A0A087X3R0_POEFO Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit MAGT1

AlphaFold DB , UniProt , Accession A0A087X3R0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M53.6Low60Low229 Ų229125.8 Ų125.8100%1.12864%0.638SS**  0-19.30-140.6170.3178.200113.9
2F53.7Low60Low187 Ų187124.1 Ų124.182%0.8263%0.63SS**Hα-helixtrans-73-30.9-179-89.1-89.3000116.3K4 L5 Y6F2-K4 PolarHBondContact O-N 3.29Å; F2-L5 PolarHBondContact O-N 3.18Å; F2-Y6 PolarHBondContact O-N 3.4Å
3G57.7Low59.8Low60 Ų60123.8 Ų123.862%0.61963%0.63SS**Hα-helixtrans-67.4-30.9-17700000115.1S7G3-S7 PolarHBondContact O-N 3.28Å
4K55.9Low59.6Low181 Ų181126.6 Ų126.679%0.78764%0.636SS**Hα-helixtrans-72.9-28176.7-76.5-175.6175.2-1790112.6F2 T8F2-K4 PolarHBondContact O-N 3.29Å; K4-T8 WeakPolarHBondContact O-CG2 3.38Å; K4-T8 PolarHBondContact O-N 3.4Å; K4-T8 PolarHBondContact O-OG1 2.79Å
5L58.1Low59.2Low111 Ų111128 Ų12858%0.58164%0.637SS**Hα-helixtrans-75.3-37.3176.5-144.389.4000111.5F2 T8 L9F2-L5 PolarHBondContact O-N 3.18Å; L5-T8 WeakPolarHBondContact CA-OG1 3.39Å; L5-T8 PolarHBondContact O-N 3.32Å; L5-T8 PolarHBondContact O-OG1 3Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 PolarHBondContact O-N 3.43Å
6Y64Low58.6Low167 Ų167126.6 Ų126.666%0.65564%0.641SS**Hα-helixtrans-70.5-41.1178.7-151.8-101.1000111.9F2 T8 L9 I10F2-Y6 PolarHBondContact O-N 3.4Å; Y6-T8 VanDerWaalsContact C-N 3.31Å; Y6-T8 PolarHBondContact O-N 3.04Å; Y6-L9 PolarHBondContact O-N 2.94Å; Y6-I10 HydrophobicContact CD1-CD1 3.55Å; Y6-I10 HydrophobicContact CD1-CG1 4.34Å; Y6-I10 HydrophobicContact CE1-CD1 3.62Å; Y6-I10 HydrophobicContact CE1-CG1 4.39Å; Y6-I10 WeakPolarHBondContact O-CG1 3.34Å; Y6-I10 PolarHBondContact O-N 3.49Å
7S63.7Low58.2Low75 Ų75128.6 Ų128.652%0.52465%0.647SS.*Hα-helixtrans-65.4-34176.4-169.90000112.6G3 F11G3-S7 PolarHBondContact O-N 3.28Å; S7-F11 WeakPolarHBondContact O-CB 3.45Å; S7-F11 PolarHBondContact O-N 3.12Å; S7-F11 VanDerWaalsContact O-N 3.12Å
8T65.3Low58Low75 Ų75129.1 Ų129.146%0.4665%0.647SS.*Hα-helixtrans-75.8-37.617742.50000111.9K4 L5 Y6 F11 I12K4-T8 WeakPolarHBondContact O-CG2 3.38Å; K4-T8 PolarHBondContact O-N 3.4Å; K4-T8 PolarHBondContact O-OG1 2.79Å; L5-T8 WeakPolarHBondContact CA-OG1 3.39Å; L5-T8 PolarHBondContact O-N 3.32Å; L5-T8 PolarHBondContact O-OG1 3Å; Y6-T8 VanDerWaalsContact C-N 3.31Å; Y6-T8 PolarHBondContact O-N 3.04Å; T8-F11 PolarHBondContact O-N 2.93Å; T8-I12 WeakPolarHBondContact O-CB 3.49Å; T8-I12 WeakPolarHBondContact O-CD1 3.45Å; T8-I12 VanDerWaalsContact O-CG1 3.23Å; T8-I12 WeakPolarHBondContact O-CG1 3.23Å; T8-I12 PolarHBondContact O-N 2.92Å
9L62.7Low58Low93 Ų93124.7 Ų124.749%0.48763%0.629SS.*Hα-helixtrans-62.2-41.5171.9-92.7153.7000112.8L5 Y6 I12 L13L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 PolarHBondContact O-N 3.43Å; Y6-L9 PolarHBondContact O-N 2.94Å; L9-I12 PolarHBondContact O-N 2.97Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.3Å
10I65.5Low58.5Low73 Ų73122.4 Ų122.437%0.37463%0.625SS.*Hα-helixtrans-65.5-41.5175-69.3168.7000110.8Y6 I12 L13 F14Y6-I10 HydrophobicContact CD1-CD1 3.55Å; Y6-I10 HydrophobicContact CD1-CG1 4.34Å; Y6-I10 HydrophobicContact CE1-CD1 3.62Å; Y6-I10 HydrophobicContact CE1-CG1 4.39Å; Y6-I10 WeakPolarHBondContact O-CG1 3.34Å; Y6-I10 PolarHBondContact O-N 3.49Å; I10-I12 PolarHBondContact O-N 3.38Å; I10-L13 PolarHBondContact O-N 2.92Å; I10-F14 HydrophobicContact CG2-CD2 3.85Å; I10-F14 HydrophobicContact CG2-CE2 4.1Å; I10-F14 WeakPolarHBondContact O-CD2 3.43Å; I10-F14 PolarHBondContact O-N 3.29Å
11F59.9Low59Low133 Ų133122.4 Ų122.458%0.58363%0.626SS**Hα-helixtrans-65.9-38.7178.7-140.2-100.8000112S7 T8 F14 F15S7-F11 WeakPolarHBondContact O-CB 3.45Å; S7-F11 PolarHBondContact O-N 3.12Å; S7-F11 VanDerWaalsContact O-N 3.12Å; T8-F11 PolarHBondContact O-N 2.93Å; F11-F14 PolarHBondContact O-N 3.5Å; F11-F15 AromaticContact CD1-CD2 3.68Å; F11-F15 HydrophobicContact CD1-CD2 3.68Å; F11-F15 AromaticContact CD1-CE2 3.71Å; F11-F15 HydrophobicContact CD1-CE2 3.71Å; F11-F15 AromaticContact CE1-CD2 3.72Å; F11-F15 HydrophobicContact CE1-CD2 3.72Å; F11-F15 AromaticContact CE1-CE2 3.21Å; F11-F15 HydrophobicContact CE1-CE2 3.21Å; F11-F15 HydrophobicContact CE1-CZ 4.16Å; F11-F15 HydrophobicContact CG-CD2 4.49Å; F11-F15 AromaticContact CZ-CE2 3.79Å; F11-F15 HydrophobicContact CZ-CE2 3.79Å; F11-F15 WeakPolarHBondContact O-CD2 3.48Å; F11-F15 PolarHBondContact O-N 3.46Å
12I60.2Low59.8Low105 Ų105114.8 Ų114.854%0.53860%0.599SS.*Hα-helixtrans-68-38.8174.6-66.9165.3000111T8 L9 I10 F14 F15 C16T8-I12 WeakPolarHBondContact O-CB 3.49Å; T8-I12 WeakPolarHBondContact O-CD1 3.45Å; T8-I12 VanDerWaalsContact O-CG1 3.23Å; T8-I12 WeakPolarHBondContact O-CG1 3.23Å; T8-I12 PolarHBondContact O-N 2.92Å; L9-I12 PolarHBondContact O-N 2.97Å; I10-I12 PolarHBondContact O-N 3.38Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 2.89Å; I12-F15 PolarHBondContact O-N 3.43Å; I12-C16 VanDerWaalsContact O-CB 3.29Å; I12-C16 WeakPolarHBondContact O-CB 3.29Å; I12-C16 PolarHBondContact O-N 3.48Å
13L57.9Low60.8Low121 Ų121110.7 Ų110.763%0.63458%0.583SS**Hα-helixtrans-65.2-34.7174.4-80.4161.5000112.8L9 I10L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 3.3Å; I10-L13 PolarHBondContact O-N 2.92Å
14F56.7Low61.6Low162 Ų162113.5 Ų113.571%0.71158%0.575SS**Hα-helixtrans-73.1-39.7174.6-97.5-86.1000112.6I10 F11 I12 H17I10-F14 HydrophobicContact CG2-CD2 3.85Å; I10-F14 HydrophobicContact CG2-CE2 4.1Å; I10-F14 WeakPolarHBondContact O-CD2 3.43Å; I10-F14 PolarHBondContact O-N 3.29Å; F11-F14 PolarHBondContact O-N 3.5Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 2.89Å; F14-H17 PolarHBondContact O-N 3.41Å
15F52.7Low62.7Low148 Ų148112 Ų11265%0.64957%0.569SS**Hα-helixtrans-77.2-23.4178-90.4-90.5000113.9F11 I12 H17F11-F15 AromaticContact CD1-CD2 3.68Å; F11-F15 HydrophobicContact CD1-CD2 3.68Å; F11-F15 AromaticContact CD1-CE2 3.71Å; F11-F15 HydrophobicContact CD1-CE2 3.71Å; F11-F15 AromaticContact CE1-CD2 3.72Å; F11-F15 HydrophobicContact CE1-CD2 3.72Å; F11-F15 AromaticContact CE1-CE2 3.21Å; F11-F15 HydrophobicContact CE1-CE2 3.21Å; F11-F15 HydrophobicContact CE1-CZ 4.16Å; F11-F15 HydrophobicContact CG-CD2 4.49Å; F11-F15 AromaticContact CZ-CE2 3.79Å; F11-F15 HydrophobicContact CZ-CE2 3.79Å; F11-F15 WeakPolarHBondContact O-CD2 3.48Å; F11-F15 PolarHBondContact O-N 3.46Å; I12-F15 PolarHBondContact O-N 3.43Å; F15-H17 PolarHBondContact O-N 3.39Å
16C51Low63.9Low105 Ų105112.7 Ų112.771%0.70957%0.567SS**THydrogen-bonded Turntrans-78.30.8171.6-83.80000114.3I12I12-C16 VanDerWaalsContact O-CB 3.29Å; I12-C16 WeakPolarHBondContact O-CB 3.29Å; I12-C16 PolarHBondContact O-N 3.48Å
17H51.7Low64.9Low161 Ų161109.9 Ų109.975%0.74556%0.559SS**THydrogen-bonded Turntrans-102.718.2178.3-153.774.4000114F14 F15 P19F14-H17 PolarHBondContact O-N 3.41Å; F15-H17 PolarHBondContact O-N 3.39Å; H17-P19 VanDerWaalsContact O-CD 3.28Å; H17-P19 WeakPolarHBondContact O-CD 3.28Å
18E54.1Low66Low138 Ų138110.4 Ų110.465%0.64556%0.559SS**SBendtrans-70.2115.9162.6-91.7-109.3116.300108.8S20 R24E18-S20 PolarHBondContact O-N 3.14Å; E18-S20 VanDerWaalsContact O-N 3.14Å; E18-R24 IonicContact OE1-NH2 3.23Å; E18-R24 PolarHBondContact OE1-NH2 3.14Å
19P57.6Low67.2Low46 Ų46110.4 Ų110.430%0.29956%0.557SS.*  trans-63121.3177.124.4-31000108.8H17 Q23 R24H17-P19 VanDerWaalsContact O-CD 3.28Å; H17-P19 WeakPolarHBondContact O-CD 3.28Å; P19-Q23 HydrophobicContact CB-CB 4.34Å; P19-Q23 HydrophobicContact CB-CG 4.42Å; P19-R24 HydrophobicContact CG-CG 4.25Å
20S67.3Low68.5Low78 Ų78107.6 Ų107.655%0.54554%0.542SS..  trans-43.4141.7174173.10000111.3E18 A22 Q23 R24E18-S20 PolarHBondContact O-N 3.14Å; E18-S20 VanDerWaalsContact O-N 3.14Å; S20-A22 PolarHBondContact O-N 3.16Å; S20-Q23 WeakPolarHBondContact O-CA 3.46Å; S20-Q23 VanDerWaalsContact O-CB 3.32Å; S20-Q23 WeakPolarHBondContact O-CB 3.4Å; S20-Q23 PolarHBondContact O-N 3.05Å; S20-R24 PolarHBondContact O-N 3.23Å
21D70.4Confident69.7Low123 Ų123107.3 Ų107.366%0.65855%0.546SS*.Hα-helixtrans-48-31.5177.6-95.8-28.9000113.7K25D21-K25 WeakPolarHBondContact O-CG 3.32Å; D21-K25 PolarHBondContact O-N 2.75Å
22A70.4Confident71.3Confident68 Ų68105.5 Ų105.556%0.56254%0.54SS*.Hα-helixtrans-66.8-34.5175.400000113.1S20 K26S20-A22 PolarHBondContact O-N 3.16Å; A22-K26 WeakPolarHBondContact O-CB 3.41Å; A22-K26 PolarHBondContact O-N 2.95Å; A22-K26 VanDerWaalsContact O-N 3.16Å
23Q73.2Confident72.9Confident102 Ų102101 Ų10148%0.47752%0.516SS..Hα-helixtrans-73.8-42.3177.3-169.2167.3-26.700111.2P19 S20 K25 K26 E27P19-Q23 HydrophobicContact CB-CB 4.34Å; P19-Q23 HydrophobicContact CB-CG 4.42Å; S20-Q23 WeakPolarHBondContact O-CA 3.46Å; S20-Q23 VanDerWaalsContact O-CB 3.32Å; S20-Q23 WeakPolarHBondContact O-CB 3.4Å; S20-Q23 PolarHBondContact O-N 3.05Å; Q23-K25 PolarHBondContact O-N 3.25Å; Q23-K26 WeakPolarHBondContact O-CB 3.44Å; Q23-K26 PolarHBondContact O-N 2.99Å; Q23-K26 VanDerWaalsContact O-N 3.15Å; Q23-E27 PolarHBondContact O-N 2.84Å
24R74.6Confident74.6Confident118 Ų11895.8 Ų95.845%0.44549%0.489SS..Hα-helixtrans-59-45.5172.2-76.9-174.1177167.18.1111.9E18 P19 S20 K26 E27 T28E18-R24 IonicContact OE1-NH2 3.23Å; E18-R24 PolarHBondContact OE1-NH2 3.14Å; P19-R24 HydrophobicContact CG-CG 4.25Å; S20-R24 PolarHBondContact O-N 3.23Å; R24-K26 VanDerWaalsContact C-N 3.28Å; R24-K26 PolarHBondContact O-N 3.47Å; R24-E27 PolarHBondContact O-N 3.23Å; R24-T28 WeakPolarHBondContact O-CG2 3.23Å; R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 PolarHBondContact O-OG1 3.28Å
25K79.9Confident76.4Confident151 Ų15192.8 Ų92.866%0.65748%0.484SS*.Hα-helixtrans-60.8-33.9175.2-76.6-179.8-178.2178.90113.5D21 Q23 T28 L29D21-K25 WeakPolarHBondContact O-CG 3.32Å; D21-K25 PolarHBondContact O-N 2.75Å; Q23-K25 PolarHBondContact O-N 3.25Å; K25-T28 WeakPolarHBondContact CA-OG1 3.35Å; K25-T28 PolarHBondContact O-OG1 3.14Å; K25-L29 WeakPolarHBondContact O-CB 3.25Å; K25-L29 PolarHBondContact O-N 3.18Å; K25-L29 VanDerWaalsContact O-N 3.12Å
26K82.2Confident78.4Confident125 Ų12588.6 Ų88.654%0.54347%0.467SS..Hα-helixtrans-73.3-39.2178.5-171.8178.5179.3-179.60111.6A22 Q23 R24 L30 P62A22-K26 WeakPolarHBondContact O-CB 3.41Å; A22-K26 PolarHBondContact O-N 2.95Å; A22-K26 VanDerWaalsContact O-N 3.16Å; Q23-K26 WeakPolarHBondContact O-CB 3.44Å; Q23-K26 PolarHBondContact O-N 2.99Å; Q23-K26 VanDerWaalsContact O-N 3.15Å; R24-K26 VanDerWaalsContact C-N 3.28Å; R24-K26 PolarHBondContact O-N 3.47Å; K26-L30 WeakPolarHBondContact O-CB 3.38Å; K26-L30 PolarHBondContact O-N 3.21Å; K26-P62 HydrophobicContact CD-CB 4.42Å; K26-P62 HydrophobicContact CG-CB 3.83Å; K26-P62 HydrophobicContact CG-CG 3.75Å; K26-P62 WeakPolarHBondContact O-CG 3.29Å
27E85.1Confident80.4Confident107 Ų10783.6 Ų83.650%0.543%0.433SS..Hα-helixtrans-68.7-40.7176.8-73.8174.7-17500112Q23 R24 L30 S31Q23-E27 PolarHBondContact O-N 2.84Å; R24-E27 PolarHBondContact O-N 3.23Å; E27-L30 WeakPolarHBondContact O-CB 3.37Å; E27-L30 PolarHBondContact O-N 3.07Å; E27-S31 PolarHBondContact O-N 3.47Å; E27-S31 PolarHBondContact O-OG 2.76Å
28T88Confident82.4Confident86 Ų8678.8 Ų78.853%0.52841%0.411SS..Hα-helixtrans-64.8-42.2174.252.80000112.2R24 K25 L30 S31 E32R24-T28 WeakPolarHBondContact O-CG2 3.23Å; R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 PolarHBondContact O-OG1 3.28Å; K25-T28 WeakPolarHBondContact CA-OG1 3.35Å; K25-T28 PolarHBondContact O-OG1 3.14Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 2.88Å; T28-S31 PolarHBondContact O-N 3.19Å; T28-S31 PolarHBondContact O-OG 3.1Å; T28-E32 WeakPolarHBondContact O-CB 3.31Å; T28-E32 PolarHBondContact O-N 2.8Å
29L90Very high84.3Confident76 Ų7673.7 Ų73.740%0.39840%0.396SS..Hα-helixtrans-67.3-32.6176.4-170.7137.2000112.4K25 K33 P62K25-L29 WeakPolarHBondContact O-CB 3.25Å; K25-L29 PolarHBondContact O-N 3.18Å; K25-L29 VanDerWaalsContact O-N 3.12Å; L29-K33 HydrophobicContact CD2-CD 4Å; L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 WeakPolarHBondContact O-CG 3.48Å; L29-K33 PolarHBondContact O-N 2.91Å; L29-K33 VanDerWaalsContact O-N 3.11Å; L29-P62 VanDerWaalsContact CD2-CD 3.45Å; L29-P62 HydrophobicContact CD2-CG 4.02Å
30L91.1Very high86.1Confident33 Ų3375.1 Ų75.117%0.17340%0.395CS..Hα-helixtrans-66.8-48173.8179.864000111.4K26 E27 T28 E32 K33 V34 P62 N64K26-L30 WeakPolarHBondContact O-CB 3.38Å; K26-L30 PolarHBondContact O-N 3.21Å; E27-L30 WeakPolarHBondContact O-CB 3.37Å; E27-L30 PolarHBondContact O-N 3.07Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 2.88Å; L30-E32 VanDerWaalsContact C-N 3.32Å; L30-E32 PolarHBondContact O-N 3.32Å; L30-K33 PolarHBondContact O-N 3.34Å; L30-V34 HydrophobicContact CD1-CG2 4.45Å; L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 3.4Å; L30-P62 HydrophobicContact CB-CB 4.38Å; L30-P62 HydrophobicContact CB-CG 3.84Å; L30-P62 HydrophobicContact CD1-CB 4.25Å; L30-P62 HydrophobicContact CD1-CG 4.29Å; L30-N64 HydrophobicContact CD1-CB 4.38Å; L30-N64 HydrophobicContact CD2-CB 4.11Å
31S90.7Very high87.3Confident67 Ų6771.7 Ų71.747%0.46937%0.371SS..Hα-helixtrans-64.3-39.1-179.766.20000111.3E27 T28 V34 T35E27-S31 PolarHBondContact O-N 3.47Å; E27-S31 PolarHBondContact O-OG 2.76Å; T28-S31 PolarHBondContact O-N 3.19Å; T28-S31 PolarHBondContact O-OG 3.1Å; S31-V34 PolarHBondContact O-N 2.76Å; S31-T35 WeakPolarHBondContact O-CB 3.41Å; S31-T35 PolarHBondContact O-N 3.43Å; S31-T35 PolarHBondContact O-OG1 2.98Å
32E92.9Very high88.2Confident96 Ų9669.7 Ų69.745%0.44937%0.367SS..Hα-helixtrans-60.6-47.2174.1-164.9-165.9155.800111.5T28 L30 V34 T35 Q36T28-E32 WeakPolarHBondContact O-CB 3.31Å; T28-E32 PolarHBondContact O-N 2.8Å; L30-E32 VanDerWaalsContact C-N 3.32Å; L30-E32 PolarHBondContact O-N 3.32Å; E32-V34 PolarHBondContact O-N 2.94Å; E32-T35 PolarHBondContact O-N 3.39Å; E32-Q36 WeakPolarHBondContact O-CG 3.25Å; E32-Q36 PolarHBondContact O-N 3.17Å; E32-Q36 PolarHBondContact OE1-NE2 2.86Å
33K93.3Very high89.2Confident11 Ų1174.7 Ų74.75%0.04838%0.376CS..Hα-helixtrans-58.1-46.9176-82178.9164.6-174.70112.3L29 L30 T35 Q36 M37 R56 F57 A60 P61L29-K33 HydrophobicContact CD2-CD 4Å; L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 WeakPolarHBondContact O-CG 3.48Å; L29-K33 PolarHBondContact O-N 2.91Å; L29-K33 VanDerWaalsContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 3.34Å; K33-T35 VanDerWaalsContact C-N 3.33Å; K33-Q36 PolarHBondContact O-N 3.15Å; K33-M37 VanDerWaalsContact O-CG 3.29Å; K33-M37 WeakPolarHBondContact O-CG 3.4Å; K33-M37 PolarHBondContact O-N 2.93Å; K33-R56 WeakPolarHBondContact CE-O 3.5Å; K33-R56 PolarHBondContact NZ-O 2.97Å; K33-F57 HydrophobicContact CB-CD1 4.35Å; K33-F57 HydrophobicContact CB-CE1 4.33Å; K33-F57 HydrophobicContact CG-CD1 4.2Å; K33-F57 HydrophobicContact CG-CE1 4.09Å; K33-A60 PolarHBondContact NZ-O 2.87Å; K33-P61 PolarHBondContact NZ-O 3.29Å
34V93.9Very high90.1Very high11 Ų1177.6 Ų77.67%0.06738%0.383CS..Hα-helixtrans-64-42179.4173.50000110.5L30 S31 E32 Q36 M37 M38 N64 Y65 N105L30-V34 HydrophobicContact CD1-CG2 4.45Å; L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 3.4Å; S31-V34 PolarHBondContact O-N 2.76Å; E32-V34 PolarHBondContact O-N 2.94Å; V34-Q36 PolarHBondContact O-N 3.37Å; V34-M37 PolarHBondContact O-N 3.31Å; V34-M38 HydrophobicContact CG1-CG 4.25Å; V34-M38 WeakPolarHBondContact O-CB 3.33Å; V34-M38 VanDerWaalsContact O-CG 3.23Å; V34-M38 WeakPolarHBondContact O-CG 3.5Å; V34-M38 PolarHBondContact O-N 2.98Å; V34-N64 WeakPolarHBondContact CG2-OD1 3.37Å; V34-Y65 HydrophobicContact CG2-CD1 3.7Å; V34-Y65 HydrophobicContact CG2-CE1 3.78Å; V34-N105 HydrophobicContact CG1-CB 4.02Å
35T94.3Very high90.9Very high98 Ų9872.6 Ų72.660%0.60137%0.365SS*.Hα-helixtrans-63.5-41.8179.7-55.80000111.3S31 E32 K33 M38 G39S31-T35 WeakPolarHBondContact O-CB 3.41Å; S31-T35 PolarHBondContact O-N 3.43Å; S31-T35 PolarHBondContact O-OG1 2.98Å; E32-T35 PolarHBondContact O-N 3.39Å; K33-T35 VanDerWaalsContact C-N 3.33Å; T35-M38 PolarHBondContact O-N 3.39Å; T35-G39 PolarHBondContact O-N 3.12Å
36Q94.2Very high91.7Very high61 Ų6165.5 Ų65.529%0.28534%0.335SS..Hα-helixtrans-64.3-44.8175.1-72178.813.500112.2E32 K33 V34 M38 G39 W40 F57E32-Q36 WeakPolarHBondContact O-CG 3.25Å; E32-Q36 PolarHBondContact O-N 3.17Å; E32-Q36 PolarHBondContact OE1-NE2 2.86Å; K33-Q36 PolarHBondContact O-N 3.15Å; V34-Q36 PolarHBondContact O-N 3.37Å; Q36-M38 VanDerWaalsContact C-N 3.33Å; Q36-M38 PolarHBondContact O-N 3.19Å; Q36-G39 PolarHBondContact O-N 2.99Å; Q36-W40 PolarHBondContact O-N 3.28Å; Q36-F57 HydrophobicContact CB-CE1 4.25Å; Q36-F57 VanDerWaalsContact OE1-CZ 3.27Å
37M93.5Very high92.3Very high0 Ų059.9 Ų59.90%031%0.311CS..Hα-helixtrans-61.5-41.9176.4-71.2-72-71.300111.7K33 V34 W40 T41 I47 M49 F57 F108K33-M37 VanDerWaalsContact O-CG 3.29Å; K33-M37 WeakPolarHBondContact O-CG 3.4Å; K33-M37 PolarHBondContact O-N 2.93Å; V34-M37 PolarHBondContact O-N 3.31Å; M37-W40 PolarHBondContact O-N 3.09Å; M37-W40 HydrophobicContact SD-CE3 3.91Å; M37-W40 HydrophobicContact SD-CZ3 3.94Å; M37-T41 WeakPolarHBondContact O-CB 3.39Å; M37-T41 PolarHBondContact O-N 3.14Å; M37-T41 PolarHBondContact O-OG1 3.3Å; M37-I47 HydrophobicContact CE-CD1 3.47Å; M37-I47 VanDerWaalsContact CE-CD1 3.47Å; M37-I47 HydrophobicContact SD-CD1 3.82Å; M37-M49 HydrophobicContact CE-CE 3.92Å; M37-M49 HydrophobicContact SD-CE 4.19Å; M37-F57 HydrophobicContact CG-CD1 3.85Å; M37-F57 HydrophobicContact CG-CE1 4.4Å; M37-F57 HydrophobicContact SD-CB 4.06Å; M37-F57 HydrophobicContact SD-CD1 3.91Å; M37-F57 HydrophobicContact SD-CG 4.03Å; M37-F108 HydrophobicContact CB-CD1 4.1Å; M37-F108 HydrophobicContact CB-CE1 3.78Å; M37-F108 HydrophobicContact CB-CE2 4.22Å; M37-F108 HydrophobicContact CB-CG 4.44Å; M37-F108 HydrophobicContact CB-CZ 3.85Å; M37-F108 HydrophobicContact CE-CB 3.58Å; M37-F108 HydrophobicContact CE-CD1 4.14Å; M37-F108 HydrophobicContact CE-CD2 4Å; M37-F108 HydrophobicContact CE-CG 3.64Å
38M93.7Very high92.8Very high59 Ų5960.5 Ų60.529%0.29131%0.308SS..Hα-helixtrans-63.8-41.4174.7-71.9-63.8-62.800111.9V34 T35 Q36 W40 T41 S42 F103 N105 F108V34-M38 HydrophobicContact CG1-CG 4.25Å; V34-M38 WeakPolarHBondContact O-CB 3.33Å; V34-M38 VanDerWaalsContact O-CG 3.23Å; V34-M38 WeakPolarHBondContact O-CG 3.5Å; V34-M38 PolarHBondContact O-N 2.98Å; T35-M38 PolarHBondContact O-N 3.39Å; Q36-M38 VanDerWaalsContact C-N 3.33Å; Q36-M38 PolarHBondContact O-N 3.19Å; M38-W40 VanDerWaalsContact C-N 3.27Å; M38-W40 PolarHBondContact O-N 3.26Å; M38-T41 PolarHBondContact O-N 2.83Å; M38-S42 PolarHBondContact O-N 3.25Å; M38-S42 PolarHBondContact O-OG 3.04Å; M38-F103 HydrophobicContact CE-CE1 3.59Å; M38-F103 HydrophobicContact CE-CZ 3.93Å; M38-F103 HydrophobicContact SD-CE1 4.36Å; M38-F103 HydrophobicContact SD-CZ 4.18Å; M38-N105 HydrophobicContact CE-CB 4.49Å; M38-N105 HydrophobicContact CG-CB 4.14Å; M38-N105 HydrophobicContact SD-CB 3.62Å; M38-F108 HydrophobicContact CG-CE1 4.2Å; M38-F108 HydrophobicContact CG-CZ 4.16Å; M38-F108 HydrophobicContact SD-CE1 3.65Å; M38-F108 HydrophobicContact SD-CZ 3.88Å
39G94.2Very high93.1Very high31 Ų3156.4 Ų56.432%0.3228%0.283SS..Hα-helixtrans-65.5-26.3176.300000114.1T35 Q36 S42T35-G39 PolarHBondContact O-N 3.12Å; Q36-G39 PolarHBondContact O-N 2.99Å; G39-S42 PolarHBondContact O-OG 2.75Å; G39-S42 VanDerWaalsContact O-OG 3.05Å
40W94.5Very high93.3Very high76 Ų7655.2 Ų55.229%0.28828%0.277SS..Hα-helixtrans-80.6-41.4169.8-64.3-26.6000112.1Q36 M37 M38 S42 K43 R44 I47 K53 F57Q36-W40 PolarHBondContact O-N 3.28Å; M37-W40 PolarHBondContact O-N 3.09Å; M37-W40 HydrophobicContact SD-CE3 3.91Å; M37-W40 HydrophobicContact SD-CZ3 3.94Å; M38-W40 VanDerWaalsContact C-N 3.27Å; M38-W40 PolarHBondContact O-N 3.26Å; W40-S42 VanDerWaalsContact C-N 3.25Å; W40-S42 PolarHBondContact O-N 2.97Å; W40-K43 PolarHBondContact O-N 3.37Å; W40-R44 PolarHBondContact O-N 2.82Å; W40-I47 HydrophobicContact CB-CD1 4.26Å; W40-I47 HydrophobicContact CB-CG1 4.09Å; W40-I47 HydrophobicContact CB-CG2 4.44Å; W40-I47 HydrophobicContact CD2-CG2 4.46Å; W40-I47 HydrophobicContact CE3-CD1 4.49Å; W40-I47 HydrophobicContact CE3-CG2 3.83Å; W40-K53 HydrophobicContact CH2-CD 4.43Å; W40-K53 HydrophobicContact CH2-CG 4.47Å; W40-F57 HydrophobicContact CH2-CD2 4.11Å; W40-F57 HydrophobicContact CH2-CE1 4.25Å; W40-F57 AromaticContact CH2-CE2 3.42Å; W40-F57 HydrophobicContact CH2-CE2 3.42Å; W40-F57 VanDerWaalsContact CH2-CE2 3.42Å; W40-F57 AromaticContact CH2-CZ 3.5Å; W40-F57 HydrophobicContact CH2-CZ 3.5Å; W40-F57 VanDerWaalsContact CH2-CZ 3.5Å; W40-F57 HydrophobicContact CZ3-CD1 4.45Å; W40-F57 AromaticContact CZ3-CD2 3.98Å; W40-F57 HydrophobicContact CZ3-CD2 3.98Å; W40-F57 HydrophobicContact CZ3-CE1 4.19Å; W40-F57 AromaticContact CZ3-CE2 3.73Å; W40-F57 HydrophobicContact CZ3-CE2 3.73Å; W40-F57 HydrophobicContact CZ3-CG 4.36Å; W40-F57 AromaticContact CZ3-CZ 3.84Å; W40-F57 HydrophobicContact CZ3-CZ 3.84Å
41T92.8Very high93.4Very high7 Ų753.9 Ų53.94%0.04327%0.271CS..Hα-helixtrans-62.1-34179.8-52.70000111.7M37 M38 K43 R44 H98 F103 F108M37-T41 WeakPolarHBondContact O-CB 3.39Å; M37-T41 PolarHBondContact O-N 3.14Å; M37-T41 PolarHBondContact O-OG1 3.3Å; M38-T41 PolarHBondContact O-N 2.83Å; T41-K43 VanDerWaalsContact C-N 3.27Å; T41-K43 PolarHBondContact O-N 2.86Å; T41-R44 CarbonylContact C-O 3.52Å; T41-R44 VanDerWaalsContact CA-O 3.26Å; T41-R44 WeakPolarHBondContact CA-O 3.35Å; T41-R44 CarbonylContact O-C 3.54Å; T41-H98 PolarHBondContact O-CE1 3.08Å; T41-F103 HydrophobicContact CG2-CE2 4.23Å; T41-F103 HydrophobicContact CG2-CZ 4.07Å; T41-F108 WeakPolarHBondContact OG1-CD1 3.17Å
42S90Very high93.5Very high80 Ų8057.1 Ų57.156%0.55928%0.279SS*.THydrogen-bonded Turntrans-67.5-25.2175.665.70000113.7M38 G39 W40M38-S42 PolarHBondContact O-N 3.25Å; M38-S42 PolarHBondContact O-OG 3.04Å; G39-S42 PolarHBondContact O-OG 2.75Å; G39-S42 VanDerWaalsContact O-OG 3.05Å; W40-S42 VanDerWaalsContact C-N 3.25Å; W40-S42 PolarHBondContact O-N 2.97Å
43K92Very high93.6Very high173 Ų17356.1 Ų56.175%0.75227%0.273SS*.THydrogen-bonded Turntrans-88.8-37.9176.5-63.9-179.6-177.7-176.90111.9W40 T41W40-K43 PolarHBondContact O-N 3.37Å; T41-K43 VanDerWaalsContact C-N 3.27Å; T41-K43 PolarHBondContact O-N 2.86Å
44R91.8Very high93.6Very high164 Ų16455.6 Ų55.662%0.61927%0.271SS*.  trans-147.7131.7-177.5-61.7-175.5-176.9-178.70.3109.4W40 T41 V46W40-R44 PolarHBondContact O-N 2.82Å; T41-R44 CarbonylContact C-O 3.52Å; T41-R44 VanDerWaalsContact CA-O 3.26Å; T41-R44 WeakPolarHBondContact CA-O 3.35Å; T41-R44 CarbonylContact O-C 3.54Å; R44-V46 VanDerWaalsContact C-N 3.27Å; R44-V46 PolarHBondContact O-N 3.32Å
45S91.7Very high93.6Very high12 Ų1259.6 Ų59.68%0.08429%0.285CS..SBendtrans-62.8-31.1178.454.70000114N95S45-N95 WeakPolarHBondContact CB-OD1 3.33Å; S45-N95 PolarHBondContact OG-OD1 2.82Å
46V95.9Very high93.5Very high3 Ų361.2 Ų61.22%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-110.2122.5173.9-176.80000109.8R44 F90 H91 A94 S111R44-V46 VanDerWaalsContact C-N 3.27Å; R44-V46 PolarHBondContact O-N 3.32Å; V46-F90 HydrophobicContact CG1-CD1 4.18Å; V46-F90 HydrophobicContact CG1-CE1 3.89Å; V46-F90 HydrophobicContact CG2-CD1 4.02Å; V46-F90 HydrophobicContact CG2-CE1 4.15Å; V46-H91 WeakPolarHBondContact CG2-ND1 3.01Å; V46-A94 HydrophobicContact CG2-CB 3.4Å; V46-S111 WeakPolarHBondContact CG1-OG 3.46Å
47I95.9Very high93.5Very high7 Ų758.5 Ų58.54%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-85.3116.7180-57.7168.9000109.5M37 W40 M49 F109 A110 S111M37-I47 HydrophobicContact CE-CD1 3.47Å; M37-I47 VanDerWaalsContact CE-CD1 3.47Å; M37-I47 HydrophobicContact SD-CD1 3.82Å; W40-I47 HydrophobicContact CB-CD1 4.26Å; W40-I47 HydrophobicContact CB-CG1 4.09Å; W40-I47 HydrophobicContact CB-CG2 4.44Å; W40-I47 HydrophobicContact CD2-CG2 4.46Å; W40-I47 HydrophobicContact CE3-CD1 4.49Å; W40-I47 HydrophobicContact CE3-CG2 3.83Å; I47-M49 HydrophobicContact CG2-CE 4.23Å; I47-M49 HydrophobicContact CG2-CG 4.2Å; I47-M49 PolarHBondContact O-N 2.94Å; I47-F109 PolarHBondContact N-O 3.46Å; I47-A110 HydrophobicContact CB-CB 4.22Å; I47-A110 CarbonylContact O-C 3.39Å; I47-A110 WeakPolarHBondContact O-CA 3.41Å; I47-A110 VanDerWaalsContact O-CB 3.29Å; I47-A110 WeakPolarHBondContact O-CB 3.31Å; I47-S111 PolarHBondContact O-N 3.26Å
48R94.9Very high93.5Very high119 Ų11958.5 Ų58.545%0.44927%0.267SS..EExtended strand (participates in β ladder)trans-74.1122.9170.4-74-167.7172.3-177.2-3.3111.2
49M94.5Very high93.4Very high0 Ų059.7 Ų59.70%027%0.271CS..  trans-115.2134.7-177.4-68.7-172.4178.900111M37 I47 K53 V58 V67 A110 S111 V112M37-M49 HydrophobicContact CE-CE 3.92Å; M37-M49 HydrophobicContact SD-CE 4.19Å; I47-M49 HydrophobicContact CG2-CE 4.23Å; I47-M49 HydrophobicContact CG2-CG 4.2Å; I47-M49 PolarHBondContact O-N 2.94Å; M49-K53 HydrophobicContact CB-CB 4.25Å; M49-K53 HydrophobicContact CG-CB 4.27Å; M49-V58 HydrophobicContact CE-CG2 3.96Å; M49-V58 HydrophobicContact SD-CG2 3.57Å; M49-V58 VanDerWaalsContact SD-CG2 3.57Å; M49-V67 HydrophobicContact CE-CG1 4.46Å; M49-A110 HydrophobicContact CE-CB 3.48Å; M49-A110 VanDerWaalsContact CE-CB 3.48Å; M49-A110 HydrophobicContact CG-CB 4.07Å; M49-A110 HydrophobicContact SD-CB 3.72Å; M49-S111 PolarHBondContact N-O 2.93Å; M49-V112 HydrophobicContact CB-CG2 3.84Å
50N93.8Very high93.2Very high52 Ų5259.9 Ų59.928%0.27827%0.269SS..  trans-93.2178.2163.666.7-8.4000109.8E52 K53 F54N50-E52 VanDerWaalsContact C-N 3.27Å; N50-E52 PolarHBondContact O-N 3.31Å; N50-K53 PolarHBondContact O-N 2.88Å; N50-K53 WeakPolarHBondContact OD1-CB 3.27Å; N50-K53 WeakPolarHBondContact OD1-CG 3.42Å; N50-K53 PolarHBondContact OD1-N 3.28Å; N50-F54 WeakPolarHBondContact O-CB 3.3Å; N50-F54 PolarHBondContact O-N 3.05Å
51G92.6Very high92.9Very high4 Ų461 Ų614%0.04129%0.286CS..Hα-helixtrans-55.8-37.9178.800000114.5R55G51-R55 WeakPolarHBondContact O-CG 3.37Å; G51-R55 PolarHBondContact O-N 2.84Å
52E93.2Very high92.9Very high135 Ų13561.5 Ų61.563%0.63129%0.29SS*.Hα-helixtrans-70.4-47.3178.9-64.6-175.4165.400113.2N50 F54 R55 R56N50-E52 VanDerWaalsContact C-N 3.27Å; N50-E52 PolarHBondContact O-N 3.31Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.05Å; E52-R55 PolarHBondContact O-N 3.1Å; E52-R56 WeakPolarHBondContact O-CB 3.25Å; E52-R56 PolarHBondContact O-N 3.29Å
53K94.4Very high92.9Very high76 Ų7659.3 Ų59.333%0.3327%0.269SS..Hα-helixtrans-60.8-42.6175.1-73.8174.7-174.1178.60110.3W40 M49 N50 R55 R56 F57W40-K53 HydrophobicContact CH2-CD 4.43Å; W40-K53 HydrophobicContact CH2-CG 4.47Å; M49-K53 HydrophobicContact CB-CB 4.25Å; M49-K53 HydrophobicContact CG-CB 4.27Å; N50-K53 PolarHBondContact O-N 2.88Å; N50-K53 WeakPolarHBondContact OD1-CB 3.27Å; N50-K53 WeakPolarHBondContact OD1-CG 3.42Å; N50-K53 PolarHBondContact OD1-N 3.28Å; K53-R55 PolarHBondContact O-N 2.83Å; K53-R56 PolarHBondContact O-N 3.11Å; K53-F57 HydrophobicContact CB-CD2 4.27Å; K53-F57 VanDerWaalsContact O-CD2 3.3Å; K53-F57 WeakPolarHBondContact O-CD2 3.45Å; K53-F57 PolarHBondContact O-N 2.99Å
54F94.8Very high92.9Very high0 Ų054.8 Ų54.80%025%0.253CS..Iπ-helixtrans-58.2-49.2175.9-179.9-93.3000111.2N50 E52 R56 V58 K59 I69 F71 V112 V120 L124 F135N50-F54 WeakPolarHBondContact O-CB 3.3Å; N50-F54 PolarHBondContact O-N 3.05Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.05Å; F54-R56 PolarHBondContact O-N 3.47Å; F54-V58 HydrophobicContact CD2-CB 3.92Å; F54-V58 HydrophobicContact CD2-CG1 4.2Å; F54-V58 HydrophobicContact CD2-CG2 3.85Å; F54-V58 HydrophobicContact CE2-CB 3.98Å; F54-V58 HydrophobicContact CE2-CG1 3.75Å; F54-V58 HydrophobicContact CE2-CG2 4.25Å; F54-V58 HydrophobicContact CG-CB 4.36Å; F54-V58 HydrophobicContact CG-CG2 4.45Å; F54-V58 HydrophobicContact CZ-CB 4.45Å; F54-V58 HydrophobicContact CZ-CG1 4.14Å; F54-V58 WeakPolarHBondContact O-CA 3.4Å; F54-V58 WeakPolarHBondContact O-CB 3.42Å; F54-V58 PolarHBondContact O-N 3.25Å; F54-K59 HydrophobicContact CD1-CG 4.1Å; F54-K59 HydrophobicContact CE1-CD 4.21Å; F54-K59 HydrophobicContact CE1-CG 3.56Å; F54-K59 HydrophobicContact CZ-CG 4.22Å; F54-K59 PolarHBondContact O-N 3.25Å; F54-K59 VanDerWaalsContact O-N 3.13Å; F54-I69 HydrophobicContact CD2-CD1 3.9Å; F54-I69 HydrophobicContact CE2-CD1 3.6Å; F54-F71 HydrophobicContact CE2-CE1 4.35Å; F54-F71 AromaticContact CE2-CZ 3.89Å; F54-F71 HydrophobicContact CE2-CZ 3.89Å; F54-F71 HydrophobicContact CZ-CZ 4.37Å; F54-V112 HydrophobicContact CD2-CG2 4.23Å; F54-V120 HydrophobicContact CB-CG2 4.03Å; F54-V120 HydrophobicContact CD1-CB 4.39Å; F54-V120 HydrophobicContact CD1-CG1 3.58Å; F54-V120 HydrophobicContact CD1-CG2 3.84Å; F54-V120 HydrophobicContact CD2-CG1 4.06Å; F54-V120 HydrophobicContact CE1-CG1 3.52Å; F54-V120 HydrophobicContact CE2-CG1 4Å; F54-V120 HydrophobicContact CG-CG1 3.86Å; F54-V120 HydrophobicContact CG-CG2 3.99Å; F54-V120 HydrophobicContact CZ-CG1 3.75Å; F54-L124 HydrophobicContact CZ-CD1 4.09Å; F54-F135 HydrophobicContact CE2-CE2 4.09Å; F54-F135 HydrophobicContact CE2-CZ 4.12Å; F54-F135 HydrophobicContact CZ-CE1 4.3Å; F54-F135 HydrophobicContact CZ-CE2 4.24Å; F54-F135 AromaticContact CZ-CZ 3.8Å; F54-F135 HydrophobicContact CZ-CZ 3.8Å
55R93.1Very high93Very high95 Ų9547 Ų4736%0.35822%0.224SC..Iπ-helixtrans-59.6-44.6176.3-77.1-174.3-73.5-84.72.2112.4G51 E52 K53 K59 A60 D119 M123G51-R55 WeakPolarHBondContact O-CG 3.37Å; G51-R55 PolarHBondContact O-N 2.84Å; E52-R55 PolarHBondContact O-N 3.1Å; K53-R55 PolarHBondContact O-N 2.83Å; R55-K59 PolarHBondContact O-N 3.27Å; R55-A60 VanDerWaalsContact O-CB 3.25Å; R55-A60 WeakPolarHBondContact O-CB 3.39Å; R55-A60 PolarHBondContact O-N 2.89Å; R55-D119 IonicContact CZ-OD2 3.79Å; R55-D119 IonicContact NH1-OD2 2.8Å; R55-D119 PolarHBondContact NH1-OD2 3.02Å; R55-D119 IonicContact NH2-OD2 2.71Å; R55-D119 PolarHBondContact NH2-OD2 2.95Å; R55-M123 HydrophobicContact CG-CE 4.49Å
56R93.2Very high93.2Very high132 Ų13247 Ų4750%0.49822%0.223SC..Iπ-helixtrans-72.8-43.7-174.6-174.9172.5177.5169.4-1.1113.8K33 E52 K53 F54K33-R56 WeakPolarHBondContact CE-O 3.5Å; K33-R56 PolarHBondContact NZ-O 2.97Å; E52-R56 WeakPolarHBondContact O-CB 3.25Å; E52-R56 PolarHBondContact O-N 3.29Å; K53-R56 PolarHBondContact O-N 3.11Å; F54-R56 PolarHBondContact O-N 3.47Å
57F93.8Very high93.2Very high4 Ų446.9 Ų46.92%0.01822%0.223CC..Iπ-helixtrans-100-27.1-172.6-63.5-84000113.2K33 Q36 M37 W40 K53 R63 Y65K33-F57 HydrophobicContact CB-CD1 4.35Å; K33-F57 HydrophobicContact CB-CE1 4.33Å; K33-F57 HydrophobicContact CG-CD1 4.2Å; K33-F57 HydrophobicContact CG-CE1 4.09Å; Q36-F57 HydrophobicContact CB-CE1 4.25Å; Q36-F57 VanDerWaalsContact OE1-CZ 3.27Å; M37-F57 HydrophobicContact CG-CD1 3.85Å; M37-F57 HydrophobicContact CG-CE1 4.4Å; M37-F57 HydrophobicContact SD-CB 4.06Å; M37-F57 HydrophobicContact SD-CD1 3.91Å; M37-F57 HydrophobicContact SD-CG 4.03Å; W40-F57 HydrophobicContact CH2-CD2 4.11Å; W40-F57 HydrophobicContact CH2-CE1 4.25Å; W40-F57 AromaticContact CH2-CE2 3.42Å; W40-F57 HydrophobicContact CH2-CE2 3.42Å; W40-F57 VanDerWaalsContact CH2-CE2 3.42Å; W40-F57 AromaticContact CH2-CZ 3.5Å; W40-F57 HydrophobicContact CH2-CZ 3.5Å; W40-F57 VanDerWaalsContact CH2-CZ 3.5Å; W40-F57 HydrophobicContact CZ3-CD1 4.45Å; W40-F57 AromaticContact CZ3-CD2 3.98Å; W40-F57 HydrophobicContact CZ3-CD2 3.98Å; W40-F57 HydrophobicContact CZ3-CE1 4.19Å; W40-F57 AromaticContact CZ3-CE2 3.73Å; W40-F57 HydrophobicContact CZ3-CE2 3.73Å; W40-F57 HydrophobicContact CZ3-CG 4.36Å; W40-F57 AromaticContact CZ3-CZ 3.84Å; W40-F57 HydrophobicContact CZ3-CZ 3.84Å; K53-F57 HydrophobicContact CB-CD2 4.27Å; K53-F57 VanDerWaalsContact O-CD2 3.3Å; K53-F57 WeakPolarHBondContact O-CD2 3.45Å; K53-F57 PolarHBondContact O-N 2.99Å; F57-R63 VanDerWaalsContact O-CD 3.29Å; F57-R63 WeakPolarHBondContact O-CD 3.11Å; F57-Y65 PolarHBondContact O-OH 2.98Å; F57-Y65 VanDerWaalsContact O-OH 3.11Å
58V93.3Very high93.2Very high0 Ų046.5 Ų46.50%022%0.221CC..Iπ-helixtrans-103.4-42.6-175.5-172.60000112.1M49 F54 R63 V67 I69 F135M49-V58 HydrophobicContact CE-CG2 3.96Å; M49-V58 HydrophobicContact SD-CG2 3.57Å; M49-V58 VanDerWaalsContact SD-CG2 3.57Å; F54-V58 HydrophobicContact CD2-CB 3.92Å; F54-V58 HydrophobicContact CD2-CG1 4.2Å; F54-V58 HydrophobicContact CD2-CG2 3.85Å; F54-V58 HydrophobicContact CE2-CB 3.98Å; F54-V58 HydrophobicContact CE2-CG1 3.75Å; F54-V58 HydrophobicContact CE2-CG2 4.25Å; F54-V58 HydrophobicContact CG-CB 4.36Å; F54-V58 HydrophobicContact CG-CG2 4.45Å; F54-V58 HydrophobicContact CZ-CB 4.45Å; F54-V58 HydrophobicContact CZ-CG1 4.14Å; F54-V58 WeakPolarHBondContact O-CA 3.4Å; F54-V58 WeakPolarHBondContact O-CB 3.42Å; F54-V58 PolarHBondContact O-N 3.25Å; V58-R63 PolarHBondContact O-NE 2.92Å; V58-R63 PolarHBondContact O-NH1 3.43Å; V58-V67 HydrophobicContact CG2-CG1 4.35Å; V58-I69 HydrophobicContact CB-CD1 4.11Å; V58-I69 HydrophobicContact CG1-CD1 3.51Å; V58-I69 HydrophobicContact CG2-CD1 3.53Å; V58-F135 HydrophobicContact CG1-CB 3.81Å; V58-F135 HydrophobicContact CG1-CD1 3.8Å; V58-F135 HydrophobicContact CG1-CD2 3.6Å; V58-F135 HydrophobicContact CG1-CE1 4.29Å; V58-F135 HydrophobicContact CG1-CE2 4.09Å; V58-F135 HydrophobicContact CG1-CG 3.43Å; V58-F135 VanDerWaalsContact CG1-CG 3.43Å; V58-F135 HydrophobicContact CG1-CZ 4.42Å
59K91.1Very high93.3Very high83 Ų8340.9 Ų40.936%0.36120%0.2SC..Iπ-helixtrans-92.3-43.6-177.5-70.9-76.4-171.6170.60113.4F54 R55 R63F54-K59 HydrophobicContact CD1-CG 4.1Å; F54-K59 HydrophobicContact CE1-CD 4.21Å; F54-K59 HydrophobicContact CE1-CG 3.56Å; F54-K59 HydrophobicContact CZ-CG 4.22Å; F54-K59 PolarHBondContact O-N 3.25Å; F54-K59 VanDerWaalsContact O-N 3.13Å; R55-K59 PolarHBondContact O-N 3.27Å; K59-R63 VanDerWaalsContact C-NH1 3.27Å; K59-R63 PolarHBondContact O-NH1 3.46Å
60A91.1Very high93.4Very high35 Ų3540.9 Ų40.929%0.28920%0.2SC..SBendtrans-73.6129.7-173.500000112.2K33 R55K33-A60 PolarHBondContact NZ-O 2.87Å; R55-A60 VanDerWaalsContact O-CB 3.25Å; R55-A60 WeakPolarHBondContact O-CB 3.39Å; R55-A60 PolarHBondContact O-N 2.89Å
61P88.1Confident93.5Very high100 Ų10038.4 Ų38.465%0.64919%0.187SC*.SBendtrans-67.7167.3168.431.2-34.5000110.6K33K33-P61 PolarHBondContact NZ-O 3.29Å
62P91.1Very high93.7Very high17 Ų1738.3 Ų38.311%0.1119%0.185CC..PPolyproline II helixcis-75.4152.5-1333.4-35.1000112.6K26 L29 L30K26-P62 HydrophobicContact CD-CB 4.42Å; K26-P62 HydrophobicContact CG-CB 3.83Å; K26-P62 HydrophobicContact CG-CG 3.75Å; K26-P62 WeakPolarHBondContact O-CG 3.29Å; L29-P62 VanDerWaalsContact CD2-CD 3.45Å; L29-P62 HydrophobicContact CD2-CG 4.02Å; L30-P62 HydrophobicContact CB-CB 4.38Å; L30-P62 HydrophobicContact CB-CG 3.84Å; L30-P62 HydrophobicContact CD1-CB 4.25Å; L30-P62 HydrophobicContact CD1-CG 4.29Å
63R91.4Very high93.7Very high35 Ų3532.4 Ų32.413%0.13216%0.16CC..  trans-140.9139.6172.5-58.9-169.3-55.4-91.15.4110.7F57 V58 K59 Y65 P136F57-R63 VanDerWaalsContact O-CD 3.29Å; F57-R63 WeakPolarHBondContact O-CD 3.11Å; V58-R63 PolarHBondContact O-NE 2.92Å; V58-R63 PolarHBondContact O-NH1 3.43Å; K59-R63 VanDerWaalsContact C-NH1 3.27Å; K59-R63 PolarHBondContact O-NH1 3.46Å; R63-Y65 HydrophobicContact CG-CE2 4.4Å; R63-P136 PolarHBondContact NH2-O 3.34Å; R63-P136 VanDerWaalsContact NH2-O 3.14Å
64N92.3Very high93.6Very high77 Ų7731 Ų3141%0.41216%0.156SC..  trans-124.513171.867.5-20.7000112.1L30 V34L30-N64 HydrophobicContact CD1-CB 4.38Å; L30-N64 HydrophobicContact CD2-CB 4.11Å; V34-N64 WeakPolarHBondContact CG2-OD1 3.37Å
65Y93.8Very high93.4Very high1 Ų135.3 Ų35.30%0.00418%0.176CC..SBendtrans-125.7150.2-179.751-97000111V34 F57 R63 V67 R106 F108 P137V34-Y65 HydrophobicContact CG2-CD1 3.7Å; V34-Y65 HydrophobicContact CG2-CE1 3.78Å; F57-Y65 PolarHBondContact O-OH 2.98Å; F57-Y65 VanDerWaalsContact O-OH 3.11Å; R63-Y65 HydrophobicContact CG-CE2 4.4Å; Y65-V67 HydrophobicContact CD2-CG2 3.54Å; Y65-V67 HydrophobicContact CE2-CG2 3.64Å; Y65-R106 CarbonylContact C-O 3.48Å; Y65-R106 VanDerWaalsContact CA-O 3.25Å; Y65-R106 WeakPolarHBondContact CA-O 3.41Å; Y65-R106 WeakPolarHBondContact CB-O 3.26Å; Y65-F108 HydrophobicContact CD1-CE2 4.03Å; Y65-F108 AromaticContact CD2-CD2 3.71Å; Y65-F108 HydrophobicContact CD2-CD2 3.71Å; Y65-F108 HydrophobicContact CD2-CE2 4.06Å; Y65-F108 HydrophobicContact CE2-CD2 4.45Å; Y65-F108 AromaticContact CG-CD2 3.74Å; Y65-F108 HydrophobicContact CG-CD2 3.74Å; Y65-F108 AromaticContact CG-CE2 3.63Å; Y65-F108 HydrophobicContact CG-CE2 3.63Å; Y65-P137 WeakPolarHBondContact O-CA 3.5Å
66S94.9Very high93Very high11 Ų1135.6 Ų35.68%0.07719%0.19CC..EExtended strand (participates in β ladder)trans-86.7140.5167-80.10000110.2R106 I107 F108 H134 F135 P137S66-R106 PolarHBondContact N-O 2.81Å; S66-I107 WeakPolarHBondContact O-CA 3.39Å; S66-F108 PolarHBondContact O-N 3.01Å; S66-H134 WeakPolarHBondContact CB-NE2 3.29Å; S66-H134 PolarHBondContact OG-NE2 3.23Å; S66-F135 WeakPolarHBondContact CA-O 3.14Å; S66-P137 WeakPolarHBondContact OG-CD 3.32Å
67V95.7Very high92.7Very high1 Ų137 Ų371%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-120.6124.8174.7-167.30000109.2M49 V58 Y65 I69 F108 A110 F135M49-V67 HydrophobicContact CE-CG1 4.46Å; V58-V67 HydrophobicContact CG2-CG1 4.35Å; Y65-V67 HydrophobicContact CD2-CG2 3.54Å; Y65-V67 HydrophobicContact CE2-CG2 3.64Å; V67-I69 HydrophobicContact CB-CD1 4.47Å; V67-I69 HydrophobicContact CB-CG1 4.36Å; V67-I69 HydrophobicContact CG1-CD1 3.87Å; V67-I69 HydrophobicContact CG1-CG1 3.58Å; V67-F108 WeakPolarHBondContact CA-O 3.3Å; V67-A110 HydrophobicContact CG1-CB 4.22Å; V67-F135 PolarHBondContact N-O 3.04Å; V67-F135 PolarHBondContact O-N 2.96Å
68F96.5Very high92.3Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-99.7122.3170.8-68.2-85.8000108.7I107 F108 F109 A110 H134 W162 V163 R166 T167F68-I107 HydrophobicContact CD2-CG2 3.75Å; F68-I107 HydrophobicContact CE2-CG2 3.81Å; F68-F108 PolarHBondContact N-O 3.45Å; F68-F109 HydrophobicContact CB-CD1 3.73Å; F68-F109 HydrophobicContact CB-CE1 3.84Å; F68-F109 HydrophobicContact CD2-CE1 4.11Å; F68-F109 HydrophobicContact CD2-CZ 4.48Å; F68-F109 HydrophobicContact CG-CD1 4.47Å; F68-F109 HydrophobicContact CG-CE1 4.11Å; F68-F109 WeakPolarHBondContact O-CA 3.47Å; F68-A110 PolarHBondContact O-N 3.36Å; F68-H134 HydrophobicContact CD1-CB 3.81Å; F68-H134 HydrophobicContact CE1-CB 3.63Å; F68-H134 AromaticContact CE1-CD2 3.56Å; F68-H134 AromaticContact CE1-CG 3.7Å; F68-H134 AromaticContact CE2-CD2 3.92Å; F68-H134 HydrophobicContact CZ-CB 4.46Å; F68-H134 AromaticContact CZ-CD2 3.51Å; F68-W162 HydrophobicContact CD1-CE3 4.1Å; F68-W162 AromaticContact CD1-CH2 3.59Å; F68-W162 HydrophobicContact CD1-CH2 3.59Å; F68-W162 HydrophobicContact CD1-CZ2 4.41Å; F68-W162 AromaticContact CD1-CZ3 3.4Å; F68-W162 HydrophobicContact CD1-CZ3 3.4Å; F68-W162 VanDerWaalsContact CD1-CZ3 3.4Å; F68-W162 HydrophobicContact CE1-CE3 4.13Å; F68-W162 AromaticContact CE1-CH2 3.95Å; F68-W162 HydrophobicContact CE1-CH2 3.95Å; F68-W162 HydrophobicContact CE1-CZ2 4.35Å; F68-W162 AromaticContact CE1-CZ3 3.83Å; F68-W162 HydrophobicContact CE1-CZ3 3.83Å; F68-V163 HydrophobicContact CD1-CG2 3.9Å; F68-V163 HydrophobicContact CD2-CG1 4.48Å; F68-V163 HydrophobicContact CD2-CG2 4.21Å; F68-V163 HydrophobicContact CE1-CB 4.23Å; F68-V163 HydrophobicContact CE1-CG1 4.45Å; F68-V163 HydrophobicContact CE1-CG2 3.66Å; F68-V163 HydrophobicContact CE2-CB 4.33Å; F68-V163 HydrophobicContact CE2-CG1 3.7Å; F68-V163 HydrophobicContact CE2-CG2 4.01Å; F68-V163 HydrophobicContact CG-CG2 4.15Å; F68-V163 HydrophobicContact CZ-CB 3.92Å; F68-V163 HydrophobicContact CZ-CG1 3.67Å; F68-V163 HydrophobicContact CZ-CG2 3.72Å; F68-R166 HydrophobicContact CE1-CB 4.41Å; F68-R166 HydrophobicContact CZ-CB 4.27Å; F68-T167 HydrophobicContact CE2-CG2 3.82Å; F68-T167 HydrophobicContact CZ-CG2 3.68Å
69I96.2Very high91.8Very high1 Ų150.8 Ų50.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-122.4127.1-171.1-53.1-176.9000109.8F54 V58 V67 F71 A110 V112 F132 L133 F135F54-I69 HydrophobicContact CD2-CD1 3.9Å; F54-I69 HydrophobicContact CE2-CD1 3.6Å; V58-I69 HydrophobicContact CB-CD1 4.11Å; V58-I69 HydrophobicContact CG1-CD1 3.51Å; V58-I69 HydrophobicContact CG2-CD1 3.53Å; V67-I69 HydrophobicContact CB-CD1 4.47Å; V67-I69 HydrophobicContact CB-CG1 4.36Å; V67-I69 HydrophobicContact CG1-CD1 3.87Å; V67-I69 HydrophobicContact CG1-CG1 3.58Å; I69-F71 HydrophobicContact CB-CE2 4.11Å; I69-F71 HydrophobicContact CB-CZ 4.36Å; I69-F71 HydrophobicContact CG2-CD2 4.31Å; I69-F71 HydrophobicContact CG2-CE1 4.18Å; I69-F71 HydrophobicContact CG2-CE2 3.82Å; I69-F71 HydrophobicContact CG2-CZ 3.77Å; I69-A110 CarbonylContact C-O 3.51Å; I69-A110 VanDerWaalsContact CA-O 3.28Å; I69-A110 WeakPolarHBondContact CA-O 3.16Å; I69-A110 HydrophobicContact CG1-CB 4.28Å; I69-V112 HydrophobicContact CG2-CG2 3.92Å; I69-F132 WeakPolarHBondContact O-CA 3.39Å; I69-L133 PolarHBondContact N-O 3.33Å; I69-L133 PolarHBondContact O-N 2.58Å; I69-F135 HydrophobicContact CD1-CD2 3.65Å; I69-F135 HydrophobicContact CD1-CE2 3.8Å; I69-F135 HydrophobicContact CG1-CD2 4.12Å; I69-F135 HydrophobicContact CG1-CE2 4.38Å
70M96.9Very high91.6Very high0 Ų048.6 Ų48.60%026%0.256CS..EExtended strand (participates in β ladder)trans-94.2118.2166.8-175.2-174.766.800109.9T72 D87 F90 A110 S111 V112 F132M70-T72 HydrophobicContact CE-CG2 3.77Å; M70-D87 HydrophobicContact CE-CB 3.83Å; M70-D87 WeakPolarHBondContact CE-OD1 3.35Å; M70-D87 HydrophobicContact SD-CB 4.34Å; M70-F90 HydrophobicContact CB-CD1 3.91Å; M70-F90 HydrophobicContact CB-CD2 4.5Å; M70-F90 HydrophobicContact CB-CE1 3.84Å; M70-F90 HydrophobicContact CB-CE2 4.44Å; M70-F90 HydrophobicContact CB-CG 4.24Å; M70-F90 HydrophobicContact CB-CZ 4.11Å; M70-F90 HydrophobicContact CE-CD1 4.39Å; M70-F90 HydrophobicContact SD-CB 4.03Å; M70-F90 HydrophobicContact SD-CD1 4.29Å; M70-F90 HydrophobicContact SD-CG 4.23Å; M70-A110 PolarHBondContact N-O 2.72Å; M70-S111 CarbonylContact O-C 3.52Å; M70-S111 VanDerWaalsContact O-CA 3.24Å; M70-S111 WeakPolarHBondContact O-CA 3.37Å; M70-V112 PolarHBondContact O-N 3.08Å; M70-F132 HydrophobicContact CB-CD1 3.75Å; M70-F132 HydrophobicContact CB-CE1 3.69Å; M70-F132 HydrophobicContact CG-CD1 3.82Å; M70-F132 HydrophobicContact CG-CE1 3.4Å; M70-F132 VanDerWaalsContact CG-CE1 3.4Å; M70-F132 HydrophobicContact CG-CZ 4.03Å; M70-F132 HydrophobicContact SD-CE1 3.7Å; M70-F132 HydrophobicContact SD-CZ 4.04Å
71F96Very high91.3Very high0 Ų049.2 Ų49.20%027%0.266CS..EExtended strand (participates in β ladder)trans-88120.4167.7-65.5-80.2000108.3F54 I69 V112 V120 F121 L124 M126 P130 T131 L133 F135F54-F71 HydrophobicContact CE2-CE1 4.35Å; F54-F71 AromaticContact CE2-CZ 3.89Å; F54-F71 HydrophobicContact CE2-CZ 3.89Å; F54-F71 HydrophobicContact CZ-CZ 4.37Å; I69-F71 HydrophobicContact CB-CE2 4.11Å; I69-F71 HydrophobicContact CB-CZ 4.36Å; I69-F71 HydrophobicContact CG2-CD2 4.31Å; I69-F71 HydrophobicContact CG2-CE1 4.18Å; I69-F71 HydrophobicContact CG2-CE2 3.82Å; I69-F71 HydrophobicContact CG2-CZ 3.77Å; F71-V112 WeakPolarHBondContact CA-O 3.36Å; F71-V112 HydrophobicContact CD1-CB 3.89Å; F71-V112 HydrophobicContact CD1-CG1 4.32Å; F71-V112 HydrophobicContact CD1-CG2 4.45Å; F71-V112 HydrophobicContact CE1-CB 3.98Å; F71-V112 HydrophobicContact CE1-CG1 4.36Å; F71-V112 HydrophobicContact CE1-CG2 4.08Å; F71-V120 HydrophobicContact CE1-CG1 3.68Å; F71-V120 HydrophobicContact CZ-CG1 4.33Å; F71-F121 HydrophobicContact CB-CE1 3.94Å; F71-F121 HydrophobicContact CB-CE2 4.41Å; F71-F121 HydrophobicContact CB-CZ 3.69Å; F71-F121 HydrophobicContact CD1-CD2 4.45Å; F71-F121 AromaticContact CD1-CE2 3.99Å; F71-F121 HydrophobicContact CD1-CE2 3.99Å; F71-F121 HydrophobicContact CD1-CZ 4.1Å; F71-F121 HydrophobicContact CG-CZ 4.39Å; F71-L124 HydrophobicContact CE1-CD1 3.87Å; F71-L124 HydrophobicContact CE2-CD1 4.07Å; F71-L124 HydrophobicContact CZ-CD1 3.42Å; F71-L124 VanDerWaalsContact CZ-CD1 3.42Å; F71-M126 HydrophobicContact CB-CE 3.97Å; F71-M126 HydrophobicContact CB-SD 4.28Å; F71-M126 HydrophobicContact CD1-CE 3.3Å; F71-M126 HydrophobicContact CD1-SD 4.41Å; F71-M126 HydrophobicContact CD2-CE 3.77Å; F71-M126 HydrophobicContact CD2-SD 3.83Å; F71-M126 HydrophobicContact CE1-CE 3.64Å; F71-M126 HydrophobicContact CE2-CE 4.08Å; F71-M126 HydrophobicContact CE2-SD 4.3Å; F71-M126 HydrophobicContact CG-CE 3.36Å; F71-M126 HydrophobicContact CG-SD 3.89Å; F71-M126 HydrophobicContact CZ-CE 4.01Å; F71-P130 CarbonylContact O-C 3.58Å; F71-P130 WeakPolarHBondContact O-CA 3.44Å; F71-T131 PolarHBondContact N-O 2.86Å; F71-T131 PolarHBondContact O-N 3.04Å; F71-L133 HydrophobicContact CD2-CD1 4.21Å; F71-L133 HydrophobicContact CD2-CG 4.22Å; F71-L133 HydrophobicContact CE2-CB 4.02Å; F71-L133 HydrophobicContact CE2-CD1 3.6Å; F71-L133 HydrophobicContact CE2-CG 3.86Å; F71-L133 HydrophobicContact CZ-CD1 4.38Å; F71-F135 HydrophobicContact CE2-CE2 4.47Å; F71-F135 HydrophobicContact CZ-CE2 4.44Å
72T95.9Very high91.3Very high1 Ų147.8 Ų47.81%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-138.2171.2-170.6-165.50000112M70 L74 C83 V112 D113 F114M70-T72 HydrophobicContact CE-CG2 3.77Å; T72-L74 HydrophobicContact CG2-CD1 3.92Å; T72-L74 HydrophobicContact CG2-CG 3.79Å; T72-C83 WeakPolarHBondContact OG1-CB 3.42Å; T72-V112 PolarHBondContact N-O 3.2Å; T72-D113 CarbonylContact O-C 3.6Å; T72-D113 WeakPolarHBondContact O-CA 3.48Å; T72-F114 PolarHBondContact O-N 3.34Å
73A94.6Very high91.4Very high12 Ų1247 Ų4710%0.09925%0.25CC..  trans-14180.6173.900000108.3R78 C80 F114 A129A73-R78 HydrophobicContact CB-CB 4.37Å; A73-R78 HydrophobicContact CB-CG 4.35Å; A73-C80 WeakPolarHBondContact O-CB 3.42Å; A73-F114 HydrophobicContact CB-CB 4.19Å; A73-A129 HydrophobicContact CB-CB 4.22Å
74L91.8Very high91.4Very high47 Ų4751.5 Ų51.525%0.24627%0.271CS..  trans-87-11.5-173.5-67173.6000113.1T72 C83 D87 D113T72-L74 HydrophobicContact CG2-CD1 3.92Å; T72-L74 HydrophobicContact CG2-CG 3.79Å; L74-C83 HydrophobicContact CD2-CB 4.24Å; L74-D87 HydrophobicContact CD1-CB 4.26Å; L74-D87 HydrophobicContact CD2-CB 3.91Å; L74-D113 WeakPolarHBondContact CB-OD2 3.37Å; L74-D113 PolarHBondContact N-OD2 3.13Å
75Q90.1Very high91.2Very high89 Ų8951.8 Ų51.842%0.41627%0.269SS..  trans-60.9131.8-177.8-163.265.9-9.400110.9Q77 R78 D115Q75-Q77 HydrophobicContact CG-CB 4.46Å; Q75-Q77 HydrophobicContact CG-CG 4.47Å; Q75-Q77 PolarHBondContact O-N 3.37Å; Q75-R78 HydrophobicContact CB-CG 4.39Å; Q75-R78 WeakPolarHBondContact O-CB 3.37Å; Q75-R78 PolarHBondContact O-N 3.29Å; Q75-D115 WeakPolarHBondContact CB-OD2 3.43Å
76P85.5Confident91.2Very high102 Ų10251.7 Ų51.766%0.66227%0.269SS*.G310 helixtrans-57-27.5-175.1-27.834.5000114.3R78 Q79P76-R78 PolarHBondContact O-N 3.04Å; P76-Q79 WeakPolarHBondContact O-CG 3.23Å; P76-Q79 PolarHBondContact O-N 2.99Å
77Q87.1Confident91.2Very high160 Ų16052.2 Ų52.275%0.74827%0.271SS*.G310 helixtrans-61.2-26.5176.4-62.5179.1-1.100112.8Q75Q75-Q77 HydrophobicContact CG-CB 4.46Å; Q75-Q77 HydrophobicContact CG-CG 4.47Å; Q75-Q77 PolarHBondContact O-N 3.37Å
78R84.6Confident91.1Very high127 Ų12757.1 Ų57.148%0.47929%0.294SS..G310 helixtrans-87.5-15.6-178.9-57.9-64.5-178.4-174.7-2.6113.6A73 Q75 P76 C80 D115A73-R78 HydrophobicContact CB-CB 4.37Å; A73-R78 HydrophobicContact CB-CG 4.35Å; Q75-R78 HydrophobicContact CB-CG 4.39Å; Q75-R78 WeakPolarHBondContact O-CB 3.37Å; Q75-R78 PolarHBondContact O-N 3.29Å; P76-R78 PolarHBondContact O-N 3.04Å; R78-C80 PolarHBondContact O-N 2.94Å; R78-C80 VanDerWaalsContact O-N 3.07Å; R78-D115 IonicContact CZ-OD1 3.43Å; R78-D115 IonicContact NE-OD1 2.95Å; R78-D115 PolarHBondContact NE-OD1 3Å; R78-D115 IonicContact NE-OD2 3.53Å; R78-D115 IonicContact NH2-OD1 2.65Å; R78-D115 PolarHBondContact NH2-OD1 3.27Å
79Q83.4Confident90.9Very high167 Ų16759 Ų5978%0.7830%0.302SS*.  trans49.533.3178.4-59.9-175-15.800114.7P76 G81P76-Q79 WeakPolarHBondContact O-CG 3.23Å; P76-Q79 PolarHBondContact O-N 2.99Å; Q79-G81 PolarHBondContact O-N 3.13Å; Q79-G81 VanDerWaalsContact O-N 3.14Å
80C86.4Confident90.9Very high38 Ų3859 Ų5926%0.25730%0.303SS..  trans-81.693.6-178.7-173.30000112A73 R78 C83 K84A73-C80 WeakPolarHBondContact O-CB 3.42Å; R78-C80 PolarHBondContact O-N 2.94Å; R78-C80 VanDerWaalsContact O-N 3.07Å; C80-C83 HydrophobicContact CB-CB 3.6Å; C80-C83 WeakPolarHBondContact CB-SG 3.28Å; C80-C83 PolarHBondContact O-N 2.86Å; C80-C83 WeakPolarHBondContact SG-CB 3.36Å; C80-C83 PolarHBondContact SG-N 3.45Å; C80-C83 CovalentContact SG-SG 2.04Å; C80-C83 PolarHBondContact SG-SG 2.89Å; C80-K84 PolarHBondContact O-N 3.11Å
81G85.7Confident90.8Very high48 Ų4861.7 Ų61.750%0.49532%0.315SS..Hα-helixtrans-62.6-41.2177.800000113.7Q79 C83 K84 Q85Q79-G81 PolarHBondContact O-N 3.13Å; Q79-G81 VanDerWaalsContact O-N 3.14Å; G81-C83 VanDerWaalsContact C-N 3.33Å; G81-C83 PolarHBondContact O-N 3.41Å; G81-K84 PolarHBondContact O-N 3.25Å; G81-Q85 PolarHBondContact O-N 2.91Å
82V88.1Confident90.7Very high70 Ų7062.7 Ų62.742%0.42432%0.321SS..Hα-helixtrans-65.7-37.3179.4-177.30000111.4K84 Q85 A86 P130 F154V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 2.92Å; V82-Q85 PolarHBondContact O-N 2.62Å; V82-A86 VanDerWaalsContact O-CB 3.26Å; V82-A86 WeakPolarHBondContact O-CB 3.41Å; V82-A86 PolarHBondContact O-N 3.01Å; V82-P130 HydrophobicContact CG1-CG 4.07Å; V82-F154 HydrophobicContact CG1-CE1 4.07Å
83C92.1Very high90.7Very high0 Ų062.7 Ų62.70%032%0.321CS..Hα-helixtrans-61-40.4178-59.90000111.7T72 L74 C80 G81 D87T72-C83 WeakPolarHBondContact OG1-CB 3.42Å; L74-C83 HydrophobicContact CD2-CB 4.24Å; C80-C83 HydrophobicContact CB-CB 3.6Å; C80-C83 WeakPolarHBondContact CB-SG 3.28Å; C80-C83 PolarHBondContact O-N 2.86Å; C80-C83 WeakPolarHBondContact SG-CB 3.36Å; C80-C83 PolarHBondContact SG-N 3.45Å; C80-C83 CovalentContact SG-SG 2.04Å; C80-C83 PolarHBondContact SG-SG 2.89Å; G81-C83 VanDerWaalsContact C-N 3.33Å; G81-C83 PolarHBondContact O-N 3.41Å; C83-D87 VanDerWaalsContact O-CB 3.29Å; C83-D87 WeakPolarHBondContact O-CB 3.5Å; C83-D87 PolarHBondContact O-N 2.89Å
84K90.9Very high90.7Very high130 Ų13062.1 Ų62.157%0.56532%0.316SS*.Hα-helixtrans-65.8-46.5178.4-172.2-177.5176-173.40111.9C80 G81 V82 A86 D87 E88C80-K84 PolarHBondContact O-N 3.11Å; G81-K84 PolarHBondContact O-N 3.25Å; V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 2.92Å; K84-A86 VanDerWaalsContact C-N 3.35Å; K84-A86 PolarHBondContact O-N 2.99Å; K84-D87 PolarHBondContact O-N 2.76Å; K84-E88 WeakPolarHBondContact O-CG 3.48Å; K84-E88 PolarHBondContact O-N 3.02Å; K84-E88 VanDerWaalsContact O-N 3.11Å
85Q89.8Confident90.8Very high82 Ų8262.8 Ų62.838%0.38332%0.32SS..Hα-helixtrans-64.9-40.2178.3-66.6177.8-13.200111.9G81 V82 E88 E89 F154G81-Q85 PolarHBondContact O-N 2.91Å; V82-Q85 PolarHBondContact O-N 2.62Å; Q85-E88 PolarHBondContact O-N 2.87Å; Q85-E89 PolarHBondContact O-N 3.44Å; Q85-F154 HydrophobicContact CB-CE2 3.79Å; Q85-F154 HydrophobicContact CB-CZ 4.17Å
86A93.6Very high90.9Very high0 Ų058.8 Ų58.80%030%0.302CS..Hα-helixtrans-66.2-38.3176.500000112.4V82 K84 E89 F90 P130 F132 F154V82-A86 VanDerWaalsContact O-CB 3.26Å; V82-A86 WeakPolarHBondContact O-CB 3.41Å; V82-A86 PolarHBondContact O-N 3.01Å; K84-A86 VanDerWaalsContact C-N 3.35Å; K84-A86 PolarHBondContact O-N 2.99Å; A86-E89 PolarHBondContact O-N 3.16Å; A86-F90 VanDerWaalsContact O-CB 3.26Å; A86-F90 WeakPolarHBondContact O-CB 3.46Å; A86-F90 PolarHBondContact O-N 3.36Å; A86-P130 HydrophobicContact CB-CB 4.17Å; A86-P130 HydrophobicContact CB-CG 3.74Å; A86-F132 HydrophobicContact CB-CZ 4.08Å; A86-F154 HydrophobicContact CB-CB 4.33Å; A86-F154 HydrophobicContact CB-CD2 4.36Å; A86-F154 HydrophobicContact CB-CG 4.27Å
87D94.6Very high91.3Very high22 Ų2254.1 Ų54.112%0.11827%0.271CS..Hα-helixtrans-62.9-43175.3-176.172000111.9M70 L74 C83 K84 F90 H91M70-D87 HydrophobicContact CE-CB 3.83Å; M70-D87 WeakPolarHBondContact CE-OD1 3.35Å; M70-D87 HydrophobicContact SD-CB 4.34Å; L74-D87 HydrophobicContact CD1-CB 4.26Å; L74-D87 HydrophobicContact CD2-CB 3.91Å; C83-D87 VanDerWaalsContact O-CB 3.29Å; C83-D87 WeakPolarHBondContact O-CB 3.5Å; C83-D87 PolarHBondContact O-N 2.89Å; K84-D87 PolarHBondContact O-N 2.76Å; D87-F90 PolarHBondContact O-N 3.46Å; D87-H91 WeakPolarHBondContact O-CB 3.24Å; D87-H91 PolarHBondContact O-CD2 2.94Å; D87-H91 VanDerWaalsContact O-CD2 3.31Å; D87-H91 PolarHBondContact O-N 2.89Å; D87-H91 IonicContact OD1-CD2 3.98Å; D87-H91 IonicContact OD1-NE2 3.95Å; D87-H91 IonicContact OD2-CD2 3.05Å; D87-H91 PolarHBondContact OD2-CD2 3.42Å; D87-H91 IonicContact OD2-NE2 3.72Å
88E92.6Very high91.6Very high104 Ų10449 Ų4949%0.48625%0.247SC..Hα-helixtrans-59.7-49.2175.6-71.6172.1-168.300111.8K84 Q85 F90 H91 V92K84-E88 WeakPolarHBondContact O-CG 3.48Å; K84-E88 PolarHBondContact O-N 3.02Å; K84-E88 VanDerWaalsContact O-N 3.11Å; Q85-E88 PolarHBondContact O-N 2.87Å; E88-F90 PolarHBondContact O-N 2.98Å; E88-H91 PolarHBondContact O-N 3.29Å; E88-V92 WeakPolarHBondContact O-CG2 3.46Å; E88-V92 PolarHBondContact O-N 3.01Å
89E93.8Very high91.8Very high38 Ų3851.6 Ų51.618%0.17826%0.258CS..Hα-helixtrans-66.1-37177.4-70.7-70.1129.200112.3Q85 A86 V92 L93 F154 S155 A156 R175Q85-E89 PolarHBondContact O-N 3.44Å; A86-E89 PolarHBondContact O-N 3.16Å; E89-V92 PolarHBondContact O-N 3.43Å; E89-L93 PolarHBondContact O-N 3.05Å; E89-F154 WeakPolarHBondContact CB-O 3.15Å; E89-F154 HydrophobicContact CG-CD2 4.31Å; E89-S155 WeakPolarHBondContact OE2-CA 3.38Å; E89-A156 HydrophobicContact CB-CB 4.46Å; E89-A156 WeakPolarHBondContact O-CB 3.25Å; E89-A156 WeakPolarHBondContact OE2-CB 3.38Å; E89-A156 PolarHBondContact OE2-N 3.25Å; E89-R175 IonicContact OE1-CZ 2.81Å; E89-R175 IonicContact OE1-NH1 3.38Å; E89-R175 PolarHBondContact OE1-NH1 3.05Å; E89-R175 IonicContact OE1-NH2 3.67Å; E89-R175 IonicContact OE2-CZ 3.48Å; E89-R175 IonicContact OE2-NH1 3.54Å; E89-R175 PolarHBondContact OE2-NH1 2.96Å; E89-R175 IonicContact OE2-NH2 3.67Å; E89-R175 PolarHBondContact OE2-NH2 3.37Å
90F95.8Very high92.1Very high3 Ų345 Ų451%0.01323%0.231CC..Hα-helixtrans-66.3-38.5176.5-169.1-112.4000112V46 M70 A86 D87 E88 L93 A94 F109 A110 F132 L159V46-F90 HydrophobicContact CG1-CD1 4.18Å; V46-F90 HydrophobicContact CG1-CE1 3.89Å; V46-F90 HydrophobicContact CG2-CD1 4.02Å; V46-F90 HydrophobicContact CG2-CE1 4.15Å; M70-F90 HydrophobicContact CB-CD1 3.91Å; M70-F90 HydrophobicContact CB-CD2 4.5Å; M70-F90 HydrophobicContact CB-CE1 3.84Å; M70-F90 HydrophobicContact CB-CE2 4.44Å; M70-F90 HydrophobicContact CB-CG 4.24Å; M70-F90 HydrophobicContact CB-CZ 4.11Å; M70-F90 HydrophobicContact CE-CD1 4.39Å; M70-F90 HydrophobicContact SD-CB 4.03Å; M70-F90 HydrophobicContact SD-CD1 4.29Å; M70-F90 HydrophobicContact SD-CG 4.23Å; A86-F90 VanDerWaalsContact O-CB 3.26Å; A86-F90 WeakPolarHBondContact O-CB 3.46Å; A86-F90 PolarHBondContact O-N 3.36Å; D87-F90 PolarHBondContact O-N 3.46Å; E88-F90 PolarHBondContact O-N 2.98Å; F90-L93 WeakPolarHBondContact O-CB 3.09Å; F90-L93 PolarHBondContact O-N 3.19Å; F90-A94 WeakPolarHBondContact O-CB 3.18Å; F90-A94 PolarHBondContact O-N 2.7Å; F90-F109 HydrophobicContact CE1-CB 4.25Å; F90-F109 AromaticContact CE2-CD1 3.84Å; F90-F109 HydrophobicContact CE2-CD1 3.84Å; F90-F109 HydrophobicContact CE2-CE1 4.47Å; F90-F109 HydrophobicContact CZ-CB 4.08Å; F90-F109 AromaticContact CZ-CD1 3.72Å; F90-F109 HydrophobicContact CZ-CD1 3.72Å; F90-F109 HydrophobicContact CZ-CG 4.39Å; F90-A110 WeakPolarHBondContact CE1-O 3.49Å; F90-F132 HydrophobicContact CB-CE1 4.08Å; F90-F132 AromaticContact CD2-CD1 3.87Å; F90-F132 HydrophobicContact CD2-CD1 3.87Å; F90-F132 AromaticContact CD2-CE1 3.52Å; F90-F132 HydrophobicContact CD2-CE1 3.52Å; F90-F132 AromaticContact CE2-CD1 3.98Å; F90-F132 HydrophobicContact CE2-CD1 3.98Å; F90-F132 HydrophobicContact CE2-CE1 4.11Å; F90-F132 AromaticContact CG-CE1 3.92Å; F90-F132 HydrophobicContact CG-CE1 3.92Å; F90-L159 HydrophobicContact CD2-CD1 4.33Å
91H95.1Very high92.1Very high56 Ų5649.7 Ų49.726%0.25926%0.263SS..Hα-helixtrans-64.4-40.1172.6-91.9-67000112.5V46 D87 E88 L93 A94 N95V46-H91 WeakPolarHBondContact CG2-ND1 3.01Å; D87-H91 WeakPolarHBondContact O-CB 3.24Å; D87-H91 PolarHBondContact O-CD2 2.94Å; D87-H91 VanDerWaalsContact O-CD2 3.31Å; D87-H91 PolarHBondContact O-N 2.89Å; D87-H91 IonicContact OD1-CD2 3.98Å; D87-H91 IonicContact OD1-NE2 3.95Å; D87-H91 IonicContact OD2-CD2 3.05Å; D87-H91 PolarHBondContact OD2-CD2 3.42Å; D87-H91 IonicContact OD2-NE2 3.72Å; E88-H91 PolarHBondContact O-N 3.29Å; H91-L93 VanDerWaalsContact C-N 3.34Å; H91-L93 PolarHBondContact O-N 2.89Å; H91-A94 PolarHBondContact O-N 3.12Å; H91-N95 VanDerWaalsContact O-CB 3.28Å; H91-N95 WeakPolarHBondContact O-CB 3.37Å; H91-N95 PolarHBondContact O-N 3.48Å; H91-N95 PolarHBondContact O-ND2 3.45Å
92V94.2Very high92.1Very high20 Ų2049.9 Ų49.912%0.12126%0.26CS..Hα-helixtrans-60.2-45.2174.6170.50000110.8E88 E89 S96 A156 V173 R175E88-V92 WeakPolarHBondContact O-CG2 3.46Å; E88-V92 PolarHBondContact O-N 3.01Å; E89-V92 PolarHBondContact O-N 3.43Å; V92-S96 WeakPolarHBondContact O-CB 3.19Å; V92-S96 PolarHBondContact O-N 3.21Å; V92-S96 PolarHBondContact O-OG 2.96Å; V92-A156 HydrophobicContact CB-CB 4.32Å; V92-A156 HydrophobicContact CG1-CB 4.08Å; V92-V173 HydrophobicContact CG1-CG1 3.73Å; V92-R175 HydrophobicContact CG1-CG 4.11Å
93L95.1Very high92.2Very high1 Ų149.4 Ų49.41%0.00525%0.253CS..Hα-helixtrans-59.2-51.1174.8173.966.4000111.8E89 F90 H91 N95 S96 W97 F109 A156 L159 A160 V163 I171 V173E89-L93 PolarHBondContact O-N 3.05Å; F90-L93 WeakPolarHBondContact O-CB 3.09Å; F90-L93 PolarHBondContact O-N 3.19Å; H91-L93 VanDerWaalsContact C-N 3.34Å; H91-L93 PolarHBondContact O-N 2.89Å; L93-N95 PolarHBondContact O-N 2.88Å; L93-S96 WeakPolarHBondContact O-CB 3.28Å; L93-S96 PolarHBondContact O-N 3.31Å; L93-W97 PolarHBondContact O-N 3.01Å; L93-F109 HydrophobicContact CD2-CD1 4.47Å; L93-F109 HydrophobicContact CD2-CE1 3.72Å; L93-F109 HydrophobicContact CD2-CZ 4.2Å; L93-F109 HydrophobicContact CG-CE1 4.11Å; L93-F109 HydrophobicContact CG-CZ 4.17Å; L93-A156 HydrophobicContact CB-CB 4.33Å; L93-L159 HydrophobicContact CD2-CB 3.66Å; L93-A160 HydrophobicContact CD1-CB 3.66Å; L93-V163 HydrophobicContact CD2-CG2 4.38Å; L93-I171 HydrophobicContact CD1-CB 4.35Å; L93-I171 HydrophobicContact CD1-CD1 4.25Å; L93-I171 HydrophobicContact CD1-CG2 4.02Å; L93-V173 HydrophobicContact CD1-CG2 4.31Å
94A94.9Very high92Very high1 Ų151.9 Ų51.91%0.00827%0.268CS..Hα-helixtrans-64.6-39.6-176.900000112.2V46 F90 H91 W97 H98 F109V46-A94 HydrophobicContact CG2-CB 3.4Å; F90-A94 WeakPolarHBondContact O-CB 3.18Å; F90-A94 PolarHBondContact O-N 2.7Å; H91-A94 PolarHBondContact O-N 3.12Å; A94-W97 PolarHBondContact O-N 3.34Å; A94-H98 WeakPolarHBondContact O-CB 3.44Å; A94-H98 PolarHBondContact O-N 3.45Å; A94-F109 HydrophobicContact CB-CB 3.85Å; A94-F109 HydrophobicContact CB-CD2 4.02Å; A94-F109 HydrophobicContact CB-CG 3.92Å
95N93.7Very high92Very high60 Ų6049.1 Ų49.132%0.32126%0.26SS..Hα-helixtrans-63.2-43.8173-74.7-25.6000111.1S45 H91 L93 W97 H98 Y99S45-N95 WeakPolarHBondContact CB-OD1 3.33Å; S45-N95 PolarHBondContact OG-OD1 2.82Å; H91-N95 VanDerWaalsContact O-CB 3.28Å; H91-N95 WeakPolarHBondContact O-CB 3.37Å; H91-N95 PolarHBondContact O-N 3.48Å; H91-N95 PolarHBondContact O-ND2 3.45Å; L93-N95 PolarHBondContact O-N 2.88Å; N95-W97 VanDerWaalsContact C-N 3.25Å; N95-W97 PolarHBondContact O-N 3.3Å; N95-H98 PolarHBondContact O-N 2.96Å; N95-H98 VanDerWaalsContact O-N 3.12Å; N95-Y99 WeakPolarHBondContact O-CD2 3.3Å; N95-Y99 PolarHBondContact O-N 3.06Å
96S93.1Very high92Very high5 Ų553.4 Ų53.44%0.03527%0.272CS..Hα-helixtrans-60-38177.8-58.30000111.9V92 L93 S100 R172 I174V92-S96 WeakPolarHBondContact O-CB 3.19Å; V92-S96 PolarHBondContact O-N 3.21Å; V92-S96 PolarHBondContact O-OG 2.96Å; L93-S96 WeakPolarHBondContact O-CB 3.28Å; L93-S96 PolarHBondContact O-N 3.31Å; S96-S100 WeakPolarHBondContact O-CB 3.45Å; S96-S100 PolarHBondContact O-N 3.39Å; S96-R172 WeakPolarHBondContact CB-O 3.33Å; S96-I174 PolarHBondContact OG-N 3.01Å; S96-I174 PolarHBondContact OG-O 2.92Å
97W93.8Very high92Very high4 Ų453.6 Ų53.62%0.01527%0.273CS..Hα-helixtrans-67.2-45.6172.5177.1-122.1000112.6L93 A94 N95 Y99 S100 A102 F103 T104 I107 F109 V169 I171L93-W97 PolarHBondContact O-N 3.01Å; A94-W97 PolarHBondContact O-N 3.34Å; N95-W97 VanDerWaalsContact C-N 3.25Å; N95-W97 PolarHBondContact O-N 3.3Å; W97-Y99 VanDerWaalsContact C-N 3.29Å; W97-Y99 PolarHBondContact O-N 3.36Å; W97-S100 VanDerWaalsContact O-CB 3.28Å; W97-S100 WeakPolarHBondContact O-CB 3.41Å; W97-S100 PolarHBondContact O-N 3.19Å; W97-S100 VanDerWaalsContact O-N 3.08Å; W97-A102 WeakPolarHBondContact CH2-O 3.5Å; W97-A102 HydrophobicContact CZ3-CB 4.31Å; W97-A102 WeakPolarHBondContact CZ3-O 3.29Å; W97-F103 AromaticContact CD1-CD2 3.78Å; W97-F103 AromaticContact CD1-CE2 3.86Å; W97-F103 HydrophobicContact CD2-CD2 4.16Å; W97-F103 AromaticContact CE2-CD2 3.75Å; W97-F103 HydrophobicContact CG-CD2 4.22Å; W97-F103 HydrophobicContact CZ2-CD2 4.29Å; W97-F103 AromaticContact NE1-CD2 3.5Å; W97-F103 AromaticContact NE1-CE2 3.61Å; W97-F103 WeakPolarHBondContact O-CD2 3.42Å; W97-T104 VanDerWaalsContact CZ2-N 3.3Å; W97-I107 HydrophobicContact CZ2-CB 4.06Å; W97-I107 HydrophobicContact CZ2-CD1 4.31Å; W97-I107 HydrophobicContact CZ2-CG1 4.47Å; W97-I107 PolarHBondContact NE1-O 2.95Å; W97-F109 HydrophobicContact CB-CD2 4.41Å; W97-F109 HydrophobicContact CB-CE2 3.71Å; W97-F109 AromaticContact CD1-CD2 3.91Å; W97-F109 AromaticContact CD1-CE2 3.51Å; W97-F109 HydrophobicContact CG-CD2 4.42Å; W97-F109 AromaticContact CG-CE2 3.69Å; W97-F109 HydrophobicContact CG-CE2 3.69Å; W97-V169 HydrophobicContact CE3-CG1 4.39Å; W97-V169 HydrophobicContact CH2-CG1 3.55Å; W97-V169 HydrophobicContact CZ3-CG1 3.46Å; W97-V169 VanDerWaalsContact CZ3-CG1 3.46Å; W97-I171 HydrophobicContact CB-CD1 4.16Å; W97-I171 HydrophobicContact CB-CG2 4.17Å; W97-I171 HydrophobicContact CD2-CD1 4.23Å; W97-I171 HydrophobicContact CD2-CG1 4.39Å; W97-I171 HydrophobicContact CE3-CD1 4.09Å; W97-I171 HydrophobicContact CE3-CG1 3.75Å; W97-I171 HydrophobicContact CG-CD1 4.3Å; W97-I171 HydrophobicContact CZ3-CG1 4.31Å
98H91.7Very high92.1Very high53 Ų5352.6 Ų52.625%0.24527%0.268CS..Hα-helixtrans-59.4-39-178.4-175.564.8000112.8T41 A94 N95T41-H98 PolarHBondContact O-CE1 3.08Å; A94-H98 WeakPolarHBondContact O-CB 3.44Å; A94-H98 PolarHBondContact O-N 3.45Å; N95-H98 PolarHBondContact O-N 2.96Å; N95-H98 VanDerWaalsContact O-N 3.12Å
99Y89.9Confident92.3Very high182 Ų18247.8 Ų47.871%0.71425%0.245SC*.THydrogen-bonded Turntrans-90.62177.7-65.3-67000114.1N95 W97N95-Y99 WeakPolarHBondContact O-CD2 3.3Å; N95-Y99 PolarHBondContact O-N 3.06Å; W97-Y99 VanDerWaalsContact C-N 3.29Å; W97-Y99 PolarHBondContact O-N 3.36Å
100S90Very high92.4Very high29 Ų2946 Ų4620%0.20324%0.237CC..  trans-72.5141.5179-176.50000111.2S96 W97 A102 F103S96-S100 WeakPolarHBondContact O-CB 3.45Å; S96-S100 PolarHBondContact O-N 3.39Å; W97-S100 VanDerWaalsContact O-CB 3.28Å; W97-S100 WeakPolarHBondContact O-CB 3.41Å; W97-S100 PolarHBondContact O-N 3.19Å; W97-S100 VanDerWaalsContact O-N 3.08Å; S100-A102 PolarHBondContact O-N 3.05Å; S100-A102 PolarHBondContact OG-N 3.31Å; S100-F103 VanDerWaalsContact O-CB 3.24Å; S100-F103 WeakPolarHBondContact O-CB 3.43Å; S100-F103 PolarHBondContact O-N 3.31Å; S100-F103 VanDerWaalsContact O-N 3.14Å
101S86.1Confident92.4Very high135 Ų13546.1 Ų46.194%0.94424%0.238SC*.THydrogen-bonded Turntrans-64.1-21.2170.1560000112.9F103S101-F103 VanDerWaalsContact C-N 3.28Å
102A85.9Confident92.5Very high52 Ų5243.5 Ų43.543%0.4323%0.226SC..THydrogen-bonded Turntrans-87.59.417700000113.4W97 S100 T104W97-A102 WeakPolarHBondContact CH2-O 3.5Å; W97-A102 HydrophobicContact CZ3-CB 4.31Å; W97-A102 WeakPolarHBondContact CZ3-O 3.29Å; S100-A102 PolarHBondContact O-N 3.05Å; S100-A102 PolarHBondContact OG-N 3.31Å; A102-T104 PolarHBondContact O-N 2.94Å
103F88.7Confident92.6Very high61 Ų6143.4 Ų43.427%0.26823%0.225SC..  trans-58.6131-176.9178.1-103.7000112M38 T41 W97 S100 S101M38-F103 HydrophobicContact CE-CE1 3.59Å; M38-F103 HydrophobicContact CE-CZ 3.93Å; M38-F103 HydrophobicContact SD-CE1 4.36Å; M38-F103 HydrophobicContact SD-CZ 4.18Å; T41-F103 HydrophobicContact CG2-CE2 4.23Å; T41-F103 HydrophobicContact CG2-CZ 4.07Å; W97-F103 AromaticContact CD1-CD2 3.78Å; W97-F103 AromaticContact CD1-CE2 3.86Å; W97-F103 HydrophobicContact CD2-CD2 4.16Å; W97-F103 AromaticContact CE2-CD2 3.75Å; W97-F103 HydrophobicContact CG-CD2 4.22Å; W97-F103 HydrophobicContact CZ2-CD2 4.29Å; W97-F103 AromaticContact NE1-CD2 3.5Å; W97-F103 AromaticContact NE1-CE2 3.61Å; W97-F103 WeakPolarHBondContact O-CD2 3.42Å; S100-F103 VanDerWaalsContact O-CB 3.24Å; S100-F103 WeakPolarHBondContact O-CB 3.43Å; S100-F103 PolarHBondContact O-N 3.31Å; S100-F103 VanDerWaalsContact O-N 3.14Å; S101-F103 VanDerWaalsContact C-N 3.28Å
104T88.7Confident92.5Very high52 Ų5246.6 Ų46.632%0.31924%0.239SC..  trans-136.7158.917862.40000111.4W97 A102 R106W97-T104 VanDerWaalsContact CZ2-N 3.3Å; A102-T104 PolarHBondContact O-N 2.94Å; T104-R106 PolarHBondContact O-N 2.65Å; T104-R106 VanDerWaalsContact O-N 3.09Å
105N90.2Very high92.3Very high72 Ų7249.7 Ų49.739%0.38526%0.255SS..THydrogen-bonded Turntrans-7717.8174.366.2-7.5000114.1V34 M38 F108V34-N105 HydrophobicContact CG1-CB 4.02Å; M38-N105 HydrophobicContact CE-CB 4.49Å; M38-N105 HydrophobicContact CG-CB 4.14Å; M38-N105 HydrophobicContact SD-CB 3.62Å; N105-F108 HydrophobicContact CB-CZ 4.32Å; N105-F108 WeakPolarHBondContact O-CE2 3.3Å; N105-F108 WeakPolarHBondContact O-CZ 3.5Å
106R90.6Very high92.3Very high171 Ų17151.6 Ų51.665%0.64526%0.262SS*.THydrogen-bonded Turntrans-99.3-16.3-178.3-63.5-174-179.1-174.71.6113.2Y65 S66 T104Y65-R106 CarbonylContact C-O 3.48Å; Y65-R106 VanDerWaalsContact CA-O 3.25Å; Y65-R106 WeakPolarHBondContact CA-O 3.41Å; Y65-R106 WeakPolarHBondContact CB-O 3.26Å; S66-R106 PolarHBondContact N-O 2.81Å; T104-R106 PolarHBondContact O-N 2.65Å; T104-R106 VanDerWaalsContact O-N 3.09Å
107I93.8Very high92.1Very high4 Ų451.3 Ų51.32%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-129124.4-177.3-60.1178.7000108.8S66 F68 W97 F109 V163 T167 V169S66-I107 WeakPolarHBondContact O-CA 3.39Å; F68-I107 HydrophobicContact CD2-CG2 3.75Å; F68-I107 HydrophobicContact CE2-CG2 3.81Å; W97-I107 HydrophobicContact CZ2-CB 4.06Å; W97-I107 HydrophobicContact CZ2-CD1 4.31Å; W97-I107 HydrophobicContact CZ2-CG1 4.47Å; W97-I107 PolarHBondContact NE1-O 2.95Å; I107-F109 HydrophobicContact CG2-CE2 3.94Å; I107-F109 HydrophobicContact CG2-CZ 4.05Å; I107-V163 HydrophobicContact CD1-CG1 4.47Å; I107-T167 HydrophobicContact CD1-CG2 4.4Å; I107-T167 WeakPolarHBondContact CD1-OG1 3.06Å; I107-V169 HydrophobicContact CD1-CB 3.59Å; I107-V169 HydrophobicContact CD1-CG1 3.88Å; I107-V169 HydrophobicContact CD1-CG2 3.63Å
108F95.7Very high92Very high1 Ų153.7 Ų53.70%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-125.2140.3176.3-61.9-75.8000110.9M37 M38 T41 Y65 S66 V67 F68 N105M37-F108 HydrophobicContact CB-CD1 4.1Å; M37-F108 HydrophobicContact CB-CE1 3.78Å; M37-F108 HydrophobicContact CB-CE2 4.22Å; M37-F108 HydrophobicContact CB-CG 4.44Å; M37-F108 HydrophobicContact CB-CZ 3.85Å; M37-F108 HydrophobicContact CE-CB 3.58Å; M37-F108 HydrophobicContact CE-CD1 4.14Å; M37-F108 HydrophobicContact CE-CD2 4Å; M37-F108 HydrophobicContact CE-CG 3.64Å; M38-F108 HydrophobicContact CG-CE1 4.2Å; M38-F108 HydrophobicContact CG-CZ 4.16Å; M38-F108 HydrophobicContact SD-CE1 3.65Å; M38-F108 HydrophobicContact SD-CZ 3.88Å; T41-F108 WeakPolarHBondContact OG1-CD1 3.17Å; Y65-F108 HydrophobicContact CD1-CE2 4.03Å; Y65-F108 AromaticContact CD2-CD2 3.71Å; Y65-F108 HydrophobicContact CD2-CD2 3.71Å; Y65-F108 HydrophobicContact CD2-CE2 4.06Å; Y65-F108 HydrophobicContact CE2-CD2 4.45Å; Y65-F108 AromaticContact CG-CD2 3.74Å; Y65-F108 HydrophobicContact CG-CD2 3.74Å; Y65-F108 AromaticContact CG-CE2 3.63Å; Y65-F108 HydrophobicContact CG-CE2 3.63Å; S66-F108 PolarHBondContact O-N 3.01Å; V67-F108 WeakPolarHBondContact CA-O 3.3Å; F68-F108 PolarHBondContact N-O 3.45Å; N105-F108 HydrophobicContact CB-CZ 4.32Å; N105-F108 WeakPolarHBondContact O-CE2 3.3Å; N105-F108 WeakPolarHBondContact O-CZ 3.5Å
109F96.9Very high92.1Very high4 Ų453.7 Ų53.72%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-104.8133.3174.5-65.3-81.7000109.7I47 F68 F90 L93 A94 W97 I107 V163 I171I47-F109 PolarHBondContact N-O 3.46Å; F68-F109 HydrophobicContact CB-CD1 3.73Å; F68-F109 HydrophobicContact CB-CE1 3.84Å; F68-F109 HydrophobicContact CD2-CE1 4.11Å; F68-F109 HydrophobicContact CD2-CZ 4.48Å; F68-F109 HydrophobicContact CG-CD1 4.47Å; F68-F109 HydrophobicContact CG-CE1 4.11Å; F68-F109 WeakPolarHBondContact O-CA 3.47Å; F90-F109 HydrophobicContact CE1-CB 4.25Å; F90-F109 AromaticContact CE2-CD1 3.84Å; F90-F109 HydrophobicContact CE2-CD1 3.84Å; F90-F109 HydrophobicContact CE2-CE1 4.47Å; F90-F109 HydrophobicContact CZ-CB 4.08Å; F90-F109 AromaticContact CZ-CD1 3.72Å; F90-F109 HydrophobicContact CZ-CD1 3.72Å; F90-F109 HydrophobicContact CZ-CG 4.39Å; L93-F109 HydrophobicContact CD2-CD1 4.47Å; L93-F109 HydrophobicContact CD2-CE1 3.72Å; L93-F109 HydrophobicContact CD2-CZ 4.2Å; L93-F109 HydrophobicContact CG-CE1 4.11Å; L93-F109 HydrophobicContact CG-CZ 4.17Å; A94-F109 HydrophobicContact CB-CB 3.85Å; A94-F109 HydrophobicContact CB-CD2 4.02Å; A94-F109 HydrophobicContact CB-CG 3.92Å; W97-F109 HydrophobicContact CB-CD2 4.41Å; W97-F109 HydrophobicContact CB-CE2 3.71Å; W97-F109 AromaticContact CD1-CD2 3.91Å; W97-F109 AromaticContact CD1-CE2 3.51Å; W97-F109 HydrophobicContact CG-CD2 4.42Å; W97-F109 AromaticContact CG-CE2 3.69Å; W97-F109 HydrophobicContact CG-CE2 3.69Å; I107-F109 HydrophobicContact CG2-CE2 3.94Å; I107-F109 HydrophobicContact CG2-CZ 4.05Å; F109-V163 HydrophobicContact CE1-CG2 4.11Å; F109-V163 HydrophobicContact CZ-CG2 4.3Å; F109-I171 HydrophobicContact CE2-CD1 4.2Å; F109-I171 HydrophobicContact CZ-CD1 3.73Å
110A96.9Very high92.3Very high0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-140.9159.2-17900000111.7I47 M49 V67 F68 I69 M70 F90I47-A110 HydrophobicContact CB-CB 4.22Å; I47-A110 CarbonylContact O-C 3.39Å; I47-A110 WeakPolarHBondContact O-CA 3.41Å; I47-A110 VanDerWaalsContact O-CB 3.29Å; I47-A110 WeakPolarHBondContact O-CB 3.31Å; M49-A110 HydrophobicContact CE-CB 3.48Å; M49-A110 VanDerWaalsContact CE-CB 3.48Å; M49-A110 HydrophobicContact CG-CB 4.07Å; M49-A110 HydrophobicContact SD-CB 3.72Å; V67-A110 HydrophobicContact CG1-CB 4.22Å; F68-A110 PolarHBondContact O-N 3.36Å; I69-A110 CarbonylContact C-O 3.51Å; I69-A110 VanDerWaalsContact CA-O 3.28Å; I69-A110 WeakPolarHBondContact CA-O 3.16Å; I69-A110 HydrophobicContact CG1-CB 4.28Å; M70-A110 PolarHBondContact N-O 2.72Å; F90-A110 WeakPolarHBondContact CE1-O 3.49Å
111S96.6Very high92.5Very high6 Ų643.9 Ų43.94%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-131.9143.7173.1570000111V46 I47 M49 M70V46-S111 WeakPolarHBondContact CG1-OG 3.46Å; I47-S111 PolarHBondContact O-N 3.26Å; M49-S111 PolarHBondContact N-O 2.93Å; M70-S111 CarbonylContact O-C 3.52Å; M70-S111 VanDerWaalsContact O-CA 3.24Å; M70-S111 WeakPolarHBondContact O-CA 3.37Å
112V96.5Very high92.8Very high0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans-124.1117.5175.2-179.30000107.2M49 F54 I69 M70 F71 T72 V120 F121M49-V112 HydrophobicContact CB-CG2 3.84Å; F54-V112 HydrophobicContact CD2-CG2 4.23Å; I69-V112 HydrophobicContact CG2-CG2 3.92Å; M70-V112 PolarHBondContact O-N 3.08Å; F71-V112 WeakPolarHBondContact CA-O 3.36Å; F71-V112 HydrophobicContact CD1-CB 3.89Å; F71-V112 HydrophobicContact CD1-CG1 4.32Å; F71-V112 HydrophobicContact CD1-CG2 4.45Å; F71-V112 HydrophobicContact CE1-CB 3.98Å; F71-V112 HydrophobicContact CE1-CG1 4.36Å; F71-V112 HydrophobicContact CE1-CG2 4.08Å; T72-V112 PolarHBondContact N-O 3.2Å; V112-V120 HydrophobicContact CG1-CB 4.47Å; V112-F121 HydrophobicContact CG1-CE2 4.18Å
113D95.4Very high93Very high19 Ų1946.3 Ų46.310%0.10223%0.225CC..EExtended strand (participates in β ladder)trans-83.7142.8173.5-163.4-76000110.3T72 L74 D115 E116 G117T72-D113 CarbonylContact O-C 3.6Å; T72-D113 WeakPolarHBondContact O-CA 3.48Å; L74-D113 WeakPolarHBondContact CB-OD2 3.37Å; L74-D113 PolarHBondContact N-OD2 3.13Å; D113-D115 VanDerWaalsContact C-N 3.27Å; D113-D115 PolarHBondContact O-N 2.91Å; D113-D115 PolarHBondContact OD1-N 2.92Å; D113-E116 HydrophobicContact CB-CB 4.34Å; D113-E116 HydrophobicContact CB-CG 4.33Å; D113-E116 PolarHBondContact O-N 2.92Å; D113-G117 PolarHBondContact O-N 3.45Å
114F93.7Very high93.1Very high67 Ų6745.4 Ų45.429%0.29422%0.223SC..THydrogen-bonded Turntrans-56.2-40.5177.8-179.7-99.2000112.8T72 A73 E116 S118 F121T72-F114 PolarHBondContact O-N 3.34Å; A73-F114 HydrophobicContact CB-CB 4.19Å; F114-E116 VanDerWaalsContact C-N 3.33Å; F114-S118 VanDerWaalsContact O-CA 3.32Å; F114-S118 WeakPolarHBondContact O-CA 3.38Å; F114-S118 WeakPolarHBondContact O-CB 3.16Å; F114-S118 PolarHBondContact O-N 3.33Å; F114-F121 VanDerWaalsContact CA-CE2 3.46Å; F114-F121 HydrophobicContact CB-CD2 4.44Å; F114-F121 HydrophobicContact CB-CE1 4.44Å; F114-F121 HydrophobicContact CB-CE2 4.02Å; F114-F121 HydrophobicContact CB-CZ 4Å; F114-F121 HydrophobicContact CD2-CB 4.05Å; F114-F121 AromaticContact CD2-CD1 3.83Å; F114-F121 HydrophobicContact CD2-CD1 3.83Å; F114-F121 AromaticContact CD2-CD2 3.93Å; F114-F121 HydrophobicContact CD2-CD2 3.93Å; F114-F121 HydrophobicContact CD2-CE1 4.2Å; F114-F121 HydrophobicContact CD2-CE2 4.3Å; F114-F121 AromaticContact CD2-CG 3.68Å; F114-F121 HydrophobicContact CD2-CG 3.68Å; F114-F121 HydrophobicContact CD2-CZ 4.4Å; F114-F121 HydrophobicContact CE2-CB 4.17Å; F114-F121 HydrophobicContact CE2-CG 4.29Å
115D91.6Very high93.2Very high67 Ų6749.7 Ų49.736%0.35824%0.244SC..THydrogen-bonded Turntrans-76.8-22.2-177.2-65.5-48.4000111.9Q75 R78 D113Q75-D115 WeakPolarHBondContact CB-OD2 3.43Å; R78-D115 IonicContact CZ-OD1 3.43Å; R78-D115 IonicContact NE-OD1 2.95Å; R78-D115 PolarHBondContact NE-OD1 3Å; R78-D115 IonicContact NE-OD2 3.53Å; R78-D115 IonicContact NH2-OD1 2.65Å; R78-D115 PolarHBondContact NH2-OD1 3.27Å; D113-D115 VanDerWaalsContact C-N 3.27Å; D113-D115 PolarHBondContact O-N 2.91Å; D113-D115 PolarHBondContact OD1-N 2.92Å
116E91.9Very high93.2Very high99 Ų9947.5 Ų47.546%0.46323%0.232SC..THydrogen-bonded Turntrans-91.3-18.1175.7-66.2-175.4-167.300113.9D113 F114D113-E116 HydrophobicContact CB-CB 4.34Å; D113-E116 HydrophobicContact CB-CG 4.33Å; D113-E116 PolarHBondContact O-N 2.92Å; F114-E116 VanDerWaalsContact C-N 3.33Å
117G90.5Very high93Very high0 Ų047.3 Ų47.30%024%0.243CC..  trans-148.938.2-168.900000114.1D113 D119 V120 F121D113-G117 PolarHBondContact O-N 3.45Å; G117-D119 VanDerWaalsContact C-OD1 3.26Å; G117-D119 WeakPolarHBondContact CA-OD1 3.2Å; G117-D119 PolarHBondContact O-N 2.83Å; G117-D119 VanDerWaalsContact O-N 3.16Å; G117-V120 WeakPolarHBondContact O-CA 3.39Å; G117-V120 WeakPolarHBondContact O-CB 3.24Å; G117-V120 PolarHBondContact O-N 3.24Å; G117-F121 WeakPolarHBondContact O-CD2 3.18Å; G117-F121 PolarHBondContact O-N 2.91Å
118S91.7Very high92.6Very high53 Ų5351 Ų5137%0.37127%0.27SS..Hα-helixtrans-55.3-31.4-179.458.30000113.3F114 V120 F121 Q122F114-S118 VanDerWaalsContact O-CA 3.32Å; F114-S118 WeakPolarHBondContact O-CA 3.38Å; F114-S118 WeakPolarHBondContact O-CB 3.16Å; F114-S118 PolarHBondContact O-N 3.33Å; S118-V120 VanDerWaalsContact C-N 3.31Å; S118-V120 PolarHBondContact O-N 2.77Å; S118-F121 PolarHBondContact O-N 3.33Å; S118-Q122 WeakPolarHBondContact O-CG 3.43Å; S118-Q122 PolarHBondContact O-N 3.04Å; S118-Q122 VanDerWaalsContact O-N 3.08Å
119D93.6Very high92.4Very high54 Ų5452.5 Ų52.529%0.28928%0.283SS..Hα-helixtrans-61.4-34.9172.864.1-28.9000113R55 G117 M123R55-D119 IonicContact CZ-OD2 3.79Å; R55-D119 IonicContact NH1-OD2 2.8Å; R55-D119 PolarHBondContact NH1-OD2 3.02Å; R55-D119 IonicContact NH2-OD2 2.71Å; R55-D119 PolarHBondContact NH2-OD2 2.95Å; G117-D119 VanDerWaalsContact C-OD1 3.26Å; G117-D119 WeakPolarHBondContact CA-OD1 3.2Å; G117-D119 PolarHBondContact O-N 2.83Å; G117-D119 VanDerWaalsContact O-N 3.16Å; D119-M123 VanDerWaalsContact O-CB 3.3Å; D119-M123 WeakPolarHBondContact O-CB 3.46Å; D119-M123 PolarHBondContact O-N 3.29Å
120V93.9Very high92.3Very high0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-71.9-38.6176-1740000111.3F54 F71 V112 G117 S118 Q122 M123 L124F54-V120 HydrophobicContact CB-CG2 4.03Å; F54-V120 HydrophobicContact CD1-CB 4.39Å; F54-V120 HydrophobicContact CD1-CG1 3.58Å; F54-V120 HydrophobicContact CD1-CG2 3.84Å; F54-V120 HydrophobicContact CD2-CG1 4.06Å; F54-V120 HydrophobicContact CE1-CG1 3.52Å; F54-V120 HydrophobicContact CE2-CG1 4Å; F54-V120 HydrophobicContact CG-CG1 3.86Å; F54-V120 HydrophobicContact CG-CG2 3.99Å; F54-V120 HydrophobicContact CZ-CG1 3.75Å; F71-V120 HydrophobicContact CE1-CG1 3.68Å; F71-V120 HydrophobicContact CZ-CG1 4.33Å; V112-V120 HydrophobicContact CG1-CB 4.47Å; G117-V120 WeakPolarHBondContact O-CA 3.39Å; G117-V120 WeakPolarHBondContact O-CB 3.24Å; G117-V120 PolarHBondContact O-N 3.24Å; S118-V120 VanDerWaalsContact C-N 3.31Å; S118-V120 PolarHBondContact O-N 2.77Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; V120-M123 PolarHBondContact O-N 3.48Å; V120-L124 HydrophobicContact CG1-CD1 3.94Å; V120-L124 WeakPolarHBondContact O-CG 3.26Å; V120-L124 PolarHBondContact O-N 2.87Å
121F93.4Very high92.1Very high5 Ų554 Ų542%0.02229%0.292CS..Hα-helixtrans-62.9-43.6176.2-80.8-105.1000111.3F71 V112 F114 G117 S118 L124 N125 M126F71-F121 HydrophobicContact CB-CE1 3.94Å; F71-F121 HydrophobicContact CB-CE2 4.41Å; F71-F121 HydrophobicContact CB-CZ 3.69Å; F71-F121 HydrophobicContact CD1-CD2 4.45Å; F71-F121 AromaticContact CD1-CE2 3.99Å; F71-F121 HydrophobicContact CD1-CE2 3.99Å; F71-F121 HydrophobicContact CD1-CZ 4.1Å; F71-F121 HydrophobicContact CG-CZ 4.39Å; V112-F121 HydrophobicContact CG1-CE2 4.18Å; F114-F121 VanDerWaalsContact CA-CE2 3.46Å; F114-F121 HydrophobicContact CB-CD2 4.44Å; F114-F121 HydrophobicContact CB-CE1 4.44Å; F114-F121 HydrophobicContact CB-CE2 4.02Å; F114-F121 HydrophobicContact CB-CZ 4Å; F114-F121 HydrophobicContact CD2-CB 4.05Å; F114-F121 AromaticContact CD2-CD1 3.83Å; F114-F121 HydrophobicContact CD2-CD1 3.83Å; F114-F121 AromaticContact CD2-CD2 3.93Å; F114-F121 HydrophobicContact CD2-CD2 3.93Å; F114-F121 HydrophobicContact CD2-CE1 4.2Å; F114-F121 HydrophobicContact CD2-CE2 4.3Å; F114-F121 AromaticContact CD2-CG 3.68Å; F114-F121 HydrophobicContact CD2-CG 3.68Å; F114-F121 HydrophobicContact CD2-CZ 4.4Å; F114-F121 HydrophobicContact CE2-CB 4.17Å; F114-F121 HydrophobicContact CE2-CG 4.29Å; G117-F121 WeakPolarHBondContact O-CD2 3.18Å; G117-F121 PolarHBondContact O-N 2.91Å; S118-F121 PolarHBondContact O-N 3.33Å; F121-L124 PolarHBondContact O-N 3.49Å; F121-N125 PolarHBondContact O-N 2.95Å; F121-N125 VanDerWaalsContact O-N 3.08Å; F121-M126 HydrophobicContact CD1-CB 4.02Å; F121-M126 HydrophobicContact CD1-CE 3.97Å; F121-M126 HydrophobicContact CE1-CE 4.33Å; F121-M126 HydrophobicContact CG-CE 4.14Å; F121-M126 PolarHBondContact O-N 2.69Å
122Q92.6Very high92.1Very high143 Ų14353.8 Ų53.867%0.66829%0.29SS*.Hα-helixtrans-63.8-45.1173.4-68.4177.26.900111.7S118 V120 L124 N125S118-Q122 WeakPolarHBondContact O-CG 3.43Å; S118-Q122 PolarHBondContact O-N 3.04Å; S118-Q122 VanDerWaalsContact O-N 3.08Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; Q122-L124 PolarHBondContact O-N 3.34Å; Q122-N125 PolarHBondContact O-N 3.37Å; Q122-N125 PolarHBondContact O-OD1 3.5Å
123M90.3Very high92.1Very high94 Ų9454.5 Ų54.546%0.46329%0.294SS..Hα-helixtrans-59.2-30.9178.7-176.9-174.8-62.700113.2R55 D119 V120R55-M123 HydrophobicContact CG-CE 4.49Å; D119-M123 VanDerWaalsContact O-CB 3.3Å; D119-M123 WeakPolarHBondContact O-CB 3.46Å; D119-M123 PolarHBondContact O-N 3.29Å; V120-M123 PolarHBondContact O-N 3.48Å
124L90.6Very high92.1Very high42 Ų4253.9 Ų53.922%0.2229%0.291CS..THydrogen-bonded Turntrans-99.33.6-179.9-65.2173.4000113.1F54 F71 V120 F121 Q122 M126 L133 F135F54-L124 HydrophobicContact CZ-CD1 4.09Å; F71-L124 HydrophobicContact CE1-CD1 3.87Å; F71-L124 HydrophobicContact CE2-CD1 4.07Å; F71-L124 HydrophobicContact CZ-CD1 3.42Å; F71-L124 VanDerWaalsContact CZ-CD1 3.42Å; V120-L124 HydrophobicContact CG1-CD1 3.94Å; V120-L124 WeakPolarHBondContact O-CG 3.26Å; V120-L124 PolarHBondContact O-N 2.87Å; F121-L124 PolarHBondContact O-N 3.49Å; Q122-L124 PolarHBondContact O-N 3.34Å; L124-M126 VanDerWaalsContact C-N 3.27Å; L124-M126 HydrophobicContact CB-CE 3.82Å; L124-M126 HydrophobicContact CB-CG 3.99Å; L124-M126 HydrophobicContact CB-SD 4.2Å; L124-M126 HydrophobicContact CD1-CE 3.67Å; L124-M126 HydrophobicContact CD1-SD 4.36Å; L124-M126 HydrophobicContact CG-CE 4.37Å; L124-M126 PolarHBondContact O-N 2.95Å; L124-L133 HydrophobicContact CD1-CD1 4.11Å; L124-F135 HydrophobicContact CD1-CZ 4.38Å
125N91.4Very high92.2Very high142 Ų14250.9 Ų50.976%0.75928%0.277SS*.THydrogen-bonded Turntrans51.143.5-175.6-69.3-32.4000113.2F121 Q122F121-N125 PolarHBondContact O-N 2.95Å; F121-N125 VanDerWaalsContact O-N 3.08Å; Q122-N125 PolarHBondContact O-N 3.37Å; Q122-N125 PolarHBondContact O-OD1 3.5Å
126M88.9Confident92.3Very high27 Ų2748.7 Ų48.713%0.13327%0.267CS..  trans-96.2119.8178.1-65.7-177.1-57.500110.6F71 F121 L124 T131 L133F71-M126 HydrophobicContact CB-CE 3.97Å; F71-M126 HydrophobicContact CB-SD 4.28Å; F71-M126 HydrophobicContact CD1-CE 3.3Å; F71-M126 HydrophobicContact CD1-SD 4.41Å; F71-M126 HydrophobicContact CD2-CE 3.77Å; F71-M126 HydrophobicContact CD2-SD 3.83Å; F71-M126 HydrophobicContact CE1-CE 3.64Å; F71-M126 HydrophobicContact CE2-CE 4.08Å; F71-M126 HydrophobicContact CE2-SD 4.3Å; F71-M126 HydrophobicContact CG-CE 3.36Å; F71-M126 HydrophobicContact CG-SD 3.89Å; F71-M126 HydrophobicContact CZ-CE 4.01Å; F121-M126 HydrophobicContact CD1-CB 4.02Å; F121-M126 HydrophobicContact CD1-CE 3.97Å; F121-M126 HydrophobicContact CE1-CE 4.33Å; F121-M126 HydrophobicContact CG-CE 4.14Å; F121-M126 PolarHBondContact O-N 2.69Å; L124-M126 VanDerWaalsContact C-N 3.27Å; L124-M126 HydrophobicContact CB-CE 3.82Å; L124-M126 HydrophobicContact CB-CG 3.99Å; L124-M126 HydrophobicContact CB-SD 4.2Å; L124-M126 HydrophobicContact CD1-CE 3.67Å; L124-M126 HydrophobicContact CD1-SD 4.36Å; L124-M126 HydrophobicContact CG-CE 4.37Å; L124-M126 PolarHBondContact O-N 2.95Å; M126-T131 HydrophobicContact SD-CG2 4.24Å; M126-L133 HydrophobicContact SD-CD1 4.26Å
127N86.9Confident92.2Very high166 Ų16646.1 Ų46.189%0.88826%0.259SS*.  trans-101.7-3.4-179.8-61.1-20.8000113
128S86.2Confident92.1Very high82 Ų8254.8 Ų54.857%0.57330%0.297SS*.SBendtrans-143.5150.7-173.958.20000112.3T131S128-T131 PolarHBondContact O-OG1 3.22Å
129A90.8Very high91.8Very high33 Ų3355.1 Ų55.127%0.27331%0.308SS..SBendtrans-127.9153.2172.900000109.9A73A73-A129 HydrophobicContact CB-CB 4.22Å
130P94.3Very high91.4Very high8 Ų861.5 Ų61.55%0.05233%0.333CS..  cis-82.9150.6-3.232.2-31.7000113.2F71 V82 A86 L149F71-P130 CarbonylContact O-C 3.58Å; F71-P130 WeakPolarHBondContact O-CA 3.44Å; V82-P130 HydrophobicContact CG1-CG 4.07Å; A86-P130 HydrophobicContact CB-CB 4.17Å; A86-P130 HydrophobicContact CB-CG 3.74Å; P130-L149 HydrophobicContact CG-CD2 3.86Å; P130-L149 VanDerWaalsContact O-CD2 3.31Å; P130-L149 WeakPolarHBondContact O-CD2 3.32Å
131T94.3Very high91.1Very high27 Ų2763.8 Ų63.817%0.16635%0.348CS..EExtended strand (participates in β ladder)trans-133.4136173.7-58.50000109.9F71 M126 S128 L133F71-T131 PolarHBondContact N-O 2.86Å; F71-T131 PolarHBondContact O-N 3.04Å; M126-T131 HydrophobicContact SD-CG2 4.24Å; S128-T131 PolarHBondContact O-OG1 3.22Å; T131-L133 HydrophobicContact CG2-CD2 4.3Å; T131-L133 HydrophobicContact CG2-CG 4.36Å
132F95.8Very high90.9Very high1 Ų172.8 Ų72.80%0.00438%0.382CS..EExtended strand (participates in β ladder)trans-108.8127.4176.1-53.9-91.4000111I69 M70 A86 F90 Y147 L149 F154 L159 W162I69-F132 WeakPolarHBondContact O-CA 3.39Å; M70-F132 HydrophobicContact CB-CD1 3.75Å; M70-F132 HydrophobicContact CB-CE1 3.69Å; M70-F132 HydrophobicContact CG-CD1 3.82Å; M70-F132 HydrophobicContact CG-CE1 3.4Å; M70-F132 VanDerWaalsContact CG-CE1 3.4Å; M70-F132 HydrophobicContact CG-CZ 4.03Å; M70-F132 HydrophobicContact SD-CE1 3.7Å; M70-F132 HydrophobicContact SD-CZ 4.04Å; A86-F132 HydrophobicContact CB-CZ 4.08Å; F90-F132 HydrophobicContact CB-CE1 4.08Å; F90-F132 AromaticContact CD2-CD1 3.87Å; F90-F132 HydrophobicContact CD2-CD1 3.87Å; F90-F132 AromaticContact CD2-CE1 3.52Å; F90-F132 HydrophobicContact CD2-CE1 3.52Å; F90-F132 AromaticContact CE2-CD1 3.98Å; F90-F132 HydrophobicContact CE2-CD1 3.98Å; F90-F132 HydrophobicContact CE2-CE1 4.11Å; F90-F132 AromaticContact CG-CE1 3.92Å; F90-F132 HydrophobicContact CG-CE1 3.92Å; F132-Y147 HydrophobicContact CB-CG 4.44Å; F132-Y147 AromaticContact CD2-CD1 3.92Å; F132-Y147 HydrophobicContact CD2-CD1 3.92Å; F132-Y147 PolarHBondContact O-N 3.16Å; F132-L149 HydrophobicContact CD2-CD1 4.49Å; F132-L149 HydrophobicContact CE2-CD1 4.02Å; F132-F154 HydrophobicContact CE2-CB 4.35Å; F132-L159 HydrophobicContact CD1-CD2 4.37Å; F132-L159 HydrophobicContact CD2-CD2 4.15Å; F132-L159 HydrophobicContact CE1-CD1 4.24Å; F132-L159 HydrophobicContact CE1-CD2 4.5Å; F132-L159 HydrophobicContact CE2-CD2 4.29Å; F132-L159 HydrophobicContact CG-CD2 4.18Å; F132-L159 HydrophobicContact CZ-CD1 4.16Å; F132-L159 HydrophobicContact CZ-CD2 4.45Å; F132-W162 HydrophobicContact CB-CH2 4.29Å; F132-W162 HydrophobicContact CB-CZ3 4.2Å
133L95.4Very high90.6Very high16 Ų1677.3 Ų77.38%0.08439%0.393CS..EExtended strand (participates in β ladder)trans-125.8141.2177.4-62.2-177000111.3I69 F71 L124 M126 T131 F135 D145 T146I69-L133 PolarHBondContact N-O 3.33Å; I69-L133 PolarHBondContact O-N 2.58Å; F71-L133 HydrophobicContact CD2-CD1 4.21Å; F71-L133 HydrophobicContact CD2-CG 4.22Å; F71-L133 HydrophobicContact CE2-CB 4.02Å; F71-L133 HydrophobicContact CE2-CD1 3.6Å; F71-L133 HydrophobicContact CE2-CG 3.86Å; F71-L133 HydrophobicContact CZ-CD1 4.38Å; L124-L133 HydrophobicContact CD1-CD1 4.11Å; M126-L133 HydrophobicContact SD-CD1 4.26Å; T131-L133 HydrophobicContact CG2-CD2 4.3Å; T131-L133 HydrophobicContact CG2-CG 4.36Å; L133-F135 HydrophobicContact CB-CD2 4.44Å; L133-F135 HydrophobicContact CB-CE2 3.82Å; L133-F135 HydrophobicContact CB-CZ 4.43Å; L133-F135 HydrophobicContact CD1-CE2 4.32Å; L133-F135 HydrophobicContact CD1-CZ 4.19Å; L133-D145 CarbonylContact C-O 3.58Å; L133-D145 WeakPolarHBondContact CA-O 3.28Å; L133-T146 HydrophobicContact CD2-CG2 3.64Å; L133-T146 VanDerWaalsContact CD2-OG1 3.27Å; L133-T146 WeakPolarHBondContact CD2-OG1 3.46Å
134H96Very high90.4Very high5 Ų575.1 Ų75.12%0.02339%0.387CS..EExtended strand (participates in β ladder)trans-99.7129169.3167.9-121000109.9S66 F68 D145 W162S66-H134 WeakPolarHBondContact CB-NE2 3.29Å; S66-H134 PolarHBondContact OG-NE2 3.23Å; F68-H134 HydrophobicContact CD1-CB 3.81Å; F68-H134 HydrophobicContact CE1-CB 3.63Å; F68-H134 AromaticContact CE1-CD2 3.56Å; F68-H134 AromaticContact CE1-CG 3.7Å; F68-H134 AromaticContact CE2-CD2 3.92Å; F68-H134 HydrophobicContact CZ-CB 4.46Å; F68-H134 AromaticContact CZ-CD2 3.51Å; H134-D145 HydrophobicContact CB-CB 3.94Å; H134-D145 IonicContact CE1-OD1 2.77Å; H134-D145 IonicContact CG-OD1 3.77Å; H134-D145 PolarHBondContact N-O 3.43Å; H134-D145 IonicContact ND1-OD1 3.87Å; H134-D145 PolarHBondContact ND1-OD1 2.89Å; H134-D145 WeakPolarHBondContact O-CB 3.35Å; H134-W162 HydrophobicContact CB-CH2 3.83Å; H134-W162 HydrophobicContact CB-CZ2 3.68Å
135F95.2Very high90.4Very high4 Ų473.6 Ų73.62%0.01838%0.379CS..EExtended strand (participates in β ladder)trans-108.3108.6172.2-71.3-89.9000109.1F54 V58 S66 V67 I69 F71 L124 L133 P141F54-F135 HydrophobicContact CE2-CE2 4.09Å; F54-F135 HydrophobicContact CE2-CZ 4.12Å; F54-F135 HydrophobicContact CZ-CE1 4.3Å; F54-F135 HydrophobicContact CZ-CE2 4.24Å; F54-F135 AromaticContact CZ-CZ 3.8Å; F54-F135 HydrophobicContact CZ-CZ 3.8Å; V58-F135 HydrophobicContact CG1-CB 3.81Å; V58-F135 HydrophobicContact CG1-CD1 3.8Å; V58-F135 HydrophobicContact CG1-CD2 3.6Å; V58-F135 HydrophobicContact CG1-CE1 4.29Å; V58-F135 HydrophobicContact CG1-CE2 4.09Å; V58-F135 HydrophobicContact CG1-CG 3.43Å; V58-F135 VanDerWaalsContact CG1-CG 3.43Å; V58-F135 HydrophobicContact CG1-CZ 4.42Å; S66-F135 WeakPolarHBondContact CA-O 3.14Å; V67-F135 PolarHBondContact N-O 3.04Å; V67-F135 PolarHBondContact O-N 2.96Å; I69-F135 HydrophobicContact CD1-CD2 3.65Å; I69-F135 HydrophobicContact CD1-CE2 3.8Å; I69-F135 HydrophobicContact CG1-CD2 4.12Å; I69-F135 HydrophobicContact CG1-CE2 4.38Å; F71-F135 HydrophobicContact CE2-CE2 4.47Å; F71-F135 HydrophobicContact CZ-CE2 4.44Å; L124-F135 HydrophobicContact CD1-CZ 4.38Å; L133-F135 HydrophobicContact CB-CD2 4.44Å; L133-F135 HydrophobicContact CB-CE2 3.82Å; L133-F135 HydrophobicContact CB-CZ 4.43Å; L133-F135 HydrophobicContact CD1-CE2 4.32Å; L133-F135 HydrophobicContact CD1-CZ 4.19Å; F135-P141 HydrophobicContact CD1-CG 3.41Å; F135-P141 VanDerWaalsContact CD1-CG 3.41Å; F135-P141 HydrophobicContact CE1-CG 3.5Å; F135-P141 HydrophobicContact CG-CG 4.21Å; F135-P141 HydrophobicContact CZ-CG 4.35Å
136P94.1Very high90.5Very high21 Ų2169.8 Ų69.814%0.13636%0.361CS..  trans-68.2159178.927.4-34.1000111.6R63 K138R63-P136 PolarHBondContact NH2-O 3.34Å; R63-P136 VanDerWaalsContact NH2-O 3.14Å; P136-K138 PolarHBondContact O-N 3.37Å
137P90.7Very high90.7Very high46 Ų4668.9 Ų68.930%0.29936%0.356SS..SBendtrans-61.8-32.1178.824.1-34.7000112.1Y65 S66Y65-P137 WeakPolarHBondContact O-CA 3.5Å; S66-P137 WeakPolarHBondContact OG-CD 3.32Å
138K87.6Confident90.7Very high182 Ų18266.7 Ų66.779%0.79134%0.341SS*.SBendtrans-126.7138179.6-64.5-178-179.3177.70110.5P136P136-K138 PolarHBondContact O-N 3.37Å
139G85.9Confident90.8Very high59 Ų5964.5 Ų64.561%0.60832%0.322SS*.SBendtrans85.4-172.9176.100000114.5
140K85.7Confident90.5Very high188 Ų18872.4 Ų72.482%0.81735%0.353SS*.PPolyproline II helixtrans-92151.8174.5-64.7-177.2-177.8179.30109.7
141P87.7Confident90.1Very high49 Ų4977.6 Ų77.632%0.31839%0.385SS..PPolyproline II helixtrans-55.7137.5172.4-23.833.7000111.9F135 D145F135-P141 HydrophobicContact CD1-CG 3.41Å; F135-P141 VanDerWaalsContact CD1-CG 3.41Å; F135-P141 HydrophobicContact CE1-CG 3.5Å; F135-P141 HydrophobicContact CG-CG 4.21Å; F135-P141 HydrophobicContact CZ-CG 4.35Å; P141-D145 HydrophobicContact CB-CB 4.09Å
142R89.5Confident89.6Confident193 Ų19381.6 Ų81.673%0.72840%0.397SS*.PPolyproline II helixtrans-86.4168171.9-61.3-179.3179.8-171.5-0.5109.9S144 D145R142-S144 PolarHBondContact O-N 3.38Å; R142-D145 PolarHBondContact N-OD2 3.4Å; R142-D145 VanDerWaalsContact O-CB 3.3Å; R142-D145 WeakPolarHBondContact O-CB 3.38Å; R142-D145 PolarHBondContact O-N 3.05Å
143R85.3Confident89.3Confident239 Ų23982.9 Ų82.990%0.90241%0.41SS*.G310 helixtrans-56-38.3175-72.2-173.4177.5174.7-0.5112.4D145 T146R143-D145 PolarHBondContact O-N 3.08Å; R143-T146 WeakPolarHBondContact O-CB 3.13Å; R143-T146 PolarHBondContact O-N 3.27Å
144S85.6Confident89.1Confident47 Ų4784.8 Ų84.833%0.32942%0.418SS..G310 helixtrans-69.7-13.6178.162.20000114.6R142 T146 W162 R166R142-S144 PolarHBondContact O-N 3.38Å; S144-T146 VanDerWaalsContact C-N 3.25Å; S144-W162 PolarHBondContact O-NE1 3.48Å; S144-R166 VanDerWaalsContact CB-CZ 3.48Å; S144-R166 VanDerWaalsContact CB-NH1 3.29Å; S144-R166 PolarHBondContact O-NE 3.31Å; S144-R166 VanDerWaalsContact O-NE 3.1Å; S144-R166 PolarHBondContact OG-NH1 3.46Å
145D91.5Very high88.9Confident10 Ų1086.5 Ų86.55%0.05343%0.431CS..G310 helixtrans-84.7-1.3172.4-62.8-41.1000112L133 H134 P141 R142 R143 W162 R166L133-D145 CarbonylContact C-O 3.58Å; L133-D145 WeakPolarHBondContact CA-O 3.28Å; H134-D145 HydrophobicContact CB-CB 3.94Å; H134-D145 IonicContact CE1-OD1 2.77Å; H134-D145 IonicContact CG-OD1 3.77Å; H134-D145 PolarHBondContact N-O 3.43Å; H134-D145 IonicContact ND1-OD1 3.87Å; H134-D145 PolarHBondContact ND1-OD1 2.89Å; H134-D145 WeakPolarHBondContact O-CB 3.35Å; P141-D145 HydrophobicContact CB-CB 4.09Å; R142-D145 PolarHBondContact N-OD2 3.4Å; R142-D145 VanDerWaalsContact O-CB 3.3Å; R142-D145 WeakPolarHBondContact O-CB 3.38Å; R142-D145 PolarHBondContact O-N 3.05Å; R143-D145 PolarHBondContact O-N 3.08Å; D145-W162 WeakPolarHBondContact O-CZ2 3.34Å; D145-R166 VanDerWaalsContact OD1-CD 3.25Å; D145-R166 WeakPolarHBondContact OD1-CD 3.36Å
146T92.4Very high88.8Confident63 Ų6386.3 Ų86.339%0.38743%0.43SS..BIsolated β-bridgetrans-96.4125.6166.8-54.90000108.7L133 R143 S144L133-T146 HydrophobicContact CD2-CG2 3.64Å; L133-T146 VanDerWaalsContact CD2-OG1 3.27Å; L133-T146 WeakPolarHBondContact CD2-OG1 3.46Å; R143-T146 WeakPolarHBondContact O-CB 3.13Å; R143-T146 PolarHBondContact O-N 3.27Å; S144-T146 VanDerWaalsContact C-N 3.25Å
147Y93.1Very high88.8Confident8 Ų888.5 Ų88.53%0.03144%0.44CS..  trans-82126.6179.7-174.3-103.3000111.3F132 L149 R152 G153 Q158 L159 W162F132-Y147 HydrophobicContact CB-CG 4.44Å; F132-Y147 AromaticContact CD2-CD1 3.92Å; F132-Y147 HydrophobicContact CD2-CD1 3.92Å; F132-Y147 PolarHBondContact O-N 3.16Å; Y147-L149 HydrophobicContact CD1-CB 4.41Å; Y147-L149 HydrophobicContact CE1-CD1 4.3Å; Y147-L149 PolarHBondContact O-N 3.28Å; Y147-R152 HydrophobicContact CE1-CB 4.38Å; Y147-R152 HydrophobicContact CE2-CB 4.23Å; Y147-R152 VanDerWaalsContact OH-CB 3.25Å; Y147-R152 WeakPolarHBondContact OH-CB 3.34Å; Y147-G153 WeakPolarHBondContact CE1-O 3.44Å; Y147-G153 VanDerWaalsContact CZ-O 3.26Å; Y147-G153 PolarHBondContact OH-O 2.96Å; Y147-Q158 WeakPolarHBondContact OH-CB 3.26Å; Y147-L159 HydrophobicContact CD1-CD2 4.02Å; Y147-L159 HydrophobicContact CD2-CD2 4.3Å; Y147-L159 HydrophobicContact CE1-CD2 3.78Å; Y147-L159 HydrophobicContact CE2-CD2 4.08Å; Y147-L159 HydrophobicContact CG-CD2 4.26Å; Y147-W162 HydrophobicContact CD2-CB 3.83Å; Y147-W162 AromaticContact CD2-CD1 3.94Å; Y147-W162 AromaticContact CD2-CD2 3.62Å; Y147-W162 HydrophobicContact CD2-CD2 3.62Å; Y147-W162 HydrophobicContact CD2-CE3 4.02Å; Y147-W162 AromaticContact CD2-CG 3.52Å; Y147-W162 HydrophobicContact CD2-CG 3.52Å; Y147-W162 HydrophobicContact CE2-CB 3.79Å; Y147-W162 HydrophobicContact CE2-CD2 4.44Å; Y147-W162 HydrophobicContact CE2-CG 4.03Å; Y147-W162 HydrophobicContact CG-CD2 4.34Å; Y147-W162 HydrophobicContact CG-CE3 4.48Å
148E88.5Confident88.9Confident120 Ų12089.4 Ų89.456%0.56144%0.44SS*.  trans-81.180.5178.5-68.7174.9-167.400111.3Q150 V151 R152E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3Å; E148-V151 PolarHBondContact O-N 2.88Å; E148-R152 PolarHBondContact O-N 3.35Å; E148-R152 VanDerWaalsContact O-N 3.13Å
149L88.4Confident89.2Confident36 Ų3680.8 Ų80.819%0.18840%0.403CS..Hα-helixtrans-54.9-40.6-177.4-177.364.6000113.5P130 F132 Y147 V151 G153 F154P130-L149 HydrophobicContact CG-CD2 3.86Å; P130-L149 VanDerWaalsContact O-CD2 3.31Å; P130-L149 WeakPolarHBondContact O-CD2 3.32Å; F132-L149 HydrophobicContact CD2-CD1 4.49Å; F132-L149 HydrophobicContact CE2-CD1 4.02Å; Y147-L149 HydrophobicContact CD1-CB 4.41Å; Y147-L149 HydrophobicContact CE1-CD1 4.3Å; Y147-L149 PolarHBondContact O-N 3.28Å; L149-V151 VanDerWaalsContact C-N 3.29Å; L149-V151 PolarHBondContact O-N 2.96Å; L149-G153 WeakPolarHBondContact O-CA 3.47Å; L149-G153 PolarHBondContact O-N 3.21Å; L149-F154 HydrophobicContact CD1-CB 3.58Å; L149-F154 HydrophobicContact CD1-CD1 3.72Å; L149-F154 HydrophobicContact CD1-CG 4.12Å
150Q83.2Confident89.6Confident198 Ų19878.2 Ų78.293%0.92538%0.376SS*.Hα-helixtrans-66.6-30-174.3-66.6179.7-12.700113.1E148E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3Å
151V85.3Confident90Very high117 Ų11776.3 Ų76.371%0.70936%0.364SS*.Hα-helixtrans-95.9-42.8-175.7-177.50000111E148 L149E148-V151 PolarHBondContact O-N 2.88Å; L149-V151 VanDerWaalsContact C-N 3.29Å; L149-V151 PolarHBondContact O-N 2.96Å
152R84.9Confident90.4Very high111 Ų11174.2 Ų74.242%0.41935%0.35SS..Hα-helixtrans-93.7-16.2-171.5-61.4-176.1-178.1-154-2.8114Y147 E148Y147-R152 HydrophobicContact CE1-CB 4.38Å; Y147-R152 HydrophobicContact CE2-CB 4.23Å; Y147-R152 VanDerWaalsContact OH-CB 3.25Å; Y147-R152 WeakPolarHBondContact OH-CB 3.34Å; E148-R152 PolarHBondContact O-N 3.35Å; E148-R152 VanDerWaalsContact O-N 3.13Å
153G89.4Confident90.6Very high28 Ų2865.1 Ų65.129%0.28932%0.315SS..  trans70.3-179.2-170.400000112.4Y147 L149Y147-G153 WeakPolarHBondContact CE1-O 3.44Å; Y147-G153 VanDerWaalsContact CZ-O 3.26Å; Y147-G153 PolarHBondContact OH-O 2.96Å; L149-G153 WeakPolarHBondContact O-CA 3.47Å; L149-G153 PolarHBondContact O-N 3.21Å
154F91.3Very high91Very high57 Ų5754.7 Ų54.725%0.2528%0.281CS..  trans-115.622.2-174.145.1-92.8000114V82 Q85 A86 E89 F132 L149V82-F154 HydrophobicContact CG1-CE1 4.07Å; Q85-F154 HydrophobicContact CB-CE2 3.79Å; Q85-F154 HydrophobicContact CB-CZ 4.17Å; A86-F154 HydrophobicContact CB-CB 4.33Å; A86-F154 HydrophobicContact CB-CD2 4.36Å; A86-F154 HydrophobicContact CB-CG 4.27Å; E89-F154 WeakPolarHBondContact CB-O 3.15Å; E89-F154 HydrophobicContact CG-CD2 4.31Å; F132-F154 HydrophobicContact CE2-CB 4.35Å; L149-F154 HydrophobicContact CD1-CB 3.58Å; L149-F154 HydrophobicContact CD1-CD1 3.72Å; L149-F154 HydrophobicContact CD1-CG 4.12Å
155S92.3Very high91.3Very high41 Ų4157.2 Ų57.229%0.28729%0.291SS..  trans-64.6142.1176.361.70000111E89 D157 Q158 L159E89-S155 WeakPolarHBondContact OE2-CA 3.38Å; S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact O-N 3.16Å; S155-Q158 PolarHBondContact O-N 2.94Å; S155-Q158 WeakPolarHBondContact OG-CG 3.29Å; S155-L159 PolarHBondContact O-N 2.85Å
156A93.1Very high91.4Very high0 Ų060.8 Ų60.80%030%0.303CS..Hα-helixtrans-54.7-35.7-179.400000111.9E89 V92 L93 L159 A160 V173E89-A156 HydrophobicContact CB-CB 4.46Å; E89-A156 WeakPolarHBondContact O-CB 3.25Å; E89-A156 WeakPolarHBondContact OE2-CB 3.38Å; E89-A156 PolarHBondContact OE2-N 3.25Å; V92-A156 HydrophobicContact CB-CB 4.32Å; V92-A156 HydrophobicContact CG1-CB 4.08Å; L93-A156 HydrophobicContact CB-CB 4.33Å; A156-L159 PolarHBondContact O-N 3.44Å; A156-A160 VanDerWaalsContact O-CB 3.32Å; A156-A160 WeakPolarHBondContact O-CB 3.05Å; A156-A160 PolarHBondContact O-N 3.2Å; A156-V173 HydrophobicContact CB-CG1 3.7Å; A156-V173 HydrophobicContact CB-CG2 4.28Å
157D92.8Very high91.3Very high67 Ų6759.2 Ų59.236%0.35829%0.294SS..Hα-helixtrans-65-38.9177.3-58.5-71.2000112.6S155 R161 R175S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact O-N 3.16Å; D157-R161 WeakPolarHBondContact O-CG 3.4Å; D157-R161 PolarHBondContact O-N 3.45Å; D157-R161 VanDerWaalsContact O-N 3.1Å; D157-R175 IonicContact OD2-CZ 3.28Å; D157-R175 IonicContact OD2-NE 3.8Å; D157-R175 IonicContact OD2-NH2 3.86Å; D157-R175 PolarHBondContact OD2-NH2 3.49Å
158Q93.8Very high91.2Very high64 Ų6466 Ų6630%0.29933%0.33SS..Hα-helixtrans-75.1-38177.3-64.6-67.7-0.300111.5Y147 S155 A160 R161 W162Y147-Q158 WeakPolarHBondContact OH-CB 3.26Å; S155-Q158 PolarHBondContact O-N 2.94Å; S155-Q158 WeakPolarHBondContact OG-CG 3.29Å; Q158-A160 VanDerWaalsContact C-N 3.32Å; Q158-R161 VanDerWaalsContact NE2-NH1 3.17Å; Q158-R161 PolarHBondContact O-N 3.37Å; Q158-W162 PolarHBondContact O-N 3.41Å
159L94.6Very high91.2Very high1 Ų162 Ų621%0.00531%0.314CS..Hα-helixtrans-63.1-40172.4-66.7171.9000111.1F90 L93 F132 Y147 S155 A156 W162 V163F90-L159 HydrophobicContact CD2-CD1 4.33Å; L93-L159 HydrophobicContact CD2-CB 3.66Å; F132-L159 HydrophobicContact CD1-CD2 4.37Å; F132-L159 HydrophobicContact CD2-CD2 4.15Å; F132-L159 HydrophobicContact CE1-CD1 4.24Å; F132-L159 HydrophobicContact CE1-CD2 4.5Å; F132-L159 HydrophobicContact CE2-CD2 4.29Å; F132-L159 HydrophobicContact CG-CD2 4.18Å; F132-L159 HydrophobicContact CZ-CD1 4.16Å; F132-L159 HydrophobicContact CZ-CD2 4.45Å; Y147-L159 HydrophobicContact CD1-CD2 4.02Å; Y147-L159 HydrophobicContact CD2-CD2 4.3Å; Y147-L159 HydrophobicContact CE1-CD2 3.78Å; Y147-L159 HydrophobicContact CE2-CD2 4.08Å; Y147-L159 HydrophobicContact CG-CD2 4.26Å; S155-L159 PolarHBondContact O-N 2.85Å; A156-L159 PolarHBondContact O-N 3.44Å; L159-W162 PolarHBondContact O-N 3.34Å; L159-V163 VanDerWaalsContact O-CG2 3.3Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.28Å
160A94.4Very high91.3Very high6 Ų668.2 Ų68.25%0.0534%0.342CS..Hα-helixtrans-61.5-42.8174.400000112.4L93 A156 Q158 V163 A164 I171 V173L93-A160 HydrophobicContact CD1-CB 3.66Å; A156-A160 VanDerWaalsContact O-CB 3.32Å; A156-A160 WeakPolarHBondContact O-CB 3.05Å; A156-A160 PolarHBondContact O-N 3.2Å; Q158-A160 VanDerWaalsContact C-N 3.32Å; A160-V163 PolarHBondContact O-N 3.12Å; A160-A164 PolarHBondContact O-N 3.4Å; A160-I171 HydrophobicContact CB-CB 4.37Å; A160-V173 HydrophobicContact CB-CG2 3.7Å
161R93.8Very high91.7Very high147 Ų14759.4 Ų59.456%0.55530%0.301SS*.Hα-helixtrans-62.6-43.2174.4-72.9172.3-176.8164.1-0.3111.8D157 Q158 V163 A164 D165D157-R161 WeakPolarHBondContact O-CG 3.4Å; D157-R161 PolarHBondContact O-N 3.45Å; D157-R161 VanDerWaalsContact O-N 3.1Å; Q158-R161 VanDerWaalsContact NE2-NH1 3.17Å; Q158-R161 PolarHBondContact O-N 3.37Å; R161-V163 VanDerWaalsContact C-N 3.34Å; R161-V163 PolarHBondContact O-N 3.11Å; R161-A164 WeakPolarHBondContact O-CB 3.44Å; R161-A164 PolarHBondContact O-N 3.31Å; R161-D165 VanDerWaalsContact O-CG 3.3Å; R161-D165 PolarHBondContact O-N 2.04Å
162W94.5Very high92Very high6 Ų663.8 Ų63.82%0.02331%0.305CS..Hα-helixtrans-63.4-39.7175.5171.567.7000112.3F68 F132 H134 S144 D145 Y147 Q158 L159 A164 D165 R166F68-W162 HydrophobicContact CD1-CE3 4.1Å; F68-W162 AromaticContact CD1-CH2 3.59Å; F68-W162 HydrophobicContact CD1-CH2 3.59Å; F68-W162 HydrophobicContact CD1-CZ2 4.41Å; F68-W162 AromaticContact CD1-CZ3 3.4Å; F68-W162 HydrophobicContact CD1-CZ3 3.4Å; F68-W162 VanDerWaalsContact CD1-CZ3 3.4Å; F68-W162 HydrophobicContact CE1-CE3 4.13Å; F68-W162 AromaticContact CE1-CH2 3.95Å; F68-W162 HydrophobicContact CE1-CH2 3.95Å; F68-W162 HydrophobicContact CE1-CZ2 4.35Å; F68-W162 AromaticContact CE1-CZ3 3.83Å; F68-W162 HydrophobicContact CE1-CZ3 3.83Å; F132-W162 HydrophobicContact CB-CH2 4.29Å; F132-W162 HydrophobicContact CB-CZ3 4.2Å; H134-W162 HydrophobicContact CB-CH2 3.83Å; H134-W162 HydrophobicContact CB-CZ2 3.68Å; S144-W162 PolarHBondContact O-NE1 3.48Å; D145-W162 WeakPolarHBondContact O-CZ2 3.34Å; Y147-W162 HydrophobicContact CD2-CB 3.83Å; Y147-W162 AromaticContact CD2-CD1 3.94Å; Y147-W162 AromaticContact CD2-CD2 3.62Å; Y147-W162 HydrophobicContact CD2-CD2 3.62Å; Y147-W162 HydrophobicContact CD2-CE3 4.02Å; Y147-W162 AromaticContact CD2-CG 3.52Å; Y147-W162 HydrophobicContact CD2-CG 3.52Å; Y147-W162 HydrophobicContact CE2-CB 3.79Å; Y147-W162 HydrophobicContact CE2-CD2 4.44Å; Y147-W162 HydrophobicContact CE2-CG 4.03Å; Y147-W162 HydrophobicContact CG-CD2 4.34Å; Y147-W162 HydrophobicContact CG-CE3 4.48Å; Q158-W162 PolarHBondContact O-N 3.41Å; L159-W162 PolarHBondContact O-N 3.34Å; W162-A164 VanDerWaalsContact C-N 3.34Å; W162-D165 PolarHBondContact O-N 3.14Å; W162-R166 VanDerWaalsContact O-CG 3.31Å; W162-R166 WeakPolarHBondContact O-CG 3.35Å; W162-R166 PolarHBondContact O-N 2.97Å
163V94.1Very high92.3Very high1 Ų159.6 Ų59.61%0.00629%0.292CS..Hα-helixtrans-59.3-47.2172170.80000110.3F68 L93 I107 F109 L159 A160 R161 D165 R166 T167 I171F68-V163 HydrophobicContact CD1-CG2 3.9Å; F68-V163 HydrophobicContact CD2-CG1 4.48Å; F68-V163 HydrophobicContact CD2-CG2 4.21Å; F68-V163 HydrophobicContact CE1-CB 4.23Å; F68-V163 HydrophobicContact CE1-CG1 4.45Å; F68-V163 HydrophobicContact CE1-CG2 3.66Å; F68-V163 HydrophobicContact CE2-CB 4.33Å; F68-V163 HydrophobicContact CE2-CG1 3.7Å; F68-V163 HydrophobicContact CE2-CG2 4.01Å; F68-V163 HydrophobicContact CG-CG2 4.15Å; F68-V163 HydrophobicContact CZ-CB 3.92Å; F68-V163 HydrophobicContact CZ-CG1 3.67Å; F68-V163 HydrophobicContact CZ-CG2 3.72Å; L93-V163 HydrophobicContact CD2-CG2 4.38Å; I107-V163 HydrophobicContact CD1-CG1 4.47Å; F109-V163 HydrophobicContact CE1-CG2 4.11Å; F109-V163 HydrophobicContact CZ-CG2 4.3Å; L159-V163 VanDerWaalsContact O-CG2 3.3Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.28Å; A160-V163 PolarHBondContact O-N 3.12Å; R161-V163 VanDerWaalsContact C-N 3.34Å; R161-V163 PolarHBondContact O-N 3.11Å; V163-D165 VanDerWaalsContact C-N 3.34Å; V163-D165 PolarHBondContact O-N 3.25Å; V163-R166 PolarHBondContact O-N 3.02Å; V163-T167 PolarHBondContact O-N 3.43Å; V163-T167 PolarHBondContact O-OG1 2.79Å; V163-I171 HydrophobicContact CB-CD1 4.35Å; V163-I171 HydrophobicContact CG1-CD1 3.71Å
164A93.8Very high92.2Very high21 Ų2163.6 Ų63.617%0.17431%0.305CS..Hα-helixtrans-58.6-43.4176.800000112.2A160 R161 W162 R166 D168 V169 Q170A160-A164 PolarHBondContact O-N 3.4Å; R161-A164 WeakPolarHBondContact O-CB 3.44Å; R161-A164 PolarHBondContact O-N 3.31Å; W162-A164 VanDerWaalsContact C-N 3.34Å; A164-R166 PolarHBondContact O-N 3.31Å; A164-D168 VanDerWaalsContact O-CA 3.23Å; A164-D168 WeakPolarHBondContact O-CA 3.02Å; A164-D168 PolarHBondContact O-N 3.45Å; A164-V169 WeakPolarHBondContact CA-O 3.46Å; A164-V169 WeakPolarHBondContact CB-O 3.5Å; A164-Q170 HydrophobicContact CB-CG 4.31Å
165D93.1Very high91.9Very high100 Ų10066.4 Ų66.454%0.53531%0.314SS..Hα-helixtrans-61.4-27.6176.6-67.7-17.8000113.2R161 W162 V163R161-D165 VanDerWaalsContact O-CG 3.3Å; R161-D165 PolarHBondContact O-N 2.04Å; W162-D165 PolarHBondContact O-N 3.14Å; V163-D165 VanDerWaalsContact C-N 3.34Å; V163-D165 PolarHBondContact O-N 3.25Å
166R92.4Very high91.3Very high84 Ų8468.8 Ų68.832%0.31733%0.329SS..Hα-helixtrans-95.2-35.7-176.8-62.6-59.4127.8-154.51.9113.4F68 S144 D145 W162 V163 A164F68-R166 HydrophobicContact CE1-CB 4.41Å; F68-R166 HydrophobicContact CZ-CB 4.27Å; S144-R166 VanDerWaalsContact CB-CZ 3.48Å; S144-R166 VanDerWaalsContact CB-NH1 3.29Å; S144-R166 PolarHBondContact O-NE 3.31Å; S144-R166 VanDerWaalsContact O-NE 3.1Å; S144-R166 PolarHBondContact OG-NH1 3.46Å; D145-R166 VanDerWaalsContact OD1-CD 3.25Å; D145-R166 WeakPolarHBondContact OD1-CD 3.36Å; W162-R166 VanDerWaalsContact O-CG 3.31Å; W162-R166 WeakPolarHBondContact O-CG 3.35Å; W162-R166 PolarHBondContact O-N 2.97Å; V163-R166 PolarHBondContact O-N 3.02Å; A164-R166 PolarHBondContact O-N 3.31Å
167T90.6Very high90.3Very high30 Ų3072.7 Ų72.718%0.18436%0.355CS..Hα-helixtrans-120.60.2-171.959.70000114.4F68 I107 V163 V169F68-T167 HydrophobicContact CE2-CG2 3.82Å; F68-T167 HydrophobicContact CZ-CG2 3.68Å; I107-T167 HydrophobicContact CD1-CG2 4.4Å; I107-T167 WeakPolarHBondContact CD1-OG1 3.06Å; V163-T167 PolarHBondContact O-N 3.43Å; V163-T167 PolarHBondContact O-OG1 2.79Å; T167-V169 PolarHBondContact O-N 3.4Å; T167-V169 VanDerWaalsContact O-N 3.14Å
168D90.7Very high89.6Confident150 Ų15075.2 Ų75.280%0.80237%0.368SS*.SBendtrans59.917.2-176.8-159.637.2000113.8A164A164-D168 VanDerWaalsContact O-CA 3.23Å; A164-D168 WeakPolarHBondContact O-CA 3.02Å; A164-D168 PolarHBondContact O-N 3.45Å
169V89.6Confident88.9Confident37 Ų3780.5 Ų80.522%0.22439%0.386CS..  trans-106.2116179.3175.90000109.2W97 I107 A164 T167 I171W97-V169 HydrophobicContact CE3-CG1 4.39Å; W97-V169 HydrophobicContact CH2-CG1 3.55Å; W97-V169 HydrophobicContact CZ3-CG1 3.46Å; W97-V169 VanDerWaalsContact CZ3-CG1 3.46Å; I107-V169 HydrophobicContact CD1-CB 3.59Å; I107-V169 HydrophobicContact CD1-CG1 3.88Å; I107-V169 HydrophobicContact CD1-CG2 3.63Å; A164-V169 WeakPolarHBondContact CA-O 3.46Å; A164-V169 WeakPolarHBondContact CB-O 3.5Å; T167-V169 PolarHBondContact O-N 3.4Å; T167-V169 VanDerWaalsContact O-N 3.14Å; V169-I171 HydrophobicContact CG1-CG1 4.36Å
170Q90.3Very high88.3Confident166 Ų16683.7 Ų83.778%0.77641%0.413SS*.  trans-85.3117177.5-62.5-172.84.200110.7A164A164-Q170 HydrophobicContact CB-CG 4.31Å
171I91.8Very high87.7Confident13 Ų1385.2 Ų85.27%0.06743%0.43CS..  trans-101.7117.3177.2-55.3173.5000108.4L93 W97 F109 A160 V163 V169 V173L93-I171 HydrophobicContact CD1-CB 4.35Å; L93-I171 HydrophobicContact CD1-CD1 4.25Å; L93-I171 HydrophobicContact CD1-CG2 4.02Å; W97-I171 HydrophobicContact CB-CD1 4.16Å; W97-I171 HydrophobicContact CB-CG2 4.17Å; W97-I171 HydrophobicContact CD2-CD1 4.23Å; W97-I171 HydrophobicContact CD2-CG1 4.39Å; W97-I171 HydrophobicContact CE3-CD1 4.09Å; W97-I171 HydrophobicContact CE3-CG1 3.75Å; W97-I171 HydrophobicContact CG-CD1 4.3Å; W97-I171 HydrophobicContact CZ3-CG1 4.31Å; F109-I171 HydrophobicContact CE2-CD1 4.2Å; F109-I171 HydrophobicContact CZ-CD1 3.73Å; A160-I171 HydrophobicContact CB-CB 4.37Å; V163-I171 HydrophobicContact CB-CD1 4.35Å; V163-I171 HydrophobicContact CG1-CD1 3.71Å; V169-I171 HydrophobicContact CG1-CG1 4.36Å; I171-V173 PolarHBondContact O-N 3.05Å
172R90.8Very high87.3Confident209 Ų20982.3 Ų82.379%0.78943%0.43SS*.  trans-80.8113.9172-175178.9179.5-175.40.3109.2S96S96-R172 WeakPolarHBondContact CB-O 3.33Å
173V91.5Very high87Confident24 Ų2488.1 Ų88.115%0.14546%0.46CS..  trans-73.5128.3179.8-177.80000110.4V92 L93 A156 A160 I171V92-V173 HydrophobicContact CG1-CG1 3.73Å; L93-V173 HydrophobicContact CD1-CG2 4.31Å; A156-V173 HydrophobicContact CB-CG1 3.7Å; A156-V173 HydrophobicContact CB-CG2 4.28Å; A160-V173 HydrophobicContact CB-CG2 3.7Å; I171-V173 PolarHBondContact O-N 3.05Å
174I87.4Confident86.7Confident111 Ų11193.6 Ų93.657%0.56949%0.489SS*.  trans-120.7115.7174.8-58174.2000107.4S96S96-I174 PolarHBondContact OG-N 3.01Å; S96-I174 PolarHBondContact OG-O 2.92Å
175R85.4Confident86.5Confident116 Ų11697.4 Ų97.444%0.43851%0.506SS..PPolyproline II helixtrans-83.9129.2178.2-64.9177.3179.4-88.3-7.7108.9E89 V92 D157E89-R175 IonicContact OE1-CZ 2.81Å; E89-R175 IonicContact OE1-NH1 3.38Å; E89-R175 PolarHBondContact OE1-NH1 3.05Å; E89-R175 IonicContact OE1-NH2 3.67Å; E89-R175 IonicContact OE2-CZ 3.48Å; E89-R175 IonicContact OE2-NH1 3.54Å; E89-R175 PolarHBondContact OE2-NH1 2.96Å; E89-R175 IonicContact OE2-NH2 3.67Å; E89-R175 PolarHBondContact OE2-NH2 3.37Å; V92-R175 HydrophobicContact CG1-CG 4.11Å; D157-R175 IonicContact OD2-CZ 3.28Å; D157-R175 IonicContact OD2-NE 3.8Å; D157-R175 IonicContact OD2-NH2 3.86Å; D157-R175 PolarHBondContact OD2-NH2 3.49Å
176P78.4Confident86.5Confident92 Ų9294.4 Ų94.460%0.59750%0.499SS*.PPolyproline II helixtrans-62.5134.3175.625.5-32000109.4N178P176-N178 PolarHBondContact O-N 3.4Å
177P73.4Confident86.5Confident82 Ų8296.7 Ų96.753%0.53251%0.511SS..PPolyproline II helixtrans-62.3126.2177.723.2-31.5000110Y179P177-Y179 HydrophobicContact CB-CE1 4.44Å; P177-Y179 HydrophobicContact CB-CE2 4.25Å; P177-Y179 HydrophobicContact CG-CD2 4.49Å; P177-Y179 HydrophobicContact CG-CE1 4.35Å; P177-Y179 HydrophobicContact CG-CE2 3.63Å; P177-Y179 WeakPolarHBondContact CG-OH 3.28Å; P177-Y179 WeakPolarHBondContact O-CD2 3.13Å; P177-Y179 PolarHBondContact O-N 3.01Å; P177-Y179 VanDerWaalsContact O-N 3.12Å
178N78.1Confident86.5Confident120 Ų12099.7 Ų99.764%0.64253%0.525SS*.  trans-77.597.1174.1-176.4-8.6000109.4P176 A180 P182P176-N178 PolarHBondContact O-N 3.4Å; N178-A180 VanDerWaalsContact C-N 3.3Å; N178-A180 PolarHBondContact O-N 3.49Å; N178-A180 VanDerWaalsContact OD1-CB 3.28Å; N178-A180 WeakPolarHBondContact OD1-CB 3.5Å; N178-A180 PolarHBondContact OD1-N 2.83Å; N178-P182 WeakPolarHBondContact O-CD 3.41Å
179Y78.9Confident86.6Confident174 Ų17497.5 Ų97.568%0.68251%0.513SS*.  trans-72.9-18.9177.5-64.2-74.5000113.8P177 G181 P182 L183P177-Y179 HydrophobicContact CB-CE1 4.44Å; P177-Y179 HydrophobicContact CB-CE2 4.25Å; P177-Y179 HydrophobicContact CG-CD2 4.49Å; P177-Y179 HydrophobicContact CG-CE1 4.35Å; P177-Y179 HydrophobicContact CG-CE2 3.63Å; P177-Y179 WeakPolarHBondContact CG-OH 3.28Å; P177-Y179 WeakPolarHBondContact O-CD2 3.13Å; P177-Y179 PolarHBondContact O-N 3.01Å; P177-Y179 VanDerWaalsContact O-N 3.12Å; Y179-G181 VanDerWaalsContact C-N 3.31Å; Y179-G181 PolarHBondContact O-N 2.96Å; Y179-P182 WeakPolarHBondContact O-CD 3.45Å; Y179-L183 WeakPolarHBondContact O-CB 3.04Å; Y179-L183 PolarHBondContact O-N 2.97Å
180A81.3Confident86.7Confident68 Ų6898.8 Ų98.856%0.56253%0.528SS*.Hα-helixtrans-64.4-37.7-178.300000111.7N178 L184N178-A180 VanDerWaalsContact C-N 3.3Å; N178-A180 PolarHBondContact O-N 3.49Å; N178-A180 VanDerWaalsContact OD1-CB 3.28Å; N178-A180 WeakPolarHBondContact OD1-CB 3.5Å; N178-A180 PolarHBondContact OD1-N 2.83Å; A180-L184 VanDerWaalsContact O-CB 3.23Å; A180-L184 WeakPolarHBondContact O-CB 2.97Å; A180-L184 PolarHBondContact O-N 3.1Å
181G81.6Confident86.7Confident39 Ų3993.8 Ų93.840%0.40251%0.509SS..Hα-helixtrans-62.6-59.4177.700000113Y179 L183 L184 L185Y179-G181 VanDerWaalsContact C-N 3.31Å; Y179-G181 PolarHBondContact O-N 2.96Å; G181-L183 VanDerWaalsContact C-N 3.29Å; G181-L183 PolarHBondContact O-N 3.49Å; G181-L184 PolarHBondContact O-N 2.84Å; G181-L185 WeakPolarHBondContact O-CB 3.28Å; G181-L185 PolarHBondContact O-N 3.1Å
182P86.2Confident86.5Confident86 Ų8697.7 Ų97.756%0.55853%0.529SS*.Hα-helixtrans-59-36.4176.3-26.235.1000113.7N178 Y179 L185 G186N178-P182 WeakPolarHBondContact O-CD 3.41Å; Y179-P182 WeakPolarHBondContact O-CD 3.45Å; P182-L185 PolarHBondContact O-N 2.81Å; P182-G186 PolarHBondContact O-N 3.17Å
183L88.6Confident86.3Confident127 Ų12789.6 Ų89.667%0.66551%0.51SS*.Hα-helixtrans-68.9-45178.7-163.7162.8000111.2Y179 G181 L185 G186 F187Y179-L183 WeakPolarHBondContact O-CB 3.04Å; Y179-L183 PolarHBondContact O-N 2.97Å; G181-L183 VanDerWaalsContact C-N 3.29Å; G181-L183 PolarHBondContact O-N 3.49Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 3.38Å; L183-G186 PolarHBondContact O-N 2.89Å; L183-F187 WeakPolarHBondContact O-CB 3.21Å; L183-F187 PolarHBondContact O-N 3.07Å
184L87.2Confident86.1Confident117 Ų11789.9 Ų89.961%0.61352%0.518SS*.Hα-helixtrans-62.7-41.3175.2-175.367.4000111.5A180 G181 F187 L188A180-L184 VanDerWaalsContact O-CB 3.23Å; A180-L184 WeakPolarHBondContact O-CB 2.97Å; A180-L184 PolarHBondContact O-N 3.1Å; G181-L184 PolarHBondContact O-N 2.84Å; L184-F187 PolarHBondContact O-N 3.45Å; L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 PolarHBondContact O-N 3.15Å
185L88.4Confident85.8Confident101 Ų10189.4 Ų89.453%0.52952%0.516SS..Hα-helixtrans-62.1-45.6174.1179.363.3000111.3G181 P182 L183 F187 L188 L189G181-L185 WeakPolarHBondContact O-CB 3.28Å; G181-L185 PolarHBondContact O-N 3.1Å; P182-L185 PolarHBondContact O-N 2.81Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 3.38Å; L185-F187 VanDerWaalsContact C-N 3.34Å; L185-F187 PolarHBondContact O-N 3.45Å; L185-L188 PolarHBondContact O-N 3.07Å; L185-L189 HydrophobicContact CD1-CD1 4.32Å; L185-L189 HydrophobicContact CD1-CG 4.37Å; L185-L189 HydrophobicContact CG-CD1 4.15Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 WeakPolarHBondContact O-CG 3.09Å; L185-L189 PolarHBondContact O-N 3.25Å
186G93Very high85.7Confident37 Ų3786.1 Ų86.138%0.38151%0.514SS..Hα-helixtrans-60.5-43176.300000112.3P182 L183 L189 A190P182-G186 PolarHBondContact O-N 3.17Å; L183-G186 PolarHBondContact O-N 2.89Å; G186-L189 PolarHBondContact O-N 3.26Å; G186-A190 WeakPolarHBondContact O-CB 3.5Å; G186-A190 PolarHBondContact O-N 3.01Å
187F92.9Very high85.9Confident132 Ų13290 Ų9058%0.57952%0.518SS*.Hα-helixtrans-62.8-45.1174.7-179.3-100.8000111.9L183 L184 L185 L189 A190 V191L183-F187 WeakPolarHBondContact O-CB 3.21Å; L183-F187 PolarHBondContact O-N 3.07Å; L184-F187 PolarHBondContact O-N 3.45Å; L185-F187 VanDerWaalsContact C-N 3.34Å; L185-F187 PolarHBondContact O-N 3.45Å; F187-L189 PolarHBondContact O-N 3.49Å; F187-A190 PolarHBondContact O-N 3.25Å; F187-V191 HydrophobicContact CD1-CG2 4.19Å; F187-V191 HydrophobicContact CE1-CG2 3.78Å; F187-V191 HydrophobicContact CE2-CG2 4.17Å; F187-V191 HydrophobicContact CZ-CG2 3.77Å; F187-V191 WeakPolarHBondContact O-CG2 3.21Å; F187-V191 PolarHBondContact O-N 3.29Å
188L91.8Very high86.3Confident92 Ų9293.1 Ų93.148%0.48253%0.529SS..Hα-helixtrans-60.8-45.2177.6-171.8118.7000111.4L184 L185 A190 V191 I192L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 PolarHBondContact O-N 3.15Å; L185-L188 PolarHBondContact O-N 3.07Å; L188-A190 VanDerWaalsContact C-N 3.35Å; L188-V191 PolarHBondContact O-N 3.29Å; L188-I192 HydrophobicContact CD2-CD1 3.6Å; L188-I192 HydrophobicContact CG-CD1 3.99Å; L188-I192 WeakPolarHBondContact O-CB 3.4Å; L188-I192 VanDerWaalsContact O-CG1 3.25Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 2.83Å
189L92.2Very high86.2Confident104 Ų10494.5 Ų94.555%0.54553%0.525SS..Hα-helixtrans-64.5-38.4175.8-70.3173000112.1L185 G186 F187 I192 G193L185-L189 HydrophobicContact CD1-CD1 4.32Å; L185-L189 HydrophobicContact CD1-CG 4.37Å; L185-L189 HydrophobicContact CG-CD1 4.15Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 WeakPolarHBondContact O-CG 3.09Å; L185-L189 PolarHBondContact O-N 3.25Å; G186-L189 PolarHBondContact O-N 3.26Å; F187-L189 PolarHBondContact O-N 3.49Å; L189-I192 PolarHBondContact O-N 3.3Å; L189-G193 PolarHBondContact O-N 2.96Å
190A92.6Very high85.8Confident65 Ų6594.6 Ų94.654%0.53752%0.524SS..Hα-helixtrans-65.9-39.6175.500000112.1G186 F187 L188 G194G186-A190 WeakPolarHBondContact O-CB 3.5Å; G186-A190 PolarHBondContact O-N 3.01Å; F187-A190 PolarHBondContact O-N 3.25Å; L188-A190 VanDerWaalsContact C-N 3.35Å; A190-G194 PolarHBondContact O-N 3.35Å
191V89.3Confident85.2Confident61 Ų6199.4 Ų99.437%0.3754%0.541SS..Hα-helixtrans-66.2-46.7175.1168.90000110.8F187 L188 G194 L195F187-V191 HydrophobicContact CD1-CG2 4.19Å; F187-V191 HydrophobicContact CE1-CG2 3.78Å; F187-V191 HydrophobicContact CE2-CG2 4.17Å; F187-V191 HydrophobicContact CZ-CG2 3.77Å; F187-V191 WeakPolarHBondContact O-CG2 3.21Å; F187-V191 PolarHBondContact O-N 3.29Å; L188-V191 PolarHBondContact O-N 3.29Å; V191-G194 PolarHBondContact O-N 3.5Å; V191-L195 HydrophobicContact CG1-CD1 3.76Å; V191-L195 WeakPolarHBondContact O-CB 3.43Å; V191-L195 PolarHBondContact O-N 3.39Å
192I87.1Confident84.5Confident94 Ų94101 Ų10148%0.48254%0.54SS..Hα-helixtrans-61.9-46.4177-68.4166.7000110.4L188 L189 L195 A196L188-I192 HydrophobicContact CD2-CD1 3.6Å; L188-I192 HydrophobicContact CG-CD1 3.99Å; L188-I192 WeakPolarHBondContact O-CB 3.4Å; L188-I192 VanDerWaalsContact O-CG1 3.25Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 2.83Å; L189-I192 PolarHBondContact O-N 3.3Å; I192-L195 PolarHBondContact O-N 3.33Å; I192-A196 WeakPolarHBondContact O-CB 3.23Å; I192-A196 PolarHBondContact O-N 2.84Å
193G86.8Confident83.8Confident39 Ų3999.8 Ų99.840%0.40253%0.528SS..Hα-helixtrans-63-41.517700000112.6L189 A196 Y197L189-G193 PolarHBondContact O-N 2.96Å; G193-A196 PolarHBondContact O-N 3.43Å; G193-Y197 WeakPolarHBondContact O-CB 3.41Å; G193-Y197 PolarHBondContact O-N 3.48Å
194G86.7Confident83Confident30 Ų30100.9 Ų100.931%0.30953%0.53SS..Hα-helixtrans-64.6-44.4175.600000112.6A190 V191 Y197 L198A190-G194 PolarHBondContact O-N 3.35Å; V191-G194 PolarHBondContact O-N 3.5Å; G194-Y197 PolarHBondContact O-N 2.94Å; G194-L198 WeakPolarHBondContact O-CB 3.34Å; G194-L198 VanDerWaalsContact O-CG 3.3Å; G194-L198 WeakPolarHBondContact O-CG 3.34Å; G194-L198 PolarHBondContact O-N 2.88Å
195L83.1Confident82.2Confident102 Ų102101.7 Ų101.753%0.53453%0.529SS..Hα-helixtrans-61.5-46.1173.4-88.1152.8000111.4V191 I192 Y197 L198 R199V191-L195 HydrophobicContact CG1-CD1 3.76Å; V191-L195 WeakPolarHBondContact O-CB 3.43Å; V191-L195 PolarHBondContact O-N 3.39Å; I192-L195 PolarHBondContact O-N 3.33Å; L195-Y197 VanDerWaalsContact C-N 3.32Å; L195-Y197 PolarHBondContact O-N 2.91Å; L195-L198 PolarHBondContact O-N 3.35Å; L195-R199 VanDerWaalsContact O-CB 3.27Å; L195-R199 WeakPolarHBondContact O-CB 3.37Å; L195-R199 PolarHBondContact O-N 3.48Å
196A82.2Confident81.5Confident47 Ų47100.8 Ų100.839%0.38852%0.524SS..Hα-helixtrans-63.1-37.4177.500000112.4I192 G193 R200I192-A196 WeakPolarHBondContact O-CB 3.23Å; I192-A196 PolarHBondContact O-N 2.84Å; G193-A196 PolarHBondContact O-N 3.43Å; A196-R200 WeakPolarHBondContact O-CA 3.33Å; A196-R200 PolarHBondContact O-N 2.89Å; A196-R200 VanDerWaalsContact O-N 3.13Å
197Y83.5Confident80.8Confident173 Ų173107 Ų10768%0.67854%0.541SS*.Hα-helixtrans-68.3-47.6175.9-177.9-98.6000112.2G193 G194 L195 R200G193-Y197 WeakPolarHBondContact O-CB 3.41Å; G193-Y197 PolarHBondContact O-N 3.48Å; G194-Y197 PolarHBondContact O-N 2.94Å; L195-Y197 VanDerWaalsContact C-N 3.32Å; L195-Y197 PolarHBondContact O-N 2.91Å; Y197-R200 WeakPolarHBondContact O-CB 3.49Å; Y197-R200 PolarHBondContact O-N 3.25Å
198L80.3Confident80.5Confident147 Ų147104 Ų10477%0.7753%0.531SS*.Hα-helixtrans-68.9-32.7179.6-69.4172.5000112.8G194 L195G194-L198 WeakPolarHBondContact O-CB 3.34Å; G194-L198 VanDerWaalsContact O-CG 3.3Å; G194-L198 WeakPolarHBondContact O-CG 3.34Å; G194-L198 PolarHBondContact O-N 2.88Å; L195-L198 PolarHBondContact O-N 3.35Å
199R76Confident80.3Confident150 Ų150108 Ų10857%0.56655%0.545SS*.THydrogen-bonded Turntrans-97.620.5177.3-73.5-86.4-172140.2-0.8113L195 N201 N202L195-R199 VanDerWaalsContact O-CB 3.27Å; L195-R199 WeakPolarHBondContact O-CB 3.37Å; L195-R199 PolarHBondContact O-N 3.48Å; R199-N201 PolarHBondContact O-N 2.91Å; R199-N202 PolarHBondContact NH1-ND2 3.26Å; R199-N202 CarbonylContact O-C 3.41Å; R199-N202 PolarHBondContact O-N 3.28Å
200R70.6Confident80.1Confident175 Ų175108.9 Ų108.966%0.6655%0.55SS**THydrogen-bonded Turntrans-52.5-31.3-176.3-174.6172.7-174.8164.21.7114.2A196 Y197A196-R200 WeakPolarHBondContact O-CA 3.33Å; A196-R200 PolarHBondContact O-N 2.89Å; A196-R200 VanDerWaalsContact O-N 3.13Å; Y197-R200 WeakPolarHBondContact O-CB 3.49Å; Y197-R200 PolarHBondContact O-N 3.25Å
201N68.6Low79.8Confident169 Ų169107 Ų10790%0.90453%0.532SS*.THydrogen-bonded Turntrans-88.3-7.2179-72.513.7000114.3R199R199-N201 PolarHBondContact O-N 2.91Å
202N68.7Low79.8Confident74 Ų74111.1 Ų111.140%0.39654%0.541SS..  trans-131.954.8-177.1-166.33.4000110.9R199 E204R199-N202 PolarHBondContact NH1-ND2 3.26Å; R199-N202 CarbonylContact O-C 3.41Å; R199-N202 PolarHBondContact O-N 3.28Å; N202-E204 PolarHBondContact O-N 3.25Å
203L69.6Low80Confident59 Ų59109.6 Ų109.631%0.30954%0.542SS..THydrogen-bonded Turntrans-84.110.7178.2-61.9171.6000113F205 L206 F207L203-F205 PolarHBondContact O-N 2.93Å; L203-F205 VanDerWaalsContact O-N 3.12Å; L203-L206 HydrophobicContact CB-CD1 4.42Å; L203-L206 HydrophobicContact CD2-CD1 3.77Å; L203-L206 WeakPolarHBondContact O-CB 3.34Å; L203-L206 PolarHBondContact O-N 3.32Å; L203-F207 HydrophobicContact CB-CE2 4.24Å; L203-F207 WeakPolarHBondContact O-CD2 3.45Å
204E72.4Confident80.1Confident151 Ų151114.2 Ų114.271%0.70655%0.551SS**Hα-helixtrans-56.2-31.6-178.6-64.6-176.2172.300112.7N202 L206 F207 N208N202-E204 PolarHBondContact O-N 3.25Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 3.25Å; E204-F207 PolarHBondContact O-N 3.28Å; E204-N208 PolarHBondContact O-N 2.92Å
205F70.1Confident80.3Confident134 Ų134115.6 Ų115.659%0.58856%0.556SS**Hα-helixtrans-59.1-37.4174177.1-97.5000113.3L203 F207 N208 V211L203-F205 PolarHBondContact O-N 2.93Å; L203-F205 VanDerWaalsContact O-N 3.12Å; F205-F207 VanDerWaalsContact C-N 3.31Å; F205-F207 PolarHBondContact O-N 3.27Å; F205-N208 PolarHBondContact O-N 3.46Å; F205-V211 HydrophobicContact CD1-CG1 4.23Å; F205-V211 HydrophobicContact CD2-CB 4.37Å; F205-V211 HydrophobicContact CD2-CG1 3.96Å; F205-V211 HydrophobicContact CD2-CG2 3.6Å; F205-V211 HydrophobicContact CE1-CG1 3.63Å; F205-V211 HydrophobicContact CE2-CB 4.03Å; F205-V211 HydrophobicContact CE2-CG1 3.31Å; F205-V211 HydrophobicContact CE2-CG2 3.46Å; F205-V211 VanDerWaalsContact CE2-CG2 3.46Å; F205-V211 HydrophobicContact CG-CG1 4.39Å; F205-V211 HydrophobicContact CG-CG2 4.45Å; F205-V211 HydrophobicContact CZ-CB 4.3Å; F205-V211 HydrophobicContact CZ-CG1 3.14Å; F205-V211 HydrophobicContact CZ-CG2 4.23Å
206L74.4Confident80.8Confident81 Ų81113.6 Ų113.642%0.42455%0.554SS.*Hα-helixtrans-73.2-24.1179.5-71171.4000112.6L203 E204 W212L203-L206 HydrophobicContact CB-CD1 4.42Å; L203-L206 HydrophobicContact CD2-CD1 3.77Å; L203-L206 WeakPolarHBondContact O-CB 3.34Å; L203-L206 PolarHBondContact O-N 3.32Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 3.25Å; L206-W212 HydrophobicContact CD2-CZ2 4.02Å; L206-W212 PolarHBondContact O-NE1 3.14Å
207F79.1Confident81.3Confident168 Ų168114.1 Ų114.174%0.73755%0.55SS**Hα-helixtrans-90.2-11177.1-64.4-74000112.7L203 E204 F205 K209L203-F207 HydrophobicContact CB-CE2 4.24Å; L203-F207 WeakPolarHBondContact O-CD2 3.45Å; E204-F207 PolarHBondContact O-N 3.28Å; F205-F207 VanDerWaalsContact C-N 3.31Å; F205-F207 PolarHBondContact O-N 3.27Å; F207-K209 PolarHBondContact O-N 3.18Å
208N85.4Confident81.7Confident70 Ų70108 Ų10837%0.37453%0.532SS..  trans-74110179.7-170.1-14.9000111.3E204 F205 N210 V211E204-N208 PolarHBondContact O-N 2.92Å; F205-N208 PolarHBondContact O-N 3.46Å; N208-N210 PolarHBondContact O-N 2.84Å; N208-N210 WeakPolarHBondContact OD1-CB 3.32Å; N208-N210 PolarHBondContact OD1-N 2.68Å; N208-V211 HydrophobicContact CB-CB 4.34Å; N208-V211 HydrophobicContact CB-CG2 3.91Å; N208-V211 WeakPolarHBondContact O-CB 3.44Å; N208-V211 PolarHBondContact O-N 3.19Å
209K87.9Confident82.3Confident176 Ų176107 Ų10777%0.76552%0.522SS*.Hα-helixtrans-59-31.6178.5-63.5-178.9-177.2176.70112.8F207 V211 W212 A213F207-K209 PolarHBondContact O-N 3.18Å; K209-V211 VanDerWaalsContact C-N 3.34Å; K209-V211 PolarHBondContact O-N 2.95Å; K209-W212 PolarHBondContact O-N 2.71Å; K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 3.4Å
210N87.2Confident83.2Confident122 Ų122102.1 Ų102.165%0.65251%0.514SS*.Hα-helixtrans-69.1-34.6-178.1-64.7-12.2000111.8N208 A213 F214N208-N210 PolarHBondContact O-N 2.84Å; N208-N210 WeakPolarHBondContact OD1-CB 3.32Å; N208-N210 PolarHBondContact OD1-N 2.68Å; N210-A213 PolarHBondContact O-N 3.45Å; N210-F214 VanDerWaalsContact O-CB 3.27Å; N210-F214 WeakPolarHBondContact O-CB 3.38Å; N210-F214 PolarHBondContact O-N 3.28Å
211V87.4Confident84.3Confident26 Ų2695 Ų9516%0.15849%0.488CS..Hα-helixtrans-63.7-46.3175.51680000110.5F205 N208 K209 F214 S215F205-V211 HydrophobicContact CD1-CG1 4.23Å; F205-V211 HydrophobicContact CD2-CB 4.37Å; F205-V211 HydrophobicContact CD2-CG1 3.96Å; F205-V211 HydrophobicContact CD2-CG2 3.6Å; F205-V211 HydrophobicContact CE1-CG1 3.63Å; F205-V211 HydrophobicContact CE2-CB 4.03Å; F205-V211 HydrophobicContact CE2-CG1 3.31Å; F205-V211 HydrophobicContact CE2-CG2 3.46Å; F205-V211 VanDerWaalsContact CE2-CG2 3.46Å; F205-V211 HydrophobicContact CG-CG1 4.39Å; F205-V211 HydrophobicContact CG-CG2 4.45Å; F205-V211 HydrophobicContact CZ-CB 4.3Å; F205-V211 HydrophobicContact CZ-CG1 3.14Å; F205-V211 HydrophobicContact CZ-CG2 4.23Å; N208-V211 HydrophobicContact CB-CB 4.34Å; N208-V211 HydrophobicContact CB-CG2 3.91Å; N208-V211 WeakPolarHBondContact O-CB 3.44Å; N208-V211 PolarHBondContact O-N 3.19Å; K209-V211 VanDerWaalsContact C-N 3.34Å; K209-V211 PolarHBondContact O-N 2.95Å; V211-F214 PolarHBondContact O-N 3.39Å; V211-S215 VanDerWaalsContact O-CB 3.32Å; V211-S215 WeakPolarHBondContact O-CB 3.45Å; V211-S215 PolarHBondContact O-N 3.34Å; V211-S215 PolarHBondContact O-OG 2.89Å
212W89.7Confident85.4Confident147 Ų14790.3 Ų90.356%0.55746%0.463SS*.Hα-helixtrans-66.6-42177.4-71105.8000112.1L206 K209 S215 A216L206-W212 HydrophobicContact CD2-CZ2 4.02Å; L206-W212 PolarHBondContact O-NE1 3.14Å; K209-W212 PolarHBondContact O-N 2.71Å; W212-S215 PolarHBondContact O-N 2.95Å; W212-A216 VanDerWaalsContact O-CB 3.27Å; W212-A216 WeakPolarHBondContact O-CB 3.12Å; W212-A216 PolarHBondContact O-N 2.78Å
213A89.8Confident86.4Confident61 Ų6190.8 Ų90.850%0.50446%0.464SS..Hα-helixtrans-60.3-46.7175.600000111.5K209 N210 A216 L217K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 3.4Å; N210-A213 PolarHBondContact O-N 3.45Å; A213-A216 PolarHBondContact O-N 2.74Å; A213-L217 WeakPolarHBondContact O-CB 3.3Å; A213-L217 PolarHBondContact O-N 3.16Å
214F90.4Very high87.4Confident137 Ų13792.7 Ų92.760%0.60148%0.478SS*.Hα-helixtrans-63-44.3176.1-177-99.2000111.9N210 V211 L217 C218N210-F214 VanDerWaalsContact O-CB 3.27Å; N210-F214 WeakPolarHBondContact O-CB 3.38Å; N210-F214 PolarHBondContact O-N 3.28Å; V211-F214 PolarHBondContact O-N 3.39Å; F214-L217 WeakPolarHBondContact O-CB 3.49Å; F214-L217 PolarHBondContact O-N 3Å; F214-C218 VanDerWaalsContact CE1-SG 3.58Å; F214-C218 PolarHBondContact O-N 3.34Å; F214-C218 PolarHBondContact O-SG 3.05Å; F214-C218 VanDerWaalsContact O-SG 3.41Å
215S89.9Confident88.3Confident58 Ų5885.7 Ų85.741%0.40645%0.446SS..Hα-helixtrans-64.6-42.9179.7-57.30000112.1V211 W212 L217 C218 F219V211-S215 VanDerWaalsContact O-CB 3.32Å; V211-S215 WeakPolarHBondContact O-CB 3.45Å; V211-S215 PolarHBondContact O-N 3.34Å; V211-S215 PolarHBondContact O-OG 2.89Å; W212-S215 PolarHBondContact O-N 2.95Å; S215-L217 VanDerWaalsContact C-N 3.33Å; S215-C218 PolarHBondContact O-N 2.74Å; S215-F219 WeakPolarHBondContact O-CB 3.47Å; S215-F219 PolarHBondContact O-N 3.48Å
216A93.4Very high89.2Confident60 Ų6080.2 Ų80.250%0.49643%0.427SS..Hα-helixtrans-63-40.6175.200000111.5W212 A213 F219 A220W212-A216 VanDerWaalsContact O-CB 3.27Å; W212-A216 WeakPolarHBondContact O-CB 3.12Å; W212-A216 PolarHBondContact O-N 2.78Å; A213-A216 PolarHBondContact O-N 2.74Å; A216-F219 PolarHBondContact O-N 2.84Å; A216-A220 WeakPolarHBondContact O-CB 3.32Å; A216-A220 PolarHBondContact O-N 3.4Å
217L93.2Very high89.9Confident59 Ų5978.7 Ų78.731%0.30942%0.417SS..Hα-helixtrans-62.7-48.6175.4-179.367000111.6A213 F214 S215 F219 A220 L221 T273 I277A213-L217 WeakPolarHBondContact O-CB 3.3Å; A213-L217 PolarHBondContact O-N 3.16Å; F214-L217 WeakPolarHBondContact O-CB 3.49Å; F214-L217 PolarHBondContact O-N 3Å; S215-L217 VanDerWaalsContact C-N 3.33Å; L217-F219 VanDerWaalsContact C-N 3.3Å; L217-F219 PolarHBondContact O-N 2.95Å; L217-A220 PolarHBondContact O-N 3.44Å; L217-L221 HydrophobicContact CD1-CD1 4.44Å; L217-L221 HydrophobicContact CD1-CG 4.46Å; L217-L221 HydrophobicContact CG-CD1 4.14Å; L217-L221 WeakPolarHBondContact O-CG 3.21Å; L217-L221 PolarHBondContact O-N 3.47Å; L217-T273 HydrophobicContact CD1-CG2 3.66Å; L217-T273 HydrophobicContact CD2-CG2 4.25Å; L217-I277 HydrophobicContact CD2-CD1 4.08Å
218C92.3Very high90.3Very high44 Ų4475.8 Ų75.830%0.29741%0.408SS..Hα-helixtrans-57.6-43.7176-72.30000111.9F214 S215 L221 I222F214-C218 VanDerWaalsContact CE1-SG 3.58Å; F214-C218 PolarHBondContact O-N 3.34Å; F214-C218 PolarHBondContact O-SG 3.05Å; F214-C218 VanDerWaalsContact O-SG 3.41Å; S215-C218 PolarHBondContact O-N 2.74Å; C218-L221 PolarHBondContact O-N 3.48Å; C218-I222 VanDerWaalsContact O-CG1 3.28Å; C218-I222 WeakPolarHBondContact O-CG1 3.43Å; C218-I222 PolarHBondContact O-N 2.97Å
219F92.8Very high90.4Very high127 Ų12775.9 Ų75.956%0.55740%0.403SS*.Hα-helixtrans-61.7-46.7177.1-179.3-98.3000112S215 A216 L217 L221 I222 M223S215-F219 WeakPolarHBondContact O-CB 3.47Å; S215-F219 PolarHBondContact O-N 3.48Å; A216-F219 PolarHBondContact O-N 2.84Å; L217-F219 VanDerWaalsContact C-N 3.3Å; L217-F219 PolarHBondContact O-N 2.95Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.96Å; F219-I222 PolarHBondContact O-N 3.3Å; F219-M223 HydrophobicContact CD1-CG 4.26Å; F219-M223 HydrophobicContact CD2-CE 4.14Å; F219-M223 HydrophobicContact CD2-CG 4.44Å; F219-M223 HydrophobicContact CE1-CG 3.87Å; F219-M223 HydrophobicContact CE2-CE 3.4Å; F219-M223 HydrophobicContact CE2-CG 4.08Å; F219-M223 HydrophobicContact CZ-CE 3.74Å; F219-M223 HydrophobicContact CZ-CG 3.77Å; F219-M223 HydrophobicContact CZ-SD 4.39Å; F219-M223 WeakPolarHBondContact O-CG 3.47Å; F219-M223 PolarHBondContact O-N 2.95Å
220A93.7Very high90.4Very high47 Ų4768 Ų6839%0.38837%0.369SS..Hα-helixtrans-60.6-43177.500000112A216 L217 M223 T224A216-A220 WeakPolarHBondContact O-CB 3.32Å; A216-A220 PolarHBondContact O-N 3.4Å; L217-A220 PolarHBondContact O-N 3.44Å; A220-M223 PolarHBondContact O-N 2.92Å; A220-T224 WeakPolarHBondContact O-CB 3.39Å; A220-T224 VanDerWaalsContact O-CG2 3.29Å; A220-T224 WeakPolarHBondContact O-CG2 3.37Å; A220-T224 PolarHBondContact O-N 3.37Å; A220-T224 PolarHBondContact O-OG1 2.99Å
221L93.7Very high90.1Very high25 Ų2569.8 Ų69.813%0.13137%0.373CS..Hα-helixtrans-62.7-44.5176.8-72.2173.6000111.9L217 C218 F219 M223 T224 S225 L266 N269L217-L221 HydrophobicContact CD1-CD1 4.44Å; L217-L221 HydrophobicContact CD1-CG 4.46Å; L217-L221 HydrophobicContact CG-CD1 4.14Å; L217-L221 WeakPolarHBondContact O-CG 3.21Å; L217-L221 PolarHBondContact O-N 3.47Å; C218-L221 PolarHBondContact O-N 3.48Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.96Å; L221-M223 PolarHBondContact O-N 3.25Å; L221-T224 WeakPolarHBondContact CA-OG1 3.35Å; L221-T224 PolarHBondContact O-N 3.39Å; L221-T224 PolarHBondContact O-OG1 2.91Å; L221-S225 WeakPolarHBondContact O-CB 3.06Å; L221-S225 PolarHBondContact O-N 3.48Å; L221-S225 PolarHBondContact O-OG 3.47Å; L221-L266 HydrophobicContact CB-CD1 3.62Å; L221-L266 WeakPolarHBondContact O-CD1 3.39Å; L221-N269 HydrophobicContact CD2-CB 3.9Å
222I91.7Very high89.7Confident71 Ų7174.2 Ų74.236%0.36440%0.395SS..Hα-helixtrans-60.1-47.4176.3-71.8168000110.5C218 F219 S225 Q227 L266C218-I222 VanDerWaalsContact O-CG1 3.28Å; C218-I222 WeakPolarHBondContact O-CG1 3.43Å; C218-I222 PolarHBondContact O-N 2.97Å; F219-I222 PolarHBondContact O-N 3.3Å; I222-S225 PolarHBondContact O-N 3.33Å; I222-S225 PolarHBondContact O-OG 2.87Å; I222-Q227 HydrophobicContact CG2-CB 4.09Å; I222-Q227 HydrophobicContact CG2-CG 4.1Å; I222-L266 HydrophobicContact CG1-CD1 4.26Å; I222-L266 HydrophobicContact CG1-CD2 4.45Å
223M90.7Very high89.1Confident84 Ų8474.2 Ų74.241%0.41440%0.395SS..Hα-helixtrans-69.2-35.5-176.8-68.4-59.3160.600113F219 A220 L221F219-M223 HydrophobicContact CD1-CG 4.26Å; F219-M223 HydrophobicContact CD2-CE 4.14Å; F219-M223 HydrophobicContact CD2-CG 4.44Å; F219-M223 HydrophobicContact CE1-CG 3.87Å; F219-M223 HydrophobicContact CE2-CE 3.4Å; F219-M223 HydrophobicContact CE2-CG 4.08Å; F219-M223 HydrophobicContact CZ-CE 3.74Å; F219-M223 HydrophobicContact CZ-CG 3.77Å; F219-M223 HydrophobicContact CZ-SD 4.39Å; F219-M223 WeakPolarHBondContact O-CG 3.47Å; F219-M223 PolarHBondContact O-N 2.95Å; A220-M223 PolarHBondContact O-N 2.92Å; L221-M223 PolarHBondContact O-N 3.25Å
224T90.9Very high88.6Confident99 Ų9974.2 Ų74.261%0.60740%0.401SS*.Hα-helixtrans-78.1-20.1177.952.40000113.8A220 L221 G226A220-T224 WeakPolarHBondContact O-CB 3.39Å; A220-T224 VanDerWaalsContact O-CG2 3.29Å; A220-T224 WeakPolarHBondContact O-CG2 3.37Å; A220-T224 PolarHBondContact O-N 3.37Å; A220-T224 PolarHBondContact O-OG1 2.99Å; L221-T224 WeakPolarHBondContact CA-OG1 3.35Å; L221-T224 PolarHBondContact O-N 3.39Å; L221-T224 PolarHBondContact O-OG1 2.91Å; T224-G226 VanDerWaalsContact C-N 3.27Å; T224-G226 PolarHBondContact O-N 3.38Å
225S90.4Very high88.3Confident4 Ų468.9 Ų68.93%0.02838%0.379CS..THydrogen-bonded Turntrans-73.4-11.5179.569.30000115.2L221 I222 T262L221-S225 WeakPolarHBondContact O-CB 3.06Å; L221-S225 PolarHBondContact O-N 3.48Å; L221-S225 PolarHBondContact O-OG 3.47Å; I222-S225 PolarHBondContact O-N 3.33Å; I222-S225 PolarHBondContact O-OG 2.87Å; S225-T262 WeakPolarHBondContact O-CG2 3.32Å
226G88.3Confident87.9Confident19 Ų1969.8 Ų69.820%0.19638%0.384CS..THydrogen-bonded Turntrans98.910.8-177.900000115T224 M228 W229 N230T224-G226 VanDerWaalsContact C-N 3.27Å; T224-G226 PolarHBondContact O-N 3.38Å; G226-M228 VanDerWaalsContact C-N 3.27Å; G226-M228 PolarHBondContact O-N 3.22Å; G226-W229 WeakPolarHBondContact O-CB 3.29Å; G226-W229 PolarHBondContact O-N 2.79Å; G226-W229 VanDerWaalsContact O-N 3.07Å; G226-N230 PolarHBondContact O-N 2.81Å
227Q89.7Confident87.4Confident48 Ų4873.3 Ų73.322%0.22439%0.385CS..Hα-helixtrans-60-32.6-178.8-77-66.2-800114.1I222 W229 N230 H231 T262I222-Q227 HydrophobicContact CG2-CB 4.09Å; I222-Q227 HydrophobicContact CG2-CG 4.1Å; Q227-W229 VanDerWaalsContact C-N 3.32Å; Q227-W229 PolarHBondContact O-N 3.5Å; Q227-N230 WeakPolarHBondContact O-CB 3.47Å; Q227-N230 PolarHBondContact O-N 3.47Å; Q227-H231 PolarHBondContact O-N 3.12Å; Q227-T262 PolarHBondContact NE2-OG1 3.47Å
228M88.1Confident86.8Confident108 Ų10871.8 Ų71.853%0.53238%0.382SS..Hα-helixtrans-64.9-37.5176-171.564.1104.700111.9G226 N230 H231 I232G226-M228 VanDerWaalsContact C-N 3.27Å; G226-M228 PolarHBondContact O-N 3.22Å; M228-N230 VanDerWaalsContact C-N 3.34Å; M228-H231 PolarHBondContact O-N 3.19Å; M228-I232 HydrophobicContact CG-CD1 4.03Å; M228-I232 WeakPolarHBondContact O-CG1 3.2Å; M228-I232 PolarHBondContact O-N 3.41Å
229W87.3Confident86.1Confident71 Ų7173.9 Ų73.927%0.26939%0.387SS..Hα-helixtrans-64-42.6176.2-173.698.4000110.9G226 Q227 H231 I232 R233 P235 A256 Q257G226-W229 WeakPolarHBondContact O-CB 3.29Å; G226-W229 PolarHBondContact O-N 2.79Å; G226-W229 VanDerWaalsContact O-N 3.07Å; Q227-W229 VanDerWaalsContact C-N 3.32Å; Q227-W229 PolarHBondContact O-N 3.5Å; W229-H231 PolarHBondContact O-N 3.14Å; W229-I232 PolarHBondContact O-N 3.42Å; W229-R233 PolarHBondContact O-N 3.44Å; W229-P235 HydrophobicContact CE3-CG 4.38Å; W229-P235 HydrophobicContact CZ3-CB 3.99Å; W229-P235 HydrophobicContact CZ3-CG 3.75Å; W229-A256 HydrophobicContact CH2-CB 4.36Å; W229-Q257 HydrophobicContact CE3-CB 3.98Å; W229-Q257 HydrophobicContact CH2-CB 4.17Å; W229-Q257 VanDerWaalsContact CH2-N 3.35Å; W229-Q257 HydrophobicContact CZ3-CB 3.71Å; W229-Q257 VanDerWaalsContact CZ3-O 3.28Å; W229-Q257 WeakPolarHBondContact CZ3-O 3.35Å
230N87.7Confident85.2Confident10 Ų1074.8 Ų74.85%0.05339%0.391CS..Hα-helixtrans-60.9-43.9174.3-71.9-7.1000112G226 Q227 M228 I232 G234 P235 T262G226-N230 PolarHBondContact O-N 2.81Å; Q227-N230 WeakPolarHBondContact O-CB 3.47Å; Q227-N230 PolarHBondContact O-N 3.47Å; M228-N230 VanDerWaalsContact C-N 3.34Å; N230-I232 VanDerWaalsContact C-N 3.33Å; N230-I232 PolarHBondContact O-N 3.01Å; N230-G234 WeakPolarHBondContact O-CA 3.48Å; N230-G234 PolarHBondContact O-N 3.26Å; N230-P235 HydrophobicContact CB-CG 4.37Å; N230-P235 WeakPolarHBondContact O-CD 3.27Å; N230-T262 WeakPolarHBondContact ND2-CG2 3.42Å; N230-T262 PolarHBondContact ND2-OG1 2.86Å
231H82Confident84.2Confident160 Ų16075.8 Ų75.874%0.74139%0.389SS*.Hα-helixtrans-62.3-40.1179.5-179-87.7000112.1Q227 M228 W229Q227-H231 PolarHBondContact O-N 3.12Å; M228-H231 PolarHBondContact O-N 3.19Å; W229-H231 PolarHBondContact O-N 3.14Å
232I78.3Confident82.7Confident120 Ų12080 Ų8062%0.61542%0.418SS*.Hα-helixtrans-73.2-44.2-179-66.4167.4000111.7M228 W229 N230M228-I232 HydrophobicContact CG-CD1 4.03Å; M228-I232 WeakPolarHBondContact O-CG1 3.2Å; M228-I232 PolarHBondContact O-N 3.41Å; W229-I232 PolarHBondContact O-N 3.42Å; N230-I232 VanDerWaalsContact C-N 3.33Å; N230-I232 PolarHBondContact O-N 3.01Å
233R76.4Confident81.5Confident147 Ų14783.8 Ų83.856%0.55544%0.439SS*.Hα-helixtrans-97.3-19.2-170.9-68.5-165177.3-173.6-0.3114.9W229W229-R233 PolarHBondContact O-N 3.44Å
234G79.6Confident80.6Confident61 Ų6183.7 Ų83.763%0.62944%0.443SS*.  trans57.250.6179.900000114.6N230N230-G234 WeakPolarHBondContact O-CA 3.48Å; N230-G234 PolarHBondContact O-N 3.26Å
235P83.7Confident79.7Confident24 Ų2481.7 Ų81.716%0.15644%0.443CS..  trans-64.7158.4178.134.3-40.7000111.6W229 N230 Q257 V259W229-P235 HydrophobicContact CE3-CG 4.38Å; W229-P235 HydrophobicContact CZ3-CB 3.99Å; W229-P235 HydrophobicContact CZ3-CG 3.75Å; N230-P235 HydrophobicContact CB-CG 4.37Å; N230-P235 WeakPolarHBondContact O-CD 3.27Å; P235-Q257 WeakPolarHBondContact CB-O 3.44Å; P235-Q257 WeakPolarHBondContact CG-O 3.03Å; P235-V259 HydrophobicContact CG-CG2 3.95Å
236P81.8Confident78.7Confident77 Ų7788.4 Ų88.450%0.547%0.473SS..  trans-65.3157171.728.8-34.3000111.8F258 V259P236-F258 HydrophobicContact CG-CD1 4.16Å; P236-F258 HydrophobicContact CG-CE1 4.06Å; P236-V259 PolarHBondContact O-N 3.02Å
237Y82.3Confident78Confident134 Ų13490 Ų9053%0.52548%0.48SS..SBendtrans-67.9-41.6-177.7-173.7-90.9000113.5V259 A260Y237-V259 HydrophobicContact CD2-CB 3.75Å; Y237-V259 HydrophobicContact CD2-CG1 3.88Å; Y237-V259 HydrophobicContact CE2-CB 4.38Å; Y237-V259 HydrophobicContact CE2-CG1 4.19Å; Y237-V259 HydrophobicContact CG-CB 4.45Å; Y237-A260 HydrophobicContact CD1-CB 4.25Å; Y237-A260 HydrophobicContact CE1-CB 3.85Å; Y237-A260 WeakPolarHBondContact O-CB 3.46Å; Y237-A260 PolarHBondContact O-N 3.31Å
238A82.2Confident77.5Confident28 Ų2890.6 Ų90.623%0.23149%0.488CS..  trans-154.6159174.800000109.1V247 Y249A238-V247 HydrophobicContact CB-CG1 3.69Å; A238-Y249 HydrophobicContact CB-CD1 4.09Å; A238-Y249 HydrophobicContact CB-CE1 4.35Å
239H76.6Confident77.2Confident87 Ų8791.3 Ų91.340%0.40349%0.486SS..EExtended strand (participates in β ladder)trans-113.8131.7177.4-166.979.4000110.5S248 F258H239-S248 PolarHBondContact N-O 2.84Å; H239-S248 PolarHBondContact O-N 3.24Å; H239-F258 HydrophobicContact CB-CE1 3.79Å; H239-F258 HydrophobicContact CB-CE2 4.11Å; H239-F258 HydrophobicContact CB-CZ 3.34Å
240K74.8Confident77Confident147 Ų14790.4 Ų90.464%0.63949%0.486SS*.EExtended strand (participates in β ladder)trans-91.6123.8174.1-67.9-173.2-177.6-176.60108.4P242 V247K240-P242 VanDerWaalsContact O-CD 3.3Å; K240-P242 WeakPolarHBondContact O-CD 3.48Å; K240-V247 HydrophobicContact CD-CG2 4.41Å; K240-V247 HydrophobicContact CG-CG2 3.95Å
241N71.3Confident76.7Confident68 Ų6892.5 Ų92.536%0.36450%0.495SS..  trans-67119.6174.9-172.9-24.5000109N243 T244 G245 Q246N241-N243 PolarHBondContact O-N 2.91Å; N241-N243 PolarHBondContact OD1-N 2.98Å; N241-N243 VanDerWaalsContact OD1-N 3.12Å; N241-T244 WeakPolarHBondContact CB-OG1 3.34Å; N241-T244 PolarHBondContact ND2-OG1 3.31Å; N241-T244 PolarHBondContact O-N 3.45Å; N241-G245 WeakPolarHBondContact O-CA 3.25Å; N241-G245 PolarHBondContact O-N 2.97Å; N241-Q246 PolarHBondContact N-O 3.46Å
242P64.1Low76.5Confident113 Ų11387.8 Ų87.873%0.73449%0.49SS*.THydrogen-bonded Turntrans-60.9-27-176.7-22.632.8000113.8K240K240-P242 VanDerWaalsContact O-CD 3.3Å; K240-P242 WeakPolarHBondContact O-CD 3.48Å
243N66.6Low76.6Confident150 Ų15084.2 Ų84.280%0.80248%0.476SS*.THydrogen-bonded Turntrans-92.7-27.9-173-63.7-23.4000113.2N241N241-N243 PolarHBondContact O-N 2.91Å; N241-N243 PolarHBondContact OD1-N 2.98Å; N241-N243 VanDerWaalsContact OD1-N 3.12Å
244T70.7Confident76.6Confident83 Ų8380.3 Ų80.351%0.50947%0.471SS..THydrogen-bonded Turntrans-114.9-9.1-176.261.70000113.7N241 Q246N241-T244 WeakPolarHBondContact CB-OG1 3.34Å; N241-T244 PolarHBondContact ND2-OG1 3.31Å; N241-T244 PolarHBondContact O-N 3.45Å; T244-Q246 PolarHBondContact O-N 2.99Å
245G72.1Confident76.5Confident57 Ų5784.6 Ų84.659%0.58848%0.475SS*.  trans67.6-3.1-178.600000114.8N241N241-G245 WeakPolarHBondContact O-CA 3.25Å; N241-G245 PolarHBondContact O-N 2.97Å
246Q69.8Low76.3Confident144 Ų14484.7 Ų84.767%0.67348%0.478SS*.  trans-76.6137.1-179.8-67.8-176.3-12.800110.9N241 T244N241-Q246 PolarHBondContact N-O 3.46Å; T244-Q246 PolarHBondContact O-N 2.99Å
247V73.5Confident76.4Confident54 Ų5482.7 Ų82.733%0.32746%0.462SS..EExtended strand (participates in β ladder)trans-82.5114.1176.2-177.60000108.1A238 K240 Y249A238-V247 HydrophobicContact CB-CG1 3.69Å; K240-V247 HydrophobicContact CD-CG2 4.41Å; K240-V247 HydrophobicContact CG-CG2 3.95Å; V247-Y249 HydrophobicContact CB-CE2 4.26Å; V247-Y249 HydrophobicContact CG1-CD1 4.27Å; V247-Y249 HydrophobicContact CG1-CD2 4.46Å; V247-Y249 HydrophobicContact CG1-CE1 3.82Å; V247-Y249 HydrophobicContact CG1-CE2 4.03Å
248S79Confident76.7Confident59 Ų5977 Ų7741%0.41344%0.44SS..EExtended strand (participates in β ladder)trans-87.9118.6169.3-163.30000109.6H239 I250H239-S248 PolarHBondContact N-O 2.84Å; H239-S248 PolarHBondContact O-N 3.24Å; S248-I250 PolarHBondContact OG-O 3.06Å
249Y82.2Confident77Confident124 Ų12477.1 Ų77.149%0.48644%0.437SS..SBendtrans-86.5-12.3175.1-62.8-78.3000112.8A238 V247 A260 E261A238-Y249 HydrophobicContact CB-CD1 4.09Å; A238-Y249 HydrophobicContact CB-CE1 4.35Å; V247-Y249 HydrophobicContact CB-CE2 4.26Å; V247-Y249 HydrophobicContact CG1-CD1 4.27Å; V247-Y249 HydrophobicContact CG1-CD2 4.46Å; V247-Y249 HydrophobicContact CG1-CE1 3.82Å; V247-Y249 HydrophobicContact CG1-CE2 4.03Å; Y249-A260 HydrophobicContact CD1-CB 3.94Å; Y249-E261 WeakPolarHBondContact O-CG 3.32Å
250I82.9Confident77.5Confident52 Ų5273.1 Ų73.127%0.26742%0.42SS..SBendtrans-120.2134.4178.6-57.6166.2000109.2S248 E261 I313S248-I250 PolarHBondContact OG-O 3.06Å; I250-E261 HydrophobicContact CB-CG 4.28Å; I250-E261 HydrophobicContact CG1-CG 4.16Å; I250-E261 HydrophobicContact CG2-CG 4.34Å; I250-I313 HydrophobicContact CD1-CG1 4.33Å; I250-I313 HydrophobicContact CD1-CG2 4.09Å
251H81.7Confident78.2Confident53 Ų5366.7 Ų66.725%0.24539%0.392CS..  trans-82.9128178.7-165.7-74.5000109.7S253 F258 E261H251-S253 PolarHBondContact CE1-OG 3.22Å; H251-S253 PolarHBondContact ND1-N 3.46Å; H251-S253 PolarHBondContact ND1-OG 2.89Å; H251-S253 VanDerWaalsContact ND1-OG 3.15Å; H251-S253 PolarHBondContact O-N 3.25Å; H251-F258 VanDerWaalsContact CA-CE2 3.45Å; H251-F258 HydrophobicContact CB-CD2 3.73Å; H251-F258 HydrophobicContact CB-CE2 3.59Å; H251-F258 HydrophobicContact CB-CG 4.31Å; H251-F258 HydrophobicContact CB-CZ 4.05Å; H251-F258 AromaticContact CD2-CE1 3.67Å; H251-F258 AromaticContact CD2-CE2 3.86Å; H251-F258 AromaticContact CD2-CZ 3.37Å; H251-F258 WeakPolarHBondContact CD2-CZ 3.37Å; H251-E261 WeakPolarHBondContact CA-OE1 3.5Å; H251-E261 WeakPolarHBondContact CB-OE1 3.23Å; H251-E261 PolarHBondContact N-OE1 2.92Å
252G77.7Confident79.2Confident62 Ų6263.4 Ų63.464%0.63938%0.375SS*.SBendtrans-75.62.7-176.100000115.9
253S79.4Confident80.5Confident44 Ų4462 Ų6231%0.30836%0.358SS..SBendtrans-114.6144.3176.194.60000111.1H251 Q255 A256 K317H251-S253 PolarHBondContact CE1-OG 3.22Å; H251-S253 PolarHBondContact ND1-N 3.46Å; H251-S253 PolarHBondContact ND1-OG 2.89Å; H251-S253 VanDerWaalsContact ND1-OG 3.15Å; H251-S253 PolarHBondContact O-N 3.25Å; S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact O-N 3.38Å; S253-A256 VanDerWaalsContact O-O 3.09Å; S253-A256 PolarHBondContact OG-N 3.33Å; S253-K317 WeakPolarHBondContact O-CE 3.12Å
254S77Confident81.7Confident65 Ų6557.4 Ų57.446%0.45533%0.333SS..THydrogen-bonded Turntrans-71.3-18.4177.258.80000114.2
255Q76.8Confident82.7Confident151 Ų15155.3 Ų55.371%0.70632%0.32SS*.THydrogen-bonded Turntrans-89.4-8.5-175.1-65.7-68.5-20.200113.7S253S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact O-N 3.38Å
256A80Confident83.7Confident27 Ų2754.7 Ų54.722%0.22330%0.303CS..  trans-136.1158-178.800000111.5W229 S253 K317W229-A256 HydrophobicContact CH2-CB 4.36Å; S253-A256 VanDerWaalsContact O-O 3.09Å; S253-A256 PolarHBondContact OG-N 3.33Å; A256-K317 WeakPolarHBondContact O-CE 2.96Å; A256-K317 PolarHBondContact O-NZ 3.15Å
257Q84.3Confident84.9Confident35 Ų3553.3 Ų53.316%0.16430%0.299CS..  trans-145.9142.7-174.6179.5166.57.900109.4W229 P235 E261 T262W229-Q257 HydrophobicContact CE3-CB 3.98Å; W229-Q257 HydrophobicContact CH2-CB 4.17Å; W229-Q257 VanDerWaalsContact CH2-N 3.35Å; W229-Q257 HydrophobicContact CZ3-CB 3.71Å; W229-Q257 VanDerWaalsContact CZ3-O 3.28Å; W229-Q257 WeakPolarHBondContact CZ3-O 3.35Å; P235-Q257 WeakPolarHBondContact CB-O 3.44Å; P235-Q257 WeakPolarHBondContact CG-O 3.03Å; Q257-E261 HydrophobicContact CG-CB 3.94Å; Q257-T262 HydrophobicContact CG-CG2 4.35Å
258F87.9Confident85.8Confident14 Ų1451.9 Ų51.96%0.06129%0.289CS..  trans-90.3157.8169.6-63.8-52.3000112.2P236 H239 H251 A260 E261P236-F258 HydrophobicContact CG-CD1 4.16Å; P236-F258 HydrophobicContact CG-CE1 4.06Å; H239-F258 HydrophobicContact CB-CE1 3.79Å; H239-F258 HydrophobicContact CB-CE2 4.11Å; H239-F258 HydrophobicContact CB-CZ 3.34Å; H251-F258 VanDerWaalsContact CA-CE2 3.45Å; H251-F258 HydrophobicContact CB-CD2 3.73Å; H251-F258 HydrophobicContact CB-CE2 3.59Å; H251-F258 HydrophobicContact CB-CG 4.31Å; H251-F258 HydrophobicContact CB-CZ 4.05Å; H251-F258 AromaticContact CD2-CE1 3.67Å; H251-F258 AromaticContact CD2-CE2 3.86Å; H251-F258 AromaticContact CD2-CZ 3.37Å; H251-F258 WeakPolarHBondContact CD2-CZ 3.37Å; F258-A260 VanDerWaalsContact C-N 3.28Å; F258-A260 PolarHBondContact O-N 3.3Å; F258-E261 HydrophobicContact CB-CG 4.23Å; F258-E261 WeakPolarHBondContact CD2-OE1 3.35Å; F258-E261 PolarHBondContact N-OE1 3.48Å; F258-E261 WeakPolarHBondContact O-CB 3.37Å; F258-E261 PolarHBondContact O-N 3.45Å; F258-E261 VanDerWaalsContact O-N 3.14Å
259V88.5Confident86.5Confident30 Ų3051.2 Ų51.218%0.18228%0.281CS..Hα-helixtrans-64.5-34.3175.8-173.40000111.5P235 P236 Y237 E261 T262 H263P235-V259 HydrophobicContact CG-CG2 3.95Å; P236-V259 PolarHBondContact O-N 3.02Å; Y237-V259 HydrophobicContact CD2-CB 3.75Å; Y237-V259 HydrophobicContact CD2-CG1 3.88Å; Y237-V259 HydrophobicContact CE2-CB 4.38Å; Y237-V259 HydrophobicContact CE2-CG1 4.19Å; Y237-V259 HydrophobicContact CG-CB 4.45Å; V259-E261 VanDerWaalsContact C-N 3.26Å; V259-E261 PolarHBondContact O-N 3.42Å; V259-T262 PolarHBondContact O-N 3.01Å; V259-T262 PolarHBondContact O-OG1 3.38Å; V259-H263 PolarHBondContact O-CD2 3.16Å
260A88.3Confident87.1Confident4 Ų446.4 Ų46.43%0.03327%0.268CS..Hα-helixtrans-59.5-36.5173.900000112.6Y237 Y249 F258 T262 H263 I264Y237-A260 HydrophobicContact CD1-CB 4.25Å; Y237-A260 HydrophobicContact CE1-CB 3.85Å; Y237-A260 WeakPolarHBondContact O-CB 3.46Å; Y237-A260 PolarHBondContact O-N 3.31Å; Y249-A260 HydrophobicContact CD1-CB 3.94Å; F258-A260 VanDerWaalsContact C-N 3.28Å; F258-A260 PolarHBondContact O-N 3.3Å; A260-T262 PolarHBondContact O-N 3.19Å; A260-H263 PolarHBondContact O-N 2.74Å; A260-I264 WeakPolarHBondContact O-CG1 3.43Å; A260-I264 PolarHBondContact O-N 3.46Å; A260-I264 VanDerWaalsContact O-N 3.15Å
261E89.5Confident87.6Confident11 Ų1145 Ų455%0.05127%0.265CS..Hα-helixtrans-62.9-41.5179.7-67.4174.9-129.800112.5Y249 I250 H251 Q257 F258 V259 H263 I264 V265 K317Y249-E261 WeakPolarHBondContact O-CG 3.32Å; I250-E261 HydrophobicContact CB-CG 4.28Å; I250-E261 HydrophobicContact CG1-CG 4.16Å; I250-E261 HydrophobicContact CG2-CG 4.34Å; H251-E261 WeakPolarHBondContact CA-OE1 3.5Å; H251-E261 WeakPolarHBondContact CB-OE1 3.23Å; H251-E261 PolarHBondContact N-OE1 2.92Å; Q257-E261 HydrophobicContact CG-CB 3.94Å; F258-E261 HydrophobicContact CB-CG 4.23Å; F258-E261 WeakPolarHBondContact CD2-OE1 3.35Å; F258-E261 PolarHBondContact N-OE1 3.48Å; F258-E261 WeakPolarHBondContact O-CB 3.37Å; F258-E261 PolarHBondContact O-N 3.45Å; F258-E261 VanDerWaalsContact O-N 3.14Å; V259-E261 VanDerWaalsContact C-N 3.26Å; V259-E261 PolarHBondContact O-N 3.42Å; E261-H263 VanDerWaalsContact C-N 3.27Å; E261-H263 PolarHBondContact O-N 2.89Å; E261-I264 PolarHBondContact O-N 2.96Å; E261-V265 WeakPolarHBondContact O-CB 3.15Å; E261-V265 WeakPolarHBondContact O-CG2 3.34Å; E261-V265 PolarHBondContact O-N 3.4Å; E261-K317 IonicContact OE2-NZ 3.24Å; E261-K317 PolarHBondContact OE2-NZ 3.49Å
262T91.1Very high88.2Confident0 Ų043.5 Ų43.50%026%0.259CS..Hα-helixtrans-63.5-37-179.854.30000111.2S225 Q227 N230 Q257 V259 A260 L266S225-T262 WeakPolarHBondContact O-CG2 3.32Å; Q227-T262 PolarHBondContact NE2-OG1 3.47Å; N230-T262 WeakPolarHBondContact ND2-CG2 3.42Å; N230-T262 PolarHBondContact ND2-OG1 2.86Å; Q257-T262 HydrophobicContact CG-CG2 4.35Å; V259-T262 PolarHBondContact O-N 3.01Å; V259-T262 PolarHBondContact O-OG1 3.38Å; A260-T262 PolarHBondContact O-N 3.19Å; T262-L266 WeakPolarHBondContact O-CB 3.28Å; T262-L266 PolarHBondContact O-N 3.41Å
263H91.7Very high89Confident84 Ų8442.4 Ų42.439%0.38924%0.24SC..Hα-helixtrans-66.7-39.7175.8-64.7-57.4000112.4V259 A260 E261 L266 L267V259-H263 PolarHBondContact O-CD2 3.16Å; A260-H263 PolarHBondContact O-N 2.74Å; E261-H263 VanDerWaalsContact C-N 3.27Å; E261-H263 PolarHBondContact O-N 2.89Å; H263-L266 PolarHBondContact O-N 2.88Å; H263-L267 WeakPolarHBondContact O-CB 3.39Å; H263-L267 PolarHBondContact O-N 3.48Å
264I91.3Very high89.7Confident53 Ų5342.4 Ų42.427%0.27224%0.243SC..Hα-helixtrans-64.8-48.2176.5-66.4166.9000110.4A260 E261 L266 L267 F268 I313A260-I264 WeakPolarHBondContact O-CG1 3.43Å; A260-I264 PolarHBondContact O-N 3.46Å; A260-I264 VanDerWaalsContact O-N 3.15Å; E261-I264 PolarHBondContact O-N 2.96Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 3.5Å; I264-L267 PolarHBondContact O-N 2.97Å; I264-F268 HydrophobicContact CG2-CD2 3.74Å; I264-F268 HydrophobicContact CG2-CE2 3.34Å; I264-F268 HydrophobicContact CG2-CZ 4.36Å; I264-F268 VanDerWaalsContact O-CD2 3.23Å; I264-F268 WeakPolarHBondContact O-CD2 3.39Å; I264-F268 PolarHBondContact O-N 2.91Å; I264-I313 HydrophobicContact CG2-CD1 4.02Å
265V92.2Very high90.5Very high39 Ų3939.3 Ų39.324%0.23622%0.222CC..Hα-helixtrans-63.3-40.1177.8172.70000111.2E261 L267 F268 N269E261-V265 WeakPolarHBondContact O-CB 3.15Å; E261-V265 WeakPolarHBondContact O-CG2 3.34Å; E261-V265 PolarHBondContact O-N 3.4Å; V265-L267 VanDerWaalsContact C-N 3.34Å; V265-L267 PolarHBondContact O-N 2.9Å; V265-F268 PolarHBondContact O-N 3.27Å; V265-N269 VanDerWaalsContact CG1-ND2 3.32Å; V265-N269 WeakPolarHBondContact CG1-ND2 3.46Å; V265-N269 WeakPolarHBondContact O-CB 3.35Å; V265-N269 PolarHBondContact O-N 3.47Å; V265-N269 PolarHBondContact O-ND2 3.33Å
266L93.6Very high91.3Very high44 Ų4436.1 Ų36.123%0.2321%0.208CC..Hα-helixtrans-58.8-46175-178.269.3000111.4L221 I222 T262 H263 I264 G270L221-L266 HydrophobicContact CB-CD1 3.62Å; L221-L266 WeakPolarHBondContact O-CD1 3.39Å; I222-L266 HydrophobicContact CG1-CD1 4.26Å; I222-L266 HydrophobicContact CG1-CD2 4.45Å; T262-L266 WeakPolarHBondContact O-CB 3.28Å; T262-L266 PolarHBondContact O-N 3.41Å; H263-L266 PolarHBondContact O-N 2.88Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 3.5Å; L266-G270 PolarHBondContact O-N 3.48Å
267L93.6Very high91.9Very high115 Ų11538.7 Ų38.760%0.60222%0.217SC*.Hα-helixtrans-62.4-45.5179-177148.4000111.4H263 I264 V265 G270 A271H263-L267 WeakPolarHBondContact O-CB 3.39Å; H263-L267 PolarHBondContact O-N 3.48Å; I264-L267 PolarHBondContact O-N 2.97Å; V265-L267 VanDerWaalsContact C-N 3.34Å; V265-L267 PolarHBondContact O-N 2.9Å; L267-G270 PolarHBondContact O-N 3.36Å; L267-A271 WeakPolarHBondContact O-CB 3.32Å; L267-A271 PolarHBondContact O-N 2.88Å
268F93.4Very high92.2Very high23 Ų2339.9 Ų39.910%0.10122%0.224CC..Hα-helixtrans-69-42.5179.5-69.7-50.2000113.3I264 V265 G270 A271 V272 C306 W309 L310 I313I264-F268 HydrophobicContact CG2-CD2 3.74Å; I264-F268 HydrophobicContact CG2-CE2 3.34Å; I264-F268 HydrophobicContact CG2-CZ 4.36Å; I264-F268 VanDerWaalsContact O-CD2 3.23Å; I264-F268 WeakPolarHBondContact O-CD2 3.39Å; I264-F268 PolarHBondContact O-N 2.91Å; V265-F268 PolarHBondContact O-N 3.27Å; F268-G270 VanDerWaalsContact C-N 3.3Å; F268-G270 PolarHBondContact O-N 2.73Å; F268-A271 PolarHBondContact O-N 2.77Å; F268-V272 WeakPolarHBondContact O-CG2 3.33Å; F268-V272 PolarHBondContact O-N 3.21Å; F268-C306 HydrophobicContact CD1-CB 4.34Å; F268-W309 HydrophobicContact CE1-CB 4.47Å; F268-W309 HydrophobicContact CE1-CD2 4.48Å; F268-W309 AromaticContact CE1-CE3 3.44Å; F268-W309 HydrophobicContact CE1-CE3 3.44Å; F268-W309 VanDerWaalsContact CE1-CE3 3.44Å; F268-W309 HydrophobicContact CE1-CZ3 4.05Å; F268-W309 HydrophobicContact CZ-CB 4.49Å; F268-W309 HydrophobicContact CZ-CD2 4.48Å; F268-W309 AromaticContact CZ-CE3 3.43Å; F268-W309 HydrophobicContact CZ-CE3 3.43Å; F268-W309 VanDerWaalsContact CZ-CE3 3.43Å; F268-W309 HydrophobicContact CZ-CZ3 4.02Å; F268-L310 HydrophobicContact CB-CD1 4.05Å; F268-I313 HydrophobicContact CD2-CD1 4.12Å; F268-I313 HydrophobicContact CE2-CD1 3.65Å
269N93.3Very high92.4Very high46 Ų4641.5 Ų41.525%0.24623%0.234CC..Hα-helixtrans-63.9-38.4174.7-77.2-37.1000111.7L221 V265 T273 L310L221-N269 HydrophobicContact CD2-CB 3.9Å; V265-N269 VanDerWaalsContact CG1-ND2 3.32Å; V265-N269 WeakPolarHBondContact CG1-ND2 3.46Å; V265-N269 WeakPolarHBondContact O-CB 3.35Å; V265-N269 PolarHBondContact O-N 3.47Å; V265-N269 PolarHBondContact O-ND2 3.33Å; N269-T273 WeakPolarHBondContact O-CB 3.48Å; N269-T273 PolarHBondContact O-N 2.85Å; N269-T273 PolarHBondContact O-OG1 3.2Å; N269-L310 WeakPolarHBondContact OD1-CD1 3.26Å
270G94.1Very high92.5Very high22 Ų2243.7 Ų43.723%0.22725%0.249CC..Hα-helixtrans-62.2-45173.500000112.1L266 L267 F268 T273 A274L266-G270 PolarHBondContact O-N 3.48Å; L267-G270 PolarHBondContact O-N 3.36Å; F268-G270 VanDerWaalsContact C-N 3.3Å; F268-G270 PolarHBondContact O-N 2.73Å; G270-T273 PolarHBondContact O-N 3.21Å; G270-A274 WeakPolarHBondContact O-CB 3.38Å; G270-A274 PolarHBondContact O-N 3.49Å
271A94Very high92.6Very high23 Ų2348.1 Ų48.119%0.1927%0.269CS..Hα-helixtrans-61.1-53.2175.200000111.2L267 F268 T273 A274 G275 L302 C306L267-A271 WeakPolarHBondContact O-CB 3.32Å; L267-A271 PolarHBondContact O-N 2.88Å; F268-A271 PolarHBondContact O-N 2.77Å; A271-T273 VanDerWaalsContact C-N 3.25Å; A271-T273 PolarHBondContact O-N 3.23Å; A271-A274 WeakPolarHBondContact O-CB 3.48Å; A271-A274 PolarHBondContact O-N 2.94Å; A271-G275 PolarHBondContact O-N 3.41Å; A271-L302 HydrophobicContact CB-CD2 4.35Å; A271-L302 WeakPolarHBondContact O-CD2 3.48Å; A271-C306 HydrophobicContact CB-CB 4.26Å
272V94.4Very high92.6Very high22 Ų2247.8 Ų47.813%0.13327%0.269CS..Hα-helixtrans-54.9-43.2177.91720000111.4F268 G275 I276 C306 F307F268-V272 WeakPolarHBondContact O-CG2 3.33Å; F268-V272 PolarHBondContact O-N 3.21Å; V272-G275 PolarHBondContact O-N 2.88Å; V272-I276 HydrophobicContact CG1-CD1 4.16Å; V272-I276 WeakPolarHBondContact O-CG1 3.27Å; V272-I276 PolarHBondContact O-N 3.41Å; V272-C306 HydrophobicContact CG2-CB 3.7Å; V272-F307 HydrophobicContact CG2-CB 4.41Å
273T94.4Very high92.4Very high38 Ų3851.8 Ų51.823%0.23330%0.301CS..Hα-helixtrans-64.1-43.5177.6-52.50000112L217 N269 G270 A271 G275 I276 I277L217-T273 HydrophobicContact CD1-CG2 3.66Å; L217-T273 HydrophobicContact CD2-CG2 4.25Å; N269-T273 WeakPolarHBondContact O-CB 3.48Å; N269-T273 PolarHBondContact O-N 2.85Å; N269-T273 PolarHBondContact O-OG1 3.2Å; G270-T273 PolarHBondContact O-N 3.21Å; A271-T273 VanDerWaalsContact C-N 3.25Å; A271-T273 PolarHBondContact O-N 3.23Å; T273-G275 VanDerWaalsContact C-N 3.3Å; T273-G275 PolarHBondContact O-N 3.42Å; T273-I276 PolarHBondContact O-N 2.84Å; T273-I277 HydrophobicContact CG2-CD1 4.09Å; T273-I277 WeakPolarHBondContact O-CG1 3.3Å; T273-I277 PolarHBondContact O-N 3.13Å
274A93.6Very high92.1Very high45 Ų4553.2 Ų53.237%0.37232%0.316SS..Hα-helixtrans-60.7-39.7174.400000111.9G270 A271 I276 I277 L278G270-A274 WeakPolarHBondContact O-CB 3.38Å; G270-A274 PolarHBondContact O-N 3.49Å; A271-A274 WeakPolarHBondContact O-CB 3.48Å; A271-A274 PolarHBondContact O-N 2.94Å; A274-I276 PolarHBondContact O-N 2.92Å; A274-I277 PolarHBondContact O-N 3.13Å; A274-L278 WeakPolarHBondContact O-CG 3.32Å; A274-L278 PolarHBondContact O-N 3.37Å
275G93.9Very high91.7Very high0 Ų051.6 Ų51.60%031%0.309CS..Hα-helixtrans-61.7-41.4174.900000112.7A271 V272 T273 L278 L279 L302A271-G275 PolarHBondContact O-N 3.41Å; V272-G275 PolarHBondContact O-N 2.88Å; T273-G275 VanDerWaalsContact C-N 3.3Å; T273-G275 PolarHBondContact O-N 3.42Å; G275-L278 PolarHBondContact O-N 2.88Å; G275-L279 WeakPolarHBondContact O-CG 3.36Å; G275-L279 PolarHBondContact O-N 3.44Å; G275-L279 VanDerWaalsContact O-N 3.13Å; G275-L302 VanDerWaalsContact CA-CD2 3.46Å; G275-L302 VanDerWaalsContact N-CD2 3.34Å
276I93.8Very high91Very high84 Ų8457.9 Ų57.943%0.43134%0.342SS..Hα-helixtrans-65.8-42.1174.4-66.3169.7000111.1V272 T273 A274 L278 L279 C280 V303V272-I276 HydrophobicContact CG1-CD1 4.16Å; V272-I276 WeakPolarHBondContact O-CG1 3.27Å; V272-I276 PolarHBondContact O-N 3.41Å; T273-I276 PolarHBondContact O-N 2.84Å; A274-I276 PolarHBondContact O-N 2.92Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.42Å; I276-L279 PolarHBondContact O-N 3.35Å; I276-L279 VanDerWaalsContact O-N 3.15Å; I276-C280 PolarHBondContact O-N 2.88Å; I276-C280 PolarHBondContact O-SG 3.38Å; I276-V303 HydrophobicContact CG1-CG2 4Å
277I92.6Very high90.4Very high80 Ų8058.9 Ų58.941%0.4135%0.347SS..Hα-helixtrans-60.4-45.5177-68.5166.5000110.5L217 T273 A274 L279 C280 E281L217-I277 HydrophobicContact CD2-CD1 4.08Å; T273-I277 HydrophobicContact CG2-CD1 4.09Å; T273-I277 WeakPolarHBondContact O-CG1 3.3Å; T273-I277 PolarHBondContact O-N 3.13Å; A274-I277 PolarHBondContact O-N 3.13Å; I277-L279 VanDerWaalsContact C-N 3.26Å; I277-L279 PolarHBondContact O-N 3.44Å; I277-C280 PolarHBondContact O-N 3.48Å; I277-E281 WeakPolarHBondContact O-CB 3.36Å; I277-E281 PolarHBondContact O-N 2.89Å
278L91.4Very high90Very high60 Ų6059 Ų5931%0.31435%0.348SS..Hα-helixtrans-59.2-36.6175.7-72.4173.6000112.4A274 G275 I276 A282A274-L278 WeakPolarHBondContact O-CG 3.32Å; A274-L278 PolarHBondContact O-N 3.37Å; G275-L278 PolarHBondContact O-N 2.88Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 3.35Å; L278-A282 WeakPolarHBondContact O-CB 3.42Å; L278-A282 PolarHBondContact O-N 3.25Å
279L92.2Very high89.6Confident49 Ų4961.1 Ų61.126%0.25736%0.363SS..Hα-helixtrans-69.5-44.3176.6-70.4168.2000112.4G275 I276 I277 A282 A283 C296 I300 V303G275-L279 WeakPolarHBondContact O-CG 3.36Å; G275-L279 PolarHBondContact O-N 3.44Å; G275-L279 VanDerWaalsContact O-N 3.13Å; I276-L279 WeakPolarHBondContact O-CB 3.42Å; I276-L279 PolarHBondContact O-N 3.35Å; I276-L279 VanDerWaalsContact O-N 3.15Å; I277-L279 VanDerWaalsContact C-N 3.26Å; I277-L279 PolarHBondContact O-N 3.44Å; L279-A282 PolarHBondContact O-N 3Å; L279-A283 WeakPolarHBondContact O-CB 3.32Å; L279-A283 PolarHBondContact O-N 2.98Å; L279-C296 HydrophobicContact CD2-CB 4.5Å; L279-C296 WeakPolarHBondContact CD2-O 3.47Å; L279-I300 HydrophobicContact CD1-CG1 4.4Å; L279-I300 HydrophobicContact CD2-CG1 3.7Å; L279-V303 HydrophobicContact CD1-CG2 4.35Å
280C91Very high89.2Confident75 Ų7560.8 Ų60.851%0.50737%0.371SS..Hα-helixtrans-62.1-45.9175.8-70.60000111I276 I277 A283 T284I276-C280 PolarHBondContact O-N 2.88Å; I276-C280 PolarHBondContact O-SG 3.38Å; I277-C280 PolarHBondContact O-N 3.48Å; C280-A283 WeakPolarHBondContact O-CB 3.1Å; C280-A283 PolarHBondContact O-N 3.09Å; C280-A283 VanDerWaalsContact O-N 3.09Å; C280-T284 PolarHBondContact O-N 3.41Å; C280-T284 PolarHBondContact O-OG1 2.94Å; C280-T284 VanDerWaalsContact O-OG1 3.09Å
281E89.6Confident88.8Confident98 Ų9866.2 Ų66.246%0.45839%0.388SS..Hα-helixtrans-67.1-38.6179.4-169.3167.5-17100111.6I277 A283 T284 S285I277-E281 WeakPolarHBondContact O-CB 3.36Å; I277-E281 PolarHBondContact O-N 2.89Å; E281-A283 VanDerWaalsContact C-N 3.25Å; E281-A283 PolarHBondContact O-N 3.47Å; E281-T284 PolarHBondContact O-N 2.93Å; E281-S285 WeakPolarHBondContact O-CB 3.43Å; E281-S285 PolarHBondContact O-N 3.38Å; E281-S285 PolarHBondContact O-OG 3.02Å
282A88.9Confident88.4Confident4 Ų469.6 Ų69.63%0.03340%0.396CS..Hα-helixtrans-61-34.4170.800000112.1L278 L279 R292 M295 C296L278-A282 WeakPolarHBondContact O-CB 3.42Å; L278-A282 PolarHBondContact O-N 3.25Å; L279-A282 PolarHBondContact O-N 3Å; A282-R292 HydrophobicContact CB-CG 4.24Å; A282-R292 WeakPolarHBondContact O-CD 3.43Å; A282-R292 WeakPolarHBondContact O-CG 3.32Å; A282-M295 HydrophobicContact CB-CB 3.98Å; A282-M295 HydrophobicContact CB-CE 4.44Å; A282-C296 HydrophobicContact CB-CB 4.16Å
283A86.8Confident88.1Confident83 Ų8375.3 Ų75.369%0.68642%0.419SS*.Hα-helixtrans-74.9-36.217900000113.2L279 C280 E281L279-A283 WeakPolarHBondContact O-CB 3.32Å; L279-A283 PolarHBondContact O-N 2.98Å; C280-A283 WeakPolarHBondContact O-CB 3.1Å; C280-A283 PolarHBondContact O-N 3.09Å; C280-A283 VanDerWaalsContact O-N 3.09Å; E281-A283 VanDerWaalsContact C-N 3.25Å; E281-A283 PolarHBondContact O-N 3.47Å
284T86.1Confident87.8Confident115 Ų11579.2 Ų79.271%0.70644%0.437SS*.Hα-helixtrans-98.2-12.9-173.557.60000114.8C280 E281C280-T284 PolarHBondContact O-N 3.41Å; C280-T284 PolarHBondContact O-OG1 2.94Å; C280-T284 VanDerWaalsContact O-OG1 3.09Å; E281-T284 PolarHBondContact O-N 2.93Å
285S82.1Confident87.6Confident18 Ų1878.9 Ų78.913%0.12643%0.428CS..  trans-85.7136.4-175.559.70000113.4E281 I287E281-S285 WeakPolarHBondContact O-CB 3.43Å; E281-S285 PolarHBondContact O-N 3.38Å; E281-S285 PolarHBondContact O-OG 3.02Å; S285-I287 PolarHBondContact O-N 3.07Å; S285-I287 VanDerWaalsContact O-N 3.11Å
286D77.6Confident87.4Confident171 Ų17181.1 Ų81.191%0.91444%0.443SS*.  trans-82.433.5171.8-66.5-35.6000112.3
287I81.3Confident87.4Confident65 Ų6581.9 Ų81.933%0.33345%0.452SS..  trans-78.8152.4177.6-63.6166.2000109.2S285 K291 M295S285-I287 PolarHBondContact O-N 3.07Å; S285-I287 VanDerWaalsContact O-N 3.11Å; I287-K291 HydrophobicContact CG2-CB 3.69Å; I287-K291 HydrophobicContact CG2-CD 3.93Å; I287-K291 HydrophobicContact CG2-CG 4.42Å; I287-M295 HydrophobicContact CD1-CE 3.97Å
288D86.9Confident87.4Confident117 Ų11780.3 Ų80.363%0.62645%0.451SS*.  trans-45.3140.3174.7-17117.2000113.2G290 K291 R292D288-G290 PolarHBondContact O-N 3.36Å; D288-G290 VanDerWaalsContact O-N 3.11Å; D288-K291 PolarHBondContact O-N 3.02Å; D288-R292 PolarHBondContact O-N 3.47Å; D288-R292 VanDerWaalsContact O-N 3.11Å
289T83.7Confident87.4Confident68 Ų6877.4 Ų77.442%0.41744%0.436SS..Hα-helixtrans-59.1-33.7-166.7-510000112K293T289-K293 WeakPolarHBondContact O-CG 3.27Å; T289-K293 PolarHBondContact O-N 3.45Å
290G85.6Confident87.5Confident40 Ų4079.3 Ų79.341%0.41245%0.445SS..Hα-helixtrans-65.1-47.5176.900000113D288 K293 I294D288-G290 PolarHBondContact O-N 3.36Å; D288-G290 VanDerWaalsContact O-N 3.11Å; G290-K293 PolarHBondContact O-N 3Å; G290-I294 WeakPolarHBondContact O-CG1 3.37Å; G290-I294 PolarHBondContact O-N 3.24Å
291K84.8Confident87.6Confident136 Ų13678.8 Ų78.859%0.59144%0.442SS*.Hα-helixtrans-68-38.8179.9-68179.8-178.7177.80111.6I287 D288 K293 I294 M295I287-K291 HydrophobicContact CG2-CB 3.69Å; I287-K291 HydrophobicContact CG2-CD 3.93Å; I287-K291 HydrophobicContact CG2-CG 4.42Å; D288-K291 PolarHBondContact O-N 3.02Å; K291-K293 PolarHBondContact O-N 3.49Å; K291-I294 PolarHBondContact O-N 3.39Å; K291-M295 WeakPolarHBondContact O-CG 3.34Å; K291-M295 PolarHBondContact O-N 3.15Å
292R86.1Confident87.7Confident93 Ų9377.1 Ų77.135%0.35144%0.435SS..Hα-helixtrans-59.2-43.8174.9-175.5171.663.1-153.62.7112.7A282 D288 I294 M295 C296A282-R292 HydrophobicContact CB-CG 4.24Å; A282-R292 WeakPolarHBondContact O-CD 3.43Å; A282-R292 WeakPolarHBondContact O-CG 3.32Å; D288-R292 PolarHBondContact O-N 3.47Å; D288-R292 VanDerWaalsContact O-N 3.11Å; R292-I294 VanDerWaalsContact C-N 3.35Å; R292-I294 PolarHBondContact O-N 3.47Å; R292-M295 PolarHBondContact O-N 2.95Å; R292-C296 WeakPolarHBondContact O-CB 3.33Å; R292-C296 PolarHBondContact O-N 3.13Å
293K86.9Confident87.9Confident142 Ų14278.5 Ų78.562%0.61744%0.443SS*.Hα-helixtrans-61.2-43.4176.1-76.2178.2178.9-177.60111.8T289 G290 K291 C296 V297T289-K293 WeakPolarHBondContact O-CG 3.27Å; T289-K293 PolarHBondContact O-N 3.45Å; G290-K293 PolarHBondContact O-N 3Å; K291-K293 PolarHBondContact O-N 3.49Å; K293-C296 PolarHBondContact O-N 3.22Å; K293-V297 WeakPolarHBondContact O-CG2 3.45Å; K293-V297 PolarHBondContact O-N 2.91Å
294I89.5Confident88.2Confident120 Ų12078 Ų7862%0.61543%0.428SS*.Hα-helixtrans-63.1-46.2178.1-65.3166.7000110.9G290 K291 R292 C296 V297 A298G290-I294 WeakPolarHBondContact O-CG1 3.37Å; G290-I294 PolarHBondContact O-N 3.24Å; K291-I294 PolarHBondContact O-N 3.39Å; R292-I294 VanDerWaalsContact C-N 3.35Å; R292-I294 PolarHBondContact O-N 3.47Å; I294-C296 VanDerWaalsContact C-N 3.34Å; I294-C296 PolarHBondContact O-N 3.42Å; I294-V297 PolarHBondContact O-N 3.22Å; I294-A298 VanDerWaalsContact O-CB 3.24Å; I294-A298 WeakPolarHBondContact O-CB 3.38Å; I294-A298 PolarHBondContact O-N 3.39Å
295M88.6Confident88.5Confident38 Ų3876.5 Ų76.519%0.18742%0.415CS..Hα-helixtrans-61-41.9177.6-69-173.2-60.400112.2A282 I287 K291 R292 A298 G299A282-M295 HydrophobicContact CB-CB 3.98Å; A282-M295 HydrophobicContact CB-CE 4.44Å; I287-M295 HydrophobicContact CD1-CE 3.97Å; K291-M295 WeakPolarHBondContact O-CG 3.34Å; K291-M295 PolarHBondContact O-N 3.15Å; R292-M295 PolarHBondContact O-N 2.95Å; M295-A298 PolarHBondContact O-N 2.88Å; M295-G299 PolarHBondContact O-N 3.27Å
296C90.7Very high89Confident47 Ų4776.6 Ų76.632%0.31842%0.416SS..Hα-helixtrans-65-47.4177.6-174.50000112L279 A282 R292 K293 I294 A298 G299 I300L279-C296 HydrophobicContact CD2-CB 4.5Å; L279-C296 WeakPolarHBondContact CD2-O 3.47Å; A282-C296 HydrophobicContact CB-CB 4.16Å; R292-C296 WeakPolarHBondContact O-CB 3.33Å; R292-C296 PolarHBondContact O-N 3.13Å; K293-C296 PolarHBondContact O-N 3.22Å; I294-C296 VanDerWaalsContact C-N 3.34Å; I294-C296 PolarHBondContact O-N 3.42Å; C296-A298 PolarHBondContact O-N 2.87Å; C296-G299 PolarHBondContact O-N 3.05Å; C296-I300 WeakPolarHBondContact O-CG1 3.42Å; C296-I300 PolarHBondContact O-N 3.09Å
297V92.6Very high89.6Confident100 Ų10072.9 Ų72.961%0.60639%0.392SS*.Hα-helixtrans-63-43.1177.6172.90000111.1K293 I294 I300 C301K293-V297 WeakPolarHBondContact O-CG2 3.45Å; K293-V297 PolarHBondContact O-N 2.91Å; I294-V297 PolarHBondContact O-N 3.22Å; V297-I300 PolarHBondContact O-N 3.09Å; V297-C301 VanDerWaalsContact O-CB 3.28Å; V297-C301 WeakPolarHBondContact O-CB 2.88Å; V297-C301 PolarHBondContact O-N 3.24Å
298A92.4Very high90Very high47 Ų4769.9 Ų69.939%0.38838%0.376SS..Hα-helixtrans-61.8-44.4176.200000111.6I294 M295 C296 C301 L302I294-A298 VanDerWaalsContact O-CB 3.24Å; I294-A298 WeakPolarHBondContact O-CB 3.38Å; I294-A298 PolarHBondContact O-N 3.39Å; M295-A298 PolarHBondContact O-N 2.88Å; C296-A298 PolarHBondContact O-N 2.87Å; A298-C301 PolarHBondContact O-N 2.86Å; A298-L302 VanDerWaalsContact O-CB 3.26Å; A298-L302 WeakPolarHBondContact O-CB 3.44Å; A298-L302 PolarHBondContact O-N 3.27Å
299G92.1Very high90.1Very high0 Ų070.5 Ų70.50%037%0.37CS..Hα-helixtrans-61.3-47.4177.300000112.8M295 C296 L302 V303M295-G299 PolarHBondContact O-N 3.27Å; C296-G299 PolarHBondContact O-N 3.05Å; G299-L302 PolarHBondContact O-N 2.88Å; G299-V303 WeakPolarHBondContact O-CG2 3.38Å; G299-V303 PolarHBondContact O-N 2.94Å
300I93.8Very high90.4Very high88 Ų8869.4 Ų69.445%0.45136%0.361SS..Hα-helixtrans-60.5-49176.2-67170.3000110.3L279 C296 V297 L302 V303 M304L279-I300 HydrophobicContact CD1-CG1 4.4Å; L279-I300 HydrophobicContact CD2-CG1 3.7Å; C296-I300 WeakPolarHBondContact O-CG1 3.42Å; C296-I300 PolarHBondContact O-N 3.09Å; V297-I300 PolarHBondContact O-N 3.09Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.01Å; I300-V303 PolarHBondContact O-N 3Å; I300-M304 HydrophobicContact CG2-CG 3.98Å; I300-M304 WeakPolarHBondContact O-CB 3.33Å; I300-M304 WeakPolarHBondContact O-CG 3.37Å; I300-M304 PolarHBondContact O-N 3.18Å
301C92.9Very high90.5Very high65 Ų6568.6 Ų68.644%0.43935%0.347SS..Hα-helixtrans-57.7-47-179-174.60000111.4V297 A298 M304 L305V297-C301 VanDerWaalsContact O-CB 3.28Å; V297-C301 WeakPolarHBondContact O-CB 2.88Å; V297-C301 PolarHBondContact O-N 3.24Å; A298-C301 PolarHBondContact O-N 2.86Å; C301-M304 PolarHBondContact O-N 3.39Å; C301-L305 WeakPolarHBondContact O-CB 3.38Å; C301-L305 VanDerWaalsContact O-CG 3.31Å; C301-L305 WeakPolarHBondContact O-CG 3.31Å; C301-L305 PolarHBondContact O-N 3.43Å; C301-L305 VanDerWaalsContact SG-CD1 3.57Å
302L93Very high90.6Very high62 Ų6263.9 Ų63.933%0.32533%0.332SS..Hα-helixtrans-64.8-44-178.5-165.5114.6000112.1A271 G275 A298 G299 I300 C306A271-L302 HydrophobicContact CB-CD2 4.35Å; A271-L302 WeakPolarHBondContact O-CD2 3.48Å; G275-L302 VanDerWaalsContact CA-CD2 3.46Å; G275-L302 VanDerWaalsContact N-CD2 3.34Å; A298-L302 VanDerWaalsContact O-CB 3.26Å; A298-L302 WeakPolarHBondContact O-CB 3.44Å; A298-L302 PolarHBondContact O-N 3.27Å; G299-L302 PolarHBondContact O-N 2.88Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.01Å; L302-C306 VanDerWaalsContact O-CB 3.27Å; L302-C306 WeakPolarHBondContact O-CB 3.46Å; L302-C306 PolarHBondContact O-N 3.01Å; L302-C306 VanDerWaalsContact O-N 3.07Å; L302-C306 PolarHBondContact O-SG 2.93Å; L302-C306 VanDerWaalsContact O-SG 3.39Å
303V93.5Very high90.7Very high33 Ų3361.4 Ų61.420%0.233%0.325CS..Hα-helixtrans-62.2-49.9175.7172.40000110.7I276 L279 G299 I300 L305 F307I276-V303 HydrophobicContact CG1-CG2 4Å; L279-V303 HydrophobicContact CD1-CG2 4.35Å; G299-V303 WeakPolarHBondContact O-CG2 3.38Å; G299-V303 PolarHBondContact O-N 2.94Å; I300-V303 PolarHBondContact O-N 3Å; V303-L305 PolarHBondContact O-N 2.84Å; V303-F307 WeakPolarHBondContact O-CB 3.38Å; V303-F307 PolarHBondContact O-N 3.11Å
304M92.8Very high90.7Very high73 Ų7359.4 Ų59.436%0.3632%0.316SS..Hα-helixtrans-63.7-44.4-175.1-66.4-75.2-75.700112.2I300 C301 S308 F325 L326I300-M304 HydrophobicContact CG2-CG 3.98Å; I300-M304 WeakPolarHBondContact O-CB 3.33Å; I300-M304 WeakPolarHBondContact O-CG 3.37Å; I300-M304 PolarHBondContact O-N 3.18Å; C301-M304 PolarHBondContact O-N 3.39Å; M304-S308 VanDerWaalsContact O-CB 3.32Å; M304-S308 WeakPolarHBondContact O-CB 3.4Å; M304-S308 PolarHBondContact O-N 3.12Å; M304-S308 VanDerWaalsContact O-N 3.09Å; M304-F325 HydrophobicContact CB-CE1 4.36Å; M304-F325 HydrophobicContact CE-CE1 3.34Å; M304-F325 HydrophobicContact CE-CZ 3.31Å; M304-F325 HydrophobicContact SD-CE1 3.43Å; M304-F325 WeakPolarHBondContact SD-CE1 3.27Å; M304-F325 HydrophobicContact SD-CZ 3.42Å; M304-F325 WeakPolarHBondContact SD-CZ 3.42Å; M304-L326 HydrophobicContact CB-CD1 4.14Å; M304-L326 HydrophobicContact CE-CD1 4.16Å
305L91.8Very high90.5Very high83 Ų8358 Ų5844%0.43530%0.303SS..Hα-helixtrans-70.1-51.2-179.6-69.4176.7000112C301 V303 F307 S308 W309C301-L305 WeakPolarHBondContact O-CB 3.38Å; C301-L305 VanDerWaalsContact O-CG 3.31Å; C301-L305 WeakPolarHBondContact O-CG 3.31Å; C301-L305 PolarHBondContact O-N 3.43Å; C301-L305 VanDerWaalsContact SG-CD1 3.57Å; V303-L305 PolarHBondContact O-N 2.84Å; L305-F307 PolarHBondContact O-N 2.97Å; L305-S308 PolarHBondContact O-N 3.39Å; L305-W309 PolarHBondContact O-N 3.49Å
306C91.5Very high90.2Very high21 Ų2158.9 Ų58.914%0.14232%0.317CS..Hα-helixtrans-67-38.2-177.5-66.80000111.9F268 A271 V272 L302 W309 L310F268-C306 HydrophobicContact CD1-CB 4.34Å; A271-C306 HydrophobicContact CB-CB 4.26Å; V272-C306 HydrophobicContact CG2-CB 3.7Å; L302-C306 VanDerWaalsContact O-CB 3.27Å; L302-C306 WeakPolarHBondContact O-CB 3.46Å; L302-C306 PolarHBondContact O-N 3.01Å; L302-C306 VanDerWaalsContact O-N 3.07Å; L302-C306 PolarHBondContact O-SG 2.93Å; L302-C306 VanDerWaalsContact O-SG 3.39Å; C306-W309 PolarHBondContact O-N 3.42Å; C306-L310 WeakPolarHBondContact O-CB 3.36Å; C306-L310 PolarHBondContact O-N 3.46Å
307F90.9Very high90Very high93 Ų9358.5 Ų58.541%0.40831%0.309SS..Hα-helixtrans-64.9-40.3174.6-174.4-104.8000111.6V272 V303 L305 W309 L310 L311 F325V272-F307 HydrophobicContact CG2-CB 4.41Å; V303-F307 WeakPolarHBondContact O-CB 3.38Å; V303-F307 PolarHBondContact O-N 3.11Å; L305-F307 PolarHBondContact O-N 2.97Å; F307-W309 PolarHBondContact O-N 3.41Å; F307-L310 PolarHBondContact O-N 3.29Å; F307-L311 HydrophobicContact CE1-CD1 4.42Å; F307-L311 HydrophobicContact CZ-CD1 4.37Å; F307-L311 PolarHBondContact O-N 2.94Å; F307-F325 HydrophobicContact CD1-CD1 4.5Å
308S90.1Very high89.5Confident1 Ų159.9 Ų59.91%0.00731%0.305CS..Hα-helixtrans-62.8-40.9175.7-169.30000112.7M304 L305 L311 S312 L326 M327M304-S308 VanDerWaalsContact O-CB 3.32Å; M304-S308 WeakPolarHBondContact O-CB 3.4Å; M304-S308 PolarHBondContact O-N 3.12Å; M304-S308 VanDerWaalsContact O-N 3.09Å; L305-S308 PolarHBondContact O-N 3.39Å; S308-L311 PolarHBondContact O-N 2.95Å; S308-S312 PolarHBondContact O-N 2.86Å; S308-L326 PolarHBondContact OG-N 3.11Å; S308-L326 VanDerWaalsContact OG-N 3.13Å; S308-M327 PolarHBondContact OG-N 3.22Å
309W89.7Confident88.7Confident131 Ų13165.3 Ų65.350%0.49632%0.322SS..Hα-helixtrans-66.3-40176.4-85.514.4000112.2F268 L305 C306 F307 L311 S312 I313 M327F268-W309 HydrophobicContact CE1-CB 4.47Å; F268-W309 HydrophobicContact CE1-CD2 4.48Å; F268-W309 AromaticContact CE1-CE3 3.44Å; F268-W309 HydrophobicContact CE1-CE3 3.44Å; F268-W309 VanDerWaalsContact CE1-CE3 3.44Å; F268-W309 HydrophobicContact CE1-CZ3 4.05Å; F268-W309 HydrophobicContact CZ-CB 4.49Å; F268-W309 HydrophobicContact CZ-CD2 4.48Å; F268-W309 AromaticContact CZ-CE3 3.43Å; F268-W309 HydrophobicContact CZ-CE3 3.43Å; F268-W309 VanDerWaalsContact CZ-CE3 3.43Å; F268-W309 HydrophobicContact CZ-CZ3 4.02Å; L305-W309 PolarHBondContact O-N 3.49Å; C306-W309 PolarHBondContact O-N 3.42Å; F307-W309 PolarHBondContact O-N 3.41Å; W309-L311 VanDerWaalsContact C-N 3.32Å; W309-L311 PolarHBondContact O-N 2.99Å; W309-S312 PolarHBondContact O-N 3.32Å; W309-I313 WeakPolarHBondContact O-CG1 3.43Å; W309-I313 PolarHBondContact O-N 3.36Å; W309-M327 PolarHBondContact NE1-SD 3.05Å
310L89.3Confident88Confident45 Ų4568.3 Ų68.324%0.23635%0.353CS..Hα-helixtrans-61.7-42.2175.9-166.2150.1000111.3F268 N269 C306 F307 I313 F314F268-L310 HydrophobicContact CB-CD1 4.05Å; N269-L310 WeakPolarHBondContact OD1-CD1 3.26Å; C306-L310 WeakPolarHBondContact O-CB 3.36Å; C306-L310 PolarHBondContact O-N 3.46Å; F307-L310 PolarHBondContact O-N 3.29Å; L310-I313 PolarHBondContact O-N 2.89Å; L310-F314 WeakPolarHBondContact O-CB 3.17Å; L310-F314 PolarHBondContact O-N 2.63Å
311L87.7Confident87.4Confident22 Ų2267.5 Ų67.512%0.11535%0.345CS..Hα-helixtrans-65.2-39176.3-156.997.8000112.4F307 S308 W309 F314 R315 Y321 Y323 F325F307-L311 HydrophobicContact CE1-CD1 4.42Å; F307-L311 HydrophobicContact CZ-CD1 4.37Å; F307-L311 PolarHBondContact O-N 2.94Å; S308-L311 PolarHBondContact O-N 2.95Å; W309-L311 VanDerWaalsContact C-N 3.32Å; W309-L311 PolarHBondContact O-N 2.99Å; L311-F314 PolarHBondContact O-N 3.43Å; L311-R315 WeakPolarHBondContact O-CB 3.49Å; L311-R315 PolarHBondContact O-N 3.5Å; L311-Y321 HydrophobicContact CD1-CE1 4.01Å; L311-Y321 HydrophobicContact CD2-CE1 4.19Å; L311-Y321 HydrophobicContact CG-CE1 4.07Å; L311-Y323 WeakPolarHBondContact CD2-O 3.28Å; L311-F325 HydrophobicContact CD2-CB 4.24Å
312S87.7Confident86.6Confident38 Ų3868.6 Ų68.627%0.26635%0.351SS..Hα-helixtrans-62.5-45.8175.51790000111.6S308 W309 F314 R315 A316S308-S312 PolarHBondContact O-N 2.86Å; W309-S312 PolarHBondContact O-N 3.32Å; S312-F314 VanDerWaalsContact C-N 3.33Å; S312-F314 PolarHBondContact O-N 3.39Å; S312-R315 PolarHBondContact O-N 2.88Å; S312-A316 PolarHBondContact O-N 3.45Å
313I86.6Confident86Confident41 Ų4173.1 Ų73.121%0.2137%0.365CS..Hα-helixtrans-61.2-43.2174.6-68168.3000110.9I250 I264 F268 W309 L310 R315 A316 K317I250-I313 HydrophobicContact CD1-CG1 4.33Å; I250-I313 HydrophobicContact CD1-CG2 4.09Å; I264-I313 HydrophobicContact CG2-CD1 4.02Å; F268-I313 HydrophobicContact CD2-CD1 4.12Å; F268-I313 HydrophobicContact CE2-CD1 3.65Å; W309-I313 WeakPolarHBondContact O-CG1 3.43Å; W309-I313 PolarHBondContact O-N 3.36Å; L310-I313 PolarHBondContact O-N 2.89Å; I313-R315 VanDerWaalsContact C-N 3.34Å; I313-R315 PolarHBondContact O-N 3.39Å; I313-A316 PolarHBondContact O-N 3.38Å; I313-K317 PolarHBondContact O-N 3.18Å
314F86.9Confident84.9Confident100 Ų10074.4 Ų74.444%0.43938%0.375SS..Hα-helixtrans-60.4-43.8177.7-179.6-101.9000111.8L310 L311 S312 K317 Y318 Y321L310-F314 WeakPolarHBondContact O-CB 3.17Å; L310-F314 PolarHBondContact O-N 2.63Å; L311-F314 PolarHBondContact O-N 3.43Å; S312-F314 VanDerWaalsContact C-N 3.33Å; S312-F314 PolarHBondContact O-N 3.39Å; F314-K317 PolarHBondContact O-N 2.94Å; F314-Y318 PolarHBondContact O-N 3.47Å; F314-Y321 HydrophobicContact CD1-CD1 4.22Å; F314-Y321 HydrophobicContact CD1-CD2 4.34Å; F314-Y321 HydrophobicContact CD1-CG 4.11Å; F314-Y321 HydrophobicContact CE1-CD1 4.4Å; F314-Y321 AromaticContact CE1-CD2 3.72Å; F314-Y321 HydrophobicContact CE1-CD2 3.72Å; F314-Y321 HydrophobicContact CE1-CE2 4.09Å; F314-Y321 AromaticContact CE1-CG 3.88Å; F314-Y321 HydrophobicContact CE1-CG 3.88Å
315R85.5Confident83.8Confident90 Ų9075.6 Ų75.634%0.3438%0.379SS..Hα-helixtrans-66.7-38.2177.2-170.8-179.9-172.8-161.13.4112.9L311 S312 I313 K317 Y318 H319 Y321L311-R315 WeakPolarHBondContact O-CB 3.49Å; L311-R315 PolarHBondContact O-N 3.5Å; S312-R315 PolarHBondContact O-N 2.88Å; I313-R315 VanDerWaalsContact C-N 3.34Å; I313-R315 PolarHBondContact O-N 3.39Å; R315-K317 PolarHBondContact O-N 2.97Å; R315-Y318 CarbonylContact O-C 3.17Å; R315-Y318 PolarHBondContact O-N 3.39Å; R315-H319 PolarHBondContact O-N 2.99Å; R315-Y321 PolarHBondContact NE-O 3.44Å
316A82.9Confident82.7Confident57 Ų5776.8 Ų76.847%0.47139%0.385SS..Hα-helixtrans-59.6-32174.100000111.9S312 I313 H319S312-A316 PolarHBondContact O-N 3.45Å; I313-A316 PolarHBondContact O-N 3.38Å; A316-H319 PolarHBondContact O-CE1 3.39Å; A316-H319 VanDerWaalsContact O-CE1 3.25Å
317K85.4Confident81.2Confident38 Ų3880.2 Ų80.217%0.16540%0.4CS..Hα-helixtrans-87.1-30177-161.9167.7-170.7172.90113.5S253 A256 E261 I313 F314 R315S253-K317 WeakPolarHBondContact O-CE 3.12Å; A256-K317 WeakPolarHBondContact O-CE 2.96Å; A256-K317 PolarHBondContact O-NZ 3.15Å; E261-K317 IonicContact OE2-NZ 3.24Å; E261-K317 PolarHBondContact OE2-NZ 3.49Å; I313-K317 PolarHBondContact O-N 3.18Å; F314-K317 PolarHBondContact O-N 2.94Å; R315-K317 PolarHBondContact O-N 2.97Å
318Y82.1Confident79.3Confident130 Ų13079.9 Ų79.951%0.5142%0.423SS..  trans-12083.3-179.7-145-91.9000110.4F314 R315 G320 Y321F314-Y318 PolarHBondContact O-N 3.47Å; R315-Y318 CarbonylContact O-C 3.17Å; R315-Y318 PolarHBondContact O-N 3.39Å; Y318-G320 PolarHBondContact O-N 3.23Å; Y318-Y321 WeakPolarHBondContact O-CB 3.08Å; Y318-Y321 PolarHBondContact O-N 2.97Å
319H76.2Confident78.8Confident160 Ų16083.8 Ų83.874%0.74144%0.443SS*.THydrogen-bonded Turntrans-57-19.9-174.8-64.7-56.8000114.9R315 A316 Y321R315-H319 PolarHBondContact O-N 2.99Å; A316-H319 PolarHBondContact O-CE1 3.39Å; A316-H319 VanDerWaalsContact O-CE1 3.25Å; H319-Y321 VanDerWaalsContact C-N 3.34Å
320G77Confident78.2Confident64 Ų6481.3 Ų81.366%0.6644%0.441SS*.THydrogen-bonded Turntrans-81.6-1.5176.200000115.4Y318 P322Y318-G320 PolarHBondContact O-N 3.23Å; G320-P322 WeakPolarHBondContact O-CD 3.32Å
321Y81.4Confident77.6Confident70 Ų7083.3 Ų83.328%0.27545%0.452SS..  trans-80.6119.5-177.4-167.3-105.3000111.7L311 F314 R315 Y318 H319 Y323L311-Y321 HydrophobicContact CD1-CE1 4.01Å; L311-Y321 HydrophobicContact CD2-CE1 4.19Å; L311-Y321 HydrophobicContact CG-CE1 4.07Å; F314-Y321 HydrophobicContact CD1-CD1 4.22Å; F314-Y321 HydrophobicContact CD1-CD2 4.34Å; F314-Y321 HydrophobicContact CD1-CG 4.11Å; F314-Y321 HydrophobicContact CE1-CD1 4.4Å; F314-Y321 AromaticContact CE1-CD2 3.72Å; F314-Y321 HydrophobicContact CE1-CD2 3.72Å; F314-Y321 HydrophobicContact CE1-CE2 4.09Å; F314-Y321 AromaticContact CE1-CG 3.88Å; F314-Y321 HydrophobicContact CE1-CG 3.88Å; R315-Y321 PolarHBondContact NE-O 3.44Å; Y318-Y321 WeakPolarHBondContact O-CB 3.08Å; Y318-Y321 PolarHBondContact O-N 2.97Å; H319-Y321 VanDerWaalsContact C-N 3.34Å; Y321-Y323 WeakPolarHBondContact CD1-O 3.41Å; Y321-Y323 HydrophobicContact CE1-CD2 4.39Å; Y321-Y323 VanDerWaalsContact CE1-O 3.32Å; Y321-Y323 WeakPolarHBondContact CE1-O 3.24Å; Y321-Y323 HydrophobicContact CE2-CD2 4.21Å; Y321-Y323 AromaticContact CZ-CD2 3.95Å
322P77.6Confident77Confident88 Ų8886.9 Ų86.957%0.57147%0.472SS*.  trans-89.3-15.9-168.333.4-34.7000114.7G320G320-P322 WeakPolarHBondContact O-CD 3.32Å
323Y78.5Confident76.3Confident158 Ų15890 Ų9062%0.6249%0.485SS*.  trans-94.8140.2-172.4-54.3-70.5000112.1L311 Y321L311-Y323 WeakPolarHBondContact CD2-O 3.28Å; Y321-Y323 WeakPolarHBondContact CD1-O 3.41Å; Y321-Y323 HydrophobicContact CE1-CD2 4.39Å; Y321-Y323 VanDerWaalsContact CE1-O 3.32Å; Y321-Y323 WeakPolarHBondContact CE1-O 3.24Å; Y321-Y323 HydrophobicContact CE2-CD2 4.21Å; Y321-Y323 AromaticContact CZ-CD2 3.95Å
324S71.9Confident75.6Confident60 Ų6093.3 Ų93.342%0.4250%0.503SS..  trans-128151.5168.6176.60000108.8M327 G328S324-M327 PolarHBondContact OG-O 3.11Å; S324-G328 WeakPolarHBondContact OG-CA 3.36Å; S324-G328 PolarHBondContact OG-N 3.11Å
325F69.2Low74.8Confident98 Ų9892.8 Ų92.843%0.4351%0.508SS..SBendtrans-101.5-72.8-178.6-167.7-113.6000112.3M304 F307 L311M304-F325 HydrophobicContact CB-CE1 4.36Å; M304-F325 HydrophobicContact CE-CE1 3.34Å; M304-F325 HydrophobicContact CE-CZ 3.31Å; M304-F325 HydrophobicContact SD-CE1 3.43Å; M304-F325 WeakPolarHBondContact SD-CE1 3.27Å; M304-F325 HydrophobicContact SD-CZ 3.42Å; M304-F325 WeakPolarHBondContact SD-CZ 3.42Å; F307-F325 HydrophobicContact CD1-CD1 4.5Å; L311-F325 HydrophobicContact CD2-CB 4.24Å
326L68.5Low74Confident107 Ų10793 Ų9356%0.5652%0.521SS*.SBendtrans-124.1-37178.5-78.7162.4000113.1M304 S308M304-L326 HydrophobicContact CB-CD1 4.14Å; M304-L326 HydrophobicContact CE-CD1 4.16Å; S308-L326 PolarHBondContact OG-N 3.11Å; S308-L326 VanDerWaalsContact OG-N 3.13Å
327M60.7Low73.2Confident93 Ų9396 Ų9646%0.45853%0.525SS..  trans-113.4119.4175.1-64.2-164.8178.600109S308 W309 S324S308-M327 PolarHBondContact OG-N 3.22Å; W309-M327 PolarHBondContact NE1-SD 3.05Å; S324-M327 PolarHBondContact OG-O 3.11Å
328G50.7Low72.1Confident86 Ų86101.3 Ų101.389%0.88756%0.557SS**  trans-82.10178.600000112.6S324S324-G328 WeakPolarHBondContact OG-CA 3.36Å; S324-G328 PolarHBondContact OG-N 3.11Å

Retrieved 328 of 328 residues in 425.8 ms (Link to these results)

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