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Cathepsin B

Thiol protease which is believed to participate in intracellular degradation and turnover of proteins1. Cleaves matrix extracellular phosphoglycoprotein MEPE2. Involved in the solubilization of cross-linked TG/thyroglobulin in the thyroid follicle lumen (By similarity). Has also been implicated in tumor invasion and metastasis3.

AlphaFold DB , UniProt , Accession P07858, Species HUMAN (Homo sapiens, Human), Gene CTSB, Length 339 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
1M41.4Very low39.1Very low237 Ų237167.5 Ų167.5100%1.16787%0.869SS**  092.70-74.8-179.8-73.100108.1
2W35.5Very low39Very low261 Ų261166.6 Ų166.699%0.98987%0.865SS**  trans-108.7102.1175.3-79.423.3000106.8
3Q38.7Very low39.2Very low186 Ų186163.5 Ų163.587%0.86986%0.857SS**  trans-98.1111.3170.8-96.4178.4-32.600108.5W5Q3-W5 PolarHBondContact O-N 3.36Å
4L40.2Very low39.2Very low172 Ų172163.5 Ų163.590%0.90186%0.857SS**  trans-58.4125.4173.1-79.5140.5000110.5A6L4-A6 PolarHBondContact O-N 3.47Å
5W39.3Very low39.6Very low243 Ų243158.5 Ų158.592%0.9285%0.849SS**  trans-75.6106.7168.4-76.632.6000108.6Q3 S7Q3-W5 PolarHBondContact O-N 3.36Å; W5-S7 PolarHBondContact O-N 3.48Å
6A41Very low39.6Very low97 Ų97157.9 Ų157.980%0.80285%0.846SS**  trans-8498.816700000108.4L4 L8L4-A6 PolarHBondContact O-N 3.47Å; A6-L8 PolarHBondContact O-N 3.14Å
7S43.1Very low39.8Very low104 Ų104154 Ų15473%0.72784%0.84SS**  trans-70.1111.4172.4-580000109.8W5 C9W5-S7 PolarHBondContact O-N 3.48Å; S7-C9 PolarHBondContact O-N 2.86Å; S7-C9 VanDerWaalsContact O-N 3.1Å
8L39Very low40.3Very low158 Ų158158.1 Ų158.183%0.82784%0.841SS**  trans-63.3102.1170.2-129.589.2000109.1A6 C10A6-L8 PolarHBondContact O-N 3.14Å; L8-C10 PolarHBondContact O-N 3.44Å
9C37.8Very low41.5Very low119 Ų119155.6 Ų155.680%0.80484%0.838SS**  trans-79.194.9165.6-91.20000109S7 L11S7-C9 PolarHBondContact O-N 2.86Å; S7-C9 VanDerWaalsContact O-N 3.1Å; C9-L11 PolarHBondContact O-N 2.87Å; C9-L11 VanDerWaalsContact O-N 3.1Å
10C35.6Very low42.7Very low105 Ų105155.8 Ų155.871%0.70983%0.826SS**  trans-70.195.9163.1-780000109.1L8 L12L8-C10 PolarHBondContact O-N 3.44Å; C10-L12 PolarHBondContact O-N 2.94Å; C10-L12 VanDerWaalsContact O-N 3.1Å
11L39Very low43.9Very low161 Ų161150.8 Ų150.884%0.84380%0.802SS**  trans-71.495.1165.4-86.8159.1000109C9 V13C9-L11 PolarHBondContact O-N 2.87Å; C9-L11 VanDerWaalsContact O-N 3.1Å; L11-V13 PolarHBondContact O-N 3.37Å; L11-V13 VanDerWaalsContact O-N 3.15Å
12L37.7Very low45.4Very low156 Ų156145.3 Ų145.382%0.81779%0.787SS**  trans-70.198.4164.1-82.7160.1000108.6C10 L14C10-L12 PolarHBondContact O-N 2.94Å; C10-L12 VanDerWaalsContact O-N 3.1Å; L12-L14 PolarHBondContact O-N 3.42Å; L12-L14 VanDerWaalsContact O-N 3.09Å
13V41.6Very low47.4Very low127 Ų127134.9 Ų134.977%0.7775%0.749SS**  trans-73.695.2167.1179.60000107.6L11 A15L11-V13 PolarHBondContact O-N 3.37Å; L11-V13 VanDerWaalsContact O-N 3.15Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.25Å
14L39.3Very low49.4Very low163 Ų163131.8 Ų131.885%0.85373%0.734SS**  trans-68.690.9164.9-77.9163.8000107.9L12 N16L12-L14 PolarHBondContact O-N 3.42Å; L12-L14 VanDerWaalsContact O-N 3.09Å; L14-N16 PolarHBondContact O-N 2.81Å
15A44.7Very low51.2Low89 Ų89123.8 Ų123.874%0.73669%0.693SS**  trans-63.1101165.700000107.7V13 A17V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 3.25Å; A15-A17 PolarHBondContact O-N 3Å
16N39.2Very low53.3Low149 Ų149113.6 Ų113.680%0.79766%0.656SS**  trans-71.978.4175.2-135.3-14.8000107.7L14 R18L14-N16 PolarHBondContact O-N 2.81Å; N16-R18 PolarHBondContact O-N 3.46Å
17A44.1Very low55.7Low91 Ų91109.9 Ų109.975%0.75262%0.624SS**  trans-66.786.7166.800000106.8A15 S19A15-A17 PolarHBondContact O-N 3Å; A17-S19 VanDerWaalsContact C-N 3.3Å; A17-S19 PolarHBondContact O-N 3.49Å
18R49Very low58.1Low228 Ų228110.1 Ų110.186%0.8662%0.617SS**  trans-58.9100.5167.5-83.1-177.4174.3173.1-1.7106.6N16 R20N16-R18 PolarHBondContact O-N 3.46Å; R18-R20 PolarHBondContact O-N 2.87Å
19S62.1Low60.8Low110 Ų110108.5 Ų108.577%0.76961%0.606SS**PPolyproline II helixtrans-53.2127.8169.639.90000108A17A17-S19 VanDerWaalsContact C-N 3.3Å; A17-S19 PolarHBondContact O-N 3.49Å
20R64.8Low63.4Low159 Ų159102.9 Ų102.960%0.657%0.567SS**PPolyproline II helixtrans-58.8133.5172.4-76-174.3176.9-174-2.7107.6R18 S22 H269 V270R18-R20 PolarHBondContact O-N 2.87Å; R20-S22 PolarHBondContact O-N 3.02Å; R20-H269 PolarHBondContact NH1-NE2 3.14Å; R20-V270 PolarHBondContact NH1-O 2.95Å; R20-V270 VanDerWaalsContact NH1-O 3.13Å
21P68.6Low66.3Low52 Ų5298.5 Ų98.534%0.33854%0.537SS..PPolyproline II helixtrans-60134.9178.523.8-31.9000110.1F23 Y33P21-F23 HydrophobicContact CB-CD2 4.46Å; P21-F23 HydrophobicContact CB-CE1 4.44Å; P21-F23 HydrophobicContact CB-CE2 3.73Å; P21-F23 HydrophobicContact CB-CZ 3.7Å; P21-F23 HydrophobicContact CG-CE2 3.59Å; P21-F23 HydrophobicContact CG-CZ 3.84Å; P21-Y33 HydrophobicContact CG-CD2 4.49Å; P21-Y33 HydrophobicContact CG-CE2 3.91Å
22S73.7Confident69.1Low122 Ų12294.9 Ų94.985%0.85352%0.519SS*.PPolyproline II helixtrans-89.4126.8173.3-177.50000108.8R20R20-S22 PolarHBondContact O-N 3.02Å
23F76.7Confident71.9Confident42 Ų4290.3 Ų90.318%0.18449%0.491CS..  trans-123.3149.8176.8-60.5-72.5000109P21 E29 L30 Y33P21-F23 HydrophobicContact CB-CD2 4.46Å; P21-F23 HydrophobicContact CB-CE1 4.44Å; P21-F23 HydrophobicContact CB-CE2 3.73Å; P21-F23 HydrophobicContact CB-CZ 3.7Å; P21-F23 HydrophobicContact CG-CE2 3.59Å; P21-F23 HydrophobicContact CG-CZ 3.84Å; F23-E29 HydrophobicContact CD1-CB 3.74Å; F23-E29 HydrophobicContact CE1-CB 3.97Å; F23-L30 HydrophobicContact CB-CB 3.88Å; F23-L30 HydrophobicContact CB-CD1 4.17Å; F23-L30 HydrophobicContact CB-CG 4.45Å; F23-L30 HydrophobicContact CD2-CD1 3.85Å; F23-L30 HydrophobicContact CG-CB 4.34Å; F23-L30 HydrophobicContact CG-CD1 4.37Å; F23-Y33 HydrophobicContact CE2-CD1 4Å; F23-Y33 AromaticContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CE2 4.41Å; F23-Y33 AromaticContact CE2-CG 3.62Å; F23-Y33 HydrophobicContact CE2-CG 3.62Å; F23-Y33 AromaticContact CZ-CD2 3.9Å; F23-Y33 HydrophobicContact CZ-CD2 3.9Å; F23-Y33 AromaticContact CZ-CG 4Å; F23-Y33 HydrophobicContact CZ-CG 4Å
24H80.8Confident74.5Confident120 Ų12084.3 Ų84.356%0.55646%0.455SS*.  trans-59.7134.5169.3-177.4-91000109.4L26 S27H24-L26 PolarHBondContact ND1-N 3.38Å; H24-L26 PolarHBondContact O-N 3.1Å; H24-S27 PolarHBondContact O-N 2.85Å; H24-S27 PolarHBondContact O-OG 2.97Å
25P78.4Confident77.3Confident4 Ų479.2 Ų79.23%0.02643%0.429CS..THydrogen-bonded Turntrans-52.7-25.2-171.4-35.440.5000116.6L30 M52 E273P25-L30 WeakPolarHBondContact O-CD2 3.25Å; P25-M52 HydrophobicContact CB-CE 3.86Å; P25-M52 HydrophobicContact CB-SD 4.32Å; P25-M52 HydrophobicContact CG-CE 3.55Å; P25-M52 HydrophobicContact CG-SD 3.96Å; P25-E273 VanDerWaalsContact CG-OE1 3.32Å; P25-E273 WeakPolarHBondContact CG-OE1 3.43Å
26L83.1Confident79.8Confident29 Ų2983.3 Ų83.315%0.15243%0.43CS..THydrogen-bonded Turntrans-119.825.6179.8-57.2-177.9000112.9H24 H45 F47 V50 L55 L261H24-L26 PolarHBondContact ND1-N 3.38Å; H24-L26 PolarHBondContact O-N 3.1Å; L26-H45 PolarHBondContact O-CE1 2.84Å; L26-F47 HydrophobicContact CD1-CB 3.8Å; L26-F47 HydrophobicContact CD2-CB 3.92Å; L26-F47 HydrophobicContact CD2-CD2 4.38Å; L26-V50 HydrophobicContact CD1-CG2 3.78Å; L26-L55 HydrophobicContact CD1-CD1 3.83Å; L26-L55 HydrophobicContact CD2-CD1 4.26Å; L26-L55 HydrophobicContact CG-CD1 4Å; L26-L261 HydrophobicContact CD2-CD2 4.16Å
27S91.4Very high82.4Confident20 Ų2083.5 Ų83.514%0.1442%0.419CS..  trans-80.6148.9177.969.60000112.7H24 E29 L30 V31H24-S27 PolarHBondContact O-N 2.85Å; H24-S27 PolarHBondContact O-OG 2.97Å; S27-E29 PolarHBondContact O-N 3.27Å; S27-L30 PolarHBondContact O-N 3.38Å; S27-L30 VanDerWaalsContact O-N 3.13Å; S27-L30 PolarHBondContact OG-N 3.36Å; S27-V31 PolarHBondContact O-N 2.79Å
28D94.4Very high84.7Confident108 Ų10886.3 Ų86.358%0.57842%0.422SS*.Hα-helixtrans-55.5-30.6166.9-71.4-33.7000111.8V31 N32 H45D28-V31 PolarHBondContact O-N 3.41Å; D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.49Å; D28-N32 PolarHBondContact O-N 3.22Å; D28-N32 PolarHBondContact O-ND2 3.08Å; D28-H45 IonicContact OD1-CD2 3.94Å; D28-H45 IonicContact OD1-CE1 2.67Å; D28-H45 IonicContact OD1-NE2 3.08Å; D28-H45 PolarHBondContact OD1-NE2 3.45Å
29E94.9Very high87Confident124 Ų12477.4 Ų77.458%0.57939%0.393SS*.Hα-helixtrans-64.1-40.7178.2-58.7169.3158.200111.6F23 S27 N32 Y33F23-E29 HydrophobicContact CD1-CB 3.74Å; F23-E29 HydrophobicContact CE1-CB 3.97Å; S27-E29 PolarHBondContact O-N 3.27Å; E29-N32 PolarHBondContact O-N 3.34Å; E29-Y33 WeakPolarHBondContact O-CB 3.37Å; E29-Y33 PolarHBondContact O-N 2.67Å
30L93.3Very high88.7Confident1 Ų174 Ų741%0.00537%0.368CS..Hα-helixtrans-66.7-46.3177.1-17757.8000110.9F23 P25 S27 N32 Y33 V34 L261 T271F23-L30 HydrophobicContact CB-CB 3.88Å; F23-L30 HydrophobicContact CB-CD1 4.17Å; F23-L30 HydrophobicContact CB-CG 4.45Å; F23-L30 HydrophobicContact CD2-CD1 3.85Å; F23-L30 HydrophobicContact CG-CB 4.34Å; F23-L30 HydrophobicContact CG-CD1 4.37Å; P25-L30 WeakPolarHBondContact O-CD2 3.25Å; S27-L30 PolarHBondContact O-N 3.38Å; S27-L30 VanDerWaalsContact O-N 3.13Å; S27-L30 PolarHBondContact OG-N 3.36Å; L30-N32 PolarHBondContact O-N 3.31Å; L30-Y33 PolarHBondContact O-N 2.8Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 2.63Å; L30-L261 HydrophobicContact CB-CD1 4.09Å; L30-L261 HydrophobicContact CD2-CD1 3.66Å; L30-L261 HydrophobicContact CG-CD1 3.59Å; L30-T271 HydrophobicContact CD1-CG2 3.33Å
31V96.5Very high90.3Very high13 Ų1366.7 Ų66.78%0.07934%0.34CS..Hα-helixtrans-55.3-52174.1172.80000110.5S27 D28 Y33 V34 N35 A43 L261S27-V31 PolarHBondContact O-N 2.79Å; D28-V31 PolarHBondContact O-N 3.41Å; V31-Y33 VanDerWaalsContact C-N 3.33Å; V31-Y33 PolarHBondContact O-N 2.81Å; V31-V34 PolarHBondContact O-N 3.03Å; V31-N35 WeakPolarHBondContact O-CB 3.23Å; V31-N35 PolarHBondContact O-N 3.35Å; V31-N35 PolarHBondContact O-ND2 3.07Å; V31-A43 HydrophobicContact CG1-CB 4.28Å; V31-L261 HydrophobicContact CG2-CD1 3.73Å; V31-L261 HydrophobicContact CG2-CD2 3.99Å; V31-L261 HydrophobicContact CG2-CG 4.32Å
32N96.6Very high91.8Very high85 Ų8568.8 Ų68.846%0.45535%0.345SS..Hα-helixtrans-64.3-37.3-179.5-74.4-43000112.3D28 E29 L30 K36D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.49Å; D28-N32 PolarHBondContact O-N 3.22Å; D28-N32 PolarHBondContact O-ND2 3.08Å; E29-N32 PolarHBondContact O-N 3.34Å; L30-N32 PolarHBondContact O-N 3.31Å; N32-K36 WeakPolarHBondContact O-CB 3.24Å; N32-K36 VanDerWaalsContact O-CG 3.25Å; N32-K36 WeakPolarHBondContact O-CG 3.27Å; N32-K36 PolarHBondContact O-N 2.66Å
33Y96.2Very high92.9Very high61 Ų6163.4 Ų63.424%0.23931%0.308CS..Hα-helixtrans-64-48.1177.5178.2-93.6000111.1P21 F23 E29 L30 V31 K36 R37 V270 T271P21-Y33 HydrophobicContact CG-CD2 4.49Å; P21-Y33 HydrophobicContact CG-CE2 3.91Å; F23-Y33 HydrophobicContact CE2-CD1 4Å; F23-Y33 AromaticContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CD2 3.85Å; F23-Y33 HydrophobicContact CE2-CE2 4.41Å; F23-Y33 AromaticContact CE2-CG 3.62Å; F23-Y33 HydrophobicContact CE2-CG 3.62Å; F23-Y33 AromaticContact CZ-CD2 3.9Å; F23-Y33 HydrophobicContact CZ-CD2 3.9Å; F23-Y33 AromaticContact CZ-CG 4Å; F23-Y33 HydrophobicContact CZ-CG 4Å; E29-Y33 WeakPolarHBondContact O-CB 3.37Å; E29-Y33 PolarHBondContact O-N 2.67Å; L30-Y33 PolarHBondContact O-N 2.8Å; V31-Y33 VanDerWaalsContact C-N 3.33Å; V31-Y33 PolarHBondContact O-N 2.81Å; Y33-K36 PolarHBondContact O-N 2.87Å; Y33-R37 HydrophobicContact CE1-CG 4.24Å; Y33-R37 WeakPolarHBondContact O-CG 3.4Å; Y33-R37 PolarHBondContact O-N 2.83Å; Y33-V270 HydrophobicContact CE1-CG1 4.01Å; Y33-T271 HydrophobicContact CD1-CG2 3.61Å; Y33-T271 HydrophobicContact CE1-CG2 3.67Å
34V96.4Very high93.9Very high0 Ų062.1 Ų62.10%031%0.306CS..Hα-helixtrans-60-50.8177172.30000110.6L30 V31 K36 R37 W41 A43 D258L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 2.63Å; V31-V34 PolarHBondContact O-N 3.03Å; V34-K36 VanDerWaalsContact C-N 3.27Å; V34-K36 PolarHBondContact O-N 2.92Å; V34-R37 WeakPolarHBondContact O-CB 3.32Å; V34-R37 PolarHBondContact O-N 3.3Å; V34-W41 HydrophobicContact CB-CH2 4.42Å; V34-W41 HydrophobicContact CB-CZ2 4.45Å; V34-W41 HydrophobicContact CG1-CD2 4.21Å; V34-W41 HydrophobicContact CG1-CE3 4.35Å; V34-W41 HydrophobicContact CG1-CH2 3.6Å; V34-W41 HydrophobicContact CG1-CZ2 3.42Å; V34-W41 VanDerWaalsContact CG1-CZ2 3.42Å; V34-W41 HydrophobicContact CG1-CZ3 4.06Å; V34-W41 HydrophobicContact CG2-CH2 4.16Å; V34-W41 HydrophobicContact CG2-CZ2 4.18Å; V34-A43 HydrophobicContact CB-CB 3.89Å; V34-A43 HydrophobicContact CG1-CB 3.8Å; V34-D258 HydrophobicContact CG2-CB 4.22Å
35N97.6Very high94.5Very high57 Ų5757.9 Ų57.931%0.30529%0.287SS..Hα-helixtrans-62.3-33.9-177.8-72.9-26.4000112.5V31 R37 N38 A43V31-N35 WeakPolarHBondContact O-CB 3.23Å; V31-N35 PolarHBondContact O-N 3.35Å; V31-N35 PolarHBondContact O-ND2 3.07Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 2.58Å; N35-N38 PolarHBondContact O-N 3.42Å; N35-A43 PolarHBondContact ND2-O 3.25Å; N35-A43 PolarHBondContact OD1-N 2.84Å
36K97.2Very high95.3Very high174 Ų17457.7 Ų57.776%0.75729%0.285SS*.Hα-helixtrans-69.9-17.8174.9-79.2177.3179.51770114.2N32 Y33 V34 N38N32-K36 WeakPolarHBondContact O-CB 3.24Å; N32-K36 VanDerWaalsContact O-CG 3.25Å; N32-K36 WeakPolarHBondContact O-CG 3.27Å; N32-K36 PolarHBondContact O-N 2.66Å; Y33-K36 PolarHBondContact O-N 2.87Å; V34-K36 VanDerWaalsContact C-N 3.27Å; V34-K36 PolarHBondContact O-N 2.92Å; K36-N38 VanDerWaalsContact C-N 3.27Å; K36-N38 PolarHBondContact O-N 2.91Å
37R94.8Very high95.7Very high154 Ų15456.4 Ų56.458%0.58128%0.279SS*.THydrogen-bonded Turntrans-79.7-8180-69.2-71.5-65.7178.6-0.4113.2Y33 V34 N35 T39 V270Y33-R37 HydrophobicContact CE1-CG 4.24Å; Y33-R37 WeakPolarHBondContact O-CG 3.4Å; Y33-R37 PolarHBondContact O-N 2.83Å; V34-R37 WeakPolarHBondContact O-CB 3.32Å; V34-R37 PolarHBondContact O-N 3.3Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 2.58Å; R37-T39 HydrophobicContact CB-CG2 3.83Å; R37-T39 PolarHBondContact O-N 3.37Å; R37-V270 HydrophobicContact CB-CG1 4.42Å; R37-V270 HydrophobicContact CG-CG1 4.03Å
38N92.8Very high95.6Very high149 Ų14960.7 Ų60.780%0.79729%0.292SS*.THydrogen-bonded Turntrans47.549.2-176.7-74.4-22.8000111.7N35 K36N35-N38 PolarHBondContact O-N 3.42Å; K36-N38 VanDerWaalsContact C-N 3.27Å; K36-N38 PolarHBondContact O-N 2.91Å
39T96.7Very high95Very high41 Ų4163.1 Ų63.125%0.25231%0.306SS..  trans-76.1-175.9172.3660000110.1R37 W41 V270R37-T39 HydrophobicContact CB-CG2 3.83Å; R37-T39 PolarHBondContact O-N 3.37Å; T39-W41 PolarHBondContact O-N 3.14Å; T39-W41 PolarHBondContact OG1-NE1 2.69Å; T39-W41 PolarHBondContact OG1-O 3.2Å; T39-V270 HydrophobicContact CG2-CG2 3.51Å
40T98.4Very high94.6Very high40 Ų4058.3 Ų58.325%0.24528%0.284CS..SBendtrans-78.48.1-179.149.80000114G265 V266 Q268 T291T40-G265 CarbonylContact O-C 3.58Å; T40-G265 WeakPolarHBondContact O-CA 3.47Å; T40-V266 CarbonylContact C-O 3.59Å; T40-V266 WeakPolarHBondContact CB-O 3.43Å; T40-V266 PolarHBondContact O-N 3.32Å; T40-V266 PolarHBondContact OG1-O 2.86Å; T40-Q268 VanDerWaalsContact CG2-NE2 3.34Å; T40-Q268 PolarHBondContact OG1-NE2 3.3Å; T40-T291 HydrophobicContact CG2-CG2 3.96Å; T40-T291 VanDerWaalsContact CG2-OG1 3.25Å; T40-T291 WeakPolarHBondContact CG2-OG1 3.47Å
41W98.7Very high94.1Very high4 Ų462.4 Ų62.42%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-145160.7-177.265.7-78.6000111.8V34 T39 A43 D258 Y262 S264 Y267 Q268 V270V34-W41 HydrophobicContact CB-CH2 4.42Å; V34-W41 HydrophobicContact CB-CZ2 4.45Å; V34-W41 HydrophobicContact CG1-CD2 4.21Å; V34-W41 HydrophobicContact CG1-CE3 4.35Å; V34-W41 HydrophobicContact CG1-CH2 3.6Å; V34-W41 HydrophobicContact CG1-CZ2 3.42Å; V34-W41 VanDerWaalsContact CG1-CZ2 3.42Å; V34-W41 HydrophobicContact CG1-CZ3 4.06Å; V34-W41 HydrophobicContact CG2-CH2 4.16Å; V34-W41 HydrophobicContact CG2-CZ2 4.18Å; T39-W41 PolarHBondContact O-N 3.14Å; T39-W41 PolarHBondContact OG1-NE1 2.69Å; T39-W41 PolarHBondContact OG1-O 3.2Å; W41-A43 HydrophobicContact CE3-CB 4.37Å; W41-A43 HydrophobicContact CH2-CB 4.15Å; W41-A43 HydrophobicContact CZ3-CB 3.68Å; W41-D258 HydrophobicContact CH2-CB 4.12Å; W41-D258 VanDerWaalsContact CH2-O 3.24Å; W41-D258 WeakPolarHBondContact CH2-O 3.39Å; W41-D258 HydrophobicContact CZ2-CB 4.29Å; W41-Y262 HydrophobicContact CB-CE2 4.42Å; W41-Y262 HydrophobicContact CE3-CD2 4.13Å; W41-S264 VanDerWaalsContact CA-O 3.25Å; W41-S264 WeakPolarHBondContact CA-O 3.09Å; W41-S264 WeakPolarHBondContact CB-O 2.99Å; W41-Y267 HydrophobicContact CD2-CD2 4.02Å; W41-Y267 AromaticContact CE2-CD2 3.7Å; W41-Y267 HydrophobicContact CE3-CD2 4.39Å; W41-Y267 HydrophobicContact CH2-CD2 4.19Å; W41-Y267 HydrophobicContact CH2-CE2 4.15Å; W41-Y267 AromaticContact CZ2-CD2 3.78Å; W41-Y267 HydrophobicContact CZ2-CD2 3.78Å; W41-Y267 AromaticContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ3-CD2 4.47Å; W41-Q268 PolarHBondContact NE1-O 2.87Å; W41-V270 HydrophobicContact CZ2-CG2 4.37Å
42Q98.3Very high93.7Very high97 Ų9764.1 Ų64.145%0.45331%0.314SS..EExtended strand (participates in β ladder)trans-112.1134.9176.3-63.679.522.700110.5K263 S264Q42-K263 PolarHBondContact O-N 2.72Å; Q42-K263 VanDerWaalsContact O-N 3.1Å; Q42-S264 PolarHBondContact N-O 3Å; Q42-S264 PolarHBondContact OE1-O 3.09Å; Q42-S264 PolarHBondContact OE1-OG 2.79Å
43A97.9Very high93.4Very high9 Ų962.5 Ų62.57%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-95.3147.8176.600000111.8V31 V34 N35 W41 L261V31-A43 HydrophobicContact CG1-CB 4.28Å; V34-A43 HydrophobicContact CB-CB 3.89Å; V34-A43 HydrophobicContact CG1-CB 3.8Å; N35-A43 PolarHBondContact ND2-O 3.25Å; N35-A43 PolarHBondContact OD1-N 2.84Å; W41-A43 HydrophobicContact CE3-CB 4.37Å; W41-A43 HydrophobicContact CH2-CB 4.15Å; W41-A43 HydrophobicContact CZ3-CB 3.68Å; A43-L261 CarbonylContact C-O 3.53Å; A43-L261 VanDerWaalsContact CA-O 3.24Å; A43-L261 WeakPolarHBondContact CA-O 3.41Å; A43-L261 HydrophobicContact CB-CB 4.1Å
44G96.9Very high93.2Very high14 Ų1459.6 Ų59.614%0.14430%0.298CS..  trans-166.9162.8169.700000110.7N46 L261 K263G44-N46 PolarHBondContact O-N 3.29Å; G44-L261 PolarHBondContact N-O 3.33Å; G44-L261 CarbonylContact O-C 3.49Å; G44-L261 VanDerWaalsContact O-CA 3.29Å; G44-L261 WeakPolarHBondContact O-CA 3.22Å; G44-K263 WeakPolarHBondContact O-CE 3.47Å
45H95.1Very high93.1Very high31 Ų3159.6 Ų59.614%0.14430%0.298CS..  trans-68.8124.7-176.7-67.4-62000112.4L26 D28 Y48 K263L26-H45 PolarHBondContact O-CE1 2.84Å; D28-H45 IonicContact OD1-CD2 3.94Å; D28-H45 IonicContact OD1-CE1 2.67Å; D28-H45 IonicContact OD1-NE2 3.08Å; D28-H45 PolarHBondContact OD1-NE2 3.45Å; H45-Y48 HydrophobicContact CB-CD1 4.46Å; H45-Y48 HydrophobicContact CB-CE1 3.68Å; H45-Y48 HydrophobicContact CB-CE2 3.82Å; H45-Y48 WeakPolarHBondContact CB-OH 3.41Å; H45-Y48 PolarHBondContact O-OH 3.33Å; H45-K263 WeakPolarHBondContact O-CE 3.44Å; H45-K263 PolarHBondContact O-NZ 2.98Å
46N94.2Very high92.9Very high0 Ų062 Ų620%031%0.306CS..  trans-104.8-17.7167.5-65.4-63.2000113G44 H189 H190 L260 Y262 K263 W304 G305G44-N46 PolarHBondContact O-N 3.29Å; N46-H189 CarbonylContact O-C 3.53Å; N46-H189 PolarHBondContact O-ND1 3.04Å; N46-H190 WeakPolarHBondContact O-CA 3.24Å; N46-L260 PolarHBondContact ND2-O 2.98Å; N46-Y262 PolarHBondContact ND2-O 3.26Å; N46-K263 VanDerWaalsContact OD1-CE 3.28Å; N46-K263 WeakPolarHBondContact OD1-CE 3.25Å; N46-K263 PolarHBondContact OD1-NZ 3.2Å; N46-W304 VanDerWaalsContact CB-CD1 3.43Å; N46-W304 HydrophobicContact CB-CG 4.32Å; N46-G305 PolarHBondContact OD1-N 3.13Å
47F92.4Very high92.8Very high3 Ų355.5 Ų55.51%0.01328%0.277CS..  trans-125.4123.1-173.7-61.6-83.6000109.2L26 V50 Y54 L55 L58 H189 L260 W300 W304L26-F47 HydrophobicContact CD1-CB 3.8Å; L26-F47 HydrophobicContact CD2-CB 3.92Å; L26-F47 HydrophobicContact CD2-CD2 4.38Å; F47-V50 HydrophobicContact CB-CG2 3.75Å; F47-V50 HydrophobicContact CD1-CG1 4.46Å; F47-V50 HydrophobicContact CD1-CG2 4.34Å; F47-V50 HydrophobicContact CG-CG2 4.4Å; F47-Y54 HydrophobicContact CD1-CE1 4.07Å; F47-Y54 AromaticContact CE1-CE1 3.99Å; F47-Y54 HydrophobicContact CE1-CE1 3.99Å; F47-L55 HydrophobicContact CB-CD2 4.22Å; F47-L55 HydrophobicContact CD1-CD2 3.72Å; F47-L55 HydrophobicContact CD2-CD2 4.06Å; F47-L55 HydrophobicContact CE1-CD2 4.1Å; F47-L55 HydrophobicContact CE2-CD2 4.37Å; F47-L55 HydrophobicContact CG-CD2 3.74Å; F47-L55 HydrophobicContact CZ-CD2 4.4Å; F47-L58 HydrophobicContact CE1-CD1 3.68Å; F47-L58 HydrophobicContact CZ-CD1 3.84Å; F47-H189 CarbonylContact C-O 3.38Å; F47-H189 WeakPolarHBondContact CA-O 3.39Å; F47-H189 HydrophobicContact CD1-CB 3.64Å; F47-H189 AromaticContact CD1-CG 3.81Å; F47-H189 AromaticContact CD1-ND1 3.87Å; F47-H189 HydrophobicContact CE1-CB 4.18Å; F47-H189 AromaticContact CE1-CG 3.87Å; F47-H189 AromaticContact CE1-ND1 3.78Å; F47-L260 HydrophobicContact CD2-CB 4.08Å; F47-L260 HydrophobicContact CE2-CB 3.96Å; F47-L260 HydrophobicContact CE2-CD2 4.13Å; F47-L260 WeakPolarHBondContact CE2-O 3.32Å; F47-W300 HydrophobicContact CE2-CE3 4.4Å; F47-W300 HydrophobicContact CE2-CZ3 4.48Å; F47-W300 HydrophobicContact CZ-CD2 4.44Å; F47-W300 AromaticContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CZ3 4.25Å; F47-W304 AromaticContact CE2-CD1 3.56Å; F47-W304 AromaticContact CE2-NE1 3.66Å; F47-W304 AromaticContact CZ-CD1 3.63Å
48Y88.6Confident92.9Very high109 Ų10948.2 Ų48.243%0.42725%0.249SC..  trans-130134.9179.7-59-99.4000108.1H45 V50 H189 H190H45-Y48 HydrophobicContact CB-CD1 4.46Å; H45-Y48 HydrophobicContact CB-CE1 3.68Å; H45-Y48 HydrophobicContact CB-CE2 3.82Å; H45-Y48 WeakPolarHBondContact CB-OH 3.41Å; H45-Y48 PolarHBondContact O-OH 3.33Å; Y48-V50 PolarHBondContact O-N 3.32Å; Y48-V50 VanDerWaalsContact O-N 3.16Å; Y48-H189 PolarHBondContact N-O 2.69Å; Y48-H190 WeakPolarHBondContact CD2-O 3.21Å; Y48-H190 WeakPolarHBondContact CE2-O 3.18Å
49N82.2Confident93.1Very high160 Ų16041.7 Ų41.786%0.85622%0.215SC*.SBendtrans55.928.4178-55-31.3000115
50V85.7Confident93.2Very high22 Ų2240 Ų4013%0.13321%0.206CC..  trans-98.8150.3176-54.80000111.6L26 F47 Y48 Y54 L55 H189 C198L26-V50 HydrophobicContact CD1-CG2 3.78Å; F47-V50 HydrophobicContact CB-CG2 3.75Å; F47-V50 HydrophobicContact CD1-CG1 4.46Å; F47-V50 HydrophobicContact CD1-CG2 4.34Å; F47-V50 HydrophobicContact CG-CG2 4.4Å; Y48-V50 PolarHBondContact O-N 3.32Å; Y48-V50 VanDerWaalsContact O-N 3.16Å; V50-Y54 HydrophobicContact CB-CD1 3.84Å; V50-Y54 HydrophobicContact CB-CE1 4.45Å; V50-Y54 HydrophobicContact CG1-CD1 4.09Å; V50-Y54 HydrophobicContact CG1-CE1 4.22Å; V50-Y54 HydrophobicContact CG2-CD1 4.21Å; V50-L55 HydrophobicContact CG2-CD1 4.23Å; V50-L55 HydrophobicContact CG2-CD2 3.77Å; V50-L55 HydrophobicContact CG2-CG 3.95Å; V50-H189 HydrophobicContact CG1-CB 3.63Å; V50-C198 HydrophobicContact CB-CB 4.47Å; V50-C198 HydrophobicContact CG1-CB 3.95Å
51D84Confident93.2Very high88 Ų8838.4 Ų38.447%0.47120%0.196SC..  trans-78.3150.5175.6-169.4-96.6000112.2S53 Y54 L55D51-S53 PolarHBondContact O-N 2.86Å; D51-S53 WeakPolarHBondContact OD1-CA 3.43Å; D51-S53 WeakPolarHBondContact OD1-CB 3.31Å; D51-S53 PolarHBondContact OD1-N 3.37Å; D51-S53 PolarHBondContact OD1-OG 2.76Å; D51-Y54 WeakPolarHBondContact O-CB 3.25Å; D51-Y54 PolarHBondContact O-N 3.49Å; D51-Y54 VanDerWaalsContact O-N 3.08Å; D51-L55 PolarHBondContact O-N 2.98Å
52M87.7Confident93.2Very high48 Ų4842.1 Ų42.124%0.23621%0.213CC..Hα-helixtrans-62.9-32177.1-166.357.557.200112.5P25 Y54 L55 K56 M275P25-M52 HydrophobicContact CB-CE 3.86Å; P25-M52 HydrophobicContact CB-SD 4.32Å; P25-M52 HydrophobicContact CG-CE 3.55Å; P25-M52 HydrophobicContact CG-SD 3.96Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 2.86Å; M52-L55 HydrophobicContact CE-CD1 4.12Å; M52-L55 PolarHBondContact O-N 2.92Å; M52-L55 HydrophobicContact SD-CB 4.42Å; M52-L55 HydrophobicContact SD-CD1 3.87Å; M52-K56 PolarHBondContact O-N 3.18Å; M52-M275 HydrophobicContact SD-CE 3.66Å
53S89.6Confident93.1Very high51 Ų5140.7 Ų40.736%0.35721%0.208SC..Hα-helixtrans-62.3-35.817464.80000111.9D51 R57 G200D51-S53 PolarHBondContact O-N 2.86Å; D51-S53 WeakPolarHBondContact OD1-CA 3.43Å; D51-S53 WeakPolarHBondContact OD1-CB 3.31Å; D51-S53 PolarHBondContact OD1-N 3.37Å; D51-S53 PolarHBondContact OD1-OG 2.76Å; S53-R57 VanDerWaalsContact O-CB 3.23Å; S53-R57 WeakPolarHBondContact O-CB 3.28Å; S53-R57 PolarHBondContact O-N 2.98Å; S53-G200 WeakPolarHBondContact OG-CA 3.44Å
54Y92.2Very high92.9Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-63.3-49.6173.5170.5-107.9000111F47 V50 D51 M52 K56 R57 L58 S104 C187 H189 C198 T199F47-Y54 HydrophobicContact CD1-CE1 4.07Å; F47-Y54 AromaticContact CE1-CE1 3.99Å; F47-Y54 HydrophobicContact CE1-CE1 3.99Å; V50-Y54 HydrophobicContact CB-CD1 3.84Å; V50-Y54 HydrophobicContact CB-CE1 4.45Å; V50-Y54 HydrophobicContact CG1-CD1 4.09Å; V50-Y54 HydrophobicContact CG1-CE1 4.22Å; V50-Y54 HydrophobicContact CG2-CD1 4.21Å; D51-Y54 WeakPolarHBondContact O-CB 3.25Å; D51-Y54 PolarHBondContact O-N 3.49Å; D51-Y54 VanDerWaalsContact O-N 3.08Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 2.86Å; Y54-K56 VanDerWaalsContact C-N 3.29Å; Y54-K56 PolarHBondContact O-N 2.8Å; Y54-R57 CarbonylContact O-C 3.58Å; Y54-R57 WeakPolarHBondContact O-CA 3.37Å; Y54-R57 WeakPolarHBondContact O-CB 3.49Å; Y54-R57 PolarHBondContact O-N 3.46Å; Y54-L58 HydrophobicContact CD1-CD1 4.34Å; Y54-L58 HydrophobicContact CE1-CD1 3.71Å; Y54-L58 HydrophobicContact CE1-CD2 4.47Å; Y54-L58 HydrophobicContact CE1-CG 4.14Å; Y54-L58 HydrophobicContact CE2-CD2 3.83Å; Y54-L58 HydrophobicContact CE2-CG 4.1Å; Y54-L58 PolarHBondContact O-N 2.95Å; Y54-S104 WeakPolarHBondContact CD2-OG 3.33Å; Y54-C187 WeakPolarHBondContact CE2-SG 3.47Å; Y54-C187 PolarHBondContact OH-SG 2.78Å; Y54-H189 HydrophobicContact CE1-CB 4.42Å; Y54-H189 PolarHBondContact OH-CD2 3.49Å; Y54-C198 HydrophobicContact CD1-CB 3.73Å; Y54-C198 HydrophobicContact CD2-CB 3.8Å; Y54-C198 HydrophobicContact CE1-CB 3.71Å; Y54-C198 HydrophobicContact CE2-CB 3.8Å; Y54-C198 HydrophobicContact CG-CB 3.76Å; Y54-C198 VanDerWaalsContact CZ-SG 3.55Å; Y54-T199 WeakPolarHBondContact CD2-O 3.44Å
55L94Very high92.7Very high0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-59.8-38.7179.6-61.4174.7000112.5L26 F47 V50 D51 M52 L260 M275L26-L55 HydrophobicContact CD1-CD1 3.83Å; L26-L55 HydrophobicContact CD2-CD1 4.26Å; L26-L55 HydrophobicContact CG-CD1 4Å; F47-L55 HydrophobicContact CB-CD2 4.22Å; F47-L55 HydrophobicContact CD1-CD2 3.72Å; F47-L55 HydrophobicContact CD2-CD2 4.06Å; F47-L55 HydrophobicContact CE1-CD2 4.1Å; F47-L55 HydrophobicContact CE2-CD2 4.37Å; F47-L55 HydrophobicContact CG-CD2 3.74Å; F47-L55 HydrophobicContact CZ-CD2 4.4Å; V50-L55 HydrophobicContact CG2-CD1 4.23Å; V50-L55 HydrophobicContact CG2-CD2 3.77Å; V50-L55 HydrophobicContact CG2-CG 3.95Å; D51-L55 PolarHBondContact O-N 2.98Å; M52-L55 HydrophobicContact CE-CD1 4.12Å; M52-L55 PolarHBondContact O-N 2.92Å; M52-L55 HydrophobicContact SD-CB 4.42Å; M52-L55 HydrophobicContact SD-CD1 3.87Å; L55-L260 HydrophobicContact CB-CD1 4.27Å; L55-L260 HydrophobicContact CD1-CD1 4.04Å; L55-L260 HydrophobicContact CD2-CD1 4.19Å; L55-L260 HydrophobicContact CG-CD1 4.4Å; L55-M275 HydrophobicContact CB-CE 3.96Å
56K93.8Very high92.7Very high108 Ų10845 Ų4547%0.4725%0.25SC..Hα-helixtrans-68.9-40.4173.7-72.2-174.1176.5-174.90111.9M52 Y54 L58 C59 M275M52-K56 PolarHBondContact O-N 3.18Å; Y54-K56 VanDerWaalsContact C-N 3.29Å; Y54-K56 PolarHBondContact O-N 2.8Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.17Å; K56-C59 WeakPolarHBondContact O-CB 2.94Å; K56-C59 PolarHBondContact O-N 3Å; K56-M275 HydrophobicContact CG-CE 3.83Å
57R95.1Very high92.6Very high38 Ų3851.9 Ų51.914%0.14328%0.28CS..Hα-helixtrans-65.4-29.8178.3-169.7165-167.583.42.4112.5S53 Y54 C59 S104 G106 C150 N151 G200 G202S53-R57 VanDerWaalsContact O-CB 3.23Å; S53-R57 WeakPolarHBondContact O-CB 3.28Å; S53-R57 PolarHBondContact O-N 2.98Å; Y54-R57 CarbonylContact O-C 3.58Å; Y54-R57 WeakPolarHBondContact O-CA 3.37Å; Y54-R57 WeakPolarHBondContact O-CB 3.49Å; Y54-R57 PolarHBondContact O-N 3.46Å; R57-C59 PolarHBondContact O-N 3.34Å; R57-S104 WeakPolarHBondContact CD-O 3.24Å; R57-S104 PolarHBondContact NE-O 2.94Å; R57-G106 WeakPolarHBondContact O-CA 3.38Å; R57-G106 PolarHBondContact O-N 2.77Å; R57-C150 VanDerWaalsContact CZ-O 3.26Å; R57-C150 PolarHBondContact NH2-O 2.98Å; R57-N151 PolarHBondContact NH1-OD1 3.48Å; R57-N151 PolarHBondContact NH2-OD1 2.96Å; R57-G200 WeakPolarHBondContact CD-O 3.33Å; R57-G202 PolarHBondContact NH2-O 3.21Å
58L96.2Very high92.7Very high0 Ų052.3 Ų52.30%028%0.283CS..Hα-helixtrans-58.2-33171.2-72.1-177.8000112.4F47 Y54 K56 G60 Q102 H278 W300F47-L58 HydrophobicContact CE1-CD1 3.68Å; F47-L58 HydrophobicContact CZ-CD1 3.84Å; Y54-L58 HydrophobicContact CD1-CD1 4.34Å; Y54-L58 HydrophobicContact CE1-CD1 3.71Å; Y54-L58 HydrophobicContact CE1-CD2 4.47Å; Y54-L58 HydrophobicContact CE1-CG 4.14Å; Y54-L58 HydrophobicContact CE2-CD2 3.83Å; Y54-L58 HydrophobicContact CE2-CG 4.1Å; Y54-L58 PolarHBondContact O-N 2.95Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.17Å; L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.77Å; L58-G60 VanDerWaalsContact O-N 3.13Å; L58-Q102 HydrophobicContact CD2-CG 3.99Å; L58-Q102 PolarHBondContact O-NE2 2.79Å; L58-H278 PolarHBondContact O-ND1 3.1Å; L58-W300 HydrophobicContact CB-CZ2 3.95Å; L58-W300 HydrophobicContact CD1-CD2 4.06Å; L58-W300 HydrophobicContact CD1-CG 4.28Å; L58-W300 HydrophobicContact CD1-CZ2 4.47Å; L58-W300 HydrophobicContact CD2-CG 4.44Å
59C97.6Very high92.9Very high13 Ų1351.9 Ų51.99%0.08829%0.294CS..  trans-87.264.8178.8-53.70000111.4K56 R57 T61 G277K56-C59 WeakPolarHBondContact O-CB 2.94Å; K56-C59 PolarHBondContact O-N 3Å; R57-C59 PolarHBondContact O-N 3.34Å; C59-T61 PolarHBondContact O-N 2.95Å; C59-G277 CarbonylContact C-O 3.56Å; C59-G277 WeakPolarHBondContact CA-O 2.99Å; C59-G277 VanDerWaalsContact O-O 3.05Å
60G98Very high93.4Very high6 Ų650.4 Ų50.46%0.06228%0.282CS..BIsolated β-bridgetrans-87.725.6-172.500000116.3L58 C108 G152 G153 G277L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.77Å; L58-G60 VanDerWaalsContact O-N 3.13Å; G60-C108 VanDerWaalsContact CA-SG 3.5Å; G60-C108 PolarHBondContact N-SG 3.03Å; G60-G152 CarbonylContact O-C 3.46Å; G60-G152 WeakPolarHBondContact O-CA 3.03Å; G60-G153 PolarHBondContact O-N 2.03Å; G60-G277 PolarHBondContact N-O 2.84Å
61T98.7Very high93.6Very high6 Ų652.9 Ų52.94%0.03729%0.288CS..BIsolated β-bridgetrans-113.5129.9-178.7-65.80000111.8C59 L63 C108 P155 A252 G277 A279C59-T61 PolarHBondContact O-N 2.95Å; T61-L63 HydrophobicContact CG2-CD2 4.16Å; T61-L63 PolarHBondContact O-N 3.42Å; T61-C108 PolarHBondContact OG1-SG 3.32Å; T61-P155 HydrophobicContact CG2-CG 3.7Å; T61-A252 HydrophobicContact CG2-CB 3.99Å; T61-G277 PolarHBondContact N-O 3.42Å; T61-G277 CarbonylContact O-C 3.6Å; T61-G277 WeakPolarHBondContact O-CA 3.07Å; T61-A279 HydrophobicContact CG2-CB 4.24Å; T61-A279 WeakPolarHBondContact OG1-CB 3.34Å; T61-A279 PolarHBondContact OG1-N 3.19Å
62F98.4Very high93.6Very high82 Ų8253.8 Ų53.836%0.3630%0.297SS..  trans-85.6103.7170.2-57.9-44.1000110.2N151 G152 G153 Y154F62-N151 WeakPolarHBondContact CZ-O 2.99Å; F62-G152 VanDerWaalsContact CE2-C 3.46Å; F62-G152 WeakPolarHBondContact CE2-O 2.95Å; F62-G153 PolarHBondContact N-O 3.15Å; F62-Y154 HydrophobicContact CB-CD1 3.74Å; F62-Y154 HydrophobicContact CB-CE1 3.35Å; F62-Y154 HydrophobicContact CD2-CD1 4.32Å; F62-Y154 AromaticContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE2 4.06Å; F62-Y154 AromaticContact CD2-CZ 3.68Å; F62-Y154 HydrophobicContact CG-CE1 4.04Å
63L96.9Very high93.3Very high66 Ų6652.8 Ų52.835%0.34629%0.292SS..THydrogen-bonded Turntrans-67.2150.5174.6-57.1179.5000111.2T61 G65 A252 S254 E324T61-L63 HydrophobicContact CG2-CD2 4.16Å; T61-L63 PolarHBondContact O-N 3.42Å; L63-G65 VanDerWaalsContact C-N 3.33Å; L63-A252 HydrophobicContact CD2-CB 3.6Å; L63-S254 WeakPolarHBondContact CD1-OG 3.43Å; L63-E324 VanDerWaalsContact CA-OE1 3.3Å; L63-E324 WeakPolarHBondContact CA-OE1 3.28Å; L63-E324 WeakPolarHBondContact CB-OE1 3.17Å
64G94.8Very high92.8Very high61 Ų6158.5 Ų58.563%0.62931%0.311SS*.THydrogen-bonded Turntrans73.721.3178.800000114.4E324G64-E324 PolarHBondContact N-OE1 2.75Å
65G92.7Very high92.2Very high21 Ų2159.4 Ų59.422%0.21632%0.316CS..  trans-70.4-165.7177.200000114.7L63L63-G65 VanDerWaalsContact C-N 3.33Å
66P94.4Very high91.4Very high62 Ų6267.9 Ų67.940%0.40336%0.356SS..  trans-51.8143.1172.6-23.633.7000111.3A156 E157P66-A156 HydrophobicContact CB-CB 4.43Å; P66-A156 WeakPolarHBondContact O-CB 3.43Å; P66-E157 HydrophobicContact CB-CG 4.35Å; P66-E157 HydrophobicContact CG-CG 4.04Å
67K92.7Very high90.8Very high146 Ų14670.2 Ų70.264%0.63537%0.373SS*.  trans-115.1121.1175-64.3-167179.4-1630109.7
68P92.9Very high90.5Very high12 Ų1270.6 Ų70.68%0.07838%0.378CS..PPolyproline II helixtrans-61.5162.3170.8-21.734.1000110.7Q70 A156 S231 V326P68-Q70 PolarHBondContact O-N 3.02Å; P68-A156 HydrophobicContact CG-CB 3.8Å; P68-S231 WeakPolarHBondContact CD-OG 3.45Å; P68-S231 PolarHBondContact O-OG 2.81Å; P68-V326 HydrophobicContact CG-CG1 4.22Å
69P94.4Very high90.4Very high100 Ų10080.2 Ų80.265%0.64942%0.42SS*.PPolyproline II helixtrans-50.6139.5175.3-24.734.2000111.4Y230 S231P69-Y230 CarbonylContact O-C 3.45Å; P69-Y230 WeakPolarHBondContact O-CA 3.14Å; P69-Y230 WeakPolarHBondContact O-CB 3.37Å; P69-S231 PolarHBondContact O-N 2.89Å
70Q91.9Very high90.3Very high129 Ų12981.3 Ų81.360%0.60343%0.425SS*.BIsolated β-bridgetrans-74.6131.1179.2-166.7178.2-63.700110.4P68 V72 S231P68-Q70 PolarHBondContact O-N 3.02Å; Q70-V72 PolarHBondContact O-N 3.47Å; Q70-S231 CarbonylContact C-O 3.49Å; Q70-S231 WeakPolarHBondContact CA-O 3.3Å
71R90.5Very high90.3Very high73 Ų7383.2 Ų83.228%0.27544%0.436SS..PPolyproline II helixtrans-75.3122.7171.6-174.2172.9-169.9-178.611.4109.3M73 Y230 S231 E242 N246R71-M73 HydrophobicContact CG-SD 4.32Å; R71-M73 PolarHBondContact O-N 3.03Å; R71-Y230 HydrophobicContact CB-CD2 3.48Å; R71-Y230 VanDerWaalsContact CB-CD2 3.48Å; R71-Y230 HydrophobicContact CB-CE2 4.08Å; R71-Y230 HydrophobicContact CB-CG 3.81Å; R71-Y230 HydrophobicContact CG-CD2 4.2Å; R71-Y230 HydrophobicContact CG-CE2 4.36Å; R71-Y230 HydrophobicContact CG-CG 4.49Å; R71-Y230 PolarHBondContact NH1-OH 3.46Å; R71-S231 PolarHBondContact N-O 2.91Å; R71-E242 IonicContact CZ-OE2 3.07Å; R71-E242 IonicContact NE-OE2 3.58Å; R71-E242 IonicContact NH1-OE1 3.97Å; R71-E242 PolarHBondContact NH1-OE1 2.85Å; R71-E242 IonicContact NH1-OE2 3.37Å; R71-E242 PolarHBondContact NH1-OE2 3.05Å; R71-N246 PolarHBondContact NH1-ND2 3.25Å
72V82.9Confident90.2Very high108 Ų10886.8 Ų86.866%0.65547%0.466SS*.PPolyproline II helixtrans-70.9118.6171-178.80000108.3Q70 F74Q70-V72 PolarHBondContact O-N 3.47Å; V72-F74 HydrophobicContact CG1-CE2 4.38Å; V72-F74 HydrophobicContact CG1-CZ 4.18Å
73M81.6Confident90.2Very high26 Ų2686 Ų8613%0.12847%0.471CS..PPolyproline II helixtrans-102.2123.4-179.8-73-66.2-77.800110.3R71 T75 D238 A241 E242R71-M73 HydrophobicContact CG-SD 4.32Å; R71-M73 PolarHBondContact O-N 3.03Å; M73-T75 HydrophobicContact CB-CG2 3.99Å; M73-T75 PolarHBondContact O-N 2.86Å; M73-D238 HydrophobicContact CB-CB 4.15Å; M73-D238 HydrophobicContact CG-CB 4.2Å; M73-A241 VanDerWaalsContact CE-C 3.44Å; M73-A241 HydrophobicContact CE-CB 3.43Å; M73-A241 VanDerWaalsContact CE-CB 3.43Å; M73-E242 HydrophobicContact CE-CB 3.96Å
74F79.4Confident90.3Very high172 Ų17283.7 Ų83.775%0.75446%0.458SS*.  trans-90.899.6171-60-81.4000108.7V72 K245V72-F74 HydrophobicContact CG1-CE2 4.38Å; V72-F74 HydrophobicContact CG1-CZ 4.18Å; F74-K245 PolarHBondContact O-NZ 3.43Å; F74-K245 VanDerWaalsContact O-NZ 3.15Å
75T79.9Confident90.5Very high18 Ų1881.8 Ų81.811%0.1143%0.434CS..  trans-117.4-2.1-174.460.40000114.6M73 D77 L78 K237 D238 A241M73-T75 HydrophobicContact CB-CG2 3.99Å; M73-T75 PolarHBondContact O-N 2.86Å; T75-D77 PolarHBondContact O-N 3.14Å; T75-L78 PolarHBondContact O-N 3.39Å; T75-K237 WeakPolarHBondContact O-CE 3.42Å; T75-K237 PolarHBondContact O-NZ 2.71Å; T75-D238 WeakPolarHBondContact CG2-OD1 3.5Å; T75-D238 PolarHBondContact OG1-OD1 2.98Å; T75-A241 HydrophobicContact CG2-CB 3.51Å
76E76.5Confident90.8Very high178 Ų17880.8 Ų80.883%0.83242%0.423SS*.THydrogen-bonded Turntrans-56.4-46.6-175.6-70.1-172.2162.300112.6
77D81.5Confident91Very high157 Ų15780.9 Ų80.984%0.8442%0.416SS*.THydrogen-bonded Turntrans-95.2-0.9-177.7-61.2-44.3000114.7T75 K79T75-D77 PolarHBondContact O-N 3.14Å; D77-K79 PolarHBondContact O-N 2.92Å
78L88.6Confident91.3Very high46 Ų4681.3 Ų81.324%0.24142%0.42CS..  trans-80.3107.8-173.7-158.782.2000110.7T75 L80 A241 K245T75-L78 PolarHBondContact O-N 3.39Å; L78-L80 HydrophobicContact CD2-CD1 4.24Å; L78-L80 HydrophobicContact CD2-CD2 3.53Å; L78-L80 HydrophobicContact CD2-CG 3.8Å; L78-L80 HydrophobicContact CG-CD2 4.23Å; L78-L80 HydrophobicContact CG-CG 4.28Å; L78-L80 PolarHBondContact O-N 2.83Å; L78-A241 HydrophobicContact CD2-CB 3.58Å; L78-K245 VanDerWaalsContact CD1-CE 3.49Å
79K93.6Very high91.6Very high202 Ų20285.3 Ų85.388%0.87844%0.438SS*.  trans-80.593.6171.3-66.5-176.3-177.2178.40110.2D77D77-K79 PolarHBondContact O-N 2.92Å
80L96Very high91.8Very high37 Ų3782 Ų8219%0.19441%0.412CS..  trans-79.7144.2176.4-69.3167.1000111.4L78 K237 M240 A241 Y244 W285L78-L80 HydrophobicContact CD2-CD1 4.24Å; L78-L80 HydrophobicContact CD2-CD2 3.53Å; L78-L80 HydrophobicContact CD2-CG 3.8Å; L78-L80 HydrophobicContact CG-CD2 4.23Å; L78-L80 HydrophobicContact CG-CG 4.28Å; L78-L80 PolarHBondContact O-N 2.83Å; L80-K237 HydrophobicContact CD1-CG 4.33Å; L80-M240 HydrophobicContact CB-CE 4.2Å; L80-M240 HydrophobicContact CD1-CB 3.64Å; L80-M240 HydrophobicContact CD1-CE 4.27Å; L80-A241 HydrophobicContact CD1-CB 4.25Å; L80-Y244 HydrophobicContact CD2-CD1 3.98Å; L80-Y244 HydrophobicContact CD2-CD2 4.08Å; L80-Y244 HydrophobicContact CD2-CG 3.6Å; L80-W285 HydrophobicContact CD2-CH2 4.44Å; L80-W285 HydrophobicContact CD2-CZ2 4.37Å
81P97.7Very high92.1Very high46 Ų4679.4 Ų79.430%0.29941%0.407SS..  trans-68.9154.2175.731.5-37.6000111.4S83 F84 Y244 W285P81-S83 WeakPolarHBondContact CB-O 3.29Å; P81-S83 WeakPolarHBondContact CG-O 3.44Å; P81-S83 PolarHBondContact O-N 2.91Å; P81-F84 HydrophobicContact CG-CB 4.15Å; P81-F84 HydrophobicContact CG-CD2 4.25Å; P81-Y244 HydrophobicContact CG-CD2 4.35Å; P81-Y244 HydrophobicContact CG-CE2 4.12Å; P81-W285 HydrophobicContact CG-CZ2 3.98Å; P81-W285 PolarHBondContact O-NE1 3.43Å
82A97.3Very high92.5Very high80 Ų8080.6 Ų80.666%0.66142%0.415SS*.SBendtrans-65.7-23.8177.200000113.1
83S98.7Very high93.2Very high67 Ų6775.5 Ų75.547%0.46938%0.384SS..SBendtrans-143.8147.7173.8-58.50000109.3P81 W285 G286P81-S83 WeakPolarHBondContact CB-O 3.29Å; P81-S83 WeakPolarHBondContact CG-O 3.44Å; P81-S83 PolarHBondContact O-N 2.91Å; S83-W285 CarbonylContact C-O 3.51Å; S83-W285 VanDerWaalsContact CA-O 3.28Å; S83-W285 WeakPolarHBondContact CA-O 3.2Å; S83-G286 VanDerWaalsContact OG-CA 3.31Å; S83-G286 WeakPolarHBondContact OG-CA 3.32Å
84F98.9Very high94Very high16 Ų1677.9 Ų77.97%0.0740%0.402CS..EExtended strand (participates in β ladder)trans-151.8137.8-176.7179.7-91.8000109.5P81 A86 Q89 W90 I243 Y244 G284 W285P81-F84 HydrophobicContact CG-CB 4.15Å; P81-F84 HydrophobicContact CG-CD2 4.25Å; F84-A86 HydrophobicContact CE1-CB 4.1Å; F84-Q89 HydrophobicContact CE2-CB 3.74Å; F84-Q89 HydrophobicContact CE2-CG 3.75Å; F84-Q89 HydrophobicContact CZ-CB 3.68Å; F84-Q89 HydrophobicContact CZ-CG 3.79Å; F84-W90 HydrophobicContact CE1-CH2 4.38Å; F84-W90 AromaticContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CZ-CE3 4.48Å; F84-W90 AromaticContact CZ-CH2 3.68Å; F84-W90 HydrophobicContact CZ-CH2 3.68Å; F84-W90 AromaticContact CZ-CZ3 3.56Å; F84-W90 HydrophobicContact CZ-CZ3 3.56Å; F84-I243 HydrophobicContact CD1-CG2 4.08Å; F84-I243 HydrophobicContact CE1-CG2 3.73Å; F84-Y244 AromaticContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CE2 4.1Å; F84-Y244 AromaticContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CE2 4.01Å; F84-Y244 HydrophobicContact CZ-CD2 4.41Å; F84-G284 CarbonylContact O-C 3.52Å; F84-G284 WeakPolarHBondContact O-CA 2.95Å; F84-W285 HydrophobicContact CB-CD2 3.71Å; F84-W285 HydrophobicContact CB-CE3 3.86Å; F84-W285 HydrophobicContact CB-CG 4.48Å; F84-W285 HydrophobicContact CB-CH2 3.42Å; F84-W285 VanDerWaalsContact CB-CH2 3.42Å; F84-W285 HydrophobicContact CB-CZ2 3.29Å; F84-W285 HydrophobicContact CB-CZ3 3.71Å; F84-W285 HydrophobicContact CD1-CE3 4.06Å; F84-W285 AromaticContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CZ2 4.46Å; F84-W285 AromaticContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD1-CZ3 3.46Å; F84-W285 VanDerWaalsContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD2-CH2 4.07Å; F84-W285 HydrophobicContact CD2-CZ2 4.42Å; F84-W285 HydrophobicContact CE1-CH2 4.48Å; F84-W285 HydrophobicContact CE1-CZ3 4.26Å; F84-W285 HydrophobicContact CG-CE3 4.28Å; F84-W285 AromaticContact CG-CH2 3.45Å; F84-W285 HydrophobicContact CG-CH2 3.45Å; F84-W285 VanDerWaalsContact CG-CH2 3.45Å; F84-W285 AromaticContact CG-CZ2 3.84Å; F84-W285 HydrophobicContact CG-CZ2 3.84Å; F84-W285 AromaticContact CG-CZ3 3.7Å; F84-W285 HydrophobicContact CG-CZ3 3.7Å; F84-W285 PolarHBondContact N-O 3.37Å; F84-W285 PolarHBondContact O-N 3.31Å
85D98.9Very high94.9Very high22 Ų2270.1 Ų70.112%0.11837%0.369CS..EExtended strand (participates in β ladder)trans-133.6117.6172.8-170.4-32.4000108.7R87 E88 Q89 L295D85-R87 PolarHBondContact O-N 2.56Å; D85-R87 VanDerWaalsContact O-N 3.14Å; D85-R87 WeakPolarHBondContact OD1-CB 3.21Å; D85-R87 VanDerWaalsContact OD1-CG 3.31Å; D85-R87 WeakPolarHBondContact OD1-CG 3.46Å; D85-R87 IonicContact OD1-CZ 3.74Å; D85-R87 PolarHBondContact OD1-N 2.74Å; D85-R87 IonicContact OD1-NE 3.56Å; D85-R87 PolarHBondContact OD1-NE 3.21Å; D85-R87 IonicContact OD1-NH2 3.64Å; D85-R87 IonicContact OD2-CZ 2.89Å; D85-R87 VanDerWaalsContact OD2-CZ 3.27Å; D85-R87 IonicContact OD2-NE 2.83Å; D85-R87 PolarHBondContact OD2-NE 3.07Å; D85-R87 VanDerWaalsContact OD2-NE 3.08Å; D85-R87 IonicContact OD2-NH2 3.31Å; D85-R87 PolarHBondContact OD2-NH2 2.87Å; D85-E88 HydrophobicContact CB-CB 4.32Å; D85-E88 HydrophobicContact CB-CG 4.04Å; D85-E88 PolarHBondContact O-N 3.22Å; D85-Q89 PolarHBondContact O-N 2.83Å; D85-L295 HydrophobicContact CB-CD2 4.34Å; D85-L295 WeakPolarHBondContact OD2-CD2 3.18Å
86A98.9Very high95.8Very high0 Ų069.3 Ų69.30%036%0.363CS..Hα-helixtrans-58-27.4179.300000112.8F84 E88 Q89 W90 I96 P248 L283F84-A86 HydrophobicContact CE1-CB 4.1Å; A86-E88 VanDerWaalsContact C-N 3.29Å; A86-E88 PolarHBondContact O-N 3.29Å; A86-Q89 PolarHBondContact O-N 2.84Å; A86-W90 HydrophobicContact CB-CE3 3.74Å; A86-W90 HydrophobicContact CB-CZ3 3.65Å; A86-W90 PolarHBondContact O-N 3.33Å; A86-I96 HydrophobicContact CB-CD1 4.48Å; A86-I96 HydrophobicContact CB-CG2 3.7Å; A86-P248 HydrophobicContact CB-CG 3.89Å; A86-L283 HydrophobicContact CB-CB 4.15Å; A86-L283 WeakPolarHBondContact CB-O 3.4Å; A86-L283 PolarHBondContact N-O 2.89Å
87R98.8Very high96.9Very high64 Ų6465.9 Ų65.924%0.24235%0.346CS..Hα-helixtrans-69.3-30.1178.6-57.2170.7-64.2179.26.6111.8D85 P91 I96 K97 L283 F309D85-R87 PolarHBondContact O-N 2.56Å; D85-R87 VanDerWaalsContact O-N 3.14Å; D85-R87 WeakPolarHBondContact OD1-CB 3.21Å; D85-R87 VanDerWaalsContact OD1-CG 3.31Å; D85-R87 WeakPolarHBondContact OD1-CG 3.46Å; D85-R87 IonicContact OD1-CZ 3.74Å; D85-R87 PolarHBondContact OD1-N 2.74Å; D85-R87 IonicContact OD1-NE 3.56Å; D85-R87 PolarHBondContact OD1-NE 3.21Å; D85-R87 IonicContact OD1-NH2 3.64Å; D85-R87 IonicContact OD2-CZ 2.89Å; D85-R87 VanDerWaalsContact OD2-CZ 3.27Å; D85-R87 IonicContact OD2-NE 2.83Å; D85-R87 PolarHBondContact OD2-NE 3.07Å; D85-R87 VanDerWaalsContact OD2-NE 3.08Å; D85-R87 IonicContact OD2-NH2 3.31Å; D85-R87 PolarHBondContact OD2-NH2 2.87Å; R87-P91 WeakPolarHBondContact O-CA 3.31Å; R87-I96 HydrophobicContact CB-CG2 4.44Å; R87-I96 HydrophobicContact CG-CB 4.28Å; R87-I96 HydrophobicContact CG-CG2 3.61Å; R87-K97 HydrophobicContact CB-CG 4.01Å; R87-K97 HydrophobicContact CG-CG 3.82Å; R87-L283 HydrophobicContact CG-CD1 3.82Å; R87-F309 VanDerWaalsContact NH1-CZ 3.33Å
88E98.7Very high97.7Very high155 Ų15560.2 Ų60.272%0.72432%0.315SS*.Hα-helixtrans-84.6-35.5175.5-63.4-175.8-176.400111.6D85 A86 P91D85-E88 HydrophobicContact CB-CB 4.32Å; D85-E88 HydrophobicContact CB-CG 4.04Å; D85-E88 PolarHBondContact O-N 3.22Å; A86-E88 VanDerWaalsContact C-N 3.29Å; A86-E88 PolarHBondContact O-N 3.29Å; E88-P91 WeakPolarHBondContact O-CD 3.24Å
89Q98.6Very high98.2Very high96 Ų9658.8 Ų58.845%0.44931%0.307SS..Hα-helixtrans-70.5-39179.3-178.662.534.700112.7F84 D85 A86 P91F84-Q89 HydrophobicContact CE2-CB 3.74Å; F84-Q89 HydrophobicContact CE2-CG 3.75Å; F84-Q89 HydrophobicContact CZ-CB 3.68Å; F84-Q89 HydrophobicContact CZ-CG 3.79Å; D85-Q89 PolarHBondContact O-N 2.83Å; A86-Q89 PolarHBondContact O-N 2.84Å; Q89-P91 VanDerWaalsContact C-CD 3.42Å; Q89-P91 WeakPolarHBondContact O-CD 3.37Å
90W98.7Very high98.4Very high29 Ų2949.4 Ų49.411%0.1127%0.266CS..  trans-124.165.2-179.5-59.2-76.7000111F84 A86 Q92 C93 I96 I123 I243F84-W90 HydrophobicContact CE1-CH2 4.38Å; F84-W90 AromaticContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CE1-CZ3 4Å; F84-W90 HydrophobicContact CZ-CE3 4.48Å; F84-W90 AromaticContact CZ-CH2 3.68Å; F84-W90 HydrophobicContact CZ-CH2 3.68Å; F84-W90 AromaticContact CZ-CZ3 3.56Å; F84-W90 HydrophobicContact CZ-CZ3 3.56Å; A86-W90 HydrophobicContact CB-CE3 3.74Å; A86-W90 HydrophobicContact CB-CZ3 3.65Å; A86-W90 PolarHBondContact O-N 3.33Å; W90-Q92 PolarHBondContact O-N 2.99Å; W90-Q92 VanDerWaalsContact O-N 3.1Å; W90-C93 HydrophobicContact CB-CB 4.26Å; W90-C93 PolarHBondContact O-N 3.15Å; W90-I96 HydrophobicContact CB-CD1 3.67Å; W90-I96 HydrophobicContact CE3-CD1 4.16Å; W90-I96 HydrophobicContact CG-CD1 4.45Å; W90-I123 HydrophobicContact CB-CG1 4.25Å; W90-I123 HydrophobicContact CD2-CD1 3.62Å; W90-I123 HydrophobicContact CD2-CG1 3.77Å; W90-I123 HydrophobicContact CD2-CG2 4.43Å; W90-I123 HydrophobicContact CE3-CD1 3.58Å; W90-I123 HydrophobicContact CE3-CG1 4.24Å; W90-I123 HydrophobicContact CG-CD1 4.13Å; W90-I123 HydrophobicContact CG-CG1 3.76Å; W90-I123 HydrophobicContact CH2-CD1 4.32Å; W90-I123 HydrophobicContact CZ2-CD1 4.35Å; W90-I123 HydrophobicContact CZ2-CG2 4.12Å; W90-I123 HydrophobicContact CZ3-CD1 3.95Å; W90-I243 WeakPolarHBondContact CH2-O 3.21Å
91P98.4Very high98.5Very high76 Ų7648.3 Ų48.349%0.49426%0.26SS..THydrogen-bonded Turntrans-62-23.3-174.626.6-36.5000113.6R87 E88 Q89 C93 K97R87-P91 WeakPolarHBondContact O-CA 3.31Å; E88-P91 WeakPolarHBondContact O-CD 3.24Å; Q89-P91 VanDerWaalsContact C-CD 3.42Å; Q89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-C93 VanDerWaalsContact C-N 3.28Å; P91-K97 PolarHBondContact O-NZ 3.22Å
92Q98.4Very high98.5Very high97 Ų9746.1 Ų46.145%0.45325%0.246SC..THydrogen-bonded Turntrans-77.4-6.7177.270.9-8424.600114.3W90 P94 A127W90-Q92 PolarHBondContact O-N 2.99Å; W90-Q92 VanDerWaalsContact O-N 3.1Å; Q92-P94 VanDerWaalsContact O-CD 3.23Å; Q92-P94 WeakPolarHBondContact O-CD 3.27Å; Q92-A127 HydrophobicContact CB-CB 4.14Å; Q92-A127 HydrophobicContact CG-CB 3.26Å
93C98.7Very high98.4Very high1 Ų142.3 Ų42.31%0.00721%0.214CC..  trans-10393.8176.4-68.60000110.4W90 P91 T95 I96 C122W90-C93 HydrophobicContact CB-CB 4.26Å; W90-C93 PolarHBondContact O-N 3.15Å; P91-C93 VanDerWaalsContact C-N 3.28Å; C93-T95 VanDerWaalsContact C-N 3.3Å; C93-T95 PolarHBondContact O-N 2.64Å; C93-I96 HydrophobicContact CB-CD1 3.63Å; C93-I96 HydrophobicContact CB-CG1 3.92Å; C93-I96 PolarHBondContact O-N 2.73Å; C93-C122 WeakPolarHBondContact CA-SG 3.28Å; C93-C122 HydrophobicContact CB-CB 3.73Å; C93-C122 WeakPolarHBondContact CB-SG 3.42Å; C93-C122 VanDerWaalsContact SG-C 3.53Å; C93-C122 WeakPolarHBondContact SG-CB 3.24Å; C93-C122 CovalentContact SG-SG 2.04Å; C93-C122 PolarHBondContact SG-SG 2.97Å
94P98.3Very high98.2Very high77 Ų7739.8 Ų39.850%0.520%0.197SC..G310 helixtrans-65-31-172.325.6-35.4000113.5Q92 I96 K97 S130Q92-P94 VanDerWaalsContact O-CD 3.23Å; Q92-P94 WeakPolarHBondContact O-CD 3.27Å; P94-I96 PolarHBondContact O-N 3.48Å; P94-I96 VanDerWaalsContact O-N 3.1Å; P94-K97 PolarHBondContact O-N 2.72Å; P94-K97 VanDerWaalsContact O-N 3.07Å; P94-S130 WeakPolarHBondContact CD-OG 3.36Å
95T98.6Very high98.1Very high9 Ų939 Ų396%0.05519%0.194CC..G310 helixtrans-57.5-27.2-179.359.30000112.7C93 K97 E98 D119 E132C93-T95 VanDerWaalsContact C-N 3.3Å; C93-T95 PolarHBondContact O-N 2.64Å; T95-K97 PolarHBondContact O-N 2.96Å; T95-E98 WeakPolarHBondContact O-CB 3.31Å; T95-E98 PolarHBondContact O-N 3.18Å; T95-E98 VanDerWaalsContact O-N 3.08Å; T95-D119 VanDerWaalsContact CB-OD1 3.24Å; T95-D119 WeakPolarHBondContact CB-OD1 3.28Å; T95-D119 WeakPolarHBondContact OG1-CA 3.3Å; T95-D119 PolarHBondContact OG1-OD1 3.16Å; T95-E132 HydrophobicContact CG2-CG 4.34Å
96I98.8Very high98Very high0 Ų038 Ų380%019%0.189CC..G310 helixtrans-64.7-32.4-178.3-52.3176.7000110.8A86 R87 W90 C93 P94 D119 I123 P248 R281 L283A86-I96 HydrophobicContact CB-CD1 4.48Å; A86-I96 HydrophobicContact CB-CG2 3.7Å; R87-I96 HydrophobicContact CB-CG2 4.44Å; R87-I96 HydrophobicContact CG-CB 4.28Å; R87-I96 HydrophobicContact CG-CG2 3.61Å; W90-I96 HydrophobicContact CB-CD1 3.67Å; W90-I96 HydrophobicContact CE3-CD1 4.16Å; W90-I96 HydrophobicContact CG-CD1 4.45Å; C93-I96 HydrophobicContact CB-CD1 3.63Å; C93-I96 HydrophobicContact CB-CG1 3.92Å; C93-I96 PolarHBondContact O-N 2.73Å; P94-I96 PolarHBondContact O-N 3.48Å; P94-I96 VanDerWaalsContact O-N 3.1Å; I96-D119 VanDerWaalsContact CA-OD1 3.25Å; I96-D119 WeakPolarHBondContact CA-OD1 3.31Å; I96-D119 HydrophobicContact CG1-CB 3.96Å; I96-D119 WeakPolarHBondContact CG1-OD1 3.24Å; I96-D119 PolarHBondContact N-OD1 3.16Å; I96-I123 HydrophobicContact CD1-CD1 4.09Å; I96-I123 HydrophobicContact CD1-CG1 4.39Å; I96-P248 HydrophobicContact CG2-CG 4.22Å; I96-R281 PolarHBondContact O-NH1 2.97Å; I96-R281 PolarHBondContact O-NH2 2.93Å; I96-R281 VanDerWaalsContact O-NH2 3.16Å; I96-L283 HydrophobicContact CG2-CD1 4.19Å
97K98.7Very high98Very high106 Ų10638 Ų3846%0.46119%0.189SC..G310 helixtrans-84.2-17.6179.3-64.5168.4-177.2146.50112.9R87 P91 P94 T95R87-K97 HydrophobicContact CB-CG 4.01Å; R87-K97 HydrophobicContact CG-CG 3.82Å; P91-K97 PolarHBondContact O-NZ 3.22Å; P94-K97 PolarHBondContact O-N 2.72Å; P94-K97 VanDerWaalsContact O-N 3.07Å; T95-K97 PolarHBondContact O-N 2.96Å
98E98.7Very high98Very high39 Ų3935 Ų3518%0.18218%0.177CC..  trans-66135.5-177.5-178174.2-116.800110.7T95 R100 R281T95-E98 WeakPolarHBondContact O-CB 3.31Å; T95-E98 PolarHBondContact O-N 3.18Å; T95-E98 VanDerWaalsContact O-N 3.08Å; E98-R100 HydrophobicContact CG-CG 4.05Å; E98-R100 IonicContact OE2-CZ 2.79Å; E98-R100 VanDerWaalsContact OE2-CZ 3.31Å; E98-R100 IonicContact OE2-NE 2.7Å; E98-R100 PolarHBondContact OE2-NE 3.47Å; E98-R100 IonicContact OE2-NH2 3.77Å; E98-R100 PolarHBondContact OE2-NH2 3.28Å; E98-R281 PolarHBondContact O-NH2 3.45Å
99I98.6Very high98Very high15 Ų1527.7 Ų27.78%0.07714%0.143CC..  trans-112.9133165.8-68.5-62.3000106.7A297 T302 F309I99-A297 HydrophobicContact CD1-CB 3.63Å; I99-T302 HydrophobicContact CB-CG2 3.71Å; I99-T302 HydrophobicContact CG1-CG2 4.28Å; I99-T302 HydrophobicContact CG2-CG2 3.91Å; I99-F309 HydrophobicContact CD1-CD1 4.11Å; I99-F309 HydrophobicContact CD1-CD2 4.11Å; I99-F309 HydrophobicContact CD1-CE1 3.79Å; I99-F309 HydrophobicContact CD1-CE2 3.77Å; I99-F309 HydrophobicContact CD1-CG 4.26Å; I99-F309 HydrophobicContact CD1-CZ 3.59Å; I99-F309 HydrophobicContact CG1-CD2 4.19Å; I99-F309 HydrophobicContact CG1-CE1 4.46Å; I99-F309 HydrophobicContact CG1-CE2 3.61Å; I99-F309 HydrophobicContact CG1-CZ 3.76Å
100R98.3Very high98Very high6 Ų623.1 Ų23.12%0.02312%0.122CC..  trans-108.2175.1179.3-53.6-170.1170.2-164.2-8111.4E98 F111 E115 E132 V133 L172 S299 N301E98-R100 HydrophobicContact CG-CG 4.05Å; E98-R100 IonicContact OE2-CZ 2.79Å; E98-R100 VanDerWaalsContact OE2-CZ 3.31Å; E98-R100 IonicContact OE2-NE 2.7Å; E98-R100 PolarHBondContact OE2-NE 3.47Å; E98-R100 IonicContact OE2-NH2 3.77Å; E98-R100 PolarHBondContact OE2-NH2 3.28Å; R100-F111 HydrophobicContact CB-CD1 3.69Å; R100-F111 HydrophobicContact CB-CE1 3.6Å; R100-E115 HydrophobicContact CG-CG 4.24Å; R100-E132 VanDerWaalsContact NH2-CB 3.27Å; R100-E132 IonicContact NH2-OE2 3.22Å; R100-V133 PolarHBondContact NH1-O 3.5Å; R100-L172 HydrophobicContact CB-CD2 3.91Å; R100-L172 HydrophobicContact CG-CD2 3.85Å; R100-S299 CarbonylContact O-C 3.43Å; R100-S299 VanDerWaalsContact O-C 3.25Å; R100-S299 WeakPolarHBondContact O-CA 3.19Å; R100-N301 PolarHBondContact O-N 2.98Å; R100-N301 VanDerWaalsContact O-N 3.11Å
101D97.4Very high98Very high13 Ų1321.9 Ų21.97%0.0712%0.117CC..BIsolated β-bridgetrans-131.7120.5178.6-168.7-17.3000109.6G103 F111 P186 S299 N301D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 WeakPolarHBondContact OD1-CA 3.18Å; D101-G103 PolarHBondContact OD1-N 2.75Å; D101-F111 WeakPolarHBondContact O-CE1 3.24Å; D101-F111 WeakPolarHBondContact O-CZ 3.11Å; D101-P186 HydrophobicContact CB-CB 4.16Å; D101-P186 WeakPolarHBondContact OD2-CA 3.2Å; D101-P186 WeakPolarHBondContact OD2-CB 3.31Å; D101-S299 WeakPolarHBondContact CA-O 3.26Å; D101-N301 HydrophobicContact CB-CB 4.09Å; D101-N301 WeakPolarHBondContact OD2-CB 3.42Å; D101-N301 PolarHBondContact OD2-ND2 3.22Å
102Q97.6Very high98Very high0 Ų018.4 Ų18.40%09%0.094CC..  trans-79.2-7.7176.972-174.38000113.4L58 C105 F111 Y182 H278 S299 W300L58-Q102 HydrophobicContact CD2-CG 3.99Å; L58-Q102 PolarHBondContact O-NE2 2.79Å; Q102-C105 WeakPolarHBondContact CG-O 3.11Å; Q102-C105 PolarHBondContact NE2-O 3.46Å; Q102-C105 WeakPolarHBondContact O-CB 3.5Å; Q102-C105 PolarHBondContact O-N 3.41Å; Q102-F111 HydrophobicContact CB-CD2 4.06Å; Q102-F111 HydrophobicContact CB-CE1 4.36Å; Q102-F111 HydrophobicContact CB-CE2 3.85Å; Q102-F111 HydrophobicContact CB-CG 4.42Å; Q102-F111 HydrophobicContact CB-CZ 4.02Å; Q102-Y182 PolarHBondContact O-OH 3.15Å; Q102-H278 PolarHBondContact OE1-CE1 3.2Å; Q102-S299 WeakPolarHBondContact CG-O 3.2Å; Q102-S299 PolarHBondContact N-O 3.23Å; Q102-S299 PolarHBondContact OE1-OG 3.32Å; Q102-W300 VanDerWaalsContact OE1-CD1 3.28Å; Q102-W300 VanDerWaalsContact OE1-NE1 3.11Å
103G95.2Very high98.1Very high0 Ų013.8 Ų13.80%07%0.073CC..THydrogen-bonded Turntrans56.3-150-174.600000112.7D101 C105D101-G103 VanDerWaalsContact C-N 3.26Å; D101-G103 WeakPolarHBondContact OD1-CA 3.18Å; D101-G103 PolarHBondContact OD1-N 2.75Å; G103-C105 PolarHBondContact O-N 3.11Å
104S94.5Very high98.1Very high15 Ų1513.7 Ų13.711%0.1057%0.073CC..THydrogen-bonded Turntrans-77.639.8176.4-72.80000113.9Y54 R57 T199Y54-S104 WeakPolarHBondContact CD2-OG 3.33Å; R57-S104 WeakPolarHBondContact CD-O 3.24Å; R57-S104 PolarHBondContact NE-O 2.94Å; S104-T199 WeakPolarHBondContact CB-O 3.27Å; S104-T199 PolarHBondContact OG-N 2.92Å; S104-T199 PolarHBondContact OG-O 2.64Å
105C97Very high98.1Very high0 Ų010.3 Ų10.30%05%0.05CC..SBendtrans-134.6130.3-176.4172.80000110.2Q102 G103 S107 C150 I184Q102-C105 WeakPolarHBondContact CG-O 3.11Å; Q102-C105 PolarHBondContact NE2-O 3.46Å; Q102-C105 WeakPolarHBondContact O-CB 3.5Å; Q102-C105 PolarHBondContact O-N 3.41Å; G103-C105 PolarHBondContact O-N 3.11Å; C105-S107 PolarHBondContact O-N 3.01Å; C105-S107 WeakPolarHBondContact SG-CB 3.48Å; C105-S107 PolarHBondContact SG-OG 3.37Å; C105-C150 HydrophobicContact CB-CB 3.83Å; C105-C150 WeakPolarHBondContact CB-SG 3.45Å; C105-C150 WeakPolarHBondContact SG-CA 3.21Å; C105-C150 WeakPolarHBondContact SG-CB 3.26Å; C105-C150 CovalentContact SG-SG 2.03Å; C105-C150 PolarHBondContact SG-SG 3.15Å; C105-I184 HydrophobicContact CB-CD1 3.53Å; C105-I184 HydrophobicContact CB-CG2 4.45Å
106G97.7Very high98.1Very high1 Ų19.9 Ų9.91%0.015%0.047CC..  trans-74.954.9174.800000112.8R57 W109 C150R57-G106 WeakPolarHBondContact O-CA 3.38Å; R57-G106 PolarHBondContact O-N 2.77Å; G106-W109 VanDerWaalsContact O-CD1 3.25Å; G106-W109 PolarHBondContact O-NE1 3.2Å; G106-C150 VanDerWaalsContact CA-O 3.24Å; G106-C150 WeakPolarHBondContact CA-O 3.15Å; G106-C150 PolarHBondContact N-O 3.05Å
107S98.6Very high98.1Very high0 Ų09.9 Ų9.90%05%0.047CC..  trans-101.711.7-177.257.40000113.4C105 W109 A110 F111 Y182C105-S107 PolarHBondContact O-N 3.01Å; C105-S107 WeakPolarHBondContact SG-CB 3.48Å; C105-S107 PolarHBondContact SG-OG 3.37Å; S107-W109 PolarHBondContact O-N 3.05Å; S107-W109 VanDerWaalsContact O-N 3.09Å; S107-A110 WeakPolarHBondContact O-CA 3.4Å; S107-A110 WeakPolarHBondContact O-CB 3.25Å; S107-A110 PolarHBondContact O-N 3.28Å; S107-F111 WeakPolarHBondContact O-CD2 3.01Å; S107-F111 PolarHBondContact O-N 3.3Å; S107-F111 WeakPolarHBondContact OG-CD2 3.49Å; S107-F111 WeakPolarHBondContact OG-CE2 3.17Å; S107-Y182 PolarHBondContact OG-OH 3.47Å
108C98.7Very high98.1Very high0 Ų04.9 Ų4.90%03%0.026CC..Hα-helixtrans-50.1-36.5178.155.20000113.9G60 T61 A110 F111 G112 H278G60-C108 VanDerWaalsContact CA-SG 3.5Å; G60-C108 PolarHBondContact N-SG 3.03Å; T61-C108 PolarHBondContact OG1-SG 3.32Å; C108-A110 PolarHBondContact O-N 2.98Å; C108-F111 PolarHBondContact O-N 2.86Å; C108-F111 VanDerWaalsContact O-N 3.13Å; C108-G112 PolarHBondContact O-N 3.15Å; C108-H278 WeakPolarHBondContact CB-CE1 3.47Å; C108-H278 VanDerWaalsContact CB-ND1 3.31Å; C108-H278 WeakPolarHBondContact CB-ND1 2.92Å; C108-H278 PolarHBondContact SG-ND1 2.03Å; C108-H278 VanDerWaalsContact SG-ND1 3.43Å
109W98.8Very high98.2Very high2 Ų23 Ų31%0.0082%0.017CC..Hα-helixtrans-61.8-23.2174.365.9-90.5000114G106 S107 L138 L139 C146 G149 P155 A158 E250G106-W109 VanDerWaalsContact O-CD1 3.25Å; G106-W109 PolarHBondContact O-NE1 3.2Å; S107-W109 PolarHBondContact O-N 3.05Å; S107-W109 VanDerWaalsContact O-N 3.09Å; W109-L138 HydrophobicContact CH2-CG 4.41Å; W109-L138 HydrophobicContact CZ3-CD1 4.29Å; W109-L138 HydrophobicContact CZ3-CD2 4.29Å; W109-L138 HydrophobicContact CZ3-CG 3.99Å; W109-L139 HydrophobicContact CZ2-CD1 4.05Å; W109-C146 HydrophobicContact CE3-CB 4.06Å; W109-C146 HydrophobicContact CH2-CB 3.4Å; W109-C146 VanDerWaalsContact CH2-CB 3.4Å; W109-C146 HydrophobicContact CZ2-CB 4.28Å; W109-C146 HydrophobicContact CZ3-CB 3.28Å; W109-G149 PolarHBondContact NE1-O 3.03Å; W109-P155 HydrophobicContact CB-CG 4.16Å; W109-A158 HydrophobicContact CE3-CB 4.11Å; W109-A158 HydrophobicContact CZ3-CB 4.18Å; W109-E250 VanDerWaalsContact O-OE1 3.05Å
110A98.9Very high98.2Very high0 Ų02.3 Ų2.30%01%0.013CC..Hα-helixtrans-91.1-36173.100000110.9S107 C108 V114 L138S107-A110 WeakPolarHBondContact O-CA 3.4Å; S107-A110 WeakPolarHBondContact O-CB 3.25Å; S107-A110 PolarHBondContact O-N 3.28Å; C108-A110 PolarHBondContact O-N 2.98Å; A110-V114 WeakPolarHBondContact O-CG1 3.46Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.09Å; A110-L138 HydrophobicContact CB-CB 4.41Å; A110-L138 HydrophobicContact CB-CD2 3.64Å; A110-L138 HydrophobicContact CB-CG 3.96Å
111F98.9Very high98.2Very high3 Ų32 Ų21%0.0131%0.012CC..Hα-helixtrans-65.7-53.6179.8-85.5-109.8000112.2R100 D101 Q102 S107 C108 A113 V114 E115 A135 Y182R100-F111 HydrophobicContact CB-CD1 3.69Å; R100-F111 HydrophobicContact CB-CE1 3.6Å; D101-F111 WeakPolarHBondContact O-CE1 3.24Å; D101-F111 WeakPolarHBondContact O-CZ 3.11Å; Q102-F111 HydrophobicContact CB-CD2 4.06Å; Q102-F111 HydrophobicContact CB-CE1 4.36Å; Q102-F111 HydrophobicContact CB-CE2 3.85Å; Q102-F111 HydrophobicContact CB-CG 4.42Å; Q102-F111 HydrophobicContact CB-CZ 4.02Å; S107-F111 WeakPolarHBondContact O-CD2 3.01Å; S107-F111 PolarHBondContact O-N 3.3Å; S107-F111 WeakPolarHBondContact OG-CD2 3.49Å; S107-F111 WeakPolarHBondContact OG-CE2 3.17Å; C108-F111 PolarHBondContact O-N 2.86Å; C108-F111 VanDerWaalsContact O-N 3.13Å; F111-A113 PolarHBondContact O-N 2.93Å; F111-V114 PolarHBondContact O-N 2.96Å; F111-E115 WeakPolarHBondContact O-CB 3.29Å; F111-E115 WeakPolarHBondContact O-CG 3.43Å; F111-E115 PolarHBondContact O-N 3.18Å; F111-A135 HydrophobicContact CD2-CB 4.02Å; F111-A135 HydrophobicContact CE2-CB 3.74Å; F111-A135 HydrophobicContact CZ-CB 4Å; F111-Y182 HydrophobicContact CE2-CD2 4.28Å; F111-Y182 HydrophobicContact CE2-CE1 4.08Å; F111-Y182 AromaticContact CE2-CE2 3.61Å; F111-Y182 HydrophobicContact CE2-CE2 3.61Å; F111-Y182 AromaticContact CE2-CZ 3.5Å; F111-Y182 VanDerWaalsContact CE2-CZ 3.5Å; F111-Y182 AromaticContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD2 4.06Å; F111-Y182 AromaticContact CZ-CE1 3.64Å; F111-Y182 HydrophobicContact CZ-CE1 3.64Å; F111-Y182 AromaticContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CG 4.17Å; F111-Y182 AromaticContact CZ-CZ 3.55Å
112G98.8Very high98.2Very high2 Ų21.4 Ų1.42%0.0211%0.009CC..Hα-helixtrans-52.9-41.9177.300000111.8C108 A116 E250C108-G112 PolarHBondContact O-N 3.15Å; G112-A116 WeakPolarHBondContact O-CB 3.37Å; G112-A116 PolarHBondContact O-N 2.84Å; G112-E250 VanDerWaalsContact C-CD 3.49Å; G112-E250 WeakPolarHBondContact CA-OE1 3.4Å
113A98.9Very high98.2Very high0 Ų02.3 Ų2.30%01%0.014CC..Hα-helixtrans-62.1-6017500000112.3F111 E115 A116 I117 L138 A158 E250F111-A113 PolarHBondContact O-N 2.93Å; A113-E115 VanDerWaalsContact C-N 3.32Å; A113-E115 PolarHBondContact O-N 3.32Å; A113-A116 PolarHBondContact O-N 2.95Å; A113-I117 HydrophobicContact CB-CD1 4.48Å; A113-I117 WeakPolarHBondContact O-CB 3.19Å; A113-I117 WeakPolarHBondContact O-CD1 3.16Å; A113-I117 WeakPolarHBondContact O-CG1 3.46Å; A113-I117 PolarHBondContact O-N 2.94Å; A113-L138 HydrophobicContact CB-CD2 4.13Å; A113-A158 HydrophobicContact CB-CB 3.65Å; A113-E250 WeakPolarHBondContact CA-OE2 3.34Å; A113-E250 WeakPolarHBondContact CB-OE2 3.12Å; A113-E250 PolarHBondContact N-OE1 3.38Å; A113-E250 PolarHBondContact N-OE2 3.08Å
114V98.9Very high98.4Very high0 Ų04.8 Ų4.80%03%0.025CC..Hα-helixtrans-69.3-30.2-172.4-58.70000113.2A110 F111 S118 V133 A135 L138 L167A110-V114 WeakPolarHBondContact O-CG1 3.46Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.09Å; F111-V114 PolarHBondContact O-N 2.96Å; V114-S118 WeakPolarHBondContact O-CB 3.25Å; V114-S118 PolarHBondContact O-N 3.5Å; V114-S118 PolarHBondContact O-OG 3.1Å; V114-V133 HydrophobicContact CB-CB 4.05Å; V114-V133 HydrophobicContact CB-CG1 4Å; V114-V133 HydrophobicContact CG1-CG1 3.93Å; V114-A135 HydrophobicContact CG2-CB 3.77Å; V114-L138 HydrophobicContact CG1-CB 4.2Å; V114-L138 HydrophobicContact CG1-CD2 3.79Å; V114-L167 HydrophobicContact CG1-CD1 3.85Å
115E98.9Very high98.5Very high6 Ų64 Ų43%0.0282%0.02CC..Hα-helixtrans-65.1-50.4174-68.8173.1-166.800110.4R100 F111 A113 I117 S118 D119 R281R100-E115 HydrophobicContact CG-CG 4.24Å; F111-E115 WeakPolarHBondContact O-CB 3.29Å; F111-E115 WeakPolarHBondContact O-CG 3.43Å; F111-E115 PolarHBondContact O-N 3.18Å; A113-E115 VanDerWaalsContact C-N 3.32Å; A113-E115 PolarHBondContact O-N 3.32Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.23Å; E115-S118 WeakPolarHBondContact O-CB 3.1Å; E115-S118 PolarHBondContact O-N 3.13Å; E115-D119 VanDerWaalsContact O-CG 3.26Å; E115-D119 PolarHBondContact O-N 2.84Å; E115-D119 VanDerWaalsContact O-N 3.07Å; E115-R281 IonicContact OE2-NE 3.78Å; E115-R281 PolarHBondContact OE2-NE 2.03Å; E115-R281 VanDerWaalsContact OE2-NE 3.13Å
116A98.9Very high98.4Very high0 Ų09.5 Ų9.50%05%0.049CC..Hα-helixtrans-65-36.2177.500000112G112 A113 R120 W159 R281G112-A116 WeakPolarHBondContact O-CB 3.37Å; G112-A116 PolarHBondContact O-N 2.84Å; A113-A116 PolarHBondContact O-N 2.95Å; A116-R120 WeakPolarHBondContact O-CB 3.22Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.33Å; A116-W159 HydrophobicContact CB-CH2 3.98Å; A116-W159 HydrophobicContact CB-CZ2 3.84Å; A116-R281 HydrophobicContact CB-CG 4.34Å
117I98.9Very high98.3Very high0 Ų011.2 Ų11.20%06%0.063CC..Hα-helixtrans-63.3-44.8174.1-69.6164.1000110.6A113 E115 D119 R120 I121 V133 W159 W162 L167A113-I117 HydrophobicContact CB-CD1 4.48Å; A113-I117 WeakPolarHBondContact O-CB 3.19Å; A113-I117 WeakPolarHBondContact O-CD1 3.16Å; A113-I117 WeakPolarHBondContact O-CG1 3.46Å; A113-I117 PolarHBondContact O-N 2.94Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.23Å; I117-D119 VanDerWaalsContact C-N 3.33Å; I117-D119 PolarHBondContact O-N 3.35Å; I117-R120 PolarHBondContact O-N 3.07Å; I117-I121 HydrophobicContact CG2-CD1 3.86Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.38Å; I117-V133 HydrophobicContact CG2-CG1 4.47Å; I117-V133 HydrophobicContact CG2-CG2 3.93Å; I117-W159 HydrophobicContact CD1-CE3 4.37Å; I117-W159 HydrophobicContact CD1-CZ3 4.48Å; I117-W159 HydrophobicContact CG1-CE3 4.02Å; I117-W159 HydrophobicContact CG1-CH2 3.84Å; I117-W159 HydrophobicContact CG1-CZ2 4.34Å; I117-W159 HydrophobicContact CG1-CZ3 3.65Å; I117-W162 HydrophobicContact CD1-CB 3.93Å; I117-W162 HydrophobicContact CD1-CD2 3.78Å; I117-W162 HydrophobicContact CD1-CE3 4.11Å; I117-W162 HydrophobicContact CD1-CG 3.73Å; I117-W162 HydrophobicContact CG1-CD2 4.07Å; I117-W162 HydrophobicContact CG1-CE3 4.18Å; I117-W162 HydrophobicContact CG1-CG 4.49Å; I117-W162 HydrophobicContact CG1-CZ2 4.47Å; I117-W162 HydrophobicContact CG1-CZ3 4.42Å; I117-W162 HydrophobicContact CG2-CD2 4.2Å; I117-W162 HydrophobicContact CG2-CH2 4.47Å; I117-W162 HydrophobicContact CG2-CZ2 3.74Å; I117-L167 HydrophobicContact CD1-CD1 4.16Å
118S98.9Very high98.1Very high0 Ų016.4 Ų16.40%09%0.087CC..Hα-helixtrans-57.8-47.3178.6-59.10000111V114 E115 R120 I121 C122 V131 V133V114-S118 WeakPolarHBondContact O-CB 3.25Å; V114-S118 PolarHBondContact O-N 3.5Å; V114-S118 PolarHBondContact O-OG 3.1Å; E115-S118 WeakPolarHBondContact O-CB 3.1Å; E115-S118 PolarHBondContact O-N 3.13Å; S118-R120 PolarHBondContact O-N 3.16Å; S118-I121 PolarHBondContact O-N 2.9Å; S118-C122 PolarHBondContact O-N 3.09Å; S118-V131 VanDerWaalsContact CB-O 3.26Å; S118-V131 WeakPolarHBondContact CB-O 3.28Å; S118-V131 PolarHBondContact OG-O 3.22Å; S118-V133 WeakPolarHBondContact OG-CB 3.46Å; S118-V133 PolarHBondContact OG-N 3.09Å
119D98.9Very high98Very high1 Ų117.9 Ų17.91%0.00510%0.096CC..Hα-helixtrans-59.3-48.6176.4-64.5-16.4000111.6T95 I96 E115 I117 I121 C122 I123 P248 R281T95-D119 VanDerWaalsContact CB-OD1 3.24Å; T95-D119 WeakPolarHBondContact CB-OD1 3.28Å; T95-D119 WeakPolarHBondContact OG1-CA 3.3Å; T95-D119 PolarHBondContact OG1-OD1 3.16Å; I96-D119 VanDerWaalsContact CA-OD1 3.25Å; I96-D119 WeakPolarHBondContact CA-OD1 3.31Å; I96-D119 HydrophobicContact CG1-CB 3.96Å; I96-D119 WeakPolarHBondContact CG1-OD1 3.24Å; I96-D119 PolarHBondContact N-OD1 3.16Å; E115-D119 VanDerWaalsContact O-CG 3.26Å; E115-D119 PolarHBondContact O-N 2.84Å; E115-D119 VanDerWaalsContact O-N 3.07Å; I117-D119 VanDerWaalsContact C-N 3.33Å; I117-D119 PolarHBondContact O-N 3.35Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 3.23Å; D119-C122 PolarHBondContact O-N 3.22Å; D119-C122 VanDerWaalsContact O-N 3.15Å; D119-I123 VanDerWaalsContact O-CG1 3.29Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3Å; D119-P248 HydrophobicContact CB-CG 4.2Å; D119-P248 WeakPolarHBondContact OD2-CG 3.47Å; D119-R281 WeakPolarHBondContact OD2-CD 3.48Å; D119-R281 IonicContact OD2-CZ 3.72Å; D119-R281 IonicContact OD2-NE 3.2Å; D119-R281 IonicContact OD2-NH1 3.89Å; D119-R281 PolarHBondContact OD2-NH1 2.65Å
120R98.8Very high97.9Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-66.2-35.5-178.1-73.6179.5175.1-116.3-12.8112.3A116 I117 S118 C122 I123 H124 Y230 E242 N246 G247 P248 V249 G328A116-R120 WeakPolarHBondContact O-CB 3.22Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.33Å; I117-R120 PolarHBondContact O-N 3.07Å; S118-R120 PolarHBondContact O-N 3.16Å; R120-C122 VanDerWaalsContact C-N 3.3Å; R120-C122 PolarHBondContact O-N 3.15Å; R120-I123 PolarHBondContact O-N 3.09Å; R120-H124 VanDerWaalsContact O-CB 3.32Å; R120-H124 WeakPolarHBondContact O-CB 3.33Å; R120-H124 PolarHBondContact O-CD2 3.24Å; R120-H124 PolarHBondContact O-N 3.1Å; R120-Y230 PolarHBondContact NH1-OH 2.97Å; R120-E242 IonicContact CZ-OE1 2.96Å; R120-E242 IonicContact NH1-OE1 3.23Å; R120-E242 PolarHBondContact NH1-OE1 2.69Å; R120-E242 IonicContact NH2-OE1 3.62Å; R120-E242 PolarHBondContact NH2-OE1 3.2Å; R120-N246 WeakPolarHBondContact CG-O 3.32Å; R120-G247 PolarHBondContact NH2-O 2.93Å; R120-P248 PolarHBondContact NE-O 3.37Å; R120-P248 PolarHBondContact NH2-O 2.88Å; R120-V249 VanDerWaalsContact NH2-CG1 3.27Å; R120-G328 WeakPolarHBondContact CD-O 3.44Å; R120-G328 PolarHBondContact NH1-O 3.23Å
121I98.3Very high97.9Very high0 Ų021.7 Ų21.70%012%0.122CC..Hα-helixtrans-58.3-47.5172.7-70.7166.1000109.5I117 S118 D119 T125 V129 V131 V133 H224 P330 Y335I117-I121 HydrophobicContact CG2-CD1 3.86Å; I117-I121 HydrophobicContact CG2-CG1 4.34Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.38Å; S118-I121 PolarHBondContact O-N 2.9Å; D119-I121 VanDerWaalsContact C-N 3.34Å; D119-I121 PolarHBondContact O-N 3.23Å; I121-T125 HydrophobicContact CG2-CG2 4.46Å; I121-T125 VanDerWaalsContact O-CB 3.31Å; I121-T125 WeakPolarHBondContact O-CB 3.46Å; I121-T125 WeakPolarHBondContact O-CG2 3.23Å; I121-T125 PolarHBondContact O-N 2.04Å; I121-T125 PolarHBondContact O-OG1 3.02Å; I121-V129 HydrophobicContact CG2-CB 4.35Å; I121-V129 HydrophobicContact CG2-CG1 3.99Å; I121-V131 HydrophobicContact CB-CG1 4.38Å; I121-V131 HydrophobicContact CD1-CG1 3.88Å; I121-V131 HydrophobicContact CG2-CG1 3.87Å; I121-V133 HydrophobicContact CD1-CG2 3.7Å; I121-H224 HydrophobicContact CD1-CB 4.04Å; I121-P330 HydrophobicContact CG1-CB 4.03Å; I121-Y335 HydrophobicContact CG2-CE2 4.09Å; I121-Y335 WeakPolarHBondContact CG2-OH 3.33Å
122C98.4Very high97.9Very high0 Ų023.7 Ų23.70%013%0.131CC..Hα-helixtrans-63.8-47.8177.9-177.90000113C93 S118 D119 R120 H124 T125 N126 A127 V129C93-C122 WeakPolarHBondContact CA-SG 3.28Å; C93-C122 HydrophobicContact CB-CB 3.73Å; C93-C122 WeakPolarHBondContact CB-SG 3.42Å; C93-C122 VanDerWaalsContact SG-C 3.53Å; C93-C122 WeakPolarHBondContact SG-CB 3.24Å; C93-C122 CovalentContact SG-SG 2.04Å; C93-C122 PolarHBondContact SG-SG 2.97Å; S118-C122 PolarHBondContact O-N 3.09Å; D119-C122 PolarHBondContact O-N 3.22Å; D119-C122 VanDerWaalsContact O-N 3.15Å; R120-C122 VanDerWaalsContact C-N 3.3Å; R120-C122 PolarHBondContact O-N 3.15Å; C122-H124 PolarHBondContact O-N 3.08Å; C122-T125 PolarHBondContact O-N 2.99Å; C122-T125 PolarHBondContact O-OG1 2.86Å; C122-N126 PolarHBondContact O-N 2.84Å; C122-A127 WeakPolarHBondContact O-CA 3.25Å; C122-A127 PolarHBondContact O-N 3.1Å; C122-V129 WeakPolarHBondContact CA-O 3.44Å
123I98.4Very high97.9Very high19 Ų1923.6 Ų23.610%0.09713%0.13CC..Hα-helixtrans-61-49.9-178.5-68.4169.4000111.2W90 I96 D119 R120 T125 N126W90-I123 HydrophobicContact CB-CG1 4.25Å; W90-I123 HydrophobicContact CD2-CD1 3.62Å; W90-I123 HydrophobicContact CD2-CG1 3.77Å; W90-I123 HydrophobicContact CD2-CG2 4.43Å; W90-I123 HydrophobicContact CE3-CD1 3.58Å; W90-I123 HydrophobicContact CE3-CG1 4.24Å; W90-I123 HydrophobicContact CG-CD1 4.13Å; W90-I123 HydrophobicContact CG-CG1 3.76Å; W90-I123 HydrophobicContact CH2-CD1 4.32Å; W90-I123 HydrophobicContact CZ2-CD1 4.35Å; W90-I123 HydrophobicContact CZ2-CG2 4.12Å; W90-I123 HydrophobicContact CZ3-CD1 3.95Å; I96-I123 HydrophobicContact CD1-CD1 4.09Å; I96-I123 HydrophobicContact CD1-CG1 4.39Å; D119-I123 VanDerWaalsContact O-CG1 3.29Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3Å; R120-I123 PolarHBondContact O-N 3.09Å; I123-T125 PolarHBondContact O-N 3.15Å; I123-N126 PolarHBondContact O-N 3.1Å; I123-N126 VanDerWaalsContact O-N 3.09Å
124H97.7Very high97.9Very high51 Ų5123.6 Ų23.624%0.23613%0.131CC..Hα-helixtrans-80.2-17.1-173.6-70.9-89.1000113.5R120 C122 N246 P330 T332R120-H124 VanDerWaalsContact O-CB 3.32Å; R120-H124 WeakPolarHBondContact O-CB 3.33Å; R120-H124 PolarHBondContact O-CD2 3.24Å; R120-H124 PolarHBondContact O-N 3.1Å; C122-H124 PolarHBondContact O-N 3.08Å; H124-N246 PolarHBondContact CE1-OD1 3.45Å; H124-N246 PolarHBondContact NE2-O 3.17Å; H124-P330 HydrophobicContact CB-CG 3.57Å; H124-T332 HydrophobicContact CB-CG2 3.91Å
125T96.8Very high97.9Very high0 Ų023.8 Ų23.80%013%0.132CC..THydrogen-bonded Turntrans-88.79.1166.762.70000112.4I121 C122 I123 A127 H128 V129 T332 Y335I121-T125 HydrophobicContact CG2-CG2 4.46Å; I121-T125 VanDerWaalsContact O-CB 3.31Å; I121-T125 WeakPolarHBondContact O-CB 3.46Å; I121-T125 WeakPolarHBondContact O-CG2 3.23Å; I121-T125 PolarHBondContact O-N 2.04Å; I121-T125 PolarHBondContact O-OG1 3.02Å; C122-T125 PolarHBondContact O-N 2.99Å; C122-T125 PolarHBondContact O-OG1 2.86Å; I123-T125 PolarHBondContact O-N 3.15Å; T125-A127 PolarHBondContact O-N 3.4Å; T125-H128 WeakPolarHBondContact O-CB 3.44Å; T125-H128 PolarHBondContact O-N 3.5Å; T125-H128 VanDerWaalsContact O-N 3.12Å; T125-H128 PolarHBondContact O-ND1 3.25Å; T125-V129 HydrophobicContact CG2-CB 4.28Å; T125-V129 HydrophobicContact CG2-CG2 4.47Å; T125-V129 PolarHBondContact OG1-N 2.81Å; T125-V129 PolarHBondContact OG1-O 3.25Å; T125-T332 HydrophobicContact CG2-CG2 4.28Å; T125-Y335 HydrophobicContact CG2-CD2 3.32Å; T125-Y335 HydrophobicContact CG2-CE2 3.76Å; T125-Y335 HydrophobicContact CG2-CG 3.99Å
126N95.6Very high97.9Very high115 Ų11523.9 Ų23.962%0.61513%0.132SC*.THydrogen-bonded Turntrans51.343.3-176.9-159.843.6000112C122 I123 H128C122-N126 PolarHBondContact O-N 2.84Å; I123-N126 PolarHBondContact O-N 3.1Å; I123-N126 VanDerWaalsContact O-N 3.09Å; N126-H128 PolarHBondContact O-N 3.08Å; N126-H128 PolarHBondContact O-ND1 2.93Å
127A95.6Very high97.9Very high36 Ų3623.9 Ų23.930%0.29813%0.132SC..THydrogen-bonded Turntrans62.313.6-178.600000117.2Q92 C122 T125 V129Q92-A127 HydrophobicContact CB-CB 4.14Å; Q92-A127 HydrophobicContact CG-CB 3.26Å; C122-A127 WeakPolarHBondContact O-CA 3.25Å; C122-A127 PolarHBondContact O-N 3.1Å; T125-A127 PolarHBondContact O-N 3.4Å; A127-V129 PolarHBondContact O-N 3.33Å
128H94.9Very high97.9Very high109 Ų10923.9 Ų23.951%0.50513%0.132SC..SBendtrans-69.4-25.6172-65.879.4000112.2T125 N126 W336 I339T125-H128 WeakPolarHBondContact O-CB 3.44Å; T125-H128 PolarHBondContact O-N 3.5Å; T125-H128 VanDerWaalsContact O-N 3.12Å; T125-H128 PolarHBondContact O-ND1 3.25Å; N126-H128 PolarHBondContact O-N 3.08Å; N126-H128 PolarHBondContact O-ND1 2.93Å; H128-W336 HydrophobicContact CB-CH2 4.41Å; H128-W336 AromaticContact CE1-CH2 3.86Å; H128-W336 AromaticContact CG-CH2 3.86Å; H128-W336 AromaticContact ND1-CH2 3.56Å; H128-I339 HydrophobicContact CB-CD1 3.9Å
129V96Very high97.9Very high32 Ų3224.1 Ų24.119%0.19413%0.134CC..  trans-130.7120.2176.5-179.20000109I121 C122 T125 A127 V131 Y335I121-V129 HydrophobicContact CG2-CB 4.35Å; I121-V129 HydrophobicContact CG2-CG1 3.99Å; C122-V129 WeakPolarHBondContact CA-O 3.44Å; T125-V129 HydrophobicContact CG2-CB 4.28Å; T125-V129 HydrophobicContact CG2-CG2 4.47Å; T125-V129 PolarHBondContact OG1-N 2.81Å; T125-V129 PolarHBondContact OG1-O 3.25Å; A127-V129 PolarHBondContact O-N 3.33Å; V129-V131 HydrophobicContact CG1-CG1 4.4Å; V129-Y335 HydrophobicContact CB-CD1 4.47Å; V129-Y335 HydrophobicContact CG1-CD1 4.25Å; V129-Y335 HydrophobicContact CG1-CE1 4.18Å; V129-Y335 HydrophobicContact CG2-CD1 3.93Å; V129-Y335 HydrophobicContact CG2-CG 4.04Å
130S97.1Very high97.9Very high59 Ų5924.8 Ų24.841%0.41314%0.138SC..  trans-120.2123.5166.6-174.80000108.1P94P94-S130 WeakPolarHBondContact CD-OG 3.36Å
131V97.9Very high97.9Very high22 Ų2225.8 Ų25.813%0.13314%0.144CC..  trans-144136.4-174.263.20000109.4S118 I121 V129 V133 S169S118-V131 VanDerWaalsContact CB-O 3.26Å; S118-V131 WeakPolarHBondContact CB-O 3.28Å; S118-V131 PolarHBondContact OG-O 3.22Å; I121-V131 HydrophobicContact CB-CG1 4.38Å; I121-V131 HydrophobicContact CD1-CG1 3.88Å; I121-V131 HydrophobicContact CG2-CG1 3.87Å; V129-V131 HydrophobicContact CG1-CG1 4.4Å; V131-V133 HydrophobicContact CG1-CG2 4.34Å; V131-S169 VanDerWaalsContact CG2-CB 3.47Å
132E98.8Very high97.9Very high45 Ų4526.3 Ų26.321%0.2115%0.148CC..  trans-81.3112.7168.6-73.9173.4-118.800108.6T95 R100 S169 G170 G171T95-E132 HydrophobicContact CG2-CG 4.34Å; R100-E132 VanDerWaalsContact NH2-CB 3.27Å; R100-E132 IonicContact NH2-OE2 3.22Å; E132-S169 CarbonylContact O-C 3.36Å; E132-S169 WeakPolarHBondContact O-CA 3.44Å; E132-G170 PolarHBondContact O-N 3.15Å; E132-G171 WeakPolarHBondContact OE2-CA 3.42Å
133V98.8Very high97.9Very high0 Ų028.3 Ų28.30%017%0.169CC..BIsolated β-bridgetrans-78.9136.4178.31790000110R100 V114 I117 S118 I121 V131 A135 L167 G170R100-V133 PolarHBondContact NH1-O 3.5Å; V114-V133 HydrophobicContact CB-CB 4.05Å; V114-V133 HydrophobicContact CB-CG1 4Å; V114-V133 HydrophobicContact CG1-CG1 3.93Å; I117-V133 HydrophobicContact CG2-CG1 4.47Å; I117-V133 HydrophobicContact CG2-CG2 3.93Å; S118-V133 WeakPolarHBondContact OG-CB 3.46Å; S118-V133 PolarHBondContact OG-N 3.09Å; I121-V133 HydrophobicContact CD1-CG2 3.7Å; V131-V133 HydrophobicContact CG1-CG2 4.34Å; V133-A135 PolarHBondContact O-N 2.89Å; V133-L167 HydrophobicContact CG1-CB 3.42Å; V133-L167 VanDerWaalsContact CG1-CB 3.42Å; V133-L167 HydrophobicContact CG1-CD1 3.69Å; V133-L167 HydrophobicContact CG1-CG 4.19Å; V133-G170 CarbonylContact C-O 3.52Å
134S98.9Very high97.8Very high1 Ų133.1 Ų33.11%0.00720%0.204CC..  trans-70.9108.9-173.1-179.50000112.3E136 D137 L138 V168 G170 R180S134-E136 PolarHBondContact O-N 3.41Å; S134-E136 WeakPolarHBondContact OG-CB 3.31Å; S134-E136 PolarHBondContact OG-N 2.86Å; S134-D137 PolarHBondContact O-N 3.04Å; S134-D137 WeakPolarHBondContact OG-CB 3.03Å; S134-D137 PolarHBondContact OG-N 3.46Å; S134-L138 PolarHBondContact O-N 2.88Å; S134-V168 WeakPolarHBondContact CB-O 2.99Å; S134-V168 PolarHBondContact N-O 3.34Å; S134-G170 WeakPolarHBondContact CA-O 3.44Å; S134-R180 WeakPolarHBondContact CB-O 3.32Å; S134-R180 PolarHBondContact OG-O 2.76Å
135A98.9Very high97.8Very high4 Ų433.5 Ų33.53%0.03321%0.207CC..Hα-helixtrans-60.4-35.4166.200000111F111 V114 V133 L138 L139 Y182F111-A135 HydrophobicContact CD2-CB 4.02Å; F111-A135 HydrophobicContact CE2-CB 3.74Å; F111-A135 HydrophobicContact CZ-CB 4Å; V114-A135 HydrophobicContact CG2-CB 3.77Å; V133-A135 PolarHBondContact O-N 2.89Å; A135-L138 PolarHBondContact O-N 3.39Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 2.99Å; A135-Y182 HydrophobicContact CB-CD2 4.01Å; A135-Y182 HydrophobicContact CB-CE2 4.19Å
136E98.8Very high97.9Very high7 Ų733.6 Ų33.63%0.03321%0.207CC..Hα-helixtrans-61.1-46.5178.8177.272.8-159.200111.9S134 T140 R180 Y182 S183S134-E136 PolarHBondContact O-N 3.41Å; S134-E136 WeakPolarHBondContact OG-CB 3.31Å; S134-E136 PolarHBondContact OG-N 2.86Å; E136-T140 VanDerWaalsContact O-CB 3.31Å; E136-T140 WeakPolarHBondContact O-CB 3.23Å; E136-T140 WeakPolarHBondContact O-CG2 3.38Å; E136-T140 PolarHBondContact O-N 3.4Å; E136-T140 PolarHBondContact O-OG1 3.44Å; E136-R180 HydrophobicContact CG-CB 4.34Å; E136-R180 IonicContact OE1-NH2 2.69Å; E136-R180 PolarHBondContact OE1-NH2 3.09Å; E136-Y182 HydrophobicContact CB-CD2 4.17Å; E136-S183 PolarHBondContact OE1-OG 2.84Å; E136-S183 VanDerWaalsContact OE1-OG 3.14Å; E136-S183 WeakPolarHBondContact OE2-CB 3.48Å; E136-S183 PolarHBondContact OE2-N 2.79Å; E136-S183 PolarHBondContact OE2-OG 2.62Å
137D98.9Very high98Very high0 Ų028.9 Ų28.90%019%0.186CC..Hα-helixtrans-64.5-43179.4-173.436.9000111.5S134 C141 L167 V168 Y219 K223S134-D137 PolarHBondContact O-N 3.04Å; S134-D137 WeakPolarHBondContact OG-CB 3.03Å; S134-D137 PolarHBondContact OG-N 3.46Å; D137-C141 WeakPolarHBondContact O-CB 3.33Å; D137-C141 PolarHBondContact O-N 3.45Å; D137-L167 HydrophobicContact CB-CD2 4.38Å; D137-L167 WeakPolarHBondContact OD2-CA 3.26Å; D137-V168 HydrophobicContact CB-CG2 3.78Å; D137-V168 PolarHBondContact OD2-N 2.84Å; D137-Y219 WeakPolarHBondContact OD1-CE2 3.45Å; D137-Y219 PolarHBondContact OD1-OH 2.5Å; D137-K223 IonicContact OD1-NZ 2.57Å; D137-K223 IonicContact OD2-NZ 3.81Å; D137-K223 PolarHBondContact OD2-NZ 3.47Å
138L98.9Very high98.1Very high0 Ų031.8 Ų31.80%020%0.196CC..Hα-helixtrans-64-53.5175.8179.257.7000111.9W109 A110 A113 V114 S134 A135 T140 C142 A158 F161 L167W109-L138 HydrophobicContact CH2-CG 4.41Å; W109-L138 HydrophobicContact CZ3-CD1 4.29Å; W109-L138 HydrophobicContact CZ3-CD2 4.29Å; W109-L138 HydrophobicContact CZ3-CG 3.99Å; A110-L138 HydrophobicContact CB-CB 4.41Å; A110-L138 HydrophobicContact CB-CD2 3.64Å; A110-L138 HydrophobicContact CB-CG 3.96Å; A113-L138 HydrophobicContact CB-CD2 4.13Å; V114-L138 HydrophobicContact CG1-CB 4.2Å; V114-L138 HydrophobicContact CG1-CD2 3.79Å; S134-L138 PolarHBondContact O-N 2.88Å; A135-L138 PolarHBondContact O-N 3.39Å; L138-T140 VanDerWaalsContact C-N 3.27Å; L138-T140 PolarHBondContact O-N 3.26Å; L138-C142 HydrophobicContact CD1-CB 4.16Å; L138-C142 VanDerWaalsContact O-CB 3.3Å; L138-C142 WeakPolarHBondContact O-CB 3.37Å; L138-C142 PolarHBondContact O-N 3.47Å; L138-C142 VanDerWaalsContact O-N 3.17Å; L138-A158 HydrophobicContact CD1-CB 4.12Å; L138-A158 HydrophobicContact CD2-CB 3.6Å; L138-A158 HydrophobicContact CG-CB 4.37Å; L138-F161 HydrophobicContact CD1-CB 4.02Å; L138-F161 HydrophobicContact CD1-CD1 3.65Å; L138-F161 HydrophobicContact CD1-CE1 4.47Å; L138-F161 HydrophobicContact CD1-CG 4.1Å; L138-L167 HydrophobicContact CB-CD1 4.23Å; L138-L167 HydrophobicContact CB-CD2 3.58Å; L138-L167 HydrophobicContact CD1-CD2 4.15Å; L138-L167 HydrophobicContact CD2-CD1 4.4Å; L138-L167 HydrophobicContact CG-CD2 4.4Å
139L98.8Very high98.3Very high5 Ų527 Ų273%0.02618%0.176CC..Hα-helixtrans-52.9-45.9-178.9171.760.4000111.4W109 A135 G149 Y182 I184 T204W109-L139 HydrophobicContact CZ2-CD1 4.05Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 2.99Å; L139-G149 VanDerWaalsContact CD1-C 3.5Å; L139-Y182 HydrophobicContact CD2-CE2 3.84Å; L139-I184 HydrophobicContact CD2-CD1 4.2Å; L139-T204 HydrophobicContact CD1-CG2 4.14Å; L139-T204 HydrophobicContact CG-CG2 4.14Å
140T98.8Very high98.4Very high15 Ų1525.5 Ų25.59%0.09217%0.167CC..Hα-helixtrans-91.7-30.7-169.6640000113.1E136 L138 R180 P205 C207E136-T140 VanDerWaalsContact O-CB 3.31Å; E136-T140 WeakPolarHBondContact O-CB 3.23Å; E136-T140 WeakPolarHBondContact O-CG2 3.38Å; E136-T140 PolarHBondContact O-N 3.4Å; E136-T140 PolarHBondContact O-OG1 3.44Å; L138-T140 VanDerWaalsContact C-N 3.27Å; L138-T140 PolarHBondContact O-N 3.26Å; T140-R180 PolarHBondContact OG1-NH1 2.97Å; T140-P205 WeakPolarHBondContact CB-O 3.48Å; T140-P205 HydrophobicContact CG2-CB 3.8Å; T140-P205 HydrophobicContact CG2-CG 4.27Å; T140-P205 WeakPolarHBondContact CG2-O 3.49Å; T140-C207 WeakPolarHBondContact O-CB 3.23Å
141C98.8Very high98.4Very high21 Ų2126.5 Ų26.514%0.14217%0.168CC..Hα-helixtrans-107-8.4-170.4-63.70000115.7D137 F161 C207D137-C141 WeakPolarHBondContact O-CB 3.33Å; D137-C141 PolarHBondContact O-N 3.45Å; C141-F161 HydrophobicContact CB-CZ 4.12Å; C141-F161 WeakPolarHBondContact O-CE2 3.29Å; C141-C207 VanDerWaalsContact CA-SG 3.56Å; C141-C207 HydrophobicContact CB-CB 4Å; C141-C207 WeakPolarHBondContact CB-SG 3.37Å; C141-C207 VanDerWaalsContact SG-CA 3.54Å; C141-C207 WeakPolarHBondContact SG-CB 3.39Å; C141-C207 CovalentContact SG-SG 2.04Å; C141-C207 PolarHBondContact SG-SG 3.13Å
142C98.7Very high98.4Very high12 Ų1225.5 Ų25.58%0.08116%0.162CC..SBendtrans-69.5-38173.5-173.50000112.5L138 C146 F161L138-C142 HydrophobicContact CD1-CB 4.16Å; L138-C142 VanDerWaalsContact O-CB 3.3Å; L138-C142 WeakPolarHBondContact O-CB 3.37Å; L138-C142 PolarHBondContact O-N 3.47Å; L138-C142 VanDerWaalsContact O-N 3.17Å; C142-C146 HydrophobicContact CB-CB 3.66Å; C142-C146 WeakPolarHBondContact CB-SG 3.36Å; C142-C146 WeakPolarHBondContact SG-CB 3.27Å; C142-C146 PolarHBondContact SG-N 3.31Å; C142-C146 VanDerWaalsContact SG-N 3.37Å; C142-C146 CovalentContact SG-SG 2.02Å; C142-C146 PolarHBondContact SG-SG 3Å; C142-F161 HydrophobicContact CB-CB 4.36Å; C142-F161 HydrophobicContact CB-CD1 4.43Å; C142-F161 HydrophobicContact CB-CD2 3.87Å; C142-F161 HydrophobicContact CB-CE2 4.23Å; C142-F161 HydrophobicContact CB-CG 3.96Å
143G98.1Very high98.4Very high42 Ų4223.3 Ų23.343%0.43315%0.152SC..G310 helixtrans67.1-153.8-177.200000112.6M145 C146G143-M145 PolarHBondContact O-N 2.87Å; G143-C146 PolarHBondContact O-N 2.95Å
144S97.6Very high98.4Very high119 Ų11926.9 Ų26.983%0.83217%0.166SC*.G310 helixtrans-60.5-14.2-172.565.20000115.1C146 G147S144-C146 VanDerWaalsContact C-N 3.33Å; S144-G147 WeakPolarHBondContact CA-O 3.26Å
145M97.7Very high98.4Very high60 Ų6027.1 Ų27.130%0.29617%0.167SC..G310 helixtrans-61.6-43.5171.7-178.3-175-49.200110.9G143 E157G143-M145 PolarHBondContact O-N 2.87Å; M145-E157 HydrophobicContact CG-CB 4.21Å; M145-E157 HydrophobicContact CG-CG 4.38Å; M145-E157 WeakPolarHBondContact CG-OE2 3.46Å; M145-E157 VanDerWaalsContact O-CB 3.26Å; M145-E157 WeakPolarHBondContact O-CB 3.37Å; M145-E157 VanDerWaalsContact O-CG 3.27Å; M145-E157 WeakPolarHBondContact O-CG 3.4Å
146C98.6Very high98.4Very high1 Ų127.2 Ų27.21%0.00717%0.168CC..THydrogen-bonded Turntrans-89.4-10-179.8-66.90000113.6W109 C142 G143 S144 G153 Y154 E157W109-C146 HydrophobicContact CE3-CB 4.06Å; W109-C146 HydrophobicContact CH2-CB 3.4Å; W109-C146 VanDerWaalsContact CH2-CB 3.4Å; W109-C146 HydrophobicContact CZ2-CB 4.28Å; W109-C146 HydrophobicContact CZ3-CB 3.28Å; C142-C146 HydrophobicContact CB-CB 3.66Å; C142-C146 WeakPolarHBondContact CB-SG 3.36Å; C142-C146 WeakPolarHBondContact SG-CB 3.27Å; C142-C146 PolarHBondContact SG-N 3.31Å; C142-C146 VanDerWaalsContact SG-N 3.37Å; C142-C146 CovalentContact SG-SG 2.02Å; C142-C146 PolarHBondContact SG-SG 3Å; G143-C146 PolarHBondContact O-N 2.95Å; S144-C146 VanDerWaalsContact C-N 3.33Å; C146-G153 CarbonylContact O-C 3.36Å; C146-G153 WeakPolarHBondContact O-CA 3.41Å; C146-Y154 PolarHBondContact O-N 3.01Å; C146-E157 HydrophobicContact CB-CB 4.49Å; C146-E157 VanDerWaalsContact SG-C 3.54Å; C146-E157 PolarHBondContact SG-O 3.44Å
147G98.1Very high98.4Very high17 Ų1728.3 Ų28.318%0.17517%0.173CC..BIsolated β-bridgetrans122.6-138.5-177.300000112S144S144-G147 WeakPolarHBondContact CA-O 3.26Å
148D97.9Very high98.4Very high96 Ų9628.3 Ų28.351%0.51317%0.173SC..SBendtrans-119.640.2-171.4-165.136.3000112.6C150 N151 G152D148-C150 PolarHBondContact O-N 3.18Å; D148-C150 VanDerWaalsContact O-N 3.14Å; D148-N151 HydrophobicContact CB-CB 4.1Å; D148-N151 WeakPolarHBondContact O-CB 3.42Å; D148-N151 PolarHBondContact O-N 3.3Å; D148-N151 WeakPolarHBondContact OD2-CB 3.35Å; D148-N151 PolarHBondContact OD2-ND2 3.48Å; D148-G152 PolarHBondContact N-O 3.39Å
149G98.2Very high98.4Very high8 Ų828.3 Ų28.38%0.08217%0.173CC..G310 helixtrans58.2-117.4173.700000112.9W109 L139 N151 G152 T204W109-G149 PolarHBondContact NE1-O 3.03Å; L139-G149 VanDerWaalsContact CD1-C 3.5Å; G149-N151 PolarHBondContact O-N 3.35Å; G149-G152 PolarHBondContact O-N 2.83Å; G149-T204 WeakPolarHBondContact CA-OG1 3.48Å
150C98Very high98.3Very high1 Ų130.2 Ų30.21%0.00718%0.183CC..G310 helixtrans-70.8-8.4178-70.20000114.9R57 C105 G106 D148 G152 T204R57-C150 VanDerWaalsContact CZ-O 3.26Å; R57-C150 PolarHBondContact NH2-O 2.98Å; C105-C150 HydrophobicContact CB-CB 3.83Å; C105-C150 WeakPolarHBondContact CB-SG 3.45Å; C105-C150 WeakPolarHBondContact SG-CA 3.21Å; C105-C150 WeakPolarHBondContact SG-CB 3.26Å; C105-C150 CovalentContact SG-SG 2.03Å; C105-C150 PolarHBondContact SG-SG 3.15Å; G106-C150 VanDerWaalsContact CA-O 3.24Å; G106-C150 WeakPolarHBondContact CA-O 3.15Å; G106-C150 PolarHBondContact N-O 3.05Å; D148-C150 PolarHBondContact O-N 3.18Å; D148-C150 VanDerWaalsContact O-N 3.14Å; C150-G152 VanDerWaalsContact C-N 3.34Å; C150-T204 PolarHBondContact N-OG1 2.88Å
151N97.4Very high98.3Very high81 Ų8130.1 Ų30.143%0.43318%0.182SC..G310 helixtrans-94.51.3173.1-56.3-42.5000112.5R57 F62 D148 G149R57-N151 PolarHBondContact NH1-OD1 3.48Å; R57-N151 PolarHBondContact NH2-OD1 2.96Å; F62-N151 WeakPolarHBondContact CZ-O 2.99Å; D148-N151 HydrophobicContact CB-CB 4.1Å; D148-N151 WeakPolarHBondContact O-CB 3.42Å; D148-N151 PolarHBondContact O-N 3.3Å; D148-N151 WeakPolarHBondContact OD2-CB 3.35Å; D148-N151 PolarHBondContact OD2-ND2 3.48Å; G149-N151 PolarHBondContact O-N 3.35Å
152G98.2Very high98.3Very high0 Ų029.1 Ų29.10%018%0.175CC..  trans119.8166.316900000114.3G60 F62 D148 G149 C150G60-G152 CarbonylContact O-C 3.46Å; G60-G152 WeakPolarHBondContact O-CA 3.03Å; F62-G152 VanDerWaalsContact CE2-C 3.46Å; F62-G152 WeakPolarHBondContact CE2-O 2.95Å; D148-G152 PolarHBondContact N-O 3.39Å; G149-G152 PolarHBondContact O-N 2.83Å; C150-G152 VanDerWaalsContact C-N 3.34Å
153G98.6Very high98.3Very high0 Ų030 Ų300%018%0.18CC..BIsolated β-bridgetrans-163-176.1-172.900000115.4G60 F62 C146G60-G153 PolarHBondContact O-N 2.03Å; F62-G153 PolarHBondContact N-O 3.15Å; C146-G153 CarbonylContact O-C 3.36Å; C146-G153 WeakPolarHBondContact O-CA 3.41Å
154Y98.7Very high98.3Very high74 Ų7435.2 Ų35.229%0.2919%0.187SC..  trans-111.3110.8-172.9-58.4-69.3000110.3F62 C146 A156 E157 A158F62-Y154 HydrophobicContact CB-CD1 3.74Å; F62-Y154 HydrophobicContact CB-CE1 3.35Å; F62-Y154 HydrophobicContact CD2-CD1 4.32Å; F62-Y154 AromaticContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE1 3.84Å; F62-Y154 HydrophobicContact CD2-CE2 4.06Å; F62-Y154 AromaticContact CD2-CZ 3.68Å; F62-Y154 HydrophobicContact CG-CE1 4.04Å; C146-Y154 PolarHBondContact O-N 3.01Å; Y154-A156 VanDerWaalsContact C-N 3.27Å; Y154-A156 PolarHBondContact O-N 3.2Å; Y154-E157 PolarHBondContact O-N 3.44Å; Y154-A158 PolarHBondContact O-N 3.39Å
155P98.7Very high98.3Very high6 Ų635.4 Ų35.44%0.03917%0.173CC..Hα-helixtrans-50.5-44.9177.9-32.738.2000113.1T61 W109 E157 A158 W159 E250 A279 V326T61-P155 HydrophobicContact CG2-CG 3.7Å; W109-P155 HydrophobicContact CB-CG 4.16Å; P155-E157 VanDerWaalsContact C-N 3.25Å; P155-E157 PolarHBondContact O-N 3.46Å; P155-E157 VanDerWaalsContact O-N 3.16Å; P155-A158 VanDerWaalsContact O-CB 3.28Å; P155-A158 WeakPolarHBondContact O-CB 3.32Å; P155-A158 PolarHBondContact O-N 3.2Å; P155-W159 PolarHBondContact O-N 2.88Å; P155-E250 HydrophobicContact CB-CG 4.35Å; P155-A279 HydrophobicContact CG-CB 4Å; P155-V326 HydrophobicContact CB-CG2 4.07Å
156A98.4Very high98.4Very high6 Ų632.6 Ų32.65%0.0516%0.159CC..Hα-helixtrans-51-42.6176.700000114.3P66 P68 Y154 A158 N160P66-A156 HydrophobicContact CB-CB 4.43Å; P66-A156 WeakPolarHBondContact O-CB 3.43Å; P68-A156 HydrophobicContact CG-CB 3.8Å; Y154-A156 VanDerWaalsContact C-N 3.27Å; Y154-A156 PolarHBondContact O-N 3.2Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A156-N160 PolarHBondContact O-N 3.23Å
157E98.6Very high98.4Very high30 Ų3032.5 Ų32.514%0.1416%0.158CC..Hα-helixtrans-78.7-21.6-176.7-68.4-63.3165.200112.4P66 M145 C146 Y154 P155 N160 F161P66-E157 HydrophobicContact CB-CG 4.35Å; P66-E157 HydrophobicContact CG-CG 4.04Å; M145-E157 HydrophobicContact CG-CB 4.21Å; M145-E157 HydrophobicContact CG-CG 4.38Å; M145-E157 WeakPolarHBondContact CG-OE2 3.46Å; M145-E157 VanDerWaalsContact O-CB 3.26Å; M145-E157 WeakPolarHBondContact O-CB 3.37Å; M145-E157 VanDerWaalsContact O-CG 3.27Å; M145-E157 WeakPolarHBondContact O-CG 3.4Å; C146-E157 HydrophobicContact CB-CB 4.49Å; C146-E157 VanDerWaalsContact SG-C 3.54Å; C146-E157 PolarHBondContact SG-O 3.44Å; Y154-E157 PolarHBondContact O-N 3.44Å; P155-E157 VanDerWaalsContact C-N 3.25Å; P155-E157 PolarHBondContact O-N 3.46Å; P155-E157 VanDerWaalsContact O-N 3.16Å; E157-N160 WeakPolarHBondContact O-CB 3.43Å; E157-N160 PolarHBondContact O-N 2.81Å; E157-N160 VanDerWaalsContact OE2-CB 3.32Å; E157-N160 WeakPolarHBondContact OE2-CB 3.49Å; E157-N160 PolarHBondContact OE2-ND2 2.66Å; E157-F161 WeakPolarHBondContact O-CB 2.9Å; E157-F161 PolarHBondContact O-N 3.42Å
158A98.8Very high98.4Very high0 Ų031.7 Ų31.70%015%0.15CC..Hα-helixtrans-61.8-48.7169.300000112.1W109 A113 L138 Y154 P155 A156 N160 F161 W162W109-A158 HydrophobicContact CE3-CB 4.11Å; W109-A158 HydrophobicContact CZ3-CB 4.18Å; A113-A158 HydrophobicContact CB-CB 3.65Å; L138-A158 HydrophobicContact CD1-CB 4.12Å; L138-A158 HydrophobicContact CD2-CB 3.6Å; L138-A158 HydrophobicContact CG-CB 4.37Å; Y154-A158 PolarHBondContact O-N 3.39Å; P155-A158 VanDerWaalsContact O-CB 3.28Å; P155-A158 WeakPolarHBondContact O-CB 3.32Å; P155-A158 PolarHBondContact O-N 3.2Å; A156-A158 VanDerWaalsContact C-N 3.34Å; A158-N160 VanDerWaalsContact C-N 3.29Å; A158-N160 PolarHBondContact O-N 2.94Å; A158-F161 PolarHBondContact O-N 2.79Å; A158-W162 PolarHBondContact O-N 3.26Å
159W98.8Very high98.5Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-64.9-35.3175.8-68.582.6000111.8A116 I117 P155 W162 T163 E250 G328A116-W159 HydrophobicContact CB-CH2 3.98Å; A116-W159 HydrophobicContact CB-CZ2 3.84Å; I117-W159 HydrophobicContact CD1-CE3 4.37Å; I117-W159 HydrophobicContact CD1-CZ3 4.48Å; I117-W159 HydrophobicContact CG1-CE3 4.02Å; I117-W159 HydrophobicContact CG1-CH2 3.84Å; I117-W159 HydrophobicContact CG1-CZ2 4.34Å; I117-W159 HydrophobicContact CG1-CZ3 3.65Å; P155-W159 PolarHBondContact O-N 2.88Å; W159-W162 AromaticContact CE3-CE3 3.78Å; W159-W162 HydrophobicContact CE3-CE3 3.78Å; W159-W162 AromaticContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CZ3-CE3 4.25Å; W159-W162 HydrophobicContact CZ3-CH2 4.45Å; W159-W162 AromaticContact CZ3-CZ3 3.8Å; W159-W162 HydrophobicContact CZ3-CZ3 3.8Å; W159-W162 PolarHBondContact O-N 3.39Å; W159-T163 WeakPolarHBondContact O-CG2 3.24Å; W159-T163 PolarHBondContact O-N 2.89Å; W159-T163 PolarHBondContact O-OG1 2.83Å; W159-E250 HydrophobicContact CZ2-CB 4.12Å; W159-E250 PolarHBondContact NE1-OE2 2.91Å; W159-G328 VanDerWaalsContact CE3-N 3.29Å
160N98.3Very high98.5Very high45 Ų4527 Ų2724%0.24112%0.123CC..Hα-helixtrans-65.1-40.1173.3-113.1-9.4000112.3A156 E157 A158 T163 R164 S229A156-N160 PolarHBondContact O-N 3.23Å; E157-N160 WeakPolarHBondContact O-CB 3.43Å; E157-N160 PolarHBondContact O-N 2.81Å; E157-N160 VanDerWaalsContact OE2-CB 3.32Å; E157-N160 WeakPolarHBondContact OE2-CB 3.49Å; E157-N160 PolarHBondContact OE2-ND2 2.66Å; A158-N160 VanDerWaalsContact C-N 3.29Å; A158-N160 PolarHBondContact O-N 2.94Å; N160-T163 PolarHBondContact O-N 3.13Å; N160-T163 PolarHBondContact O-OG1 2.86Å; N160-R164 WeakPolarHBondContact O-CB 3.47Å; N160-R164 WeakPolarHBondContact O-CG 3.22Å; N160-R164 PolarHBondContact O-N 3.21Å; N160-S229 PolarHBondContact OD1-OG 3.02Å
161F98.8Very high98.5Very high13 Ų1327 Ų276%0.05712%0.124CC..Hα-helixtrans-64.7-42.5174.9-176.3-97.1000111.3L138 C141 C142 E157 A158 T163 R164 K165 G166 L167L138-F161 HydrophobicContact CD1-CB 4.02Å; L138-F161 HydrophobicContact CD1-CD1 3.65Å; L138-F161 HydrophobicContact CD1-CE1 4.47Å; L138-F161 HydrophobicContact CD1-CG 4.1Å; C141-F161 HydrophobicContact CB-CZ 4.12Å; C141-F161 WeakPolarHBondContact O-CE2 3.29Å; C142-F161 HydrophobicContact CB-CB 4.36Å; C142-F161 HydrophobicContact CB-CD1 4.43Å; C142-F161 HydrophobicContact CB-CD2 3.87Å; C142-F161 HydrophobicContact CB-CE2 4.23Å; C142-F161 HydrophobicContact CB-CG 3.96Å; E157-F161 WeakPolarHBondContact O-CB 2.9Å; E157-F161 PolarHBondContact O-N 3.42Å; A158-F161 PolarHBondContact O-N 2.79Å; F161-T163 VanDerWaalsContact C-N 3.34Å; F161-T163 PolarHBondContact O-N 3.31Å; F161-R164 PolarHBondContact O-N 3.41Å; F161-K165 HydrophobicContact CD1-CB 4.49Å; F161-K165 HydrophobicContact CD2-CB 4.11Å; F161-K165 HydrophobicContact CD2-CG 4.05Å; F161-K165 HydrophobicContact CE1-CB 4.15Å; F161-K165 HydrophobicContact CE2-CB 3.73Å; F161-K165 HydrophobicContact CE2-CG 3.7Å; F161-K165 HydrophobicContact CG-CB 4.49Å; F161-K165 HydrophobicContact CZ-CB 3.76Å; F161-K165 HydrophobicContact CZ-CG 4.22Å; F161-K165 PolarHBondContact O-N 3.21Å; F161-G166 PolarHBondContact O-N 3.07Å; F161-L167 HydrophobicContact CD1-CD2 3.78Å; F161-L167 HydrophobicContact CD1-CG 4.45Å; F161-L167 HydrophobicContact CE1-CD2 3.69Å
162W98.8Very high98.5Very high0 Ų026.4 Ų26.40%012%0.12CC..Hα-helixtrans-59.1-41.6175.3172.559.5000112.9I117 A158 W159 G166 L167 H224 G226 P330I117-W162 HydrophobicContact CD1-CB 3.93Å; I117-W162 HydrophobicContact CD1-CD2 3.78Å; I117-W162 HydrophobicContact CD1-CE3 4.11Å; I117-W162 HydrophobicContact CD1-CG 3.73Å; I117-W162 HydrophobicContact CG1-CD2 4.07Å; I117-W162 HydrophobicContact CG1-CE3 4.18Å; I117-W162 HydrophobicContact CG1-CG 4.49Å; I117-W162 HydrophobicContact CG1-CZ2 4.47Å; I117-W162 HydrophobicContact CG1-CZ3 4.42Å; I117-W162 HydrophobicContact CG2-CD2 4.2Å; I117-W162 HydrophobicContact CG2-CH2 4.47Å; I117-W162 HydrophobicContact CG2-CZ2 3.74Å; A158-W162 PolarHBondContact O-N 3.26Å; W159-W162 AromaticContact CE3-CE3 3.78Å; W159-W162 HydrophobicContact CE3-CE3 3.78Å; W159-W162 AromaticContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CE3-CZ3 3.7Å; W159-W162 HydrophobicContact CZ3-CE3 4.25Å; W159-W162 HydrophobicContact CZ3-CH2 4.45Å; W159-W162 AromaticContact CZ3-CZ3 3.8Å; W159-W162 HydrophobicContact CZ3-CZ3 3.8Å; W159-W162 PolarHBondContact O-N 3.39Å; W162-G166 WeakPolarHBondContact O-CA 3.49Å; W162-G166 PolarHBondContact O-N 2.95Å; W162-L167 HydrophobicContact CB-CD1 4.04Å; W162-L167 HydrophobicContact CB-CG 4.4Å; W162-L167 HydrophobicContact CG-CD1 4.37Å; W162-H224 PolarHBondContact NE1-O 3.03Å; W162-G226 VanDerWaalsContact CD2-CA 3.48Å; W162-G226 VanDerWaalsContact CH2-CA 3.41Å; W162-G226 VanDerWaalsContact CZ3-CA 3.49Å; W162-G226 PolarHBondContact O-N 2.66Å; W162-P330 VanDerWaalsContact CH2-CA 3.46Å; W162-P330 HydrophobicContact CH2-CB 4.02Å; W162-P330 HydrophobicContact CZ2-CB 3.83Å
163T98.1Very high98.5Very high30 Ų3030.4 Ų30.418%0.18414%0.136CC..Hα-helixtrans-69.6-39.8175.656.80000112.4W159 N160 F161W159-T163 WeakPolarHBondContact O-CG2 3.24Å; W159-T163 PolarHBondContact O-N 2.89Å; W159-T163 PolarHBondContact O-OG1 2.83Å; N160-T163 PolarHBondContact O-N 3.13Å; N160-T163 PolarHBondContact O-OG1 2.86Å; F161-T163 VanDerWaalsContact C-N 3.34Å; F161-T163 PolarHBondContact O-N 3.31Å
164R97.8Very high98.4Very high152 Ų15236.8 Ų36.857%0.57417%0.166SC*.Hα-helixtrans-82.2-36.4-173.9-68.3177.369.9-174.63.6114.8N160 F161N160-R164 WeakPolarHBondContact O-CB 3.47Å; N160-R164 WeakPolarHBondContact O-CG 3.22Å; N160-R164 PolarHBondContact O-N 3.21Å; F161-R164 PolarHBondContact O-N 3.41Å
165K98.3Very high98.3Very high124 Ų12435.3 Ų35.354%0.53917%0.167SC..Hα-helixtrans-126.3-14.2-170.7-63.5-61.5-176.8-172.10113.3F161 K223 Y225F161-K165 HydrophobicContact CD1-CB 4.49Å; F161-K165 HydrophobicContact CD2-CB 4.11Å; F161-K165 HydrophobicContact CD2-CG 4.05Å; F161-K165 HydrophobicContact CE1-CB 4.15Å; F161-K165 HydrophobicContact CE2-CB 3.73Å; F161-K165 HydrophobicContact CE2-CG 3.7Å; F161-K165 HydrophobicContact CG-CB 4.49Å; F161-K165 HydrophobicContact CZ-CB 3.76Å; F161-K165 HydrophobicContact CZ-CG 4.22Å; F161-K165 PolarHBondContact O-N 3.21Å; K165-K223 WeakPolarHBondContact O-CD 3.33Å; K165-Y225 VanDerWaalsContact C-CE1 3.43Å; K165-Y225 WeakPolarHBondContact O-CE1 3.31Å
166G98.5Very high98.3Very high0 Ų041.8 Ų41.80%020%0.196CC..  trans68.4174-173.700000112.4F161 W162 K223 H224F161-G166 PolarHBondContact O-N 3.07Å; W162-G166 WeakPolarHBondContact O-CA 3.49Å; W162-G166 PolarHBondContact O-N 2.95Å; G166-K223 VanDerWaalsContact C-CD 3.42Å; G166-K223 WeakPolarHBondContact O-CD 3.33Å; G166-K223 PolarHBondContact O-NZ 3.3Å; G166-H224 CarbonylContact C-O 3.5Å; G166-H224 WeakPolarHBondContact CA-O 3.39Å
167L98.9Very high98.3Very high0 Ų044.5 Ų44.50%021%0.212CC..BIsolated β-bridgetrans-133.3141.1176.3-68.5170.2000109.9V114 I117 V133 D137 L138 F161 W162 H224V114-L167 HydrophobicContact CG1-CD1 3.85Å; I117-L167 HydrophobicContact CD1-CD1 4.16Å; V133-L167 HydrophobicContact CG1-CB 3.42Å; V133-L167 VanDerWaalsContact CG1-CB 3.42Å; V133-L167 HydrophobicContact CG1-CD1 3.69Å; V133-L167 HydrophobicContact CG1-CG 4.19Å; D137-L167 HydrophobicContact CB-CD2 4.38Å; D137-L167 WeakPolarHBondContact OD2-CA 3.26Å; L138-L167 HydrophobicContact CB-CD1 4.23Å; L138-L167 HydrophobicContact CB-CD2 3.58Å; L138-L167 HydrophobicContact CD1-CD2 4.15Å; L138-L167 HydrophobicContact CD2-CD1 4.4Å; L138-L167 HydrophobicContact CG-CD2 4.4Å; F161-L167 HydrophobicContact CD1-CD2 3.78Å; F161-L167 HydrophobicContact CD1-CG 4.45Å; F161-L167 HydrophobicContact CE1-CD2 3.69Å; W162-L167 HydrophobicContact CB-CD1 4.04Å; W162-L167 HydrophobicContact CB-CG 4.4Å; W162-L167 HydrophobicContact CG-CD1 4.37Å; L167-H224 PolarHBondContact N-O 2.83Å; L167-H224 WeakPolarHBondContact O-CB 3.33Å; L167-H224 PolarHBondContact O-N 2.97Å
168V98.8Very high98.3Very high0 Ų043.6 Ų43.60%021%0.21CC..  trans-80.9169.4174.7-58.90000110.8S134 D137 C179 R180 Y219 D222 K223S134-V168 WeakPolarHBondContact CB-O 2.99Å; S134-V168 PolarHBondContact N-O 3.34Å; D137-V168 HydrophobicContact CB-CG2 3.78Å; D137-V168 PolarHBondContact OD2-N 2.84Å; V168-C179 HydrophobicContact CB-CB 3.84Å; V168-C179 HydrophobicContact CG2-CB 3.87Å; V168-R180 HydrophobicContact CG2-CB 4.11Å; V168-R180 HydrophobicContact CG2-CG 4.06Å; V168-Y219 HydrophobicContact CG1-CD2 3.64Å; V168-Y219 HydrophobicContact CG1-CE2 3.7Å; V168-Y219 HydrophobicContact CG1-CG 4.18Å; V168-Y219 VanDerWaalsContact CG1-O 3.22Å; V168-Y219 WeakPolarHBondContact CG1-O 2.94Å; V168-Y219 HydrophobicContact CG2-CD2 4.3Å; V168-Y219 HydrophobicContact CG2-CE2 4.18Å; V168-D222 HydrophobicContact CB-CB 4.3Å; V168-D222 HydrophobicContact CG1-CB 4.21Å; V168-K223 HydrophobicContact CG1-CD 3.76Å; V168-K223 HydrophobicContact CG1-CG 3.96Å
169S98.9Very high98.3Very high3 Ų343.6 Ų43.62%0.02121%0.21CC..BIsolated β-bridgetrans-69.5153.6168.964.80000111.8V131 E132 G178 C179 R180 Y215 D222V131-S169 VanDerWaalsContact CG2-CB 3.47Å; E132-S169 CarbonylContact O-C 3.36Å; E132-S169 WeakPolarHBondContact O-CA 3.44Å; S169-G178 WeakPolarHBondContact OG-CA 3.27Å; S169-C179 WeakPolarHBondContact O-CA 3.41Å; S169-C179 WeakPolarHBondContact O-CB 3.38Å; S169-C179 PolarHBondContact O-N 3.45Å; S169-C179 PolarHBondContact OG-N 3.27Å; S169-R180 PolarHBondContact O-N 3.18Å; S169-Y215 PolarHBondContact OG-OH 3.4Å; S169-Y215 VanDerWaalsContact OG-OH 3.05Å; S169-D222 VanDerWaalsContact CB-OD2 3.3Å; S169-D222 WeakPolarHBondContact CB-OD2 3.48Å; S169-D222 PolarHBondContact N-OD2 2.94Å; S169-D222 PolarHBondContact OG-OD2 3.22Å
170G98.8Very high98.3Very high1 Ų144.5 Ų44.51%0.0121%0.213CC..  trans171.9117.7-179.100000111.9E132 V133 S134 V177 R180E132-G170 PolarHBondContact O-N 3.15Å; V133-G170 CarbonylContact C-O 3.52Å; S134-G170 WeakPolarHBondContact CA-O 3.44Å; G170-V177 CarbonylContact C-O 3.5Å; G170-V177 WeakPolarHBondContact CA-O 3.35Å; G170-R180 VanDerWaalsContact CA-O 3.24Å; G170-R180 WeakPolarHBondContact CA-O 3.24Å
171G98.5Very high98.3Very high3 Ų342.6 Ų42.63%0.03120%0.204CC..  trans-92.7-155.6-17900000114.6E132 V177 P181 Y182E132-G171 WeakPolarHBondContact OE2-CA 3.42Å; G171-V177 PolarHBondContact N-O 2.89Å; G171-P181 WeakPolarHBondContact O-CA 3.36Å; G171-Y182 PolarHBondContact O-N 3.09Å
172L98.1Very high98.3Very high67 Ų6742.5 Ų42.535%0.35120%0.203SC..SBendtrans-62.5163.3179.4-59.5175.1000112.8R100 E174 S175R100-L172 HydrophobicContact CB-CD2 3.91Å; R100-L172 HydrophobicContact CG-CD2 3.85Å; L172-E174 PolarHBondContact O-N 3.25Å; L172-S175 PolarHBondContact N-OG 2.86Å; L172-S175 VanDerWaalsContact O-CB 3.24Å; L172-S175 WeakPolarHBondContact O-CB 3.4Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 VanDerWaalsContact O-N 3.15Å; L172-S175 PolarHBondContact O-OG 3.47Å
173Y97.5Very high98.2Very high84 Ų8445.2 Ų45.233%0.32922%0.222SC..THydrogen-bonded Turntrans-52.5131.8172.9177.3-99.5000112.2S175 Y182 S183 P185Y173-S175 PolarHBondContact O-N 3.44Å; Y173-Y182 VanDerWaalsContact CA-O 3.27Å; Y173-Y182 WeakPolarHBondContact CA-O 3.49Å; Y173-Y182 WeakPolarHBondContact CD2-O 3.2Å; Y173-S183 WeakPolarHBondContact CE2-O 3.33Å; Y173-P185 HydrophobicContact CD1-CB 4.3Å; Y173-P185 HydrophobicContact CD2-CB 4.35Å; Y173-P185 HydrophobicContact CE1-CB 3.9Å; Y173-P185 HydrophobicContact CE2-CB 3.98Å
174E96.1Very high98.2Very high135 Ų13544.9 Ų44.963%0.63122%0.219SC*.THydrogen-bonded Turntrans53.119.6-178-69.9-171.4146.500115.4L172 H176L172-E174 PolarHBondContact O-N 3.25Å; E174-H176 VanDerWaalsContact C-N 3.32Å
175S97.7Very high98Very high43 Ų4339.9 Ų39.930%0.30121%0.206SC..  trans-74.9-23.2176.264.20000113.4L172 Y173 V177L172-S175 PolarHBondContact N-OG 2.86Å; L172-S175 VanDerWaalsContact O-CB 3.24Å; L172-S175 WeakPolarHBondContact O-CB 3.4Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 VanDerWaalsContact O-N 3.15Å; L172-S175 PolarHBondContact O-OG 3.47Å; Y173-S175 PolarHBondContact O-N 3.44Å; S175-V177 PolarHBondContact O-N 3.36Å; S175-V177 PolarHBondContact OG-N 3.24Å
176H97.8Very high97.7Very high142 Ų14235.3 Ų35.366%0.65719%0.189SC*.  trans54.325.6-167.9-52.3-61.8000113.6E174 E212E174-H176 VanDerWaalsContact C-N 3.32Å; H176-E212 IonicContact ND1-OE2 3.51Å; H176-E212 PolarHBondContact ND1-OE2 2.97Å
177V98.3Very high97.2Very high63 Ų6335.5 Ų35.538%0.38219%0.19SC..  trans-96.6120.3178177.60000110.3G170 G171 S175G170-V177 CarbonylContact C-O 3.5Å; G170-V177 WeakPolarHBondContact CA-O 3.35Å; G171-V177 PolarHBondContact N-O 2.89Å; S175-V177 PolarHBondContact O-N 3.36Å; S175-V177 PolarHBondContact OG-N 3.24Å
178G98.4Very high96.2Very high10 Ų1036.9 Ų36.910%0.10320%0.197CC..SBendtrans86.2-174.6175.500000114.5S169 Y215S169-G178 WeakPolarHBondContact OG-CA 3.27Å; G178-Y215 VanDerWaalsContact C-CE2 3.47Å; G178-Y215 VanDerWaalsContact CA-CE2 3.48Å; G178-Y215 WeakPolarHBondContact O-CD2 3.5Å
179C98.8Very high95.4Very high0 Ų037 Ų370%020%0.197CC..SBendtrans-69.5-48-176.6174.30000112.6V168 S169 C211 E212 Y215 D222V168-C179 HydrophobicContact CB-CB 3.84Å; V168-C179 HydrophobicContact CG2-CB 3.87Å; S169-C179 WeakPolarHBondContact O-CA 3.41Å; S169-C179 WeakPolarHBondContact O-CB 3.38Å; S169-C179 PolarHBondContact O-N 3.45Å; S169-C179 PolarHBondContact OG-N 3.27Å; C179-C211 HydrophobicContact CB-CB 3.81Å; C179-C211 WeakPolarHBondContact CB-SG 3.19Å; C179-C211 CarbonylContact O-C 3.58Å; C179-C211 WeakPolarHBondContact O-CA 3.33Å; C179-C211 WeakPolarHBondContact O-CB 3.17Å; C179-C211 WeakPolarHBondContact SG-CA 3.48Å; C179-C211 WeakPolarHBondContact SG-CB 3.46Å; C179-C211 CovalentContact SG-SG 2.03Å; C179-C211 PolarHBondContact SG-SG 3.09Å; C179-E212 PolarHBondContact O-N 2.6Å; C179-Y215 HydrophobicContact CB-CD1 3.98Å; C179-Y215 HydrophobicContact CB-CE1 3.77Å; C179-D222 HydrophobicContact CB-CB 4.32Å; C179-D222 WeakPolarHBondContact CB-OD2 3.29Å
180R98.7Very high94.1Very high19 Ų1939.1 Ų39.17%0.07221%0.207CC..SBendtrans-133.681.4-179.2-65.4-166.770.8-155.2-5.3111S134 E136 T140 V168 S169 G170 S208S134-R180 WeakPolarHBondContact CB-O 3.32Å; S134-R180 PolarHBondContact OG-O 2.76Å; E136-R180 HydrophobicContact CG-CB 4.34Å; E136-R180 IonicContact OE1-NH2 2.69Å; E136-R180 PolarHBondContact OE1-NH2 3.09Å; T140-R180 PolarHBondContact OG1-NH1 2.97Å; V168-R180 HydrophobicContact CG2-CB 4.11Å; V168-R180 HydrophobicContact CG2-CG 4.06Å; S169-R180 PolarHBondContact O-N 3.18Å; G170-R180 VanDerWaalsContact CA-O 3.24Å; G170-R180 WeakPolarHBondContact CA-O 3.24Å; R180-S208 VanDerWaalsContact CD-O 3.26Å; R180-S208 WeakPolarHBondContact CD-O 3.44Å; R180-S208 VanDerWaalsContact CZ-O 3.22Å; R180-S208 PolarHBondContact NE-O 2.99Å; R180-S208 VanDerWaalsContact NE-O 3.16Å; R180-S208 PolarHBondContact NH1-O 2.93Å
181P98.7Very high92.8Very high5 Ų543.1 Ų43.13%0.03223%0.231CC..  trans-53.1157167.5-19.529.8000111.9G171 S183 E212G171-P181 WeakPolarHBondContact O-CA 3.36Å; P181-S183 PolarHBondContact O-N 3.31Å; P181-E212 WeakPolarHBondContact CD-OE1 3.41Å; P181-E212 WeakPolarHBondContact CG-OE1 3.22Å
182Y98.6Very high91.4Very high11 Ų1150.4 Ų50.44%0.04327%0.269CS..  trans-63.6130.3179-158.4-122.4000111.3Q102 S107 F111 A135 E136 L139 G171 Y173 I184Q102-Y182 PolarHBondContact O-OH 3.15Å; S107-Y182 PolarHBondContact OG-OH 3.47Å; F111-Y182 HydrophobicContact CE2-CD2 4.28Å; F111-Y182 HydrophobicContact CE2-CE1 4.08Å; F111-Y182 AromaticContact CE2-CE2 3.61Å; F111-Y182 HydrophobicContact CE2-CE2 3.61Å; F111-Y182 AromaticContact CE2-CZ 3.5Å; F111-Y182 VanDerWaalsContact CE2-CZ 3.5Å; F111-Y182 AromaticContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD1 3.97Å; F111-Y182 HydrophobicContact CZ-CD2 4.06Å; F111-Y182 AromaticContact CZ-CE1 3.64Å; F111-Y182 HydrophobicContact CZ-CE1 3.64Å; F111-Y182 AromaticContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CE2 3.76Å; F111-Y182 HydrophobicContact CZ-CG 4.17Å; F111-Y182 AromaticContact CZ-CZ 3.55Å; A135-Y182 HydrophobicContact CB-CD2 4.01Å; A135-Y182 HydrophobicContact CB-CE2 4.19Å; E136-Y182 HydrophobicContact CB-CD2 4.17Å; L139-Y182 HydrophobicContact CD2-CE2 3.84Å; G171-Y182 PolarHBondContact O-N 3.09Å; Y173-Y182 VanDerWaalsContact CA-O 3.27Å; Y173-Y182 WeakPolarHBondContact CA-O 3.49Å; Y173-Y182 WeakPolarHBondContact CD2-O 3.2Å; Y182-I184 HydrophobicContact CD1-CB 4.12Å; Y182-I184 WeakPolarHBondContact CD1-O 3.44Å; Y182-I184 HydrophobicContact CE1-CB 3.56Å; Y182-I184 HydrophobicContact CE1-CD1 4.49Å; Y182-I184 HydrophobicContact CE1-CG1 4.24Å; Y182-I184 HydrophobicContact CE1-CG2 4.4Å
183S97.7Very high90.2Very high57 Ų5749.8 Ų49.840%0.39928%0.279SS..  trans-93.4-13.6-174.166.60000114.3E136 Y173 P181 P205E136-S183 PolarHBondContact OE1-OG 2.84Å; E136-S183 VanDerWaalsContact OE1-OG 3.14Å; E136-S183 WeakPolarHBondContact OE2-CB 3.48Å; E136-S183 PolarHBondContact OE2-N 2.79Å; E136-S183 PolarHBondContact OE2-OG 2.62Å; Y173-S183 WeakPolarHBondContact CE2-O 3.33Å; P181-S183 PolarHBondContact O-N 3.31Å; S183-P205 WeakPolarHBondContact OG-CG 3.37Å
184I96.6Very high89.2Confident24 Ų2451.8 Ų51.812%0.12331%0.305CS..SBendtrans-90.4124.5-177.7-54.5-178.6000108.5C105 L139 Y182 P205C105-I184 HydrophobicContact CB-CD1 3.53Å; C105-I184 HydrophobicContact CB-CG2 4.45Å; L139-I184 HydrophobicContact CD2-CD1 4.2Å; Y182-I184 HydrophobicContact CD1-CB 4.12Å; Y182-I184 WeakPolarHBondContact CD1-O 3.44Å; Y182-I184 HydrophobicContact CE1-CB 3.56Å; Y182-I184 HydrophobicContact CE1-CD1 4.49Å; Y182-I184 HydrophobicContact CE1-CG1 4.24Å; Y182-I184 HydrophobicContact CE1-CG2 4.4Å; I184-P205 HydrophobicContact CD1-CG 4.1Å; I184-P205 HydrophobicContact CG1-CG 4.04Å
185P94.4Very high88.5Confident47 Ų4748.8 Ų48.831%0.30529%0.288SS..PPolyproline II helixtrans-68.3146.2-176.927-34.2000111.8Y173 P196Y173-P185 HydrophobicContact CD1-CB 4.3Å; Y173-P185 HydrophobicContact CD2-CB 4.35Å; Y173-P185 HydrophobicContact CE1-CB 3.9Å; Y173-P185 HydrophobicContact CE2-CB 3.98Å; P185-P196 HydrophobicContact CB-CG 4.45Å
186P92.9Very high87.7Confident28 Ų2849.9 Ų49.918%0.18229%0.294CS..PPolyproline II helixtrans-61.8149163.230.9-35.7000108.9D101 P196D101-P186 HydrophobicContact CB-CB 4.16Å; D101-P186 WeakPolarHBondContact OD2-CA 3.2Å; D101-P186 WeakPolarHBondContact OD2-CB 3.31Å; P186-P196 WeakPolarHBondContact O-CD 3.47Å
187C86.8Confident87Confident4 Ų448.3 Ų48.33%0.02730%0.296CS..  trans-118.8159.5-179.172.60000111.7Y54 H189 P196 C198Y54-C187 WeakPolarHBondContact CE2-SG 3.47Å; Y54-C187 PolarHBondContact OH-SG 2.78Å; C187-H189 PolarHBondContact O-CD2 3.26Å; C187-H189 PolarHBondContact O-N 3.32Å; C187-P196 CarbonylContact C-O 3.31Å; C187-P196 WeakPolarHBondContact CA-O 3.5Å; C187-P196 WeakPolarHBondContact CB-O 3.12Å; C187-C198 HydrophobicContact CB-CB 3.87Å; C187-C198 WeakPolarHBondContact CB-SG 3.32Å; C187-C198 WeakPolarHBondContact SG-CA 3.34Å; C187-C198 WeakPolarHBondContact SG-CB 3.39Å; C187-C198 CovalentContact SG-SG 2.03Å; C187-C198 PolarHBondContact SG-SG 2.86Å
188E79.1Confident86.3Confident29 Ų2945.8 Ų45.814%0.13628%0.281CS..BIsolated β-bridgetrans-87.7110.3-176.2-138.3109.7-111.300111.3V191 G193 S194 R195 P196 C198E188-V191 WeakPolarHBondContact CG-O 3.03Å; E188-G193 VanDerWaalsContact CD-C 3.49Å; E188-G193 WeakPolarHBondContact OE2-CA 3.47Å; E188-G193 PolarHBondContact OE2-N 2.9Å; E188-G193 VanDerWaalsContact OE2-N 3.15Å; E188-S194 PolarHBondContact OE2-N 3.04Å; E188-R195 HydrophobicContact CB-CB 3.98Å; E188-R195 VanDerWaalsContact CD-CB 3.41Å; E188-R195 HydrophobicContact CG-CB 4.25Å; E188-R195 WeakPolarHBondContact OE1-CB 3.46Å; E188-R195 WeakPolarHBondContact OE1-CD 3.47Å; E188-R195 WeakPolarHBondContact OE1-CG 3.32Å; E188-R195 PolarHBondContact OE1-N 3.12Å; E188-R195 VanDerWaalsContact OE1-N 3.16Å; E188-R195 WeakPolarHBondContact OE2-CA 3.44Å; E188-R195 PolarHBondContact OE2-N 3.3Å; E188-P196 PolarHBondContact N-O 2.88Å; E188-C198 VanDerWaalsContact C-SG 3.53Å; E188-C198 PolarHBondContact O-SG 2.97Å; E188-C198 VanDerWaalsContact O-SG 3.39Å
189H80.2Confident85.6Confident1 Ų148.7 Ų48.71%0.00530%0.297CS..  trans-124.1-15.6177.553.680.2000115.3N46 F47 Y48 V50 Y54 C187 D303N46-H189 CarbonylContact O-C 3.53Å; N46-H189 PolarHBondContact O-ND1 3.04Å; F47-H189 CarbonylContact C-O 3.38Å; F47-H189 WeakPolarHBondContact CA-O 3.39Å; F47-H189 HydrophobicContact CD1-CB 3.64Å; F47-H189 AromaticContact CD1-CG 3.81Å; F47-H189 AromaticContact CD1-ND1 3.87Å; F47-H189 HydrophobicContact CE1-CB 4.18Å; F47-H189 AromaticContact CE1-CG 3.87Å; F47-H189 AromaticContact CE1-ND1 3.78Å; Y48-H189 PolarHBondContact N-O 2.69Å; V50-H189 HydrophobicContact CG1-CB 3.63Å; Y54-H189 HydrophobicContact CE1-CB 4.42Å; Y54-H189 PolarHBondContact OH-CD2 3.49Å; C187-H189 PolarHBondContact O-CD2 3.26Å; C187-H189 PolarHBondContact O-N 3.32Å; H189-D303 IonicContact CE1-OD1 3.36Å; H189-D303 PolarHBondContact CE1-OD1 3.2Å; H189-D303 IonicContact NE2-OD1 3.13Å
190H72.9Confident84.6Confident49 Ų4949.2 Ų49.223%0.22730%0.303CS..SBendtrans-101.3-30.9-173.273.6-77.1000114.5N46 Y48 D303N46-H190 WeakPolarHBondContact O-CA 3.24Å; Y48-H190 WeakPolarHBondContact CD2-O 3.21Å; Y48-H190 WeakPolarHBondContact CE2-O 3.18Å; H190-D303 HydrophobicContact CB-CB 4.31Å; H190-D303 IonicContact CE1-OD2 3.44Å; H190-D303 PolarHBondContact CE1-OD2 3.15Å; H190-D303 IonicContact CG-OD2 2.69Å; H190-D303 VanDerWaalsContact ND1-CG 3.26Å; H190-D303 IonicContact ND1-OD2 2.56Å; H190-D303 PolarHBondContact ND1-OD2 3.49Å; H190-D303 IonicContact NE2-OD2 3.27Å
191V71.3Confident83.5Confident84 Ų8456 Ų5651%0.50934%0.335SS..SBendtrans-155.9168.9176.8-64.10000109.4E188 G193E188-V191 WeakPolarHBondContact CG-O 3.03Å; V191-G193 PolarHBondContact O-N 3.42Å
192N69.4Low82.9Confident157 Ų15757.6 Ų57.684%0.8435%0.353SS*.SBendtrans-63.7123.6165.4-81.2-11000109.8
193G72.1Confident82.7Confident54 Ų5464.3 Ų64.356%0.55739%0.39SS*.  trans-141-146176.600000112.2E188 V191E188-G193 VanDerWaalsContact CD-C 3.49Å; E188-G193 WeakPolarHBondContact OE2-CA 3.47Å; E188-G193 PolarHBondContact OE2-N 2.9Å; E188-G193 VanDerWaalsContact OE2-N 3.15Å; V191-G193 PolarHBondContact O-N 3.42Å
194S76.9Confident82.7Confident126 Ų12663.7 Ų63.788%0.88138%0.383SS*.SBendtrans-106.8-7178.957.80000115.5E188E188-S194 PolarHBondContact OE2-N 3.04Å
195R80.2Confident82.7Confident72 Ų7264.1 Ų64.127%0.27239%0.388SS..SBendtrans-75.2157175.6-55.7170.2-176.4165.14.5111.4E188 N301 D303E188-R195 HydrophobicContact CB-CB 3.98Å; E188-R195 VanDerWaalsContact CD-CB 3.41Å; E188-R195 HydrophobicContact CG-CB 4.25Å; E188-R195 WeakPolarHBondContact OE1-CB 3.46Å; E188-R195 WeakPolarHBondContact OE1-CD 3.47Å; E188-R195 WeakPolarHBondContact OE1-CG 3.32Å; E188-R195 PolarHBondContact OE1-N 3.12Å; E188-R195 VanDerWaalsContact OE1-N 3.16Å; E188-R195 WeakPolarHBondContact OE2-CA 3.44Å; E188-R195 PolarHBondContact OE2-N 3.3Å; R195-N301 VanDerWaalsContact CZ-ND2 3.29Å; R195-N301 PolarHBondContact NH1-ND2 3.04Å; R195-N301 VanDerWaalsContact NH1-ND2 3.15Å; R195-N301 PolarHBondContact NH2-ND2 3.41Å; R195-N301 PolarHBondContact NH2-OD1 3.4Å; R195-D303 IonicContact CZ-OD2 3.95Å; R195-D303 IonicContact NH1-OD2 3.78Å; R195-D303 PolarHBondContact NH1-OD2 3.42Å; R195-D303 IonicContact NH2-OD2 2.99Å
196P82.1Confident82.9Confident65 Ų6570.6 Ų70.642%0.42241%0.411SS..PPolyproline II helixtrans-63.1155.7175.9-22.434.2000113.3P185 P186 C187 E188P185-P196 HydrophobicContact CB-CG 4.45Å; P186-P196 WeakPolarHBondContact O-CD 3.47Å; C187-P196 CarbonylContact C-O 3.31Å; C187-P196 WeakPolarHBondContact CA-O 3.5Å; C187-P196 WeakPolarHBondContact CB-O 3.12Å; E188-P196 PolarHBondContact N-O 2.88Å
197P82.8Confident83.2Confident109 Ų10971.9 Ų71.971%0.70842%0.42SS*.BIsolated β-bridgetrans-58.8138.8170.6-21.532.3000112.1T199P197-T199 PolarHBondContact O-N 3.02Å
198C84Confident83.7Confident10 Ų1074.4 Ų74.47%0.06844%0.438CS..  trans-74.2111.5175-62.60000111.6V50 Y54 C187 E188V50-C198 HydrophobicContact CB-CB 4.47Å; V50-C198 HydrophobicContact CG1-CB 3.95Å; Y54-C198 HydrophobicContact CD1-CB 3.73Å; Y54-C198 HydrophobicContact CD2-CB 3.8Å; Y54-C198 HydrophobicContact CE1-CB 3.71Å; Y54-C198 HydrophobicContact CE2-CB 3.8Å; Y54-C198 HydrophobicContact CG-CB 3.76Å; Y54-C198 VanDerWaalsContact CZ-SG 3.55Å; C187-C198 HydrophobicContact CB-CB 3.87Å; C187-C198 WeakPolarHBondContact CB-SG 3.32Å; C187-C198 WeakPolarHBondContact SG-CA 3.34Å; C187-C198 WeakPolarHBondContact SG-CB 3.39Å; C187-C198 CovalentContact SG-SG 2.03Å; C187-C198 PolarHBondContact SG-SG 2.86Å; E188-C198 VanDerWaalsContact C-SG 3.53Å; E188-C198 PolarHBondContact O-SG 2.97Å; E188-C198 VanDerWaalsContact O-SG 3.39Å
199T82.7Confident84.6Confident72 Ų7280.1 Ų80.144%0.44246%0.462SS..  trans-105.4154.2170.668.60000110.1Y54 S104 P197 E201Y54-T199 WeakPolarHBondContact CD2-O 3.44Å; S104-T199 WeakPolarHBondContact CB-O 3.27Å; S104-T199 PolarHBondContact OG-N 2.92Å; S104-T199 PolarHBondContact OG-O 2.64Å; P197-T199 PolarHBondContact O-N 3.02Å; T199-E201 PolarHBondContact O-N 3.22Å; T199-E201 PolarHBondContact OG1-O 3.38Å
200G77.8Confident85.5Confident11 Ų1185.8 Ų85.811%0.11349%0.491CS..SBendtrans-83.813.1170.200000113.6S53 R57S53-G200 WeakPolarHBondContact OG-CA 3.44Å; R57-G200 WeakPolarHBondContact CD-O 3.33Å
201E77.1Confident86.8Confident160 Ų16084.4 Ų84.475%0.74849%0.487SS*.  trans-111.2143-176.2-61-159.7160.900110.6T199T199-E201 PolarHBondContact O-N 3.22Å; T199-E201 PolarHBondContact OG1-O 3.38Å
202G84.4Confident88Confident39 Ų3983.9 Ų83.940%0.40248%0.479SS..  trans156.7129.5177.400000111.7R57R57-G202 PolarHBondContact NH2-O 3.21Å
203D94.2Very high89.4Confident153 Ų15382.7 Ų82.782%0.81848%0.48SS*.PPolyproline II helixtrans-80.5154.2179.7-67.7-40.4000112P205D203-P205 WeakPolarHBondContact O-CD 3.45Å
204T97.8Very high90.6Very high44 Ų4484.3 Ų84.327%0.2750%0.497SS..PPolyproline II helixtrans-62.4124.7168-52.10000109.3L139 G149 C150L139-T204 HydrophobicContact CD1-CG2 4.14Å; L139-T204 HydrophobicContact CG-CG2 4.14Å; G149-T204 WeakPolarHBondContact CA-OG1 3.48Å; C150-T204 PolarHBondContact N-OG1 2.88Å
205P98Very high91.6Very high33 Ų3381.7 Ų81.721%0.21447%0.468CS..PPolyproline II helixtrans-59157.2176.2-20.730.4000111.9T140 S183 I184 D203T140-P205 WeakPolarHBondContact CB-O 3.48Å; T140-P205 HydrophobicContact CG2-CB 3.8Å; T140-P205 HydrophobicContact CG2-CG 4.27Å; T140-P205 WeakPolarHBondContact CG2-O 3.49Å; S183-P205 WeakPolarHBondContact OG-CG 3.37Å; I184-P205 HydrophobicContact CD1-CG 4.1Å; I184-P205 HydrophobicContact CG1-CG 4.04Å; D203-P205 WeakPolarHBondContact O-CD 3.45Å
206K98.1Very high92.4Very high182 Ų18283.2 Ų83.279%0.79149%0.49SS*.PPolyproline II helixtrans-74.2143.5-179.5-64.5-175.6-178.1177.80111.1S208K206-S208 PolarHBondContact O-N 3.48Å
207C98.6Very high93.1Very high55 Ų5582.4 Ų82.437%0.37248%0.484SS..  trans-62.4102.5169.9178.60000111.5T140 C141T140-C207 WeakPolarHBondContact O-CB 3.23Å; C141-C207 VanDerWaalsContact CA-SG 3.56Å; C141-C207 HydrophobicContact CB-CB 4Å; C141-C207 WeakPolarHBondContact CB-SG 3.37Å; C141-C207 VanDerWaalsContact SG-CA 3.54Å; C141-C207 WeakPolarHBondContact SG-CB 3.39Å; C141-C207 CovalentContact SG-SG 2.04Å; C141-C207 PolarHBondContact SG-SG 3.13Å
208S98.4Very high93.8Very high57 Ų5781 Ų8140%0.39947%0.474SS..  trans-103106.1174.9-70.60000109.6R180 K206 I210R180-S208 VanDerWaalsContact CD-O 3.26Å; R180-S208 WeakPolarHBondContact CD-O 3.44Å; R180-S208 VanDerWaalsContact CZ-O 3.22Å; R180-S208 PolarHBondContact NE-O 2.99Å; R180-S208 VanDerWaalsContact NE-O 3.16Å; R180-S208 PolarHBondContact NH1-O 2.93Å; K206-S208 PolarHBondContact O-N 3.48Å; S208-I210 PolarHBondContact O-N 2.7Å
209K98.6Very high94.5Very high149 Ų14981.6 Ų81.665%0.64848%0.475SS*.  trans-83.549.4-179.2-63.9-177.8179.41720112.5Y219K209-Y219 HydrophobicContact CB-CD1 3.94Å; K209-Y219 HydrophobicContact CB-CE1 3.75Å; K209-Y219 HydrophobicContact CB-CE2 4.42Å; K209-Y219 HydrophobicContact CB-CG 4.37Å; K209-Y219 HydrophobicContact CD-CE1 4.31Å; K209-Y219 HydrophobicContact CG-CE1 3.89Å
210I98.6Very high95.2Very high121 Ų12186.5 Ų86.562%0.62149%0.49SS*.SBendtrans-143.8145-178.8-169.1167.3000108.8S208S208-I210 PolarHBondContact O-N 2.7Å
211C98.7Very high96.1Very high19 Ų1991.4 Ų91.413%0.12851%0.51CS..PPolyproline II helixtrans-82.5160.8174.2-55.60000111.1C179 Y215 Y219C179-C211 HydrophobicContact CB-CB 3.81Å; C179-C211 WeakPolarHBondContact CB-SG 3.19Å; C179-C211 CarbonylContact O-C 3.58Å; C179-C211 WeakPolarHBondContact O-CA 3.33Å; C179-C211 WeakPolarHBondContact O-CB 3.17Å; C179-C211 WeakPolarHBondContact SG-CA 3.48Å; C179-C211 WeakPolarHBondContact SG-CB 3.46Å; C179-C211 CovalentContact SG-SG 2.03Å; C179-C211 PolarHBondContact SG-SG 3.09Å; C211-Y215 HydrophobicContact CB-CD1 3.9Å; C211-Y215 HydrophobicContact CB-CG 4.46Å; C211-Y219 WeakPolarHBondContact SG-CA 3.36Å; C211-Y219 PolarHBondContact SG-N 3.45Å
212E98Very high97.1Very high73 Ų7384.3 Ų84.334%0.34148%0.477SS..PPolyproline II helixtrans-56.2144170.6-83.2-172-16200111.8H176 C179 P181 G214 Y215H176-E212 IonicContact ND1-OE2 3.51Å; H176-E212 PolarHBondContact ND1-OE2 2.97Å; C179-E212 PolarHBondContact O-N 2.6Å; P181-E212 WeakPolarHBondContact CD-OE1 3.41Å; P181-E212 WeakPolarHBondContact CG-OE1 3.22Å; E212-G214 PolarHBondContact O-N 2.75Å; E212-Y215 WeakPolarHBondContact O-CB 3.2Å; E212-Y215 PolarHBondContact O-N 3.28Å
213P97.8Very high97.8Very high133 Ų13383.3 Ų83.386%0.86446%0.462SS*.THydrogen-bonded Turntrans-54.8138.3174.7-24.234.1000112Y215P213-Y215 VanDerWaalsContact C-N 3.31Å
214G97.2Very high98Very high88 Ų8877 Ų7791%0.90743%0.427SS*.THydrogen-bonded Turntrans90.7-14.5-177.800000114.2E212E212-G214 PolarHBondContact O-N 2.75Å
215Y98.1Very high98Very high71 Ų7177.9 Ų77.928%0.27843%0.426SS..  trans-81.7144.4172.6-170.5-97000112.2S169 G178 C179 C211 E212 P213 P217 D222S169-Y215 PolarHBondContact OG-OH 3.4Å; S169-Y215 VanDerWaalsContact OG-OH 3.05Å; G178-Y215 VanDerWaalsContact C-CE2 3.47Å; G178-Y215 VanDerWaalsContact CA-CE2 3.48Å; G178-Y215 WeakPolarHBondContact O-CD2 3.5Å; C179-Y215 HydrophobicContact CB-CD1 3.98Å; C179-Y215 HydrophobicContact CB-CE1 3.77Å; C211-Y215 HydrophobicContact CB-CD1 3.9Å; C211-Y215 HydrophobicContact CB-CG 4.46Å; E212-Y215 WeakPolarHBondContact O-CB 3.2Å; E212-Y215 PolarHBondContact O-N 3.28Å; P213-Y215 VanDerWaalsContact C-N 3.31Å; Y215-P217 WeakPolarHBondContact CD1-O 3.42Å; Y215-D222 HydrophobicContact CE1-CB 4.39Å; Y215-D222 WeakPolarHBondContact CE1-OD1 3.47Å; Y215-D222 PolarHBondContact OH-OD1 2.65Å
216S97.3Very high98Very high104 Ų10476.6 Ų76.673%0.72742%0.419SS*.  trans-141.2139.2165.5-73.90000107.7
217P96.6Very high97.9Very high47 Ų4776.2 Ų76.231%0.30541%0.414SS..SBendcis-86.6-173.417.937.6-39.9000114.7Y215 Q221 D222Y215-P217 WeakPolarHBondContact CD1-O 3.42Å; P217-Q221 HydrophobicContact CB-CB 3.73Å; P217-Q221 HydrophobicContact CG-CB 4.13Å; P217-D222 HydrophobicContact CG-CB 4.06Å
218T98.3Very high97.8Very high80 Ų8076.6 Ų76.649%0.49141%0.412SS..  trans-69.5160177.566.20000112.3K220 Q221 D222T218-K220 PolarHBondContact O-N 3.31Å; T218-Q221 VanDerWaalsContact N-OE1 3.07Å; T218-Q221 WeakPolarHBondContact O-CA 3.16Å; T218-Q221 WeakPolarHBondContact O-CB 3.41Å; T218-Q221 PolarHBondContact O-N 3.08Å; T218-Q221 VanDerWaalsContact OG1-CD 3.29Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.18Å; T218-Q221 PolarHBondContact OG1-OE1 3.32Å; T218-D222 PolarHBondContact O-N 3.37Å
219Y98.6Very high97.8Very high22 Ų2274.6 Ų74.69%0.08640%0.398CS..THydrogen-bonded Turntrans-48.3-40.4179.2172.8-87.9000114.1D137 V168 K209 C211 K223D137-Y219 WeakPolarHBondContact OD1-CE2 3.45Å; D137-Y219 PolarHBondContact OD1-OH 2.5Å; V168-Y219 HydrophobicContact CG1-CD2 3.64Å; V168-Y219 HydrophobicContact CG1-CE2 3.7Å; V168-Y219 HydrophobicContact CG1-CG 4.18Å; V168-Y219 VanDerWaalsContact CG1-O 3.22Å; V168-Y219 WeakPolarHBondContact CG1-O 2.94Å; V168-Y219 HydrophobicContact CG2-CD2 4.3Å; V168-Y219 HydrophobicContact CG2-CE2 4.18Å; K209-Y219 HydrophobicContact CB-CD1 3.94Å; K209-Y219 HydrophobicContact CB-CE1 3.75Å; K209-Y219 HydrophobicContact CB-CE2 4.42Å; K209-Y219 HydrophobicContact CB-CG 4.37Å; K209-Y219 HydrophobicContact CD-CE1 4.31Å; K209-Y219 HydrophobicContact CG-CE1 3.89Å; C211-Y219 WeakPolarHBondContact SG-CA 3.36Å; C211-Y219 PolarHBondContact SG-N 3.45Å; Y219-K223 VanDerWaalsContact CZ-CE 3.48Å; Y219-K223 WeakPolarHBondContact OH-CE 3.33Å; Y219-K223 PolarHBondContact OH-NZ 2.77Å; Y219-K223 VanDerWaalsContact OH-NZ 3.12Å
220K97.8Very high97.8Very high175 Ų17568 Ų6876%0.76137%0.369SS*.THydrogen-bonded Turntrans-73.1-33.6179-70.3-177.8-179.2175.90112.8T218T218-K220 PolarHBondContact O-N 3.31Å
221Q96.8Very high97.8Very high115 Ų11563 Ų6354%0.53734%0.344SS..THydrogen-bonded Turntrans-79.1-25-178.6-72.2168.5-44.200112.5P217 T218 K223P217-Q221 HydrophobicContact CB-CB 3.73Å; P217-Q221 HydrophobicContact CG-CB 4.13Å; T218-Q221 VanDerWaalsContact N-OE1 3.07Å; T218-Q221 WeakPolarHBondContact O-CA 3.16Å; T218-Q221 WeakPolarHBondContact O-CB 3.41Å; T218-Q221 PolarHBondContact O-N 3.08Å; T218-Q221 VanDerWaalsContact OG1-CD 3.29Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.18Å; T218-Q221 PolarHBondContact OG1-OE1 3.32Å; Q221-K223 VanDerWaalsContact C-N 3.31Å
222D97.7Very high97.7Very high11 Ų1162.4 Ų62.46%0.05934%0.341CS..THydrogen-bonded Turntrans-83.7-1.1178.8-156.767.1000113.5V168 S169 C179 Y215 P217 T218 H224V168-D222 HydrophobicContact CB-CB 4.3Å; V168-D222 HydrophobicContact CG1-CB 4.21Å; S169-D222 VanDerWaalsContact CB-OD2 3.3Å; S169-D222 WeakPolarHBondContact CB-OD2 3.48Å; S169-D222 PolarHBondContact N-OD2 2.94Å; S169-D222 PolarHBondContact OG-OD2 3.22Å; C179-D222 HydrophobicContact CB-CB 4.32Å; C179-D222 WeakPolarHBondContact CB-OD2 3.29Å; Y215-D222 HydrophobicContact CE1-CB 4.39Å; Y215-D222 WeakPolarHBondContact CE1-OD1 3.47Å; Y215-D222 PolarHBondContact OH-OD1 2.65Å; P217-D222 HydrophobicContact CG-CB 4.06Å; T218-D222 PolarHBondContact O-N 3.37Å; D222-H224 PolarHBondContact O-CD2 3.32Å; D222-H224 PolarHBondContact O-N 3.42Å; D222-H224 PolarHBondContact O-NE2 2.9Å
223K98.2Very high97.6Very high18 Ų1859.6 Ų59.68%0.07833%0.329CS..  trans-70.6126.3-179.4-80.1-73-171.9-1790112D137 K165 G166 V168 Y219 Q221 Y225D137-K223 IonicContact OD1-NZ 2.57Å; D137-K223 IonicContact OD2-NZ 3.81Å; D137-K223 PolarHBondContact OD2-NZ 3.47Å; K165-K223 WeakPolarHBondContact O-CD 3.33Å; G166-K223 VanDerWaalsContact C-CD 3.42Å; G166-K223 WeakPolarHBondContact O-CD 3.33Å; G166-K223 PolarHBondContact O-NZ 3.3Å; V168-K223 HydrophobicContact CG1-CD 3.76Å; V168-K223 HydrophobicContact CG1-CG 3.96Å; Y219-K223 VanDerWaalsContact CZ-CE 3.48Å; Y219-K223 WeakPolarHBondContact OH-CE 3.33Å; Y219-K223 PolarHBondContact OH-NZ 2.77Å; Y219-K223 VanDerWaalsContact OH-NZ 3.12Å; Q221-K223 VanDerWaalsContact C-N 3.31Å; K223-Y225 HydrophobicContact CB-CD2 4.31Å; K223-Y225 HydrophobicContact CB-CE2 3.49Å; K223-Y225 VanDerWaalsContact CB-CE2 3.49Å; K223-Y225 WeakPolarHBondContact O-CD2 3.49Å; K223-Y225 WeakPolarHBondContact O-CE2 3.24Å
224H98.3Very high97.6Very high19 Ų1957.6 Ų57.69%0.08831%0.311CS..BIsolated β-bridgetrans-101.3124.9171.5-60.5-95000110.1I121 W162 G166 L167 D222 Y335I121-H224 HydrophobicContact CD1-CB 4.04Å; W162-H224 PolarHBondContact NE1-O 3.03Å; G166-H224 CarbonylContact C-O 3.5Å; G166-H224 WeakPolarHBondContact CA-O 3.39Å; L167-H224 PolarHBondContact N-O 2.83Å; L167-H224 WeakPolarHBondContact O-CB 3.33Å; L167-H224 PolarHBondContact O-N 2.97Å; D222-H224 PolarHBondContact O-CD2 3.32Å; D222-H224 PolarHBondContact O-N 3.42Å; D222-H224 PolarHBondContact O-NE2 2.9Å; H224-Y335 AromaticContact CE1-CE1 3.74Å; H224-Y335 AromaticContact ND1-CE1 3.29Å; H224-Y335 VanDerWaalsContact ND1-CE1 3.29Å; H224-Y335 WeakPolarHBondContact ND1-CE1 3.46Å; H224-Y335 AromaticContact ND1-CZ 3.49Å; H224-Y335 PolarHBondContact ND1-OH 2.8Å
225Y98.4Very high97.5Very high64 Ų6455.2 Ų55.225%0.25128%0.281SS..  trans-108.3147.2-176.2-63.2-98.6000112.9K165 K223 R331 Q334K165-Y225 VanDerWaalsContact C-CE1 3.43Å; K165-Y225 WeakPolarHBondContact O-CE1 3.31Å; K223-Y225 HydrophobicContact CB-CD2 4.31Å; K223-Y225 HydrophobicContact CB-CE2 3.49Å; K223-Y225 VanDerWaalsContact CB-CE2 3.49Å; K223-Y225 WeakPolarHBondContact O-CD2 3.49Å; K223-Y225 WeakPolarHBondContact O-CE2 3.24Å; Y225-R331 VanDerWaalsContact O-CB 3.32Å; Y225-R331 WeakPolarHBondContact O-CB 3.42Å; Y225-R331 PolarHBondContact O-N 3.37Å; Y225-Q334 PolarHBondContact O-NE2 3.35Å
226G98.1Very high97.5Very high6 Ų655.1 Ų55.16%0.06228%0.282CS..EExtended strand (participates in β ladder)trans-87.3148.2166.300000112W162W162-G226 VanDerWaalsContact CD2-CA 3.48Å; W162-G226 VanDerWaalsContact CH2-CA 3.41Å; W162-G226 VanDerWaalsContact CZ3-CA 3.49Å; W162-G226 PolarHBondContact O-N 2.66Å
227Y96.8Very high97.5Very high174 Ų17454.2 Ų54.268%0.68227%0.266SS*.EExtended strand (participates in β ladder)trans-76.8-45171.6-172.5-93.3000111.1I329Y227-I329 WeakPolarHBondContact CB-O 3.26Å; Y227-I329 PolarHBondContact N-O 3.47Å
228N96.1Very high97.5Very high63 Ų6353.1 Ų53.134%0.33726%0.257SS..EExtended strand (participates in β ladder)trans-152.4166.7177.660.512.2000111.6G328 I329N228-G328 WeakPolarHBondContact O-CA 3.27Å; N228-I329 PolarHBondContact O-N 2.57Å; N228-I329 PolarHBondContact OD1-N 2.02Å
229S97.6Very high97.5Very high15 Ų1549.3 Ų49.311%0.10523%0.234CC..EExtended strand (participates in β ladder)trans-124.3146.5168.358.70000108.7N160 A327N160-S229 PolarHBondContact OD1-OG 3.02Å; S229-A327 CarbonylContact C-O 3.25Å; S229-A327 WeakPolarHBondContact CA-O 3.02Å
230Y98.4Very high97.5Very high10 Ų1049.2 Ų49.24%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-155.4155.4-17849.9-96.1000111.7P69 R71 R120 E242 V326 A327 G328 I329P69-Y230 CarbonylContact O-C 3.45Å; P69-Y230 WeakPolarHBondContact O-CA 3.14Å; P69-Y230 WeakPolarHBondContact O-CB 3.37Å; R71-Y230 HydrophobicContact CB-CD2 3.48Å; R71-Y230 VanDerWaalsContact CB-CD2 3.48Å; R71-Y230 HydrophobicContact CB-CE2 4.08Å; R71-Y230 HydrophobicContact CB-CG 3.81Å; R71-Y230 HydrophobicContact CG-CD2 4.2Å; R71-Y230 HydrophobicContact CG-CE2 4.36Å; R71-Y230 HydrophobicContact CG-CG 4.49Å; R71-Y230 PolarHBondContact NH1-OH 3.46Å; R120-Y230 PolarHBondContact NH1-OH 2.97Å; Y230-E242 PolarHBondContact OH-OE1 2.89Å; Y230-V326 WeakPolarHBondContact O-CA 3.32Å; Y230-A327 HydrophobicContact CD2-CB 4.17Å; Y230-A327 HydrophobicContact CE2-CB 3.51Å; Y230-A327 PolarHBondContact N-O 2.75Å; Y230-A327 PolarHBondContact O-N 3.06Å; Y230-G328 VanDerWaalsContact CE1-CA 3.45Å; Y230-I329 HydrophobicContact CE1-CG1 4.11Å
231S98.1Very high97.5Very high15 Ų1540.9 Ų40.911%0.10520%0.198CC..EExtended strand (participates in β ladder)trans-85.7144.2167.1-51.30000109.8P68 P69 Q70 R71P68-S231 WeakPolarHBondContact CD-OG 3.45Å; P68-S231 PolarHBondContact O-OG 2.81Å; P69-S231 PolarHBondContact O-N 2.89Å; Q70-S231 CarbonylContact C-O 3.49Å; Q70-S231 WeakPolarHBondContact CA-O 3.3Å; R71-S231 PolarHBondContact N-O 2.91Å
232V97.6Very high97.6Very high8 Ų835.4 Ų35.45%0.04817%0.173CC..PPolyproline II helixtrans-88.6142.7163.7-170.70000107.9D238 I239 E242 V325V232-D238 HydrophobicContact CG1-CB 4.15Å; V232-I239 HydrophobicContact CB-CG1 4.43Å; V232-I239 HydrophobicContact CG1-CG1 3.86Å; V232-E242 HydrophobicContact CG1-CB 4.32Å; V232-E242 HydrophobicContact CG2-CB 4.11Å; V232-E242 HydrophobicContact CG2-CG 3.8Å; V232-V325 HydrophobicContact CB-CB 4.14Å; V232-V325 HydrophobicContact CB-CG1 3.9Å; V232-V325 HydrophobicContact CG2-CB 4.49Å; V232-V325 HydrophobicContact CG2-CG1 3.77Å; V232-V325 PolarHBondContact N-O 2.96Å
233S96.3Very high97.6Very high14 Ų1434.9 Ų34.910%0.09817%0.17CC..PPolyproline II helixtrans-56.7146174.525.30000110.8S235 D238S233-S235 PolarHBondContact O-N 3.46Å; S233-D238 WeakPolarHBondContact OG-CB 3.42Å; S233-D238 PolarHBondContact OG-OD2 3.13Å
234N96.7Very high97.6Very high90 Ų9038.2 Ų38.248%0.48118%0.182SC..SBendtrans-70.972.9170.9176.7-140.5000110E322N234-E322 WeakPolarHBondContact CA-O 3.44Å; N234-E322 WeakPolarHBondContact ND2-CB 3.39Å; N234-E322 PolarHBondContact ND2-O 3.3Å
235S96.8Very high97.5Very high39 Ų3941.4 Ų41.427%0.27320%0.196SC..  trans-150116.3-172.4164.70000107.4S233 K237 D238 I239S233-S235 PolarHBondContact O-N 3.46Å; S235-K237 PolarHBondContact O-N 3.49Å; S235-D238 WeakPolarHBondContact CB-OD2 3.43Å; S235-D238 PolarHBondContact O-N 2.95Å; S235-D238 PolarHBondContact OG-N 3.21Å; S235-D238 PolarHBondContact OG-OD2 3.21Å; S235-D238 VanDerWaalsContact OG-OD2 3.05Å; S235-I239 WeakPolarHBondContact O-CG1 3.14Å; S235-I239 PolarHBondContact O-N 3.35Å
236E97.5Very high97.5Very high68 Ų6839.1 Ų39.132%0.31819%0.188SC..Hα-helixtrans-47-47.6178177.6-174-173.400111.6D238 I239 M240 W294 R314E236-D238 PolarHBondContact O-N 2.81Å; E236-I239 PolarHBondContact O-N 2.81Å; E236-M240 HydrophobicContact CG-SD 3.95Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.38Å; E236-M240 PolarHBondContact O-N 3.4Å; E236-W294 HydrophobicContact CG-CZ2 4.23Å; E236-R314 HydrophobicContact CG-CG 3.83Å; E236-R314 WeakPolarHBondContact OE1-CG 3.05Å; E236-R314 IonicContact OE1-CZ 3.91Å; E236-R314 IonicContact OE1-NE 3.99Å; E236-R314 IonicContact OE1-NH1 2.98Å; E236-R314 PolarHBondContact OE1-NH1 2.95Å
237K96.7Very high97.5Very high86 Ų8638.9 Ų38.937%0.37419%0.185SC..Hα-helixtrans-66.2-37.1-177.8-167.2179.3-178.5-169.10112.5T75 L80 S235 A241T75-K237 WeakPolarHBondContact O-CE 3.42Å; T75-K237 PolarHBondContact O-NZ 2.71Å; L80-K237 HydrophobicContact CD1-CG 4.33Å; S235-K237 PolarHBondContact O-N 3.49Å; K237-A241 VanDerWaalsContact O-CB 3.26Å; K237-A241 WeakPolarHBondContact O-CB 3.43Å; K237-A241 PolarHBondContact O-N 2.79Å
238D97.1Very high97.6Very high23 Ų2330.6 Ų30.612%0.12315%0.153CC..Hα-helixtrans-74-38.3-179.5-64.7-30.1000111.5M73 T75 V232 S233 S235 E236 A241 E242M73-D238 HydrophobicContact CB-CB 4.15Å; M73-D238 HydrophobicContact CG-CB 4.2Å; T75-D238 WeakPolarHBondContact CG2-OD1 3.5Å; T75-D238 PolarHBondContact OG1-OD1 2.98Å; V232-D238 HydrophobicContact CG1-CB 4.15Å; S233-D238 WeakPolarHBondContact OG-CB 3.42Å; S233-D238 PolarHBondContact OG-OD2 3.13Å; S235-D238 WeakPolarHBondContact CB-OD2 3.43Å; S235-D238 PolarHBondContact O-N 2.95Å; S235-D238 PolarHBondContact OG-N 3.21Å; S235-D238 PolarHBondContact OG-OD2 3.21Å; S235-D238 VanDerWaalsContact OG-OD2 3.05Å; E236-D238 PolarHBondContact O-N 2.81Å; D238-A241 PolarHBondContact O-N 2.65Å; D238-E242 WeakPolarHBondContact O-CB 3.36Å; D238-E242 PolarHBondContact O-N 3.05Å
239I98.3Very high97.8Very high0 Ų027.6 Ų27.60%014%0.137CC..Hα-helixtrans-63.1-47.2173.7-62.8162.6000110.2V232 S235 E236 A241 E242 I243 W294 E322 V325V232-I239 HydrophobicContact CB-CG1 4.43Å; V232-I239 HydrophobicContact CG1-CG1 3.86Å; S235-I239 WeakPolarHBondContact O-CG1 3.14Å; S235-I239 PolarHBondContact O-N 3.35Å; E236-I239 PolarHBondContact O-N 2.81Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3.29Å; I239-E242 PolarHBondContact O-N 3.05Å; I239-I243 HydrophobicContact CG2-CD1 3.97Å; I239-I243 WeakPolarHBondContact O-CG1 3.44Å; I239-I243 PolarHBondContact O-N 3.26Å; I239-W294 HydrophobicContact CB-CH2 3.72Å; I239-W294 HydrophobicContact CB-CZ2 4.1Å; I239-W294 HydrophobicContact CD1-CZ2 4.39Å; I239-W294 HydrophobicContact CG2-CH2 3.47Å; I239-W294 VanDerWaalsContact CG2-CH2 3.47Å; I239-W294 HydrophobicContact CG2-CZ2 3.93Å; I239-W294 HydrophobicContact CG2-CZ3 3.9Å; I239-E322 HydrophobicContact CD1-CB 3.67Å; I239-E322 HydrophobicContact CD1-CG 3.75Å; I239-V325 HydrophobicContact CD1-CG2 3.79Å; I239-V325 HydrophobicContact CG1-CB 4.36Å; I239-V325 HydrophobicContact CG1-CG1 4.43Å; I239-V325 HydrophobicContact CG1-CG2 4.09Å; I239-V325 HydrophobicContact CG2-CG1 4.46Å; I239-V325 HydrophobicContact CG2-CG2 4.47Å
240M98.3Very high97.8Very high21 Ų2126.9 Ų26.910%0.10313%0.132CC..Hα-helixtrans-59-44.2174.8-67.6164.273.600111.4L80 E236 E242 I243 Y244 W285 W294L80-M240 HydrophobicContact CB-CE 4.2Å; L80-M240 HydrophobicContact CD1-CB 3.64Å; L80-M240 HydrophobicContact CD1-CE 4.27Å; E236-M240 HydrophobicContact CG-SD 3.95Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.38Å; E236-M240 PolarHBondContact O-N 3.4Å; M240-E242 VanDerWaalsContact C-N 3.34Å; M240-E242 PolarHBondContact O-N 2.84Å; M240-I243 PolarHBondContact O-N 2.94Å; M240-Y244 VanDerWaalsContact O-CB 3.26Å; M240-Y244 WeakPolarHBondContact O-CB 3.34Å; M240-Y244 PolarHBondContact O-N 3.09Å; M240-W285 HydrophobicContact CB-CD2 4.3Å; M240-W285 HydrophobicContact CB-CE3 4.17Å; M240-W285 HydrophobicContact CB-CH2 4.08Å; M240-W285 HydrophobicContact CB-CZ2 4.15Å; M240-W285 HydrophobicContact CB-CZ3 4.08Å; M240-W285 HydrophobicContact CE-CD2 4.05Å; M240-W285 VanDerWaalsContact CE-CE2 3.47Å; M240-W285 HydrophobicContact CE-CG 4.13Å; M240-W285 HydrophobicContact CE-CZ2 3.98Å; M240-W285 HydrophobicContact CG-CD2 3.83Å; M240-W285 HydrophobicContact CG-CE3 4Å; M240-W285 HydrophobicContact CG-CG 4.23Å; M240-W285 HydrophobicContact CG-CZ2 4.45Å; M240-W285 HydrophobicContact CG-CZ3 4.42Å; M240-W285 WeakPolarHBondContact O-CH2 3.5Å; M240-W285 WeakPolarHBondContact O-CZ3 2.87Å; M240-W294 HydrophobicContact CB-CH2 4.5Å; M240-W294 HydrophobicContact CG-CH2 3.55Å; M240-W294 HydrophobicContact CG-CZ3 3.72Å
241A97.8Very high97.8Very high0 Ų026.4 Ų26.40%013%0.13CC..Hα-helixtrans-65.6-35.7179.400000112.9M73 T75 L78 L80 K237 D238 I239 K245M73-A241 VanDerWaalsContact CE-C 3.44Å; M73-A241 HydrophobicContact CE-CB 3.43Å; M73-A241 VanDerWaalsContact CE-CB 3.43Å; T75-A241 HydrophobicContact CG2-CB 3.51Å; L78-A241 HydrophobicContact CD2-CB 3.58Å; L80-A241 HydrophobicContact CD1-CB 4.25Å; K237-A241 VanDerWaalsContact O-CB 3.26Å; K237-A241 WeakPolarHBondContact O-CB 3.43Å; K237-A241 PolarHBondContact O-N 2.79Å; D238-A241 PolarHBondContact O-N 2.65Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 3.29Å; A241-K245 WeakPolarHBondContact O-CB 3.5Å; A241-K245 VanDerWaalsContact O-CG 3.27Å; A241-K245 WeakPolarHBondContact O-CG 3.29Å; A241-K245 PolarHBondContact O-N 3.06Å; A241-K245 VanDerWaalsContact O-N 3.13Å
242E98.2Very high97.9Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-65.5-48.817617561.3-160.600110.2R71 M73 R120 Y230 V232 D238 I239 M240 K245 N246 V249R71-E242 IonicContact CZ-OE2 3.07Å; R71-E242 IonicContact NE-OE2 3.58Å; R71-E242 IonicContact NH1-OE1 3.97Å; R71-E242 PolarHBondContact NH1-OE1 2.85Å; R71-E242 IonicContact NH1-OE2 3.37Å; R71-E242 PolarHBondContact NH1-OE2 3.05Å; M73-E242 HydrophobicContact CE-CB 3.96Å; R120-E242 IonicContact CZ-OE1 2.96Å; R120-E242 IonicContact NH1-OE1 3.23Å; R120-E242 PolarHBondContact NH1-OE1 2.69Å; R120-E242 IonicContact NH2-OE1 3.62Å; R120-E242 PolarHBondContact NH2-OE1 3.2Å; Y230-E242 PolarHBondContact OH-OE1 2.89Å; V232-E242 HydrophobicContact CG1-CB 4.32Å; V232-E242 HydrophobicContact CG2-CB 4.11Å; V232-E242 HydrophobicContact CG2-CG 3.8Å; D238-E242 WeakPolarHBondContact O-CB 3.36Å; D238-E242 PolarHBondContact O-N 3.05Å; I239-E242 PolarHBondContact O-N 3.05Å; M240-E242 VanDerWaalsContact C-N 3.34Å; M240-E242 PolarHBondContact O-N 2.84Å; E242-K245 PolarHBondContact O-N 2.77Å; E242-N246 WeakPolarHBondContact O-CB 3.45Å; E242-N246 PolarHBondContact O-N 2.89Å; E242-N246 PolarHBondContact O-ND2 2.59Å; E242-N246 WeakPolarHBondContact OE1-CB 3.32Å; E242-N246 PolarHBondContact OE1-ND2 3.13Å; E242-N246 PolarHBondContact OE2-ND2 2.94Å; E242-V249 HydrophobicContact CB-CG1 4.45Å; E242-V249 HydrophobicContact CG-CG1 3.56Å
243I98.6Very high97.9Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-62.2-46.5178.9-64.7166.9000110.4F84 W90 I239 M240 K245 G247 V249 I282 W285 W294F84-I243 HydrophobicContact CD1-CG2 4.08Å; F84-I243 HydrophobicContact CE1-CG2 3.73Å; W90-I243 WeakPolarHBondContact CH2-O 3.21Å; I239-I243 HydrophobicContact CG2-CD1 3.97Å; I239-I243 WeakPolarHBondContact O-CG1 3.44Å; I239-I243 PolarHBondContact O-N 3.26Å; M240-I243 PolarHBondContact O-N 2.94Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 2.78Å; I243-G247 WeakPolarHBondContact CA-O 3.34Å; I243-G247 WeakPolarHBondContact O-CA 3.5Å; I243-G247 PolarHBondContact O-N 3.49Å; I243-V249 HydrophobicContact CD1-CG2 3.93Å; I243-V249 HydrophobicContact CG1-CG1 3.97Å; I243-V249 HydrophobicContact CG1-CG2 3.84Å; I243-I282 HydrophobicContact CD1-CB 4.13Å; I243-I282 HydrophobicContact CD1-CG2 3.66Å; I243-W285 HydrophobicContact CB-CZ3 3.96Å; I243-W285 HydrophobicContact CG2-CZ3 3.89Å; I243-W294 HydrophobicContact CD1-CZ3 4.25Å
244Y98.1Very high98.1Very high87 Ų8725.6 Ų25.634%0.34113%0.125SC..Hα-helixtrans-57.3-43.4179.7-171-103.9000112.8L80 P81 F84 M240 W285L80-Y244 HydrophobicContact CD2-CD1 3.98Å; L80-Y244 HydrophobicContact CD2-CD2 4.08Å; L80-Y244 HydrophobicContact CD2-CG 3.6Å; P81-Y244 HydrophobicContact CG-CD2 4.35Å; P81-Y244 HydrophobicContact CG-CE2 4.12Å; F84-Y244 AromaticContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CD2 3.71Å; F84-Y244 HydrophobicContact CD2-CE2 4.1Å; F84-Y244 AromaticContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CD2 3.6Å; F84-Y244 HydrophobicContact CE2-CE2 4.01Å; F84-Y244 HydrophobicContact CZ-CD2 4.41Å; M240-Y244 VanDerWaalsContact O-CB 3.26Å; M240-Y244 WeakPolarHBondContact O-CB 3.34Å; M240-Y244 PolarHBondContact O-N 3.09Å; Y244-W285 HydrophobicContact CD2-CH2 4.24Å
245K96.7Very high98.1Very high87 Ų8721.3 Ų21.338%0.37810%0.102SC..Hα-helixtrans-83.7-37.7-174.5-70.6174.2-178.4174.10112.7F74 L78 A241 E242 I243F74-K245 PolarHBondContact O-NZ 3.43Å; F74-K245 VanDerWaalsContact O-NZ 3.15Å; L78-K245 VanDerWaalsContact CD1-CE 3.49Å; A241-K245 WeakPolarHBondContact O-CB 3.5Å; A241-K245 VanDerWaalsContact O-CG 3.27Å; A241-K245 WeakPolarHBondContact O-CG 3.29Å; A241-K245 PolarHBondContact O-N 3.06Å; A241-K245 VanDerWaalsContact O-N 3.13Å; E242-K245 PolarHBondContact O-N 2.77Å; I243-K245 VanDerWaalsContact C-N 3.31Å; I243-K245 PolarHBondContact O-N 2.78Å
246N98Very high98.2Very high16 Ų1622 Ų229%0.08610%0.099CC..Hα-helixtrans-125.3-2.9-163.2-55.3-71.8000114.1R71 R120 H124 E242 I329R71-N246 PolarHBondContact NH1-ND2 3.25Å; R120-N246 WeakPolarHBondContact CG-O 3.32Å; H124-N246 PolarHBondContact CE1-OD1 3.45Å; H124-N246 PolarHBondContact NE2-O 3.17Å; E242-N246 WeakPolarHBondContact O-CB 3.45Å; E242-N246 PolarHBondContact O-N 2.89Å; E242-N246 PolarHBondContact O-ND2 2.59Å; E242-N246 WeakPolarHBondContact OE1-CB 3.32Å; E242-N246 PolarHBondContact OE1-ND2 3.13Å; E242-N246 PolarHBondContact OE2-ND2 2.94Å; N246-I329 HydrophobicContact CB-CD1 4.31Å
247G98.7Very high98.1Very high0 Ų018.8 Ų18.80%08%0.084CC..  trans89.5-177.1-177.800000114.4R120 I243R120-G247 PolarHBondContact NH2-O 2.93Å; I243-G247 WeakPolarHBondContact CA-O 3.34Å; I243-G247 WeakPolarHBondContact O-CA 3.5Å; I243-G247 PolarHBondContact O-N 3.49Å
248P98.9Very high98.2Very high0 Ų014.7 Ų14.70%07%0.066CC..  trans-50.2151.1-173.8-30.839.4000114.5A86 I96 D119 R120 R281 I282 L283A86-P248 HydrophobicContact CB-CG 3.89Å; I96-P248 HydrophobicContact CG2-CG 4.22Å; D119-P248 HydrophobicContact CB-CG 4.2Å; D119-P248 WeakPolarHBondContact OD2-CG 3.47Å; R120-P248 PolarHBondContact NE-O 3.37Å; R120-P248 PolarHBondContact NH2-O 2.88Å; P248-R281 HydrophobicContact CB-CG 3.81Å; P248-I282 VanDerWaalsContact CA-O 3.23Å; P248-I282 WeakPolarHBondContact CA-O 3.1Å; P248-I282 WeakPolarHBondContact CB-O 3.47Å; P248-L283 HydrophobicContact CB-CB 4.05Å; P248-L283 HydrophobicContact CG-CB 3.74Å
249V98.9Very high98.2Very high0 Ų013.6 Ų13.60%06%0.06CC..EExtended strand (participates in β ladder)trans-120.9157.3-179.8-64.20000109.7R120 E242 I243 R281 I282 V325 A327R120-V249 VanDerWaalsContact NH2-CG1 3.27Å; E242-V249 HydrophobicContact CB-CG1 4.45Å; E242-V249 HydrophobicContact CG-CG1 3.56Å; I243-V249 HydrophobicContact CD1-CG2 3.93Å; I243-V249 HydrophobicContact CG1-CG1 3.97Å; I243-V249 HydrophobicContact CG1-CG2 3.84Å; V249-R281 CarbonylContact O-C 3.6Å; V249-R281 WeakPolarHBondContact O-CA 3.28Å; V249-I282 HydrophobicContact CG2-CB 3.82Å; V249-I282 HydrophobicContact CG2-CD1 4.33Å; V249-I282 HydrophobicContact CG2-CG1 4.32Å; V249-I282 PolarHBondContact N-O 3.39Å; V249-I282 PolarHBondContact O-N 3.45Å; V249-V325 HydrophobicContact CB-CG1 3.75Å; V249-V325 HydrophobicContact CG1-CG1 4.24Å; V249-V325 HydrophobicContact CG2-CG1 3.51Å; V249-A327 HydrophobicContact CG1-CB 4.02Å
250E98.9Very high98.2Very high0 Ų013.6 Ų13.60%06%0.06CC..EExtended strand (participates in β ladder)trans-88.7136.8167-179.3175.4-143.900109.1W109 G112 A113 P155 W159 I280 V325 V326W109-E250 VanDerWaalsContact O-OE1 3.05Å; G112-E250 VanDerWaalsContact C-CD 3.49Å; G112-E250 WeakPolarHBondContact CA-OE1 3.4Å; A113-E250 WeakPolarHBondContact CA-OE2 3.34Å; A113-E250 WeakPolarHBondContact CB-OE2 3.12Å; A113-E250 PolarHBondContact N-OE1 3.38Å; A113-E250 PolarHBondContact N-OE2 3.08Å; P155-E250 HydrophobicContact CB-CG 4.35Å; W159-E250 HydrophobicContact CZ2-CB 4.12Å; W159-E250 PolarHBondContact NE1-OE2 2.91Å; E250-I280 WeakPolarHBondContact CA-O 3.46Å; E250-V325 CarbonylContact O-C 3.56Å; E250-V325 WeakPolarHBondContact O-CA 3.01Å; E250-V326 HydrophobicContact CB-CG2 4.07Å; E250-V326 HydrophobicContact CG-CG2 4.32Å; E250-V326 PolarHBondContact N-O 2.64Å; E250-V326 VanDerWaalsContact N-O 3.09Å; E250-V326 PolarHBondContact O-N 2.88Å; E250-V326 VanDerWaalsContact O-O 3.13Å
251G98.7Very high98.1Very high0 Ų012.6 Ų12.60%06%0.055CC..EExtended strand (participates in β ladder)trans-133.4172.1172.700000110.6A279 I280 E324G251-A279 CarbonylContact O-C 3.55Å; G251-A279 VanDerWaalsContact O-CA 3.27Å; G251-A279 WeakPolarHBondContact O-CA 3.39Å; G251-I280 PolarHBondContact N-O 2.86Å; G251-I280 PolarHBondContact O-N 2.84Å; G251-E324 WeakPolarHBondContact CA-O 3.16Å
252A98.7Very high98.2Very high0 Ų012.6 Ų12.60%06%0.055CC..EExtended strand (participates in β ladder)trans-140.3154.2172.900000111.1T61 L63 H278 A279 G320 E324T61-A252 HydrophobicContact CG2-CB 3.99Å; L63-A252 HydrophobicContact CD2-CB 3.6Å; A252-H278 CarbonylContact C-O 3.49Å; A252-H278 WeakPolarHBondContact CA-O 2.93Å; A252-A279 HydrophobicContact CB-CB 4.42Å; A252-G320 VanDerWaalsContact O-O 3.1Å; A252-E324 HydrophobicContact CB-CB 4.13Å
253F98.8Very high98.1Very high1 Ų115.9 Ų15.90%0.0047%0.07CC..EExtended strand (participates in β ladder)trans-150.5164.6178.272.8-70.3000111.4V255 F259 H278 I280 F310 I312 C319 I321F253-V255 HydrophobicContact CE1-CG2 4.41Å; F253-V255 HydrophobicContact CE2-CG2 3.86Å; F253-V255 HydrophobicContact CZ-CG2 3.79Å; F253-F259 HydrophobicContact CE2-CD1 4.31Å; F253-F259 HydrophobicContact CE2-CD2 4.27Å; F253-F259 HydrophobicContact CE2-CE1 4.24Å; F253-F259 HydrophobicContact CE2-CE2 4.19Å; F253-F259 HydrophobicContact CE2-CG 4.31Å; F253-F259 HydrophobicContact CE2-CZ 4.16Å; F253-F259 HydrophobicContact CZ-CD1 4.14Å; F253-F259 HydrophobicContact CZ-CD2 4.49Å; F253-F259 AromaticContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE2 4.04Å; F253-F259 AromaticContact CZ-CZ 3.58Å; F253-F259 HydrophobicContact CZ-CZ 3.58Å; F253-H278 HydrophobicContact CE1-CB 4.28Å; F253-H278 AromaticContact CE1-CD2 3.99Å; F253-H278 PolarHBondContact N-O 2.88Å; F253-H278 PolarHBondContact O-N 3.04Å; F253-I280 HydrophobicContact CD1-CG1 4.09Å; F253-I280 HydrophobicContact CD1-CG2 4.41Å; F253-I280 HydrophobicContact CE1-CG1 4.18Å; F253-I280 HydrophobicContact CE1-CG2 3.75Å; F253-F310 AromaticContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CZ-CE2 4.33Å; F253-F310 AromaticContact CZ-CZ 3.99Å; F253-F310 HydrophobicContact CZ-CZ 3.99Å; F253-I312 HydrophobicContact CD2-CD1 4.08Å; F253-I312 HydrophobicContact CE2-CD1 4.39Å; F253-C319 CarbonylContact C-O 3.57Å; F253-C319 WeakPolarHBondContact CA-O 3.44Å; F253-C319 HydrophobicContact CB-CB 4.2Å; F253-C319 WeakPolarHBondContact CB-O 3.41Å; F253-C319 HydrophobicContact CD2-CB 3.99Å; F253-I321 HydrophobicContact CB-CB 4.17Å; F253-I321 HydrophobicContact CB-CD1 3.8Å; F253-I321 HydrophobicContact CD1-CD1 3.77Å; F253-I321 HydrophobicContact CG-CD1 3.92Å
254S98.8Very high98.1Very high20 Ų2018.1 Ų18.114%0.149%0.085CC..EExtended strand (participates in β ladder)trans-78.5118.2173.1-62.90000110.7L63 C319L63-S254 WeakPolarHBondContact CD1-OG 3.43Å; S254-C319 PolarHBondContact N-O 2.97Å; S254-C319 WeakPolarHBondContact O-CB 3.35Å
255V98.6Very high98.2Very high0 Ų014.1 Ų14.10%07%0.071CC..EExtended strand (participates in β ladder)trans-82.8129.5172.4176.10000109.1F253 F259 L260 M275 G276 H278F253-V255 HydrophobicContact CE1-CG2 4.41Å; F253-V255 HydrophobicContact CE2-CG2 3.86Å; F253-V255 HydrophobicContact CZ-CG2 3.79Å; V255-F259 HydrophobicContact CG1-CB 4.23Å; V255-F259 HydrophobicContact CG1-CD1 3.93Å; V255-F259 HydrophobicContact CG1-CG 4.49Å; V255-F259 HydrophobicContact CG2-CD1 4.23Å; V255-L260 HydrophobicContact CG1-CD2 4.17Å; V255-M275 HydrophobicContact CB-CB 4.35Å; V255-M275 HydrophobicContact CG1-CB 4Å; V255-M275 HydrophobicContact CG1-CG 4.3Å; V255-M275 PolarHBondContact O-N 3.19Å; V255-G276 PolarHBondContact N-O 3.19Å; V255-H278 HydrophobicContact CG2-CB 3.35Å
256Y97.6Very high98.3Very high54 Ų5410 Ų1021%0.2125%0.053CC..EExtended strand (participates in β ladder)trans-108.8157.6168.8-69.6-93000109.6D258 F259 H269 E273 M274Y256-D258 VanDerWaalsContact CB-OD1 3.28Å; Y256-D258 WeakPolarHBondContact CB-OD1 3.18Å; Y256-D258 PolarHBondContact O-N 2.88Å; Y256-D258 VanDerWaalsContact O-N 3.15Å; Y256-F259 VanDerWaalsContact O-CB 3.25Å; Y256-F259 WeakPolarHBondContact O-CB 3.45Å; Y256-F259 PolarHBondContact O-N 3.44Å; Y256-H269 VanDerWaalsContact CB-ND1 3.33Å; Y256-H269 WeakPolarHBondContact CB-ND1 3.21Å; Y256-H269 AromaticContact CD1-CE1 3.42Å; Y256-H269 VanDerWaalsContact CD1-CE1 3.42Å; Y256-H269 WeakPolarHBondContact CD1-CE1 3.06Å; Y256-H269 AromaticContact CD1-ND1 3.95Å; Y256-H269 AromaticContact CD1-NE2 3.77Å; Y256-H269 HydrophobicContact CD2-CB 4.44Å; Y256-H269 AromaticContact CD2-CG 3.91Å; Y256-H269 AromaticContact CD2-ND1 3.87Å; Y256-H269 AromaticContact CE1-NE2 3.98Å; Y256-H269 AromaticContact CG-CE1 3.42Å; Y256-H269 VanDerWaalsContact CG-CE1 3.42Å; Y256-H269 AromaticContact CG-CG 3.95Å; Y256-H269 AromaticContact CG-ND1 3.45Å; Y256-H269 AromaticContact CG-NE2 3.99Å; Y256-E273 CarbonylContact C-O 2.97Å; Y256-E273 VanDerWaalsContact CA-O 3.22Å; Y256-E273 WeakPolarHBondContact CA-O 3.44Å; Y256-M274 HydrophobicContact CD1-CB 4.22Å; Y256-M274 HydrophobicContact CE1-CB 3.98Å; Y256-M274 HydrophobicContact CE1-CE 4.24Å; Y256-M274 HydrophobicContact CE2-CE 4.48Å; Y256-M274 WeakPolarHBondContact OH-CE 3.19Å
257S96.5Very high98.3Very high0 Ų09.3 Ų9.30%05%0.049CC..THydrogen-bonded Turntrans-60.6-27.7-173.658.20000114.2F259 L260 G272 E273S257-F259 VanDerWaalsContact C-N 3.32Å; S257-F259 PolarHBondContact O-N 2.83Å; S257-L260 WeakPolarHBondContact O-CB 3.4Å; S257-L260 PolarHBondContact O-N 2.73Å; S257-G272 WeakPolarHBondContact OG-CA 3.48Å; S257-E273 PolarHBondContact N-O 2.95Å; S257-E273 PolarHBondContact OG-N 2.84Å
258D97.4Very high98.3Very high0 Ų012 Ų120%06%0.061CC..THydrogen-bonded Turntrans-66.7-31.1174.362.5-20.1000113.2V34 W41 Y256 L260 L261 Y267 H269 V270 T271V34-D258 HydrophobicContact CG2-CB 4.22Å; W41-D258 HydrophobicContact CH2-CB 4.12Å; W41-D258 VanDerWaalsContact CH2-O 3.24Å; W41-D258 WeakPolarHBondContact CH2-O 3.39Å; W41-D258 HydrophobicContact CZ2-CB 4.29Å; Y256-D258 VanDerWaalsContact CB-OD1 3.28Å; Y256-D258 WeakPolarHBondContact CB-OD1 3.18Å; Y256-D258 PolarHBondContact O-N 2.88Å; Y256-D258 VanDerWaalsContact O-N 3.15Å; D258-L260 PolarHBondContact O-N 2.84Å; D258-L261 WeakPolarHBondContact O-CB 3.39Å; D258-L261 PolarHBondContact O-N 2.74Å; D258-Y267 PolarHBondContact OD1-OH 2.86Å; D258-Y267 VanDerWaalsContact OD1-OH 3.09Å; D258-H269 IonicContact OD1-CE1 2.86Å; D258-H269 IonicContact OD1-ND1 2.92Å; D258-H269 PolarHBondContact OD1-ND1 3.18Å; D258-H269 IonicContact OD2-ND1 2.72Å; D258-H269 PolarHBondContact OD2-ND1 3.28Å; D258-V270 PolarHBondContact OD2-N 2.73Å; D258-T271 VanDerWaalsContact CB-O 3.28Å; D258-T271 WeakPolarHBondContact CB-O 3.13Å; D258-T271 VanDerWaalsContact OD1-O 3.06Å; D258-T271 PolarHBondContact OD2-N 2.68Å; D258-T271 VanDerWaalsContact OD2-O 3.05Å
259F98.4Very high98.3Very high0 Ų014 Ų140%07%0.071CC..G310 helixtrans-59.2-34.6175.7-179-106.2000113.1F253 V255 Y256 S257 L261 Y262 Y267 W300 W304 F310F253-F259 HydrophobicContact CE2-CD1 4.31Å; F253-F259 HydrophobicContact CE2-CD2 4.27Å; F253-F259 HydrophobicContact CE2-CE1 4.24Å; F253-F259 HydrophobicContact CE2-CE2 4.19Å; F253-F259 HydrophobicContact CE2-CG 4.31Å; F253-F259 HydrophobicContact CE2-CZ 4.16Å; F253-F259 HydrophobicContact CZ-CD1 4.14Å; F253-F259 HydrophobicContact CZ-CD2 4.49Å; F253-F259 AromaticContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE1 3.65Å; F253-F259 HydrophobicContact CZ-CE2 4.04Å; F253-F259 AromaticContact CZ-CZ 3.58Å; F253-F259 HydrophobicContact CZ-CZ 3.58Å; V255-F259 HydrophobicContact CG1-CB 4.23Å; V255-F259 HydrophobicContact CG1-CD1 3.93Å; V255-F259 HydrophobicContact CG1-CG 4.49Å; V255-F259 HydrophobicContact CG2-CD1 4.23Å; Y256-F259 VanDerWaalsContact O-CB 3.25Å; Y256-F259 WeakPolarHBondContact O-CB 3.45Å; Y256-F259 PolarHBondContact O-N 3.44Å; S257-F259 VanDerWaalsContact C-N 3.32Å; S257-F259 PolarHBondContact O-N 2.83Å; F259-L261 PolarHBondContact O-N 3.32Å; F259-Y262 VanDerWaalsContact O-CB 3.31Å; F259-Y262 WeakPolarHBondContact O-CB 3.16Å; F259-Y262 PolarHBondContact O-N 3.3Å; F259-Y267 HydrophobicContact CB-CE1 4.23Å; F259-Y267 HydrophobicContact CB-CE2 3.89Å; F259-Y267 AromaticContact CD2-CD1 3.61Å; F259-Y267 HydrophobicContact CD2-CD1 3.61Å; F259-Y267 AromaticContact CD2-CD2 3.91Å; F259-Y267 HydrophobicContact CD2-CD2 3.91Å; F259-Y267 AromaticContact CD2-CE1 3.61Å; F259-Y267 HydrophobicContact CD2-CE1 3.61Å; F259-Y267 AromaticContact CD2-CE2 3.91Å; F259-Y267 HydrophobicContact CD2-CE2 3.91Å; F259-Y267 AromaticContact CD2-CG 3.77Å; F259-Y267 HydrophobicContact CD2-CG 3.77Å; F259-Y267 AromaticContact CD2-CZ 3.77Å; F259-Y267 HydrophobicContact CE2-CD1 4.1Å; F259-Y267 HydrophobicContact CE2-CE1 4.44Å; F259-Y267 HydrophobicContact CE2-CG 4.27Å; F259-Y267 HydrophobicContact CG-CE1 4.3Å; F259-Y267 HydrophobicContact CG-CE2 4.42Å; F259-W300 HydrophobicContact CD1-CH2 4.03Å; F259-W300 HydrophobicContact CD1-CZ3 4.1Å; F259-W300 AromaticContact CE1-CH2 3.84Å; F259-W300 HydrophobicContact CE1-CH2 3.84Å; F259-W300 AromaticContact CE1-CZ3 3.81Å; F259-W300 HydrophobicContact CE1-CZ3 3.81Å; F259-W304 HydrophobicContact CD1-CZ2 4.2Å; F259-W304 AromaticContact CE1-CH2 3.78Å; F259-W304 HydrophobicContact CE1-CH2 3.78Å; F259-W304 AromaticContact CE1-CZ2 3.59Å; F259-W304 HydrophobicContact CE1-CZ2 3.59Å; F259-W304 AromaticContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CZ2 4.24Å; F259-W304 AromaticContact CZ-CH2 3.35Å; F259-W304 HydrophobicContact CZ-CH2 3.35Å; F259-W304 AromaticContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ3 4.5Å; F259-F310 AromaticContact CE2-CD2 3.58Å; F259-F310 HydrophobicContact CE2-CD2 3.58Å; F259-F310 AromaticContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CG 4.06Å; F259-F310 HydrophobicContact CE2-CZ 4.16Å; F259-F310 HydrophobicContact CZ-CD1 4.05Å; F259-F310 AromaticContact CZ-CD2 3.84Å; F259-F310 HydrophobicContact CZ-CD2 3.84Å; F259-F310 AromaticContact CZ-CE1 3.91Å; F259-F310 HydrophobicContact CZ-CE1 3.91Å; F259-F310 AromaticContact CZ-CE2 3.69Å; F259-F310 HydrophobicContact CZ-CE2 3.69Å; F259-F310 AromaticContact CZ-CG 4Å; F259-F310 HydrophobicContact CZ-CG 4Å; F259-F310 AromaticContact CZ-CZ 3.71Å; F259-F310 HydrophobicContact CZ-CZ 3.71Å
260L96.9Very high98.2Very high0 Ų014.7 Ų14.70%08%0.075CC..G310 helixtrans-58.5-21.4178.6-56.9175.5000111.9N46 F47 L55 V255 S257 D258 M275 W300 W304N46-L260 PolarHBondContact ND2-O 2.98Å; F47-L260 HydrophobicContact CD2-CB 4.08Å; F47-L260 HydrophobicContact CE2-CB 3.96Å; F47-L260 HydrophobicContact CE2-CD2 4.13Å; F47-L260 WeakPolarHBondContact CE2-O 3.32Å; L55-L260 HydrophobicContact CB-CD1 4.27Å; L55-L260 HydrophobicContact CD1-CD1 4.04Å; L55-L260 HydrophobicContact CD2-CD1 4.19Å; L55-L260 HydrophobicContact CG-CD1 4.4Å; V255-L260 HydrophobicContact CG1-CD2 4.17Å; S257-L260 WeakPolarHBondContact O-CB 3.4Å; S257-L260 PolarHBondContact O-N 2.73Å; D258-L260 PolarHBondContact O-N 2.84Å; L260-M275 HydrophobicContact CD1-CE 4.33Å; L260-M275 HydrophobicContact CD1-CG 4.24Å; L260-W300 HydrophobicContact CD2-CH2 3.79Å; L260-W300 HydrophobicContact CD2-CZ3 3.85Å; L260-W304 PolarHBondContact O-NE1 3.42Å
261L97.4Very high98Very high0 Ų014.8 Ų14.80%08%0.076CC..G310 helixtrans-95.85.7-179.1-52.8173.2000113.5L26 L30 V31 A43 G44 D258 F259 K263L26-L261 HydrophobicContact CD2-CD2 4.16Å; L30-L261 HydrophobicContact CB-CD1 4.09Å; L30-L261 HydrophobicContact CD2-CD1 3.66Å; L30-L261 HydrophobicContact CG-CD1 3.59Å; V31-L261 HydrophobicContact CG2-CD1 3.73Å; V31-L261 HydrophobicContact CG2-CD2 3.99Å; V31-L261 HydrophobicContact CG2-CG 4.32Å; A43-L261 CarbonylContact C-O 3.53Å; A43-L261 VanDerWaalsContact CA-O 3.24Å; A43-L261 WeakPolarHBondContact CA-O 3.41Å; A43-L261 HydrophobicContact CB-CB 4.1Å; G44-L261 PolarHBondContact N-O 3.33Å; G44-L261 CarbonylContact O-C 3.49Å; G44-L261 VanDerWaalsContact O-CA 3.29Å; G44-L261 WeakPolarHBondContact O-CA 3.22Å; D258-L261 WeakPolarHBondContact O-CB 3.39Å; D258-L261 PolarHBondContact O-N 2.74Å; F259-L261 PolarHBondContact O-N 3.32Å; L261-K263 PolarHBondContact O-N 3.35Å
262Y98.4Very high97.8Very high0 Ų016.1 Ų16.10%09%0.089CC..EExtended strand (participates in β ladder)trans-57.7131.5-179.7176.8-92.7000112W41 N46 F259 G265 W304 G305 F310 K311W41-Y262 HydrophobicContact CB-CE2 4.42Å; W41-Y262 HydrophobicContact CE3-CD2 4.13Å; N46-Y262 PolarHBondContact ND2-O 3.26Å; F259-Y262 VanDerWaalsContact O-CB 3.31Å; F259-Y262 WeakPolarHBondContact O-CB 3.16Å; F259-Y262 PolarHBondContact O-N 3.3Å; Y262-G265 VanDerWaalsContact CE2-O 3.27Å; Y262-G265 WeakPolarHBondContact CE2-O 3.24Å; Y262-G265 PolarHBondContact OH-O 3.48Å; Y262-W304 AromaticContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CZ2 4.39Å; Y262-W304 HydrophobicContact CD1-CZ3 4.33Å; Y262-W304 HydrophobicContact CG-CH2 4.36Å; Y262-G305 WeakPolarHBondContact O-CA 3.33Å; Y262-F310 HydrophobicContact CD1-CB 3.63Å; Y262-F310 HydrophobicContact CE1-CB 3.3Å; Y262-F310 HydrophobicContact CE2-CB 4.3Å; Y262-F310 HydrophobicContact CG-CB 4.27Å; Y262-K311 PolarHBondContact OH-N 3.39Å
263K98.1Very high97.5Very high69 Ų6920.7 Ų20.730%0.311%0.11SC..EExtended strand (participates in β ladder)trans-119-45.7170.4-69.1-64.1-174.8-177.60113Q42 G44 H45 N46 L261 G305Q42-K263 PolarHBondContact O-N 2.72Å; Q42-K263 VanDerWaalsContact O-N 3.1Å; G44-K263 WeakPolarHBondContact O-CE 3.47Å; H45-K263 WeakPolarHBondContact O-CE 3.44Å; H45-K263 PolarHBondContact O-NZ 2.98Å; N46-K263 VanDerWaalsContact OD1-CE 3.28Å; N46-K263 WeakPolarHBondContact OD1-CE 3.25Å; N46-K263 PolarHBondContact OD1-NZ 3.2Å; L261-K263 PolarHBondContact O-N 3.35Å; K263-G305 CarbonylContact O-C 3.51Å
264S98.7Very high97.4Very high46 Ų4625.7 Ų25.732%0.32214%0.135SC..EExtended strand (participates in β ladder)trans-160.6167.7-175.856.60000111.9W41 Q42W41-S264 VanDerWaalsContact CA-O 3.25Å; W41-S264 WeakPolarHBondContact CA-O 3.09Å; W41-S264 WeakPolarHBondContact CB-O 2.99Å; Q42-S264 PolarHBondContact N-O 3Å; Q42-S264 PolarHBondContact OE1-O 3.09Å; Q42-S264 PolarHBondContact OE1-OG 2.79Å
265G98.7Very high97.2Very high4 Ų425.3 Ų25.34%0.04113%0.131CC..EExtended strand (participates in β ladder)trans86.9-166179.400000113.1T40 Y262 E288 K311T40-G265 CarbonylContact O-C 3.58Å; T40-G265 WeakPolarHBondContact O-CA 3.47Å; Y262-G265 VanDerWaalsContact CE2-O 3.27Å; Y262-G265 WeakPolarHBondContact CE2-O 3.24Å; Y262-G265 PolarHBondContact OH-O 3.48Å; G265-E288 WeakPolarHBondContact CA-OE1 3.35Å; G265-K311 WeakPolarHBondContact O-CB 3.4Å
266V98.9Very high97.2Very high1 Ų126.3 Ų26.31%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-97.7108.6178.6-175.50000109.3T40 Q268 E288 T291 Y293 K311 L313T40-V266 CarbonylContact C-O 3.59Å; T40-V266 WeakPolarHBondContact CB-O 3.43Å; T40-V266 PolarHBondContact O-N 3.32Å; T40-V266 PolarHBondContact OG1-O 2.86Å; V266-Q268 PolarHBondContact O-N 2.94Å; V266-E288 HydrophobicContact CG2-CB 3.96Å; V266-T291 HydrophobicContact CB-CG2 3.97Å; V266-T291 HydrophobicContact CG1-CG2 3.78Å; V266-T291 HydrophobicContact CG2-CG2 4.24Å; V266-Y293 HydrophobicContact CG2-CD1 3.9Å; V266-Y293 HydrophobicContact CG2-CG 4.13Å; V266-K311 HydrophobicContact CG2-CB 4.35Å; V266-L313 HydrophobicContact CG1-CB 4.44Å
267Y98.9Very high97.2Very high0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans-60.4131.3179.8173.4-108.6000111.7W41 D258 F259 H269 K311 I312 L313W41-Y267 HydrophobicContact CD2-CD2 4.02Å; W41-Y267 AromaticContact CE2-CD2 3.7Å; W41-Y267 HydrophobicContact CE3-CD2 4.39Å; W41-Y267 HydrophobicContact CH2-CD2 4.19Å; W41-Y267 HydrophobicContact CH2-CE2 4.15Å; W41-Y267 AromaticContact CZ2-CD2 3.78Å; W41-Y267 HydrophobicContact CZ2-CD2 3.78Å; W41-Y267 AromaticContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ2-CE2 3.74Å; W41-Y267 HydrophobicContact CZ3-CD2 4.47Å; D258-Y267 PolarHBondContact OD1-OH 2.86Å; D258-Y267 VanDerWaalsContact OD1-OH 3.09Å; F259-Y267 HydrophobicContact CB-CE1 4.23Å; F259-Y267 HydrophobicContact CB-CE2 3.89Å; F259-Y267 AromaticContact CD2-CD1 3.61Å; F259-Y267 HydrophobicContact CD2-CD1 3.61Å; F259-Y267 AromaticContact CD2-CD2 3.91Å; F259-Y267 HydrophobicContact CD2-CD2 3.91Å; F259-Y267 AromaticContact CD2-CE1 3.61Å; F259-Y267 HydrophobicContact CD2-CE1 3.61Å; F259-Y267 AromaticContact CD2-CE2 3.91Å; F259-Y267 HydrophobicContact CD2-CE2 3.91Å; F259-Y267 AromaticContact CD2-CG 3.77Å; F259-Y267 HydrophobicContact CD2-CG 3.77Å; F259-Y267 AromaticContact CD2-CZ 3.77Å; F259-Y267 HydrophobicContact CE2-CD1 4.1Å; F259-Y267 HydrophobicContact CE2-CE1 4.44Å; F259-Y267 HydrophobicContact CE2-CG 4.27Å; F259-Y267 HydrophobicContact CG-CE1 4.3Å; F259-Y267 HydrophobicContact CG-CE2 4.42Å; Y267-H269 WeakPolarHBondContact OH-CB 3.04Å; Y267-K311 VanDerWaalsContact CB-O 3.3Å; Y267-K311 WeakPolarHBondContact CB-O 3.36Å; Y267-K311 PolarHBondContact N-O 2.88Å; Y267-I312 HydrophobicContact CD1-CD1 3.87Å; Y267-I312 HydrophobicContact CD1-CG1 3.94Å; Y267-I312 HydrophobicContact CE1-CD1 4.28Å; Y267-L313 PolarHBondContact O-N 3.16Å; Y267-L313 VanDerWaalsContact O-N 3.17Å
268Q98.7Very high97.3Very high57 Ų5724.1 Ų24.127%0.26614%0.136SC..  trans-138.7125.7169.9-72.5-172.367.700107.6T40 W41 V266 V270 L313T40-Q268 VanDerWaalsContact CG2-NE2 3.34Å; T40-Q268 PolarHBondContact OG1-NE2 3.3Å; W41-Q268 PolarHBondContact NE1-O 2.87Å; V266-Q268 PolarHBondContact O-N 2.94Å; Q268-V270 VanDerWaalsContact O-CG2 3.31Å; Q268-V270 WeakPolarHBondContact O-CG2 3.42Å; Q268-V270 PolarHBondContact O-N 2.86Å; Q268-L313 HydrophobicContact CG-CB 3.9Å; Q268-L313 HydrophobicContact CG-CD1 4.48Å; Q268-L313 HydrophobicContact CG-CD2 3.99Å; Q268-L313 HydrophobicContact CG-CG 4.35Å
269H98.2Very high97.4Very high41 Ų4124.1 Ų24.119%0.1914%0.136CC..  trans-64.4128.2-177.1168.661.3000109.8R20 Y256 D258 Y267 T271 H318R20-H269 PolarHBondContact NH1-NE2 3.14Å; Y256-H269 VanDerWaalsContact CB-ND1 3.33Å; Y256-H269 WeakPolarHBondContact CB-ND1 3.21Å; Y256-H269 AromaticContact CD1-CE1 3.42Å; Y256-H269 VanDerWaalsContact CD1-CE1 3.42Å; Y256-H269 WeakPolarHBondContact CD1-CE1 3.06Å; Y256-H269 AromaticContact CD1-ND1 3.95Å; Y256-H269 AromaticContact CD1-NE2 3.77Å; Y256-H269 HydrophobicContact CD2-CB 4.44Å; Y256-H269 AromaticContact CD2-CG 3.91Å; Y256-H269 AromaticContact CD2-ND1 3.87Å; Y256-H269 AromaticContact CE1-NE2 3.98Å; Y256-H269 AromaticContact CG-CE1 3.42Å; Y256-H269 VanDerWaalsContact CG-CE1 3.42Å; Y256-H269 AromaticContact CG-CG 3.95Å; Y256-H269 AromaticContact CG-ND1 3.45Å; Y256-H269 AromaticContact CG-NE2 3.99Å; D258-H269 IonicContact OD1-CE1 2.86Å; D258-H269 IonicContact OD1-ND1 2.92Å; D258-H269 PolarHBondContact OD1-ND1 3.18Å; D258-H269 IonicContact OD2-ND1 2.72Å; D258-H269 PolarHBondContact OD2-ND1 3.28Å; Y267-H269 WeakPolarHBondContact OH-CB 3.04Å; H269-T271 PolarHBondContact CE1-N 3Å; H269-T271 PolarHBondContact CE1-O 2.76Å; H269-T271 PolarHBondContact ND1-O 3.28Å; H269-H318 PolarHBondContact N-CE1 3.31Å; H269-H318 PolarHBondContact N-NE2 2.95Å
270V96.4Very high97.4Very high16 Ų1624.3 Ų24.310%0.09714%0.136CC..  trans-111.4-46.1-176.8-174.20000110.9R20 Y33 R37 T39 W41 D258 Q268R20-V270 PolarHBondContact NH1-O 2.95Å; R20-V270 VanDerWaalsContact NH1-O 3.13Å; Y33-V270 HydrophobicContact CE1-CG1 4.01Å; R37-V270 HydrophobicContact CB-CG1 4.42Å; R37-V270 HydrophobicContact CG-CG1 4.03Å; T39-V270 HydrophobicContact CG2-CG2 3.51Å; W41-V270 HydrophobicContact CZ2-CG2 4.37Å; D258-V270 PolarHBondContact OD2-N 2.73Å; Q268-V270 VanDerWaalsContact O-CG2 3.31Å; Q268-V270 WeakPolarHBondContact O-CG2 3.42Å; Q268-V270 PolarHBondContact O-N 2.86Å
271T95.5Very high97.5Very high2 Ų224.3 Ų24.31%0.01214%0.136CC..SBendtrans-162.5175.3-173.1-164.70000110.6L30 Y33 D258 H269L30-T271 HydrophobicContact CD1-CG2 3.33Å; Y33-T271 HydrophobicContact CD1-CG2 3.61Å; Y33-T271 HydrophobicContact CE1-CG2 3.67Å; D258-T271 VanDerWaalsContact CB-O 3.28Å; D258-T271 WeakPolarHBondContact CB-O 3.13Å; D258-T271 VanDerWaalsContact OD1-O 3.06Å; D258-T271 PolarHBondContact OD2-N 2.68Å; D258-T271 VanDerWaalsContact OD2-O 3.05Å; H269-T271 PolarHBondContact CE1-N 3Å; H269-T271 PolarHBondContact CE1-O 2.76Å; H269-T271 PolarHBondContact ND1-O 3.28Å
272G93.6Very high97.6Very high27 Ų2724.3 Ų24.328%0.27814%0.136SC..  trans103.2160.9179.100000113.1S257S257-G272 WeakPolarHBondContact OG-CA 3.48Å
273E93.7Very high97.6Very high96 Ų9624.3 Ų24.345%0.44914%0.136SC..  trans-81156.4-178.966.1-174.6140.700111.3P25 Y256 S257 M275P25-E273 VanDerWaalsContact CG-OE1 3.32Å; P25-E273 WeakPolarHBondContact CG-OE1 3.43Å; Y256-E273 CarbonylContact C-O 2.97Å; Y256-E273 VanDerWaalsContact CA-O 3.22Å; Y256-E273 WeakPolarHBondContact CA-O 3.44Å; S257-E273 PolarHBondContact N-O 2.95Å; S257-E273 PolarHBondContact OG-N 2.84Å; E273-M275 HydrophobicContact CG-SD 3.88Å; E273-M275 PolarHBondContact O-N 3.46Å
274M95.6Very high97.6Very high106 Ų10621 Ų2152%0.52212%0.122SC..EExtended strand (participates in β ladder)trans-72.5120.5173-177.8177.6-75.100109.2Y256Y256-M274 HydrophobicContact CD1-CB 4.22Å; Y256-M274 HydrophobicContact CE1-CB 3.98Å; Y256-M274 HydrophobicContact CE1-CE 4.24Å; Y256-M274 HydrophobicContact CE2-CE 4.48Å; Y256-M274 WeakPolarHBondContact OH-CE 3.19Å
275M95.8Very high97.7Very high13 Ų1318.9 Ų18.96%0.06411%0.107CC..EExtended strand (participates in β ladder)trans-86.7-33.8-179.6-61.8-55.5-62.500112.2M52 L55 K56 V255 L260 E273M52-M275 HydrophobicContact SD-CE 3.66Å; L55-M275 HydrophobicContact CB-CE 3.96Å; K56-M275 HydrophobicContact CG-CE 3.83Å; V255-M275 HydrophobicContact CB-CB 4.35Å; V255-M275 HydrophobicContact CG1-CB 4Å; V255-M275 HydrophobicContact CG1-CG 4.3Å; V255-M275 PolarHBondContact O-N 3.19Å; L260-M275 HydrophobicContact CD1-CE 4.33Å; L260-M275 HydrophobicContact CD1-CG 4.24Å; E273-M275 HydrophobicContact CG-SD 3.88Å; E273-M275 PolarHBondContact O-N 3.46Å
276G97.1Very high97.7Very high21 Ų2118.7 Ų18.722%0.21611%0.105CC..EExtended strand (participates in β ladder)trans155.5-173.6179.700000112.4V255V255-G276 PolarHBondContact N-O 3.19Å
277G98.5Very high97.7Very high8 Ų822.4 Ų22.48%0.08213%0.127CC..EExtended strand (participates in β ladder)trans-88.9141.2168.800000110.7C59 G60 T61C59-G277 CarbonylContact C-O 3.56Å; C59-G277 WeakPolarHBondContact CA-O 2.99Å; C59-G277 VanDerWaalsContact O-O 3.05Å; G60-G277 PolarHBondContact N-O 2.84Å; T61-G277 PolarHBondContact N-O 3.42Å; T61-G277 CarbonylContact O-C 3.6Å; T61-G277 WeakPolarHBondContact O-CA 3.07Å
278H98.8Very high97.6Very high0 Ų024.9 Ų24.90%014%0.139CC..EExtended strand (participates in β ladder)trans-133.9133.9178.8-172.254.2000110.2L58 Q102 C108 A252 F253 V255 N298 W300L58-H278 PolarHBondContact O-ND1 3.1Å; Q102-H278 PolarHBondContact OE1-CE1 3.2Å; C108-H278 WeakPolarHBondContact CB-CE1 3.47Å; C108-H278 VanDerWaalsContact CB-ND1 3.31Å; C108-H278 WeakPolarHBondContact CB-ND1 2.92Å; C108-H278 PolarHBondContact SG-ND1 2.03Å; C108-H278 VanDerWaalsContact SG-ND1 3.43Å; A252-H278 CarbonylContact C-O 3.49Å; A252-H278 WeakPolarHBondContact CA-O 2.93Å; F253-H278 HydrophobicContact CE1-CB 4.28Å; F253-H278 AromaticContact CE1-CD2 3.99Å; F253-H278 PolarHBondContact N-O 2.88Å; F253-H278 PolarHBondContact O-N 3.04Å; V255-H278 HydrophobicContact CG2-CB 3.35Å; H278-N298 PolarHBondContact NE2-OD1 3.02Å; H278-W300 AromaticContact CD2-CZ2 3.79Å; H278-W300 AromaticContact CE1-CE2 3.64Å; H278-W300 AromaticContact CE1-CZ2 3.69Å; H278-W300 AromaticContact CE1-NE1 3.26Å; H278-W300 PolarHBondContact CE1-NE1 2.79Å; H278-W300 VanDerWaalsContact CE1-NE1 3.26Å; H278-W300 AromaticContact ND1-CZ2 3.97Å; H278-W300 AromaticContact NE2-CE2 3.61Å; H278-W300 AromaticContact NE2-CZ2 3.56Å; H278-W300 AromaticContact NE2-NE1 3.6Å
279A98.8Very high97.6Very high0 Ų029.7 Ų29.70%017%0.167CC..EExtended strand (participates in β ladder)trans-96.7146.8175.800000110.4T61 P155 G251 A252T61-A279 HydrophobicContact CG2-CB 4.24Å; T61-A279 WeakPolarHBondContact OG1-CB 3.34Å; T61-A279 PolarHBondContact OG1-N 3.19Å; P155-A279 HydrophobicContact CG-CB 4Å; G251-A279 CarbonylContact O-C 3.55Å; G251-A279 VanDerWaalsContact O-CA 3.27Å; G251-A279 WeakPolarHBondContact O-CA 3.39Å; A252-A279 HydrophobicContact CB-CB 4.42Å
280I98.9Very high97.6Very high3 Ų330.9 Ų30.92%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-145.8170.9-171.25266.3000111.1E250 G251 F253 I282 V296 F310 I321E250-I280 WeakPolarHBondContact CA-O 3.46Å; G251-I280 PolarHBondContact N-O 2.86Å; G251-I280 PolarHBondContact O-N 2.84Å; F253-I280 HydrophobicContact CD1-CG1 4.09Å; F253-I280 HydrophobicContact CD1-CG2 4.41Å; F253-I280 HydrophobicContact CE1-CG1 4.18Å; F253-I280 HydrophobicContact CE1-CG2 3.75Å; I280-I282 HydrophobicContact CD1-CD1 4.03Å; I280-I282 HydrophobicContact CD1-CG1 3.33Å; I280-V296 HydrophobicContact CB-CG1 3.54Å; I280-V296 HydrophobicContact CD1-CG1 3.64Å; I280-V296 HydrophobicContact CG1-CG1 3.61Å; I280-V296 HydrophobicContact CG2-CG1 4.14Å; I280-F310 HydrophobicContact CG2-CE1 4.18Å; I280-F310 HydrophobicContact CG2-CZ 4.18Å; I280-I321 HydrophobicContact CD1-CD1 3.95Å; I280-I321 HydrophobicContact CG1-CD1 4.04Å
281R98.9Very high97.7Very high0 Ų031.2 Ų31.20%019%0.192CC..EExtended strand (participates in β ladder)trans-109.7118171.9178.6172.160.8100.91.1111I96 E98 E115 A116 D119 P248 V249 V296 A297I96-R281 PolarHBondContact O-NH1 2.97Å; I96-R281 PolarHBondContact O-NH2 2.93Å; I96-R281 VanDerWaalsContact O-NH2 3.16Å; E98-R281 PolarHBondContact O-NH2 3.45Å; E115-R281 IonicContact OE2-NE 3.78Å; E115-R281 PolarHBondContact OE2-NE 2.03Å; E115-R281 VanDerWaalsContact OE2-NE 3.13Å; A116-R281 HydrophobicContact CB-CG 4.34Å; D119-R281 WeakPolarHBondContact OD2-CD 3.48Å; D119-R281 IonicContact OD2-CZ 3.72Å; D119-R281 IonicContact OD2-NE 3.2Å; D119-R281 IonicContact OD2-NH1 3.89Å; D119-R281 PolarHBondContact OD2-NH1 2.65Å; P248-R281 HydrophobicContact CB-CG 3.81Å; V249-R281 CarbonylContact O-C 3.6Å; V249-R281 WeakPolarHBondContact O-CA 3.28Å; R281-V296 WeakPolarHBondContact O-CA 3.3Å; R281-V296 WeakPolarHBondContact O-CG1 3.45Å; R281-A297 HydrophobicContact CB-CB 4.38Å; R281-A297 PolarHBondContact N-O 3.33Å; R281-A297 PolarHBondContact O-N 3.03Å
282I99Very high97.9Very high0 Ų033.1 Ų33.10%020%0.204CC..EExtended strand (participates in β ladder)trans-92122.8175.4-46.6177000108.6I243 P248 V249 I280 W294 V296 I321 V325I243-I282 HydrophobicContact CD1-CB 4.13Å; I243-I282 HydrophobicContact CD1-CG2 3.66Å; P248-I282 VanDerWaalsContact CA-O 3.23Å; P248-I282 WeakPolarHBondContact CA-O 3.1Å; P248-I282 WeakPolarHBondContact CB-O 3.47Å; V249-I282 HydrophobicContact CG2-CB 3.82Å; V249-I282 HydrophobicContact CG2-CD1 4.33Å; V249-I282 HydrophobicContact CG2-CG1 4.32Å; V249-I282 PolarHBondContact N-O 3.39Å; V249-I282 PolarHBondContact O-N 3.45Å; I280-I282 HydrophobicContact CD1-CD1 4.03Å; I280-I282 HydrophobicContact CD1-CG1 3.33Å; I282-W294 HydrophobicContact CG2-CB 4.17Å; I282-W294 HydrophobicContact CG2-CD2 4.23Å; I282-W294 HydrophobicContact CG2-CE3 3.85Å; I282-W294 HydrophobicContact CG2-CG 4.41Å; I282-V296 HydrophobicContact CG1-CG2 4.41Å; I282-I321 HydrophobicContact CD1-CG1 4.47Å; I282-V325 HydrophobicContact CD1-CG2 4.23Å
283L98.9Very high98.1Very high0 Ų033.5 Ų33.50%020%0.198CC..EExtended strand (participates in β ladder)trans-126.42.4-173.167.6145.8000114.2A86 R87 I96 P248 L295 A297 F309A86-L283 HydrophobicContact CB-CB 4.15Å; A86-L283 WeakPolarHBondContact CB-O 3.4Å; A86-L283 PolarHBondContact N-O 2.89Å; R87-L283 HydrophobicContact CG-CD1 3.82Å; I96-L283 HydrophobicContact CG2-CD1 4.19Å; P248-L283 HydrophobicContact CB-CB 4.05Å; P248-L283 HydrophobicContact CG-CB 3.74Å; L283-L295 HydrophobicContact CD1-CD2 4.07Å; L283-L295 HydrophobicContact CD1-CG 4.46Å; L283-L295 HydrophobicContact CD2-CG 4.21Å; L283-L295 HydrophobicContact CG-CD2 4.04Å; L283-L295 HydrophobicContact CG-CG 4.04Å; L283-L295 PolarHBondContact N-O 2.84Å; L283-A297 HydrophobicContact CD2-CB 3.81Å; L283-F309 HydrophobicContact CD1-CE1 4.09Å; L283-F309 HydrophobicContact CD2-CD1 4.21Å; L283-F309 HydrophobicContact CD2-CE1 4.19Å
284G98.9Very high98.4Very high0 Ų028.9 Ų28.90%018%0.176CC..EExtended strand (participates in β ladder)trans179.6-174.217900000114.4F84 L295F84-G284 CarbonylContact O-C 3.52Å; F84-G284 WeakPolarHBondContact O-CA 2.95Å; G284-L295 PolarHBondContact N-O 3.42Å; G284-L295 PolarHBondContact O-N 2.92Å
285W98.9Very high98.5Very high2 Ų224.5 Ų24.51%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-154.7164.9177.562.587.9000110.9L80 P81 S83 F84 M240 I243 Y244 Y293 W294L80-W285 HydrophobicContact CD2-CH2 4.44Å; L80-W285 HydrophobicContact CD2-CZ2 4.37Å; P81-W285 HydrophobicContact CG-CZ2 3.98Å; P81-W285 PolarHBondContact O-NE1 3.43Å; S83-W285 CarbonylContact C-O 3.51Å; S83-W285 VanDerWaalsContact CA-O 3.28Å; S83-W285 WeakPolarHBondContact CA-O 3.2Å; F84-W285 HydrophobicContact CB-CD2 3.71Å; F84-W285 HydrophobicContact CB-CE3 3.86Å; F84-W285 HydrophobicContact CB-CG 4.48Å; F84-W285 HydrophobicContact CB-CH2 3.42Å; F84-W285 VanDerWaalsContact CB-CH2 3.42Å; F84-W285 HydrophobicContact CB-CZ2 3.29Å; F84-W285 HydrophobicContact CB-CZ3 3.71Å; F84-W285 HydrophobicContact CD1-CE3 4.06Å; F84-W285 AromaticContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CH2 3.69Å; F84-W285 HydrophobicContact CD1-CZ2 4.46Å; F84-W285 AromaticContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD1-CZ3 3.46Å; F84-W285 VanDerWaalsContact CD1-CZ3 3.46Å; F84-W285 HydrophobicContact CD2-CH2 4.07Å; F84-W285 HydrophobicContact CD2-CZ2 4.42Å; F84-W285 HydrophobicContact CE1-CH2 4.48Å; F84-W285 HydrophobicContact CE1-CZ3 4.26Å; F84-W285 HydrophobicContact CG-CE3 4.28Å; F84-W285 AromaticContact CG-CH2 3.45Å; F84-W285 HydrophobicContact CG-CH2 3.45Å; F84-W285 VanDerWaalsContact CG-CH2 3.45Å; F84-W285 AromaticContact CG-CZ2 3.84Å; F84-W285 HydrophobicContact CG-CZ2 3.84Å; F84-W285 AromaticContact CG-CZ3 3.7Å; F84-W285 HydrophobicContact CG-CZ3 3.7Å; F84-W285 PolarHBondContact N-O 3.37Å; F84-W285 PolarHBondContact O-N 3.31Å; M240-W285 HydrophobicContact CB-CD2 4.3Å; M240-W285 HydrophobicContact CB-CE3 4.17Å; M240-W285 HydrophobicContact CB-CH2 4.08Å; M240-W285 HydrophobicContact CB-CZ2 4.15Å; M240-W285 HydrophobicContact CB-CZ3 4.08Å; M240-W285 HydrophobicContact CE-CD2 4.05Å; M240-W285 VanDerWaalsContact CE-CE2 3.47Å; M240-W285 HydrophobicContact CE-CG 4.13Å; M240-W285 HydrophobicContact CE-CZ2 3.98Å; M240-W285 HydrophobicContact CG-CD2 3.83Å; M240-W285 HydrophobicContact CG-CE3 4Å; M240-W285 HydrophobicContact CG-CG 4.23Å; M240-W285 HydrophobicContact CG-CZ2 4.45Å; M240-W285 HydrophobicContact CG-CZ3 4.42Å; M240-W285 WeakPolarHBondContact O-CH2 3.5Å; M240-W285 WeakPolarHBondContact O-CZ3 2.87Å; I243-W285 HydrophobicContact CB-CZ3 3.96Å; I243-W285 HydrophobicContact CG2-CZ3 3.89Å; Y244-W285 HydrophobicContact CD2-CH2 4.24Å; W285-Y293 VanDerWaalsContact CA-O 3.24Å; W285-Y293 WeakPolarHBondContact CA-O 3.41Å; W285-Y293 WeakPolarHBondContact CB-O 3.38Å; W285-W294 HydrophobicContact CB-CE3 3.93Å; W285-W294 HydrophobicContact CB-CZ3 4.08Å; W285-W294 HydrophobicContact CE3-CZ3 4.22Å
286G98.9Very high98.7Very high0 Ų023.9 Ų23.90%015%0.151CC..EExtended strand (participates in β ladder)trans-171.9-163.3170.300000112.6S83 P292 Y293 R314S83-G286 VanDerWaalsContact OG-CA 3.31Å; S83-G286 WeakPolarHBondContact OG-CA 3.32Å; G286-P292 WeakPolarHBondContact O-CA 3.15Å; G286-Y293 PolarHBondContact N-O 2.99Å; G286-Y293 PolarHBondContact O-N 3.05Å; G286-R314 PolarHBondContact O-NH2 3.26Å
287V98.8Very high98.8Very high78 Ų7822.9 Ų22.947%0.47314%0.142SC..EExtended strand (participates in β ladder)trans-131.6123.4172.7-178.90000108T291V287-T291 WeakPolarHBondContact CA-O 3.32Å
288E98.6Very high98.8Very high52 Ų5222.6 Ų22.624%0.24314%0.138CC..EExtended strand (participates in β ladder)trans-117.8119.9177.1-173.6174.1120.200109.1G265 V266 G290 T291 Y293 K311G265-E288 WeakPolarHBondContact CA-OE1 3.35Å; V266-E288 HydrophobicContact CG2-CB 3.96Å; E288-G290 PolarHBondContact O-N 2.99Å; E288-G290 VanDerWaalsContact O-N 3.14Å; E288-T291 PolarHBondContact N-O 2.79Å; E288-T291 WeakPolarHBondContact O-CB 3.12Å; E288-T291 PolarHBondContact O-N 3.41Å; E288-Y293 HydrophobicContact CB-CD1 3.91Å; E288-Y293 HydrophobicContact CB-CE1 3.78Å; E288-K311 IonicContact OE2-NZ 2.66Å; E288-K311 PolarHBondContact OE2-NZ 3.42Å
289N97.5Very high98.7Very high159 Ų15922.8 Ų22.885%0.8514%0.139SC*.THydrogen-bonded Turntrans49.640.9-178-60.2-37.9000113.3T291N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 3.36Å
290G98.1Very high98.7Very high66 Ų6622.8 Ų22.868%0.6814%0.139SC*.THydrogen-bonded Turntrans81.6-1.8-178.300000115.3E288E288-G290 PolarHBondContact O-N 2.99Å; E288-G290 VanDerWaalsContact O-N 3.14Å
291T98.7Very high98.5Very high22 Ų2223.6 Ų23.614%0.13514%0.144CC..EExtended strand (participates in β ladder)trans-99.7117.7-179.4-50.20000110.6T40 V266 V287 E288 N289 L313T40-T291 HydrophobicContact CG2-CG2 3.96Å; T40-T291 VanDerWaalsContact CG2-OG1 3.25Å; T40-T291 WeakPolarHBondContact CG2-OG1 3.47Å; V266-T291 HydrophobicContact CB-CG2 3.97Å; V266-T291 HydrophobicContact CG1-CG2 3.78Å; V266-T291 HydrophobicContact CG2-CG2 4.24Å; V287-T291 WeakPolarHBondContact CA-O 3.32Å; E288-T291 PolarHBondContact N-O 2.79Å; E288-T291 WeakPolarHBondContact O-CB 3.12Å; E288-T291 PolarHBondContact O-N 3.41Å; N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 3.36Å; T291-L313 HydrophobicContact CG2-CD1 3.74Å
292P98.9Very high98.3Very high42 Ų4227 Ų2727%0.27317%0.165SC..EExtended strand (participates in β ladder)trans-69.4138.6175.829.4-34.2000111G286 R314G286-P292 WeakPolarHBondContact O-CA 3.15Å; P292-R314 HydrophobicContact CB-CB 4.41Å; P292-R314 PolarHBondContact O-N 3.2Å
293Y98.9Very high98.1Very high35 Ų3528.6 Ų28.614%0.13717%0.173CC..EExtended strand (participates in β ladder)trans-139.5158.3-179.168.7-99.1000113.8V266 W285 G286 E288 L295 K311 I312 R314V266-Y293 HydrophobicContact CG2-CD1 3.9Å; V266-Y293 HydrophobicContact CG2-CG 4.13Å; W285-Y293 VanDerWaalsContact CA-O 3.24Å; W285-Y293 WeakPolarHBondContact CA-O 3.41Å; W285-Y293 WeakPolarHBondContact CB-O 3.38Å; G286-Y293 PolarHBondContact N-O 2.99Å; G286-Y293 PolarHBondContact O-N 3.05Å; E288-Y293 HydrophobicContact CB-CD1 3.91Å; E288-Y293 HydrophobicContact CB-CE1 3.78Å; Y293-L295 HydrophobicContact CE2-CB 4.27Å; Y293-K311 HydrophobicContact CD1-CD 4.23Å; Y293-K311 HydrophobicContact CD2-CB 3.83Å; Y293-K311 HydrophobicContact CD2-CD 3.92Å; Y293-K311 HydrophobicContact CD2-CG 3.6Å; Y293-K311 HydrophobicContact CE1-CD 4.17Å; Y293-K311 HydrophobicContact CE2-CD 3.88Å; Y293-K311 HydrophobicContact CE2-CG 3.85Å; Y293-K311 HydrophobicContact CG-CB 3.94Å; Y293-K311 HydrophobicContact CG-CD 4.12Å; Y293-K311 HydrophobicContact CG-CG 4.09Å; Y293-I312 CarbonylContact C-O 3.56Å; Y293-I312 WeakPolarHBondContact CA-O 3.17Å; Y293-R314 VanDerWaalsContact C-CB 3.49Å; Y293-R314 PolarHBondContact O-NE 3.4Å
294W99Very high98Very high0 Ų028.6 Ų28.60%017%0.173CC..EExtended strand (participates in β ladder)trans-92.7136.5159.8-66116.2000109.8E236 I239 M240 I243 I282 W285 V296 K311 I312 R314 E322E236-W294 HydrophobicContact CG-CZ2 4.23Å; I239-W294 HydrophobicContact CB-CH2 3.72Å; I239-W294 HydrophobicContact CB-CZ2 4.1Å; I239-W294 HydrophobicContact CD1-CZ2 4.39Å; I239-W294 HydrophobicContact CG2-CH2 3.47Å; I239-W294 VanDerWaalsContact CG2-CH2 3.47Å; I239-W294 HydrophobicContact CG2-CZ2 3.93Å; I239-W294 HydrophobicContact CG2-CZ3 3.9Å; M240-W294 HydrophobicContact CB-CH2 4.5Å; M240-W294 HydrophobicContact CG-CH2 3.55Å; M240-W294 HydrophobicContact CG-CZ3 3.72Å; I243-W294 HydrophobicContact CD1-CZ3 4.25Å; I282-W294 HydrophobicContact CG2-CB 4.17Å; I282-W294 HydrophobicContact CG2-CD2 4.23Å; I282-W294 HydrophobicContact CG2-CE3 3.85Å; I282-W294 HydrophobicContact CG2-CG 4.41Å; W285-W294 HydrophobicContact CB-CE3 3.93Å; W285-W294 HydrophobicContact CB-CZ3 4.08Å; W285-W294 HydrophobicContact CE3-CZ3 4.22Å; W294-V296 HydrophobicContact CB-CG2 3.93Å; W294-K311 VanDerWaalsContact O-CA 3.24Å; W294-K311 WeakPolarHBondContact O-CA 3.09Å; W294-I312 HydrophobicContact CB-CG2 3.99Å; W294-I312 PolarHBondContact N-O 3.46Å; W294-I312 PolarHBondContact O-N 3Å; W294-R314 HydrophobicContact CD2-CB 4.13Å; W294-R314 HydrophobicContact CD2-CG 3.9Å; W294-R314 VanDerWaalsContact CE2-CD 3.45Å; W294-R314 HydrophobicContact CG-CB 3.98Å; W294-R314 HydrophobicContact CG-CG 4.29Å; W294-R314 HydrophobicContact CH2-CG 4.32Å; W294-R314 HydrophobicContact CZ2-CG 3.64Å; W294-E322 HydrophobicContact CZ2-CG 4.16Å; W294-E322 PolarHBondContact NE1-OE1 2.76Å
295L99Very high97.9Very high13 Ų1329.3 Ų29.37%0.06818%0.181CC..EExtended strand (participates in β ladder)trans-90121.5169.5174.965.7000108.4D85 L283 G284 Y293 F309D85-L295 HydrophobicContact CB-CD2 4.34Å; D85-L295 WeakPolarHBondContact OD2-CD2 3.18Å; L283-L295 HydrophobicContact CD1-CD2 4.07Å; L283-L295 HydrophobicContact CD1-CG 4.46Å; L283-L295 HydrophobicContact CD2-CG 4.21Å; L283-L295 HydrophobicContact CG-CD2 4.04Å; L283-L295 HydrophobicContact CG-CG 4.04Å; L283-L295 PolarHBondContact N-O 2.84Å; G284-L295 PolarHBondContact N-O 3.42Å; G284-L295 PolarHBondContact O-N 2.92Å; Y293-L295 HydrophobicContact CE2-CB 4.27Å; L295-F309 HydrophobicContact CD1-CB 4.49Å
296V99Very high97.9Very high0 Ų032.3 Ų32.30%020%0.197CC..EExtended strand (participates in β ladder)trans-131.1134.8-168.7-170.90000110.4I280 R281 I282 W294 F309 F310 I312I280-V296 HydrophobicContact CB-CG1 3.54Å; I280-V296 HydrophobicContact CD1-CG1 3.64Å; I280-V296 HydrophobicContact CG1-CG1 3.61Å; I280-V296 HydrophobicContact CG2-CG1 4.14Å; R281-V296 WeakPolarHBondContact O-CA 3.3Å; R281-V296 WeakPolarHBondContact O-CG1 3.45Å; I282-V296 HydrophobicContact CG1-CG2 4.41Å; W294-V296 HydrophobicContact CB-CG2 3.93Å; V296-F309 CarbonylContact O-C 3.58Å; V296-F309 VanDerWaalsContact O-CA 3.28Å; V296-F309 WeakPolarHBondContact O-CA 3.48Å; V296-F310 HydrophobicContact CB-CD1 4.01Å; V296-F310 HydrophobicContact CB-CD2 4.34Å; V296-F310 HydrophobicContact CB-CE1 3.61Å; V296-F310 HydrophobicContact CB-CE2 3.97Å; V296-F310 HydrophobicContact CB-CG 4.37Å; V296-F310 HydrophobicContact CB-CZ 3.6Å; V296-F310 HydrophobicContact CG1-CD1 4.2Å; V296-F310 HydrophobicContact CG1-CE1 3.36Å; V296-F310 HydrophobicContact CG1-CE2 4.19Å; V296-F310 HydrophobicContact CG1-CZ 3.36Å; V296-F310 HydrophobicContact CG2-CE2 4.21Å; V296-F310 HydrophobicContact CG2-CZ 4.19Å; V296-F310 PolarHBondContact N-O 2.78Å; V296-F310 PolarHBondContact O-N 3.29Å; V296-I312 HydrophobicContact CG2-CG2 3.93Å
297A98.9Very high97.8Very high1 Ų137.6 Ų37.61%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-92132.3169.500000109.4I99 R281 L283 F309I99-A297 HydrophobicContact CD1-CB 3.63Å; R281-A297 HydrophobicContact CB-CB 4.38Å; R281-A297 PolarHBondContact N-O 3.33Å; R281-A297 PolarHBondContact O-N 3.03Å; L283-A297 HydrophobicContact CD2-CB 3.81Å; A297-F309 HydrophobicContact CB-CD1 3.97Å; A297-F309 HydrophobicContact CB-CE1 3.86Å
298N98.6Very high97.8Very high1 Ų133.9 Ų33.91%0.00520%0.203CC..  trans-97.1168.4174.4-157.10.2000110.7H278 W300 W304 G308 F310H278-N298 PolarHBondContact NE2-OD1 3.02Å; N298-W300 VanDerWaalsContact ND2-CD2 3.29Å; N298-W304 HydrophobicContact CB-CE3 3.94Å; N298-W304 HydrophobicContact CB-CZ3 3.78Å; N298-W304 VanDerWaalsContact ND2-CE3 3.28Å; N298-W304 WeakPolarHBondContact ND2-CH2 3.31Å; N298-W304 WeakPolarHBondContact ND2-CZ3 3.45Å; N298-G308 VanDerWaalsContact CB-O 3.24Å; N298-G308 WeakPolarHBondContact CB-O 3.5Å; N298-G308 PolarHBondContact N-O 2.83Å; N298-F310 HydrophobicContact CB-CD1 4.18Å; N298-F310 HydrophobicContact CB-CE1 4.15Å
299S98.3Very high97.8Very high4 Ų432.2 Ų32.23%0.02820%0.195CC..SBendtrans-113.227.4-17952.50000112.7R100 D101 Q102R100-S299 CarbonylContact O-C 3.43Å; R100-S299 VanDerWaalsContact O-C 3.25Å; R100-S299 WeakPolarHBondContact O-CA 3.19Å; D101-S299 WeakPolarHBondContact CA-O 3.26Å; Q102-S299 WeakPolarHBondContact CG-O 3.2Å; Q102-S299 PolarHBondContact N-O 3.23Å; Q102-S299 PolarHBondContact OE1-OG 3.32Å
300W97.1Very high97.8Very high0 Ų024.7 Ų24.70%015%0.154CC..BIsolated β-bridgetrans-116.338.3-177.6-53.9-20.2000111.8F47 L58 Q102 F259 L260 H278 N298 W304F47-W300 HydrophobicContact CE2-CE3 4.4Å; F47-W300 HydrophobicContact CE2-CZ3 4.48Å; F47-W300 HydrophobicContact CZ-CD2 4.44Å; F47-W300 AromaticContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CE3 3.82Å; F47-W300 HydrophobicContact CZ-CZ3 4.25Å; L58-W300 HydrophobicContact CB-CZ2 3.95Å; L58-W300 HydrophobicContact CD1-CD2 4.06Å; L58-W300 HydrophobicContact CD1-CG 4.28Å; L58-W300 HydrophobicContact CD1-CZ2 4.47Å; L58-W300 HydrophobicContact CD2-CG 4.44Å; Q102-W300 VanDerWaalsContact OE1-CD1 3.28Å; Q102-W300 VanDerWaalsContact OE1-NE1 3.11Å; F259-W300 HydrophobicContact CD1-CH2 4.03Å; F259-W300 HydrophobicContact CD1-CZ3 4.1Å; F259-W300 AromaticContact CE1-CH2 3.84Å; F259-W300 HydrophobicContact CE1-CH2 3.84Å; F259-W300 AromaticContact CE1-CZ3 3.81Å; F259-W300 HydrophobicContact CE1-CZ3 3.81Å; L260-W300 HydrophobicContact CD2-CH2 3.79Å; L260-W300 HydrophobicContact CD2-CZ3 3.85Å; H278-W300 AromaticContact CD2-CZ2 3.79Å; H278-W300 AromaticContact CE1-CE2 3.64Å; H278-W300 AromaticContact CE1-CZ2 3.69Å; H278-W300 AromaticContact CE1-NE1 3.26Å; H278-W300 PolarHBondContact CE1-NE1 2.79Å; H278-W300 VanDerWaalsContact CE1-NE1 3.26Å; H278-W300 AromaticContact ND1-CZ2 3.97Å; H278-W300 AromaticContact NE2-CE2 3.61Å; H278-W300 AromaticContact NE2-CZ2 3.56Å; H278-W300 AromaticContact NE2-NE1 3.6Å; N298-W300 VanDerWaalsContact ND2-CD2 3.29Å; W300-W304 HydrophobicContact CB-CB 4.34Å; W300-W304 HydrophobicContact CB-CG 4.43Å; W300-W304 AromaticContact CE3-CD1 3.79Å; W300-W304 AromaticContact CE3-CD2 3.98Å; W300-W304 HydrophobicContact CE3-CD2 3.98Å; W300-W304 AromaticContact CE3-CE2 3.67Å; W300-W304 HydrophobicContact CE3-CG 4.09Å; W300-W304 HydrophobicContact CE3-CZ2 4.21Å; W300-W304 AromaticContact CE3-NE1 3.56Å; W300-W304 AromaticContact CZ3-CE2 3.82Å; W300-W304 AromaticContact CZ3-CZ2 3.98Å; W300-W304 HydrophobicContact CZ3-CZ2 3.98Å; W300-W304 AromaticContact CZ3-NE1 3.73Å
301N95.5Very high97.9Very high20 Ų2023.3 Ų23.311%0.10713%0.13CC..  trans67171.4179.9-142-49.9000114.4R100 D101 R195 D303 G308R100-N301 PolarHBondContact O-N 2.98Å; R100-N301 VanDerWaalsContact O-N 3.11Å; D101-N301 HydrophobicContact CB-CB 4.09Å; D101-N301 WeakPolarHBondContact OD2-CB 3.42Å; D101-N301 PolarHBondContact OD2-ND2 3.22Å; R195-N301 VanDerWaalsContact CZ-ND2 3.29Å; R195-N301 PolarHBondContact NH1-ND2 3.04Å; R195-N301 VanDerWaalsContact NH1-ND2 3.15Å; R195-N301 PolarHBondContact NH2-ND2 3.41Å; R195-N301 PolarHBondContact NH2-OD1 3.4Å; N301-D303 VanDerWaalsContact C-N 3.31Å; N301-D303 PolarHBondContact O-N 2.99Å; N301-G308 VanDerWaalsContact O-CA 3.29Å; N301-G308 WeakPolarHBondContact O-CA 3.43Å
302T95.8Very high97.9Very high73 Ų7322.2 Ų22.245%0.44812%0.123SC..THydrogen-bonded Turntrans-79.4-12.5-175.353.60000113.8I99 W304 N307 G308I99-T302 HydrophobicContact CB-CG2 3.71Å; I99-T302 HydrophobicContact CG1-CG2 4.28Å; I99-T302 HydrophobicContact CG2-CG2 3.91Å; T302-W304 VanDerWaalsContact C-N 3.35Å; T302-N307 CarbonylContact O-C 3.58Å; T302-N307 VanDerWaalsContact O-C 3.31Å; T302-N307 WeakPolarHBondContact O-CA 3.49Å; T302-G308 PolarHBondContact O-N 3.16Å
303D93.7Very high97.9Very high32 Ų3220.4 Ų20.417%0.17111%0.111CC..THydrogen-bonded Turntrans-85.4-9.3-178.552.718.1000113.1H189 H190 R195 N301H189-D303 IonicContact CE1-OD1 3.36Å; H189-D303 PolarHBondContact CE1-OD1 3.2Å; H189-D303 IonicContact NE2-OD1 3.13Å; H190-D303 HydrophobicContact CB-CB 4.31Å; H190-D303 IonicContact CE1-OD2 3.44Å; H190-D303 PolarHBondContact CE1-OD2 3.15Å; H190-D303 IonicContact CG-OD2 2.69Å; H190-D303 VanDerWaalsContact ND1-CG 3.26Å; H190-D303 IonicContact ND1-OD2 2.56Å; H190-D303 PolarHBondContact ND1-OD2 3.49Å; H190-D303 IonicContact NE2-OD2 3.27Å; R195-D303 IonicContact CZ-OD2 3.95Å; R195-D303 IonicContact NH1-OD2 3.78Å; R195-D303 PolarHBondContact NH1-OD2 3.42Å; R195-D303 IonicContact NH2-OD2 2.99Å; N301-D303 VanDerWaalsContact C-N 3.31Å; N301-D303 PolarHBondContact O-N 2.99Å
304W96.1Very high97.9Very high0 Ų019.6 Ų19.60%011%0.108CC..SBendtrans-89.5140170.6-179.494.9000111.4N46 F47 F259 L260 Y262 N298 W300 T302 G308 F310N46-W304 VanDerWaalsContact CB-CD1 3.43Å; N46-W304 HydrophobicContact CB-CG 4.32Å; F47-W304 AromaticContact CE2-CD1 3.56Å; F47-W304 AromaticContact CE2-NE1 3.66Å; F47-W304 AromaticContact CZ-CD1 3.63Å; F259-W304 HydrophobicContact CD1-CZ2 4.2Å; F259-W304 AromaticContact CE1-CH2 3.78Å; F259-W304 HydrophobicContact CE1-CH2 3.78Å; F259-W304 AromaticContact CE1-CZ2 3.59Å; F259-W304 HydrophobicContact CE1-CZ2 3.59Å; F259-W304 AromaticContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CH2 3.98Å; F259-W304 HydrophobicContact CE2-CZ2 4.24Å; F259-W304 AromaticContact CZ-CH2 3.35Å; F259-W304 HydrophobicContact CZ-CH2 3.35Å; F259-W304 AromaticContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ2 3.63Å; F259-W304 HydrophobicContact CZ-CZ3 4.5Å; L260-W304 PolarHBondContact O-NE1 3.42Å; Y262-W304 AromaticContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CH2 3.94Å; Y262-W304 HydrophobicContact CD1-CZ2 4.39Å; Y262-W304 HydrophobicContact CD1-CZ3 4.33Å; Y262-W304 HydrophobicContact CG-CH2 4.36Å; N298-W304 HydrophobicContact CB-CE3 3.94Å; N298-W304 HydrophobicContact CB-CZ3 3.78Å; N298-W304 VanDerWaalsContact ND2-CE3 3.28Å; N298-W304 WeakPolarHBondContact ND2-CH2 3.31Å; N298-W304 WeakPolarHBondContact ND2-CZ3 3.45Å; W300-W304 HydrophobicContact CB-CB 4.34Å; W300-W304 HydrophobicContact CB-CG 4.43Å; W300-W304 AromaticContact CE3-CD1 3.79Å; W300-W304 AromaticContact CE3-CD2 3.98Å; W300-W304 HydrophobicContact CE3-CD2 3.98Å; W300-W304 AromaticContact CE3-CE2 3.67Å; W300-W304 HydrophobicContact CE3-CG 4.09Å; W300-W304 HydrophobicContact CE3-CZ2 4.21Å; W300-W304 AromaticContact CE3-NE1 3.56Å; W300-W304 AromaticContact CZ3-CE2 3.82Å; W300-W304 AromaticContact CZ3-CZ2 3.98Å; W300-W304 HydrophobicContact CZ3-CZ2 3.98Å; W300-W304 AromaticContact CZ3-NE1 3.73Å; T302-W304 VanDerWaalsContact C-N 3.35Å; W304-G308 VanDerWaalsContact O-CA 3.24Å; W304-G308 WeakPolarHBondContact O-CA 3.2Å; W304-G308 PolarHBondContact O-N 3.19Å; W304-F310 HydrophobicContact CH2-CB 3.83Å; W304-F310 AromaticContact CH2-CD1 3.8Å; W304-F310 HydrophobicContact CH2-CD1 3.8Å; W304-F310 AromaticContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CZ3-CB 3.89Å; W304-F310 AromaticContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CG 4.11Å
305G97.3Very high97.9Very high16 Ų1621.2 Ų21.217%0.16512%0.124CC..THydrogen-bonded Turntrans63.9-136.1172.600000114N46 Y262 K263N46-G305 PolarHBondContact OD1-N 3.13Å; Y262-G305 WeakPolarHBondContact O-CA 3.33Å; K263-G305 CarbonylContact O-C 3.51Å
306D98.3Very high97.8Very high65 Ų6527.2 Ų27.235%0.34815%0.152SC..BIsolated β-bridgetrans-99.583.2176.8-177.310.2000109.5G308 F309D306-G308 VanDerWaalsContact C-N 3.28Å; D306-G308 PolarHBondContact O-N 3.08Å; D306-F309 PolarHBondContact N-O 3.21Å; D306-F309 WeakPolarHBondContact O-CB 3.4Å; D306-F309 PolarHBondContact O-N 3.26Å
307N97.8Very high97.8Very high110 Ų11029.2 Ų29.259%0.58816%0.163SC*.THydrogen-bonded Turntrans57.936.7-177.8-58.3-81.5000113.3T302 F309T302-N307 CarbonylContact O-C 3.58Å; T302-N307 VanDerWaalsContact O-C 3.31Å; T302-N307 WeakPolarHBondContact O-CA 3.49Å; N307-F309 VanDerWaalsContact C-N 3.26Å; N307-F309 HydrophobicContact CB-CD2 4.44Å; N307-F309 VanDerWaalsContact O-CD2 3.27Å; N307-F309 WeakPolarHBondContact O-CD2 3.2Å; N307-F309 PolarHBondContact O-N 2.98Å
308G98Very high97.8Very high0 Ų030.6 Ų30.60%017%0.169CC..THydrogen-bonded Turntrans83.3-6.1-174.300000114.7N298 N301 T302 W304 D306N298-G308 VanDerWaalsContact CB-O 3.24Å; N298-G308 WeakPolarHBondContact CB-O 3.5Å; N298-G308 PolarHBondContact N-O 2.83Å; N301-G308 VanDerWaalsContact O-CA 3.29Å; N301-G308 WeakPolarHBondContact O-CA 3.43Å; T302-G308 PolarHBondContact O-N 3.16Å; W304-G308 VanDerWaalsContact O-CA 3.24Å; W304-G308 WeakPolarHBondContact O-CA 3.2Å; W304-G308 PolarHBondContact O-N 3.19Å; D306-G308 VanDerWaalsContact C-N 3.28Å; D306-G308 PolarHBondContact O-N 3.08Å
309F98.9Very high97.8Very high17 Ų1731.7 Ų31.78%0.07518%0.177CC..EExtended strand (participates in β ladder)trans-97.6162.2174.5-57.5-93.1000111.2R87 I99 L283 L295 V296 A297 D306 N307R87-F309 VanDerWaalsContact NH1-CZ 3.33Å; I99-F309 HydrophobicContact CD1-CD1 4.11Å; I99-F309 HydrophobicContact CD1-CD2 4.11Å; I99-F309 HydrophobicContact CD1-CE1 3.79Å; I99-F309 HydrophobicContact CD1-CE2 3.77Å; I99-F309 HydrophobicContact CD1-CG 4.26Å; I99-F309 HydrophobicContact CD1-CZ 3.59Å; I99-F309 HydrophobicContact CG1-CD2 4.19Å; I99-F309 HydrophobicContact CG1-CE1 4.46Å; I99-F309 HydrophobicContact CG1-CE2 3.61Å; I99-F309 HydrophobicContact CG1-CZ 3.76Å; L283-F309 HydrophobicContact CD1-CE1 4.09Å; L283-F309 HydrophobicContact CD2-CD1 4.21Å; L283-F309 HydrophobicContact CD2-CE1 4.19Å; L295-F309 HydrophobicContact CD1-CB 4.49Å; V296-F309 CarbonylContact O-C 3.58Å; V296-F309 VanDerWaalsContact O-CA 3.28Å; V296-F309 WeakPolarHBondContact O-CA 3.48Å; A297-F309 HydrophobicContact CB-CD1 3.97Å; A297-F309 HydrophobicContact CB-CE1 3.86Å; D306-F309 PolarHBondContact N-O 3.21Å; D306-F309 WeakPolarHBondContact O-CB 3.4Å; D306-F309 PolarHBondContact O-N 3.26Å; N307-F309 VanDerWaalsContact C-N 3.26Å; N307-F309 HydrophobicContact CB-CD2 4.44Å; N307-F309 VanDerWaalsContact O-CD2 3.27Å; N307-F309 WeakPolarHBondContact O-CD2 3.2Å; N307-F309 PolarHBondContact O-N 2.98Å
310F98.9Very high97.8Very high1 Ų132.5 Ų32.50%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-148.4165.7167.267.7-78.9000110.9F253 F259 Y262 I280 V296 N298 W304 I312F253-F310 AromaticContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CE1-CZ 3.97Å; F253-F310 HydrophobicContact CZ-CE2 4.33Å; F253-F310 AromaticContact CZ-CZ 3.99Å; F253-F310 HydrophobicContact CZ-CZ 3.99Å; F259-F310 AromaticContact CE2-CD2 3.58Å; F259-F310 HydrophobicContact CE2-CD2 3.58Å; F259-F310 AromaticContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CE2 3.63Å; F259-F310 HydrophobicContact CE2-CG 4.06Å; F259-F310 HydrophobicContact CE2-CZ 4.16Å; F259-F310 HydrophobicContact CZ-CD1 4.05Å; F259-F310 AromaticContact CZ-CD2 3.84Å; F259-F310 HydrophobicContact CZ-CD2 3.84Å; F259-F310 AromaticContact CZ-CE1 3.91Å; F259-F310 HydrophobicContact CZ-CE1 3.91Å; F259-F310 AromaticContact CZ-CE2 3.69Å; F259-F310 HydrophobicContact CZ-CE2 3.69Å; F259-F310 AromaticContact CZ-CG 4Å; F259-F310 HydrophobicContact CZ-CG 4Å; F259-F310 AromaticContact CZ-CZ 3.71Å; F259-F310 HydrophobicContact CZ-CZ 3.71Å; Y262-F310 HydrophobicContact CD1-CB 3.63Å; Y262-F310 HydrophobicContact CE1-CB 3.3Å; Y262-F310 HydrophobicContact CE2-CB 4.3Å; Y262-F310 HydrophobicContact CG-CB 4.27Å; I280-F310 HydrophobicContact CG2-CE1 4.18Å; I280-F310 HydrophobicContact CG2-CZ 4.18Å; V296-F310 HydrophobicContact CB-CD1 4.01Å; V296-F310 HydrophobicContact CB-CD2 4.34Å; V296-F310 HydrophobicContact CB-CE1 3.61Å; V296-F310 HydrophobicContact CB-CE2 3.97Å; V296-F310 HydrophobicContact CB-CG 4.37Å; V296-F310 HydrophobicContact CB-CZ 3.6Å; V296-F310 HydrophobicContact CG1-CD1 4.2Å; V296-F310 HydrophobicContact CG1-CE1 3.36Å; V296-F310 HydrophobicContact CG1-CE2 4.19Å; V296-F310 HydrophobicContact CG1-CZ 3.36Å; V296-F310 HydrophobicContact CG2-CE2 4.21Å; V296-F310 HydrophobicContact CG2-CZ 4.19Å; V296-F310 PolarHBondContact N-O 2.78Å; V296-F310 PolarHBondContact O-N 3.29Å; N298-F310 HydrophobicContact CB-CD1 4.18Å; N298-F310 HydrophobicContact CB-CE1 4.15Å; W304-F310 HydrophobicContact CH2-CB 3.83Å; W304-F310 AromaticContact CH2-CD1 3.8Å; W304-F310 HydrophobicContact CH2-CD1 3.8Å; W304-F310 AromaticContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CH2-CG 3.92Å; W304-F310 HydrophobicContact CZ3-CB 3.89Å; W304-F310 AromaticContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CD1 3.71Å; W304-F310 HydrophobicContact CZ3-CG 4.11Å; F310-I312 HydrophobicContact CD2-CB 4.22Å; F310-I312 HydrophobicContact CE2-CB 3.96Å; F310-I312 HydrophobicContact CE2-CG2 3.99Å
311K98.9Very high97.9Very high37 Ų3732.5 Ų32.516%0.16119%0.186CC..EExtended strand (participates in β ladder)trans-115.5136.5171.2-59.9164.1-174.5150.30108.9Y262 G265 V266 Y267 E288 Y293 W294Y262-K311 PolarHBondContact OH-N 3.39Å; G265-K311 WeakPolarHBondContact O-CB 3.4Å; V266-K311 HydrophobicContact CG2-CB 4.35Å; Y267-K311 VanDerWaalsContact CB-O 3.3Å; Y267-K311 WeakPolarHBondContact CB-O 3.36Å; Y267-K311 PolarHBondContact N-O 2.88Å; E288-K311 IonicContact OE2-NZ 2.66Å; E288-K311 PolarHBondContact OE2-NZ 3.42Å; Y293-K311 HydrophobicContact CD1-CD 4.23Å; Y293-K311 HydrophobicContact CD2-CB 3.83Å; Y293-K311 HydrophobicContact CD2-CD 3.92Å; Y293-K311 HydrophobicContact CD2-CG 3.6Å; Y293-K311 HydrophobicContact CE1-CD 4.17Å; Y293-K311 HydrophobicContact CE2-CD 3.88Å; Y293-K311 HydrophobicContact CE2-CG 3.85Å; Y293-K311 HydrophobicContact CG-CB 3.94Å; Y293-K311 HydrophobicContact CG-CD 4.12Å; Y293-K311 HydrophobicContact CG-CG 4.09Å; W294-K311 VanDerWaalsContact O-CA 3.24Å; W294-K311 WeakPolarHBondContact O-CA 3.09Å
312I98.9Very high98Very high0 Ų032 Ų320%018%0.183CC..EExtended strand (participates in β ladder)trans-128.2146.9177.4-176.6166.6000110.1F253 Y267 Y293 W294 V296 F310 R314 I321F253-I312 HydrophobicContact CD2-CD1 4.08Å; F253-I312 HydrophobicContact CE2-CD1 4.39Å; Y267-I312 HydrophobicContact CD1-CD1 3.87Å; Y267-I312 HydrophobicContact CD1-CG1 3.94Å; Y267-I312 HydrophobicContact CE1-CD1 4.28Å; Y293-I312 CarbonylContact C-O 3.56Å; Y293-I312 WeakPolarHBondContact CA-O 3.17Å; W294-I312 HydrophobicContact CB-CG2 3.99Å; W294-I312 PolarHBondContact N-O 3.46Å; W294-I312 PolarHBondContact O-N 3Å; V296-I312 HydrophobicContact CG2-CG2 3.93Å; F310-I312 HydrophobicContact CD2-CB 4.22Å; F310-I312 HydrophobicContact CE2-CB 3.96Å; F310-I312 HydrophobicContact CE2-CG2 3.99Å; I312-R314 PolarHBondContact O-N 2.97Å; I312-I321 HydrophobicContact CD1-CB 4.29Å; I312-I321 HydrophobicContact CD1-CD1 4.48Å; I312-I321 HydrophobicContact CD1-CG1 4.39Å; I312-I321 HydrophobicContact CG2-CD1 4.25Å; I312-I321 HydrophobicContact CG2-CG1 3.87Å
313L98.9Very high98.1Very high4 Ų430.6 Ų30.62%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-52126.9-178.6-176.569.1000112V266 Y267 Q268 T291 Q316 H318V266-L313 HydrophobicContact CG1-CB 4.44Å; Y267-L313 PolarHBondContact O-N 3.16Å; Y267-L313 VanDerWaalsContact O-N 3.17Å; Q268-L313 HydrophobicContact CG-CB 3.9Å; Q268-L313 HydrophobicContact CG-CD1 4.48Å; Q268-L313 HydrophobicContact CG-CD2 3.99Å; Q268-L313 HydrophobicContact CG-CG 4.35Å; T291-L313 HydrophobicContact CG2-CD1 3.74Å; L313-Q316 HydrophobicContact CD2-CB 4.25Å; L313-Q316 HydrophobicContact CD2-CG 4.29Å; L313-H318 HydrophobicContact CB-CB 3.94Å; L313-H318 HydrophobicContact CD2-CB 4.14Å; L313-H318 HydrophobicContact CG-CB 4.35Å
314R98.8Very high98.3Very high17 Ų1731 Ų316%0.06418%0.177CC..THydrogen-bonded Turntrans-104.9150.2179.7169.7171.16185.314111.6E236 G286 P292 Y293 W294 I312E236-R314 HydrophobicContact CG-CG 3.83Å; E236-R314 WeakPolarHBondContact OE1-CG 3.05Å; E236-R314 IonicContact OE1-CZ 3.91Å; E236-R314 IonicContact OE1-NE 3.99Å; E236-R314 IonicContact OE1-NH1 2.98Å; E236-R314 PolarHBondContact OE1-NH1 2.95Å; G286-R314 PolarHBondContact O-NH2 3.26Å; P292-R314 HydrophobicContact CB-CB 4.41Å; P292-R314 PolarHBondContact O-N 3.2Å; Y293-R314 VanDerWaalsContact C-CB 3.49Å; Y293-R314 PolarHBondContact O-NE 3.4Å; W294-R314 HydrophobicContact CD2-CB 4.13Å; W294-R314 HydrophobicContact CD2-CG 3.9Å; W294-R314 VanDerWaalsContact CE2-CD 3.45Å; W294-R314 HydrophobicContact CG-CB 3.98Å; W294-R314 HydrophobicContact CG-CG 4.29Å; W294-R314 HydrophobicContact CH2-CG 4.32Å; W294-R314 HydrophobicContact CZ2-CG 3.64Å; I312-R314 PolarHBondContact O-N 2.97Å
315G98.3Very high98.4Very high34 Ų3431.1 Ų31.135%0.35118%0.177SC..THydrogen-bonded Turntrans84.712.9174.100000114.1E322G315-E322 PolarHBondContact N-OE1 3.07Å
316Q98.5Very high98.5Very high139 Ų13930.8 Ų30.865%0.6517%0.172SC*.THydrogen-bonded Turntrans-135.410.9-179.5-63.3-170.634.600112.7L313 H318L313-Q316 HydrophobicContact CD2-CB 4.25Å; L313-Q316 HydrophobicContact CD2-CG 4.29Å; Q316-H318 PolarHBondContact O-N 2.96Å; Q316-H318 VanDerWaalsContact O-N 3.08Å
317D98.6Very high98.5Very high43 Ų4327.7 Ų27.723%0.2316%0.156CC..THydrogen-bonded Turntrans44.241.5-170.6-165.427.2000112.5C319 G320 I321 E322 S323D317-C319 PolarHBondContact O-N 3.12Å; D317-G320 WeakPolarHBondContact O-CA 3.49Å; D317-G320 PolarHBondContact O-N 2.04Å; D317-G320 WeakPolarHBondContact OD1-CA 3.22Å; D317-I321 PolarHBondContact OD1-N 3.17Å; D317-E322 WeakPolarHBondContact CA-OE2 3.3Å; D317-E322 HydrophobicContact CB-CB 4.26Å; D317-E322 PolarHBondContact N-OE2 2.91Å; D317-E322 VanDerWaalsContact OD1-CA 3.32Å; D317-E322 WeakPolarHBondContact OD1-CA 3.47Å; D317-E322 WeakPolarHBondContact OD1-CB 3.4Å; D317-E322 PolarHBondContact OD1-N 2.97Å; D317-S323 PolarHBondContact OD1-N 2.98Å; D317-S323 VanDerWaalsContact OD1-N 3.09Å; D317-S323 PolarHBondContact OD2-OG 2.81Å
318H98.7Very high98.5Very high30 Ų3022.5 Ų22.514%0.13913%0.128CC..G310 helixtrans-63.2125.8-170.4-178.8-77.5000109.9H269 L313 Q316 G320 I321H269-H318 PolarHBondContact N-CE1 3.31Å; H269-H318 PolarHBondContact N-NE2 2.95Å; L313-H318 HydrophobicContact CB-CB 3.94Å; L313-H318 HydrophobicContact CD2-CB 4.14Å; L313-H318 HydrophobicContact CG-CB 4.35Å; Q316-H318 PolarHBondContact O-N 2.96Å; Q316-H318 VanDerWaalsContact O-N 3.08Å; H318-G320 PolarHBondContact O-N 3.31Å; H318-G320 VanDerWaalsContact O-N 3.15Å; H318-I321 WeakPolarHBondContact O-CB 3.4Å; H318-I321 VanDerWaalsContact O-CG2 3.28Å; H318-I321 WeakPolarHBondContact O-CG2 3.49Å; H318-I321 PolarHBondContact O-N 3.14Å
319C98.5Very high98.5Very high24 Ų2424.1 Ų24.116%0.16214%0.136CC..G310 helixtrans57.116.3-170.8-62.90000114.8F253 S254 D317F253-C319 CarbonylContact C-O 3.57Å; F253-C319 WeakPolarHBondContact CA-O 3.44Å; F253-C319 HydrophobicContact CB-CB 4.2Å; F253-C319 WeakPolarHBondContact CB-O 3.41Å; F253-C319 HydrophobicContact CD2-CB 3.99Å; S254-C319 PolarHBondContact N-O 2.97Å; S254-C319 WeakPolarHBondContact O-CB 3.35Å; D317-C319 PolarHBondContact O-N 3.12Å
320G98.5Very high98.5Very high21 Ų2123.5 Ų23.522%0.21613%0.134CC..G310 helixtrans82.712.2-177.300000114.9A252 D317 H318 E322 S323A252-G320 VanDerWaalsContact O-O 3.1Å; D317-G320 WeakPolarHBondContact O-CA 3.49Å; D317-G320 PolarHBondContact O-N 2.04Å; D317-G320 WeakPolarHBondContact OD1-CA 3.22Å; H318-G320 PolarHBondContact O-N 3.31Å; H318-G320 VanDerWaalsContact O-N 3.15Å; G320-E322 PolarHBondContact O-N 2.66Å; G320-E322 VanDerWaalsContact O-N 3.09Å; G320-S323 WeakPolarHBondContact O-CB 3.49Å; G320-S323 PolarHBondContact O-N 2.82Å
321I98.8Very high98.3Very high0 Ų027.4 Ų27.40%015%0.148CC..THydrogen-bonded Turntrans-59.1-22.9-173.3-166.568.3000114.4F253 I280 I282 I312 D317 H318F253-I321 HydrophobicContact CB-CB 4.17Å; F253-I321 HydrophobicContact CB-CD1 3.8Å; F253-I321 HydrophobicContact CD1-CD1 3.77Å; F253-I321 HydrophobicContact CG-CD1 3.92Å; I280-I321 HydrophobicContact CD1-CD1 3.95Å; I280-I321 HydrophobicContact CG1-CD1 4.04Å; I282-I321 HydrophobicContact CD1-CG1 4.47Å; I312-I321 HydrophobicContact CD1-CB 4.29Å; I312-I321 HydrophobicContact CD1-CD1 4.48Å; I312-I321 HydrophobicContact CD1-CG1 4.39Å; I312-I321 HydrophobicContact CG2-CD1 4.25Å; I312-I321 HydrophobicContact CG2-CG1 3.87Å; D317-I321 PolarHBondContact OD1-N 3.17Å; H318-I321 WeakPolarHBondContact O-CB 3.4Å; H318-I321 VanDerWaalsContact O-CG2 3.28Å; H318-I321 WeakPolarHBondContact O-CG2 3.49Å; H318-I321 PolarHBondContact O-N 3.14Å
322E98.7Very high97.9Very high9 Ų927.5 Ų27.54%0.04215%0.152CC..THydrogen-bonded Turntrans-101-5.1179.5-68.2153.8-166.300112.1N234 I239 W294 G315 D317 G320N234-E322 WeakPolarHBondContact CA-O 3.44Å; N234-E322 WeakPolarHBondContact ND2-CB 3.39Å; N234-E322 PolarHBondContact ND2-O 3.3Å; I239-E322 HydrophobicContact CD1-CB 3.67Å; I239-E322 HydrophobicContact CD1-CG 3.75Å; W294-E322 HydrophobicContact CZ2-CG 4.16Å; W294-E322 PolarHBondContact NE1-OE1 2.76Å; G315-E322 PolarHBondContact N-OE1 3.07Å; D317-E322 WeakPolarHBondContact CA-OE2 3.3Å; D317-E322 HydrophobicContact CB-CB 4.26Å; D317-E322 PolarHBondContact N-OE2 2.91Å; D317-E322 VanDerWaalsContact OD1-CA 3.32Å; D317-E322 WeakPolarHBondContact OD1-CA 3.47Å; D317-E322 WeakPolarHBondContact OD1-CB 3.4Å; D317-E322 PolarHBondContact OD1-N 2.97Å; G320-E322 PolarHBondContact O-N 2.66Å; G320-E322 VanDerWaalsContact O-N 3.09Å
323S97.8Very high97.4Very high44 Ų4431.3 Ų31.331%0.30817%0.173SC..THydrogen-bonded Turntrans-85.4-26-172.4-94.30000114.5D317 G320D317-S323 PolarHBondContact OD1-N 2.98Å; D317-S323 VanDerWaalsContact OD1-N 3.09Å; D317-S323 PolarHBondContact OD2-OG 2.81Å; G320-S323 WeakPolarHBondContact O-CB 3.49Å; G320-S323 PolarHBondContact O-N 2.82Å
324E97.1Very high96.8Very high41 Ų4132 Ų3219%0.19218%0.176CC..SBendtrans-127.343.5-173.2-68.5-169-14600112.7L63 G64 G251 A252L63-E324 VanDerWaalsContact CA-OE1 3.3Å; L63-E324 WeakPolarHBondContact CA-OE1 3.28Å; L63-E324 WeakPolarHBondContact CB-OE1 3.17Å; G64-E324 PolarHBondContact N-OE1 2.75Å; G251-E324 WeakPolarHBondContact CA-O 3.16Å; A252-E324 HydrophobicContact CB-CB 4.13Å
325V98.7Very high95.9Very high2 Ų231.9 Ų31.91%0.01218%0.175CC..  trans-83.1118.9176.5-177.20000110.5V232 I239 V249 E250 I282V232-V325 HydrophobicContact CB-CB 4.14Å; V232-V325 HydrophobicContact CB-CG1 3.9Å; V232-V325 HydrophobicContact CG2-CB 4.49Å; V232-V325 HydrophobicContact CG2-CG1 3.77Å; V232-V325 PolarHBondContact N-O 2.96Å; I239-V325 HydrophobicContact CD1-CG2 3.79Å; I239-V325 HydrophobicContact CG1-CB 4.36Å; I239-V325 HydrophobicContact CG1-CG1 4.43Å; I239-V325 HydrophobicContact CG1-CG2 4.09Å; I239-V325 HydrophobicContact CG2-CG1 4.46Å; I239-V325 HydrophobicContact CG2-CG2 4.47Å; V249-V325 HydrophobicContact CB-CG1 3.75Å; V249-V325 HydrophobicContact CG1-CG1 4.24Å; V249-V325 HydrophobicContact CG2-CG1 3.51Å; E250-V325 CarbonylContact O-C 3.56Å; E250-V325 WeakPolarHBondContact O-CA 3.01Å; I282-V325 HydrophobicContact CD1-CG2 4.23Å
326V98.7Very high94.8Very high9 Ų935.5 Ų35.56%0.05518%0.179CC..EExtended strand (participates in β ladder)trans-124.5151.1177.7-65.70000111.3P68 P155 Y230 E250P68-V326 HydrophobicContact CG-CG1 4.22Å; P155-V326 HydrophobicContact CB-CG2 4.07Å; Y230-V326 WeakPolarHBondContact O-CA 3.32Å; E250-V326 HydrophobicContact CB-CG2 4.07Å; E250-V326 HydrophobicContact CG-CG2 4.32Å; E250-V326 PolarHBondContact N-O 2.64Å; E250-V326 VanDerWaalsContact N-O 3.09Å; E250-V326 PolarHBondContact O-N 2.88Å; E250-V326 VanDerWaalsContact O-O 3.13Å
327A98.7Very high93.3Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-158.1-179.7-176.400000111.2S229 Y230 V249S229-A327 CarbonylContact C-O 3.25Å; S229-A327 WeakPolarHBondContact CA-O 3.02Å; Y230-A327 HydrophobicContact CD2-CB 4.17Å; Y230-A327 HydrophobicContact CE2-CB 3.51Å; Y230-A327 PolarHBondContact N-O 2.75Å; Y230-A327 PolarHBondContact O-N 3.06Å; V249-A327 HydrophobicContact CG1-CB 4.02Å
328G98.1Very high91.5Very high0 Ų042.3 Ų42.30%021%0.207CC..EExtended strand (participates in β ladder)trans-166.6164179.200000111.6R120 W159 N228 Y230R120-G328 WeakPolarHBondContact CD-O 3.44Å; R120-G328 PolarHBondContact NH1-O 3.23Å; W159-G328 VanDerWaalsContact CE3-N 3.29Å; N228-G328 WeakPolarHBondContact O-CA 3.27Å; Y230-G328 VanDerWaalsContact CE1-CA 3.45Å
329I97.9Very high89.5Confident35 Ų3547.6 Ų47.618%0.17923%0.234CC..EExtended strand (participates in β ladder)trans-106.7130.6175.3-61.5-59.1000109.1Y227 N228 Y230 N246Y227-I329 WeakPolarHBondContact CB-O 3.26Å; Y227-I329 PolarHBondContact N-O 3.47Å; N228-I329 PolarHBondContact O-N 2.57Å; N228-I329 PolarHBondContact OD1-N 2.02Å; Y230-I329 HydrophobicContact CE1-CG1 4.11Å; N246-I329 HydrophobicContact CB-CD1 4.31Å
330P97.8Very high89Confident3 Ų348.8 Ų48.82%0.01924%0.238CC..EExtended strand (participates in β ladder)trans-68.7148.3177.928.4-34.9000111.2I121 H124 W162 T332I121-P330 HydrophobicContact CG1-CB 4.03Å; H124-P330 HydrophobicContact CB-CG 3.57Å; W162-P330 VanDerWaalsContact CH2-CA 3.46Å; W162-P330 HydrophobicContact CH2-CB 4.02Å; W162-P330 HydrophobicContact CZ2-CB 3.83Å; P330-T332 HydrophobicContact CG-CG2 4.22Å; P330-T332 PolarHBondContact O-N 3.04Å; P330-T332 VanDerWaalsContact O-N 3.09Å
331R96Very high88.5Confident83 Ų8350.2 Ų50.231%0.31324%0.239SC..  trans-75.794.3172.3-173.1178.470.5-1710.5109.1Y225 D333 Q334Y225-R331 VanDerWaalsContact O-CB 3.32Å; Y225-R331 WeakPolarHBondContact O-CB 3.42Å; Y225-R331 PolarHBondContact O-N 3.37Å; R331-D333 WeakPolarHBondContact CG-OD1 3.17Å; R331-D333 WeakPolarHBondContact CG-OD2 3.35Å; R331-Q334 VanDerWaalsContact NH2-OE1 3.15Å; R331-Q334 VanDerWaalsContact O-CD 3.26Å; R331-Q334 WeakPolarHBondContact O-CG 3.21Å; R331-Q334 PolarHBondContact O-NE2 3.25Å
332T90Very high88Confident40 Ų4053 Ų5325%0.24525%0.252CS..THydrogen-bonded Turntrans-78.7-25.4-169.652.40000114.1H124 T125 P330 Q334 Y335 W336H124-T332 HydrophobicContact CB-CG2 3.91Å; T125-T332 HydrophobicContact CG2-CG2 4.28Å; P330-T332 HydrophobicContact CG-CG2 4.22Å; P330-T332 PolarHBondContact O-N 3.04Å; P330-T332 VanDerWaalsContact O-N 3.09Å; T332-Q334 PolarHBondContact O-N 3.35Å; T332-Y335 WeakPolarHBondContact O-CB 3.32Å; T332-Y335 WeakPolarHBondContact O-CD2 3.48Å; T332-Y335 PolarHBondContact O-N 2.79Å; T332-W336 PolarHBondContact O-N 2.85Å
333D87.7Confident87.3Confident80 Ų8055.6 Ų55.643%0.42827%0.265SS..Hα-helixtrans-52.7-34.5173.648-58.5000112.8R331 Y335 W336 E337R331-D333 WeakPolarHBondContact CG-OD1 3.17Å; R331-D333 WeakPolarHBondContact CG-OD2 3.35Å; D333-Y335 PolarHBondContact O-N 2.99Å; D333-Y335 VanDerWaalsContact O-N 3.08Å; D333-W336 PolarHBondContact O-N 3.35Å; D333-E337 PolarHBondContact O-N 2.94Å
334Q86.1Confident86.7Confident19 Ų1956.3 Ų56.39%0.08926%0.262CS..Hα-helixtrans-63.3-18177.883.6-165.2-36.200114.3Y225 R331 T332Y225-Q334 PolarHBondContact O-NE2 3.35Å; R331-Q334 VanDerWaalsContact NH2-OE1 3.15Å; R331-Q334 VanDerWaalsContact O-CD 3.26Å; R331-Q334 WeakPolarHBondContact O-CG 3.21Å; R331-Q334 PolarHBondContact O-NE2 3.25Å; T332-Q334 PolarHBondContact O-N 3.35Å
335Y81.3Confident86Confident13 Ų1357.3 Ų57.35%0.05127%0.267CS..Hα-helixtrans-96.2-39.3178.5-53.4-63.1000111.3I121 T125 V129 H224 T332 D333 E337 K338 I339I121-Y335 HydrophobicContact CG2-CE2 4.09Å; I121-Y335 WeakPolarHBondContact CG2-OH 3.33Å; T125-Y335 HydrophobicContact CG2-CD2 3.32Å; T125-Y335 HydrophobicContact CG2-CE2 3.76Å; T125-Y335 HydrophobicContact CG2-CG 3.99Å; V129-Y335 HydrophobicContact CB-CD1 4.47Å; V129-Y335 HydrophobicContact CG1-CD1 4.25Å; V129-Y335 HydrophobicContact CG1-CE1 4.18Å; V129-Y335 HydrophobicContact CG2-CD1 3.93Å; V129-Y335 HydrophobicContact CG2-CG 4.04Å; H224-Y335 AromaticContact CE1-CE1 3.74Å; H224-Y335 AromaticContact ND1-CE1 3.29Å; H224-Y335 VanDerWaalsContact ND1-CE1 3.29Å; H224-Y335 WeakPolarHBondContact ND1-CE1 3.46Å; H224-Y335 AromaticContact ND1-CZ 3.49Å; H224-Y335 PolarHBondContact ND1-OH 2.8Å; T332-Y335 WeakPolarHBondContact O-CB 3.32Å; T332-Y335 WeakPolarHBondContact O-CD2 3.48Å; T332-Y335 PolarHBondContact O-N 2.79Å; D333-Y335 PolarHBondContact O-N 2.99Å; D333-Y335 VanDerWaalsContact O-N 3.08Å; Y335-E337 PolarHBondContact O-N 3.42Å; Y335-K338 PolarHBondContact O-N 3.4Å; Y335-I339 WeakPolarHBondContact O-CG1 3.44Å; Y335-I339 PolarHBondContact O-N 2.97Å
336W74.5Confident85.1Confident111 Ų11161.3 Ų61.342%0.4229%0.285SS..Hα-helixtrans-67.1-25.4179.3-60.8121.5000113H128 T332 D333 K338 I339H128-W336 HydrophobicContact CB-CH2 4.41Å; H128-W336 AromaticContact CE1-CH2 3.86Å; H128-W336 AromaticContact CG-CH2 3.86Å; H128-W336 AromaticContact ND1-CH2 3.56Å; T332-W336 PolarHBondContact O-N 2.85Å; D333-W336 PolarHBondContact O-N 3.35Å; W336-K338 PolarHBondContact O-N 3Å; W336-I339 HydrophobicContact CD2-CD1 4.48Å; W336-I339 HydrophobicContact CE3-CB 4.46Å; W336-I339 HydrophobicContact CE3-CD1 3.58Å; W336-I339 HydrophobicContact CZ3-CD1 3.59Å
337E67.3Low84Confident168 Ų16865.3 Ų65.379%0.78530%0.302SS*.THydrogen-bonded Turntrans-68.2-14170.6-70.8-177.4173.600113.8D333 Y335D333-E337 PolarHBondContact O-N 2.94Å; Y335-E337 PolarHBondContact O-N 3.42Å
338K60Low82.8Confident157 Ų15770.8 Ų70.868%0.68333%0.328SS*.THydrogen-bonded Turntrans-110.7-8.5-176.3-63-177.3-178.91780114Y335 W336Y335-K338 PolarHBondContact O-N 3.4Å; W336-K338 PolarHBondContact O-N 3Å
339I57.2Low81.4Confident140 Ų14077.2 Ų77.272%0.71836%0.357SS*.  trans-950177.5-64.9167.3000108.7H128 Y335 W336H128-I339 HydrophobicContact CB-CD1 3.9Å; Y335-I339 WeakPolarHBondContact O-CG1 3.44Å; Y335-I339 PolarHBondContact O-N 2.97Å; W336-I339 HydrophobicContact CD2-CD1 4.48Å; W336-I339 HydrophobicContact CE3-CB 4.46Å; W336-I339 HydrophobicContact CE3-CD1 3.58Å; W336-I339 HydrophobicContact CZ3-CD1 3.59Å

Retrieved 339 of 339 residues in 143.3 ms (Link to these results)

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