F295 VanDerWaalsContact NE2-CA 3.28Å; Q161-F295 VanDerWaalsContact OE1-CA 3.25Å
162D66.5Low71.9Confident31 Ų3147 Ų4717%0.16627%0.272CS..Hα-helixtrans-57-33.5170.3-67.314.9000110.7G158 T159 K166G158-D162 WeakPolarHBondContact CA-OD2 3.4Å; G158-D162 PolarHBondContact N-OD2 3.47Å; T159-D162 WeakPolarHBondContact O-CB 3.45Å; T159-D162 PolarHBondContact O-N 3.16Å; D162-K166 WeakPolarHBondContact O-CB 3.03Å; D162-K166 WeakPolarHBondContact O-CD 3.43Å; D162-K166 WeakPolarHBondContact O-CG 3.44Å; D162-K166 PolarHBondContact O-N 2.92Å; D162-K166 VanDerWaalsContact O-N 3.09Å; D162-K166 IonicContact OD2-NZ 3.56Å
163L63.1Low70.4Confident40 Ų4052.9 Ų52.921%0.20930%0.3CS..Hα-helixtrans-71.3-36175.7-173.5150.5000111.9I160 Q161 E167 I327I160-L163 WeakPolarHBondContact O-CB 3.44Å; I160-L163 PolarHBondContact O-N 3.36Å; Q161-L163 PolarHBondContact O-N 3.11Å; L163-E167 HydrophobicContact CD2-CB 4.48Å; L163-E167 HydrophobicContact CD2-CG 3.96Å; L163-E167 HydrophobicContact CG-CG 3.98Å; L163-E167 WeakPolarHBondContact O-CB 3.47Å; L163-E167 WeakPolarHBondContact O-CG 3.45Å; L163-E167 PolarHBondContact O-N 3.34Å; L163-I327 HydrophobicContact CD2-CD1 4.1Å; L163-I327 HydrophobicContact CD2-CG2 4.19Å
164L64Low68.6Low14 Ų1452.9 Ų52.97%0.07330%0.301CS..Hα-helixtrans-67.4-42.6173.2-58.6161.5000112.3I160 Q161 K166 C168 G169 A323 F324I160-L164 WeakPolarHBondContact O-CG 3.31Å; I160-L164 PolarHBondContact O-N 3.02Å; I160-L164 VanDerWaalsContact O-N 3.13Å; Q161-L164 HydrophobicContact CB-CD1 4.36Å; Q161-L164 HydrophobicContact CG-CD1 4.13Å; Q161-L164 WeakPolarHBondContact O-CB 3.41Å; Q161-L164 PolarHBondContact O-N 3.42Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 3.1Å; L164-C168 VanDerWaalsContact O-CA 3.3Å; L164-C168 WeakPolarHBondContact O-CA 3.44Å; L164-C168 VanDerWaalsContact O-CB 3.23Å; L164-C168 WeakPolarHBondContact O-CB 3.42Å; L164-C168 PolarHBondContact O-N 3.31Å; L164-G169 PolarHBondContact O-N 3.44Å; L164-A323 HydrophobicContact CD2-CB 4.15Å; L164-F324 HydrophobicContact CD1-CD1 4.24Å; L164-F324 HydrophobicContact CD1-CE1 3.34Å; L164-F324 HydrophobicContact CD1-CE2 3.71Å; L164-F324 HydrophobicContact CD1-CZ 3.05Å; L164-F324 HydrophobicContact CD2-CD1 4Å; L164-F324 HydrophobicContact CD2-CD2 4.1Å; L164-F324 HydrophobicContact CD2-CE1 3.95Å; L164-F324 HydrophobicContact CD2-CE2 3.96Å; L164-F324 HydrophobicContact CD2-CG 4.17Å; L164-F324 HydrophobicContact CD2-CZ 3.97Å; L164-F324 HydrophobicContact CG-CE1 4.06Å; L164-F324 HydrophobicContact CG-CE2 4.48Å; L164-F324 HydrophobicContact CG-CZ 4.07Å
165E68.1Low67.3Low85 Ų8553 Ų5340%0.39730%0.302SS..Hα-helixtrans-62.5-43.7178.4-173.3175.4170.700109.8Q161 G169 V171 N176Q161-E165 PolarHBondContact O-N 3.05Å; E165-G169 WeakPolarHBondContact O-CA 3.32Å; E165-G169 PolarHBondContact O-N 3.43Å; E165-V171 HydrophobicContact CG-CG2 4.17Å; E165-N176 VanDerWaalsContact CD-ND2 3.34Å; E165-N176 PolarHBondContact OE2-ND2 3.02Å
166K65.1Low66.5Low160 Ų16052.6 Ų52.670%0.69629%0.294SS*.Hα-helixtrans-69.6-43.2178-69.9163.3-166.4160.30114D162 L164D162-K166 WeakPolarHBondContact O-CB 3.03Å; D162-K166 WeakPolarHBondContact O-CD 3.43Å; D162-K166 WeakPolarHBondContact O-CG 3.44Å; D162-K166 PolarHBondContact O-N 2.92Å; D162-K166 VanDerWaalsContact O-N 3.09Å; D162-K166 IonicContact OD2-NZ 3.56Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 3.1Å
167E61.8Low66.2Low74 Ų7447.8 Ų47.835%0.34627%0.274SS..Hα-helixtrans-95.1-18.9-172.1-59-80.1162.700113.2L163 R369L163-E167 HydrophobicContact CD2-CB 4.48Å; L163-E167 HydrophobicContact CD2-CG 3.96Å; L163-E167 HydrophobicContact CG-CG 3.98Å; L163-E167 WeakPolarHBondContact O-CB 3.47Å; L163-E167 WeakPolarHBondContact O-CG 3.45Å; L163-E167 PolarHBondContact O-N 3.34Å; E167-R369 IonicContact OE1-CZ 3.22Å; E167-R369 IonicContact OE1-NE 3.7Å; E167-R369 IonicContact OE1-NH2 2.68Å; E167-R369 PolarHBondContact OE1-NH2 3.13Å
168C62.3Low66.7Low47 Ų4747.5 Ų47.532%0.31827%0.274SS..Hα-helixtrans-124.8-13-178.8-61.80000114.5L164 V170L164-C168 VanDerWaalsContact O-CA 3.3Å; L164-C168 WeakPolarHBondContact O-CA 3.44Å; L164-C168 VanDerWaalsContact O-CB 3.23Å; L164-C168 WeakPolarHBondContact O-CB 3.42Å; L164-C168 PolarHBondContact O-N 3.31Å; C168-V170 HydrophobicContact CB-CG2 4.14Å; C168-V170 PolarHBondContact O-N 2.91Å
169G65.1Low68Low60 Ų6047.3 Ų47.362%0.61926%0.259SS*.  trans69.117.4178.800000114.9L164 E165L164-G169 PolarHBondContact O-N 3.44Å; E165-G169 WeakPolarHBondContact O-CA 3.32Å; E165-G169 PolarHBondContact O-N 3.43Å
170V64.3Low69.3Low76 Ų7647.1 Ų47.146%0.46126%0.258SS..  trans-99.8106.5-175.5-1730000110.1C168 I172C168-V170 HydrophobicContact CB-CG2 4.14Å; C168-V170 PolarHBondContact O-N 2.91Å; V170-I172 HydrophobicContact CG1-CD1 4.21Å; V170-I172 HydrophobicContact CG1-CG1 3.91Å
171V63.9Low70.9Confident85 Ų8548 Ų4852%0.51526%0.26SS..  trans-88134.5169179.80000109.1E165 N176 T177E165-V171 HydrophobicContact CG-CG2 4.17Å; V171-N176 WeakPolarHBondContact CG1-OD1 3.29Å; V171-T177 HydrophobicContact CG1-CG2 4.39Å
172I64.5Low72.6Confident30 Ų3047.8 Ų47.815%0.15426%0.259CS..  trans-134.999.4-179.3-52.9158.5000106.5V170 G174 V175 N176 F319V170-I172 HydrophobicContact CG1-CD1 4.21Å; V170-I172 HydrophobicContact CG1-CG1 3.91Å; I172-G174 PolarHBondContact O-N 3.29Å; I172-V175 HydrophobicContact CB-CB 3.9Å; I172-V175 HydrophobicContact CB-CG1 4.35Å; I172-V175 HydrophobicContact CD1-CG1 4.38Å; I172-V175 HydrophobicContact CG2-CB 3.66Å; I172-V175 HydrophobicContact CG2-CG1 4.32Å; I172-V175 HydrophobicContact CG2-CG2 3.76Å; I172-V175 CarbonylContact O-C 3.52Å; I172-V175 WeakPolarHBondContact O-CA 3.39Å; I172-V175 WeakPolarHBondContact O-CB 3.43Å; I172-V175 PolarHBondContact O-N 3.5Å; I172-N176 VanDerWaalsContact C-OD1 3.27Å; I172-N176 PolarHBondContact N-OD1 3.05Å; I172-N176 PolarHBondContact O-N 3.13Å; I172-N176 PolarHBondContact O-OD1 3.14Å; I172-F319 HydrophobicContact CD1-CB 3.46Å; I172-F319 VanDerWaalsContact CD1-CB 3.46Å; I172-F319 HydrophobicContact CD1-CD1 3.71Å; I172-F319 HydrophobicContact CD1-CD2 4.4Å; I172-F319 HydrophobicContact CD1-CG 3.61Å; I172-F319 HydrophobicContact CG1-CB 4.33Å; I172-F319 HydrophobicContact CG2-CD1 4.38Å
173E62.3Low74.1Confident132 Ų13246.3 Ų46.362%0.61725%0.251SS*.THydrogen-bonded Turntrans-54136.7-174.4-56.8-171.1160.400112V175 T177 Y179E173-V175 PolarHBondContact O-N 2.82Å; E173-V175 VanDerWaalsContact O-N 3.1Å; E173-T177 WeakPolarHBondContact CA-OG1 3.43Å; E173-Y179 VanDerWaalsContact CB-OH 3.29Å; E173-Y179 WeakPolarHBondContact CB-OH 3.24Å
174G57.4Low75.8Confident6 Ų644.4 Ų44.46%0.06224%0.241CC..THydrogen-bonded Turntrans79.3-28.5-173.700000115.2I172 T177 N294I172-G174 PolarHBondContact O-N 3.29Å; G174-T177 CarbonylContact C-O 3.55Å; G174-T177 WeakPolarHBondContact CA-O 3.43Å; G174-T177 PolarHBondContact N-O 2.95Å; G174-T177 PolarHBondContact N-OG1 2.88Å; G174-T177 VanDerWaalsContact N-OG1 3.15Å; G174-N294 PolarHBondContact O-N 2.98Å; G174-N294 PolarHBondContact O-OD1 2.87Å
175V66.2Low77.5Confident4 Ų444.7 Ų44.72%0.02424%0.241CC..THydrogen-bonded Turntrans-91.3-34.1178.51740000111.9Q161 I172 E173 L198 F319Q161-V175 PolarHBondContact NE2-O 3.05Å; I172-V175 HydrophobicContact CB-CB 3.9Å; I172-V175 HydrophobicContact CB-CG1 4.35Å; I172-V175 HydrophobicContact CD1-CG1 4.38Å; I172-V175 HydrophobicContact CG2-CB 3.66Å; I172-V175 HydrophobicContact CG2-CG1 4.32Å; I172-V175 HydrophobicContact CG2-CG2 3.76Å; I172-V175 CarbonylContact O-C 3.52Å; I172-V175 WeakPolarHBondContact O-CA 3.39Å; I172-V175 WeakPolarHBondContact O-CB 3.43Å; I172-V175 PolarHBondContact O-N 3.5Å; E173-V175 PolarHBondContact O-N 2.82Å; E173-V175 VanDerWaalsContact O-N 3.1Å; V175-L198 HydrophobicContact CG1-CD1 3.66Å; V175-L198 HydrophobicContact CG2-CD1 4.27Å; V175-F319 HydrophobicContact CG1-CE1 4Å; V175-F319 HydrophobicContact CG2-CE1 4.41Å
176N69.6Low78.9Confident16 Ų1641.4 Ų41.49%0.08623%0.226CC..THydrogen-bonded Turntrans-124.16.3169.681-46.5000113.8Q161 E165 V171 I172Q161-N176 HydrophobicContact CB-CB 4.19Å; E165-N176 VanDerWaalsContact CD-ND2 3.34Å; E165-N176 PolarHBondContact OE2-ND2 3.02Å; V171-N176 WeakPolarHBondContact CG1-OD1 3.29Å; I172-N176 VanDerWaalsContact C-OD1 3.27Å; I172-N176 PolarHBondContact N-OD1 3.05Å; I172-N176 PolarHBondContact O-N 3.13Å; I172-N176 PolarHBondContact O-OD1 3.14Å
177T80.3Confident80.5Confident40 Ų4033.8 Ų33.825%0.24519%0.192CC..SBendtrans-129.6140.3173.259.80000110.8V171 E173 G174V171-T177 HydrophobicContact CG1-CG2 4.39Å; E173-T177 WeakPolarHBondContact CA-OG1 3.43Å; G174-T177 CarbonylContact C-O 3.55Å; G174-T177 WeakPolarHBondContact CA-O 3.43Å; G174-T177 PolarHBondContact N-O 2.95Å; G174-T177 PolarHBondContact N-OG1 2.88Å; G174-T177 VanDerWaalsContact N-OG1 3.15Å
178P90.3Very high82.2Confident14 Ų1430.3 Ų30.39%0.09118%0.176CC..  trans-73.3146.8-179.328.8-34.2000112.4G142 E291 A292 I293G142-P178 PolarHBondContact N-O 3.27Å; G142-P178 CarbonylContact O-C 3.52Å; P178-E291 HydrophobicContact CB-CG 3.96Å; P178-E291 WeakPolarHBondContact CB-OE1 3.45Å; P178-A292 WeakPolarHBondContact CA-O 3.48Å; P178-I293 HydrophobicContact CB-CB 4.45Å
179Y94.4Very high83.9Confident40 Ų4029.3 Ų29.316%0.15717%0.166CC..EExtended strand (participates in β ladder)trans-114.6137.4172.7-75.9-44.7000111.7I140 S141 E173 Y181 E291 A292I140-Y179 CarbonylContact O-C 3.55Å; I140-Y179 WeakPolarHBondContact O-CA 3.37Å; S141-Y179 WeakPolarHBondContact OG-CE1 3.49Å; E173-Y179 VanDerWaalsContact CB-OH 3.29Å; E173-Y179 WeakPolarHBondContact CB-OH 3.24Å; Y179-Y181 WeakPolarHBondContact O-CD2 3.32Å; Y179-Y181 VanDerWaalsContact O-CE2 3.26Å; Y179-Y181 WeakPolarHBondContact O-CE2 3.44Å; Y179-E291 CarbonylContact O-C 3.58Å; Y179-E291 WeakPolarHBondContact O-CA 3.38Å; Y179-A292 PolarHBondContact N-O 2.79Å; Y179-A292 PolarHBondContact O-N 2.92Å
180L97.9Very high85.5Confident5 Ų526.5 Ų26.53%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-92.8141.3170.5-57.5177.3000111.4I140 L144 F182 A290 E291I140-L180 HydrophobicContact CB-CB 4.25Å; I140-L180 PolarHBondContact N-O 3.2Å; I140-L180 PolarHBondContact O-N 3.26Å; L144-L180 HydrophobicContact CB-CD2 4.46Å; L144-L180 HydrophobicContact CD1-CD1 4.45Å; L144-L180 HydrophobicContact CD1-CD2 4.14Å; L144-L180 HydrophobicContact CD2-CD1 4.2Å; L144-L180 HydrophobicContact CG-CD1 3.92Å; L144-L180 HydrophobicContact CG-CD2 3.79Å; L180-F182 HydrophobicContact CB-CE2 4.09Å; L180-A290 CarbonylContact C-O 3.53Å; L180-A290 WeakPolarHBondContact CA-O 3.29Å; L180-E291 HydrophobicContact CD2-CB 3.79Å; L180-E291 HydrophobicContact CD2-CG 3.8Å; L180-E291 WeakPolarHBondContact CD2-OE2 3.17Å
181Y98.5Very high87.1Confident44 Ų4422.9 Ų22.917%0.17312%0.116CC..EExtended strand (participates in β ladder)trans-131104.9-177.6-60.1-95.7000109.9Y136 G137 A138 D139 Y179 C289 A290 A292Y136-Y181 HydrophobicContact CE1-CD1 4.44Å; G137-Y181 CarbonylContact O-C 3.6Å; G137-Y181 WeakPolarHBondContact O-CA 3.23Å; A138-Y181 HydrophobicContact CB-CD1 3.8Å; A138-Y181 HydrophobicContact CB-CE1 4.11Å; D139-Y181 VanDerWaalsContact OD1-CE1 3.28Å; D139-Y181 WeakPolarHBondContact OD1-CE1 3.49Å; Y179-Y181 WeakPolarHBondContact O-CD2 3.32Å; Y179-Y181 VanDerWaalsContact O-CE2 3.26Å; Y179-Y181 WeakPolarHBondContact O-CE2 3.44Å; Y181-C289 WeakPolarHBondContact O-CA 3.1Å; Y181-A290 PolarHBondContact N-O 2.73Å; Y181-A290 PolarHBondContact O-N 3.32Å; Y181-A292 HydrophobicContact CD2-CB 4.38Å; Y181-A292 HydrophobicContact CE2-CB 3.76Å
182F98.8Very high88.8Confident0 Ų019.4 Ų19.40%09%0.093CC..EExtended strand (participates in β ladder)trans-89.8109.8172.7-62.6-82.9000109.9I66 I69 I71 V98 Y101 Y136 G137 I140 L180 N288 C289I66-F182 HydrophobicContact CD1-CE1 4.39Å; I69-F182 HydrophobicContact CG2-CE2 4.45Å; I71-F182 HydrophobicContact CD1-CB 4.19Å; I71-F182 HydrophobicContact CD1-CD2 4.08Å; I71-F182 HydrophobicContact CD1-CG 4.24Å; I71-F182 HydrophobicContact CG1-CD2 4.06Å; V98-F182 HydrophobicContact CB-CE1 4.27Å; V98-F182 HydrophobicContact CG1-CD1 3.9Å; V98-F182 HydrophobicContact CG1-CE1 3.65Å; V98-F182 HydrophobicContact CG1-CZ 4.34Å; V98-F182 HydrophobicContact CG2-CD1 3.9Å; V98-F182 HydrophobicContact CG2-CD2 4Å; V98-F182 HydrophobicContact CG2-CE1 3.49Å; V98-F182 VanDerWaalsContact CG2-CE1 3.49Å; V98-F182 HydrophobicContact CG2-CE2 3.61Å; V98-F182 HydrophobicContact CG2-CG 4.14Å; V98-F182 HydrophobicContact CG2-CZ 3.35Å; Y101-F182 HydrophobicContact CD1-CB 3.97Å; Y101-F182 HydrophobicContact CE1-CB 3.67Å; Y101-F182 VanDerWaalsContact CZ-O 3.25Å; Y101-F182 PolarHBondContact OH-O 3.22Å; Y136-F182 WeakPolarHBondContact CD2-O 3.21Å; G137-F182 PolarHBondContact N-O 3.41Å; G137-F182 VanDerWaalsContact N-O 3.11Å; G137-F182 PolarHBondContact O-N 2.67Å; I140-F182 HydrophobicContact CD1-CD2 3.5Å; I140-F182 VanDerWaalsContact CD1-CD2 3.5Å; I140-F182 HydrophobicContact CD1-CE2 3.72Å; L180-F182 HydrophobicContact CB-CE2 4.09Å; F182-N288 CarbonylContact C-O 3.52Å; F182-N288 VanDerWaalsContact CA-O 3.29Å; F182-N288 WeakPolarHBondContact CA-O 3.38Å; F182-C289 HydrophobicContact CD1-CB 3.8Å; F182-C289 HydrophobicContact CE1-CB 3.71Å; F182-C289 WeakPolarHBondContact CE1-SG 3.43Å
183G98.7Very high90.4Very high0 Ų018 Ų180%09%0.087CC..EExtended strand (participates in β ladder)trans-88.4158178.900000113.8Y101 G286 F287 N288Y101-G183 WeakPolarHBondContact CE1-O 3.3Å; Y101-G183 PolarHBondContact OH-O 3.31Å; G183-G286 CarbonylContact C-O 3.6Å; G183-F287 WeakPolarHBondContact O-CA 3.38Å; G183-N288 WeakPolarHBondContact CA-OD1 3.4Å; G183-N288 PolarHBondContact N-O 3.27Å; G183-N288 PolarHBondContact N-OD1 3.17Å; G183-N288 VanDerWaalsContact N-OD1 3.16Å; G183-N288 PolarHBondContact O-N 3.3Å
184M98.8Very high91.9Very high0 Ų012.6 Ų12.60%06%0.061CC..  trans-136.2171159.569.9172.561.600108.9Y101 L104 A105 Y110 P134 I135 K186 T187 G286Y101-M184 HydrophobicContact CD2-CE 4.15Å; Y101-M184 HydrophobicContact CE1-CE 4.39Å; Y101-M184 HydrophobicContact CE2-CE 3.5Å; Y101-M184 PolarHBondContact OH-N 3.27Å; L104-M184 HydrophobicContact CD2-CE 4.47Å; L104-M184 HydrophobicContact CG-CE 4.43Å; A105-M184 HydrophobicContact CB-CB 3.62Å; A105-M184 HydrophobicContact CB-CE 4.12Å; Y110-M184 HydrophobicContact CD1-SD 3.93Å; Y110-M184 HydrophobicContact CG-SD 3.9Å; P134-M184 HydrophobicContact CB-CG 4.1Å; P134-M184 HydrophobicContact CB-SD 4.16Å; I135-M184 HydrophobicContact CB-CE 4.07Å; I135-M184 HydrophobicContact CB-SD 4.47Å; I135-M184 WeakPolarHBondContact O-CE 3.25Å; I135-M184 VanDerWaalsContact O-CG 3.3Å; I135-M184 WeakPolarHBondContact O-CG 3.41Å; M184-K186 PolarHBondContact O-N 3.31Å; M184-T187 HydrophobicContact CB-CG2 4.44Å; M184-T187 HydrophobicContact CG-CG2 3.53Å; M184-T187 PolarHBondContact N-OG1 3.49Å; M184-T187 VanDerWaalsContact N-OG1 3.12Å; M184-T187 WeakPolarHBondContact O-CB 3.48Å; M184-T187 WeakPolarHBondContact O-CG2 3.17Å; M184-T187 PolarHBondContact O-N 3.31Å; M184-T187 PolarHBondContact O-OG1 3.33Å; M184-G286 CarbonylContact C-O 3.5Å; M184-G286 WeakPolarHBondContact CA-O 3.48Å; M184-G286 PolarHBondContact N-O 2.95Å
185W98.6Very high93.3Very high21 Ų2113.5 Ų13.58%0.087%0.065CC..THydrogen-bonded Turntrans-51.7134.3179.7164.3-125.4000112.2Y110 P113 L121 K124 P134 T187 F283Y110-W185 WeakPolarHBondContact O-CB 3.4Å; P113-W185 HydrophobicContact CG-CZ2 3.74Å; L121-W185 HydrophobicContact CD1-CE3 4.11Å; L121-W185 HydrophobicContact CD1-CH2 3.36Å; L121-W185 HydrophobicContact CD1-CZ2 3.98Å; L121-W185 HydrophobicContact CD1-CZ3 3.45Å; L121-W185 VanDerWaalsContact CD1-CZ3 3.45Å; L121-W185 HydrophobicContact CD2-CZ3 4Å; L121-W185 HydrophobicContact CG-CE3 4.41Å; L121-W185 HydrophobicContact CG-CH2 3.75Å; L121-W185 HydrophobicContact CG-CZ3 3.53Å; K124-W185 HydrophobicContact CB-CH2 4.46Å; K124-W185 HydrophobicContact CB-CZ2 4.4Å; P134-W185 WeakPolarHBondContact CB-O 3.41Å; W185-T187 PolarHBondContact O-N 3.08Å; W185-F283 HydrophobicContact CZ3-CD2 4.13Å; W185-F283 AromaticContact CZ3-CE2 4Å; W185-F283 HydrophobicContact CZ3-CE2 4Å
186K98Very high94.4Very high16 Ų1613.9 Ų13.97%0.077%0.066CC..THydrogen-bonded Turntrans65.8-2.1-172.1-50.9-174.8-175.5177.60117Y125 N128 Y131 P134 M184 T188 N284Y125-K186 HydrophobicContact CD2-CB 4.25Å; Y125-K186 HydrophobicContact CD2-CG 4.25Å; Y125-K186 HydrophobicContact CE2-CB 4.32Å; N128-K186 PolarHBondContact O-NZ 3.46Å; Y131-K186 PolarHBondContact O-NZ 3.37Å; P134-K186 HydrophobicContact CG-CB 4.02Å; M184-K186 PolarHBondContact O-N 3.31Å; K186-T188 PolarHBondContact O-N 2.84Å; K186-T188 PolarHBondContact O-OG1 2.96Å; K186-N284 PolarHBondContact N-O 3.41Å
187T98.5Very high95.5Very high0 Ų013.3 Ų13.30%06%0.063CC..  trans-60132171.752.70000109.4P134 I135 Y136 M184 W185 F283 N284P134-T187 HydrophobicContact CB-CG2 3.86Å; P134-T187 HydrophobicContact CG-CG2 4.19Å; I135-T187 WeakPolarHBondContact O-CG2 3.34Å; Y136-T187 HydrophobicContact CD2-CG2 3.85Å; Y136-T187 HydrophobicContact CG-CG2 3.96Å; M184-T187 HydrophobicContact CB-CG2 4.44Å; M184-T187 HydrophobicContact CG-CG2 3.53Å; M184-T187 PolarHBondContact N-OG1 3.49Å; M184-T187 VanDerWaalsContact N-OG1 3.12Å; M184-T187 WeakPolarHBondContact O-CB 3.48Å; M184-T187 WeakPolarHBondContact O-CG2 3.17Å; M184-T187 PolarHBondContact O-N 3.31Å; M184-T187 PolarHBondContact O-OG1 3.33Å; W185-T187 PolarHBondContact O-N 3.08Å; T187-F283 CarbonylContact O-C 3.53Å; T187-F283 VanDerWaalsContact O-CA 3.25Å; T187-F283 WeakPolarHBondContact O-CA 3.18Å; T187-N284 PolarHBondContact O-N 2.94Å; T187-N284 WeakPolarHBondContact OG1-CB 3.28Å; T187-N284 PolarHBondContact OG1-ND2 2.89Å
188T98.4Very high96.1Very high1 Ų111.5 Ų11.51%0.0065%0.052CC..EExtended strand (participates in β ladder)trans-125.9135.6-159.3-52.70000110.5Q77 Y125 R129 K186 L248 G282Q77-T188 PolarHBondContact NE2-O 3.33Å; Y125-T188 WeakPolarHBondContact OH-CG2 3.48Å; Y125-T188 PolarHBondContact OH-OG1 3.21Å; Y125-T188 VanDerWaalsContact OH-OG1 3.11Å; R129-T188 PolarHBondContact NE-OG1 2.89Å; R129-T188 PolarHBondContact NH2-OG1 3.46Å; K186-T188 PolarHBondContact O-N 2.84Å; K186-T188 PolarHBondContact O-OG1 2.96Å; T188-L248 HydrophobicContact CG2-CD1 3.89Å; T188-L248 HydrophobicContact CG2-CD2 3.44Å; T188-L248 VanDerWaalsContact CG2-CD2 3.44Å; T188-L248 HydrophobicContact CG2-CG 4.34Å; T188-G282 WeakPolarHBondContact CA-O 3.26Å; T188-G282 WeakPolarHBondContact CG2-O 3.17Å
189F98.2Very high96.3Very high25 Ų2510.9 Ų10.911%0.115%0.048CC..EExtended strand (participates in β ladder)trans-106.8130.5160.953.9-78.4000108.4K210 W212 A281 G282F189-K210 HydrophobicContact CE1-CD 3.79Å; F189-K210 HydrophobicContact CE1-CG 3.79Å; F189-K210 HydrophobicContact CZ-CD 4.13Å; F189-K210 HydrophobicContact CZ-CG 4.25Å; F189-W212 AromaticContact CE2-CD2 4Å; F189-W212 HydrophobicContact CE2-CD2 4Å; F189-W212 AromaticContact CE2-CE3 3.5Å; F189-W212 HydrophobicContact CE2-CE3 3.5Å; F189-W212 HydrophobicContact CE2-CH2 4.36Å; F189-W212 AromaticContact CE2-CZ3 3.71Å; F189-W212 HydrophobicContact CE2-CZ3 3.71Å; F189-W212 AromaticContact CZ-CD2 3.67Å; F189-W212 HydrophobicContact CZ-CD2 3.67Å; F189-W212 AromaticContact CZ-CE3 3.69Å; F189-W212 HydrophobicContact CZ-CE3 3.69Å; F189-W212 HydrophobicContact CZ-CG 4.15Å; F189-W212 HydrophobicContact CZ-CH2 4.4Å; F189-W212 HydrophobicContact CZ-CZ2 4.4Å; F189-W212 HydrophobicContact CZ-CZ3 4.07Å; F189-A281 WeakPolarHBondContact CE2-O 2.81Å; F189-A281 WeakPolarHBondContact O-CA 3.42Å; F189-G282 WeakPolarHBondContact CD1-O 3.48Å; F189-G282 VanDerWaalsContact CE2-N 3.29Å; F189-G282 PolarHBondContact N-O 3.45Å; F189-G282 PolarHBondContact O-N 3.08Å
190A98.3Very high96.4Very high1 Ų19.2 Ų9.21%0.0084%0.042CC..EExtended strand (participates in β ladder)trans-83.9173.1-171.600000112.4H192 K245 A247 L248A190-H192 PolarHBondContact O-N 3.27Å; A190-H192 VanDerWaalsContact O-N 3.13Å; A190-H192 PolarHBondContact O-ND1 3.39Å; A190-K245 WeakPolarHBondContact CB-O 3.35Å; A190-A247 WeakPolarHBondContact CB-O 3.21Å; A190-L248 HydrophobicContact CB-CD2 3.64Å
191W98.6Very high96.4Very high1 Ų19 Ų90%0.0044%0.041CC..EExtended strand (participates in β ladder)trans-63.5113.9175.4-75.6105.6000111Y213 V215 L223 A247 I249 L254 Y279 H280 A281W191-Y213 VanDerWaalsContact CH2-CB 3.5Å; W191-Y213 HydrophobicContact CZ2-CG 4.43Å; W191-V215 HydrophobicContact CH2-CG2 4.01Å; W191-V215 HydrophobicContact CZ3-CB 4.49Å; W191-V215 HydrophobicContact CZ3-CG2 3.86Å; W191-L223 HydrophobicContact CD2-CD2 4.07Å; W191-L223 HydrophobicContact CE3-CD2 3.68Å; W191-L223 HydrophobicContact CG-CD2 4.46Å; W191-L223 HydrophobicContact CZ3-CD2 4.24Å; W191-A247 PolarHBondContact N-O 3.45Å; W191-I249 PolarHBondContact NE1-O 3.11Å; W191-L254 HydrophobicContact CH2-CD1 4Å; W191-L254 HydrophobicContact CZ2-CD1 3.49Å; W191-L254 VanDerWaalsContact CZ2-CD1 3.49Å; W191-Y279 WeakPolarHBondContact CZ3-O 3.25Å; W191-H280 WeakPolarHBondContact CA-O 3.18Å; W191-A281 HydrophobicContact CB-CB 4.42Å; W191-A281 HydrophobicContact CD2-CB 3.47Å; W191-A281 VanDerWaalsContact CD2-CB 3.47Å; W191-A281 HydrophobicContact CE3-CB 3.91Å; W191-A281 HydrophobicContact CG-CB 3.73Å; W191-A281 HydrophobicContact CH2-CB 4.43Å; W191-A281 HydrophobicContact CZ2-CB 4.02Å; W191-A281 HydrophobicContact CZ3-CB 4.38Å
192H98.2Very high96.4Very high11 Ų117.4 Ų7.45%0.0514%0.035CC..EExtended strand (participates in β ladder)trans-154167.1174.870.8-60.9000110.6A190 K245 Y279 H280A190-H192 PolarHBondContact O-N 3.27Å; A190-H192 VanDerWaalsContact O-N 3.13Å; A190-H192 PolarHBondContact O-ND1 3.39Å; H192-K245 HydrophobicContact CB-CG 4.11Å; H192-K245 WeakPolarHBondContact CD2-CE 3.43Å; H192-K245 PolarHBondContact CD2-NZ 2.8Å; H192-K245 VanDerWaalsContact CD2-NZ 3.32Å; H192-K245 PolarHBondContact NE2-NZ 3.32Å; H192-Y279 VanDerWaalsContact C-CD1 3.5Å; H192-Y279 WeakPolarHBondContact O-CA 3.39Å; H192-H280 AromaticContact CE1-CD2 3.84Å; H192-H280 AromaticContact CE1-CE1 3.94Å; H192-H280 AromaticContact CE1-NE2 3.2Å; H192-H280 PolarHBondContact CE1-NE2 3.22Å; H192-H280 PolarHBondContact N-O 3.27Å; H192-H280 VanDerWaalsContact N-O 3.12Å; H192-H280 AromaticContact ND1-NE2 3.84Å; H192-H280 AromaticContact NE2-NE2 3.65Å; H192-H280 PolarHBondContact O-N 2.91Å
193T97.6Very high96.4Very high2 Ų28 Ų81%0.0124%0.038CC..  trans-109.7163.2156.4480000107.9D197 R243 Y277 Y279T193-D197 WeakPolarHBondContact CB-OD1 3.22Å; T193-D197 PolarHBondContact OG1-OD1 2.93Å; T193-R243 PolarHBondContact O-NH1 2.8Å; T193-R243 PolarHBondContact OG1-NH1 2.84Å; T193-R243 PolarHBondContact OG1-NH2 3.08Å; T193-Y277 HydrophobicContact CG2-CD2 4.35Å; T193-Y277 WeakPolarHBondContact CG2-O 3.37Å; T193-Y279 HydrophobicContact CG2-CD1 3.86Å; T193-Y279 HydrophobicContact CG2-CD2 3.68Å; T193-Y279 HydrophobicContact CG2-CE1 4.09Å; T193-Y279 HydrophobicContact CG2-CE2 3.96Å; T193-Y279 HydrophobicContact CG2-CG 3.63Å
194E93.9Very high96.4Very high18 Ų188 Ų88%0.0844%0.038CC..  trans-61.4159.7-180-60.8-57.7159.800113.1M196 D197 L198 S200 R243 H280 N294E194-M196 PolarHBondContact O-N 2.96Å; E194-D197 VanDerWaalsContact O-CA 3.3Å; E194-D197 WeakPolarHBondContact O-CA 3.36Å; E194-D197 PolarHBondContact O-N 3.44Å; E194-L198 HydrophobicContact CB-CB 4.17Å; E194-L198 WeakPolarHBondContact CB-O 3.29Å; E194-S200 VanDerWaalsContact CD-CB 3.41Å; E194-S200 VanDerWaalsContact CD-OG 3.29Å; E194-S200 WeakPolarHBondContact OE1-CB 3.47Å; E194-S200 PolarHBondContact OE1-OG 3.33Å; E194-R243 PolarHBondContact O-NH1 3.19Å; E194-H280 IonicContact OE1-CE1 3.02Å; E194-H280 PolarHBondContact OE1-CE1 2.85Å; E194-H280 VanDerWaalsContact OE1-CE1 3.24Å; E194-H280 IonicContact OE1-NE2 3.55Å; E194-N294 WeakPolarHBondContact CB-ND2 3.37Å; E194-N294 VanDerWaalsContact CD-ND2 3.27Å; E194-N294 WeakPolarHBondContact CG-ND2 3.43Å; E194-N294 PolarHBondContact OE2-ND2 3.45Å
195D87.9Confident96.4Very high25 Ų258.3 Ų8.313%0.1344%0.039CC..G310 helixtrans-61.5136.6177.7-70.3-51.5000110.9D197 L198 V317D195-D197 PolarHBondContact O-N 2.82Å; D195-D197 VanDerWaalsContact O-N 3.09Å; D195-L198 WeakPolarHBondContact O-CB 3.45Å; D195-L198 WeakPolarHBondContact O-CD1 3.49Å; D195-L198 WeakPolarHBondContact O-CG 3.31Å; D195-L198 PolarHBondContact O-N 2.82Å; D195-V317 HydrophobicContact CB-CB 4.09Å; D195-V317 HydrophobicContact CB-CG1 4.04Å
196M88.2Confident96.4Very high11 Ų118.6 Ų8.65%0.0544%0.042CC..G310 helixtrans52.124.6-168-60.8-60-63.900114.6E194 L198 W300 G304 A307 Q309 F319 M321E194-M196 PolarHBondContact O-N 2.96Å; M196-L198 PolarHBondContact O-N 3.33Å; M196-W300 HydrophobicContact CB-CZ2 4.18Å; M196-W300 PolarHBondContact O-NE1 3.14Å; M196-G304 WeakPolarHBondContact CE-O 3.33Å; M196-A307 HydrophobicContact CE-CB 4.26Å; M196-A307 HydrophobicContact SD-CB 4.49Å; M196-Q309 HydrophobicContact SD-CG 4.25Å; M196-Q309 PolarHBondContact SD-NE2 3Å; M196-F319 HydrophobicContact CB-CE1 3.84Å; M196-F319 HydrophobicContact CB-CE2 4.32Å; M196-F319 HydrophobicContact CB-CZ 3.56Å; M196-F319 HydrophobicContact CG-CD1 3.97Å; M196-F319 HydrophobicContact CG-CE1 3.44Å; M196-F319 VanDerWaalsContact CG-CE1 3.44Å; M196-F319 HydrophobicContact CG-CE2 4.07Å; M196-F319 HydrophobicContact CG-CZ 3.51Å; M196-M321 HydrophobicContact CE-CG 3.96Å; M196-M321 HydrophobicContact CE-SD 4.07Å
197D94.1Very high96.4Very high5 Ų59.6 Ų9.63%0.0276%0.057CC..G310 helixtrans54.233.3-176.5-65.2-48.2000113.9T193 E194 D195 R243 P276 W300 A307T193-D197 WeakPolarHBondContact CB-OD1 3.22Å; T193-D197 PolarHBondContact OG1-OD1 2.93Å; E194-D197 VanDerWaalsContact O-CA 3.3Å; E194-D197 WeakPolarHBondContact O-CA 3.36Å; E194-D197 PolarHBondContact O-N 3.44Å; D195-D197 PolarHBondContact O-N 2.82Å; D195-D197 VanDerWaalsContact O-N 3.09Å; D197-R243 IonicContact OD1-CZ 2.77Å; D197-R243 IonicContact OD1-NH1 2.79Å; D197-R243 PolarHBondContact OD1-NH1 3.25Å; D197-R243 VanDerWaalsContact OD1-NH1 3.09Å; D197-R243 IonicContact OD1-NH2 3.23Å; D197-R243 PolarHBondContact OD1-NH2 3.22Å; D197-R243 IonicContact OD2-NH2 3.2Å; D197-R243 PolarHBondContact OD2-NH2 3.07Å; D197-P276 WeakPolarHBondContact O-CA 3.17Å; D197-P276 VanDerWaalsContact O-CB 3.25Å; D197-P276 WeakPolarHBondContact O-CB 3.49Å; D197-W300 PolarHBondContact O-NE1 3.26Å; D197-A307 HydrophobicContact CB-CB 4.2Å; D197-A307 VanDerWaalsContact OD2-CA 3.3Å; D197-A307 WeakPolarHBondContact OD2-CA 3.44Å; D197-A307 VanDerWaalsContact OD2-CB 3.29Å; D197-A307 WeakPolarHBondContact OD2-CB 3.14Å
198L92.4Very high96.5Very high2 Ų214 Ų141%0.018%0.078CC..  trans-58.5170.5173.1-78.1164.2000113.4V175 E194 D195 M196 N294 F295 A296 W300 F319V175-L198 HydrophobicContact CG1-CD1 3.66Å; V175-L198 HydrophobicContact CG2-CD1 4.27Å; E194-L198 HydrophobicContact CB-CB 4.17Å; E194-L198 WeakPolarHBondContact CB-O 3.29Å; D195-L198 WeakPolarHBondContact O-CB 3.45Å; D195-L198 WeakPolarHBondContact O-CD1 3.49Å; D195-L198 WeakPolarHBondContact O-CG 3.31Å; D195-L198 PolarHBondContact O-N 2.82Å; M196-L198 PolarHBondContact O-N 3.33Å; L198-N294 HydrophobicContact CB-CB 4.04Å; L198-N294 HydrophobicContact CD1-CB 3.82Å; L198-F295 WeakPolarHBondContact CD2-O 3.41Å; L198-A296 HydrophobicContact CD2-CB 3.76Å; L198-W300 HydrophobicContact CD2-CD2 3.63Å; L198-W300 HydrophobicContact CD2-CE3 4.15Å; L198-W300 HydrophobicContact CD2-CG 4.12Å; L198-W300 HydrophobicContact CD2-CH2 4.13Å; L198-W300 HydrophobicContact CD2-CZ2 3.62Å; L198-W300 HydrophobicContact CD2-CZ3 4.37Å; L198-W300 HydrophobicContact CG-CZ2 3.99Å; L198-F319 HydrophobicContact CD1-CE1 4.06Å; L198-F319 HydrophobicContact CD1-CZ 3.96Å
199Y95.2Very high96.5Very high0 Ų014.6 Ų14.60%08%0.082CC..EExtended strand (participates in β ladder)trans-73.9160.3158.3-58.8-113.2000108.7I35 E39 V273 T274 F275 P276 N294 F295 T297 W300I35-Y199 HydrophobicContact CG2-CE1 4.31Å; E39-Y199 WeakPolarHBondContact OE1-CE1 3.4Å; E39-Y199 PolarHBondContact OE1-OH 3.14Å; Y199-V273 HydrophobicContact CD1-CG1 4.45Å; Y199-T274 WeakPolarHBondContact CA-O 3.3Å; Y199-T274 WeakPolarHBondContact CB-O 3.48Å; Y199-F275 AromaticContact CD1-CD1 3.91Å; Y199-F275 HydrophobicContact CD1-CD1 3.91Å; Y199-F275 HydrophobicContact CD1-CE1 4.45Å; Y199-F275 HydrophobicContact CD1-CG 4.38Å; Y199-F275 AromaticContact CE1-CD1 3.46Å; Y199-F275 HydrophobicContact CE1-CD1 3.46Å; Y199-F275 VanDerWaalsContact CE1-CD1 3.46Å; Y199-F275 AromaticContact CE1-CE1 3.98Å; Y199-F275 HydrophobicContact CE1-CE1 3.98Å; Y199-F275 HydrophobicContact CE1-CG 4.29Å; Y199-P276 HydrophobicContact CD1-CG 4.43Å; Y199-P276 HydrophobicContact CD2-CG 3.59Å; Y199-P276 VanDerWaalsContact CE1-CD 3.5Å; Y199-P276 HydrophobicContact CE1-CG 4.24Å; Y199-P276 HydrophobicContact CE2-CG 3.32Å; Y199-P276 HydrophobicContact CG-CG 4.12Å; Y199-P276 VanDerWaalsContact CZ-CD 3.42Å; Y199-N294 CarbonylContact O-C 3.57Å; Y199-N294 WeakPolarHBondContact O-CA 3.35Å; Y199-N294 WeakPolarHBondContact O-CB 3.45Å; Y199-N294 PolarHBondContact O-ND2 3.34Å; Y199-N294 VanDerWaalsContact O-ND2 3.12Å; Y199-F295 VanDerWaalsContact CB-CE1 3.44Å; Y199-F295 VanDerWaalsContact CB-CZ 3.44Å; Y199-F295 VanDerWaalsContact CB-O 3.31Å; Y199-F295 WeakPolarHBondContact CB-O 3.18Å; Y199-F295 HydrophobicContact CD1-CE1 4.36Å; Y199-F295 AromaticContact CD1-CE2 3.67Å; Y199-F295 HydrophobicContact CD1-CE2 3.67Å; Y199-F295 AromaticContact CD1-CZ 3.54Å; Y199-F295 HydrophobicContact CD1-CZ 3.54Å; Y199-F295 HydrophobicContact CD2-CD2 4.38Å; Y199-F295 HydrophobicContact CD2-CE2 4.17Å; Y199-F295 WeakPolarHBondContact CD2-O 3.33Å; Y199-F295 HydrophobicContact CE1-CE2 4.34Å; Y199-F295 HydrophobicContact CE1-CZ 4.47Å; Y199-F295 HydrophobicContact CG-CD2 4.09Å; Y199-F295 HydrophobicContact CG-CE1 4.21Å; Y199-F295 AromaticContact CG-CE2 3.6Å; Y199-F295 HydrophobicContact CG-CE2 3.6Å; Y199-F295 AromaticContact CG-CZ 3.68Å; Y199-F295 HydrophobicContact CG-CZ 3.68Å; Y199-F295 PolarHBondContact N-O 3.1Å; Y199-F295 PolarHBondContact O-N 2.86Å; Y199-T297 HydrophobicContact CD2-CG2 4.17Å; Y199-T297 HydrophobicContact CE1-CG2 4.29Å; Y199-T297 HydrophobicContact CE2-CG2 3.6Å; Y199-T297 WeakPolarHBondContact CE2-OG1 3.4Å; Y199-T297 PolarHBondContact OH-OG1 2.9Å; Y199-W300 HydrophobicContact CD2-CB 4.15Å; Y199-W300 HydrophobicContact CE2-CB 3.72Å
200S96.2Very high96.5Very high6 Ų613.6 Ų13.64%0.0428%0.077CC..EExtended strand (participates in β ladder)trans-131.5152.2156.964.80000111E194 V273 T274 I293E194-S200 VanDerWaalsContact CD-CB 3.41Å; E194-S200 VanDerWaalsContact CD-OG 3.29Å; E194-S200 WeakPolarHBondContact OE1-CB 3.47Å; E194-S200 PolarHBondContact OE1-OG 3.33Å; S200-V273 CarbonylContact O-C 3.52Å; S200-V273 VanDerWaalsContact O-CA 3.31Å; S200-V273 WeakPolarHBondContact O-CA 3.34Å; S200-T274 PolarHBondContact N-O 2.85Å; S200-T274 PolarHBondContact N-OG1 3.31Å; S200-T274 PolarHBondContact O-N 2.97Å; S200-T274 WeakPolarHBondContact OG-CG2 3.28Å; S200-T274 PolarHBondContact OG-OG1 3.19Å; S200-I293 WeakPolarHBondContact CA-O 3.26Å
201I97.7Very high96.5Very high0 Ų013.8 Ų13.80%08%0.078CC..EExtended strand (participates in β ladder)trans-118.6134.3167.6-177.9160.1000108.9F31 W152 L154 L157 F271 M272 V273 A292 I293 F295F31-I201 HydrophobicContact CE2-CD1 3.65Å; F31-I201 HydrophobicContact CZ-CD1 4.24Å; W152-I201 HydrophobicContact CE3-CD1 3.62Å; W152-I201 HydrophobicContact CZ3-CD1 3.7Å; L154-I201 HydrophobicContact CD1-CG2 4.38Å; L154-I201 HydrophobicContact CD2-CB 4.42Å; L154-I201 HydrophobicContact CD2-CD1 4.03Å; L154-I201 HydrophobicContact CD2-CG1 4.03Å; L154-I201 HydrophobicContact CD2-CG2 3.55Å; L157-I201 HydrophobicContact CD1-CG2 3.89Å; I201-F271 HydrophobicContact CD1-CD1 3.62Å; I201-F271 HydrophobicContact CD1-CE1 4.13Å; I201-F271 HydrophobicContact CD1-CG 4.42Å; I201-F271 HydrophobicContact CG1-CD1 3.82Å; I201-M272 CarbonylContact C-O 3.59Å; I201-M272 WeakPolarHBondContact CA-O 3.39Å; I201-V273 HydrophobicContact CB-CG2 4.2Å; I201-V273 HydrophobicContact CD1-CG2 3.98Å; I201-V273 HydrophobicContact CG1-CG2 4.03Å; I201-A292 WeakPolarHBondContact O-CA 3.31Å; I201-A292 WeakPolarHBondContact O-CB 3.46Å; I201-I293 HydrophobicContact CG2-CG2 3.74Å; I201-I293 PolarHBondContact N-O 3.41Å; I201-I293 PolarHBondContact O-N 2.9Å; I201-F295 HydrophobicContact CB-CD1 4.08Å; I201-F295 HydrophobicContact CB-CE1 3.94Å; I201-F295 HydrophobicContact CG2-CD1 3.96Å; I201-F295 HydrophobicContact CG2-CE1 4.32Å
202N98.6Very high96.6Very high10 Ų1014.2 Ų14.25%0.0538%0.08CC..EExtended strand (participates in β ladder)trans-126.2124.2178.6-179.2-90.2000109.7W212 Q266 F271 M272 E291 A292N202-W212 HydrophobicContact CB-CH2 4.07Å; N202-W212 HydrophobicContact CB-CZ2 3.98Å; N202-Q266 PolarHBondContact O-NE2 3.4Å; N202-Q266 PolarHBondContact OD1-NE2 2.83Å; N202-Q266 PolarHBondContact OD1-OE1 3.04Å; N202-F271 CarbonylContact O-C 3.52Å; N202-F271 VanDerWaalsContact O-CA 3.31Å; N202-F271 WeakPolarHBondContact O-CA 3.32Å; N202-M272 HydrophobicContact CB-CB 4.46Å; N202-M272 PolarHBondContact N-O 2.82Å; N202-M272 PolarHBondContact O-N 3.22Å; N202-E291 CarbonylContact C-O 3.5Å; N202-E291 VanDerWaalsContact CA-O 3.31Å; N202-E291 WeakPolarHBondContact CA-O 3.47Å; N202-E291 PolarHBondContact ND2-O 3.13Å; N202-A292 HydrophobicContact CB-CB 4.24Å
203Y98.8Very high96.6Very high12 Ų1213.8 Ų13.85%0.0478%0.078CC..EExtended strand (participates in β ladder)trans-108.8125.3173.7-178.6-111.1000110.3W57 A59 F145 H205 G269 F271 A290 E291W57-Y203 HydrophobicContact CH2-CD2 4.45Å; W57-Y203 HydrophobicContact CH2-CE1 4.45Å; W57-Y203 AromaticContact CH2-CE2 3.87Å; W57-Y203 HydrophobicContact CH2-CE2 3.87Å; W57-Y203 AromaticContact CH2-CZ 3.88Å; W57-Y203 AromaticContact CZ3-CE2 3.62Å; W57-Y203 HydrophobicContact CZ3-CE2 3.62Å; W57-Y203 AromaticContact CZ3-CZ 3.67Å; W57-Y203 WeakPolarHBondContact CZ3-OH 3.37Å; A59-Y203 HydrophobicContact CB-CD1 4.24Å; A59-Y203 HydrophobicContact CB-CE1 3.49Å; A59-Y203 VanDerWaalsContact CB-CE1 3.49Å; F145-Y203 HydrophobicContact CE2-CD1 4.14Å; F145-Y203 AromaticContact CZ-CD1 3.8Å; F145-Y203 HydrophobicContact CZ-CD1 3.8Å; F145-Y203 HydrophobicContact CZ-CE1 4.44Å; F145-Y203 HydrophobicContact CZ-CG 4.04Å; Y203-H205 HydrophobicContact CD1-CB 4.46Å; Y203-H205 AromaticContact CD1-CD2 3.74Å; Y203-H205 AromaticContact CD1-CE1 3.55Å; Y203-H205 AromaticContact CD1-CG 3.72Å; Y203-H205 AromaticContact CD1-ND1 3.61Å; Y203-H205 AromaticContact CD1-NE2 3.61Å; Y203-H205 HydrophobicContact CE1-CB 4.38Å; Y203-H205 AromaticContact CE1-CE1 3.77Å; Y203-H205 AromaticContact CE1-CG 3.85Å; Y203-H205 AromaticContact CE1-ND1 3.48Å; Y203-H205 WeakPolarHBondContact CE1-ND1 3.49Å; Y203-H205 PolarHBondContact O-N 2.8Å; Y203-G269 WeakPolarHBondContact CE2-O 3.43Å; Y203-F271 AromaticContact CD2-CD1 3.71Å; Y203-F271 HydrophobicContact CD2-CD1 3.71Å; Y203-F271 AromaticContact CD2-CD2 3.64Å; Y203-F271 HydrophobicContact CD2-CD2 3.64Å; Y203-F271 AromaticContact CD2-CE1 3.6Å; Y203-F271 HydrophobicContact CD2-CE1 3.6Å; Y203-F271 AromaticContact CD2-CE2 3.48Å; Y203-F271 HydrophobicContact CD2-CE2 3.48Å; Y203-F271 VanDerWaalsContact CD2-CE2 3.48Å; Y203-F271 AromaticContact CD2-CG 3.76Å; Y203-F271 HydrophobicContact CD2-CG 3.76Å; Y203-F271 AromaticContact CD2-CZ 3.49Å; Y203-F271 HydrophobicContact CD2-CZ 3.49Å; Y203-F271 VanDerWaalsContact CD2-CZ 3.49Å; Y203-F271 HydrophobicContact CE2-CD2 4.05Å; Y203-F271 AromaticContact CE2-CE2 3.68Å; Y203-F271 HydrophobicContact CE2-CE2 3.68Å; Y203-F271 AromaticContact CE2-CZ 3.98Å; Y203-F271 HydrophobicContact CE2-CZ 3.98Å; Y203-F271 HydrophobicContact CG-CD1 4.12Å; Y203-F271 AromaticContact CG-CE1 3.85Å; Y203-F271 HydrophobicContact CG-CE1 3.85Å; Y203-F271 HydrophobicContact CG-CE2 4.45Å; Y203-F271 HydrophobicContact CG-CZ 4.04Å; Y203-A290 CarbonylContact O-C 3.45Å; Y203-A290 WeakPolarHBondContact O-CA 3.48Å; Y203-A290 WeakPolarHBondContact O-CB 3.36Å; Y203-E291 PolarHBondContact N-O 3.12Å; Y203-E291 PolarHBondContact O-N 2.84Å
204L98.9Very high96.6Very high0 Ų013.7 Ų13.70%08%0.077CC..EExtended strand (participates in β ladder)trans-88.590.3177.5-170.461.5000109.6L206 K210 Q266 A268 G269 E270 N288 A290L204-L206 PolarHBondContact O-N 2.75Å; L204-K210 HydrophobicContact CD2-CB 4.37Å; L204-Q266 HydrophobicContact CB-CG 4.03Å; L204-Q266 HydrophobicContact CD2-CG 4.16Å; L204-Q266 WeakPolarHBondContact CD2-O 3.42Å; L204-A268 CarbonylContact O-C 3.54Å; L204-A268 WeakPolarHBondContact O-CA 3.39Å; L204-G269 PolarHBondContact O-N 2.8Å; L204-E270 PolarHBondContact N-O 3.18Å; L204-E270 VanDerWaalsContact N-O 3.14Å; L204-N288 HydrophobicContact CD1-CB 4.06Å; L204-A290 HydrophobicContact CD1-CB 3.85Å
205H98.7Very high96.9Very high7 Ų712.8 Ų12.83%0.0327%0.073CC..EExtended strand (participates in β ladder)trans-53.8-47.4-176.3-84.2-77.5000114.4Y63 F145 Y203 C289 E291Y63-H205 HydrophobicContact CE1-CB 3.52Å; Y63-H205 AromaticContact CE1-CG 3.77Å; Y63-H205 AromaticContact CE1-ND1 3.48Å; Y63-H205 WeakPolarHBondContact CE1-ND1 3.48Å; Y63-H205 WeakPolarHBondContact CE2-O 3.44Å; Y63-H205 AromaticContact CZ-ND1 3.6Å; Y63-H205 VanDerWaalsContact CZ-O 3.29Å; Y63-H205 WeakPolarHBondContact OH-CA 3.34Å; Y63-H205 WeakPolarHBondContact OH-CB 2.98Å; Y63-H205 PolarHBondContact OH-ND1 3.22Å; Y63-H205 PolarHBondContact OH-O 3.26Å; Y63-H205 VanDerWaalsContact OH-O 3.06Å; F145-H205 AromaticContact CD2-CE1 3.67Å; F145-H205 AromaticContact CD2-NE2 3.84Å; F145-H205 AromaticContact CE2-CE1 3.51Å; F145-H205 AromaticContact CE2-NE2 3.46Å; F145-H205 WeakPolarHBondContact CE2-NE2 3.13Å; Y203-H205 HydrophobicContact CD1-CB 4.46Å; Y203-H205 AromaticContact CD1-CD2 3.74Å; Y203-H205 AromaticContact CD1-CE1 3.55Å; Y203-H205 AromaticContact CD1-CG 3.72Å; Y203-H205 AromaticContact CD1-ND1 3.61Å; Y203-H205 AromaticContact CD1-NE2 3.61Å; Y203-H205 HydrophobicContact CE1-CB 4.38Å; Y203-H205 AromaticContact CE1-CE1 3.77Å; Y203-H205 AromaticContact CE1-CG 3.85Å; Y203-H205 AromaticContact CE1-ND1 3.48Å; Y203-H205 WeakPolarHBondContact CE1-ND1 3.49Å; Y203-H205 PolarHBondContact O-N 2.8Å; H205-C289 WeakPolarHBondContact CB-O 3.44Å; H205-C289 PolarHBondContact N-O 3.34Å; H205-E291 IonicContact CE1-OE2 2.68Å; H205-E291 VanDerWaalsContact NE2-CB 3.28Å; H205-E291 WeakPolarHBondContact NE2-CB 3.43Å; H205-E291 IonicContact NE2-OE2 2.74Å; H205-E291 PolarHBondContact NE2-OE2 2.94Å; H205-E291 VanDerWaalsContact NE2-OE2 3.15Å
206L98.5Very high97.4Very high28 Ų2811.7 Ų11.715%0.1477%0.068CC..EExtended strand (participates in β ladder)trans-161.1161.2-173.269.599000112.9Y63 I66 L204 F287 N288 C289Y63-L206 HydrophobicContact CD1-CD2 3.37Å; Y63-L206 HydrophobicContact CD2-CB 4.35Å; Y63-L206 HydrophobicContact CD2-CD2 4.26Å; Y63-L206 HydrophobicContact CE1-CD2 3.92Å; Y63-L206 HydrophobicContact CE2-CB 4.42Å; Y63-L206 HydrophobicContact CG-CB 4.48Å; Y63-L206 HydrophobicContact CG-CD2 3.57Å; I66-L206 HydrophobicContact CD1-CD2 3.5Å; L204-L206 PolarHBondContact O-N 2.75Å; L206-F287 HydrophobicContact CD1-CD1 4.36Å; L206-F287 HydrophobicContact CD1-CE1 3.6Å; L206-F287 HydrophobicContact CD1-CZ 4.23Å; L206-N288 VanDerWaalsContact O-CA 3.3Å; L206-N288 WeakPolarHBondContact O-CA 3.42Å; L206-N288 WeakPolarHBondContact O-CB 3.48Å; L206-C289 HydrophobicContact CD1-CB 4.35Å; L206-C289 HydrophobicContact CD2-CB 3.89Å; L206-C289 HydrophobicContact CG-CB 3.83Å; L206-C289 PolarHBondContact N-O 3.15Å; L206-C289 PolarHBondContact O-N 2.84Å
207G98.5Very high97.8Very high37 Ų3711.3 Ų11.338%0.3817%0.066SC..EExtended strand (participates in β ladder)trans87.7-154167.400000113.7F287G207-F287 WeakPolarHBondContact CA-O 3.46Å
208E98.8Very high97.9Very high91 Ų9113.7 Ų13.743%0.4258%0.077SC..SBendtrans-72.1151.6-169.8-61.5-61.5144.200113.4H285 F287 N288E208-H285 HydrophobicContact CB-CB 4.16Å; E208-F287 PolarHBondContact N-O 2.91Å; E208-N288 WeakPolarHBondContact O-CB 3.36Å; E208-N288 PolarHBondContact O-ND2 3.09Å
209P98.9Very high98.2Very high15 Ų1515.7 Ų15.710%0.0979%0.086CC..  trans-61.7166.8-174.7-24.134.3000115.9F118 T265 Q266 E267 H285F118-P209 HydrophobicContact CE1-CG 4.13Å; F118-P209 HydrophobicContact CZ-CG 4.22Å; P209-T265 HydrophobicContact CB-CG2 3.46Å; P209-T265 VanDerWaalsContact CB-CG2 3.46Å; P209-T265 HydrophobicContact CG-CG2 4.41Å; P209-Q266 CarbonylContact C-O 3.39Å; P209-Q266 VanDerWaalsContact CA-O 3.23Å; P209-Q266 WeakPolarHBondContact CA-O 3.44Å; P209-Q266 VanDerWaalsContact CB-O 3.27Å; P209-Q266 WeakPolarHBondContact CB-O 3.42Å; P209-E267 HydrophobicContact CB-CG 4.41Å; P209-E267 HydrophobicContact CG-CG 4.27Å; P209-H285 HydrophobicContact CB-CB 4.45Å; P209-H285 VanDerWaalsContact O-CB 3.26Å; P209-H285 WeakPolarHBondContact O-CB 3.23Å; P209-H285 PolarHBondContact O-CD2 2.77Å; P209-H285 PolarHBondContact O-N 3.19Å
210K98.9Very high98.3Very high3 Ų315.7 Ų15.71%0.0139%0.086CC..EExtended strand (participates in β ladder)trans-124.4118.4175.3-171.2-170.4-49.2-73.40109.3F189 L204 W212 Q266 N284F189-K210 HydrophobicContact CE1-CD 3.79Å; F189-K210 HydrophobicContact CE1-CG 3.79Å; F189-K210 HydrophobicContact CZ-CD 4.13Å; F189-K210 HydrophobicContact CZ-CG 4.25Å; L204-K210 HydrophobicContact CD2-CB 4.37Å; K210-W212 HydrophobicContact CD-CZ2 3.64Å; K210-Q266 HydrophobicContact CB-CB 4.43Å; K210-Q266 PolarHBondContact N-O 2.88Å; K210-Q266 PolarHBondContact O-N 3.44Å; K210-N284 WeakPolarHBondContact CG-OD1 3.48Å; K210-N284 PolarHBondContact NZ-OD1 2.79Å
211T98.9Very high98.3Very high5 Ų521.7 Ų21.73%0.03111%0.113CC..EExtended strand (participates in β ladder)trans-87.9132.8173.1-71.20000110.2Y213 I264 T265 G282 F283 H285T211-Y213 HydrophobicContact CG2-CE1 4.35Å; T211-Y213 HydrophobicContact CG2-CE2 4.41Å; T211-I264 WeakPolarHBondContact CA-O 3.1Å; T211-T265 PolarHBondContact OG1-OG1 2.98Å; T211-G282 CarbonylContact O-C 3.52Å; T211-G282 WeakPolarHBondContact O-CA 3.46Å; T211-F283 HydrophobicContact CG2-CD1 4.4Å; T211-F283 HydrophobicContact CG2-CE1 3.71Å; T211-F283 HydrophobicContact CG2-CZ 4.16Å; T211-F283 PolarHBondContact N-O 2.93Å; T211-F283 PolarHBondContact O-N 3.1Å; T211-H285 PolarHBondContact OG1-NE2 2.76Å
212W98.9Very high98.3Very high11 Ų1126.8 Ų26.84%0.04213%0.133CC..EExtended strand (participates in β ladder)trans-112.6144.8176-61.877.7000110.6L48 F189 N202 K210 R263 I264 M272 T274 H280 A281L48-W212 HydrophobicContact CD1-CE3 4.15Å; L48-W212 HydrophobicContact CD2-CB 3.67Å; L48-W212 HydrophobicContact CD2-CD2 4.39Å; L48-W212 HydrophobicContact CD2-CE3 4.36Å; L48-W212 HydrophobicContact CD2-CG 4.15Å; F189-W212 AromaticContact CE2-CD2 4Å; F189-W212 HydrophobicContact CE2-CD2 4Å; F189-W212 AromaticContact CE2-CE3 3.5Å; F189-W212 HydrophobicContact CE2-CE3 3.5Å; F189-W212 HydrophobicContact CE2-CH2 4.36Å; F189-W212 AromaticContact CE2-CZ3 3.71Å; F189-W212 HydrophobicContact CE2-CZ3 3.71Å; F189-W212 AromaticContact CZ-CD2 3.67Å; F189-W212 HydrophobicContact CZ-CD2 3.67Å; F189-W212 AromaticContact CZ-CE3 3.69Å; F189-W212 HydrophobicContact CZ-CE3 3.69Å; F189-W212 HydrophobicContact CZ-CG 4.15Å; F189-W212 HydrophobicContact CZ-CH2 4.4Å; F189-W212 HydrophobicContact CZ-CZ2 4.4Å; F189-W212 HydrophobicContact CZ-CZ3 4.07Å; N202-W212 HydrophobicContact CB-CH2 4.07Å; N202-W212 HydrophobicContact CB-CZ2 3.98Å; K210-W212 HydrophobicContact CD-CZ2 3.64Å; W212-R263 VanDerWaalsContact O-CA 3.26Å; W212-R263 WeakPolarHBondContact O-CA 3.41Å; W212-I264 HydrophobicContact CB-CG2 4.09Å; W212-I264 PolarHBondContact N-O 3.1Å; W212-I264 PolarHBondContact O-N 3.09Å; W212-M272 HydrophobicContact CZ2-CB 4.05Å; W212-M272 HydrophobicContact CZ2-CG 4.2Å; W212-T274 HydrophobicContact CZ3-CG2 4.08Å; W212-H280 AromaticContact CZ3-CD2 3.64Å; W212-A281 CarbonylContact C-O 3.03Å
213Y98.9Very high98.3Very high1 Ų126.3 Ų26.30%0.00413%0.13CC..EExtended strand (participates in β ladder)trans-117.4146.1161.6-51.6-75.4000108.2E122 W126 W191 T211 P251 F261 N262 R263 H280 A281 F283E122-Y213 VanDerWaalsContact CG-OH 3.3Å; E122-Y213 WeakPolarHBondContact CG-OH 3.49Å; E122-Y213 WeakPolarHBondContact OE1-CE1 3.43Å; E122-Y213 PolarHBondContact OE1-OH 2.88Å; E122-Y213 VanDerWaalsContact OE1-OH 3.05Å; W126-Y213 HydrophobicContact CZ2-CD2 4.46Å; W126-Y213 AromaticContact CZ2-CE2 3.74Å; W126-Y213 HydrophobicContact CZ2-CE2 3.74Å; W126-Y213 AromaticContact NE1-CZ 3.69Å; W126-Y213 PolarHBondContact NE1-OH 3.05Å; W191-Y213 VanDerWaalsContact CH2-CB 3.5Å; W191-Y213 HydrophobicContact CZ2-CG 4.43Å; T211-Y213 HydrophobicContact CG2-CE1 4.35Å; T211-Y213 HydrophobicContact CG2-CE2 4.41Å; Y213-P251 HydrophobicContact CD1-CG 3.83Å; Y213-P251 HydrophobicContact CE1-CB 4.49Å; Y213-P251 HydrophobicContact CE1-CG 3.28Å; Y213-P251 HydrophobicContact CE2-CG 4.45Å; Y213-F261 HydrophobicContact CD1-CD2 4.43Å; Y213-F261 HydrophobicContact CD1-CE2 4.4Å; Y213-N262 WeakPolarHBondContact CA-O 3.28Å; Y213-R263 HydrophobicContact CD1-CB 3.84Å; Y213-R263 HydrophobicContact CE1-CB 4.09Å; Y213-H280 WeakPolarHBondContact O-CA 3.47Å; Y213-H280 WeakPolarHBondContact O-CB 3.38Å; Y213-A281 PolarHBondContact N-O 3.44Å; Y213-A281 PolarHBondContact O-N 3.33Å; Y213-F283 HydrophobicContact CE2-CD1 4.31Å; Y213-F283 HydrophobicContact CE2-CE1 4.34Å
214V98.9Very high98.3Very high0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans-139.9143.7176.770.10000110.7I18 A46 L48 F261 N262 Y279 H280I18-V214 HydrophobicContact CD1-CG1 3.8Å; I18-V214 HydrophobicContact CG1-CG1 3.82Å; A46-V214 VanDerWaalsContact O-CG1 3.23Å; A46-V214 WeakPolarHBondContact O-CG1 3.33Å; A46-V214 WeakPolarHBondContact O-CG2 3.41Å; L48-V214 HydrophobicContact CB-CB 3.86Å; L48-V214 HydrophobicContact CB-CG1 3.95Å; L48-V214 HydrophobicContact CB-CG2 3.75Å; L48-V214 HydrophobicContact CD2-CB 4.15Å; L48-V214 HydrophobicContact CD2-CG1 4.37Å; V214-F261 CarbonylContact O-C 3.53Å; V214-F261 WeakPolarHBondContact O-CA 3.27Å; V214-F261 VanDerWaalsContact O-CB 3.26Å; V214-F261 WeakPolarHBondContact O-CB 3.23Å; V214-N262 HydrophobicContact CG1-CB 4.04Å; V214-N262 PolarHBondContact N-O 2.82Å; V214-N262 PolarHBondContact O-N 3Å; V214-Y279 CarbonylContact C-O 3.57Å; V214-Y279 VanDerWaalsContact CA-O 3.28Å; V214-Y279 WeakPolarHBondContact CA-O 3.43Å; V214-Y279 WeakPolarHBondContact CG2-O 3.26Å; V214-H280 HydrophobicContact CG2-CB 4.45Å
215V98.8Very high98.3Very high0 Ų035.2 Ų35.20%017%0.165CC..EExtended strand (participates in β ladder)trans-106.4128.2166.11720000107.8W191 H219 L223 I259 F261 Y279W191-V215 HydrophobicContact CH2-CG2 4.01Å; W191-V215 HydrophobicContact CZ3-CB 4.49Å; W191-V215 HydrophobicContact CZ3-CG2 3.86Å; V215-H219 HydrophobicContact CG1-CB 3.92Å; V215-L223 HydrophobicContact CB-CD2 4.47Å; V215-L223 HydrophobicContact CG1-CB 4.47Å; V215-L223 HydrophobicContact CG2-CD2 4.09Å; V215-I259 HydrophobicContact CG1-CG2 4.26Å; V215-I259 HydrophobicContact CG2-CG2 3.95Å; V215-F261 HydrophobicContact CG2-CB 4.05Å; V215-Y279 PolarHBondContact N-O 3.39Å
216P98.6Very high98.3Very high2 Ų235.2 Ų35.21%0.01317%0.165CC..  trans-47.3138.1173.5-33.939.5000112.7C16 R45 E218 H219 G220 P260C16-P216 HydrophobicContact CB-CB 4.03Å; C16-P216 HydrophobicContact CB-CG 3.67Å; R45-P216 WeakPolarHBondContact O-CA 3.48Å; R45-P216 VanDerWaalsContact O-CB 3.28Å; R45-P216 WeakPolarHBondContact O-CB 3.43Å; P216-E218 HydrophobicContact CB-CG 3.82Å; P216-E218 PolarHBondContact O-N 3.2Å; P216-H219 CarbonylContact O-C 3.53Å; P216-H219 WeakPolarHBondContact O-CA 3.46Å; P216-H219 PolarHBondContact O-N 3.12Å; P216-G220 PolarHBondContact O-N 3.13Å; P216-P260 WeakPolarHBondContact CD-O 3.39Å
217P97.8Very high98.3Very high2 Ų233.9 Ų33.91%0.01316%0.158CC..G310 helixtrans-55.4-37.5179.6-26.534.6000112.8R45 H219 G220 Y277 H347R45-P217 WeakPolarHBondContact O-CD 3.39Å; P217-H219 PolarHBondContact O-N 3.24Å; P217-G220 PolarHBondContact O-N 3.24Å; P217-Y277 HydrophobicContact CB-CD1 4.35Å; P217-Y277 WeakPolarHBondContact O-CD1 3.42Å; P217-H347 HydrophobicContact CB-CB 4.37Å
218E95.9Very high98.2Very high56 Ų5637.5 Ų37.526%0.26216%0.161SC..G310 helixtrans-58.9-7.2172.660.1-169.6-88.800114.8C16 R45 P216 H347C16-E218 PolarHBondContact SG-OE2 2.94Å; R45-E218 IonicContact CZ-OE2 3.75Å; R45-E218 IonicContact NE-OE2 3.37Å; R45-E218 PolarHBondContact NE-OE2 3.05Å; R45-E218 IonicContact NH2-OE1 2.95Å; R45-E218 PolarHBondContact NH2-OE1 3.12Å; R45-E218 IonicContact NH2-OE2 3.8Å; R45-E218 PolarHBondContact NH2-OE2 3.12Å; P216-E218 HydrophobicContact CB-CG 3.82Å; P216-E218 PolarHBondContact O-N 3.2Å; E218-H347 HydrophobicContact CB-CB 4.04Å
219H97.4Very high98.2Very high44 Ų4439.1 Ų39.120%0.20417%0.168CC..G310 helixtrans-126.54.6176.9-62.1-24.3000114.2V215 P216 P217 Q221 R222 L223 P260V215-H219 HydrophobicContact CG1-CB 3.92Å; P216-H219 CarbonylContact O-C 3.53Å; P216-H219 WeakPolarHBondContact O-CA 3.46Å; P216-H219 PolarHBondContact O-N 3.12Å; P217-H219 PolarHBondContact O-N 3.24Å; H219-Q221 VanDerWaalsContact C-N 3.35Å; H219-Q221 PolarHBondContact O-N 2.81Å; H219-R222 VanDerWaalsContact O-CB 3.29Å; H219-R222 WeakPolarHBondContact O-CB 3.23Å; H219-R222 PolarHBondContact O-N 2.72Å; H219-L223 PolarHBondContact O-N 2.95Å; H219-P260 VanDerWaalsContact CD2-CG 3.43Å; H219-P260 WeakPolarHBondContact CD2-CG 3.44Å
220G97.4Very high98.1Very high0 Ų040.9 Ų40.90%018%0.177CC..Hα-helixtrans-53.6-45.9-178.300000113.6P216 P217 R222 L223 E224P216-G220 PolarHBondContact O-N 3.13Å; P217-G220 PolarHBondContact O-N 3.24Å; G220-R222 PolarHBondContact O-N 3.05Å; G220-R222 VanDerWaalsContact O-N 3.11Å; G220-L223 WeakPolarHBondContact O-CA 3.39Å; G220-L223 WeakPolarHBondContact O-CB 3.47Å; G220-L223 PolarHBondContact O-N 2.76Å; G220-E224 PolarHBondContact O-N 3Å
221Q96.8Very high98Very high131 Ų13141.4 Ų41.461%0.61218%0.179SC*.Hα-helixtrans-60-25176.9-63.4-177.74.100114H219 R225 Y277H219-Q221 VanDerWaalsContact C-N 3.35Å; H219-Q221 PolarHBondContact O-N 2.81Å; Q221-R225 WeakPolarHBondContact O-CB 3.32Å; Q221-R225 PolarHBondContact O-N 2.99Å; Q221-Y277 HydrophobicContact CG-CE1 4.45Å; Q221-Y277 VanDerWaalsContact CG-OH 3.28Å; Q221-Y277 WeakPolarHBondContact CG-OH 3.5Å; Q221-Y277 PolarHBondContact N-OH 2.74Å
222R98.3Very high97.8Very high108 Ų10844.2 Ų44.241%0.40820%0.197SC..Hα-helixtrans-74.1-40.2175.7-57.8178.960.2-157.7-9.1110.6H219 G220 R225 L226 G258 I259 P260H219-R222 VanDerWaalsContact O-CB 3.29Å; H219-R222 WeakPolarHBondContact O-CB 3.23Å; H219-R222 PolarHBondContact O-N 2.72Å; G220-R222 PolarHBondContact O-N 3.05Å; G220-R222 VanDerWaalsContact O-N 3.11Å; R222-R225 PolarHBondContact O-N 2.85Å; R222-L226 PolarHBondContact O-N 3.18Å; R222-L226 VanDerWaalsContact O-N 3.11Å; R222-G258 PolarHBondContact NH2-O 2.86Å; R222-I259 HydrophobicContact CB-CD1 3.81Å; R222-P260 VanDerWaalsContact NH1-CD 3.34Å
223L98.6Very high97.5Very high0 Ų045.8 Ų45.80%022%0.217CC..Hα-helixtrans-64.2-44.1171.4-17968.2000111W191 V215 H219 G220 R225 L226 A227 I249 L254 Y279W191-L223 HydrophobicContact CD2-CD2 4.07Å; W191-L223 HydrophobicContact CE3-CD2 3.68Å; W191-L223 HydrophobicContact CG-CD2 4.46Å; W191-L223 HydrophobicContact CZ3-CD2 4.24Å; V215-L223 HydrophobicContact CB-CD2 4.47Å; V215-L223 HydrophobicContact CG1-CB 4.47Å; V215-L223 HydrophobicContact CG2-CD2 4.09Å; H219-L223 PolarHBondContact O-N 2.95Å; G220-L223 WeakPolarHBondContact O-CA 3.39Å; G220-L223 WeakPolarHBondContact O-CB 3.47Å; G220-L223 PolarHBondContact O-N 2.76Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.91Å; L223-L226 PolarHBondContact O-N 2.89Å; L223-A227 VanDerWaalsContact O-CB 3.26Å; L223-A227 WeakPolarHBondContact O-CB 3.45Å; L223-A227 PolarHBondContact O-N 2.83Å; L223-I249 HydrophobicContact CD1-CD1 4.05Å; L223-L254 HydrophobicContact CD1-CD2 3.54Å; L223-Y279 HydrophobicContact CD2-CD1 3.83Å; L223-Y279 HydrophobicContact CD2-CD2 4.27Å; L223-Y279 HydrophobicContact CD2-CG 3.64Å
224E98.3Very high97.3Very high41 Ų4147.8 Ų47.819%0.19223%0.231CC..Hα-helixtrans-59.1-39.5176-70.3174.2-177.300112.6G220 R228 L242 Y277 Y279G220-E224 PolarHBondContact O-N 3Å; E224-R228 VanDerWaalsContact O-CG 3.31Å; E224-R228 WeakPolarHBondContact O-CG 3.12Å; E224-R228 PolarHBondContact O-N 2.95Å; E224-R228 PolarHBondContact O-NE 2.79Å; E224-L242 HydrophobicContact CG-CD1 4.37Å; E224-Y277 WeakPolarHBondContact OE1-CE2 3.49Å; E224-Y277 PolarHBondContact OE1-OH 3.48Å; E224-Y277 PolarHBondContact OE2-OH 2.71Å; E224-Y279 HydrophobicContact CG-CE2 3.88Å; E224-Y279 WeakPolarHBondContact CG-OH 3.33Å; E224-Y279 PolarHBondContact OE1-OH 2.9Å
225R98.3Very high97.1Very high157 Ų15749.2 Ų49.259%0.59224%0.241SC*.Hα-helixtrans-63.6-52.9175.3-171-177.3-58.1-173.41.4111.2Q221 R222 L223 A227 R228 E229Q221-R225 WeakPolarHBondContact O-CB 3.32Å; Q221-R225 PolarHBondContact O-N 2.99Å; R222-R225 PolarHBondContact O-N 2.85Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.91Å; R225-A227 VanDerWaalsContact C-N 3.28Å; R225-A227 PolarHBondContact O-N 3.33Å; R225-R228 PolarHBondContact O-N 3.37Å; R225-R228 VanDerWaalsContact O-N 3.13Å; R225-E229 WeakPolarHBondContact CG-OE1 3.46Å; R225-E229 PolarHBondContact O-N 2.66Å; R225-E229 VanDerWaalsContact O-N 3.16Å
226L98.5Very high96.8Very high7 Ų758.9 Ų58.94%0.03728%0.277CS..Hα-helixtrans-57.4-42.1176.4177.262.9000111.6R222 L223 R228 E229 L230 L254 N257 I259R222-L226 PolarHBondContact O-N 3.18Å; R222-L226 VanDerWaalsContact O-N 3.11Å; L223-L226 PolarHBondContact O-N 2.89Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 3.39Å; L226-E229 WeakPolarHBondContact O-CB 3.28Å; L226-E229 PolarHBondContact O-N 2.79Å; L226-L230 HydrophobicContact CD1-CD1 3.91Å; L226-L230 HydrophobicContact CD1-CD2 4.45Å; L226-L230 HydrophobicContact CD1-CG 3.93Å; L226-L230 HydrophobicContact CD2-CD1 4.33Å; L226-L230 HydrophobicContact CG-CD1 3.8Å; L226-L230 HydrophobicContact CG-CG 4.2Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 2.94Å; L226-L254 HydrophobicContact CD2-CD2 4.13Å; L226-N257 HydrophobicContact CD1-CB 3.85Å; L226-N257 HydrophobicContact CD2-CB 3.75Å; L226-N257 HydrophobicContact CG-CB 4.43Å; L226-I259 HydrophobicContact CB-CD1 4.44Å; L226-I259 HydrophobicContact CD2-CD1 4.34Å; L226-I259 HydrophobicContact CD2-CG1 3.63Å
227A98.2Very high96.6Very high0 Ų061.3 Ų61.30%030%0.303CS..Hα-helixtrans-62.5-39.7178.500000111.8L223 R225 E229 L230 F231 F241 L242 I249L223-A227 VanDerWaalsContact O-CB 3.26Å; L223-A227 WeakPolarHBondContact O-CB 3.45Å; L223-A227 PolarHBondContact O-N 2.83Å; R225-A227 VanDerWaalsContact C-N 3.28Å; R225-A227 PolarHBondContact O-N 3.33Å; A227-E229 VanDerWaalsContact C-N 3.32Å; A227-E229 PolarHBondContact O-N 2.87Å; A227-L230 PolarHBondContact O-N 3.12Å; A227-F231 WeakPolarHBondContact O-CB 3.3Å; A227-F231 WeakPolarHBondContact O-CD2 3.45Å; A227-F231 PolarHBondContact O-N 2.87Å; A227-F241 HydrophobicContact CB-CZ 3.83Å; A227-F241 WeakPolarHBondContact O-CZ 3.33Å; A227-L242 HydrophobicContact CB-CD1 3.98Å; A227-L242 HydrophobicContact CB-CD2 3.96Å; A227-L242 HydrophobicContact CB-CG 4.27Å; A227-I249 HydrophobicContact CB-CD1 4.21Å
228R97.8Very high96.4Very high114 Ų11461.3 Ų61.343%0.4330%0.303SS..Hα-helixtrans-64.3-36175.1-71.3-177.8-76.7159.3-11.3112.8E224 R225 L226 P232 S235 F241E224-R228 VanDerWaalsContact O-CG 3.31Å; E224-R228 WeakPolarHBondContact O-CG 3.12Å; E224-R228 PolarHBondContact O-N 2.95Å; E224-R228 PolarHBondContact O-NE 2.79Å; R225-R228 PolarHBondContact O-N 3.37Å; R225-R228 VanDerWaalsContact O-N 3.13Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 3.39Å; R228-P232 WeakPolarHBondContact O-CA 3.49Å; R228-S235 VanDerWaalsContact CG-OG 3.27Å; R228-S235 WeakPolarHBondContact CG-OG 3.46Å; R228-F241 HydrophobicContact CG-CE1 4.02Å
229E97.5Very high96.3Very high124 Ų12461.8 Ų61.858%0.57932%0.323SS*.Hα-helixtrans-69.4-40.9175.3-67.2164.7-164.200112R225 L226 A227R225-E229 WeakPolarHBondContact CG-OE1 3.46Å; R225-E229 PolarHBondContact O-N 2.66Å; R225-E229 VanDerWaalsContact O-N 3.16Å; L226-E229 WeakPolarHBondContact O-CB 3.28Å; L226-E229 PolarHBondContact O-N 2.79Å; A227-E229 VanDerWaalsContact C-N 3.32Å; A227-E229 PolarHBondContact O-N 2.87Å
230L97.4Very high96.1Very high53 Ų5360.3 Ų60.328%0.27732%0.318SS..Hα-helixtrans-77.5-29.2179.6-67-179.5000113.9V85 L226 A227 P232 I249 V253V85-L230 HydrophobicContact CG1-CB 4.06Å; V85-L230 HydrophobicContact CG1-CD1 4.33Å; V85-L230 HydrophobicContact CG2-CD1 3.98Å; V85-L230 HydrophobicContact CG2-CD2 4.12Å; L226-L230 HydrophobicContact CD1-CD1 3.91Å; L226-L230 HydrophobicContact CD1-CD2 4.45Å; L226-L230 HydrophobicContact CD1-CG 3.93Å; L226-L230 HydrophobicContact CD2-CD1 4.33Å; L226-L230 HydrophobicContact CG-CD1 3.8Å; L226-L230 HydrophobicContact CG-CG 4.2Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 2.94Å; A227-L230 PolarHBondContact O-N 3.12Å; L230-P232 WeakPolarHBondContact O-CD 3.4Å; L230-I249 HydrophobicContact CD1-CD1 4.05Å; L230-I249 HydrophobicContact CD1-CG1 4.13Å; L230-I249 HydrophobicContact CD1-CG2 4.09Å; L230-V253 HydrophobicContact CD1-CG1 3.9Å
231F96.9Very high96Very high14 Ų1460.6 Ų60.66%0.06132%0.319CS..  trans-124.658.8-178-56.5-80.6000112.1V85 F86 T87 A227 G233 S234 S235 F241 A247 I249V85-F231 HydrophobicContact CG1-CE1 3.83Å; V85-F231 HydrophobicContact CG1-CE2 4.08Å; V85-F231 HydrophobicContact CG1-CZ 3.5Å; F86-F231 WeakPolarHBondContact O-CZ 3.18Å; T87-F231 WeakPolarHBondContact OG1-CE1 3.43Å; A227-F231 WeakPolarHBondContact O-CB 3.3Å; A227-F231 WeakPolarHBondContact O-CD2 3.45Å; A227-F231 PolarHBondContact O-N 2.87Å; F231-G233 PolarHBondContact O-N 2.9Å; F231-S234 PolarHBondContact O-N 2.84Å; F231-S234 VanDerWaalsContact O-N 3.12Å; F231-S235 PolarHBondContact O-N 3.33Å; F231-F241 HydrophobicContact CB-CE2 3.68Å; F231-F241 HydrophobicContact CB-CZ 3.79Å; F231-F241 HydrophobicContact CD2-CE2 4.01Å; F231-F241 HydrophobicContact CD2-CZ 4.18Å; F231-F241 HydrophobicContact CG-CE2 4.04Å; F231-F241 HydrophobicContact CG-CZ 4.37Å; F231-A247 HydrophobicContact CD2-CB 4.23Å; F231-A247 HydrophobicContact CE2-CB 3.84Å; F231-A247 HydrophobicContact CZ-CB 4.07Å; F231-I249 HydrophobicContact CE2-CD1 4.15Å; F231-I249 HydrophobicContact CE2-CG1 3.86Å; F231-I249 HydrophobicContact CZ-CG1 4.42Å
232P94.9Very high96Very high63 Ų6354.6 Ų54.641%0.40929%0.292SS..Hα-helixtrans-66.8-23.6-171.128-36.5000113.3R228 L230 R236R228-P232 WeakPolarHBondContact O-CA 3.49Å; L230-P232 WeakPolarHBondContact O-CD 3.4Å; P232-R236 WeakPolarHBondContact O-CG 3.17Å; P232-R236 PolarHBondContact O-N 3.25Å; P232-R236 PolarHBondContact O-NH1 3.31Å
233G92.8Very high95.8Very high44 Ų4450 Ų5045%0.45427%0.274SS..Hα-helixtrans-66.3-52171.200000112F231 R236 G237F231-G233 PolarHBondContact O-N 2.9Å; G233-R236 PolarHBondContact O-N 3.12Å; G233-G237 PolarHBondContact O-N 3.32Å
234S93.8Very high95.6Very high43 Ų4351.3 Ų51.330%0.30128%0.281SS..Hα-helixtrans-63-41.8178-54.30000112F231 R236 G237 C238 F241F231-S234 PolarHBondContact O-N 2.84Å; F231-S234 VanDerWaalsContact O-N 3.12Å; S234-R236 VanDerWaalsContact C-N 3.28Å; S234-R236 PolarHBondContact O-N 3.12Å; S234-G237 PolarHBondContact O-N 3.43Å; S234-G237 VanDerWaalsContact O-N 3.08Å; S234-C238 PolarHBondContact O-N 3.39Å; S234-F241 VanDerWaalsContact CB-CD2 3.42Å
235S94.1Very high95.5Very high31 Ų3152.5 Ų52.522%0.21729%0.285CS..Hα-helixtrans-62.2-29.5176.8179.80000114.1R228 F231R228-S235 VanDerWaalsContact CG-OG 3.27Å; R228-S235 WeakPolarHBondContact CG-OG 3.46Å; F231-S235 PolarHBondContact O-N 3.33Å
236R94.1Very high95.4Very high202 Ų20246.4 Ų46.476%0.76227%0.265SS*.Hα-helixtrans-76.8-29.1174.2-75.7-172.7-59.6-94.74.1112.5P232 G233 S234P232-R236 WeakPolarHBondContact O-CG 3.17Å; P232-R236 PolarHBondContact O-N 3.25Å; P232-R236 PolarHBondContact O-NH1 3.31Å; G233-R236 PolarHBondContact O-N 3.12Å; S234-R236 VanDerWaalsContact C-N 3.28Å; S234-R236 PolarHBondContact O-N 3.12Å
237G93.4Very high95.3Very high53 Ų5346.1 Ų46.155%0.54626%0.264SS..Hα-helixtrans-79.9-33.5177.500000113.8G233 S234G233-G237 PolarHBondContact O-N 3.32Å; S234-G237 PolarHBondContact O-N 3.43Å; S234-G237 VanDerWaalsContact O-N 3.08Å
238C94.4Very high95.3Very high3 Ų346.2 Ų46.22%0.0226%0.264CS..  trans-151.3129.3179-176.60000111.4S234 A240 F241 H244 C312S234-C238 PolarHBondContact O-N 3.39Å; C238-A240 PolarHBondContact O-N 2.68Å; C238-A240 PolarHBondContact SG-N 3.46Å; C238-F241 HydrophobicContact CB-CB 4.05Å; C238-F241 PolarHBondContact O-N 3.46Å; C238-H244 PolarHBondContact SG-NE2 3.22Å; C238-C312 HydrophobicContact CB-CB 4.2Å
239G92.5Very high95.4Very high66 Ų6640.9 Ų40.968%0.6824%0.244SC*.THydrogen-bonded Turntrans-64.4-26.4176.900000113.7
240A93.9Very high95.4Very high13 Ų1335.2 Ų35.211%0.10722%0.218CC..THydrogen-bonded Turntrans-112.734.5179.100000112.4C238 L242 R243 Q309C238-A240 PolarHBondContact O-N 2.68Å; C238-A240 PolarHBondContact SG-N 3.46Å; A240-L242 PolarHBondContact O-N 2.95Å; A240-R243 HydrophobicContact CB-CG 3.99Å; A240-R243 VanDerWaalsContact O-CB 3.24Å; A240-R243 WeakPolarHBondContact O-CB 3.18Å; A240-R243 VanDerWaalsContact O-CG 3.23Å; A240-R243 WeakPolarHBondContact O-CG 3.12Å; A240-R243 PolarHBondContact O-N 2.97Å; A240-Q309 WeakPolarHBondContact CB-O 3.46Å
241F95.8Very high95.4Very high5 Ų533.1 Ų33.12%0.02221%0.208CC..G310 helixtrans-58.1-18.4-171.676.8-84.7000115.7A227 R228 F231 S234 C238 R243 H244 A247A227-F241 HydrophobicContact CB-CZ 3.83Å; A227-F241 WeakPolarHBondContact O-CZ 3.33Å; R228-F241 HydrophobicContact CG-CE1 4.02Å; F231-F241 HydrophobicContact CB-CE2 3.68Å; F231-F241 HydrophobicContact CB-CZ 3.79Å; F231-F241 HydrophobicContact CD2-CE2 4.01Å; F231-F241 HydrophobicContact CD2-CZ 4.18Å; F231-F241 HydrophobicContact CG-CE2 4.04Å; F231-F241 HydrophobicContact CG-CZ 4.37Å; S234-F241 VanDerWaalsContact CB-CD2 3.42Å; C238-F241 HydrophobicContact CB-CB 4.05Å; C238-F241 PolarHBondContact O-N 3.46Å; F241-R243 PolarHBondContact O-N 3.12Å; F241-H244 VanDerWaalsContact O-CB 3.32Å; F241-H244 WeakPolarHBondContact O-CB 3.12Å; F241-H244 PolarHBondContact O-CD2 3.04Å; F241-H244 VanDerWaalsContact O-CG 3.27Å; F241-H244 PolarHBondContact O-N 3.21Å; F241-H244 VanDerWaalsContact O-N 3.08Å; F241-A247 HydrophobicContact CE2-CB 4.24Å
242L96.3Very high95.5Very high6 Ų636.5 Ų36.53%0.03123%0.23CC..G310 helixtrans-61.6-27.9172-67.3-179.7000112.4E224 A227 A240 H244 K245 A247 Y279E224-L242 HydrophobicContact CG-CD1 4.37Å; A227-L242 HydrophobicContact CB-CD1 3.98Å; A227-L242 HydrophobicContact CB-CD2 3.96Å; A227-L242 HydrophobicContact CB-CG 4.27Å; A240-L242 PolarHBondContact O-N 2.95Å; L242-H244 PolarHBondContact O-N 2.91Å; L242-K245 PolarHBondContact O-N 3.29Å; L242-K245 VanDerWaalsContact O-N 3.08Å; L242-A247 HydrophobicContact CD2-CB 3.57Å; L242-Y279 HydrophobicContact CB-CE1 4.07Å; L242-Y279 HydrophobicContact CD1-CD1 4.38Å; L242-Y279 HydrophobicContact CD1-CE1 3.55Å; L242-Y279 HydrophobicContact CG-CE1 4.45Å
243R94.8Very high95.7Very high11 Ų1133.9 Ų33.94%0.04221%0.213CC..G310 helixtrans-56.2-22.5171.6-63.6-69.8176.6-156.1-8.8113.3T193 E194 D197 A240 F241 K245 S308 C310 A315T193-R243 PolarHBondContact O-NH1 2.8Å; T193-R243 PolarHBondContact OG1-NH1 2.84Å; T193-R243 PolarHBondContact OG1-NH2 3.08Å; E194-R243 PolarHBondContact O-NH1 3.19Å; D197-R243 IonicContact OD1-CZ 2.77Å; D197-R243 IonicContact OD1-NH1 2.79Å; D197-R243 PolarHBondContact OD1-NH1 3.25Å; D197-R243 VanDerWaalsContact OD1-NH1 3.09Å; D197-R243 IonicContact OD1-NH2 3.23Å; D197-R243 PolarHBondContact OD1-NH2 3.22Å; D197-R243 IonicContact OD2-NH2 3.2Å; D197-R243 PolarHBondContact OD2-NH2 3.07Å; A240-R243 HydrophobicContact CB-CG 3.99Å; A240-R243 VanDerWaalsContact O-CB 3.24Å; A240-R243 WeakPolarHBondContact O-CB 3.18Å; A240-R243 VanDerWaalsContact O-CG 3.23Å; A240-R243 WeakPolarHBondContact O-CG 3.12Å; A240-R243 PolarHBondContact O-N 2.97Å; F241-R243 PolarHBondContact O-N 3.12Å; R243-K245 WeakPolarHBondContact O-CG 3.18Å; R243-K245 PolarHBondContact O-N 3.48Å; R243-S308 PolarHBondContact NE-O 2.82Å; R243-S308 PolarHBondContact NH2-O 3.08Å; R243-S308 PolarHBondContact NH2-OG 3.24Å; R243-C310 HydrophobicContact CB-CB 4.32Å; R243-A315 HydrophobicContact CB-CB 4.42Å; R243-A315 WeakPolarHBondContact O-CB 3.45Å
244H94.6Very high95.9Very high28 Ų2831.8 Ų31.813%0.1319%0.191CC..G310 helixtrans-76.5-3.9-177.7-49.7-172.6000111.6C238 F241 L242 V246 C310 C312 E314C238-H244 PolarHBondContact SG-NE2 3.22Å; F241-H244 VanDerWaalsContact O-CB 3.32Å; F241-H244 WeakPolarHBondContact O-CB 3.12Å; F241-H244 PolarHBondContact O-CD2 3.04Å; F241-H244 VanDerWaalsContact O-CG 3.27Å; F241-H244 PolarHBondContact O-N 3.21Å; F241-H244 VanDerWaalsContact O-N 3.08Å; L242-H244 PolarHBondContact O-N 2.91Å; H244-V246 HydrophobicContact CB-CG1 4.46Å; H244-V246 HydrophobicContact CB-CG2 4.12Å; H244-V246 WeakPolarHBondContact O-CG1 3.38Å; H244-V246 PolarHBondContact O-N 3.12Å; H244-C310 PolarHBondContact NE2-SG 3.21Å; H244-C312 PolarHBondContact CE1-SG 2.69Å; H244-E314 IonicContact CE1-OE2 2.69Å; H244-E314 PolarHBondContact CE1-OE2 3.32Å; H244-E314 VanDerWaalsContact CE1-OE2 3.22Å; H244-E314 IonicContact CG-OE2 3.36Å; H244-E314 IonicContact ND1-OE2 3.09Å; H244-E314 PolarHBondContact ND1-OE2 2.87Å
245K95.4Very high96.2Very high65 Ų6537.7 Ų37.728%0.28321%0.211SC..SBendtrans54.336.2177.4-45.3-166-172.5-164.40113.3Q88 A190 H192 L242 R243Q88-K245 PolarHBondContact NE2-O 3.19Å; Q88-K245 VanDerWaalsContact NE2-O 3.08Å; A190-K245 WeakPolarHBondContact CB-O 3.35Å; H192-K245 HydrophobicContact CB-CG 4.11Å; H192-K245 WeakPolarHBondContact CD2-CE 3.43Å; H192-K245 PolarHBondContact CD2-NZ 2.8Å; H192-K245 VanDerWaalsContact CD2-NZ 3.32Å; H192-K245 PolarHBondContact NE2-NZ 3.32Å; L242-K245 PolarHBondContact O-N 3.29Å; L242-K245 VanDerWaalsContact O-N 3.08Å; R243-K245 WeakPolarHBondContact O-CG 3.18Å; R243-K245 PolarHBondContact O-N 3.48Å
246V95.5Very high96.4Very high30 Ų3043 Ų4318%0.18223%0.233CC..  trans-111.1-18.1-180-63.60000115.9T87 Q88 H244T87-V246 CarbonylContact C-O 3.53Å; T87-V246 WeakPolarHBondContact CA-O 3.45Å; T87-V246 HydrophobicContact CG2-CB 4.06Å; T87-V246 HydrophobicContact CG2-CG2 4.18Å; Q88-V246 WeakPolarHBondContact CG-O 3.36Å; Q88-V246 PolarHBondContact N-O 2.97Å; Q88-V246 VanDerWaalsContact O-CB 3.24Å; Q88-V246 WeakPolarHBondContact O-CB 3.1Å; Q88-V246 WeakPolarHBondContact O-CG1 3.16Å; H244-V246 HydrophobicContact CB-CG1 4.46Å; H244-V246 HydrophobicContact CB-CG2 4.12Å; H244-V246 WeakPolarHBondContact O-CG1 3.38Å; H244-V246 PolarHBondContact O-N 3.12Å
247A97.4Very high96.6Very high1 Ų137 Ų371%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-91.9122.3-170.500000113.2A190 W191 F231 F241 L242A190-A247 WeakPolarHBondContact CB-O 3.21Å; W191-A247 PolarHBondContact N-O 3.45Å; F231-A247 HydrophobicContact CD2-CB 4.23Å; F231-A247 HydrophobicContact CE2-CB 3.84Å; F231-A247 HydrophobicContact CZ-CB 4.07Å; F241-A247 HydrophobicContact CE2-CB 4.24Å; L242-A247 HydrophobicContact CD2-CB 3.57Å
248L98.2Very high96.8Very high2 Ų236.4 Ų36.41%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-113.7124.6177.7-52.1-179.4000110.1V85 F86 Q88 R129 T188 A190V85-L248 WeakPolarHBondContact CA-O 3.18Å; F86-L248 HydrophobicContact CB-CB 4.12Å; F86-L248 HydrophobicContact CB-CD1 4.31Å; F86-L248 HydrophobicContact CD2-CB 4.35Å; F86-L248 PolarHBondContact N-O 3.31Å; F86-L248 WeakPolarHBondContact O-CA 3.07Å; F86-L248 WeakPolarHBondContact O-CB 3.05Å; F86-L248 PolarHBondContact O-N 3.44Å; Q88-L248 HydrophobicContact CB-CD1 4.38Å; R129-L248 HydrophobicContact CG-CD1 4.3Å; T188-L248 HydrophobicContact CG2-CD1 3.89Å; T188-L248 HydrophobicContact CG2-CD2 3.44Å; T188-L248 VanDerWaalsContact CG2-CD2 3.44Å; T188-L248 HydrophobicContact CG2-CG 4.34Å; A190-L248 HydrophobicContact CB-CD2 3.64Å
249I98.6Very high97Very high1 Ų136.7 Ų36.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-128.1128176.5-53.7170.4000106.6G84 W191 L223 A227 L230 F231 V253 L254G84-I249 CarbonylContact O-C 3.51Å; G84-I249 WeakPolarHBondContact O-CA 3.23Å; W191-I249 PolarHBondContact NE1-O 3.11Å; L223-I249 HydrophobicContact CD1-CD1 4.05Å; A227-I249 HydrophobicContact CB-CD1 4.21Å; L230-I249 HydrophobicContact CD1-CD1 4.05Å; L230-I249 HydrophobicContact CD1-CG1 4.13Å; L230-I249 HydrophobicContact CD1-CG2 4.09Å; F231-I249 HydrophobicContact CE2-CD1 4.15Å; F231-I249 HydrophobicContact CE2-CG1 3.86Å; F231-I249 HydrophobicContact CZ-CG1 4.42Å; I249-V253 HydrophobicContact CG2-CB 3.85Å; I249-V253 HydrophobicContact CG2-CG1 3.69Å; I249-L254 HydrophobicContact CB-CD2 4.43Å; I249-L254 HydrophobicContact CG2-CD2 3.76Å; I249-L254 HydrophobicContact CG2-CG 4.01Å
250S98.4Very high97.3Very high5 Ų535.8 Ų35.84%0.03519%0.193CC..  trans-80.9156.5-175.281.20000113G84 T252 V253 L254G84-S250 PolarHBondContact O-N 2.65Å; S250-T252 PolarHBondContact O-N 3Å; S250-T252 VanDerWaalsContact O-N 3.13Å; S250-T252 PolarHBondContact OG-N 2.93Å; S250-V253 PolarHBondContact O-N 3.4Å; S250-V253 PolarHBondContact OG-N 2.85Å; S250-L254 WeakPolarHBondContact O-CG 3.26Å; S250-L254 PolarHBondContact O-N 2.72Å
251P98.4Very high97.5Very high9 Ų937.2 Ų37.26%0.05820%0.197CC..Hα-helixtrans-49-35170.2-33.239.1000114.3W126 Y213 K255 F261W126-P251 VanDerWaalsContact CZ2-CD 3.45Å; W126-P251 HydrophobicContact CZ2-CG 4.45Å; W126-P251 VanDerWaalsContact NE1-CD 3.3Å; Y213-P251 HydrophobicContact CD1-CG 3.83Å; Y213-P251 HydrophobicContact CE1-CB 4.49Å; Y213-P251 HydrophobicContact CE1-CG 3.28Å; Y213-P251 HydrophobicContact CE2-CG 4.45Å; P251-K255 VanDerWaalsContact O-CB 3.32Å; P251-K255 WeakPolarHBondContact O-CB 3.47Å; P251-K255 PolarHBondContact O-N 2.8Å; P251-F261 HydrophobicContact CB-CE2 3.73Å; P251-F261 HydrophobicContact CB-CZ 3.56Å; P251-F261 HydrophobicContact CG-CE2 4.21Å; P251-F261 WeakPolarHBondContact O-CE1 3.33Å
252T98.1Very high97.6Very high85 Ų8538.7 Ų38.752%0.52121%0.205SC..Hα-helixtrans-65.3-50.9176.8-52.60000110.8S250 L254 K255 E256S250-T252 PolarHBondContact O-N 3Å; S250-T252 VanDerWaalsContact O-N 3.13Å; S250-T252 PolarHBondContact OG-N 2.93Å; T252-L254 VanDerWaalsContact C-N 3.34Å; T252-L254 PolarHBondContact O-N 2.58Å; T252-K255 PolarHBondContact O-N 2.97Å; T252-E256 HydrophobicContact CG2-CG 4.49Å; T252-E256 WeakPolarHBondContact CG2-OE1 3.47Å; T252-E256 WeakPolarHBondContact O-CB 3.31Å; T252-E256 VanDerWaalsContact O-CG 3.32Å; T252-E256 WeakPolarHBondContact O-CG 3.31Å; T252-E256 PolarHBondContact O-N 3Å
253V98.4Very high97.7Very high8 Ų843.8 Ų43.85%0.04822%0.224CC..Hα-helixtrans-64.2-39.8-179.8177.60000111.1A83 V85 L230 I249 S250 E256 N257A83-V253 WeakPolarHBondContact O-CG2 3.3Å; V85-V253 HydrophobicContact CG2-CG1 4.09Å; V85-V253 HydrophobicContact CG2-CG2 4.01Å; L230-V253 HydrophobicContact CD1-CG1 3.9Å; I249-V253 HydrophobicContact CG2-CB 3.85Å; I249-V253 HydrophobicContact CG2-CG1 3.69Å; S250-V253 PolarHBondContact O-N 3.4Å; S250-V253 PolarHBondContact OG-N 2.85Å; V253-E256 PolarHBondContact O-N 3.28Å; V253-N257 WeakPolarHBondContact O-CB 3.49Å; V253-N257 PolarHBondContact O-N 3.2Å; V253-N257 VanDerWaalsContact O-N 3.09Å; V253-N257 PolarHBondContact O-ND2 3.03Å
254L98.6Very high97.9Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-60.6-45.6174.4-67179.2000111.9W191 L223 L226 I249 S250 T252 N257 G258 I259 F261W191-L254 HydrophobicContact CH2-CD1 4Å; W191-L254 HydrophobicContact CZ2-CD1 3.49Å; W191-L254 VanDerWaalsContact CZ2-CD1 3.49Å; L223-L254 HydrophobicContact CD1-CD2 3.54Å; L226-L254 HydrophobicContact CD2-CD2 4.13Å; I249-L254 HydrophobicContact CB-CD2 4.43Å; I249-L254 HydrophobicContact CG2-CD2 3.76Å; I249-L254 HydrophobicContact CG2-CG 4.01Å; S250-L254 WeakPolarHBondContact O-CG 3.26Å; S250-L254 PolarHBondContact O-N 2.72Å; T252-L254 VanDerWaalsContact C-N 3.34Å; T252-L254 PolarHBondContact O-N 2.58Å; L254-N257 CarbonylContact O-C 3.56Å; L254-N257 PolarHBondContact O-N 3.09Å; L254-G258 PolarHBondContact O-N 3.41Å; L254-G258 VanDerWaalsContact O-N 3.11Å; L254-I259 HydrophobicContact CB-CB 4.26Å; L254-I259 HydrophobicContact CD2-CB 4.03Å; L254-I259 HydrophobicContact CD2-CG1 4.2Å; L254-I259 HydrophobicContact CD2-CG2 4.09Å; L254-I259 PolarHBondContact O-N 3.05Å; L254-F261 HydrophobicContact CB-CD1 3.73Å; L254-F261 HydrophobicContact CB-CE1 3.94Å; L254-F261 HydrophobicContact CB-CG 4.48Å; L254-F261 HydrophobicContact CD1-CB 4.14Å; L254-F261 HydrophobicContact CD1-CD1 4.02Å; L254-F261 HydrophobicContact CD1-CD2 4.44Å; L254-F261 HydrophobicContact CD1-CG 3.93Å
255K98.3Very high98.1Very high167 Ų16744.1 Ų44.173%0.72623%0.228SC*.Hα-helixtrans-65.2-42.6178.8-170.9176.5-177.8178.70112.3P251 T252 N257 G258 F261P251-K255 VanDerWaalsContact O-CB 3.32Å; P251-K255 WeakPolarHBondContact O-CB 3.47Å; P251-K255 PolarHBondContact O-N 2.8Å; T252-K255 PolarHBondContact O-N 2.97Å; K255-N257 VanDerWaalsContact C-N 3.27Å; K255-N257 PolarHBondContact O-N 2.83Å; K255-G258 PolarHBondContact O-N 3.18Å; K255-G258 VanDerWaalsContact O-N 3.14Å; K255-F261 HydrophobicContact CB-CE1 4.33Å
256E98.3Very high98.3Very high143 Ų14341 Ų4167%0.66822%0.215SC*.Hα-helixtrans-62.8-32.8177.3-74.1167.7171.800112.4T252 V253T252-E256 HydrophobicContact CG2-CG 4.49Å; T252-E256 WeakPolarHBondContact CG2-OE1 3.47Å; T252-E256 WeakPolarHBondContact O-CB 3.31Å; T252-E256 VanDerWaalsContact O-CG 3.32Å; T252-E256 WeakPolarHBondContact O-CG 3.31Å; T252-E256 PolarHBondContact O-N 3Å; V253-E256 PolarHBondContact O-N 3.28Å
257N98.5Very high98.4Very high75 Ų7544 Ų4440%0.40123%0.227SC..THydrogen-bonded Turntrans-94.911.3176.6-67.5-84.8000113.3L226 V253 L254 K255 I259L226-N257 HydrophobicContact CD1-CB 3.85Å; L226-N257 HydrophobicContact CD2-CB 3.75Å; L226-N257 HydrophobicContact CG-CB 4.43Å; V253-N257 WeakPolarHBondContact O-CB 3.49Å; V253-N257 PolarHBondContact O-N 3.2Å; V253-N257 VanDerWaalsContact O-N 3.09Å; V253-N257 PolarHBondContact O-ND2 3.03Å; L254-N257 CarbonylContact O-C 3.56Å; L254-N257 PolarHBondContact O-N 3.09Å; K255-N257 VanDerWaalsContact C-N 3.27Å; K255-N257 PolarHBondContact O-N 2.83Å; N257-I259 HydrophobicContact CB-CG1 4.44Å; N257-I259 PolarHBondContact O-N 2.93Å
258G98.1Very high98.5Very high41 Ų4146.5 Ų46.542%0.42325%0.247SC..THydrogen-bonded Turntrans63.521.3175.100000115.4R222 L254 K255 P260R222-G258 PolarHBondContact NH2-O 2.86Å; L254-G258 PolarHBondContact O-N 3.41Å; L254-G258 VanDerWaalsContact O-N 3.11Å; K255-G258 PolarHBondContact O-N 3.18Å; K255-G258 VanDerWaalsContact O-N 3.14Å; G258-P260 WeakPolarHBondContact O-CD 3.31Å
259I98.6Very high98.5Very high10 Ų1047.5 Ų47.55%0.05126%0.258CS..  trans-77.2119.9175-54-57.3000108.6V215 R222 L226 L254 N257 F261V215-I259 HydrophobicContact CG1-CG2 4.26Å; V215-I259 HydrophobicContact CG2-CG2 3.95Å; R222-I259 HydrophobicContact CB-CD1 3.81Å; L226-I259 HydrophobicContact CB-CD1 4.44Å; L226-I259 HydrophobicContact CD2-CD1 4.34Å; L226-I259 HydrophobicContact CD2-CG1 3.63Å; L254-I259 HydrophobicContact CB-CB 4.26Å; L254-I259 HydrophobicContact CD2-CB 4.03Å; L254-I259 HydrophobicContact CD2-CG1 4.2Å; L254-I259 HydrophobicContact CD2-CG2 4.09Å; L254-I259 PolarHBondContact O-N 3.05Å; N257-I259 HydrophobicContact CB-CG1 4.44Å; N257-I259 PolarHBondContact O-N 2.93Å; I259-F261 PolarHBondContact O-N 3.17Å
260P98.3Very high98.5Very high46 Ų4648.5 Ų48.530%0.29926%0.263SS..  trans-70.5132.9175.7-18.935.3000109.8P216 H219 R222 G258P216-P260 WeakPolarHBondContact CD-O 3.39Å; H219-P260 VanDerWaalsContact CD2-CG 3.43Å; H219-P260 WeakPolarHBondContact CD2-CG 3.44Å; R222-P260 VanDerWaalsContact NH1-CD 3.34Å; G258-P260 WeakPolarHBondContact O-CD 3.31Å
261F98.7Very high98.5Very high44 Ų4448.3 Ų48.319%0.19326%0.261CS..  trans-151154.3177.175.1-81.9000109.8Y213 V214 V215 P251 L254 K255 I259Y213-F261 HydrophobicContact CD1-CD2 4.43Å; Y213-F261 HydrophobicContact CD1-CE2 4.4Å; V214-F261 CarbonylContact O-C 3.53Å; V214-F261 WeakPolarHBondContact O-CA 3.27Å; V214-F261 VanDerWaalsContact O-CB 3.26Å; V214-F261 WeakPolarHBondContact O-CB 3.23Å; V215-F261 HydrophobicContact CG2-CB 4.05Å; P251-F261 HydrophobicContact CB-CE2 3.73Å; P251-F261 HydrophobicContact CB-CZ 3.56Å; P251-F261 HydrophobicContact CG-CE2 4.21Å; P251-F261 WeakPolarHBondContact O-CE1 3.33Å; L254-F261 HydrophobicContact CB-CD1 3.73Å; L254-F261 HydrophobicContact CB-CE1 3.94Å; L254-F261 HydrophobicContact CB-CG 4.48Å; L254-F261 HydrophobicContact CD1-CB 4.14Å; L254-F261 HydrophobicContact CD1-CD1 4.02Å; L254-F261 HydrophobicContact CD1-CD2 4.44Å; L254-F261 HydrophobicContact CD1-CG 3.93Å; K255-F261 HydrophobicContact CB-CE1 4.33Å; I259-F261 PolarHBondContact O-N 3.17Å
262N98.6Very high98.6Very high36 Ų3647.9 Ų47.919%0.19326%0.258CS..EExtended strand (participates in β ladder)trans-117.4165.2171.9-65.978.5000109.7C16 N17 I18 Y213 V214C16-N262 PolarHBondContact O-OD1 3.18Å; N17-N262 PolarHBondContact OD1-ND2 3Å; N17-N262 VanDerWaalsContact OD1-ND2 3.15Å; I18-N262 HydrophobicContact CD1-CB 3.58Å; I18-N262 HydrophobicContact CG1-CB 3.69Å; Y213-N262 WeakPolarHBondContact CA-O 3.28Å; V214-N262 HydrophobicContact CG1-CB 4.04Å; V214-N262 PolarHBondContact N-O 2.82Å; V214-N262 PolarHBondContact O-N 3Å
263R98.4Very high98.6Very high112 Ų11243.9 Ų43.942%0.42323%0.234SC..EExtended strand (participates in β ladder)trans-132.6149.8174.973.1176.872.4-178.6-13.2110.2E122 W212 Y213E122-R263 IonicContact OE1-CZ 3.79Å; E122-R263 IonicContact OE1-NE 3.95Å; E122-R263 IonicContact OE1-NH1 2.83Å; E122-R263 PolarHBondContact OE1-NH1 2.82Å; E122-R263 IonicContact OE1-NH2 2.75Å; E122-R263 PolarHBondContact OE1-NH2 3.44Å; E122-R263 IonicContact OE2-CZ 2.98Å; E122-R263 IonicContact OE2-NH1 3.95Å; E122-R263 PolarHBondContact OE2-NH1 2.69Å; E122-R263 IonicContact OE2-NH2 3.41Å; W212-R263 VanDerWaalsContact O-CA 3.26Å; W212-R263 WeakPolarHBondContact O-CA 3.41Å; Y213-R263 HydrophobicContact CD1-CB 3.84Å; Y213-R263 HydrophobicContact CE1-CB 4.09Å
264I98.8Very high98.6Very high24 Ų2443.6 Ų43.612%0.12323%0.232CC..EExtended strand (participates in β ladder)trans-151.4153.6169.7-166.5162.1000109.9I18 I20 L48 K50 T211 W212 M272I18-I264 HydrophobicContact CD1-CB 3.87Å; I18-I264 HydrophobicContact CD1-CG2 3.8Å; I18-I264 HydrophobicContact CG2-CB 4.36Å; I18-I264 HydrophobicContact CG2-CD1 3.68Å; I18-I264 HydrophobicContact CG2-CG2 4.25Å; I20-I264 HydrophobicContact CD1-CD1 4Å; I20-I264 HydrophobicContact CG1-CD1 4Å; L48-I264 HydrophobicContact CD2-CG2 3.92Å; K50-I264 HydrophobicContact CB-CD1 3.97Å; K50-I264 HydrophobicContact CD-CD1 4.17Å; T211-I264 WeakPolarHBondContact CA-O 3.1Å; W212-I264 HydrophobicContact CB-CG2 4.09Å; W212-I264 PolarHBondContact N-O 3.1Å; W212-I264 PolarHBondContact O-N 3.09Å; I264-M272 HydrophobicContact CG2-CE 3.58Å
265T98.8Very high98.6Very high23 Ų2343.7 Ų43.714%0.14123%0.232CC..EExtended strand (participates in β ladder)trans-107.5127.1170.4-61.60000108.5K50 F118 P209 T211K50-T265 WeakPolarHBondContact CE-O 3.18Å; K50-T265 PolarHBondContact NZ-O 3.18Å; F118-T265 HydrophobicContact CD2-CG2 4.18Å; F118-T265 HydrophobicContact CE2-CG2 4Å; F118-T265 HydrophobicContact CZ-CG2 4.18Å; P209-T265 HydrophobicContact CB-CG2 3.46Å; P209-T265 VanDerWaalsContact CB-CG2 3.46Å; P209-T265 HydrophobicContact CG-CG2 4.41Å; T211-T265 PolarHBondContact OG1-OG1 2.98Å
266Q98.8Very high98.5Very high0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-92.9130172.7179.1-168.316.900108.7N202 L204 P209 K210 E270 M272N202-Q266 PolarHBondContact O-NE2 3.4Å; N202-Q266 PolarHBondContact OD1-NE2 2.83Å; N202-Q266 PolarHBondContact OD1-OE1 3.04Å; L204-Q266 HydrophobicContact CB-CG 4.03Å; L204-Q266 HydrophobicContact CD2-CG 4.16Å; L204-Q266 WeakPolarHBondContact CD2-O 3.42Å; P209-Q266 CarbonylContact C-O 3.39Å; P209-Q266 VanDerWaalsContact CA-O 3.23Å; P209-Q266 WeakPolarHBondContact CA-O 3.44Å; P209-Q266 VanDerWaalsContact CB-O 3.27Å; P209-Q266 WeakPolarHBondContact CB-O 3.42Å; K210-Q266 HydrophobicContact CB-CB 4.43Å; K210-Q266 PolarHBondContact N-O 2.88Å; K210-Q266 PolarHBondContact O-N 3.44Å; Q266-E270 VanDerWaalsContact CA-OE2 3.31Å; Q266-E270 WeakPolarHBondContact CA-OE2 3.4Å; Q266-E270 HydrophobicContact CG-CB 4.13Å; Q266-E270 PolarHBondContact NE2-O 3.38Å; Q266-M272 HydrophobicContact CB-CG 3.81Å; Q266-M272 HydrophobicContact CB-SD 3.97Å; Q266-M272 HydrophobicContact CG-CG 3.61Å; Q266-M272 HydrophobicContact CG-SD 4.12Å
267E98.8Very high98.5Very high92 Ų9230 Ų3043%0.4317%0.17SC..  trans-107.6166178.9-61.6-176.2-121.900110.3P209 G269 E270P209-E267 HydrophobicContact CB-CG 4.41Å; P209-E267 HydrophobicContact CG-CG 4.27Å; E267-G269 PolarHBondContact O-N 2.91Å; E267-E270 PolarHBondContact N-OE2 2.99Å; E267-E270 WeakPolarHBondContact O-CB 3.17Å; E267-E270 PolarHBondContact O-N 3.12Å
268A98.7Very high98.5Very high53 Ų5326.4 Ų26.444%0.43815%0.151SC..THydrogen-bonded Turntrans-64.2137-176.700000111.1L204L204-A268 CarbonylContact O-C 3.54Å; L204-A268 WeakPolarHBondContact O-CA 3.39Å
269G98.6Very high98.5Very high23 Ų2324.8 Ų24.824%0.23713%0.133CC..THydrogen-bonded Turntrans89.7-1.7-172.700000114.8P53 Y203 L204 E267P53-G269 WeakPolarHBondContact CD-O 3.27Å; P53-G269 WeakPolarHBondContact CG-O 3.24Å; Y203-G269 WeakPolarHBondContact CE2-O 3.43Å; L204-G269 PolarHBondContact O-N 2.8Å; E267-G269 PolarHBondContact O-N 2.91Å
270E98.8Very high98.5Very high23 Ų2324.5 Ų24.511%0.10713%0.131CC..  trans-103145.2179.9-58.3-177.9139.700113.5K50 V52 L204 Q266 E267K50-E270 WeakPolarHBondContact CD-OE1 3.49Å; K50-E270 WeakPolarHBondContact CE-OE1 3.42Å; K50-E270 WeakPolarHBondContact CE-OE2 3.45Å; K50-E270 IonicContact NZ-OE1 2.82Å; K50-E270 PolarHBondContact NZ-OE1 3.23Å; K50-E270 IonicContact NZ-OE2 3.39Å; K50-E270 PolarHBondContact NZ-OE2 2.85Å; V52-E270 HydrophobicContact CG2-CG 4.35Å; L204-E270 PolarHBondContact N-O 3.18Å; L204-E270 VanDerWaalsContact N-O 3.14Å; Q266-E270 VanDerWaalsContact CA-OE2 3.31Å; Q266-E270 WeakPolarHBondContact CA-OE2 3.4Å; Q266-E270 HydrophobicContact CG-CB 4.13Å; Q266-E270 PolarHBondContact NE2-O 3.38Å; E267-E270 PolarHBondContact N-OE2 2.99Å; E267-E270 WeakPolarHBondContact O-CB 3.17Å; E267-E270 PolarHBondContact O-N 3.12Å
271F98.9Very high98.6Very high0 Ų022.5 Ų22.50%012%0.118CC..EExtended strand (participates in β ladder)trans-94.1146.1169-66.9-93.6000111.5F28 K50 I51 P53 W57 F145 W152 L154 I201 N202 Y203F28-F271 HydrophobicContact CE2-CE2 4.46Å; F28-F271 HydrophobicContact CZ-CD2 4.29Å; F28-F271 AromaticContact CZ-CE2 3.66Å; F28-F271 HydrophobicContact CZ-CE2 3.66Å; F28-F271 HydrophobicContact CZ-CZ 4.19Å; K50-F271 WeakPolarHBondContact CA-O 3.43Å; I51-F271 HydrophobicContact CB-CB 4.17Å; I51-F271 HydrophobicContact CD1-CB 4.36Å; I51-F271 PolarHBondContact N-O 2.81Å; I51-F271 PolarHBondContact O-N 3.11Å; P53-F271 HydrophobicContact CB-CE2 4.27Å; P53-F271 HydrophobicContact CG-CD2 4.37Å; P53-F271 HydrophobicContact CG-CE2 4.25Å; W57-F271 AromaticContact CH2-CE2 3.58Å; W57-F271 HydrophobicContact CH2-CE2 3.58Å; W57-F271 AromaticContact CH2-CZ 3.42Å; W57-F271 HydrophobicContact CH2-CZ 3.42Å; W57-F271 VanDerWaalsContact CH2-CZ 3.42Å; W57-F271 HydrophobicContact CZ2-CE2 4.3Å; W57-F271 AromaticContact CZ2-CZ 3.97Å; W57-F271 HydrophobicContact CZ2-CZ 3.97Å; W57-F271 AromaticContact CZ3-CE2 3.73Å; W57-F271 HydrophobicContact CZ3-CE2 3.73Å; W57-F271 HydrophobicContact CZ3-CZ 4.07Å; F145-F271 HydrophobicContact CZ-CE1 4.33Å; F145-F271 HydrophobicContact CZ-CZ 4.39Å; W152-F271 HydrophobicContact CB-CE1 4.28Å; W152-F271 HydrophobicContact CB-CZ 3.9Å; W152-F271 HydrophobicContact CE3-CD1 4.1Å; W152-F271 HydrophobicContact CE3-CD2 4.35Å; W152-F271 HydrophobicContact CE3-CE1 4.13Å; W152-F271 HydrophobicContact CE3-CE2 4.43Å; W152-F271 HydrophobicContact CE3-CG 4.18Å; W152-F271 HydrophobicContact CE3-CZ 4.29Å; W152-F271 HydrophobicContact CZ3-CG 4.42Å; L154-F271 HydrophobicContact CD2-CE1 4.19Å; I201-F271 HydrophobicContact CD1-CD1 3.62Å; I201-F271 HydrophobicContact CD1-CE1 4.13Å; I201-F271 HydrophobicContact CD1-CG 4.42Å; I201-F271 HydrophobicContact CG1-CD1 3.82Å; N202-F271 CarbonylContact O-C 3.52Å; N202-F271 VanDerWaalsContact O-CA 3.31Å; N202-F271 WeakPolarHBondContact O-CA 3.32Å; Y203-F271 AromaticContact CD2-CD1 3.71Å; Y203-F271 HydrophobicContact CD2-CD1 3.71Å; Y203-F271 AromaticContact CD2-CD2 3.64Å; Y203-F271 HydrophobicContact CD2-CD2 3.64Å; Y203-F271 AromaticContact CD2-CE1 3.6Å; Y203-F271 HydrophobicContact CD2-CE1 3.6Å; Y203-F271 AromaticContact CD2-CE2 3.48Å; Y203-F271 HydrophobicContact CD2-CE2 3.48Å; Y203-F271 VanDerWaalsContact CD2-CE2 3.48Å; Y203-F271 AromaticContact CD2-CG 3.76Å; Y203-F271 HydrophobicContact CD2-CG 3.76Å; Y203-F271 AromaticContact CD2-CZ 3.49Å; Y203-F271 HydrophobicContact CD2-CZ 3.49Å; Y203-F271 VanDerWaalsContact CD2-CZ 3.49Å; Y203-F271 HydrophobicContact CE2-CD2 4.05Å; Y203-F271 AromaticContact CE2-CE2 3.68Å; Y203-F271 HydrophobicContact CE2-CE2 3.68Å; Y203-F271 AromaticContact CE2-CZ 3.98Å; Y203-F271 HydrophobicContact CE2-CZ 3.98Å; Y203-F271 HydrophobicContact CG-CD1 4.12Å; Y203-F271 AromaticContact CG-CE1 3.85Å; Y203-F271 HydrophobicContact CG-CE1 3.85Å; Y203-F271 HydrophobicContact CG-CE2 4.45Å; Y203-F271 HydrophobicContact CG-CZ 4.04Å
272M98.9Very high98.6Very high1 Ų120.6 Ų20.61%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-121.1134.1165.9-61.6-60.2-54.300108.9L48 A49 K50 I201 N202 W212 I264 Q266L48-M272 HydrophobicContact CD1-CB 4.28Å; L48-M272 HydrophobicContact CD1-CE 3.65Å; L48-M272 HydrophobicContact CD2-CE 3.68Å; L48-M272 HydrophobicContact CG-CE 3.52Å; A49-M272 CarbonylContact O-C 3.53Å; A49-M272 WeakPolarHBondContact O-CA 3.22Å; A49-M272 WeakPolarHBondContact O-CE 3.3Å; K50-M272 HydrophobicContact CB-CE 4.11Å; K50-M272 HydrophobicContact CB-SD 3.63Å; K50-M272 HydrophobicContact CG-SD 3.85Å; I201-M272 CarbonylContact C-O 3.59Å; I201-M272 WeakPolarHBondContact CA-O 3.39Å; N202-M272 HydrophobicContact CB-CB 4.46Å; N202-M272 PolarHBondContact N-O 2.82Å; N202-M272 PolarHBondContact O-N 3.22Å; W212-M272 HydrophobicContact CZ2-CB 4.05Å; W212-M272 HydrophobicContact CZ2-CG 4.2Å; I264-M272 HydrophobicContact CG2-CE 3.58Å; Q266-M272 HydrophobicContact CB-CG 3.81Å; Q266-M272 HydrophobicContact CB-SD 3.97Å; Q266-M272 HydrophobicContact CG-CG 3.61Å; Q266-M272 HydrophobicContact CG-SD 4.12Å
273V98.7Very high98.6Very high0 Ų018.9 Ų18.90%010%0.102CC..EExtended strand (participates in β ladder)trans-116119.6174168.20000109I35 L48 A49 I51 Y199 S200 I201 F275 F295I35-V273 HydrophobicContact CD1-CG1 4.45Å; I35-V273 HydrophobicContact CD1-CG2 4.28Å; L48-V273 CarbonylContact C-O 3.52Å; L48-V273 VanDerWaalsContact CA-O 3.31Å; L48-V273 WeakPolarHBondContact CA-O 3.29Å; A49-V273 PolarHBondContact N-O 3.26Å; A49-V273 PolarHBondContact O-N 3.03Å; I51-V273 HydrophobicContact CD1-CB 4.07Å; I51-V273 HydrophobicContact CD1-CG2 3.61Å; Y199-V273 HydrophobicContact CD1-CG1 4.45Å; S200-V273 CarbonylContact O-C 3.52Å; S200-V273 VanDerWaalsContact O-CA 3.31Å; S200-V273 WeakPolarHBondContact O-CA 3.34Å; I201-V273 HydrophobicContact CB-CG2 4.2Å; I201-V273 HydrophobicContact CD1-CG2 3.98Å; I201-V273 HydrophobicContact CG1-CG2 4.03Å; V273-F275 HydrophobicContact CG1-CD2 4.36Å; V273-F275 HydrophobicContact CG1-CE1 4.46Å; V273-F275 HydrophobicContact CG1-CE2 3.97Å; V273-F275 HydrophobicContact CG1-CZ 4.02Å; V273-F295 HydrophobicContact CG1-CE1 3.97Å; V273-F295 HydrophobicContact CG1-CZ 3.75Å; V273-F295 HydrophobicContact CG2-CE1 4.39Å
274T98.6Very high98.6Very high2 Ų213.5 Ų13.51%0.0128%0.081CC..EExtended strand (participates in β ladder)trans-87146.6167.576.50000109.2G47 L48 Y199 S200 W212G47-T274 WeakPolarHBondContact O-CA 3.49Å; L48-T274 HydrophobicContact CD1-CG2 3.9Å; Y199-T274 WeakPolarHBondContact CA-O 3.3Å; Y199-T274 WeakPolarHBondContact CB-O 3.48Å; S200-T274 PolarHBondContact N-O 2.85Å; S200-T274 PolarHBondContact N-OG1 3.31Å; S200-T274 PolarHBondContact O-N 2.97Å; S200-T274 WeakPolarHBondContact OG-CG2 3.28Å; S200-T274 PolarHBondContact OG-OG1 3.19Å; W212-T274 HydrophobicContact CZ3-CG2 4.08Å
275F98.3Very high98.6Very high2 Ų212.5 Ų12.51%0.0098%0.076CC..  trans-108.6158.8-179.2-67.7-97.9000111.1E39 A43 H44 G47 A49 Y199 V273 Y277 G278E39-F275 HydrophobicContact CG-CD1 4.38Å; E39-F275 HydrophobicContact CG-CE1 3.81Å; A43-F275 HydrophobicContact CB-CE2 4.42Å; A43-F275 HydrophobicContact CB-CZ 4.01Å; H44-F275 VanDerWaalsContact CA-CD1 3.45Å; H44-F275 HydrophobicContact CB-CB 4.3Å; H44-F275 HydrophobicContact CB-CD1 3.34Å; H44-F275 HydrophobicContact CB-CE1 3.73Å; H44-F275 HydrophobicContact CB-CG 3.86Å; H44-F275 HydrophobicContact CB-CZ 4.5Å; G47-F275 PolarHBondContact O-N 3.31Å; A49-F275 HydrophobicContact CB-CE2 3.74Å; A49-F275 HydrophobicContact CB-CZ 4.22Å; Y199-F275 AromaticContact CD1-CD1 3.91Å; Y199-F275 HydrophobicContact CD1-CD1 3.91Å; Y199-F275 HydrophobicContact CD1-CE1 4.45Å; Y199-F275 HydrophobicContact CD1-CG 4.38Å; Y199-F275 AromaticContact CE1-CD1 3.46Å; Y199-F275 HydrophobicContact CE1-CD1 3.46Å; Y199-F275 VanDerWaalsContact CE1-CD1 3.46Å; Y199-F275 AromaticContact CE1-CE1 3.98Å; Y199-F275 HydrophobicContact CE1-CE1 3.98Å; Y199-F275 HydrophobicContact CE1-CG 4.29Å; V273-F275 HydrophobicContact CG1-CD2 4.36Å; V273-F275 HydrophobicContact CG1-CE1 4.46Å; V273-F275 HydrophobicContact CG1-CE2 3.97Å; V273-F275 HydrophobicContact CG1-CZ 4.02Å; F275-Y277 PolarHBondContact O-N 3.32Å; F275-G278 WeakPolarHBondContact O-CA 3.44Å; F275-G278 PolarHBondContact O-N 3.2Å
276P97.1Very high98.6Very high0 Ų011.4 Ų11.40%07%0.07CC..THydrogen-bonded Turntrans-50.5130.2-178.5-32.938.2000113.5D197 Y199 G278 W300 Y303D197-P276 WeakPolarHBondContact O-CA 3.17Å; D197-P276 VanDerWaalsContact O-CB 3.25Å; D197-P276 WeakPolarHBondContact O-CB 3.49Å; Y199-P276 HydrophobicContact CD1-CG 4.43Å; Y199-P276 HydrophobicContact CD2-CG 3.59Å; Y199-P276 VanDerWaalsContact CE1-CD 3.5Å; Y199-P276 HydrophobicContact CE1-CG 4.24Å; Y199-P276 HydrophobicContact CE2-CG 3.32Å; Y199-P276 HydrophobicContact CG-CG 4.12Å; Y199-P276 VanDerWaalsContact CZ-CD 3.42Å; P276-G278 PolarHBondContact O-N 3.14Å; P276-G278 VanDerWaalsContact O-N 3.15Å; P276-W300 HydrophobicContact CG-CB 3.96Å; P276-W300 HydrophobicContact CG-CG 4.47Å; P276-Y303 HydrophobicContact CB-CD1 3.48Å; P276-Y303 VanDerWaalsContact CB-CD1 3.48Å; P276-Y303 HydrophobicContact CB-CD2 3.78Å; P276-Y303 HydrophobicContact CB-CE1 3.67Å; P276-Y303 HydrophobicContact CB-CE2 3.99Å; P276-Y303 HydrophobicContact CB-CG 3.51Å; P276-Y303 HydrophobicContact CG-CD2 4.49Å; P276-Y303 VanDerWaalsContact O-CE1 3.3Å; P276-Y303 WeakPolarHBondContact O-CE1 3.4Å
277Y97.9Very high98.6Very high22 Ų2212.3 Ų12.39%0.0867%0.074CC..THydrogen-bonded Turntrans59.713.6-175.7-162.8-119.7000115.2T193 P217 Q221 E224 F275 Y279 H347T193-Y277 HydrophobicContact CG2-CD2 4.35Å; T193-Y277 WeakPolarHBondContact CG2-O 3.37Å; P217-Y277 HydrophobicContact CB-CD1 4.35Å; P217-Y277 WeakPolarHBondContact O-CD1 3.42Å; Q221-Y277 HydrophobicContact CG-CE1 4.45Å; Q221-Y277 VanDerWaalsContact CG-OH 3.28Å; Q221-Y277 WeakPolarHBondContact CG-OH 3.5Å; Q221-Y277 PolarHBondContact N-OH 2.74Å; E224-Y277 WeakPolarHBondContact OE1-CE2 3.49Å; E224-Y277 PolarHBondContact OE1-OH 3.48Å; E224-Y277 PolarHBondContact OE2-OH 2.71Å; F275-Y277 PolarHBondContact O-N 3.32Å; Y277-Y279 HydrophobicContact CD2-CE2 4.38Å; Y277-Y279 AromaticContact CE2-CE2 3.83Å; Y277-Y279 HydrophobicContact CE2-CE2 3.83Å; Y277-Y279 PolarHBondContact O-N 3.1Å; Y277-Y279 VanDerWaalsContact O-N 3.1Å; Y277-H347 AromaticContact CD1-CE1 3.81Å
278G98.2Very high98.6Very high1 Ų17.9 Ų7.91%0.015%0.053CC..  trans-7591.2172.300000111.8F275 P276 H280F275-G278 WeakPolarHBondContact O-CA 3.44Å; F275-G278 PolarHBondContact O-N 3.2Å; P276-G278 PolarHBondContact O-N 3.14Å; P276-G278 VanDerWaalsContact O-N 3.15Å; G278-H280 PolarHBondContact O-N 3.3Å; G278-H280 PolarHBondContact O-ND1 2.96Å
279Y98.8Very high98.6Very high7 Ų75.4 Ų5.43%0.0273%0.032CC..EExtended strand (participates in β ladder)trans-60.3128.5178.4-92.7-76.6000110.4W191 H192 T193 V214 V215 L223 E224 L242 Y277W191-Y279 WeakPolarHBondContact CZ3-O 3.25Å; H192-Y279 VanDerWaalsContact C-CD1 3.5Å; H192-Y279 WeakPolarHBondContact O-CA 3.39Å; T193-Y279 HydrophobicContact CG2-CD1 3.86Å; T193-Y279 HydrophobicContact CG2-CD2 3.68Å; T193-Y279 HydrophobicContact CG2-CE1 4.09Å; T193-Y279 HydrophobicContact CG2-CE2 3.96Å; T193-Y279 HydrophobicContact CG2-CG 3.63Å; V214-Y279 CarbonylContact C-O 3.57Å; V214-Y279 VanDerWaalsContact CA-O 3.28Å; V214-Y279 WeakPolarHBondContact CA-O 3.43Å; V214-Y279 WeakPolarHBondContact CG2-O 3.26Å; V215-Y279 PolarHBondContact N-O 3.39Å; L223-Y279 HydrophobicContact CD2-CD1 3.83Å; L223-Y279 HydrophobicContact CD2-CD2 4.27Å; L223-Y279 HydrophobicContact CD2-CG 3.64Å; E224-Y279 HydrophobicContact CG-CE2 3.88Å; E224-Y279 WeakPolarHBondContact CG-OH 3.33Å; E224-Y279 PolarHBondContact OE1-OH 2.9Å; L242-Y279 HydrophobicContact CB-CE1 4.07Å; L242-Y279 HydrophobicContact CD1-CD1 4.38Å; L242-Y279 HydrophobicContact CD1-CE1 3.55Å; L242-Y279 HydrophobicContact CG-CE1 4.45Å; Y277-Y279 HydrophobicContact CD2-CE2 4.38Å; Y277-Y279 AromaticContact CE2-CE2 3.83Å; Y277-Y279 HydrophobicContact CE2-CE2 3.83Å; Y277-Y279 PolarHBondContact O-N 3.1Å; Y277-Y279 VanDerWaalsContact O-N 3.1Å
280H98.9Very high98.6Very high4 Ų44.3 Ų4.32%0.0192%0.021CC..EExtended strand (participates in β ladder)trans-142.8156.3-178.663.6-88.8000112.9W191 H192 E194 W212 Y213 V214 G278W191-H280 WeakPolarHBondContact CA-O 3.18Å; H192-H280 AromaticContact CE1-CD2 3.84Å; H192-H280 AromaticContact CE1-CE1 3.94Å; H192-H280 AromaticContact CE1-NE2 3.2Å; H192-H280 PolarHBondContact CE1-NE2 3.22Å; H192-H280 PolarHBondContact N-O 3.27Å; H192-H280 VanDerWaalsContact N-O 3.12Å; H192-H280 AromaticContact ND1-NE2 3.84Å; H192-H280 AromaticContact NE2-NE2 3.65Å; H192-H280 PolarHBondContact O-N 2.91Å; E194-H280 IonicContact OE1-CE1 3.02Å; E194-H280 PolarHBondContact OE1-CE1 2.85Å; E194-H280 VanDerWaalsContact OE1-CE1 3.24Å; E194-H280 IonicContact OE1-NE2 3.55Å; W212-H280 AromaticContact CZ3-CD2 3.64Å; Y213-H280 WeakPolarHBondContact O-CA 3.47Å; Y213-H280 WeakPolarHBondContact O-CB 3.38Å; V214-H280 HydrophobicContact CG2-CB 4.45Å; G278-H280 PolarHBondContact O-N 3.3Å; G278-H280 PolarHBondContact O-ND1 2.96Å
281A98.8Very high98.6Very high4 Ų43.2 Ų3.23%0.0332%0.016CC..EExtended strand (participates in β ladder)trans-154.2168.4178.300000110.1F189 W191 W212 Y213F189-A281 WeakPolarHBondContact CE2-O 2.81Å; F189-A281 WeakPolarHBondContact O-CA 3.42Å; W191-A281 HydrophobicContact CB-CB 4.42Å; W191-A281 HydrophobicContact CD2-CB 3.47Å; W191-A281 VanDerWaalsContact CD2-CB 3.47Å; W191-A281 HydrophobicContact CE3-CB 3.91Å; W191-A281 HydrophobicContact CG-CB 3.73Å; W191-A281 HydrophobicContact CH2-CB 4.43Å; W191-A281 HydrophobicContact CZ2-CB 4.02Å; W191-A281 HydrophobicContact CZ3-CB 4.38Å; W212-A281 CarbonylContact C-O 3.03Å; Y213-A281 PolarHBondContact N-O 3.44Å; Y213-A281 PolarHBondContact O-N 3.33Å
282G98.6Very high98.4Very high3 Ų33.8 Ų3.83%0.0312%0.021CC..EExtended strand (participates in β ladder)trans169-171.5178.700000115.9T188 F189 T211T188-G282 WeakPolarHBondContact CA-O 3.26Å; T188-G282 WeakPolarHBondContact CG2-O 3.17Å; F189-G282 WeakPolarHBondContact CD1-O 3.48Å; F189-G282 VanDerWaalsContact CE2-N 3.29Å; F189-G282 PolarHBondContact N-O 3.45Å; F189-G282 PolarHBondContact O-N 3.08Å; T211-G282 CarbonylContact O-C 3.52Å; T211-G282 WeakPolarHBondContact O-CA 3.46Å
283F98.8Very high98.1Very high0 Ų04.4 Ų4.40%02%0.024CC..EExtended strand (participates in β ladder)trans-149.6151.1-175.568.4-85.2000113.4E122 Y125 W185 T187 T211 Y213 H285E122-F283 HydrophobicContact CB-CZ 4.32Å; E122-F283 HydrophobicContact CG-CE1 4.4Å; E122-F283 HydrophobicContact CG-CZ 4.48Å; Y125-F283 AromaticContact CD1-CD1 3.61Å; Y125-F283 HydrophobicContact CD1-CD1 3.61Å; Y125-F283 AromaticContact CD1-CE1 3.88Å; Y125-F283 HydrophobicContact CD1-CE1 3.88Å; Y125-F283 AromaticContact CD1-CG 3.98Å; Y125-F283 HydrophobicContact CD1-CG 3.98Å; Y125-F283 HydrophobicContact CD1-CZ 4.46Å; Y125-F283 HydrophobicContact CD2-CB 3.77Å; Y125-F283 HydrophobicContact CD2-CD1 4.12Å; Y125-F283 AromaticContact CD2-CD2 3.78Å; Y125-F283 HydrophobicContact CD2-CD2 3.78Å; Y125-F283 HydrophobicContact CD2-CE2 4.44Å; Y125-F283 AromaticContact CD2-CG 3.6Å; Y125-F283 HydrophobicContact CD2-CG 3.6Å; Y125-F283 HydrophobicContact CE1-CB 4.28Å; Y125-F283 AromaticContact CE1-CD1 3.76Å; Y125-F283 HydrophobicContact CE1-CD1 3.76Å; Y125-F283 HydrophobicContact CE1-CE1 4.43Å; Y125-F283 HydrophobicContact CE1-CG 4.12Å; Y125-F283 HydrophobicContact CE2-CB 3.42Å; Y125-F283 VanDerWaalsContact CE2-CB 3.42Å; Y125-F283 HydrophobicContact CE2-CD1 4.26Å; Y125-F283 HydrophobicContact CE2-CD2 4.34Å; Y125-F283 AromaticContact CE2-CG 3.76Å; Y125-F283 HydrophobicContact CE2-CG 3.76Å; Y125-F283 HydrophobicContact CG-CB 4.35Å; Y125-F283 AromaticContact CG-CD1 3.82Å; Y125-F283 HydrophobicContact CG-CD1 3.82Å; Y125-F283 AromaticContact CG-CD2 3.91Å; Y125-F283 HydrophobicContact CG-CD2 3.91Å; Y125-F283 HydrophobicContact CG-CE1 4.08Å; Y125-F283 HydrophobicContact CG-CE2 4.17Å; Y125-F283 AromaticContact CG-CG 3.74Å; Y125-F283 HydrophobicContact CG-CG 3.74Å; Y125-F283 HydrophobicContact CG-CZ 4.25Å; W185-F283 HydrophobicContact CZ3-CD2 4.13Å; W185-F283 AromaticContact CZ3-CE2 4Å; W185-F283 HydrophobicContact CZ3-CE2 4Å; T187-F283 CarbonylContact O-C 3.53Å; T187-F283 VanDerWaalsContact O-CA 3.25Å; T187-F283 WeakPolarHBondContact O-CA 3.18Å; T211-F283 HydrophobicContact CG2-CD1 4.4Å; T211-F283 HydrophobicContact CG2-CE1 3.71Å; T211-F283 HydrophobicContact CG2-CZ 4.16Å; T211-F283 PolarHBondContact N-O 2.93Å; T211-F283 PolarHBondContact O-N 3.1Å; Y213-F283 HydrophobicContact CE2-CD1 4.31Å; Y213-F283 HydrophobicContact CE2-CE1 4.34Å; F283-H285 AromaticContact CE2-CD2 3.67Å; F283-H285 AromaticContact CE2-NE2 3.85Å
284N98.8Very high97.8Very high0 Ų05 Ų50%03%0.027CC..EExtended strand (participates in β ladder)trans-87.7140.6174.5-59.9-65.4000111.4Y136 K186 T187 K210 N288Y136-N284 WeakPolarHBondContact CE2-ND2 3.46Å; K186-N284 PolarHBondContact N-O 3.41Å; T187-N284 PolarHBondContact O-N 2.94Å; T187-N284 WeakPolarHBondContact OG1-CB 3.28Å; T187-N284 PolarHBondContact OG1-ND2 2.89Å; K210-N284 WeakPolarHBondContact CG-OD1 3.48Å; K210-N284 PolarHBondContact NZ-OD1 2.79Å; N284-N288 PolarHBondContact OD1-ND2 2.99Å; N284-N288 PolarHBondContact OD1-OD1 3.23Å
285H98.8Very high97.3Very high2 Ų24.9 Ų4.91%0.0093%0.026CC..  trans-79-29-176.3-71.6-152.4000112.4T112 F118 L121 E208 P209 T211 F283T112-H285 WeakPolarHBondContact CB-O 3.49Å; T112-H285 WeakPolarHBondContact CG2-O 3.47Å; T112-H285 PolarHBondContact OG1-O 2.92Å; F118-H285 AromaticContact CD1-CE1 3.47Å; F118-H285 VanDerWaalsContact CD1-CE1 3.47Å; F118-H285 WeakPolarHBondContact CD1-CE1 3.38Å; F118-H285 AromaticContact CD1-ND1 3.73Å; F118-H285 AromaticContact CE1-CE1 3.9Å; F118-H285 AromaticContact CE1-ND1 3.87Å; L121-H285 HydrophobicContact CD2-CB 3.81Å; L121-H285 WeakPolarHBondContact CD2-ND1 3.38Å; E208-H285 HydrophobicContact CB-CB 4.16Å; P209-H285 HydrophobicContact CB-CB 4.45Å; P209-H285 VanDerWaalsContact O-CB 3.26Å; P209-H285 WeakPolarHBondContact O-CB 3.23Å; P209-H285 PolarHBondContact O-CD2 2.77Å; P209-H285 PolarHBondContact O-N 3.19Å; T211-H285 PolarHBondContact OG1-NE2 2.76Å; F283-H285 AromaticContact CE2-CD2 3.67Å; F283-H285 AromaticContact CE2-NE2 3.85Å
286G98.7Very high96.8Very high1 Ų14.8 Ų4.81%0.013%0.026CC..SBendtrans-172.8-150.9179.100000110.9T112 G183 M184 N288T112-G286 WeakPolarHBondContact OG1-CA 3.19Å; G183-G286 CarbonylContact C-O 3.6Å; M184-G286 CarbonylContact C-O 3.5Å; M184-G286 WeakPolarHBondContact CA-O 3.48Å; M184-G286 PolarHBondContact N-O 2.95Å; G286-N288 PolarHBondContact O-N 3.26Å
287F98.8Very high96.3Very high18 Ų185.7 Ų5.78%0.0793%0.032CC..SBendtrans-65.2121.9176.6173-101.7000110.8V98 Y101 R102 A105 G183 L206 G207 E208V98-F287 HydrophobicContact CG1-CZ 4.37Å; Y101-F287 HydrophobicContact CD1-CD2 4.13Å; Y101-F287 AromaticContact CD1-CE2 4Å; Y101-F287 HydrophobicContact CD1-CE2 4Å; Y101-F287 HydrophobicContact CE1-CD2 4.16Å; Y101-F287 HydrophobicContact CE1-CE2 4.32Å; R102-F287 HydrophobicContact CB-CD2 3.97Å; R102-F287 HydrophobicContact CB-CE1 4.31Å; R102-F287 HydrophobicContact CB-CE2 3.65Å; R102-F287 HydrophobicContact CB-CG 4.44Å; R102-F287 HydrophobicContact CB-CZ 3.83Å; R102-F287 HydrophobicContact CG-CD1 3.91Å; R102-F287 HydrophobicContact CG-CD2 4.1Å; R102-F287 HydrophobicContact CG-CE1 3.82Å; R102-F287 HydrophobicContact CG-CE2 4.02Å; R102-F287 HydrophobicContact CG-CG 4.05Å; R102-F287 HydrophobicContact CG-CZ 3.88Å; A105-F287 HydrophobicContact CB-CB 3.95Å; A105-F287 HydrophobicContact CB-CD2 4.18Å; A105-F287 HydrophobicContact CB-CG 4.49Å; G183-F287 WeakPolarHBondContact O-CA 3.38Å; L206-F287 HydrophobicContact CD1-CD1 4.36Å; L206-F287 HydrophobicContact CD1-CE1 3.6Å; L206-F287 HydrophobicContact CD1-CZ 4.23Å; G207-F287 WeakPolarHBondContact CA-O 3.46Å; E208-F287 PolarHBondContact N-O 2.91Å
288N98.9Very high95.7Very high0 Ų06.7 Ų6.70%04%0.041CC..EExtended strand (participates in β ladder)trans-149.7167.5175.669.217.8000112.2F182 G183 L204 L206 E208 N284 G286F182-N288 CarbonylContact C-O 3.52Å; F182-N288 VanDerWaalsContact CA-O 3.29Å; F182-N288 WeakPolarHBondContact CA-O 3.38Å; G183-N288 WeakPolarHBondContact CA-OD1 3.4Å; G183-N288 PolarHBondContact N-O 3.27Å; G183-N288 PolarHBondContact N-OD1 3.17Å; G183-N288 VanDerWaalsContact N-OD1 3.16Å; G183-N288 PolarHBondContact O-N 3.3Å; L204-N288 HydrophobicContact CD1-CB 4.06Å; L206-N288 VanDerWaalsContact O-CA 3.3Å; L206-N288 WeakPolarHBondContact O-CA 3.42Å; L206-N288 WeakPolarHBondContact O-CB 3.48Å; E208-N288 WeakPolarHBondContact O-CB 3.36Å; E208-N288 PolarHBondContact O-ND2 3.09Å; N284-N288 PolarHBondContact OD1-ND2 2.99Å; N284-N288 PolarHBondContact OD1-OD1 3.23Å; G286-N288 PolarHBondContact O-N 3.26Å
289C98.8Very high95.2Very high0 Ų07.1 Ų7.10%04%0.042CC..EExtended strand (participates in β ladder)trans-129.9129.2168.5-174.30000109.1L144 Y181 F182 H205 L206L144-C289 VanDerWaalsContact CD1-SG 3.55Å; Y181-C289 WeakPolarHBondContact O-CA 3.1Å; F182-C289 HydrophobicContact CD1-CB 3.8Å; F182-C289 HydrophobicContact CE1-CB 3.71Å; F182-C289 WeakPolarHBondContact CE1-SG 3.43Å; H205-C289 WeakPolarHBondContact CB-O 3.44Å; H205-C289 PolarHBondContact N-O 3.34Å; L206-C289 HydrophobicContact CD1-CB 4.35Å; L206-C289 HydrophobicContact CD2-CB 3.89Å; L206-C289 HydrophobicContact CG-CB 3.83Å; L206-C289 PolarHBondContact N-O 3.15Å; L206-C289 PolarHBondContact O-N 2.84Å
290A98.7Very high94.9Very high0 Ų06.8 Ų6.80%04%0.041CC..EExtended strand (participates in β ladder)trans-124.6151.2170.300000110.5L180 Y181 Y203 L204L180-A290 CarbonylContact C-O 3.53Å; L180-A290 WeakPolarHBondContact CA-O 3.29Å; Y181-A290 PolarHBondContact N-O 2.73Å; Y181-A290 PolarHBondContact O-N 3.32Å; Y203-A290 CarbonylContact O-C 3.45Å; Y203-A290 WeakPolarHBondContact O-CA 3.48Å; Y203-A290 WeakPolarHBondContact O-CB 3.36Å; L204-A290 HydrophobicContact CD1-CB 3.85Å
291E98.2Very high94.4Very high0 Ų06.6 Ų6.60%04%0.04CC..EExtended strand (participates in β ladder)trans-113.2143.5169.9-173.3170.2145.200108.7S143 L144 F145 L154 P178 Y179 L180 N202 Y203 H205S143-E291 WeakPolarHBondContact CA-OE1 3.3Å; S143-E291 VanDerWaalsContact CA-OE2 3.25Å; S143-E291 WeakPolarHBondContact CA-OE2 3.46Å; S143-E291 VanDerWaalsContact CB-OE1 3.23Å; S143-E291 WeakPolarHBondContact CB-OE1 3.47Å; S143-E291 VanDerWaalsContact OG-CD 3.25Å; S143-E291 PolarHBondContact OG-OE1 2.81Å; S143-E291 PolarHBondContact OG-OE2 3.24Å; L144-E291 PolarHBondContact N-OE2 2.85Å; F145-E291 WeakPolarHBondContact CD2-OE1 3.15Å; F145-E291 WeakPolarHBondContact CD2-OE2 3.36Å; F145-E291 HydrophobicContact CE2-CB 4.49Å; L154-E291 HydrophobicContact CB-CG 4.38Å; L154-E291 HydrophobicContact CD1-CB 4.23Å; L154-E291 HydrophobicContact CD1-CG 4.1Å; P178-E291 HydrophobicContact CB-CG 3.96Å; P178-E291 WeakPolarHBondContact CB-OE1 3.45Å; Y179-E291 CarbonylContact O-C 3.58Å; Y179-E291 WeakPolarHBondContact O-CA 3.38Å; L180-E291 HydrophobicContact CD2-CB 3.79Å; L180-E291 HydrophobicContact CD2-CG 3.8Å; L180-E291 WeakPolarHBondContact CD2-OE2 3.17Å; N202-E291 CarbonylContact C-O 3.5Å; N202-E291 VanDerWaalsContact CA-O 3.31Å; N202-E291 WeakPolarHBondContact CA-O 3.47Å; N202-E291 PolarHBondContact ND2-O 3.13Å; Y203-E291 PolarHBondContact N-O 3.12Å; Y203-E291 PolarHBondContact O-N 2.84Å; H205-E291 IonicContact CE1-OE2 2.68Å; H205-E291 VanDerWaalsContact NE2-CB 3.28Å; H205-E291 WeakPolarHBondContact NE2-CB 3.43Å; H205-E291 IonicContact NE2-OE2 2.74Å; H205-E291 PolarHBondContact NE2-OE2 2.94Å; H205-E291 VanDerWaalsContact NE2-OE2 3.15Å
292A95.8Very high94Very high13 Ų137.1 Ų7.111%0.1074%0.042CC..EExtended strand (participates in β ladder)trans-146.3152.4175.100000112.7P178 Y179 Y181 I201 N202P178-A292 WeakPolarHBondContact CA-O 3.48Å; Y179-A292 PolarHBondContact N-O 2.79Å; Y179-A292 PolarHBondContact O-N 2.92Å; Y181-A292 HydrophobicContact CD2-CB 4.38Å; Y181-A292 HydrophobicContact CE2-CB 3.76Å; I201-A292 WeakPolarHBondContact O-CA 3.31Å; I201-A292 WeakPolarHBondContact O-CB 3.46Å; N202-A292 HydrophobicContact CB-CB 4.24Å
293I92.9Very high93.7Very high14 Ų147.5 Ų7.57%0.0724%0.043CC..EExtended strand (participates in β ladder)trans-146.5150.3171.8-165.5174.7000108.6L154 L157 P178 S200 I201L154-I293 HydrophobicContact CB-CG2 4.08Å; L154-I293 HydrophobicContact CD2-CG2 4.5Å; L154-I293 WeakPolarHBondContact O-CD1 3.39Å; L157-I293 HydrophobicContact CD1-CG2 3.54Å; L157-I293 HydrophobicContact CG-CG2 4.47Å; P178-I293 HydrophobicContact CB-CB 4.45Å; S200-I293 WeakPolarHBondContact CA-O 3.26Å; I201-I293 HydrophobicContact CG2-CG2 3.74Å; I201-I293 PolarHBondContact N-O 3.41Å; I201-I293 PolarHBondContact O-N 2.9Å
294N91.3Very high93.3Very high11 Ų117.6 Ų7.66%0.0594%0.044CC..EExtended strand (participates in β ladder)trans-73.6154.7167.5-63.9118.5000111.4Q161 G174 E194 L198 Y199Q161-N294 VanDerWaalsContact NE2-C 3.29Å; Q161-N294 PolarHBondContact NE2-O 3.28Å; G174-N294 PolarHBondContact O-N 2.98Å; G174-N294 PolarHBondContact O-OD1 2.87Å; E194-N294 WeakPolarHBondContact CB-ND2 3.37Å; E194-N294 VanDerWaalsContact CD-ND2 3.27Å; E194-N294 WeakPolarHBondContact CG-ND2 3.43Å; E194-N294 PolarHBondContact OE2-ND2 3.45Å; L198-N294 HydrophobicContact CB-CB 4.04Å; L198-N294 HydrophobicContact CD1-CB 3.82Å; Y199-N294 CarbonylContact O-C 3.57Å; Y199-N294 WeakPolarHBondContact O-CA 3.35Å; Y199-N294 WeakPolarHBondContact O-CB 3.45Å; Y199-N294 PolarHBondContact O-ND2 3.34Å; Y199-N294 VanDerWaalsContact O-ND2 3.12Å
295F89.2Confident92.7Very high0 Ų09.7 Ų9.70%05%0.053CC..EExtended strand (participates in β ladder)trans-138.9159.3167.273.8-86000113.4F31 I35 L157 T159 Q161 L198 Y199 I201 V273 T297F31-F295 HydrophobicContact CE1-CD1 4.41Å; F31-F295 AromaticContact CE1-CD2 3.74Å; F31-F295 HydrophobicContact CE1-CD2 3.74Å; F31-F295 AromaticContact CE1-CE2 3.93Å; F31-F295 HydrophobicContact CE1-CE2 3.93Å; F31-F295 AromaticContact CE1-CG 4Å; F31-F295 HydrophobicContact CE1-CG 4Å; F31-F295 HydrophobicContact CE1-CZ 4.34Å; F31-F295 AromaticContact CZ-CD1 3.96Å; F31-F295 HydrophobicContact CZ-CD1 3.96Å; F31-F295 AromaticContact CZ-CD2 3.98Å; F31-F295 HydrophobicContact CZ-CD2 3.98Å; F31-F295 AromaticContact CZ-CE1 3.86Å; F31-F295 HydrophobicContact CZ-CE1 3.86Å; F31-F295 AromaticContact CZ-CE2 3.89Å; F31-F295 HydrophobicContact CZ-CE2 3.89Å; F31-F295 HydrophobicContact CZ-CG 4.02Å; F31-F295 AromaticContact CZ-CZ 3.81Å; F31-F295 HydrophobicContact CZ-CZ 3.81Å; I35-F295 HydrophobicContact CD1-CE2 4.09Å; I35-F295 HydrophobicContact CD1-CZ 3.72Å; I35-F295 HydrophobicContact CG1-CE2 3.83Å; I35-F295 HydrophobicContact CG1-CZ 4.01Å; I35-F295 HydrophobicContact CG2-CE2 4.07Å; I35-F295 HydrophobicContact CG2-CZ 4.44Å; L157-F295 HydrophobicContact CD1-CB 4.22Å; T159-F295 HydrophobicContact CG2-CB 4.24Å; Q161-F295 VanDerWaalsContact NE2-CA 3.28Å; Q161-F295 VanDerWaalsContact OE1-CA 3.25Å; L198-F295 WeakPolarHBondContact CD2-O 3.41Å; Y199-F295 VanDerWaalsContact CB-CE1 3.44Å; Y199-F295 VanDerWaalsContact CB-CZ 3.44Å; Y199-F295 VanDerWaalsContact CB-O 3.31Å; Y199-F295 WeakPolarHBondContact CB-O 3.18Å; Y199-F295 HydrophobicContact CD1-CE1 4.36Å; Y199-F295 AromaticContact CD1-CE2 3.67Å; Y199-F295 HydrophobicContact CD1-CE2 3.67Å; Y199-F295 AromaticContact CD1-CZ 3.54Å; Y199-F295 HydrophobicContact CD1-CZ 3.54Å; Y199-F295 HydrophobicContact CD2-CD2 4.38Å; Y199-F295 HydrophobicContact CD2-CE2 4.17Å; Y199-F295 WeakPolarHBondContact CD2-O 3.33Å; Y199-F295 HydrophobicContact CE1-CE2 4.34Å; Y199-F295 HydrophobicContact CE1-CZ 4.47Å; Y199-F295 HydrophobicContact CG-CD2 4.09Å; Y199-F295 HydrophobicContact CG-CE1 4.21Å; Y199-F295 AromaticContact CG-CE2 3.6Å; Y199-F295 HydrophobicContact CG-CE2 3.6Å; Y199-F295 AromaticContact CG-CZ 3.68Å; Y199-F295 HydrophobicContact CG-CZ 3.68Å; Y199-F295 PolarHBondContact N-O 3.1Å; Y199-F295 PolarHBondContact O-N 2.86Å; I201-F295 HydrophobicContact CB-CD1 4.08Å; I201-F295 HydrophobicContact CB-CE1 3.94Å; I201-F295 HydrophobicContact CG2-CD1 3.96Å; I201-F295 HydrophobicContact CG2-CE1 4.32Å; V273-F295 HydrophobicContact CG1-CE1 3.97Å; V273-F295 HydrophobicContact CG1-CZ 3.75Å; V273-F295 HydrophobicContact CG2-CE1 4.39Å; F295-T297 HydrophobicContact CD2-CG2 4.27Å; F295-T297 HydrophobicContact CE2-CG2 4.03Å
296A86.4Confident92.2Very high1 Ų114.9 Ų14.91%0.0088%0.078CC..  trans-123.1140.3-179.200000111.8I160 L198 W300I160-A296 HydrophobicContact CB-CB 4.19Å; I160-A296 HydrophobicContact CG2-CB 4.29Å; L198-A296 HydrophobicContact CD2-CB 3.76Å; A296-W300 HydrophobicContact CB-CD2 4.29Å; A296-W300 HydrophobicContact CB-CE3 3.73Å; A296-W300 HydrophobicContact CB-CZ3 4.11Å
297T86.6Confident91.8Very high18 Ų1815.5 Ų15.511%0.118%0.083CC..  trans-122.5168.2170.375.40000109.6I35 Y199 F295 R299 W300I35-T297 HydrophobicContact CG2-CG2 4.06Å; Y199-T297 HydrophobicContact CD2-CG2 4.17Å; Y199-T297 HydrophobicContact CE1-CG2 4.29Å; Y199-T297 HydrophobicContact CE2-CG2 3.6Å; Y199-T297 WeakPolarHBondContact CE2-OG1 3.4Å; Y199-T297 PolarHBondContact OH-OG1 2.9Å; F295-T297 HydrophobicContact CD2-CG2 4.27Å; F295-T297 HydrophobicContact CE2-CG2 4.03Å; T297-R299 PolarHBondContact O-N 2.83Å; T297-R299 VanDerWaalsContact O-N 3.12Å; T297-R299 PolarHBondContact OG1-N 2.76Å; T297-W300 PolarHBondContact O-N 2.91Å; T297-W300 VanDerWaalsContact O-N 3.1Å
298P85.5Confident91.3Very high44 Ų4416.6 Ų16.629%0.2869%0.093SC..THydrogen-bonded Turntrans-58.9-21.4173.7-25.436.2000114.6I160I160-P298 HydrophobicContact CD1-CG 4.29Å
299R89.1Confident90.7Very high10 Ų1020.2 Ų20.24%0.03811%0.11CC..THydrogen-bonded Turntrans-70.1-38.5174.7178.8167.414680.32.7112.5E39 H44 T297 I301 Y303 D346 H347 E349 K351E39-R299 WeakPolarHBondContact OE1-CD 3.46Å; E39-R299 IonicContact OE1-NE 2.82Å; E39-R299 PolarHBondContact OE1-NE 2.85Å; E39-R299 WeakPolarHBondContact OE2-CD 3.19Å; H44-R299 PolarHBondContact CD2-NH2 2.83Å; T297-R299 PolarHBondContact O-N 2.83Å; T297-R299 VanDerWaalsContact O-N 3.12Å; T297-R299 PolarHBondContact OG1-N 2.76Å; R299-I301 VanDerWaalsContact C-N 3.26Å; R299-I301 PolarHBondContact O-N 3.32Å; R299-Y303 HydrophobicContact CG-CE2 4.35Å; R299-Y303 PolarHBondContact NH2-OH 3.4Å; R299-D346 PolarHBondContact NH1-O 2.93Å; R299-H347 PolarHBondContact NH2-O 3.1Å; R299-H347 VanDerWaalsContact NH2-O 3.11Å; R299-E349 PolarHBondContact NH1-O 2.85Å; R299-K351 HydrophobicContact CB-CB 3.72Å; R299-K351 HydrophobicContact CB-CD 4.22Å; R299-K351 HydrophobicContact CG-CB 4.03Å; R299-K351 HydrophobicContact CG-CD 4.47Å
300W91Very high90.3Very high0 Ų020.5 Ų20.50%011%0.112CC..THydrogen-bonded Turntrans-66.4-22.5-177.1160.879.7000113.9M196 D197 L198 Y199 P276 A296 T297 D302 Y303 G304 F319 M321 F324M196-W300 HydrophobicContact CB-CZ2 4.18Å; M196-W300 PolarHBondContact O-NE1 3.14Å; D197-W300 PolarHBondContact O-NE1 3.26Å; L198-W300 HydrophobicContact CD2-CD2 3.63Å; L198-W300 HydrophobicContact CD2-CE3 4.15Å; L198-W300 HydrophobicContact CD2-CG 4.12Å; L198-W300 HydrophobicContact CD2-CH2 4.13Å; L198-W300 HydrophobicContact CD2-CZ2 3.62Å; L198-W300 HydrophobicContact CD2-CZ3 4.37Å; L198-W300 HydrophobicContact CG-CZ2 3.99Å; Y199-W300 HydrophobicContact CD2-CB 4.15Å; Y199-W300 HydrophobicContact CE2-CB 3.72Å; P276-W300 HydrophobicContact CG-CB 3.96Å; P276-W300 HydrophobicContact CG-CG 4.47Å; A296-W300 HydrophobicContact CB-CD2 4.29Å; A296-W300 HydrophobicContact CB-CE3 3.73Å; A296-W300 HydrophobicContact CB-CZ3 4.11Å; T297-W300 PolarHBondContact O-N 2.91Å; T297-W300 VanDerWaalsContact O-N 3.1Å; W300-D302 PolarHBondContact O-N 2.59Å; W300-D302 VanDerWaalsContact O-N 3.1Å; W300-Y303 CarbonylContact O-C 3.5Å; W300-Y303 WeakPolarHBondContact O-CA 3.29Å; W300-Y303 VanDerWaalsContact O-CB 3.27Å; W300-Y303 WeakPolarHBondContact O-CB 3.5Å; W300-Y303 PolarHBondContact O-N 3.27Å; W300-G304 PolarHBondContact O-N 2.95Å; W300-F319 AromaticContact CH2-CE2 3.88Å; W300-F319 HydrophobicContact CH2-CE2 3.88Å; W300-F319 HydrophobicContact CH2-CZ 4.09Å; W300-F319 HydrophobicContact CZ2-CE2 4.1Å; W300-F319 AromaticContact CZ2-CZ 3.93Å; W300-F319 HydrophobicContact CZ2-CZ 3.93Å; W300-M321 HydrophobicContact CH2-CE 3.56Å; W300-M321 HydrophobicContact CH2-SD 3.5Å; W300-M321 WeakPolarHBondContact CH2-SD 3.3Å; W300-M321 HydrophobicContact CZ2-CE 4.03Å; W300-M321 HydrophobicContact CZ2-SD 3.76Å; W300-M321 HydrophobicContact CZ3-CE 3.97Å; W300-M321 HydrophobicContact CZ3-SD 4.45Å; W300-F324 HydrophobicContact CE3-CE1 4.41Å; W300-F324 AromaticContact CH2-CD1 3.9Å; W300-F324 HydrophobicContact CH2-CD1 3.9Å; W300-F324 HydrophobicContact CH2-CD2 4.26Å; W300-F324 AromaticContact CH2-CE1 3.58Å; W300-F324 HydrophobicContact CH2-CE1 3.58Å; W300-F324 HydrophobicContact CH2-CE2 4.03Å; W300-F324 HydrophobicContact CH2-CG 4.14Å; W300-F324 AromaticContact CH2-CZ 3.61Å; W300-F324 HydrophobicContact CH2-CZ 3.61Å; W300-F324 AromaticContact CZ3-CD1 3.39Å; W300-F324 HydrophobicContact CZ3-CD1 3.39Å; W300-F324 AromaticContact CZ3-CE1 3.29Å; W300-F324 HydrophobicContact CZ3-CE1 3.29Å; W300-F324 HydrophobicContact CZ3-CE2 4.49Å; W300-F324 AromaticContact CZ3-CG 3.94Å; W300-F324 HydrophobicContact CZ3-CG 3.94Å; W300-F324 AromaticContact CZ3-CZ 3.86Å; W300-F324 HydrophobicContact CZ3-CZ 3.86Å
301I88.1Confident89.6Confident0 Ų025.2 Ų25.20%015%0.145CC..Hα-helixtrans-54-39.9-174.7-53.5-68.2000112.7R299 K305 M321 F324 V325 L328 Q329R299-I301 VanDerWaalsContact C-N 3.26Å; R299-I301 PolarHBondContact O-N 3.32Å; I301-K305 WeakPolarHBondContact O-CG 3.35Å; I301-K305 PolarHBondContact O-N 3.17Å; I301-M321 HydrophobicContact CG2-CE 4.47Å; I301-F324 HydrophobicContact CD1-CB 3.87Å; I301-F324 HydrophobicContact CD1-CD1 4.04Å; I301-F324 HydrophobicContact CD1-CG 4.41Å; I301-V325 HydrophobicContact CG2-CG2 4.21Å; I301-L328 HydrophobicContact CD1-CB 4.27Å; I301-L328 HydrophobicContact CD1-CD1 3.42Å; I301-L328 VanDerWaalsContact CD1-CD1 3.42Å; I301-L328 HydrophobicContact CD1-CG 4.47Å; I301-L328 HydrophobicContact CG1-CB 4.35Å; I301-L328 HydrophobicContact CG1-CD1 4.16Å; I301-Q329 HydrophobicContact CG2-CG 4.12Å
302D90.9Very high89.1Confident15 Ų1528 Ų288%0.0816%0.164CC..Hα-helixtrans-75.8-24.6178.8-63-56.8000112.9W300 K305 Q329 R332 V345 K351W300-D302 PolarHBondContact O-N 2.59Å; W300-D302 VanDerWaalsContact O-N 3.1Å; D302-K305 IonicContact OD1-NZ 3.37Å; D302-Q329 PolarHBondContact OD1-NE2 2.78Å; D302-Q329 PolarHBondContact OD2-NE2 2.93Å; D302-Q329 VanDerWaalsContact OD2-NE2 3.16Å; D302-R332 IonicContact OD1-CZ 2.68Å; D302-R332 IonicContact OD1-NH1 3.5Å; D302-R332 PolarHBondContact OD1-NH1 2.97Å; D302-R332 IonicContact OD1-NH2 3.53Å; D302-R332 PolarHBondContact OD1-NH2 3.28Å; D302-R332 IonicContact OD2-NH1 2.88Å; D302-R332 PolarHBondContact OD2-NH1 2.86Å; D302-V345 HydrophobicContact CB-CG2 3.63Å; D302-V345 WeakPolarHBondContact O-CG2 3.38Å; D302-K351 IonicContact OD2-NZ 2.66Å; D302-K351 PolarHBondContact OD2-NZ 3.05Å
303Y92.4Very high88.3Confident11 Ų1129.8 Ų29.84%0.04318%0.184CC..Hα-helixtrans-70.4-51.2168.6-72.1-102.8000111P276 R299 W300 K305 M306 A307 V345 H347P276-Y303 HydrophobicContact CB-CD1 3.48Å; P276-Y303 VanDerWaalsContact CB-CD1 3.48Å; P276-Y303 HydrophobicContact CB-CD2 3.78Å; P276-Y303 HydrophobicContact CB-CE1 3.67Å; P276-Y303 HydrophobicContact CB-CE2 3.99Å; P276-Y303 HydrophobicContact CB-CG 3.51Å; P276-Y303 HydrophobicContact CG-CD2 4.49Å; P276-Y303 VanDerWaalsContact O-CE1 3.3Å; P276-Y303 WeakPolarHBondContact O-CE1 3.4Å; R299-Y303 HydrophobicContact CG-CE2 4.35Å; R299-Y303 PolarHBondContact NH2-OH 3.4Å; W300-Y303 CarbonylContact O-C 3.5Å; W300-Y303 WeakPolarHBondContact O-CA 3.29Å; W300-Y303 VanDerWaalsContact O-CB 3.27Å; W300-Y303 WeakPolarHBondContact O-CB 3.5Å; W300-Y303 PolarHBondContact O-N 3.27Å; Y303-K305 PolarHBondContact O-N 2.84Å; Y303-K305 VanDerWaalsContact O-N 3.16Å; Y303-M306 CarbonylContact O-C 3.55Å; Y303-M306 PolarHBondContact O-N 3.38Å; Y303-A307 PolarHBondContact O-N 2.71Å; Y303-V345 HydrophobicContact CD1-CG1 4.15Å; Y303-V345 HydrophobicContact CD2-CG1 4Å; Y303-V345 HydrophobicContact CD2-CG2 4.06Å; Y303-V345 HydrophobicContact CE1-CG1 3.69Å; Y303-V345 HydrophobicContact CE2-CG1 3.48Å; Y303-V345 VanDerWaalsContact CE2-CG1 3.48Å; Y303-V345 HydrophobicContact CE2-CG2 4.31Å; Y303-V345 HydrophobicContact CG-CG1 4.31Å; Y303-V345 HydrophobicContact CG-CG2 4.31Å; Y303-H347 AromaticContact CE1-CE1 3.77Å; Y303-H347 AromaticContact CE1-ND1 3.55Å; Y303-H347 AromaticContact CZ-ND1 3.6Å; Y303-H347 PolarHBondContact OH-ND1 2.84Å
304G89.5Confident87.2Confident2 Ų236.1 Ų36.12%0.02121%0.213CC..Hα-helixtrans-59-29.3-179.700000113.7M196 W300 M306M196-G304 WeakPolarHBondContact CE-O 3.33Å; W300-G304 PolarHBondContact O-N 2.95Å; G304-M306 VanDerWaalsContact C-N 3.32Å; G304-M306 PolarHBondContact O-N 2.99Å
305K88.2Confident86.3Confident43 Ų4336.9 Ų36.919%0.18722%0.221CC..THydrogen-bonded Turntrans-65.9-29.1171.7-75.3175.9-176.8171.90114.4I301 D302 Y303 V325 R332 W336 D341I301-K305 WeakPolarHBondContact O-CG 3.35Å; I301-K305 PolarHBondContact O-N 3.17Å; D302-K305 IonicContact OD1-NZ 3.37Å; Y303-K305 PolarHBondContact O-N 2.84Å; Y303-K305 VanDerWaalsContact O-N 3.16Å; K305-V325 HydrophobicContact CD-CG2 4.4Å; K305-V325 HydrophobicContact CG-CG2 4.23Å; K305-R332 VanDerWaalsContact NZ-NH2 3.12Å; K305-W336 HydrophobicContact CD-CG 4.45Å; K305-D341 IonicContact NZ-OD2 3.67Å; K305-D341 PolarHBondContact NZ-OD2 2.86Å
306M88.1Confident85.2Confident111 Ų11144.8 Ų44.855%0.54725%0.251SS..THydrogen-bonded Turntrans-111-2-174.9-65.9-166.3-6500113.7Y303 G304 S308 V345Y303-M306 CarbonylContact O-C 3.55Å; Y303-M306 PolarHBondContact O-N 3.38Å; G304-M306 VanDerWaalsContact C-N 3.32Å; G304-M306 PolarHBondContact O-N 2.99Å; M306-S308 PolarHBondContact O-N 3.34Å; M306-V345 HydrophobicContact CE-CB 3.6Å; M306-V345 HydrophobicContact CE-CG2 3.31Å
307A89.9Confident84.3Confident14 Ų1447.3 Ų47.312%0.11627%0.266CS..PPolyproline II helixtrans-56.6128.3-174.300000112.6M196 D197 Y303 Q309M196-A307 HydrophobicContact CE-CB 4.26Å; M196-A307 HydrophobicContact SD-CB 4.49Å; D197-A307 HydrophobicContact CB-CB 4.2Å; D197-A307 VanDerWaalsContact OD2-CA 3.3Å; D197-A307 WeakPolarHBondContact OD2-CA 3.44Å; D197-A307 VanDerWaalsContact OD2-CB 3.29Å; D197-A307 WeakPolarHBondContact OD2-CB 3.14Å; Y303-A307 PolarHBondContact O-N 2.71Å; A307-Q309 PolarHBondContact O-N 2.99Å
308S87.6Confident83.4Confident41 Ų4149.8 Ų49.829%0.28728%0.281SS..PPolyproline II helixtrans-72.9120.7-179.659.80000111.2R243 M306R243-S308 PolarHBondContact NE-O 2.82Å; R243-S308 PolarHBondContact NH2-O 3.08Å; R243-S308 PolarHBondContact NH2-OG 3.24Å; M306-S308 PolarHBondContact O-N 3.34Å
309Q87.2Confident82.8Confident77 Ų7748.6 Ų48.636%0.3627%0.271SS..PPolyproline II helixtrans-98.7147.8-177.7-63.8-168.1-1.800113.2M196 A240 A307 S311 T318M196-Q309 HydrophobicContact SD-CG 4.25Å; M196-Q309 PolarHBondContact SD-NE2 3Å; A240-Q309 WeakPolarHBondContact CB-O 3.46Å; A307-Q309 PolarHBondContact O-N 2.99Å; Q309-S311 PolarHBondContact O-N 2.81Å; Q309-T318 PolarHBondContact NE2-OG1 3.3Å
310C88.8Confident82.2Confident5 Ų551.9 Ų51.93%0.03430%0.296CS..PPolyproline II helixtrans-64.9119.3167.9174.30000110.3R243 H244 A315R243-C310 HydrophobicContact CB-CB 4.32Å; H244-C310 PolarHBondContact NE2-SG 3.21Å; C310-A315 HydrophobicContact CB-CB 4.34Å; C310-A315 WeakPolarHBondContact CB-O 3.35Å; C310-A315 PolarHBondContact SG-N 3.35Å
311S85.6Confident81.8Confident100 Ų10052.6 Ų52.670%0.69930%0.299SS*.SBendtrans-97.4-14.6-179.657.40000114.6Q309Q309-S311 PolarHBondContact O-N 2.81Å
312C88Confident81.6Confident58 Ų5854.3 Ų54.339%0.39231%0.308SS..SBendtrans-87.6-6.7179.969.80000114.4C238 H244C238-C312 HydrophobicContact CB-CB 4.2Å; H244-C312 PolarHBondContact CE1-SG 2.69Å
313G77.4Confident81Confident51 Ų5154.3 Ų54.353%0.52631%0.311SS..SBendtrans89.2-8177.600000116.2A315G313-A315 VanDerWaalsContact C-N 3.33Å; G313-A315 PolarHBondContact O-N 3.34Å
314E71.1Confident80.4Confident147 Ų14754 Ų5469%0.68731%0.31SS*.THydrogen-bonded Turntrans-66.1-30.8-178.7-70.2-173.2172.200113.9H244H244-E314 IonicContact CE1-OE2 2.69Å; H244-E314 PolarHBondContact CE1-OE2 3.32Å; H244-E314 VanDerWaalsContact CE1-OE2 3.22Å; H244-E314 IonicContact CG-OE2 3.36Å; H244-E314 IonicContact ND1-OE2 3.09Å; H244-E314 PolarHBondContact ND1-OE2 2.87Å
315A71.7Confident80.1Confident26 Ų2654 Ų5422%0.21531%0.309CS..THydrogen-bonded Turntrans-143.646.6-175.900000111.4R243 C310 G313 V317R243-A315 HydrophobicContact CB-CB 4.42Å; R243-A315 WeakPolarHBondContact O-CB 3.45Å; C310-A315 HydrophobicContact CB-CB 4.34Å; C310-A315 WeakPolarHBondContact CB-O 3.35Å; C310-A315 PolarHBondContact SG-N 3.35Å; G313-A315 VanDerWaalsContact C-N 3.33Å; G313-A315 PolarHBondContact O-N 3.34Å; A315-V317 PolarHBondContact O-N 3.37Å
316R66.8Low79.8Confident167 Ų16757.9 Ų57.963%0.6332%0.323SS*.  trans-87.685-175.8-168.4-177.7-176.8-171.30.2111.8T318R316-T318 HydrophobicContact CG-CG2 4.32Å
317V67.6Low79.1Confident53 Ų5355.3 Ų55.332%0.32131%0.311SS..  trans-90.2121.2158.6-177.20000107.6D195 A315D195-V317 HydrophobicContact CB-CB 4.09Å; D195-V317 HydrophobicContact CB-CG1 4.04Å; A315-V317 PolarHBondContact O-N 3.37Å
318T66.8Low78.5Confident70 Ų7056.3 Ų56.343%0.42931%0.314SS..  trans-143.4131.1174.3-178.20000109.5Q309 R316Q309-T318 PolarHBondContact NE2-OG1 3.3Å; R316-T318 HydrophobicContact CG-CG2 4.32Å
319F72.6Confident78.4Confident19 Ų1954.8 Ų54.88%0.08330%0.302CS..  trans-129.3160.8170.657.2-104.1000109.2I172 V175 M196 L198 W300 M321 F324I172-F319 HydrophobicContact CD1-CB 3.46Å; I172-F319 VanDerWaalsContact CD1-CB 3.46Å; I172-F319 HydrophobicContact CD1-CD1 3.71Å; I172-F319 HydrophobicContact CD1-CD2 4.4Å; I172-F319 HydrophobicContact CD1-CG 3.61Å; I172-F319 HydrophobicContact CG1-CB 4.33Å; I172-F319 HydrophobicContact CG2-CD1 4.38Å; V175-F319 HydrophobicContact CG1-CE1 4Å; V175-F319 HydrophobicContact CG2-CE1 4.41Å; M196-F319 HydrophobicContact CB-CE1 3.84Å; M196-F319 HydrophobicContact CB-CE2 4.32Å; M196-F319 HydrophobicContact CB-CZ 3.56Å; M196-F319 HydrophobicContact CG-CD1 3.97Å; M196-F319 HydrophobicContact CG-CE1 3.44Å; M196-F319 VanDerWaalsContact CG-CE1 3.44Å; M196-F319 HydrophobicContact CG-CE2 4.07Å; M196-F319 HydrophobicContact CG-CZ 3.51Å; L198-F319 HydrophobicContact CD1-CE1 4.06Å; L198-F319 HydrophobicContact CD1-CZ 3.96Å; W300-F319 AromaticContact CH2-CE2 3.88Å; W300-F319 HydrophobicContact CH2-CE2 3.88Å; W300-F319 HydrophobicContact CH2-CZ 4.09Å; W300-F319 HydrophobicContact CZ2-CE2 4.1Å; W300-F319 AromaticContact CZ2-CZ 3.93Å; W300-F319 HydrophobicContact CZ2-CZ 3.93Å; F319-M321 HydrophobicContact CE2-SD 4.06Å; F319-M321 PolarHBondContact O-N 3Å; F319-F324 HydrophobicContact CD2-CD2 4.5Å; F319-F324 AromaticContact CD2-CE2 3.57Å; F319-F324 HydrophobicContact CD2-CE2 3.57Å; F319-F324 HydrophobicContact CD2-CZ 4.19Å; F319-F324 HydrophobicContact CE2-CD2 4.28Å; F319-F324 AromaticContact CE2-CE2 3.33Å; F319-F324 HydrophobicContact CE2-CE2 3.33Å; F319-F324 AromaticContact CE2-CZ 3.62Å; F319-F324 HydrophobicContact CE2-CZ 3.62Å; F319-F324 HydrophobicContact CZ-CE2 4.4Å; F319-F324 HydrophobicContact CZ-CZ 4.3Å
320S77.4Confident78.3Confident80 Ų8053.6 Ų53.656%0.55930%0.301SS*.  trans-77.7117.2-173.9-166.70000111.3D322S320-D322 PolarHBondContact O-N 3.29Å; S320-D322 VanDerWaalsContact O-N 3.1Å; S320-D322 WeakPolarHBondContact OG-CB 3.28Å; S320-D322 PolarHBondContact OG-N 3.12Å
321M82.9Confident78.3Confident14 Ų1459.3 Ų59.37%0.06933%0.327CS..Hα-helixtrans-61.9-11.7167.9-69.8-57-61.100112.7M196 W300 I301 F319 A323 F324 V325 W336M196-M321 HydrophobicContact CE-CG 3.96Å; M196-M321 HydrophobicContact CE-SD 4.07Å; W300-M321 HydrophobicContact CH2-CE 3.56Å; W300-M321 HydrophobicContact CH2-SD 3.5Å; W300-M321 WeakPolarHBondContact CH2-SD 3.3Å; W300-M321 HydrophobicContact CZ2-CE 4.03Å; W300-M321 HydrophobicContact CZ2-SD 3.76Å; W300-M321 HydrophobicContact CZ3-CE 3.97Å; W300-M321 HydrophobicContact CZ3-SD 4.45Å; I301-M321 HydrophobicContact CG2-CE 4.47Å; F319-M321 HydrophobicContact CE2-SD 4.06Å; F319-M321 PolarHBondContact O-N 3Å; M321-A323 PolarHBondContact O-N 3.36Å; M321-F324 HydrophobicContact CE-CB 4.2Å; M321-F324 WeakPolarHBondContact O-CB 3.32Å; M321-F324 PolarHBondContact O-N 3.26Å; M321-F324 VanDerWaalsContact O-N 3.16Å; M321-F324 HydrophobicContact SD-CD2 4.36Å; M321-V325 HydrophobicContact CB-CG2 4.46Å; M321-V325 WeakPolarHBondContact O-CG2 3.48Å; M321-V325 PolarHBondContact O-N 2.66Å; M321-W336 HydrophobicContact CB-CH2 4.08Å; M321-W336 HydrophobicContact CB-CZ2 3.85Å
322D83.1Confident78.4Confident36 Ų3656.9 Ų56.919%0.19330%0.303CS..Hα-helixtrans-56.4-49-173.5-160.427.7000113.7S320 F324 R326 Y333 W336 K337S320-D322 PolarHBondContact O-N 3.29Å; S320-D322 VanDerWaalsContact O-N 3.1Å; S320-D322 WeakPolarHBondContact OG-CB 3.28Å; S320-D322 PolarHBondContact OG-N 3.12Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 2.94Å; D322-R326 WeakPolarHBondContact O-CB 3.44Å; D322-R326 PolarHBondContact O-N 3.26Å; D322-Y333 WeakPolarHBondContact OD1-CE2 3.48Å; D322-Y333 PolarHBondContact OD1-OH 3.32Å; D322-W336 HydrophobicContact CB-CH2 4.35Å; D322-W336 HydrophobicContact CB-CZ3 4.4Å; D322-K337 WeakPolarHBondContact OD1-CE 3.41Å; D322-K337 IonicContact OD1-NZ 3.19Å; D322-K337 PolarHBondContact OD1-NZ 2.78Å; D322-K337 IonicContact OD2-NZ 3.11Å; D322-K337 PolarHBondContact OD2-NZ 3.05Å
323A78.2Confident78.4Confident16 Ų1655.8 Ų55.813%0.13229%0.291CS..Hα-helixtrans-61.6-43.8177.700000111.6L164 M321 R326 I327L164-A323 HydrophobicContact CD2-CB 4.15Å; M321-A323 PolarHBondContact O-N 3.36Å; A323-R326 PolarHBondContact O-N 3.16Å; A323-I327 WeakPolarHBondContact O-CB 3.25Å; A323-I327 WeakPolarHBondContact O-CD1 3.4Å; A323-I327 WeakPolarHBondContact O-CG1 3.43Å; A323-I327 PolarHBondContact O-N 3.49Å
324F79.3Confident79Confident5 Ų558.4 Ų58.42%0.02229%0.289CS..Hα-helixtrans-62.3-50.8179.9-67-89.6000112.5I160 L164 W300 I301 F319 M321 D322 R326 I327 L328I160-F324 HydrophobicContact CG2-CD1 4.09Å; I160-F324 HydrophobicContact CG2-CE1 4.05Å; L164-F324 HydrophobicContact CD1-CD1 4.24Å; L164-F324 HydrophobicContact CD1-CE1 3.34Å; L164-F324 HydrophobicContact CD1-CE2 3.71Å; L164-F324 HydrophobicContact CD1-CZ 3.05Å; L164-F324 HydrophobicContact CD2-CD1 4Å; L164-F324 HydrophobicContact CD2-CD2 4.1Å; L164-F324 HydrophobicContact CD2-CE1 3.95Å; L164-F324 HydrophobicContact CD2-CE2 3.96Å; L164-F324 HydrophobicContact CD2-CG 4.17Å; L164-F324 HydrophobicContact CD2-CZ 3.97Å; L164-F324 HydrophobicContact CG-CE1 4.06Å; L164-F324 HydrophobicContact CG-CE2 4.48Å; L164-F324 HydrophobicContact CG-CZ 4.07Å; W300-F324 HydrophobicContact CE3-CE1 4.41Å; W300-F324 AromaticContact CH2-CD1 3.9Å; W300-F324 HydrophobicContact CH2-CD1 3.9Å; W300-F324 HydrophobicContact CH2-CD2 4.26Å; W300-F324 AromaticContact CH2-CE1 3.58Å; W300-F324 HydrophobicContact CH2-CE1 3.58Å; W300-F324 HydrophobicContact CH2-CE2 4.03Å; W300-F324 HydrophobicContact CH2-CG 4.14Å; W300-F324 AromaticContact CH2-CZ 3.61Å; W300-F324 HydrophobicContact CH2-CZ 3.61Å; W300-F324 AromaticContact CZ3-CD1 3.39Å; W300-F324 HydrophobicContact CZ3-CD1 3.39Å; W300-F324 AromaticContact CZ3-CE1 3.29Å; W300-F324 HydrophobicContact CZ3-CE1 3.29Å; W300-F324 HydrophobicContact CZ3-CE2 4.49Å; W300-F324 AromaticContact CZ3-CG 3.94Å; W300-F324 HydrophobicContact CZ3-CG 3.94Å; W300-F324 AromaticContact CZ3-CZ 3.86Å; W300-F324 HydrophobicContact CZ3-CZ 3.86Å; I301-F324 HydrophobicContact CD1-CB 3.87Å; I301-F324 HydrophobicContact CD1-CD1 4.04Å; I301-F324 HydrophobicContact CD1-CG 4.41Å; F319-F324 HydrophobicContact CD2-CD2 4.5Å; F319-F324 AromaticContact CD2-CE2 3.57Å; F319-F324 HydrophobicContact CD2-CE2 3.57Å; F319-F324 HydrophobicContact CD2-CZ 4.19Å; F319-F324 HydrophobicContact CE2-CD2 4.28Å; F319-F324 AromaticContact CE2-CE2 3.33Å; F319-F324 HydrophobicContact CE2-CE2 3.33Å; F319-F324 AromaticContact CE2-CZ 3.62Å; F319-F324 HydrophobicContact CE2-CZ 3.62Å; F319-F324 HydrophobicContact CZ-CE2 4.4Å; F319-F324 HydrophobicContact CZ-CZ 4.3Å; M321-F324 HydrophobicContact CE-CB 4.2Å; M321-F324 WeakPolarHBondContact O-CB 3.32Å; M321-F324 PolarHBondContact O-N 3.26Å; M321-F324 VanDerWaalsContact O-N 3.16Å; M321-F324 HydrophobicContact SD-CD2 4.36Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 2.94Å; F324-R326 VanDerWaalsContact C-N 3.34Å; F324-R326 PolarHBondContact O-N 2.89Å; F324-I327 PolarHBondContact O-N 3.43Å; F324-L328 HydrophobicContact CD1-CD1 4.41Å; F324-L328 VanDerWaalsContact O-CB 3.28Å; F324-L328 WeakPolarHBondContact O-CB 3.45Å; F324-L328 PolarHBondContact O-N 2.7Å
325V83.3Confident79.9Confident0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-65.6-40.7180-174.70000110.1I301 K305 M321 I327 Q329 Y333 W336I301-V325 HydrophobicContact CG2-CG2 4.21Å; K305-V325 HydrophobicContact CD-CG2 4.4Å; K305-V325 HydrophobicContact CG-CG2 4.23Å; M321-V325 HydrophobicContact CB-CG2 4.46Å; M321-V325 WeakPolarHBondContact O-CG2 3.48Å; M321-V325 PolarHBondContact O-N 2.66Å; V325-I327 PolarHBondContact O-N 3.23Å; V325-Q329 HydrophobicContact CG1-CB 4.3Å; V325-Q329 CarbonylContact O-C 3.6Å; V325-Q329 WeakPolarHBondContact O-CA 3.24Å; V325-Q329 PolarHBondContact O-N 2.8Å; V325-Y333 HydrophobicContact CB-CD2 4.29Å; V325-Y333 HydrophobicContact CG1-CD2 4.18Å; V325-W336 HydrophobicContact CB-CD2 4.23Å; V325-W336 HydrophobicContact CB-CE3 3.91Å; V325-W336 HydrophobicContact CB-CZ3 4.2Å; V325-W336 HydrophobicContact CG1-CB 4.17Å; V325-W336 HydrophobicContact CG1-CD2 4.02Å; V325-W336 HydrophobicContact CG1-CE3 3.89Å; V325-W336 HydrophobicContact CG1-CG 4.14Å; V325-W336 HydrophobicContact CG2-CD2 3.95Å; V325-W336 HydrophobicContact CG2-CE3 4.06Å; V325-W336 HydrophobicContact CG2-CG 4.49Å; V325-W336 HydrophobicContact CG2-CH2 4.38Å; V325-W336 HydrophobicContact CG2-CZ2 4.3Å; V325-W336 HydrophobicContact CG2-CZ3 4.27Å
326R81.6Confident80.7Confident125 Ų12556.6 Ų56.647%0.47228%0.275SS..Hα-helixtrans-62.5-39.8178-167.9174.664.2-170.8-0.2113.4D322 A323 F324 Y333D322-R326 WeakPolarHBondContact O-CB 3.44Å; D322-R326 PolarHBondContact O-N 3.26Å; A323-R326 PolarHBondContact O-N 3.16Å; F324-R326 VanDerWaalsContact C-N 3.34Å; F324-R326 PolarHBondContact O-N 2.89Å; R326-Y333 VanDerWaalsContact CA-CD2 3.48Å; R326-Y333 HydrophobicContact CB-CD2 3.64Å; R326-Y333 HydrophobicContact CB-CE2 3.52Å; R326-Y333 HydrophobicContact CB-CG 4.35Å; R326-Y333 HydrophobicContact CG-CD2 4.18Å; R326-Y333 HydrophobicContact CG-CE1 4.46Å; R326-Y333 HydrophobicContact CG-CE2 3.95Å; R326-Y333 HydrophobicContact CG-CG 4.49Å
327I74.9Confident81.7Confident58 Ų5853.6 Ų53.630%0.29727%0.267SS..Hα-helixtrans-84.3-41.6-175.5-66.5167.1000111.3L163 A323 F324 V325L163-I327 HydrophobicContact CD2-CD1 4.1Å; L163-I327 HydrophobicContact CD2-CG2 4.19Å; A323-I327 WeakPolarHBondContact O-CB 3.25Å; A323-I327 WeakPolarHBondContact O-CD1 3.4Å; A323-I327 WeakPolarHBondContact O-CG1 3.43Å; A323-I327 PolarHBondContact O-N 3.49Å; F324-I327 PolarHBondContact O-N 3.43Å; V325-I327 PolarHBondContact O-N 3.23Å
328L76.9Confident82.8Confident34 Ų3457.4 Ų57.418%0.17828%0.276CS..Hα-helixtrans-106.6-14.9-166.7-58.8166.2000114.1I160 I301 F324I160-L328 HydrophobicContact CD1-CD1 3.87Å; I160-L328 HydrophobicContact CD1-CD2 4.39Å; I160-L328 HydrophobicContact CG1-CD1 4.45Å; I160-L328 HydrophobicContact CG2-CD1 3.78Å; I301-L328 HydrophobicContact CD1-CB 4.27Å; I301-L328 HydrophobicContact CD1-CD1 3.42Å; I301-L328 VanDerWaalsContact CD1-CD1 3.42Å; I301-L328 HydrophobicContact CD1-CG 4.47Å; I301-L328 HydrophobicContact CG1-CB 4.35Å; I301-L328 HydrophobicContact CG1-CD1 4.16Å; F324-L328 HydrophobicContact CD1-CD1 4.41Å; F324-L328 VanDerWaalsContact O-CB 3.28Å; F324-L328 WeakPolarHBondContact O-CB 3.45Å; F324-L328 PolarHBondContact O-N 2.7Å
329Q84.6Confident83.7Confident10 Ų1057.3 Ų57.35%0.04729%0.289CS..  trans-140.551.8175.4-63.1-175.6-14.200111.3I301 D302 V325 E331 R332 Y333I301-Q329 HydrophobicContact CG2-CG 4.12Å; D302-Q329 PolarHBondContact OD1-NE2 2.78Å; D302-Q329 PolarHBondContact OD2-NE2 2.93Å; D302-Q329 VanDerWaalsContact OD2-NE2 3.16Å; V325-Q329 HydrophobicContact CG1-CB 4.3Å; V325-Q329 CarbonylContact O-C 3.6Å; V325-Q329 WeakPolarHBondContact O-CA 3.24Å; V325-Q329 PolarHBondContact O-N 2.8Å; Q329-E331 VanDerWaalsContact C-OE2 3.24Å; Q329-E331 WeakPolarHBondContact CA-OE1 3.33Å; Q329-E331 WeakPolarHBondContact CA-OE2 3.33Å; Q329-E331 PolarHBondContact O-N 2.81Å; Q329-E331 VanDerWaalsContact O-N 3.16Å; Q329-R332 HydrophobicContact CB-CB 4.4Å; Q329-R332 PolarHBondContact O-N 3.3Å; Q329-Y333 PolarHBondContact O-N 2.69Å
330P85.4Confident84.4Confident51 Ų5161.7 Ų61.733%0.33131%0.309SS..Hα-helixtrans-57.8-30.4-174.124.9-35.4000113.4R332 Y333P330-R332 VanDerWaalsContact C-N 3.32Å; P330-R332 PolarHBondContact O-N 3.02Å; P330-Y333 WeakPolarHBondContact O-CB 3.2Å; P330-Y333 PolarHBondContact O-N 2.9Å
331E89.1Confident84.8Confident126 Ų12659.6 Ų59.659%0.58929%0.292SS*.Hα-helixtrans-68.2-27.3176.673.6-55.1135.900113.5Q329Q329-E331 VanDerWaalsContact C-OE2 3.24Å; Q329-E331 WeakPolarHBondContact CA-OE1 3.33Å; Q329-E331 WeakPolarHBondContact CA-OE2 3.33Å; Q329-E331 PolarHBondContact O-N 2.81Å; Q329-E331 VanDerWaalsContact O-N 3.16Å
332R88.1Confident84.5Confident48 Ų4869.9 Ų69.918%0.18133%0.33CS..Hα-helixtrans-98.4-12.8175.9-71.9169.862.7-153.7-6113.4D302 K305 Q329 P330 E334 L335 W336 D341D302-R332 IonicContact OD1-CZ 2.68Å; D302-R332 IonicContact OD1-NH1 3.5Å; D302-R332 PolarHBondContact OD1-NH1 2.97Å; D302-R332 IonicContact OD1-NH2 3.53Å; D302-R332 PolarHBondContact OD1-NH2 3.28Å; D302-R332 IonicContact OD2-NH1 2.88Å; D302-R332 PolarHBondContact OD2-NH1 2.86Å; K305-R332 VanDerWaalsContact NZ-NH2 3.12Å; Q329-R332 HydrophobicContact CB-CB 4.4Å; Q329-R332 PolarHBondContact O-N 3.3Å; P330-R332 VanDerWaalsContact C-N 3.32Å; P330-R332 PolarHBondContact O-N 3.02Å; R332-E334 PolarHBondContact O-N 3.02Å; R332-L335 PolarHBondContact O-N 2.96Å; R332-L335 VanDerWaalsContact O-N 3.14Å; R332-W336 WeakPolarHBondContact O-CB 3.1Å; R332-W336 PolarHBondContact O-N 3.15Å; R332-D341 IonicContact CZ-OD1 3.44Å; R332-D341 IonicContact CZ-OD2 2.81Å; R332-D341 IonicContact NE-OD1 3.56Å; R332-D341 PolarHBondContact NE-OD1 2.85Å; R332-D341 VanDerWaalsContact NE-OD1 3.11Å; R332-D341 IonicContact NE-OD2 2.72Å; R332-D341 PolarHBondContact NE-OD2 2.83Å; R332-D341 IonicContact NH2-OD1 3.04Å; R332-D341 PolarHBondContact NH2-OD1 3.08Å; R332-D341 IonicContact NH2-OD2 3.63Å; R332-D341 PolarHBondContact NH2-OD2 2.83Å
333Y87.9Confident84.2Confident36 Ų3670 Ų7014%0.14134%0.336CS..Hα-helixtrans-51.5-50.1-175.2176.7-103.5000113.9D322 V325 R326 Q329 P330 L335 W336 K337D322-Y333 WeakPolarHBondContact OD1-CE2 3.48Å; D322-Y333 PolarHBondContact OD1-OH 3.32Å; V325-Y333 HydrophobicContact CB-CD2 4.29Å; V325-Y333 HydrophobicContact CG1-CD2 4.18Å; R326-Y333 VanDerWaalsContact CA-CD2 3.48Å; R326-Y333 HydrophobicContact CB-CD2 3.64Å; R326-Y333 HydrophobicContact CB-CE2 3.52Å; R326-Y333 HydrophobicContact CB-CG 4.35Å; R326-Y333 HydrophobicContact CG-CD2 4.18Å; R326-Y333 HydrophobicContact CG-CE1 4.46Å; R326-Y333 HydrophobicContact CG-CE2 3.95Å; R326-Y333 HydrophobicContact CG-CG 4.49Å; Q329-Y333 PolarHBondContact O-N 2.69Å; P330-Y333 WeakPolarHBondContact O-CB 3.2Å; P330-Y333 PolarHBondContact O-N 2.9Å; Y333-L335 PolarHBondContact O-N 3.15Å; Y333-W336 HydrophobicContact CD2-CE3 4.36Å; Y333-W336 HydrophobicContact CE2-CZ3 4.45Å; Y333-W336 PolarHBondContact O-N 3.23Å; Y333-K337 HydrophobicContact CD1-CG 4.48Å; Y333-K337 HydrophobicContact CE1-CG 4.1Å; Y333-K337 HydrophobicContact CE2-CG 4.15Å; Y333-K337 VanDerWaalsContact CZ-CE 3.46Å; Y333-K337 WeakPolarHBondContact O-CB 3.37Å; Y333-K337 WeakPolarHBondContact O-CG 3.34Å; Y333-K337 PolarHBondContact O-N 2.87Å; Y333-K337 WeakPolarHBondContact OH-CE 3.37Å
334E90.3Very high84.1Confident105 Ų10575.7 Ų75.749%0.49137%0.368SS..Hα-helixtrans-66.5-35.7-179.3-75.6-57.6136.400113.1R332 R338R332-E334 PolarHBondContact O-N 3.02Å; E334-R338 WeakPolarHBondContact O-CG 3.44Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 PolarHBondContact O-NH1 3.36Å; E334-R338 VanDerWaalsContact O-NH1 3.15Å; E334-R338 IonicContact OE2-NH1 3.43Å; E334-R338 PolarHBondContact OE2-NH1 2.88Å
335L89.7Confident84.3Confident74 Ų7476.4 Ų76.439%0.38737%0.373SS..Hα-helixtrans-70.5-39.6174.7-70.6164.7000111.2R332 Y333 R338 G339 Q340 D341R332-L335 PolarHBondContact O-N 2.96Å; R332-L335 VanDerWaalsContact O-N 3.14Å; Y333-L335 PolarHBondContact O-N 3.15Å; L335-R338 PolarHBondContact O-N 2.74Å; L335-G339 PolarHBondContact O-N 3Å; L335-Q340 HydrophobicContact CD2-CB 4.23Å; L335-Q340 PolarHBondContact O-N 2.95Å; L335-D341 PolarHBondContact O-N 2.68Å
336W88.8Confident84.3Confident61 Ų6179.3 Ų79.323%0.23139%0.389CS..Hα-helixtrans-66.2-44.2176.6174.474.1000111.9K305 M321 D322 V325 R332 Y333 R338 G339 D341K305-W336 HydrophobicContact CD-CG 4.45Å; M321-W336 HydrophobicContact CB-CH2 4.08Å; M321-W336 HydrophobicContact CB-CZ2 3.85Å; D322-W336 HydrophobicContact CB-CH2 4.35Å; D322-W336 HydrophobicContact CB-CZ3 4.4Å; V325-W336 HydrophobicContact CB-CD2 4.23Å; V325-W336 HydrophobicContact CB-CE3 3.91Å; V325-W336 HydrophobicContact CB-CZ3 4.2Å; V325-W336 HydrophobicContact CG1-CB 4.17Å; V325-W336 HydrophobicContact CG1-CD2 4.02Å; V325-W336 HydrophobicContact CG1-CE3 3.89Å; V325-W336 HydrophobicContact CG1-CG 4.14Å; V325-W336 HydrophobicContact CG2-CD2 3.95Å; V325-W336 HydrophobicContact CG2-CE3 4.06Å; V325-W336 HydrophobicContact CG2-CG 4.49Å; V325-W336 HydrophobicContact CG2-CH2 4.38Å; V325-W336 HydrophobicContact CG2-CZ2 4.3Å; V325-W336 HydrophobicContact CG2-CZ3 4.27Å; R332-W336 WeakPolarHBondContact O-CB 3.1Å; R332-W336 PolarHBondContact O-N 3.15Å; Y333-W336 HydrophobicContact CD2-CE3 4.36Å; Y333-W336 HydrophobicContact CE2-CZ3 4.45Å; Y333-W336 PolarHBondContact O-N 3.23Å; W336-R338 PolarHBondContact O-N 3.06Å; W336-G339 PolarHBondContact O-N 3.49Å; W336-D341 HydrophobicContact CB-CB 3.87Å
337K87.7Confident84.5Confident104 Ų10475.2 Ų75.245%0.45238%0.375SS..Hα-helixtrans-56.2-33.3172.7-82.2-66.6-160.4-172.90113.3D322 Y333 G339D322-K337 WeakPolarHBondContact OD1-CE 3.41Å; D322-K337 IonicContact OD1-NZ 3.19Å; D322-K337 PolarHBondContact OD1-NZ 2.78Å; D322-K337 IonicContact OD2-NZ 3.11Å; D322-K337 PolarHBondContact OD2-NZ 3.05Å; Y333-K337 HydrophobicContact CD1-CG 4.48Å; Y333-K337 HydrophobicContact CE1-CG 4.1Å; Y333-K337 HydrophobicContact CE2-CG 4.15Å; Y333-K337 VanDerWaalsContact CZ-CE 3.46Å; Y333-K337 WeakPolarHBondContact O-CB 3.37Å; Y333-K337 WeakPolarHBondContact O-CG 3.34Å; Y333-K337 PolarHBondContact O-N 2.87Å; Y333-K337 WeakPolarHBondContact OH-CE 3.37Å; K337-G339 VanDerWaalsContact C-N 3.34Å
338R89.6Confident84.7Confident133 Ų13375.4 Ų75.450%0.50238%0.375SS..THydrogen-bonded Turntrans-84.40.1175-70.1-171.6-65.3-85.43.1114.5E334 L335 W336 Q340E334-R338 WeakPolarHBondContact O-CG 3.44Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 PolarHBondContact O-NH1 3.36Å; E334-R338 VanDerWaalsContact O-NH1 3.15Å; E334-R338 IonicContact OE2-NH1 3.43Å; E334-R338 PolarHBondContact OE2-NH1 2.88Å; L335-R338 PolarHBondContact O-N 2.74Å; W336-R338 PolarHBondContact O-N 3.06Å; R338-Q340 HydrophobicContact CB-CG 4Å; R338-Q340 PolarHBondContact O-N 2.78Å
339G86.2Confident84.6Confident68 Ų6878.7 Ų78.770%0.70139%0.39SS*.THydrogen-bonded Turntrans68.119.5-174.900000114.2L335 W336 K337L335-G339 PolarHBondContact O-N 3Å; W336-G339 PolarHBondContact O-N 3.49Å; K337-G339 VanDerWaalsContact C-N 3.34Å
340Q87.1Confident83.7Confident111 Ų11180.4 Ų80.452%0.51940%0.402SS..  trans-98.4-9.1-176.1-67.1174.9-30.800113.2L335 R338 R342L335-Q340 HydrophobicContact CD2-CB 4.23Å; L335-Q340 PolarHBondContact O-N 2.95Å; R338-Q340 HydrophobicContact CB-CG 4Å; R338-Q340 PolarHBondContact O-N 2.78Å; Q340-R342 PolarHBondContact O-N 2.74Å
341D85.2Confident82.6Confident36 Ų3682.3 Ų82.319%0.19341%0.405CS..  trans-75.490.5177.8-176.418.2000111.3K305 R332 L335 W336 A343K305-D341 IonicContact NZ-OD2 3.67Å; K305-D341 PolarHBondContact NZ-OD2 2.86Å; R332-D341 IonicContact CZ-OD1 3.44Å; R332-D341 IonicContact CZ-OD2 2.81Å; R332-D341 IonicContact NE-OD1 3.56Å; R332-D341 PolarHBondContact NE-OD1 2.85Å; R332-D341 VanDerWaalsContact NE-OD1 3.11Å; R332-D341 IonicContact NE-OD2 2.72Å; R332-D341 PolarHBondContact NE-OD2 2.83Å; R332-D341 IonicContact NH2-OD1 3.04Å; R332-D341 PolarHBondContact NH2-OD1 3.08Å; R332-D341 IonicContact NH2-OD2 3.63Å; R332-D341 PolarHBondContact NH2-OD2 2.83Å; L335-D341 PolarHBondContact O-N 2.68Å; W336-D341 HydrophobicContact CB-CB 3.87Å; D341-A343 VanDerWaalsContact C-N 3.32Å; D341-A343 PolarHBondContact O-N 2.87Å
342R77.6Confident80.6Confident231 Ų23180.1 Ų80.187%0.87240%0.4SS*.  trans-90.726.8-176.6-63.6-176.3176.8-177.4-0.6114.1Q340 V344Q340-R342 PolarHBondContact O-N 2.74Å; R342-V344 PolarHBondContact O-N 2.84Å
343A75.9Confident78.5Confident38 Ų3879.3 Ų79.331%0.31440%0.401SS..PPolyproline II helixtrans-63.1122.8-18000000111.3D341D341-A343 VanDerWaalsContact C-N 3.32Å; D341-A343 PolarHBondContact O-N 2.87Å
344V76.9Confident76.1Confident135 Ų13579.8 Ų79.882%0.81841%0.413SS*.PPolyproline II helixtrans-84.1132.8170.4-177.60000107.9R342 D346R342-V344 PolarHBondContact O-N 2.84Å; V344-D346 PolarHBondContact O-N 3.11Å
345V83.3Confident73.8Confident20 Ų2080.3 Ų80.312%0.12143%0.428CS..PPolyproline II helixtrans-71.7119.2173.1156.80000108.8D302 Y303 M306D302-V345 HydrophobicContact CB-CG2 3.63Å; D302-V345 WeakPolarHBondContact O-CG2 3.38Å; Y303-V345 HydrophobicContact CD1-CG1 4.15Å; Y303-V345 HydrophobicContact CD2-CG1 4Å; Y303-V345 HydrophobicContact CD2-CG2 4.06Å; Y303-V345 HydrophobicContact CE1-CG1 3.69Å; Y303-V345 HydrophobicContact CE2-CG1 3.48Å; Y303-V345 VanDerWaalsContact CE2-CG1 3.48Å; Y303-V345 HydrophobicContact CE2-CG2 4.31Å; Y303-V345 HydrophobicContact CG-CG1 4.31Å; Y303-V345 HydrophobicContact CG-CG2 4.31Å; M306-V345 HydrophobicContact CE-CB 3.6Å; M306-V345 HydrophobicContact CE-CG2 3.31Å
346D84.4Confident71.3Confident62 Ų6284.2 Ų84.233%0.33244%0.444SS..PPolyproline II helixtrans-84.6116.5162.7-163.7-22.1000109.5R299 V344 M348 E349R299-D346 PolarHBondContact NH1-O 2.93Å; V344-D346 PolarHBondContact O-N 3.11Å; D346-M348 PolarHBondContact O-N 3.47Å; D346-M348 WeakPolarHBondContact OD1-CA 3.3Å; D346-M348 WeakPolarHBondContact OD1-CB 3.39Å; D346-M348 VanDerWaalsContact OD1-CG 3.25Å; D346-M348 WeakPolarHBondContact OD1-CG 3.3Å; D346-M348 PolarHBondContact OD1-N 3.36Å; D346-E349 HydrophobicContact CB-CB 4.4Å; D346-E349 HydrophobicContact CB-CG 4.29Å
347H85.1Confident69Low38 Ų3886.1 Ų86.118%0.17646%0.456CS..SBendtrans-69.4-22.5176.1-62.3-51.3000112.5H44 P217 E218 Y277 R299 Y303H44-H347 PolarHBondContact CD2-O 2.84Å; H44-H347 VanDerWaalsContact CD2-O 3.23Å; H44-H347 PolarHBondContact NE2-O 2.83Å; P217-H347 HydrophobicContact CB-CB 4.37Å; E218-H347 HydrophobicContact CB-CB 4.04Å; Y277-H347 AromaticContact CD1-CE1 3.81Å; R299-H347 PolarHBondContact NH2-O 3.1Å; R299-H347 VanDerWaalsContact NH2-O 3.11Å; Y303-H347 AromaticContact CE1-CE1 3.77Å; Y303-H347 AromaticContact CE1-ND1 3.55Å; Y303-H347 AromaticContact CZ-ND1 3.6Å; Y303-H347 PolarHBondContact OH-ND1 2.84Å
348M79.7Confident66.7Low62 Ų6283.2 Ų83.231%0.30545%0.445SS..SBendtrans-82.9-39.5-173.3-53.7-74.1-72.800112.8H44 R45 D346 P350H44-M348 WeakPolarHBondContact NE2-CA 3.31Å; H44-M348 PolarHBondContact NE2-O 3.32Å; R45-M348 PolarHBondContact NE-SD 3.28Å; R45-M348 VanDerWaalsContact NH2-CE 3.32Å; R45-M348 PolarHBondContact NH2-SD 2.75Å; D346-M348 PolarHBondContact O-N 3.47Å; D346-M348 WeakPolarHBondContact OD1-CA 3.3Å; D346-M348 WeakPolarHBondContact OD1-CB 3.39Å; D346-M348 VanDerWaalsContact OD1-CG 3.25Å; D346-M348 WeakPolarHBondContact OD1-CG 3.3Å; D346-M348 PolarHBondContact OD1-N 3.36Å; M348-P350 WeakPolarHBondContact O-CD 3.3Å
349E73.1Confident64.1Low103 Ų10379.6 Ų79.648%0.48144%0.44SS..  trans-73.3118.7-172-74.2-164.215100112.7H44 R299 D346 K351H44-E349 PolarHBondContact NE2-N 2.97Å; R299-E349 PolarHBondContact NH1-O 2.85Å; D346-E349 HydrophobicContact CB-CB 4.4Å; D346-E349 HydrophobicContact CB-CG 4.29Å; E349-K351 PolarHBondContact O-N 2.73Å
350P66.6Low61.6Low47 Ų4779.4 Ų79.431%0.30543%0.425SS..  trans-69.3120.6165.929.7-31.4000108.7E39 H44 M348 V352E39-P350 HydrophobicContact CB-CB 4.25Å; E39-P350 WeakPolarHBondContact O-CB 3.42Å; H44-P350 WeakPolarHBondContact CE1-CB 3.28Å; H44-P350 VanDerWaalsContact CE1-CD 3.48Å; H44-P350 WeakPolarHBondContact CE1-CD 3.36Å; M348-P350 WeakPolarHBondContact O-CD 3.3Å; P350-V352 HydrophobicContact CB-CG2 4.03Å; P350-V352 HydrophobicContact CG-CG2 4.3Å; P350-V352 PolarHBondContact O-N 3.37Å
351K61.8Low59.4Low90 Ų9078 Ų7839%0.39142%0.419SS..  trans-81.569172-113.5179.8-179.4-174.90108.5R299 D302 E349 P353R299-K351 HydrophobicContact CB-CB 3.72Å; R299-K351 HydrophobicContact CB-CD 4.22Å; R299-K351 HydrophobicContact CG-CB 4.03Å; R299-K351 HydrophobicContact CG-CD 4.47Å; D302-K351 IonicContact OD2-NZ 2.66Å; D302-K351 PolarHBondContact OD2-NZ 3.05Å; E349-K351 PolarHBondContact O-N 2.73Å; K351-P353 VanDerWaalsContact O-CD 3.23Å; K351-P353 WeakPolarHBondContact O-CD 3.36Å
352V48.4Very low57.3Low80 Ų8081.4 Ų81.449%0.48543%0.432SS..  trans-60.6114.9174.3-179.30000107.4P350 A354P350-V352 HydrophobicContact CB-CG2 4.03Å; P350-V352 HydrophobicContact CG-CG2 4.3Å; P350-V352 PolarHBondContact O-N 3.37Å; V352-A354 PolarHBondContact O-N 3.43Å
353P43.7Very low55.4Low31 Ų3176.4 Ų76.420%0.20142%0.418CS..  trans-63.8128.9161.3-4.321.1000105.6A36 K351 S355 L358A36-P353 HydrophobicContact CB-CG 4.47Å; K351-P353 VanDerWaalsContact O-CD 3.23Å; K351-P353 WeakPolarHBondContact O-CD 3.36Å; P353-S355 PolarHBondContact O-N 3.19Å; P353-L358 HydrophobicContact CB-CD1 3.93Å; P353-L358 HydrophobicContact CG-CD1 3.96Å
354A38Very low53.8Low47 Ų4778.3 Ų78.339%0.38843%0.426SS..  trans-55.6140.3170.100000107.7V352 Q356 E357V352-A354 PolarHBondContact O-N 3.43Å; A354-Q356 PolarHBondContact O-N 3.16Å; A354-E357 HydrophobicContact CB-CB 4.3Å; A354-E357 HydrophobicContact CB-CG 3.95Å; A354-E357 PolarHBondContact N-OE2 3.18Å; A354-E357 VanDerWaalsContact N-OE2 3.09Å; A354-E357 WeakPolarHBondContact O-CA 3.37Å; A354-E357 WeakPolarHBondContact O-CB 3.27Å; A354-E357 PolarHBondContact O-N 2.68Å
355S41Very low52.5Low116 Ų11675 Ų7581%0.81140%0.401SS*.THydrogen-bonded Turntrans-60.4-17.2-170.6-480000113.9P353P353-S355 PolarHBondContact O-N 3.19Å
356Q37.2Very low50.5Low155 Ų15579.6 Ų79.672%0.72443%0.425SS*.THydrogen-bonded Turntrans-85.2-25.7171.1-70.6174-40.400113.6A354 S359 T360A354-Q356 PolarHBondContact O-N 3.16Å; Q356-S359 PolarHBondContact O-OG 2.83Å; Q356-S359 VanDerWaalsContact O-OG 3.07Å; Q356-T360 WeakPolarHBondContact O-CB 3.49Å; Q356-T360 WeakPolarHBondContact O-CG2 3.37Å; Q356-T360 PolarHBondContact O-N 2.83Å; Q356-T360 PolarHBondContact O-OG1 2.92Å
357E41.1Very low48.3Very low102 Ų10281.1 Ų81.148%0.47744%0.438SS..Hα-helixtrans-73.6-31.4-178.7-77.2177.4152.900113.4A354 T360 Q361A354-E357 HydrophobicContact CB-CB 4.3Å; A354-E357 HydrophobicContact CB-CG 3.95Å; A354-E357 PolarHBondContact N-OE2 3.18Å; A354-E357 VanDerWaalsContact N-OE2 3.09Å; A354-E357 WeakPolarHBondContact O-CA 3.37Å; A354-E357 WeakPolarHBondContact O-CB 3.27Å; A354-E357 PolarHBondContact O-N 2.68Å; E357-T360 WeakPolarHBondContact CA-OG1 3.44Å; E357-Q361 WeakPolarHBondContact O-CA 3.36Å; E357-Q361 WeakPolarHBondContact O-CB 3.34Å; E357-Q361 WeakPolarHBondContact O-CG 3.27Å; E357-Q361 PolarHBondContact O-N 3.34Å
358L38.8Very low46.4Very low42 Ų4286.2 Ų86.222%0.2246%0.456CS..Hα-helixtrans-74.7-37.4177.9-145.685.4000111.9D32 P353 K362D32-L358 HydrophobicContact CB-CD2 3.97Å; P353-L358 HydrophobicContact CB-CD1 3.93Å; P353-L358 HydrophobicContact CG-CD1 3.96Å; L358-K362 PolarHBondContact O-N 3.35Å; L358-K362 VanDerWaalsContact O-N 3.14Å
359S35.3Very low44.5Very low58 Ų5889.4 Ų89.441%0.40646%0.464SS..Hα-helixtrans-70.3-46.4172.259.80000110.9Q356 Q361 K362 E363Q356-S359 PolarHBondContact O-OG 2.83Å; Q356-S359 VanDerWaalsContact O-OG 3.07Å; S359-Q361 VanDerWaalsContact C-N 3.32Å; S359-Q361 PolarHBondContact O-N 2.91Å; S359-K362 CarbonylContact O-C 3.58Å; S359-K362 PolarHBondContact O-N 2.92Å; S359-K362 VanDerWaalsContact O-N 3.13Å; S359-E363 WeakPolarHBondContact O-CG 3.42Å; S359-E363 PolarHBondContact O-N 3.43Å
360T33.7Very low42.8Very low63 Ų6388.7 Ų88.739%0.38748%0.476SS..Hα-helixtrans-68.8-24.4174.753.10000113.2Q356 E357 E363 V364Q356-T360 WeakPolarHBondContact O-CB 3.49Å; Q356-T360 WeakPolarHBondContact O-CG2 3.37Å; Q356-T360 PolarHBondContact O-N 2.83Å; Q356-T360 PolarHBondContact O-OG1 2.92Å; E357-T360 WeakPolarHBondContact CA-OG1 3.44Å; T360-E363 PolarHBondContact O-N 3.4Å; T360-V364 WeakPolarHBondContact O-CA 3.3Å; T360-V364 WeakPolarHBondContact O-CB 3.46Å; T360-V364 WeakPolarHBondContact O-CG2 3.45Å; T360-V364 PolarHBondContact O-N 3.23Å
361Q40.1Very low41.5Very low82 Ų8290.6 Ų90.638%0.38350%0.495SS..Hα-helixtrans-66.9-44167.8-84-179.2-500111E357 S359 E363 Q365E357-Q361 WeakPolarHBondContact O-CA 3.36Å; E357-Q361 WeakPolarHBondContact O-CB 3.34Å; E357-Q361 WeakPolarHBondContact O-CG 3.27Å; E357-Q361 PolarHBondContact O-N 3.34Å; S359-Q361 VanDerWaalsContact C-N 3.32Å; S359-Q361 PolarHBondContact O-N 2.91Å; Q361-E363 VanDerWaalsContact C-N 3.32Å; Q361-E363 PolarHBondContact O-N 3.44Å; Q361-Q365 WeakPolarHBondContact O-CB 3.46Å; Q361-Q365 WeakPolarHBondContact O-CG 3.37Å; Q361-Q365 PolarHBondContact O-N 3.27Å; Q361-Q365 VanDerWaalsContact O-N 3.11Å
362K41.4Very low40.8Very low108 Ų10892.4 Ų92.447%0.4751%0.509SS..Hα-helixtrans-65.4-31.6174.6-73.1174.9178.9171.80112.5D32 L358 S359D32-K362 IonicContact OD2-NZ 3.15Å; D32-K362 PolarHBondContact OD2-NZ 3.35Å; L358-K362 PolarHBondContact O-N 3.35Å; L358-K362 VanDerWaalsContact O-N 3.14Å; S359-K362 CarbonylContact O-C 3.58Å; S359-K362 PolarHBondContact O-N 2.92Å; S359-K362 VanDerWaalsContact O-N 3.13Å
363E37.8Very low40.1Very low126 Ų12691.6 Ų91.659%0.58952%0.516SS*.Hα-helixtrans-84.3-41.6177.1-69.4175.8133.500113.6S359 T360 Q361 Q365 L366 P367S359-E363 WeakPolarHBondContact O-CG 3.42Å; S359-E363 PolarHBondContact O-N 3.43Å; T360-E363 PolarHBondContact O-N 3.4Å; Q361-E363 VanDerWaalsContact C-N 3.32Å; Q361-E363 PolarHBondContact O-N 3.44Å; E363-Q365 PolarHBondContact O-N 3.32Å; E363-L366 PolarHBondContact O-N 2.84Å; E363-L366 VanDerWaalsContact O-N 3.1Å; E363-P367 WeakPolarHBondContact O-CD 3.41Å
364V43.2Very low40.1Very low78 Ų7895.2 Ų95.247%0.47353%0.533SS..Hα-helixtrans-67.4-22.1176171.80000111.6T360 L366 P367 R368T360-V364 WeakPolarHBondContact O-CA 3.3Å; T360-V364 WeakPolarHBondContact O-CB 3.46Å; T360-V364 WeakPolarHBondContact O-CG2 3.45Å; T360-V364 PolarHBondContact O-N 3.23Å; V364-L366 VanDerWaalsContact C-N 3.28Å; V364-L366 PolarHBondContact O-N 3.33Å; V364-P367 WeakPolarHBondContact O-CD 3.44Å; V364-R368 WeakPolarHBondContact O-CB 3.17Å; V364-R368 PolarHBondContact O-N 2.89Å; V364-R368 VanDerWaalsContact O-N 3.16Å
365Q49Very low40Very low64 Ų64104.3 Ų104.330%0.29956%0.558SS.*Hα-helixtrans-60-33.6169.1-84.2163.110.300113Q361 E363 R369Q361-Q365 WeakPolarHBondContact O-CB 3.46Å; Q361-Q365 WeakPolarHBondContact O-CG 3.37Å; Q361-Q365 PolarHBondContact O-N 3.27Å; Q361-Q365 VanDerWaalsContact O-N 3.11Å; E363-Q365 PolarHBondContact O-N 3.32Å; Q365-R369 VanDerWaalsContact O-CG 3.29Å; Q365-R369 WeakPolarHBondContact O-CG 3.31Å; Q365-R369 PolarHBondContact O-N 3.18Å; Q365-R369 VanDerWaalsContact O-N 3.07Å
366L41.7Very low39.5Very low118 Ų118107.8 Ų107.862%0.61856%0.561SS**Hα-helixtrans-67.9-46.3-178.6-90.2151.6000113.2E363 V364E363-L366 PolarHBondContact O-N 2.84Å; E363-L366 VanDerWaalsContact O-N 3.1Å; V364-L366 VanDerWaalsContact C-N 3.28Å; V364-L366 PolarHBondContact O-N 3.33Å
367P38.8Very low39.3Very low94 Ų94108.1 Ų108.161%0.6157%0.567SS**Hα-helixtrans-69.3-38.8171.1-2435000114E363 V364 R369 A370E363-P367 WeakPolarHBondContact O-CD 3.41Å; V364-P367 WeakPolarHBondContact O-CD 3.44Å; P367-R369 VanDerWaalsContact C-N 3.29Å; P367-R369 PolarHBondContact O-N 3.05Å; P367-A370 PolarHBondContact O-N 3.46Å
368R43.3Very low38.6Very low144 Ų144107.9 Ų107.954%0.54357%0.574SS.*Hα-helixtrans-66.5-26.7-179.6-98.8-176.2168.1-178.4-2113.6V364 A370 A371 L372V364-R368 WeakPolarHBondContact O-CB 3.17Å; V364-R368 PolarHBondContact O-N 2.89Å; V364-R368 VanDerWaalsContact O-N 3.16Å; R368-A370 PolarHBondContact O-N 3.11Å; R368-A371 PolarHBondContact O-N 3.44Å; R368-A371 VanDerWaalsContact O-N 3.14Å; R368-L372 PolarHBondContact O-N 2.84Å
369R41.4Very low38.2Very low130 Ų130111.5 Ų111.549%0.49160%0.6SS.*Hα-helixtrans-53.7-37.1172.7-88.6170.1166.3175.9-3113.2E167 Q365 P367E167-R369 IonicContact OE1-CZ 3.22Å; E167-R369 IonicContact OE1-NE 3.7Å; E167-R369 IonicContact OE1-NH2 2.68Å; E167-R369 PolarHBondContact OE1-NH2 3.13Å; Q365-R369 VanDerWaalsContact O-CG 3.29Å; Q365-R369 WeakPolarHBondContact O-CG 3.31Å; Q365-R369 PolarHBondContact O-N 3.18Å; Q365-R369 VanDerWaalsContact O-N 3.07Å; P367-R369 VanDerWaalsContact C-N 3.29Å; P367-R369 PolarHBondContact O-N 3.05Å
370A36.6Very low37.8Very low87 Ų87117.7 Ų117.772%0.71962%0.622SS**Hα-helixtrans-72.7-35.7178.300000112.9P367 R368P367-A370 PolarHBondContact O-N 3.46Å; R368-A370 PolarHBondContact O-N 3.11Å
371A39.4Very low37.5Very low87 Ų87126.1 Ų126.172%0.71965%0.647SS**Hα-helixtrans-74.8-23.5-175.600000114.1R368R368-A371 PolarHBondContact O-N 3.44Å; R368-A371 VanDerWaalsContact O-N 3.14Å
372L46.2Very low36.9Very low129 Ų129125.9 Ų125.968%0.67566%0.66SS**THydrogen-bonded Turntrans-91.42.7-178.4-72169.7000114.3R368 L374R368-L372 PolarHBondContact O-N 2.84Å; L372-L374 HydrophobicContact CB-CD1 4.42Å; L372-L374 HydrophobicContact CB-CG 4.4Å; L372-L374 PolarHBondContact O-N 3.34Å; L372-L374 VanDerWaalsContact O-N 3.1Å
373G34.2Very low36.2Very low62 Ų62131.5 Ų131.564%0.63968%0.678SS**THydrogen-bonded Turntrans66.311.717300000115.8R375G373-R375 PolarHBondContact O-N 2.88Å; G373-R375 VanDerWaalsContact O-N 3.09Å
374L44.2Very low35.9Very low107 Ų107133.8 Ų133.856%0.5669%0.688SS**  trans-69.4105178.7-66.4170.8000109.4L372L372-L374 HydrophobicContact CB-CD1 4.42Å; L372-L374 HydrophobicContact CB-CG 4.4Å; L372-L374 PolarHBondContact O-N 3.34Å; L372-L374 VanDerWaalsContact O-N 3.1Å
375R35Very low35Very low238 Ų238134.6 Ų134.690%0.89870%0.697SS**  trans-64.6137.3178.1-71.5-172.8175.7-147-0.8110.3G373 L377G373-R375 PolarHBondContact O-N 2.88Å; G373-R375 VanDerWaalsContact O-N 3.09Å; R375-L377 PolarHBondContact O-N 3.18Å; R375-L377 VanDerWaalsContact O-N 3.12Å
376Q32Very low34.1Very low190 Ų190137.1 Ų137.189%0.88872%0.719SS**  trans-65113.4168.2-62.5-15313.700109.8
377L31.6Very low33.2Very low161 Ų161143.3 Ų143.384%0.84374%0.735SS**  trans-77130.6156.5-74.4166.7000107.2R375R375-L377 PolarHBondContact O-N 3.18Å; R375-L377 VanDerWaalsContact O-N 3.12Å
378P27.6Very low32.8Very low97 Ų97143.6 Ų143.663%0.6374%0.737SS**  trans-63.9151178.727.8-34.3000110.1H380P378-H380 PolarHBondContact O-N 3.22Å
379P29Very low32.3Very low118 Ų118145.7 Ų145.777%0.76676%0.757SS**  trans-60.7113.4178.125.5-33.5000109.5W381P379-W381 PolarHBondContact O-N 3.11Å
380H28Very low31.6Very low188 Ų188143.8 Ų143.887%0.8777%0.77SS**  trans-65.7103167.3-110.2-87.3000107.6P378 A382P378-H380 PolarHBondContact O-N 3.22Å; H380-A382 PolarHBondContact O-N 3.45Å
381W26.3Very low31.3Very low240 Ų240144.5 Ų144.591%0.90978%0.776SS**  trans-56.5114.3163.8-81.4-43.6000108P379 R383P379-W381 PolarHBondContact O-N 3.11Å; W381-R383 VanDerWaalsContact C-N 3.3Å; W381-R383 PolarHBondContact O-N 3.48Å
382A28.8Very low30.7Very low78 Ų78152.2 Ų152.265%0.64579%0.786SS**  trans-60.596.7169.200000107.7H380 H384H380-A382 PolarHBondContact O-N 3.45Å; A382-H384 PolarHBondContact O-CD2 3.36Å; A382-H384 PolarHBondContact O-N 2.83Å
383R25.3Very low29.6Very low225 Ų225151.6 Ų151.685%0.84979%0.792SS**  trans-75.979.9-178.5-164178.8-174.2-155.51.7108.2W381 S385W381-R383 VanDerWaalsContact C-N 3.3Å; W381-R383 PolarHBondContact O-N 3.48Å; R383-S385 PolarHBondContact O-N 3.19Å
384H31.7Very low29.2Very low175 Ų175151.5 Ų151.581%0.8179%0.792SS**  trans-59.597.9170.2-73.6-87000109.1A382A382-H384 PolarHBondContact O-CD2 3.36Å; A382-H384 PolarHBondContact O-N 2.83Å
385S25.2Very low28.4Very low94 Ų94152.8 Ų152.866%0.65780%0.804SS**PPolyproline II helixtrans-87.6116.7162.2-71.20000108.1R383 W387R383-S385 PolarHBondContact O-N 3.19Å; S385-W387 PolarHBondContact O-N 3.35Å
386P29.3Very low28.1Very low118 Ų118152.4 Ų152.477%0.76680%0.803SS**PPolyproline II helixtrans-69.5121.8174.628.6-32.4000108.6P388P386-P388 VanDerWaalsContact O-CD 3.29Å; P386-P388 WeakPolarHBondContact O-CD 3.29Å
387W24.4Very low27.7Very low248 Ų248147.6 Ų147.694%0.93979%0.789SS**PPolyproline II helixtrans-77.7118.8177.6-151.4-53.6000109.5S385S385-W387 PolarHBondContact O-N 3.35Å
388P29Very low27.6Very low100 Ų100149 Ų14965%0.64979%0.791SS**PPolyproline II helixtrans-77.1138.3178.7-12.729.7000111.3P386 A390P386-P388 VanDerWaalsContact O-CD 3.29Å; P386-P388 WeakPolarHBondContact O-CD 3.29Å; P388-A390 PolarHBondContact O-N 3.31Å
389L33Very low27.4Very low187 Ų187149.2 Ų149.298%0.97979%0.79SS**  trans-62.6113.7162.2-74.1161.3000109.2
390A27.3Very low27.2Very low91 Ų91152.1 Ų152.175%0.75280%0.799SS**  trans-141.9110.617100000110.6P388P388-A390 PolarHBondContact O-N 3.31Å
391A29.8Very low27Very low102 Ų102148.4 Ų148.484%0.84379%0.789SS**  trans-67.9136.2166.400000109.7
392R26.6Very low26.9Very low248 Ų248142.8 Ų142.894%0.93679%0.785SS**  trans-153.8127.3154.6-119.9168.1-174.6-147.8-2.3114.4
393S24.1Very low26.6Very low116 Ų116143.6 Ų143.681%0.81179%0.786SS**  trans-74.9144.2169.650.40000112.7
394G24.5Very low26.7Very low61 Ų61138.9 Ų138.963%0.62979%0.788SS**  trans100.7117.3131.500000119.4
395T27.3Very low26.4Very low134 Ų134138.5 Ų138.582%0.82279%0.791SS**  trans62.8153.1148.749.90000117.8
396R28.6Very low27.2Very low230 Ų230139.1 Ų139.187%0.86879%0.792SS**  cis-167.5165.7-4.7-115.5178-179.7177.70.5106.1
397C25.2Very low27Very low88 Ų88145.4 Ų145.460%0.59580%0.801SS**  cis-164.7154.5-12.4-155.30000107.6
398H27.9Very low27.1Very low191 Ų191144.9 Ų144.988%0.88480%0.799SS**  trans-152.1158.2146.6-95.8-62.3000110.5
399T23.5Very low27Very low101 Ų101146.1 Ų146.162%0.6281%0.809SS**  trans-124146-138.2-39.20000112.6V401T399-V401 HydrophobicContact CG2-CG2 3.87Å
400L25.9Very low26.7Very low180 Ų180141.7 Ų141.794%0.94280%0.8SS**  trans-154.3149.6139.7-107.4163.5000109.9
401V23.8Very low26.7Very low109 Ų109143.8 Ų143.866%0.66180%0.803SS**  trans-126138.7-157.2169.20000111.6T399T399-V401 HydrophobicContact CG2-CG2 3.87Å
402C23.8Very low26.7Very low123 Ų123144.3 Ų144.383%0.83180%0.801SS**  trans-176.3141.3139.5-94.20000108.6
403S23.1Very low26.7Very low95 Ų95135.5 Ų135.566%0.66479%0.787SS**  cis164.8109-29.143.70000106.7
404S26.3Very low26.9Very low126 Ų126137.5 Ų137.588%0.88179%0.794SS**  trans-164.3116.9160.356.40000111.6
405L26.8Very low27.1Very low167 Ų167138.7 Ų138.787%0.87480%0.798SS**  trans-97.1-174.5173.8-81160.7000109.5
406P41.9Very low27.1Very low106 Ų106138.9 Ų138.969%0.68880%0.799SS**  cis-136.9177-47.837.4-22.8000112.9
407R25.1Very low27.3Very low250 Ų250136.3 Ų136.394%0.94380%0.797SS**  -164.6154.6125.2-112.8174.7177.8-151.3-1.6114.5
408R25.7Very low28.1Very low238 Ų238137.3 Ų137.390%0.89880%0.803SS**  trans-73.8163176.6-63.8174.6173.1-178.9-3.8109.8
409S27.1Very low28.2Very low125 Ų125139.8 Ų139.887%0.87480%0.804SS**  -167.7163.964.7-62.70000113.2
410A26.3Very low28.5Very low94 Ų94139.5 Ų139.578%0.77781%0.812SS**  trans-95.9168.3175.300000112.7
411V28.6Very low28.6Very low136 Ų136136 Ų13682%0.82481%0.81SS**  trans177.7155.6131.4153.40000111.8
412S28.2Very low28.9Very low113 Ų113135.6 Ų135.679%0.7982%0.817SS**  trans-36.9164.1-178.857.20000120.4
413G27Very low29.1Very low62 Ų62136.6 Ų136.664%0.63982%0.819SS**  cis158.3-158-1.600000115.1
414T28.2Very low29.4Very low158 Ų158140.7 Ų140.797%0.96983%0.828SS**  trans71.2141.5169.842.70000121.7
415A28.2Very low29.4Very low87 Ų87139.7 Ų139.772%0.71982%0.821SS**  trans-88.7-176.7-176.900000111.5
416T27.6Very low29.5Very low137 Ų137136.6 Ų136.684%0.8481%0.813SS**  cis-167.4154.144.8-34.60000112.8
417Q33.5Very low28.9Very low177 Ų177143.5 Ų143.583%0.82783%0.825SS**  trans-69.8178.5159.7-100.5-172.918.400111.4
418P42.4Very low29.1Very low109 Ų109141 Ų14171%0.70882%0.821SS**  cis-142.6-154.834.143.4-19.7000113.2
419R28.7Very low29.9Very low242 Ų242134.9 Ų134.991%0.91381%0.812SS**  cis-151-173.5-1.2-147.7165.4-172.9178.91.9110
420A30.6Very low29.9Very low95 Ų95134.4 Ų134.479%0.78581%0.808SS**  trans-114.4163.9176.800000113.5
421A27.8Very low30.1Very low108 Ų108135.3 Ų135.389%0.89381%0.809SS**  trans-157.7150.4156.200000111.1
422A30.6Very low30.1Very low99 Ų99135 Ų13582%0.81881%0.808SS**  trans-144.2146.4179.600000110.9
423V28.1Very low30.8Very low145 Ų145134.8 Ų134.888%0.87980%0.804SS**  trans-147.4148.8167.9-174.90000111.1
424H28.8Very low30.9Very low181 Ų181137 Ų13784%0.83881%0.809SS**  trans-80.4163.5-176.9-58.7-95.7000115.5
425S27.3Very low30.8Very low105 Ų105134.9 Ų134.973%0.73480%0.801SS**  152.7122.1104-163.40000116.9
426S28.7Very low31Very low101 Ų101137.1 Ų137.171%0.70681%0.806SS**  trans33.6121.7132.8-27.60000123.9
427R27.9Very low31.5Very low251 Ų251136.5 Ų136.595%0.94780%0.804SS**  156.4144.8110.5-90.2-175.4168.4-174.5-3.9115.8
428K30.3Very low31.2Very low199 Ų199131 Ų13187%0.86580%0.796SS**  trans-95.1175.6156.5-86.2-173.2177.6-177.50108.7
429P41.9Very low31.6Very low109 Ų109131.8 Ų131.871%0.70880%0.8SS**  cis-151.2179.327.242.5-20.5000120.1
430S28.3Very low31.7Very low114 Ų114126 Ų12680%0.79780%0.797SS**  trans60.2160.6152.557.60000119.9
431S28.7Very low31.7Very low113 Ų113125.7 Ų125.779%0.7979%0.794SS**  cis-152.2174.814.849.70000114.4
432T29.3Very low31.8Very low130 Ų130129 Ų12980%0.79879%0.791SS**  trans-78.9176.6-177.2-10.60000114.8
433P43.7Very low31.8Very low108 Ų108131.6 Ų131.670%0.70179%0.79SS**  -155.7162.769.441.6-20.1000121.2
434S28.1Very low31.7Very low108 Ų108132.4 Ų132.476%0.75579%0.788SS**  trans63.9150.5147.562.70000120.7
435S27.1Very low31.8Very low115 Ų115132.4 Ų132.480%0.80479%0.788SS**  cis-150.5156.811.736.50000114.1
436T31.8Very low33.2Very low134 Ų134132.9 Ų132.982%0.82279%0.788SS**  trans-109.3164.4164.9-19.10000108.8
437P38.9Very low33.2Very low124 Ų124134 Ų13481%0.80580%0.796SS**  -149.4165.481.738.5-19.3000116.6
438G26.8Very low33.2Very low62 Ų62130.3 Ų130.364%0.63980%0.795SS**  trans-94.4-139.9156.700000110.3
439P50.1Low33.1Very low125 Ų125124.3 Ų124.381%0.81279%0.79SS**  cis-142.6-156.3-10.335.6-11.7000113.3
440S30.4Very low32.5Very low119 Ų119130.4 Ų130.483%0.83280%0.798SS**  trans109.4155146.3-61.50000120.5
441A31.4Very low32.6Very low89 Ų89136.4 Ų136.474%0.73680%0.804SS**  trans-131.9167.5-160.700000113.5
442Q28.7Very low32.5Very low178 Ų178134.3 Ų134.383%0.83280%0.8SS**  trans-178.5124.9150.5-98156.730.400108
443I30.6Very low32.5Very low153 Ų153140.6 Ų140.679%0.78581%0.809SS**  55.3116.382.3-54176.9000114.1
444I27.1Very low31.8Very low163 Ų163139.3 Ų139.384%0.83682%0.816SS**  trans171.4133.7135.6-87.9158.2000110.7
445H30.2Very low31.8Very low180 Ų180145.5 Ų145.583%0.83382%0.822SS**  trans-111.1-179.3163.5-84.5-71.2000108.2
446P57.2Low31.9Very low116 Ų116151.2 Ų151.275%0.75383%0.827SS**  -125.9-176.1-52.938.8-24.1000110.5
447S27.7Very low32.8Very low125 Ų125149.9 Ų149.987%0.87482%0.82SS**  trans-152.7150.8162.659.60000115.6
448N29.3Very low32.4Very low173 Ų173151.3 Ų151.393%0.92582%0.816SS**  trans-101.2156.5-173.6-83.7-59.9000113.1
449G27.5Very low32.4Very low72 Ų72156.2 Ų156.274%0.74282%0.82SS**  trans167.378.6166.200000112.8
450R29.9Very low31.5Very low237 Ų237158 Ų15889%0.89482%0.821SS**  60.4127.877-109.7-168.1-167.7-154.65116.3
451R30.6Very low31.2Very low241 Ų241164.2 Ų164.291%0.90983%0.827SS**  trans79.5139.3171.7-47.6179.5-168-141.34.3115.4
452G26.7Very low31Very low69 Ų69164 Ų16471%0.71182%0.824SS**  cis160.7146.7-1300000115
453R28.4Very low31Very low261 Ų261164.9 Ų164.999%0.98583%0.829SS**  trans60.5121.9160.5-64.3-174.8172.6-151.7-0.9120
454G28.5Very low30.9Very low82 Ų82166 Ų16685%0.84583%0.831SS**  trans-161.1116.2155.900000110.8
455R29.6Very low30.9Very low237 Ų237163.9 Ų163.989%0.89482%0.82SS**  trans-108.6125.9-174.7-84.1179.8169.5-176.1-2.2111.5
456R28.5Very low30.7Very low236 Ų236162.2 Ų162.289%0.89182%0.823SS**  trans61175.7136.5-76.2-169.1176.4-170-0.2118.4
457P50.7Low29.3Very low105 Ų105162.9 Ų162.968%0.68282%0.82SS**  -138-155.8-50.841.4-23.7000112
458Q29.5Very low29.3Very low155 Ų155166.5 Ų166.572%0.72482%0.823SS**  trans94.2145.6169.1-55.8-16113.900115.9
459K28.6Very low29.3Very low165 Ų165164.2 Ų164.272%0.71782%0.815SS**  cis-156.7149-14.9-119176.1-173.6169.20110.9
460L29.5Very low29.5Very low162 Ų162166.4 Ų166.485%0.84882%0.816SS**  trans-13.6134149.5-79.3131.7000118.5
461R24.3Very low29.4Very low250 Ų250160.1 Ų160.194%0.94382%0.815SS**  -145.9141.5124-139.3179.7-157.7-161.65.4110.5
462A28.9Very low29.4Very low83 Ų83158.3 Ų158.369%0.68681%0.814SS**  trans-100.8158.817800000110.8
463Q28.5Very low29.4Very low197 Ų197166.7 Ų166.792%0.92182%0.824SS**  trans-151.9146.1141.3-119.4167.91.400112.1
464E27.6Very low29.4Very low177 Ų177161.2 Ų161.283%0.82781%0.813SS**  trans-70.4178.1179.3-77.2164.8124.500113.1
465L26.6Very low29.3Very low119 Ų119165.1 Ų165.162%0.62381%0.814SS**  cis174.3126.5-26.2-177.7159.4000105.4L467L465-L467 HydrophobicContact CD2-CD1 3.72Å; L465-L467 HydrophobicContact CD2-CG 4.11Å
466T27Very low29.3Very low144 Ų144161.3 Ų161.388%0.88381%0.81SS**  trans-150.8135.4159.4-350000110.9
467L28.3Very low29.3Very low131 Ų131154.6 Ų154.669%0.68681%0.805SS**  trans-92.1156-171.7-55.6107000112.7L465L465-L467 HydrophobicContact CD2-CD1 3.72Å; L465-L467 HydrophobicContact CD2-CG 4.11Å
468Q27.1Very low28.1Very low201 Ų201152.9 Ų152.994%0.93981%0.807SS**  -142.5158.5126.6-76.4-151.2-7.500110.8
469T29.1Very low27.9Very low124 Ų124152.3 Ų152.376%0.76181%0.814SS**  trans-114.2147.3-146.8-48.20000113.4
470P31.5Very low27.8Very low119 Ų119150.4 Ų150.477%0.77382%0.816SS**  trans-87.2159.1177.534.8-36.2000114.4
471A29.1Very low27.6Very low104 Ų104148.6 Ų148.686%0.8682%0.816SS**  trans-87.6114.1-177.700000114.2
472K29.3Very low27.7Very low204 Ų204142.6 Ų142.689%0.88781%0.807SS**  trans7.3121.9154.6-64.6175.6178177.60119.2
473R27.9Very low27.6Very low245 Ų245144.6 Ų144.693%0.92581%0.81SS**  trans-109.6128.2153.8-157.2-178.2-154.6-177.45.1107.6
474L28Very low27.5Very low146 Ų146140.8 Ų140.876%0.76481%0.806SS**  trans-95.7132.4179-109.8138.5000110.5L476L474-L476 HydrophobicContact CD2-CD1 4.43Å
475L26.9Very low27.5Very low164 Ų164135.7 Ų135.786%0.85980%0.801SS**  trans-136.5140.4167.5-90.2168.1000107.3
476L28.3Very low28.1Very low156 Ų156136.3 Ų136.382%0.81781%0.812SS**  trans-139.3120171.2-106149000108.1L474L474-L476 HydrophobicContact CD2-CD1 4.43Å
477A27.8Very low28.4Very low95 Ų95137.9 Ų137.979%0.78581%0.809SS**  trans-73.4160.8152.800000108
478G25.8Very low29Very low69 Ų69136.7 Ų136.771%0.71181%0.809SS**  cis134.7113.77.200000108.4
479T25.3Very low29.2Very low143 Ų143135.5 Ų135.588%0.87780%0.804SS**  trans-146.9142.3179.4-41.60000110.6
480T26.5Very low29.9Very low125 Ų125135 Ų13577%0.76780%0.802SS**  trans-91.8146.6-17947.70000112.8
481C25.2Very low30Very low124 Ų124136.9 Ų136.984%0.83881%0.805SS**  -176.5137.2122.6-100.60000114.7
482T26.2Very low30.7Very low124 Ų124137.6 Ų137.676%0.76180%0.801SS**  trans-37.8149.1165.748.10000119.4
483V27.1Very low30.9Very low125 Ų125137.2 Ų137.276%0.75880%0.803SS**  158.5128.1113.5164.20000113.4
484S28Very low30.9Very low117 Ų117129.6 Ų129.682%0.81880%0.8SS**  trans53.7145153.9-58.40000125.2
485G25.7Very low30.8Very low70 Ų70126.8 Ų126.872%0.72281%0.807SS**  trans-85-159.1166.400000113.9
486P40.4Very low31Very low133 Ų133123.8 Ų123.886%0.86481%0.805SS**  cis-144.8-177.945.143.3-24.3000117.7
487E32.3Very low31.1Very low177 Ų177124.5 Ų124.583%0.82781%0.809SS**  trans-102.8178.5158.8-115.9-164.4150.600109.2
488P42.1Very low31.3Very low105 Ų105127.6 Ų127.668%0.68281%0.809SS**  cis-143.9174.219.642.2-22000119.1
489E29.7Very low31.5Very low176 Ų176132 Ų13282%0.82282%0.816SS**  trans58.1168.9144.3-85.3-156.6174.700123.6
490P43.8Very low31.9Very low113 Ų113134 Ų13473%0.73481%0.813SS**  cis-132-172.8-12.624.50.2000116
491L34.1Very low32.7Very low160 Ų160134.2 Ų134.284%0.83882%0.816SS**  trans-73.7168.7174.5-67163.3000114.9
492P44.5Very low33.1Very low118 Ų118134.1 Ų134.177%0.76681%0.812SS**  -136.4137.5102.819.41.2000113.4
493E32.7Very low34.3Very low197 Ų197133.4 Ų133.492%0.92181%0.809SS**  67129.987.3-71.8-153.1151.100118.1
494G28.2Very low34.4Very low85 Ų85135.7 Ų135.788%0.87682%0.816SS**  trans126.6124.4145.500000118.2
495G26.5Very low34.6Very low87 Ų87136.5 Ų136.590%0.89781%0.812SS**  trans121.4115.1153.100000116.7
496A30.6Very low35.5Very low101 Ų101139.4 Ų139.484%0.83582%0.817SS**  trans-113.1167.1176.600000112.3
497L29.5Very low34.9Very low171 Ų171135.7 Ų135.790%0.89580%0.804SS**  trans143.7156.6130.2-154.364.5000113.7
498M33.7Very low34.7Very low160 Ų160134.6 Ų134.679%0.78880%0.803SS**  trans-65.5151.3-175.2-61.5-76.6-170.800114.3
499D29.8Very low34.2Very low160 Ų160137.7 Ų137.786%0.85681%0.808SS**  -178162.499.2-101-30.1000114.6
500K33.5Very low34.3Very low187 Ų187137.4 Ų137.481%0.81381%0.806SS**  trans-120.7147169.3-82.6-175174.51790108.9
501P43.3Very low34.2Very low128 Ų128138.2 Ų138.283%0.83181%0.811SS**  -148.5140.899.432.5-13.1000118.3
502V34.3Very low34.1Very low123 Ų123136.4 Ų136.475%0.74581%0.807SS**  trans-12.8161.4137.5-158.30000117.4
503P49.8Very low33.3Very low109 Ų109141 Ų14171%0.70882%0.815SS**  cis-127.9-172.7-42.740.1-25.3000112.8
504L30Very low33.2Very low172 Ų172135.9 Ų135.990%0.90181%0.806SS**  trans-159.5149.3134.8-111.7163.1000113.1
505N32.3Very low33.3Very low135 Ų135137.7 Ų137.772%0.72281%0.806SS**  trans-113.9159.7-179.3-160.911.3000108.1
506P43.9Very low33.3Very low130 Ų130144.1 Ų144.184%0.84480%0.803SS**  -138135.912933.8-21000112.7
507G27.5Very low33.2Very low56 Ų56145.4 Ų145.458%0.57780%0.804SS**  trans-121.3152169.400000111.5
508L30Very low33Very low154 Ų154142.2 Ų142.281%0.80680%0.796SS**  trans178.2142.9160.9-112.9106.8000105
509Q31Very low32.9Very low169 Ų169147.1 Ų147.179%0.7981%0.806SS**  cis-159.5158.1-15.4-125.8172.22800107.4
510H32.2Very low32.8Very low171 Ų171144.1 Ų144.179%0.79280%0.803SS**  trans-72.5168174-78.4-71.4000112.4
511P41.1Very low33.5Very low129 Ų129140.5 Ų140.584%0.83880%0.799SS**  -131.6160.9102.136.2-28.1000115.5
512V32Very low33Very low123 Ų123140.5 Ų140.575%0.74580%0.796SS**  trans-85.1146.7-173.2172.70000111.9
513K27.9Very low34Very low213 Ų213143.8 Ų143.893%0.92682%0.82SS**  trans-144.7121.2145-116.3173.7-174.21770111.6
514A29.6Very low33.2Very low90 Ų90145.5 Ų145.574%0.74483%0.826SS**  trans-80.7147.7175.400000111.1
515S30.2Very low33.4Very low124 Ų124144.1 Ų144.187%0.86782%0.822SS**  trans-112.2122.7162.2-174.60000108.8
516R27.2Very low33.5Very low221 Ų221144.6 Ų144.683%0.83483%0.828SS**  trans-91.8142.4179.9-72.9-178.5171.4-163.8-1.5110.3S518R516-S518 PolarHBondContact O-N 3.21Å
517C27.5Very low32.9Very low129 Ų129145.5 Ų145.587%0.87283%0.827SS**  trans-61.5131.5152.2-65.40000109.2
518S26.8Very low33.2Very low103 Ų103151.1 Ų151.172%0.7284%0.842SS**  trans-153.2126.8162.3-70.50000109.1R516R516-S518 PolarHBondContact O-N 3.21Å
519W30.2Very low33.4Very low263 Ų263150.9 Ų150.9100%0.99685%0.845SS**  trans-77.9150.1170-73.956.3000109.6
520A29.1Very low33.6Very low97 Ų97149.6 Ų149.680%0.80285%0.849SS**  trans-144.7151.816300000109.9
521P46.8Very low33.7Very low112 Ų112147.9 Ų147.973%0.72785%0.853SS**  trans-121.7171.9-165.842.9-30.5000115.6
522V33.9Very low33.1Very low127 Ų127149.5 Ų149.577%0.7785%0.854SS**  trans61.4162.2165.9-102.50000116.8
523P55.8Low33.2Very low192 Ų192151.9 Ų151.9100%1.24786%0.864SS**  cis-82.8021.7-9.429.1000117.1

Retrieved 523 of 523 residues in 2316.9 ms (Link to these results)

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