A0A3Q0KBD5_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KBD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 414 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
1M38.1Very low40.8Very low198 Ų198121.8 Ų121.898%0.97557%0.565SS**  0-590-75.8-161.8-165.600113F3 L4 E5M1-F3 PolarHBondContact O-N 3.39Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.17Å
2R41Very low40.7Very low224 Ų224116.3 Ų116.385%0.84555%0.549SS*.Hα-helixtrans-50.8-32.7-179.5-66.9-174.1-178.8178.70.9115.5S6R2-S6 PolarHBondContact O-N 2.98Å; R2-S6 VanDerWaalsContact O-N 3.08Å
3F38.4Very low40.5Very low178 Ų178111 Ų11178%0.78153%0.526SS*.Hα-helixtrans-74.1-33.1179.5-142.9-90.8000114.1M1 S6 F7M1-F3 PolarHBondContact O-N 3.39Å; F3-S6 PolarHBondContact O-OG 3.43Å; F3-F7 VanDerWaalsContact O-CB 3.3Å; F3-F7 WeakPolarHBondContact O-CB 3.39Å; F3-F7 PolarHBondContact O-N 2.99Å
4L36.5Very low40.3Very low118 Ų118115.9 Ų115.962%0.61854%0.544SS*.Hα-helixtrans-78-34.9175.9-99.1143.1000110.7M1 F7 L8M1-L4 PolarHBondContact O-N 3.22Å; L4-F7 PolarHBondContact O-N 2.95Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 2.64Å
5E40.2Very low40.3Very low104 Ų104117.6 Ų117.649%0.48655%0.554SS.*Hα-helixtrans-67.2-41.3174.2-70179.9145.900112.4M1 R9M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.17Å; E5-R9 WeakPolarHBondContact O-CB 3.24Å; E5-R9 VanDerWaalsContact O-CG 3.25Å; E5-R9 WeakPolarHBondContact O-CG 3.36Å; E5-R9 PolarHBondContact O-N 2.69Å; E5-R9 VanDerWaalsContact O-N 3.13Å
6S42.3Very low40.5Very low38 Ų38112.9 Ų112.927%0.26655%0.547SS..Hα-helixtrans-67.4-39.1174.574.80000112.1R2 F3 R9 I10R2-S6 PolarHBondContact O-N 2.98Å; R2-S6 VanDerWaalsContact O-N 3.08Å; F3-S6 PolarHBondContact O-OG 3.43Å; S6-R9 PolarHBondContact O-N 3.41Å; S6-I10 WeakPolarHBondContact O-CG1 3.48Å; S6-I10 PolarHBondContact O-N 2.96Å
7F39.9Very low41.2Very low99 Ų99108.2 Ų108.243%0.43453%0.525SS..Hα-helixtrans-67.8-40.8179.7-173.2-98.4000113.5F3 L4 N11F3-F7 VanDerWaalsContact O-CB 3.3Å; F3-F7 WeakPolarHBondContact O-CB 3.39Å; F3-F7 PolarHBondContact O-N 2.99Å; L4-F7 PolarHBondContact O-N 2.95Å; F7-N11 PolarHBondContact O-N 3.35Å; F7-N11 PolarHBondContact O-ND2 3.46Å
8L42.3Very low42.4Very low116 Ų116105.9 Ų105.961%0.60752%0.522SS*.Hα-helixtrans-69.3-35.8175.1-79.5162.7000111.6L4 C12L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 2.64Å; L8-C12 WeakPolarHBondContact O-CB 2.93Å; L8-C12 PolarHBondContact O-N 2.79Å
9R45.9Very low43.9Very low130 Ų130102.2 Ų102.249%0.49151%0.508SS..Hα-helixtrans-74.2-38.6179.8-73.8-179.8-172.1-165.44113.9E5 S6 N11 C12 L13E5-R9 WeakPolarHBondContact O-CB 3.24Å; E5-R9 VanDerWaalsContact O-CG 3.25Å; E5-R9 WeakPolarHBondContact O-CG 3.36Å; E5-R9 PolarHBondContact O-N 2.69Å; E5-R9 VanDerWaalsContact O-N 3.13Å; S6-R9 PolarHBondContact O-N 3.41Å; R9-N11 VanDerWaalsContact C-N 3.3Å; R9-N11 PolarHBondContact O-N 2.97Å; R9-C12 CarbonylContact O-C 3.41Å; R9-C12 VanDerWaalsContact O-CA 3.3Å; R9-C12 WeakPolarHBondContact O-CA 3.02Å; R9-C12 WeakPolarHBondContact O-CB 3.4Å; R9-C12 PolarHBondContact O-N 3.18Å; R9-L13 PolarHBondContact O-N 3.39Å
10I45.7Very low45.5Very low60 Ų60100.1 Ų100.131%0.30850%0.503SS..Hα-helixtrans-68.4-31.3175.1-67.1170000111.2S6 C12 L13S6-I10 WeakPolarHBondContact O-CG1 3.48Å; S6-I10 PolarHBondContact O-N 2.96Å; I10-C12 VanDerWaalsContact C-N 3.34Å; I10-L13 HydrophobicContact CB-CD1 4.21Å; I10-L13 HydrophobicContact CG1-CD1 4.29Å; I10-L13 HydrophobicContact CG2-CD1 4.01Å; I10-L13 VanDerWaalsContact O-CB 3.22Å; I10-L13 WeakPolarHBondContact O-CB 3.42Å; I10-L13 PolarHBondContact O-N 3.44Å
11N37.9Very low47.3Very low75 Ų7599.2 Ų99.240%0.40150%0.497SS..Hα-helixtrans-75.1-25.3168.2-78.1-53000112.5F7 R9 L13 K14F7-N11 PolarHBondContact O-N 3.35Å; F7-N11 PolarHBondContact O-ND2 3.46Å; R9-N11 VanDerWaalsContact C-N 3.3Å; R9-N11 PolarHBondContact O-N 2.97Å; N11-L13 PolarHBondContact O-N 3.33Å; N11-K14 WeakPolarHBondContact O-CB 3.46Å; N11-K14 PolarHBondContact O-N 3.21Å
12C39.6Very low49.7Very low56 Ų5689.8 Ų89.838%0.37845%0.451SS..Hα-helixtrans-64-24.8168.1-134.30000112.3L8 R9 I10 K14 M15L8-C12 WeakPolarHBondContact O-CB 2.93Å; L8-C12 PolarHBondContact O-N 2.79Å; R9-C12 CarbonylContact O-C 3.41Å; R9-C12 VanDerWaalsContact O-CA 3.3Å; R9-C12 WeakPolarHBondContact O-CA 3.02Å; R9-C12 WeakPolarHBondContact O-CB 3.4Å; R9-C12 PolarHBondContact O-N 3.18Å; I10-C12 VanDerWaalsContact C-N 3.34Å; C12-K14 PolarHBondContact O-N 3.43Å; C12-K14 VanDerWaalsContact O-N 3.09Å; C12-M15 CarbonylContact O-C 3.53Å; C12-M15 WeakPolarHBondContact O-CA 3.35Å; C12-M15 PolarHBondContact O-N 2.71Å
13L38.8Very low52Low47 Ų4782 Ų8225%0.24642%0.424CS..THydrogen-bonded Turntrans-58.3-20.4168.6-63.2165.3000113.1R9 I10 N11 L334R9-L13 PolarHBondContact O-N 3.39Å; I10-L13 HydrophobicContact CB-CD1 4.21Å; I10-L13 HydrophobicContact CG1-CD1 4.29Å; I10-L13 HydrophobicContact CG2-CD1 4.01Å; I10-L13 VanDerWaalsContact O-CB 3.22Å; I10-L13 WeakPolarHBondContact O-CB 3.42Å; I10-L13 PolarHBondContact O-N 3.44Å; N11-L13 PolarHBondContact O-N 3.33Å; L13-L334 HydrophobicContact CD2-CD2 3.43Å; L13-L334 VanDerWaalsContact CD2-CD2 3.43Å
14K37.8Very low54.3Low180 Ų18081.2 Ų81.278%0.78342%0.42SS*.THydrogen-bonded Turntrans-87.7-14.6172.7-67.6-173.7175.8-1790113.5N11 C12 G16N11-K14 WeakPolarHBondContact O-CB 3.46Å; N11-K14 PolarHBondContact O-N 3.21Å; C12-K14 PolarHBondContact O-N 3.43Å; C12-K14 VanDerWaalsContact O-N 3.09Å; K14-G16 PolarHBondContact O-N 3.48Å
15M40.4Very low56.7Low141 Ų14179 Ų7970%0.69541%0.407SS*.SBendtrans-97.577.7175.9-67.4-104-75.300107.4C12 L17C12-M15 CarbonylContact O-C 3.53Å; C12-M15 WeakPolarHBondContact O-CA 3.35Å; C12-M15 PolarHBondContact O-N 2.71Å; M15-L17 PolarHBondContact O-N 2.82Å
16G43Very low59Low43 Ų4374 Ų7444%0.44338%0.384SS..  trans-49.3113.2178.800000110.9K14 S18K14-G16 PolarHBondContact O-N 3.48Å; G16-S18 PolarHBondContact O-N 2.99Å
17L52.5Low61Low32 Ų3274.8 Ų74.817%0.16839%0.392CS..  trans-60.3122.3173.5-63.2163.3000107.1M15 Q21 E341M15-L17 PolarHBondContact O-N 2.82Å; L17-Q21 HydrophobicContact CD2-CG 4.17Å; L17-Q21 VanDerWaalsContact CD2-NE2 3.35Å; L17-E341 HydrophobicContact CD1-CB 3.96Å; L17-E341 HydrophobicContact CD1-CG 3.5Å; L17-E341 VanDerWaalsContact CD1-CG 3.5Å
18S62.7Low63Low67 Ų6773.4 Ų73.447%0.46941%0.405SS..  trans-58.3148174.674.10000109.1G16 S20 Q21G16-S18 PolarHBondContact O-N 2.99Å; S18-S20 PolarHBondContact O-N 3.42Å; S18-S20 PolarHBondContact OG-OG 2.92Å; S18-Q21 PolarHBondContact O-N 3.26Å
19S70.6Confident65Low36 Ų3670.7 Ų70.725%0.25239%0.392SS..Hα-helixtrans-50.4-25.3177.1-52.30000113.2Q21 E23S19-Q21 VanDerWaalsContact C-N 3.34Å; S19-Q21 PolarHBondContact O-N 2.72Å; S19-E23 VanDerWaalsContact O-CB 3.31Å; S19-E23 WeakPolarHBondContact O-CB 3.37Å; S19-E23 PolarHBondContact O-N 3.17Å
20S75.7Confident66.6Low59 Ų5972.5 Ų72.541%0.41341%0.406SS..Hα-helixtrans-67.5-27.2176.478.60000114.5S18 K24S18-S20 PolarHBondContact O-N 3.42Å; S18-S20 PolarHBondContact OG-OG 2.92Å; S20-K24 WeakPolarHBondContact O-CG 3.41Å; S20-K24 PolarHBondContact O-N 2.76Å
21Q84.4Confident68.2Low82 Ų8275.4 Ų75.438%0.38342%0.421SS..Hα-helixtrans-79.8-47.9179.1179.8166.6-1100111.4L17 S18 S19 E23 K24 E25L17-Q21 HydrophobicContact CD2-CG 4.17Å; L17-Q21 VanDerWaalsContact CD2-NE2 3.35Å; S18-Q21 PolarHBondContact O-N 3.26Å; S19-Q21 VanDerWaalsContact C-N 3.34Å; S19-Q21 PolarHBondContact O-N 2.72Å; Q21-E23 PolarHBondContact O-N 3.07Å; Q21-K24 WeakPolarHBondContact O-CB 3.41Å; Q21-K24 PolarHBondContact O-N 3.16Å; Q21-E25 HydrophobicContact CG-CG 4.48Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.19Å; Q21-E25 PolarHBondContact NE2-OE1 2.91Å; Q21-E25 PolarHBondContact O-N 3.24Å
22L88.9Confident70.4Confident1 Ų171.9 Ų71.91%0.00540%0.402CS..Hα-helixtrans-57.6-41.5175.1-17963.3000110.8K24 E25 I26 V99 F333 V340 K342L22-K24 PolarHBondContact O-N 3.05Å; L22-E25 PolarHBondContact O-N 2.78Å; L22-E25 VanDerWaalsContact O-N 3.1Å; L22-I26 HydrophobicContact CD1-CG2 4.03Å; L22-I26 WeakPolarHBondContact O-CG1 3.39Å; L22-I26 PolarHBondContact O-N 2.86Å; L22-V99 HydrophobicContact CB-CG1 4.25Å; L22-V99 HydrophobicContact CB-CG2 4.47Å; L22-V99 HydrophobicContact CD2-CG1 3.81Å; L22-V99 HydrophobicContact CD2-CG2 4.07Å; L22-V99 HydrophobicContact CG-CG1 4.32Å; L22-V99 HydrophobicContact CG-CG2 4.06Å; L22-F333 HydrophobicContact CD1-CD1 4.3Å; L22-F333 HydrophobicContact CD1-CE1 4.1Å; L22-V340 HydrophobicContact CD2-CB 3.69Å; L22-V340 HydrophobicContact CD2-CG1 3.57Å; L22-K342 HydrophobicContact CD1-CB 3.79Å
23E87.4Confident72.2Confident60 Ų6072.9 Ų72.928%0.2841%0.41SS..Hα-helixtrans-57.8-35.9176.5-174.4159.1-152.800112.6S19 Q21 A27 R97 V99S19-E23 VanDerWaalsContact O-CB 3.31Å; S19-E23 WeakPolarHBondContact O-CB 3.37Å; S19-E23 PolarHBondContact O-N 3.17Å; Q21-E23 PolarHBondContact O-N 3.07Å; E23-A27 WeakPolarHBondContact O-CA 3.48Å; E23-A27 WeakPolarHBondContact O-CB 3.34Å; E23-A27 PolarHBondContact O-N 3.29Å; E23-R97 IonicContact OE2-NH2 3.08Å; E23-R97 PolarHBondContact OE2-NH2 3.29Å; E23-R97 VanDerWaalsContact OE2-NH2 3.08Å; E23-V99 HydrophobicContact CB-CB 4.4Å; E23-V99 HydrophobicContact CB-CG2 4.18Å
24K87.6Confident74.4Confident162 Ų16272.7 Ų72.770%0.70442%0.42SS*.Hα-helixtrans-71.9-42172.7-70.5171.5-176.3178.90112.5S20 Q21 L22 I26 A27S20-K24 WeakPolarHBondContact O-CG 3.41Å; S20-K24 PolarHBondContact O-N 2.76Å; Q21-K24 WeakPolarHBondContact O-CB 3.41Å; Q21-K24 PolarHBondContact O-N 3.16Å; L22-K24 PolarHBondContact O-N 3.05Å; K24-I26 VanDerWaalsContact C-N 3.3Å; K24-I26 PolarHBondContact O-N 3.08Å; K24-A27 VanDerWaalsContact O-CB 3.23Å; K24-A27 WeakPolarHBondContact O-CB 3.28Å; K24-A27 PolarHBondContact O-N 3.23Å; K24-A27 VanDerWaalsContact O-N 3.16Å
25E87.2Confident77Confident71 Ų7164.5 Ų64.533%0.33238%0.384SS..Hα-helixtrans-67.3-28.7-177.5-72.8176.6-168.800113.6Q21 L22 K342Q21-E25 HydrophobicContact CG-CG 4.48Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.19Å; Q21-E25 PolarHBondContact NE2-OE1 2.91Å; Q21-E25 PolarHBondContact O-N 3.24Å; L22-E25 PolarHBondContact O-N 2.78Å; L22-E25 VanDerWaalsContact O-N 3.1Å; E25-K342 HydrophobicContact CB-CD 4.47Å
26I88.5Confident79.6Confident0 Ų059.8 Ų59.80%036%0.358CS..THydrogen-bonded Turntrans-99.22175.273179.5000112.7L22 K24 G28 D29 L32 Y37 R98 V99 F333 K342L22-I26 HydrophobicContact CD1-CG2 4.03Å; L22-I26 WeakPolarHBondContact O-CG1 3.39Å; L22-I26 PolarHBondContact O-N 2.86Å; K24-I26 VanDerWaalsContact C-N 3.3Å; K24-I26 PolarHBondContact O-N 3.08Å; I26-G28 VanDerWaalsContact C-N 3.29Å; I26-G28 PolarHBondContact O-N 2.97Å; I26-D29 PolarHBondContact O-N 3.25Å; I26-L32 HydrophobicContact CB-CD1 3.89Å; I26-L32 HydrophobicContact CG2-CD1 3.95Å; I26-Y37 HydrophobicContact CD1-CD2 3.66Å; I26-Y37 HydrophobicContact CD1-CE2 3.91Å; I26-R98 HydrophobicContact CD1-CB 4.41Å; I26-R98 PolarHBondContact O-NH1 3.31Å; I26-R98 VanDerWaalsContact O-NH1 3.08Å; I26-V99 HydrophobicContact CD1-CG2 3.58Å; I26-F333 HydrophobicContact CG2-CE1 3.83Å; I26-F333 HydrophobicContact CG2-CZ 4.09Å; I26-K342 HydrophobicContact CG2-CD 4.45Å
27A83.3Confident82.1Confident54 Ų5457.7 Ų57.745%0.44634%0.337SS..THydrogen-bonded Turntrans-57.5-44.5-169.200000112.3E23 K24 R98E23-A27 WeakPolarHBondContact O-CA 3.48Å; E23-A27 WeakPolarHBondContact O-CB 3.34Å; E23-A27 PolarHBondContact O-N 3.29Å; K24-A27 VanDerWaalsContact O-CB 3.23Å; K24-A27 WeakPolarHBondContact O-CB 3.28Å; K24-A27 PolarHBondContact O-N 3.23Å; K24-A27 VanDerWaalsContact O-N 3.16Å; A27-R98 VanDerWaalsContact CA-NH2 3.28Å; A27-R98 PolarHBondContact O-NH2 2.77Å
28G81.9Confident84.2Confident69 Ų6956.7 Ų56.771%0.71133%0.331SS*.THydrogen-bonded Turntrans-86-8.4-175.600000115.9I26 Q30I26-G28 VanDerWaalsContact C-N 3.29Å; I26-G28 PolarHBondContact O-N 2.97Å; G28-Q30 PolarHBondContact O-N 3.34Å; G28-Q30 VanDerWaalsContact O-N 3.16Å
29D84.7Confident85.8Confident59 Ų5953.5 Ų53.532%0.31631%0.309SS..  trans-83.991.9-179.5-72.2-49.7000110.1I26 L31 L32 L331 K342I26-D29 PolarHBondContact O-N 3.25Å; D29-L31 PolarHBondContact O-N 3.26Å; D29-L32 HydrophobicContact CB-CB 4.37Å; D29-L32 HydrophobicContact CB-CD1 3.78Å; D29-L32 HydrophobicContact CB-CG 3.74Å; D29-L32 WeakPolarHBondContact O-CB 3.24Å; D29-L32 PolarHBondContact O-N 2.7Å; D29-L331 WeakPolarHBondContact OD2-CD1 3.22Å; D29-K342 IonicContact OD2-NZ 2.85Å; D29-K342 PolarHBondContact OD2-NZ 3.43Å
30Q79.8Confident87.1Confident169 Ų16952 Ų5279%0.7930%0.298SS*.G310 helixtrans-58.6-32.1-178.1-68.8-178.21.900113.2G28 L32 S33G28-Q30 PolarHBondContact O-N 3.34Å; G28-Q30 VanDerWaalsContact O-N 3.16Å; Q30-L32 PolarHBondContact O-N 2.89Å; Q30-S33 WeakPolarHBondContact O-CB 3.45Å; Q30-S33 PolarHBondContact O-N 3.3Å; Q30-S33 PolarHBondContact O-OG 3.23Å
31L80Confident88.2Confident121 Ų12150.2 Ų50.263%0.63429%0.285SS*.G310 helixtrans-60.8-23.7176-65.9174.3000112.7D29 H329D29-L31 PolarHBondContact O-N 3.26Å; L31-H329 HydrophobicContact CB-CB 4.23Å; L31-H329 PolarHBondContact O-CE1 3.45Å; L31-H329 PolarHBondContact O-ND1 2.89Å; L31-H329 PolarHBondContact O-NE2 2.94Å
32L83.7Confident88.6Confident1 Ų148.5 Ų48.51%0.00528%0.278CS..G310 helixtrans-90.6-0.4178.8-51.5-173.4000113.3I26 D29 Q30 G34 E35 Y37 H329 L331 F333I26-L32 HydrophobicContact CB-CD1 3.89Å; I26-L32 HydrophobicContact CG2-CD1 3.95Å; D29-L32 HydrophobicContact CB-CB 4.37Å; D29-L32 HydrophobicContact CB-CD1 3.78Å; D29-L32 HydrophobicContact CB-CG 3.74Å; D29-L32 WeakPolarHBondContact O-CB 3.24Å; D29-L32 PolarHBondContact O-N 2.7Å; Q30-L32 PolarHBondContact O-N 2.89Å; L32-G34 VanDerWaalsContact C-N 3.26Å; L32-G34 PolarHBondContact O-N 3.12Å; L32-E35 PolarHBondContact O-N 3.23Å; L32-Y37 HydrophobicContact CB-CE2 4.32Å; L32-Y37 HydrophobicContact CD1-CE2 4.45Å; L32-Y37 WeakPolarHBondContact CD2-OH 3.37Å; L32-H329 HydrophobicContact CD2-CB 3.67Å; L32-H329 WeakPolarHBondContact CD2-ND1 3.48Å; L32-L331 HydrophobicContact CD1-CD1 3.78Å; L32-L331 HydrophobicContact CD2-CD1 4.42Å; L32-L331 HydrophobicContact CG-CD1 4.4Å; L32-F333 HydrophobicContact CD1-CZ 3.96Å
33S76.9Confident88.7Confident76 Ų7651.5 Ų51.553%0.53129%0.292SS..THydrogen-bonded Turntrans-59.1-35.1-174.157.60000113.4Q30 R36Q30-S33 WeakPolarHBondContact O-CB 3.45Å; Q30-S33 PolarHBondContact O-N 3.3Å; Q30-S33 PolarHBondContact O-OG 3.23Å; S33-R36 PolarHBondContact O-NH1 2.88Å
34G85.5Confident88.7Confident44 Ų4450.2 Ų50.245%0.45429%0.294SS..THydrogen-bonded Turntrans-81.5-7.2177.600000115.3L32L32-G34 VanDerWaalsContact C-N 3.26Å; L32-G34 PolarHBondContact O-N 3.12Å
35E92.3Very high88.8Confident7 Ų745.4 Ų45.43%0.03328%0.276CS..  trans-99.7158.6-175.9-66.7-65.9164.700112.1L32 Y37 K60 R63L32-E35 PolarHBondContact O-N 3.23Å; E35-Y37 HydrophobicContact CB-CE2 3.95Å; E35-K60 VanDerWaalsContact OE1-CE 3.3Å; E35-K60 WeakPolarHBondContact OE1-CE 3.3Å; E35-K60 IonicContact OE1-NZ 2.63Å; E35-R63 IonicContact OE1-CZ 3.74Å; E35-R63 IonicContact OE1-NH1 3.23Å; E35-R63 IonicContact OE1-NH2 2.58Å; E35-R63 PolarHBondContact OE1-NH2 2.88Å; E35-R63 IonicContact OE2-CZ 3.51Å; E35-R63 IonicContact OE2-NH1 2.72Å; E35-R63 PolarHBondContact OE2-NH1 3.47Å; E35-R63 IonicContact OE2-NH2 3.89Å; E35-R63 PolarHBondContact OE2-NH2 3.5Å
36R94.4Very high89.1Confident42 Ų4242.1 Ų42.116%0.15826%0.261CS..  trans-130.3119.1-177.7-62.9-63.8-179.9-87.9-0.4109.4S33 F38 V92 Q95 R97S33-R36 PolarHBondContact O-NH1 2.88Å; R36-F38 HydrophobicContact CB-CD2 3.89Å; R36-F38 HydrophobicContact CB-CE2 4.03Å; R36-V92 HydrophobicContact CB-CG1 3.73Å; R36-Q95 PolarHBondContact NE-O 2.91Å; R36-Q95 PolarHBondContact NH2-O 2.89Å; R36-R97 VanDerWaalsContact CD-O 3.23Å; R36-R97 WeakPolarHBondContact CD-O 3.23Å
37Y95.5Very high89.4Confident0 Ų042.4 Ų42.40%026%0.263CS..EExtended strand (participates in β ladder)trans-106.881.1-177-56.6-83.2000109.5I26 L32 E35 F58 R98 V99 G100 S328 F333 F335I26-Y37 HydrophobicContact CD1-CD2 3.66Å; I26-Y37 HydrophobicContact CD1-CE2 3.91Å; L32-Y37 HydrophobicContact CB-CE2 4.32Å; L32-Y37 HydrophobicContact CD1-CE2 4.45Å; L32-Y37 WeakPolarHBondContact CD2-OH 3.37Å; E35-Y37 HydrophobicContact CB-CE2 3.95Å; Y37-F58 HydrophobicContact CD1-CE1 4.23Å; Y37-F58 AromaticContact CD1-CZ 3.89Å; Y37-F58 HydrophobicContact CD1-CZ 3.89Å; Y37-F58 AromaticContact CE1-CE1 3.99Å; Y37-F58 HydrophobicContact CE1-CE1 3.99Å; Y37-F58 HydrophobicContact CE1-CZ 4.12Å; Y37-R98 PolarHBondContact N-O 3.09Å; Y37-V99 WeakPolarHBondContact O-CA 3.45Å; Y37-G100 PolarHBondContact O-N 2.97Å; Y37-S328 WeakPolarHBondContact OH-CB 3.36Å; Y37-S328 PolarHBondContact OH-OG 3.45Å; Y37-F333 AromaticContact CD1-CD1 3.95Å; Y37-F333 HydrophobicContact CD1-CD1 3.95Å; Y37-F333 HydrophobicContact CD1-CD2 4.22Å; Y37-F333 HydrophobicContact CD1-CE1 4.07Å; Y37-F333 HydrophobicContact CD1-CE2 4.35Å; Y37-F333 HydrophobicContact CD1-CG 4.02Å; Y37-F333 HydrophobicContact CD1-CZ 4.27Å; Y37-F333 HydrophobicContact CE1-CD1 4.07Å; Y37-F333 AromaticContact CE1-CD2 3.66Å; Y37-F333 HydrophobicContact CE1-CD2 3.66Å; Y37-F333 AromaticContact CE1-CE1 3.92Å; Y37-F333 HydrophobicContact CE1-CE1 3.92Å; Y37-F333 AromaticContact CE1-CE2 3.51Å; Y37-F333 HydrophobicContact CE1-CE2 3.51Å; Y37-F333 AromaticContact CE1-CG 3.94Å; Y37-F333 HydrophobicContact CE1-CG 3.94Å; Y37-F333 AromaticContact CE1-CZ 3.64Å; Y37-F333 HydrophobicContact CE1-CZ 3.64Å; Y37-F333 HydrophobicContact CE2-CZ 4.43Å; Y37-F333 AromaticContact CZ-CE2 3.88Å; Y37-F333 AromaticContact CZ-CZ 3.74Å; Y37-F335 HydrophobicContact CD1-CZ 4.12Å
38F96.9Very high90Very high10 Ų1040.2 Ų40.24%0.04424%0.243CC..EExtended strand (participates in β ladder)trans-108.8121.7-178.3-77.6-109000110.4R36 Q54 V92 Q95 R97 G100 M102R36-F38 HydrophobicContact CB-CD2 3.89Å; R36-F38 HydrophobicContact CB-CE2 4.03Å; F38-Q54 PolarHBondContact O-NE2 3.28Å; F38-V92 HydrophobicContact CB-CG1 4.21Å; F38-V92 HydrophobicContact CB-CG2 4.48Å; F38-V92 HydrophobicContact CD2-CG1 4.12Å; F38-V92 HydrophobicContact CG-CG1 4.34Å; F38-Q95 HydrophobicContact CD1-CG 4.43Å; F38-Q95 HydrophobicContact CE1-CB 4.17Å; F38-Q95 HydrophobicContact CE1-CG 3.68Å; F38-Q95 HydrophobicContact CE2-CB 3.89Å; F38-Q95 HydrophobicContact CE2-CG 4.09Å; F38-Q95 HydrophobicContact CZ-CB 3.46Å; F38-Q95 VanDerWaalsContact CZ-CB 3.46Å; F38-Q95 HydrophobicContact CZ-CG 3.49Å; F38-Q95 VanDerWaalsContact CZ-CG 3.49Å; F38-R97 VanDerWaalsContact CE2-O 3.27Å; F38-R97 WeakPolarHBondContact CE2-O 3.48Å; F38-R97 HydrophobicContact CZ-CB 4.31Å; F38-R97 WeakPolarHBondContact CZ-O 3.47Å; F38-G100 CarbonylContact C-O 3.53Å; F38-G100 VanDerWaalsContact CA-O 3.28Å; F38-G100 WeakPolarHBondContact CA-O 3.38Å; F38-G100 VanDerWaalsContact CD1-C 3.41Å; F38-M102 HydrophobicContact CB-CG 4.03Å; F38-M102 HydrophobicContact CD1-CE 3.65Å; F38-M102 HydrophobicContact CD1-CG 3.81Å; F38-M102 HydrophobicContact CE1-CE 3.7Å; F38-M102 HydrophobicContact CG-CE 4.5Å; F38-M102 HydrophobicContact CG-CG 4.21Å
39G97.1Very high90.7Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-67.5153.7169.400000111.2G100 Q101 M102 D337G39-G100 PolarHBondContact N-O 3.02Å; G39-Q101 CarbonylContact O-C 3.55Å; G39-Q101 WeakPolarHBondContact O-CA 3.47Å; G39-M102 PolarHBondContact O-N 3.48Å; G39-D337 CarbonylContact C-O 3.51Å; G39-D337 VanDerWaalsContact C-O 3.32Å; G39-D337 WeakPolarHBondContact CA-O 3.47Å
40L98Very high91.3Very high4 Ų434.2 Ų34.22%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-106.3119.9176.5-65.3178.4000110.1N42 N50 I53 Q54 L88 M102 P104 D337 E338L40-N42 PolarHBondContact O-N 3.19Å; L40-N50 HydrophobicContact CB-CB 4.08Å; L40-N50 WeakPolarHBondContact CB-OD1 3.43Å; L40-N50 HydrophobicContact CD1-CB 4.3Å; L40-N50 PolarHBondContact O-ND2 2.94Å; L40-N50 VanDerWaalsContact O-ND2 3.09Å; L40-I53 HydrophobicContact CD1-CB 3.94Å; L40-I53 HydrophobicContact CD1-CG2 3.65Å; L40-Q54 HydrophobicContact CD1-CG 4.1Å; L40-Q54 HydrophobicContact CG-CG 4.42Å; L40-L88 HydrophobicContact CD2-CD1 4.18Å; L40-M102 WeakPolarHBondContact CA-O 3.37Å; L40-M102 HydrophobicContact CD2-CB 3.9Å; L40-P104 HydrophobicContact CB-CG 4.25Å; L40-P104 HydrophobicContact CD2-CG 4.33Å; L40-D337 PolarHBondContact N-O 3.03Å; L40-D337 CarbonylContact O-C 3.6Å; L40-D337 VanDerWaalsContact O-CA 3.27Å; L40-D337 WeakPolarHBondContact O-CA 3.31Å; L40-D337 WeakPolarHBondContact O-CB 3.41Å; L40-E338 PolarHBondContact O-N 3.27Å
41V97.4Very high92.2Very high22 Ų2226.4 Ų26.413%0.13316%0.159CC..  trans-60.5132.1179.61770000110.6F43 Q101 M102 R103 E338V41-F43 HydrophobicContact CB-CE2 4.2Å; V41-F43 HydrophobicContact CG1-CE2 4.3Å; V41-F43 HydrophobicContact CG1-CZ 4.42Å; V41-F43 VanDerWaalsContact O-CD2 3.22Å; V41-F43 WeakPolarHBondContact O-CD2 3.15Å; V41-F43 WeakPolarHBondContact O-CE2 3.48Å; V41-Q101 HydrophobicContact CG2-CB 4.47Å; V41-M102 PolarHBondContact N-O 3.1Å; V41-R103 HydrophobicContact CB-CG 3.99Å; V41-R103 HydrophobicContact CG1-CG 4.47Å; V41-R103 HydrophobicContact CG2-CG 3.72Å; V41-E338 WeakPolarHBondContact CA-OE2 3.2Å; V41-E338 HydrophobicContact CG2-CB 4.29Å
42N93.8Very high93.1Very high46 Ų4620.6 Ų20.625%0.24613%0.129CC..  trans-76130.5177.1-166.2-49.9000111.1L40 G44 N45 T46 D337 E338L40-N42 PolarHBondContact O-N 3.19Å; N42-G44 PolarHBondContact OD1-N 3.26Å; N42-N45 PolarHBondContact OD1-N 3.36Å; N42-N45 VanDerWaalsContact OD1-N 3.11Å; N42-T46 PolarHBondContact OD1-N 2.9Å; N42-T46 PolarHBondContact OD1-OG1 2.97Å; N42-D337 HydrophobicContact CB-CB 4.19Å; N42-D337 WeakPolarHBondContact CB-OD2 3.34Å; N42-D337 PolarHBondContact ND2-OD2 2.85Å; N42-E338 PolarHBondContact N-OE2 3.39Å
43F91.3Very high93.8Very high65 Ų6520.7 Ų20.729%0.28513%0.129SC..  trans-108.743.6179.5-74.5-84.8000112.4V41 T46 R103 P104 K105 I108V41-F43 HydrophobicContact CB-CE2 4.2Å; V41-F43 HydrophobicContact CG1-CE2 4.3Å; V41-F43 HydrophobicContact CG1-CZ 4.42Å; V41-F43 VanDerWaalsContact O-CD2 3.22Å; V41-F43 WeakPolarHBondContact O-CD2 3.15Å; V41-F43 WeakPolarHBondContact O-CE2 3.48Å; F43-T46 HydrophobicContact CB-CG2 3.94Å; F43-T46 PolarHBondContact N-OG1 3.14Å; F43-R103 HydrophobicContact CE2-CB 4.23Å; F43-R103 HydrophobicContact CZ-CB 3.92Å; F43-R103 HydrophobicContact CZ-CG 4.14Å; F43-P104 HydrophobicContact CD2-CG 4.34Å; F43-P104 HydrophobicContact CE2-CG 4.18Å; F43-K105 HydrophobicContact CE1-CB 4.33Å; F43-K105 HydrophobicContact CE1-CG 4.4Å; F43-K105 HydrophobicContact CE2-CB 4.47Å; F43-K105 HydrophobicContact CZ-CB 3.96Å; F43-I108 HydrophobicContact CB-CG2 4.48Å; F43-I108 HydrophobicContact CD2-CG1 4.48Å
44G86.8Confident94.8Very high33 Ų3317.5 Ų17.534%0.3411%0.106SC..SBendtrans80.691.5179.400000111.8N42 T46N42-G44 PolarHBondContact OD1-N 3.26Å; G44-T46 VanDerWaalsContact C-N 3.31Å; G44-T46 PolarHBondContact O-N 2.93Å
45N89.8Confident95.4Very high61 Ų6115.4 Ų15.433%0.3268%0.084SC..SBendtrans61.232-177.9-66.1-40.2000114.1N42 Y48 Y121 Q123N42-N45 PolarHBondContact OD1-N 3.36Å; N42-N45 VanDerWaalsContact OD1-N 3.11Å; N45-Y48 WeakPolarHBondContact O-CD1 3.38Å; N45-Y48 WeakPolarHBondContact O-CE1 3.46Å; N45-Y121 PolarHBondContact ND2-O 3.28Å; N45-Q123 HydrophobicContact CB-CG 4.16Å
46T94.1Very high95.7Very high2 Ų215.1 Ų15.11%0.0128%0.083CC..  trans-94.811177.264.40000114N42 F43 G44 Y48 C49 N50 I108N42-T46 PolarHBondContact OD1-N 2.9Å; N42-T46 PolarHBondContact OD1-OG1 2.97Å; F43-T46 HydrophobicContact CB-CG2 3.94Å; F43-T46 PolarHBondContact N-OG1 3.14Å; G44-T46 VanDerWaalsContact C-N 3.31Å; G44-T46 PolarHBondContact O-N 2.93Å; T46-Y48 VanDerWaalsContact C-N 3.28Å; T46-Y48 PolarHBondContact O-N 3.29Å; T46-C49 WeakPolarHBondContact O-CA 3.5Å; T46-C49 VanDerWaalsContact O-CB 3.29Å; T46-C49 WeakPolarHBondContact O-CB 3.43Å; T46-C49 PolarHBondContact O-N 2.87Å; T46-N50 PolarHBondContact O-N 3.25Å; T46-I108 HydrophobicContact CG2-CD1 4.12Å; T46-I108 HydrophobicContact CG2-CG2 4.18Å
47C95.3Very high95.9Very high6 Ų613.4 Ų13.44%0.0418%0.077CC..Hα-helixtrans-62.5-33.6-177.355.40000112.8C49 N50 S51 H321 D337C47-C49 PolarHBondContact O-N 3.47Å; C47-N50 PolarHBondContact O-N 2.99Å; C47-S51 VanDerWaalsContact O-CB 3.28Å; C47-S51 WeakPolarHBondContact O-CB 3.46Å; C47-S51 PolarHBondContact O-N 3.12Å; C47-S51 PolarHBondContact O-OG 3.04Å; C47-S51 VanDerWaalsContact O-OG 3.1Å; C47-H321 PolarHBondContact SG-ND1 2.85Å; C47-H321 VanDerWaalsContact SG-ND1 3.38Å; C47-D337 WeakPolarHBondContact CA-OD1 3.44Å; C47-D337 WeakPolarHBondContact CB-OD1 3.36Å
48Y95.1Very high96Very high8 Ų814.2 Ų14.23%0.0318%0.08CC..Hα-helixtrans-57.2-35.7172.274.7-88000112.5N45 T46 S51 V52 F118 Q124 F129N45-Y48 WeakPolarHBondContact O-CD1 3.38Å; N45-Y48 WeakPolarHBondContact O-CE1 3.46Å; T46-Y48 VanDerWaalsContact C-N 3.28Å; T46-Y48 PolarHBondContact O-N 3.29Å; Y48-S51 PolarHBondContact O-OG 3.46Å; Y48-V52 WeakPolarHBondContact O-CG2 3.25Å; Y48-F118 AromaticContact CE2-CD1 3.86Å; Y48-F118 HydrophobicContact CE2-CD1 3.86Å; Y48-F118 HydrophobicContact CE2-CE1 4.05Å; Y48-F118 AromaticContact CZ-CD1 3.96Å; Y48-F118 WeakPolarHBondContact OH-CD1 3.3Å; Y48-Q124 WeakPolarHBondContact CB-O 3.39Å; Y48-Q124 HydrophobicContact CD1-CB 3.76Å; Y48-Q124 HydrophobicContact CD1-CG 4.34Å; Y48-Q124 HydrophobicContact CD2-CB 3.85Å; Y48-Q124 HydrophobicContact CE1-CB 3.67Å; Y48-Q124 HydrophobicContact CE1-CG 3.81Å; Y48-Q124 HydrophobicContact CE2-CB 3.78Å; Y48-Q124 HydrophobicContact CE2-CG 4.39Å; Y48-Q124 HydrophobicContact CG-CB 3.86Å; Y48-F129 HydrophobicContact CD2-CB 3.64Å; Y48-F129 HydrophobicContact CD2-CD1 4.3Å; Y48-F129 AromaticContact CD2-CG 3.91Å; Y48-F129 HydrophobicContact CD2-CG 3.91Å; Y48-F129 HydrophobicContact CE2-CB 3.78Å; Y48-F129 HydrophobicContact CE2-CD1 4.49Å; Y48-F129 HydrophobicContact CE2-CD2 4.04Å; Y48-F129 AromaticContact CE2-CG 3.83Å; Y48-F129 HydrophobicContact CE2-CG 3.83Å
49C96.6Very high96Very high0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-79.1-49.6-179.8-177.80000110T46 C47 S51 V52 I53 I108 F129T46-C49 WeakPolarHBondContact O-CA 3.5Å; T46-C49 VanDerWaalsContact O-CB 3.29Å; T46-C49 WeakPolarHBondContact O-CB 3.43Å; T46-C49 PolarHBondContact O-N 2.87Å; C47-C49 PolarHBondContact O-N 3.47Å; C49-S51 VanDerWaalsContact C-N 3.31Å; C49-S51 PolarHBondContact O-N 3.05Å; C49-V52 PolarHBondContact O-N 3.26Å; C49-I53 VanDerWaalsContact O-CG1 3.3Å; C49-I53 WeakPolarHBondContact O-CG1 3.28Å; C49-I53 PolarHBondContact O-N 3.3Å; C49-I53 VanDerWaalsContact SG-CD1 3.54Å; C49-I108 HydrophobicContact CB-CD1 4.19Å; C49-I108 VanDerWaalsContact SG-CD1 3.58Å; C49-F129 HydrophobicContact CB-CD1 4.37Å; C49-F129 HydrophobicContact CB-CE1 4.11Å; C49-F129 HydrophobicContact CB-CZ 4.25Å; C49-F129 WeakPolarHBondContact SG-CZ 3.36Å
50N97.9Very high95.9Very high2 Ų215.4 Ų15.41%0.0119%0.085CC..Hα-helixtrans-56.3-46.1177.7-71.3-15.9000111.1L40 T46 C47 V52 I53 Q54 D337L40-N50 HydrophobicContact CB-CB 4.08Å; L40-N50 WeakPolarHBondContact CB-OD1 3.43Å; L40-N50 HydrophobicContact CD1-CB 4.3Å; L40-N50 PolarHBondContact O-ND2 2.94Å; L40-N50 VanDerWaalsContact O-ND2 3.09Å; T46-N50 PolarHBondContact O-N 3.25Å; C47-N50 PolarHBondContact O-N 2.99Å; N50-V52 VanDerWaalsContact C-N 3.34Å; N50-V52 PolarHBondContact O-N 3.49Å; N50-I53 PolarHBondContact O-N 3.34Å; N50-Q54 WeakPolarHBondContact O-CB 2.89Å; N50-Q54 WeakPolarHBondContact O-CG 3.45Å; N50-Q54 PolarHBondContact O-N 2.86Å; N50-D337 PolarHBondContact ND2-OD1 3.21Å
51S98.1Very high95.8Very high4 Ų416.2 Ų16.23%0.0289%0.091CC..Hα-helixtrans-59.7-44.7-178.364.50000112.1C47 Y48 C49 A55 Y322 T324C47-S51 VanDerWaalsContact O-CB 3.28Å; C47-S51 WeakPolarHBondContact O-CB 3.46Å; C47-S51 PolarHBondContact O-N 3.12Å; C47-S51 PolarHBondContact O-OG 3.04Å; C47-S51 VanDerWaalsContact O-OG 3.1Å; Y48-S51 PolarHBondContact O-OG 3.46Å; C49-S51 VanDerWaalsContact C-N 3.31Å; C49-S51 PolarHBondContact O-N 3.05Å; S51-A55 PolarHBondContact O-N 3.28Å; S51-A55 VanDerWaalsContact O-N 3.09Å; S51-Y322 WeakPolarHBondContact OG-CB 3.35Å; S51-T324 WeakPolarHBondContact CA-OG1 3.25Å; S51-T324 WeakPolarHBondContact CB-OG1 3.45Å; S51-T324 PolarHBondContact O-OG1 2.95Å
52V98.6Very high95.8Very high0 Ų015.2 Ų15.20%09%0.085CC..Hα-helixtrans-69.6-43.8178.7170.20000111.3Y48 C49 N50 Q54 A55 L56 A126 F129 L130 V310Y48-V52 WeakPolarHBondContact O-CG2 3.25Å; C49-V52 PolarHBondContact O-N 3.26Å; N50-V52 VanDerWaalsContact C-N 3.34Å; N50-V52 PolarHBondContact O-N 3.49Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.43Å; V52-A55 PolarHBondContact O-N 3.23Å; V52-L56 HydrophobicContact CG1-CD1 3.8Å; V52-L56 HydrophobicContact CG1-CG 4.26Å; V52-L56 WeakPolarHBondContact O-CB 3.27Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.45Å; V52-L56 PolarHBondContact O-N 3.42Å; V52-A126 HydrophobicContact CG2-CB 3.98Å; V52-A126 WeakPolarHBondContact CG2-O 3.31Å; V52-F129 HydrophobicContact CB-CD1 3.68Å; V52-F129 HydrophobicContact CB-CE1 3.75Å; V52-F129 HydrophobicContact CG1-CD1 3.85Å; V52-F129 HydrophobicContact CG1-CE1 3.77Å; V52-F129 HydrophobicContact CG2-CD1 3.97Å; V52-L130 HydrophobicContact CG1-CB 4.03Å; V52-L130 HydrophobicContact CG1-CD1 3.8Å; V52-L130 HydrophobicContact CG2-CB 4.33Å; V52-V310 HydrophobicContact CG2-CG2 4.43Å
53I98.6Very high96Very high3 Ų314.1 Ų14.12%0.0158%0.077CC..Hα-helixtrans-60.2-42.3177.3-68.7173.4000110.6L40 C49 N50 L56 F57 L85 L88 F89 F107 F129L40-I53 HydrophobicContact CD1-CB 3.94Å; L40-I53 HydrophobicContact CD1-CG2 3.65Å; C49-I53 VanDerWaalsContact O-CG1 3.3Å; C49-I53 WeakPolarHBondContact O-CG1 3.28Å; C49-I53 PolarHBondContact O-N 3.3Å; C49-I53 VanDerWaalsContact SG-CD1 3.54Å; N50-I53 PolarHBondContact O-N 3.34Å; I53-L56 PolarHBondContact O-N 3.04Å; I53-F57 VanDerWaalsContact O-CB 3.32Å; I53-F57 WeakPolarHBondContact O-CB 3.5Å; I53-F57 PolarHBondContact O-N 3.23Å; I53-L85 HydrophobicContact CG1-CD1 4.49Å; I53-L85 HydrophobicContact CG2-CD1 4.35Å; I53-L88 HydrophobicContact CD1-CD2 4.4Å; I53-L88 HydrophobicContact CG2-CD2 4.01Å; I53-F89 HydrophobicContact CG2-CE1 3.93Å; I53-F107 HydrophobicContact CD1-CD1 3.71Å; I53-F107 HydrophobicContact CD1-CE1 3.51Å; I53-F107 HydrophobicContact CD1-CG 4.45Å; I53-F107 HydrophobicContact CD1-CZ 4.06Å; I53-F107 HydrophobicContact CG1-CE1 4.46Å; I53-F129 HydrophobicContact CG1-CE1 4.29Å; I53-F129 HydrophobicContact CG1-CZ 4.38Å
54Q98.3Very high96.2Very high9 Ų913.8 Ų13.84%0.0428%0.078CC..Hα-helixtrans-62-46.4176.5-68.5-70.722.600111.5F38 L40 N50 V52 L56 F57 F58 T324 F335F38-Q54 PolarHBondContact O-NE2 3.28Å; L40-Q54 HydrophobicContact CD1-CG 4.1Å; L40-Q54 HydrophobicContact CG-CG 4.42Å; N50-Q54 WeakPolarHBondContact O-CB 2.89Å; N50-Q54 WeakPolarHBondContact O-CG 3.45Å; N50-Q54 PolarHBondContact O-N 2.86Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.43Å; Q54-L56 VanDerWaalsContact C-N 3.32Å; Q54-L56 PolarHBondContact O-N 3.15Å; Q54-F57 PolarHBondContact O-N 3.15Å; Q54-F58 WeakPolarHBondContact O-CD2 3.37Å; Q54-F58 PolarHBondContact O-N 2.67Å; Q54-T324 HydrophobicContact CB-CG2 4.31Å; Q54-F335 HydrophobicContact CB-CB 4.47Å; Q54-F335 HydrophobicContact CB-CG 4.48Å; Q54-F335 HydrophobicContact CG-CB 4.15Å; Q54-F335 HydrophobicContact CG-CD1 4.18Å; Q54-F335 HydrophobicContact CG-CG 4.26Å; Q54-F335 VanDerWaalsContact NE2-CD1 3.25Å
55A98.6Very high96.7Very high0 Ų015.6 Ų15.60%08%0.077CC..Hα-helixtrans-59.6-43.8177.200000111.8S51 V52 C59 A308 V310 T324 F369S51-A55 PolarHBondContact O-N 3.28Å; S51-A55 VanDerWaalsContact O-N 3.09Å; V52-A55 PolarHBondContact O-N 3.23Å; A55-C59 PolarHBondContact O-N 3.33Å; A55-A308 HydrophobicContact CB-CB 3.9Å; A55-V310 HydrophobicContact CB-CG2 4.17Å; A55-T324 HydrophobicContact CB-CG2 3.85Å; A55-F369 HydrophobicContact CB-CD2 3.92Å; A55-F369 HydrophobicContact CB-CE2 3.67Å; A55-F369 HydrophobicContact CB-CG 4.46Å; A55-F369 HydrophobicContact CB-CZ 4Å
56L98.5Very high97Very high1 Ų112.7 Ų12.71%0.0056%0.061CC..Hα-helixtrans-70.4-35.7179.2-69.5177.1000113V52 I53 Q54 F58 C59 F62 L130 L133 F180 F369V52-L56 HydrophobicContact CG1-CD1 3.8Å; V52-L56 HydrophobicContact CG1-CG 4.26Å; V52-L56 WeakPolarHBondContact O-CB 3.27Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.45Å; V52-L56 PolarHBondContact O-N 3.42Å; I53-L56 PolarHBondContact O-N 3.04Å; Q54-L56 VanDerWaalsContact C-N 3.32Å; Q54-L56 PolarHBondContact O-N 3.15Å; L56-F58 VanDerWaalsContact C-N 3.3Å; L56-F58 PolarHBondContact O-N 3.46Å; L56-C59 WeakPolarHBondContact O-CB 3.23Å; L56-C59 PolarHBondContact O-N 3.09Å; L56-C59 VanDerWaalsContact O-N 3.13Å; L56-F62 HydrophobicContact CB-CD1 3.82Å; L56-F62 HydrophobicContact CB-CE1 3.73Å; L56-F62 HydrophobicContact CB-CZ 4.49Å; L56-F62 HydrophobicContact CD1-CE1 4.18Å; L56-F62 HydrophobicContact CD1-CZ 4.16Å; L56-F62 HydrophobicContact CD2-CD1 4.47Å; L56-F62 HydrophobicContact CG-CE1 4.38Å; L56-F62 WeakPolarHBondContact O-CD1 3.4Å; L56-L130 HydrophobicContact CD1-CD1 4.15Å; L56-L130 HydrophobicContact CD2-CD1 4.24Å; L56-L130 HydrophobicContact CG-CD1 4.47Å; L56-L133 HydrophobicContact CD1-CD2 3.69Å; L56-F180 HydrophobicContact CD2-CE1 4.16Å; L56-F180 HydrophobicContact CD2-CZ 3.61Å; L56-F369 HydrophobicContact CD2-CE1 4.07Å
57F98.1Very high97Very high6 Ų614.1 Ų14.13%0.0267%0.069CC..Hα-helixtrans-61.9-38.6176.7177.1-100.4000111.7I53 Q54 C59 R63 F89 V92 V93I53-F57 VanDerWaalsContact O-CB 3.32Å; I53-F57 WeakPolarHBondContact O-CB 3.5Å; I53-F57 PolarHBondContact O-N 3.23Å; Q54-F57 PolarHBondContact O-N 3.15Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.11Å; F57-R63 HydrophobicContact CD2-CG 4.37Å; F57-R63 HydrophobicContact CE2-CG 4.31Å; F57-R63 WeakPolarHBondContact O-CB 3.44Å; F57-R63 VanDerWaalsContact O-CD 3.25Å; F57-R63 WeakPolarHBondContact O-CD 3.44Å; F57-F89 HydrophobicContact CB-CE1 3.84Å; F57-F89 HydrophobicContact CB-CE2 4.4Å; F57-F89 HydrophobicContact CB-CZ 3.77Å; F57-F89 HydrophobicContact CD2-CB 4.34Å; F57-F89 AromaticContact CD2-CD1 3.68Å; F57-F89 HydrophobicContact CD2-CD1 3.68Å; F57-F89 AromaticContact CD2-CD2 3.97Å; F57-F89 HydrophobicContact CD2-CD2 3.97Å; F57-F89 AromaticContact CD2-CE1 3.82Å; F57-F89 HydrophobicContact CD2-CE1 3.82Å; F57-F89 HydrophobicContact CD2-CE2 4.14Å; F57-F89 AromaticContact CD2-CG 3.75Å; F57-F89 HydrophobicContact CD2-CG 3.75Å; F57-F89 HydrophobicContact CD2-CZ 4.06Å; F57-F89 HydrophobicContact CE2-CB 4.39Å; F57-F89 HydrophobicContact CE2-CD1 4.45Å; F57-F89 HydrophobicContact CE2-CG 4.27Å; F57-F89 HydrophobicContact CG-CE1 4.31Å; F57-F89 HydrophobicContact CG-CZ 4.43Å; F57-V92 HydrophobicContact CE1-CG1 3.94Å; F57-V92 HydrophobicContact CE2-CB 4.04Å; F57-V92 HydrophobicContact CE2-CG1 3.94Å; F57-V92 HydrophobicContact CZ-CB 4.03Å; F57-V92 HydrophobicContact CZ-CG1 3.41Å; F57-V92 VanDerWaalsContact CZ-CG1 3.41Å; F57-V93 HydrophobicContact CE2-CG2 4.02Å; F57-V93 HydrophobicContact CZ-CG2 4Å
58F96.9Very high96.8Very high16 Ų1618.6 Ų18.67%0.079%0.089CC..THydrogen-bonded Turntrans-84-3.3177.1-75.4-86.3000114Y37 Q54 L56 K60 M307 V326 F335Y37-F58 HydrophobicContact CD1-CE1 4.23Å; Y37-F58 AromaticContact CD1-CZ 3.89Å; Y37-F58 HydrophobicContact CD1-CZ 3.89Å; Y37-F58 AromaticContact CE1-CE1 3.99Å; Y37-F58 HydrophobicContact CE1-CE1 3.99Å; Y37-F58 HydrophobicContact CE1-CZ 4.12Å; Q54-F58 WeakPolarHBondContact O-CD2 3.37Å; Q54-F58 PolarHBondContact O-N 2.67Å; L56-F58 VanDerWaalsContact C-N 3.3Å; L56-F58 PolarHBondContact O-N 3.46Å; F58-K60 PolarHBondContact O-N 3.21Å; F58-K60 VanDerWaalsContact O-N 3.11Å; F58-M307 VanDerWaalsContact C-CE 3.49Å; F58-M307 HydrophobicContact CB-CE 4.48Å; F58-M307 WeakPolarHBondContact O-CE 3.41Å; F58-V326 HydrophobicContact CB-CG1 3.4Å; F58-V326 VanDerWaalsContact CB-CG1 3.4Å; F58-V326 HydrophobicContact CB-CG2 4.34Å; F58-V326 HydrophobicContact CD1-CG1 3.58Å; F58-V326 HydrophobicContact CD2-CB 4.26Å; F58-V326 HydrophobicContact CD2-CG1 3.59Å; F58-V326 HydrophobicContact CD2-CG2 3.85Å; F58-V326 HydrophobicContact CE1-CG1 4.2Å; F58-V326 HydrophobicContact CE2-CG1 4.22Å; F58-V326 HydrophobicContact CE2-CG2 4.49Å; F58-V326 HydrophobicContact CG-CB 4.34Å; F58-V326 HydrophobicContact CG-CG1 3.24Å; F58-V326 HydrophobicContact CG-CG2 4.26Å; F58-V326 HydrophobicContact CZ-CG1 4.49Å; F58-F335 HydrophobicContact CD2-CE2 4.47Å; F58-F335 HydrophobicContact CD2-CZ 4.39Å; F58-F335 HydrophobicContact CE2-CE1 4.07Å; F58-F335 AromaticContact CE2-CE2 3.81Å; F58-F335 HydrophobicContact CE2-CE2 3.81Å; F58-F335 AromaticContact CE2-CZ 3.36Å; F58-F335 HydrophobicContact CE2-CZ 3.36Å; F58-F335 HydrophobicContact CZ-CE2 4.26Å; F58-F335 AromaticContact CZ-CZ 3.64Å; F58-F335 HydrophobicContact CZ-CZ 3.64Å
59C96.3Very high96.6Very high0 Ų019 Ų190%09%0.09CC..  trans-7792.8164.6167.20000108.7A55 L56 F57 F62 R63 L258 M307A55-C59 PolarHBondContact O-N 3.33Å; L56-C59 WeakPolarHBondContact O-CB 3.23Å; L56-C59 PolarHBondContact O-N 3.09Å; L56-C59 VanDerWaalsContact O-N 3.13Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.11Å; C59-F62 HydrophobicContact CB-CB 4.04Å; C59-F62 WeakPolarHBondContact O-CA 3.1Å; C59-F62 WeakPolarHBondContact O-CB 3.27Å; C59-F62 PolarHBondContact O-N 2.57Å; C59-F62 WeakPolarHBondContact SG-CB 3.29Å; C59-R63 PolarHBondContact O-N 2.72Å; C59-L258 HydrophobicContact CB-CD1 3.77Å; C59-L258 WeakPolarHBondContact SG-CD1 3.48Å; C59-M307 VanDerWaalsContact CA-CE 3.49Å; C59-M307 HydrophobicContact CB-CE 3.75Å; C59-M307 HydrophobicContact CB-SD 3.9Å
60K95.1Very high95.7Very high35 Ų3520.3 Ų20.315%0.15210%0.098CC..Hα-helixtrans-49.3-48.3-177.7-65-173.9176.2173.60113.7E35 F58 F62 R63 D64 T379E35-K60 VanDerWaalsContact OE1-CE 3.3Å; E35-K60 WeakPolarHBondContact OE1-CE 3.3Å; E35-K60 IonicContact OE1-NZ 2.63Å; F58-K60 PolarHBondContact O-N 3.21Å; F58-K60 VanDerWaalsContact O-N 3.11Å; K60-F62 PolarHBondContact O-N 3.42Å; K60-F62 VanDerWaalsContact O-N 3.16Å; K60-R63 PolarHBondContact O-N 3.43Å; K60-D64 WeakPolarHBondContact O-CB 3.48Å; K60-D64 PolarHBondContact O-N 3.28Å; K60-T379 HydrophobicContact CB-CG2 3.73Å; K60-T379 HydrophobicContact CD-CG2 3.24Å; K60-T379 HydrophobicContact CG-CG2 4.11Å; K60-T379 PolarHBondContact NZ-O 3.5Å
61P96.9Very high94.3Very high22 Ų2224 Ų2414%0.14312%0.117CC..Hα-helixtrans-56.2-34.6176.1-26.835.1000114.6K65 I179 L257 L371 V375P61-K65 VanDerWaalsContact O-CG 3.28Å; P61-K65 WeakPolarHBondContact O-CG 3.33Å; P61-I179 HydrophobicContact CB-CD1 4.25Å; P61-I179 HydrophobicContact CB-CG1 4.31Å; P61-I179 WeakPolarHBondContact O-CD1 3.5Å; P61-L257 HydrophobicContact CB-CD2 4.11Å; P61-L257 HydrophobicContact CG-CD2 3.92Å; P61-L371 HydrophobicContact CG-CD1 4.17Å; P61-V375 HydrophobicContact CG-CG1 4Å
62F97.9Very high92.6Very high0 Ų033.1 Ų33.10%015%0.151CC..Hα-helixtrans-79.1-48.2177.5179-95.1000111.1L56 C59 K60 D64 K65 V66 L85 F89 L134 I137 W175 I176 I179 F180L56-F62 HydrophobicContact CB-CD1 3.82Å; L56-F62 HydrophobicContact CB-CE1 3.73Å; L56-F62 HydrophobicContact CB-CZ 4.49Å; L56-F62 HydrophobicContact CD1-CE1 4.18Å; L56-F62 HydrophobicContact CD1-CZ 4.16Å; L56-F62 HydrophobicContact CD2-CD1 4.47Å; L56-F62 HydrophobicContact CG-CE1 4.38Å; L56-F62 WeakPolarHBondContact O-CD1 3.4Å; C59-F62 HydrophobicContact CB-CB 4.04Å; C59-F62 WeakPolarHBondContact O-CA 3.1Å; C59-F62 WeakPolarHBondContact O-CB 3.27Å; C59-F62 PolarHBondContact O-N 2.57Å; C59-F62 WeakPolarHBondContact SG-CB 3.29Å; K60-F62 PolarHBondContact O-N 3.42Å; K60-F62 VanDerWaalsContact O-N 3.16Å; F62-D64 VanDerWaalsContact C-N 3.29Å; F62-D64 PolarHBondContact O-N 3.25Å; F62-K65 PolarHBondContact O-N 2.72Å; F62-V66 HydrophobicContact CD1-CG2 4.02Å; F62-V66 HydrophobicContact CE1-CG2 3.65Å; F62-V66 HydrophobicContact CE2-CG2 4.23Å; F62-V66 HydrophobicContact CG-CG2 4.46Å; F62-V66 HydrophobicContact CZ-CG2 3.78Å; F62-V66 WeakPolarHBondContact O-CG2 3.3Å; F62-V66 PolarHBondContact O-N 3.21Å; F62-L85 HydrophobicContact CE1-CD2 4.04Å; F62-L85 HydrophobicContact CZ-CD2 3.89Å; F62-F89 AromaticContact CD1-CE2 3.94Å; F62-F89 HydrophobicContact CD1-CE2 3.94Å; F62-F89 HydrophobicContact CD1-CZ 4.32Å; F62-F89 AromaticContact CE1-CE2 3.85Å; F62-F89 HydrophobicContact CE1-CE2 3.85Å; F62-F89 AromaticContact CE1-CZ 3.97Å; F62-F89 HydrophobicContact CE1-CZ 3.97Å; F62-L134 HydrophobicContact CE2-CD2 4.14Å; F62-I137 HydrophobicContact CE2-CD1 4.4Å; F62-I137 HydrophobicContact CZ-CD1 4.03Å; F62-W175 AromaticContact CD2-CZ3 3.83Å; F62-W175 HydrophobicContact CD2-CZ3 3.83Å; F62-W175 HydrophobicContact CE2-CH2 4.25Å; F62-W175 AromaticContact CE2-CZ3 3.85Å; F62-W175 HydrophobicContact CE2-CZ3 3.85Å; F62-I176 HydrophobicContact CD2-CD1 4.29Å; F62-I176 HydrophobicContact CE2-CD1 3.76Å; F62-I179 HydrophobicContact CB-CD1 4.3Å; F62-F180 AromaticContact CD2-CE2 3.7Å; F62-F180 HydrophobicContact CD2-CE2 3.7Å; F62-F180 HydrophobicContact CD2-CZ 4.25Å; F62-F180 HydrophobicContact CE2-CE2 4.3Å; F62-F180 HydrophobicContact CG-CE2 4.4Å
63R97.2Very high90.9Very high24 Ų2434.3 Ų34.39%0.09116%0.161CC..Hα-helixtrans-52.1-48.3176.1178.2174.766.1-170.110.5111.4E35 F57 C59 K60 K65 V66 L67 F89E35-R63 IonicContact OE1-CZ 3.74Å; E35-R63 IonicContact OE1-NH1 3.23Å; E35-R63 IonicContact OE1-NH2 2.58Å; E35-R63 PolarHBondContact OE1-NH2 2.88Å; E35-R63 IonicContact OE2-CZ 3.51Å; E35-R63 IonicContact OE2-NH1 2.72Å; E35-R63 PolarHBondContact OE2-NH1 3.47Å; E35-R63 IonicContact OE2-NH2 3.89Å; E35-R63 PolarHBondContact OE2-NH2 3.5Å; F57-R63 HydrophobicContact CD2-CG 4.37Å; F57-R63 HydrophobicContact CE2-CG 4.31Å; F57-R63 WeakPolarHBondContact O-CB 3.44Å; F57-R63 VanDerWaalsContact O-CD 3.25Å; F57-R63 WeakPolarHBondContact O-CD 3.44Å; C59-R63 PolarHBondContact O-N 2.72Å; K60-R63 PolarHBondContact O-N 3.43Å; R63-K65 PolarHBondContact O-N 3.35Å; R63-V66 PolarHBondContact O-N 3.22Å; R63-L67 HydrophobicContact CG-CD1 3.75Å; R63-L67 HydrophobicContact CG-CG 4.31Å; R63-L67 WeakPolarHBondContact O-CB 3.34Å; R63-L67 WeakPolarHBondContact O-CG 3.5Å; R63-L67 PolarHBondContact O-N 3.4Å; R63-F89 HydrophobicContact CB-CD2 4.48Å; R63-F89 HydrophobicContact CB-CE2 4.4Å; R63-F89 HydrophobicContact CG-CD2 4.23Å
64D96.1Very high88.8Confident57 Ų5742.6 Ų42.631%0.30520%0.197SC..Hα-helixtrans-65.9-40.4-175.7-62.1-13.6000111.2K60 F62 L67 Q68K60-D64 WeakPolarHBondContact O-CB 3.48Å; K60-D64 PolarHBondContact O-N 3.28Å; F62-D64 VanDerWaalsContact C-N 3.29Å; F62-D64 PolarHBondContact O-N 3.25Å; D64-L67 PolarHBondContact O-N 2.87Å; D64-Q68 WeakPolarHBondContact O-CB 3.17Å; D64-Q68 WeakPolarHBondContact O-CG 3.17Å; D64-Q68 PolarHBondContact O-N 3.3Å
65K96Very high86.7Confident72 Ų7248.2 Ų48.231%0.31323%0.227SC..Hα-helixtrans-65.4-39.9174.5-68.8-69.1-174.6174.30112.2P61 F62 R63 Y69 W175 E178 I179P61-K65 VanDerWaalsContact O-CG 3.28Å; P61-K65 WeakPolarHBondContact O-CG 3.33Å; F62-K65 PolarHBondContact O-N 2.72Å; R63-K65 PolarHBondContact O-N 3.35Å; K65-Y69 PolarHBondContact O-N 3.43Å; K65-Y69 VanDerWaalsContact O-N 3.11Å; K65-W175 HydrophobicContact CB-CD2 3.77Å; K65-W175 HydrophobicContact CB-CE3 3.68Å; K65-W175 HydrophobicContact CB-CG 4.26Å; K65-W175 HydrophobicContact CB-CH2 4.4Å; K65-W175 HydrophobicContact CB-CZ2 4.47Å; K65-W175 HydrophobicContact CB-CZ3 4Å; K65-W175 HydrophobicContact CD-CB 3.89Å; K65-W175 HydrophobicContact CD-CD2 4.44Å; K65-W175 HydrophobicContact CD-CG 4.02Å; K65-W175 HydrophobicContact CG-CB 4.17Å; K65-W175 HydrophobicContact CG-CD2 4.12Å; K65-W175 HydrophobicContact CG-CE3 4.08Å; K65-W175 HydrophobicContact CG-CG 4.18Å; K65-E178 IonicContact NZ-OE2 3.45Å; K65-I179 HydrophobicContact CG-CD1 4.21Å
66V96.2Very high84.8Confident0 Ų054.7 Ų54.70%027%0.269CS..Hα-helixtrans-67.1-40.6177.1170.10000111.3F62 R63 Y69 L82 L85 S86 F89 W175F62-V66 HydrophobicContact CD1-CG2 4.02Å; F62-V66 HydrophobicContact CE1-CG2 3.65Å; F62-V66 HydrophobicContact CE2-CG2 4.23Å; F62-V66 HydrophobicContact CG-CG2 4.46Å; F62-V66 HydrophobicContact CZ-CG2 3.78Å; F62-V66 WeakPolarHBondContact O-CG2 3.3Å; F62-V66 PolarHBondContact O-N 3.21Å; R63-V66 PolarHBondContact O-N 3.22Å; V66-Y69 WeakPolarHBondContact O-CB 3.17Å; V66-Y69 PolarHBondContact O-N 2.96Å; V66-L82 HydrophobicContact CG2-CD1 4.36Å; V66-L85 HydrophobicContact CG1-CD2 4.49Å; V66-L85 HydrophobicContact CG1-CG 4.19Å; V66-L85 HydrophobicContact CG2-CD2 4.31Å; V66-S86 PolarHBondContact O-OG 2.92Å; V66-F89 HydrophobicContact CB-CD2 3.77Å; V66-F89 HydrophobicContact CB-CE2 4.06Å; V66-F89 HydrophobicContact CG1-CB 4.23Å; V66-F89 HydrophobicContact CG1-CD2 3.43Å; V66-F89 VanDerWaalsContact CG1-CD2 3.43Å; V66-F89 HydrophobicContact CG1-CE2 3.97Å; V66-F89 HydrophobicContact CG1-CG 3.94Å; V66-F89 HydrophobicContact CG2-CD2 4.46Å; V66-F89 HydrophobicContact CG2-CE2 4.27Å; V66-W175 HydrophobicContact CG2-CH2 3.93Å; V66-W175 HydrophobicContact CG2-CZ3 4.49Å
67L94.8Very high83.3Confident32 Ų3259 Ų5917%0.16829%0.288CS..Hα-helixtrans-68.4-42.5176.2-70.5171.1000112R63 D64 Y69 N70 D71 F89 V93R63-L67 HydrophobicContact CG-CD1 3.75Å; R63-L67 HydrophobicContact CG-CG 4.31Å; R63-L67 WeakPolarHBondContact O-CB 3.34Å; R63-L67 WeakPolarHBondContact O-CG 3.5Å; R63-L67 PolarHBondContact O-N 3.4Å; D64-L67 PolarHBondContact O-N 2.87Å; L67-Y69 PolarHBondContact O-N 2.83Å; L67-N70 WeakPolarHBondContact O-CB 3.34Å; L67-N70 PolarHBondContact O-N 3.18Å; L67-D71 PolarHBondContact O-N 2.86Å; L67-F89 HydrophobicContact CD2-CB 3.83Å; L67-F89 HydrophobicContact CG-CB 4.4Å; L67-V93 HydrophobicContact CD1-CG2 4.05Å; L67-V93 HydrophobicContact CD2-CG2 4.49Å
68Q92.3Very high82.5Confident99 Ų9967.1 Ų67.146%0.46332%0.323SS..Hα-helixtrans-61.4-28.2174.8-74.9170.424.600112.8D64 N70D64-Q68 WeakPolarHBondContact O-CB 3.17Å; D64-Q68 WeakPolarHBondContact O-CG 3.17Å; D64-Q68 PolarHBondContact O-N 3.3Å; Q68-N70 VanDerWaalsContact C-N 3.33Å
69Y89.7Confident82.2Confident16 Ų1670.3 Ų70.36%0.06334%0.338CS..Hα-helixtrans-67.4-33.8173.5-176.9-91.3000111.7K65 V66 L67 R72 A73 L82 T83 E144K65-Y69 PolarHBondContact O-N 3.43Å; K65-Y69 VanDerWaalsContact O-N 3.11Å; V66-Y69 WeakPolarHBondContact O-CB 3.17Å; V66-Y69 PolarHBondContact O-N 2.96Å; L67-Y69 PolarHBondContact O-N 2.83Å; Y69-R72 PolarHBondContact O-N 3.27Å; Y69-A73 PolarHBondContact O-N 3.48Å; Y69-A73 VanDerWaalsContact O-N 3.17Å; Y69-L82 HydrophobicContact CD1-CD1 4.47Å; Y69-L82 HydrophobicContact CD1-CD2 3.9Å; Y69-L82 HydrophobicContact CD1-CG 3.71Å; Y69-L82 HydrophobicContact CD2-CD2 3.65Å; Y69-L82 HydrophobicContact CD2-CG 4.37Å; Y69-L82 HydrophobicContact CE1-CB 4.33Å; Y69-L82 HydrophobicContact CE1-CD2 3.77Å; Y69-L82 HydrophobicContact CE1-CG 3.65Å; Y69-L82 HydrophobicContact CE2-CD2 3.52Å; Y69-L82 HydrophobicContact CE2-CG 4.34Å; Y69-L82 HydrophobicContact CG-CD2 3.84Å; Y69-L82 HydrophobicContact CG-CG 4.07Å; Y69-T83 HydrophobicContact CE1-CG2 3.73Å; Y69-E144 PolarHBondContact OH-OE1 2.82Å
70N77.1Confident82Confident29 Ų2971.1 Ų71.116%0.15534%0.343CS..Hα-helixtrans-61.3-45.5175.7-157.832.5000111.7L67 Q68 R72 A73 S86L67-N70 WeakPolarHBondContact O-CB 3.34Å; L67-N70 PolarHBondContact O-N 3.18Å; Q68-N70 VanDerWaalsContact C-N 3.33Å; N70-R72 PolarHBondContact O-N 3.05Å; N70-A73 WeakPolarHBondContact O-CA 3.46Å; N70-A73 WeakPolarHBondContact O-CB 3.38Å; N70-A73 PolarHBondContact O-N 3.45Å; N70-S86 WeakPolarHBondContact CA-OG 3.34Å; N70-S86 WeakPolarHBondContact CB-OG 3.19Å; N70-S86 PolarHBondContact N-OG 2.85Å; N70-S86 VanDerWaalsContact N-OG 3.15Å
71D69.5Low82Confident78 Ų7869.4 Ų69.442%0.41734%0.336SS..Hα-helixtrans-62.2-31.2-177.6-70.1-33.3000112.1L67L67-D71 PolarHBondContact O-N 2.86Å
72R61.6Low82Confident196 Ų19668.4 Ų68.474%0.7433%0.329SS*.Hα-helixtrans-78-22.4174.1-65.5179.1178.2-154.1-1.9113.1Y69 N70 K74Y69-R72 PolarHBondContact O-N 3.27Å; N70-R72 PolarHBondContact O-N 3.05Å; R72-K74 PolarHBondContact O-N 2.79Å
73A62.4Low81.8Confident25 Ų2569.2 Ų69.221%0.20733%0.334CS..THydrogen-bonded Turntrans-81.815.2-177.700000113.7Y69 N70 N75Y69-A73 PolarHBondContact O-N 3.48Å; Y69-A73 VanDerWaalsContact O-N 3.17Å; N70-A73 WeakPolarHBondContact O-CA 3.46Å; N70-A73 WeakPolarHBondContact O-CB 3.38Å; N70-A73 PolarHBondContact O-N 3.45Å; A73-N75 CarbonylContact C-O 3.59Å; A73-N75 CarbonylContact O-C 3.54Å; A73-N75 PolarHBondContact O-N 2.74Å
74K55.2Low81.7Confident177 Ų17768.2 Ų68.277%0.7733%0.331SS*.  trans-67.68173.9-71.2-178179175.70115.1R72R72-K74 PolarHBondContact O-N 2.79Å
75N54.7Low81.7Confident127 Ų12765.5 Ų65.568%0.67932%0.316SS*.SBendtrans-109.9146.2157.8-88.1-23.4000108.5A73 K77A73-N75 CarbonylContact C-O 3.59Å; A73-N75 CarbonylContact O-C 3.54Å; A73-N75 PolarHBondContact O-N 2.74Å; N75-K77 PolarHBondContact O-N 3.4Å
76P58.7Low81.7Confident136 Ų13662.1 Ų62.188%0.88330%0.301SS*.  trans-66.477.1-179.528.1-33.6000111.1
77K65.8Low81.6Confident91 Ų9164.9 Ų64.940%0.39632%0.316SS..  trans-65.7149.6166-74.5-172.1174.5-176.40107.9N75 E79 E144N75-K77 PolarHBondContact O-N 3.4Å; K77-E79 PolarHBondContact O-N 3.2Å; K77-E144 IonicContact NZ-OE1 2.72Å; K77-E144 IonicContact NZ-OE2 3.79Å; K77-E144 PolarHBondContact NZ-OE2 3.04Å
78K82.8Confident81.7Confident178 Ų17864 Ų6477%0.77431%0.311SS*.  trans-46.7132.3170.9-179.3175.4179.8176.40109.8T80K78-T80 WeakPolarHBondContact O-CG2 3.46Å; K78-T80 PolarHBondContact O-N 2.76Å
79E89.8Confident82Confident82 Ų8259.3 Ų59.338%0.38329%0.29SS..  trans-56.5115.6171.4-177.9-178.190.900108.8K77 K110 R113K77-E79 PolarHBondContact O-N 3.2Å; E79-K110 HydrophobicContact CG-CD 4.29Å; E79-K110 WeakPolarHBondContact O-CE 2.99Å; E79-K110 PolarHBondContact O-NZ 3.38Å; E79-R113 IonicContact OE1-CZ 3.82Å; E79-R113 IonicContact OE1-NH1 2.98Å; E79-R113 PolarHBondContact OE1-NH1 2.91Å; E79-R113 IonicContact OE1-NH2 3.88Å
80T93.2Very high82.2Confident17 Ų1763.7 Ų63.710%0.10431%0.307CS..  trans-120.7165.9174.269.10000110.9K78 L82 T83 C84 K110 I140K78-T80 WeakPolarHBondContact O-CG2 3.46Å; K78-T80 PolarHBondContact O-N 2.76Å; T80-L82 PolarHBondContact O-N 3.09Å; T80-L82 PolarHBondContact OG1-N 3.45Å; T80-T83 PolarHBondContact N-OG1 2.72Å; T80-T83 PolarHBondContact O-N 2.82Å; T80-T83 PolarHBondContact O-OG1 3.11Å; T80-T83 PolarHBondContact OG1-N 3.45Å; T80-T83 VanDerWaalsContact OG1-N 3.15Å; T80-T83 PolarHBondContact OG1-OG1 3.43Å; T80-C84 PolarHBondContact O-N 3.3Å; T80-C84 PolarHBondContact O-SG 2.95Å; T80-K110 VanDerWaalsContact CA-CE 3.45Å; T80-I140 HydrophobicContact CG2-CG1 4.47Å; T80-I140 HydrophobicContact CG2-CG2 4.21Å
81L95Very high83.1Confident0 Ų064.7 Ų64.70%032%0.316CS..Hα-helixtrans-57-36.9173.1-165.564.2000112.3C84 L85 F107 K110 L111 Y132 L133 K136 I140L81-C84 PolarHBondContact O-N 3.01Å; L81-L85 WeakPolarHBondContact O-CB 3.17Å; L81-L85 PolarHBondContact O-N 3.2Å; L81-F107 HydrophobicContact CD1-CD2 3.92Å; L81-F107 HydrophobicContact CD1-CE1 4.34Å; L81-F107 HydrophobicContact CD1-CE2 3.43Å; L81-F107 VanDerWaalsContact CD1-CE2 3.43Å; L81-F107 HydrophobicContact CD1-CZ 3.68Å; L81-F107 HydrophobicContact CG-CE2 3.75Å; L81-F107 HydrophobicContact CG-CZ 4.13Å; L81-K110 HydrophobicContact CD1-CG 4.28Å; L81-L111 HydrophobicContact CD1-CB 4.06Å; L81-L111 HydrophobicContact CD1-CD1 4.45Å; L81-L111 HydrophobicContact CD2-CD1 4.4Å; L81-Y132 HydrophobicContact CD2-CD1 4.5Å; L81-Y132 HydrophobicContact CD2-CE1 3.76Å; L81-L133 HydrophobicContact CD2-CD1 3.59Å; L81-L133 HydrophobicContact CG-CD1 4.04Å; L81-K136 HydrophobicContact CB-CG 4.45Å; L81-K136 HydrophobicContact CD2-CB 4.35Å; L81-K136 HydrophobicContact CD2-CG 3.97Å; L81-I140 HydrophobicContact CB-CD1 4.26Å
82L95.4Very high84.3Confident0 Ų061.4 Ų61.40%030%0.299CS..Hα-helixtrans-67.1-44.3176.6-179.857.7000112V66 Y69 T80 C84 L85 S86 I137 I140 I141 W175V66-L82 HydrophobicContact CG2-CD1 4.36Å; Y69-L82 HydrophobicContact CD1-CD1 4.47Å; Y69-L82 HydrophobicContact CD1-CD2 3.9Å; Y69-L82 HydrophobicContact CD1-CG 3.71Å; Y69-L82 HydrophobicContact CD2-CD2 3.65Å; Y69-L82 HydrophobicContact CD2-CG 4.37Å; Y69-L82 HydrophobicContact CE1-CB 4.33Å; Y69-L82 HydrophobicContact CE1-CD2 3.77Å; Y69-L82 HydrophobicContact CE1-CG 3.65Å; Y69-L82 HydrophobicContact CE2-CD2 3.52Å; Y69-L82 HydrophobicContact CE2-CG 4.34Å; Y69-L82 HydrophobicContact CG-CD2 3.84Å; Y69-L82 HydrophobicContact CG-CG 4.07Å; T80-L82 PolarHBondContact O-N 3.09Å; T80-L82 PolarHBondContact OG1-N 3.45Å; L82-C84 VanDerWaalsContact C-N 3.31Å; L82-C84 PolarHBondContact O-N 3.32Å; L82-L85 PolarHBondContact O-N 2.88Å; L82-S86 VanDerWaalsContact O-CB 3.25Å; L82-S86 WeakPolarHBondContact O-CB 3.3Å; L82-S86 PolarHBondContact O-N 2.86Å; L82-I137 HydrophobicContact CB-CG1 4.37Å; L82-I137 HydrophobicContact CD1-CD1 4.29Å; L82-I137 HydrophobicContact CD1-CG1 4.23Å; L82-I137 HydrophobicContact CD1-CG2 3.89Å; L82-I137 HydrophobicContact CD2-CG2 4.13Å; L82-I137 HydrophobicContact CG-CG2 4.44Å; L82-I140 HydrophobicContact CB-CD1 4.04Å; L82-I140 HydrophobicContact CB-CG2 4.24Å; L82-I140 HydrophobicContact CD2-CG2 4.21Å; L82-I141 HydrophobicContact CD2-CG1 4.03Å; L82-W175 HydrophobicContact CD1-CH2 4.28Å; L82-W175 HydrophobicContact CD1-CZ2 4.2Å; L82-W175 HydrophobicContact CD2-CZ2 4.29Å
83T93.6Very high85.9Confident17 Ų1754.4 Ų54.410%0.10428%0.278CS..Hα-helixtrans-60.3-41.7174.656.40000111.5Y69 T80 L85 S86 D87Y69-T83 HydrophobicContact CE1-CG2 3.73Å; T80-T83 PolarHBondContact N-OG1 2.72Å; T80-T83 PolarHBondContact O-N 2.82Å; T80-T83 PolarHBondContact O-OG1 3.11Å; T80-T83 PolarHBondContact OG1-N 3.45Å; T80-T83 VanDerWaalsContact OG1-N 3.15Å; T80-T83 PolarHBondContact OG1-OG1 3.43Å; T83-L85 PolarHBondContact O-N 3.49Å; T83-S86 WeakPolarHBondContact O-CB 3.3Å; T83-S86 PolarHBondContact O-N 3.45Å; T83-D87 PolarHBondContact O-N 3.34Å
84C95.4Very high87.4Confident3 Ų355.1 Ų55.12%0.0228%0.281CS..Hα-helixtrans-67.2-35.7177.8-68.20000112.9T80 L81 L82 L88 F107 K110T80-C84 PolarHBondContact O-N 3.3Å; T80-C84 PolarHBondContact O-SG 2.95Å; L81-C84 PolarHBondContact O-N 3.01Å; L82-C84 VanDerWaalsContact C-N 3.31Å; L82-C84 PolarHBondContact O-N 3.32Å; C84-L88 WeakPolarHBondContact O-CB 3.26Å; C84-L88 PolarHBondContact O-N 3Å; C84-L88 VanDerWaalsContact O-N 3.14Å; C84-F107 HydrophobicContact CB-CB 4.21Å; C84-F107 HydrophobicContact CB-CD2 4.1Å; C84-K110 HydrophobicContact CB-CB 4.42Å
85L97.2Very high89.1Confident1 Ų149.7 Ų49.71%0.00526%0.259CS..Hα-helixtrans-68.8-40.5175.2-174.463000111I53 F62 V66 L81 L82 T83 L88 F89 F107 I137I53-L85 HydrophobicContact CG1-CD1 4.49Å; I53-L85 HydrophobicContact CG2-CD1 4.35Å; F62-L85 HydrophobicContact CE1-CD2 4.04Å; F62-L85 HydrophobicContact CZ-CD2 3.89Å; V66-L85 HydrophobicContact CG1-CD2 4.49Å; V66-L85 HydrophobicContact CG1-CG 4.19Å; V66-L85 HydrophobicContact CG2-CD2 4.31Å; L81-L85 WeakPolarHBondContact O-CB 3.17Å; L81-L85 PolarHBondContact O-N 3.2Å; L82-L85 PolarHBondContact O-N 2.88Å; T83-L85 PolarHBondContact O-N 3.49Å; L85-L88 WeakPolarHBondContact O-CB 3.12Å; L85-L88 PolarHBondContact O-N 3.13Å; L85-F89 HydrophobicContact CD1-CD1 4.1Å; L85-F89 HydrophobicContact CD1-CE1 3.63Å; L85-F89 HydrophobicContact CD1-CZ 4.07Å; L85-F89 HydrophobicContact CG-CD1 4.45Å; L85-F89 HydrophobicContact CG-CE1 4.21Å; L85-F89 HydrophobicContact CG-CZ 4.35Å; L85-F89 PolarHBondContact O-N 3.01Å; L85-F107 HydrophobicContact CB-CD2 3.96Å; L85-F107 HydrophobicContact CB-CE2 3.85Å; L85-F107 HydrophobicContact CD1-CD2 4.22Å; L85-F107 HydrophobicContact CD1-CE2 3.95Å; L85-F107 HydrophobicContact CG-CE2 4.39Å; L85-I137 HydrophobicContact CD2-CD1 3.72Å
86S95.5Very high90.9Very high0 Ų051.5 Ų51.50%026%0.263CS..Hα-helixtrans-62.9-47.1177.1-162.90000111.8V66 N70 L82 T83 L88 F89 Y90V66-S86 PolarHBondContact O-OG 2.92Å; N70-S86 WeakPolarHBondContact CA-OG 3.34Å; N70-S86 WeakPolarHBondContact CB-OG 3.19Å; N70-S86 PolarHBondContact N-OG 2.85Å; N70-S86 VanDerWaalsContact N-OG 3.15Å; L82-S86 VanDerWaalsContact O-CB 3.25Å; L82-S86 WeakPolarHBondContact O-CB 3.3Å; L82-S86 PolarHBondContact O-N 2.86Å; T83-S86 WeakPolarHBondContact O-CB 3.3Å; T83-S86 PolarHBondContact O-N 3.45Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.79Å; S86-F89 PolarHBondContact O-N 3.37Å; S86-Y90 WeakPolarHBondContact O-CB 3.46Å; S86-Y90 PolarHBondContact O-N 3.11Å
87D94.5Very high92.4Very high58 Ų5851 Ų5131%0.3124%0.243SC..Hα-helixtrans-55.5-43.9171.7-81.6-1.6000112T83 S91 K106T83-D87 PolarHBondContact O-N 3.34Å; D87-S91 VanDerWaalsContact O-CB 3.3Å; D87-S91 WeakPolarHBondContact O-CB 3.45Å; D87-S91 PolarHBondContact O-N 2.96Å; D87-S91 PolarHBondContact O-OG 3.43Å; D87-K106 IonicContact OD2-NZ 3.97Å
88L96.8Very high93.6Very high13 Ų1349.3 Ų49.37%0.06824%0.235CC..Hα-helixtrans-64.2-48178.8175.861.1000111.2L40 I53 C84 L85 S86 Y90 S91 V92 M102 P104L40-L88 HydrophobicContact CD2-CD1 4.18Å; I53-L88 HydrophobicContact CD1-CD2 4.4Å; I53-L88 HydrophobicContact CG2-CD2 4.01Å; C84-L88 WeakPolarHBondContact O-CB 3.26Å; C84-L88 PolarHBondContact O-N 3Å; C84-L88 VanDerWaalsContact O-N 3.14Å; L85-L88 WeakPolarHBondContact O-CB 3.12Å; L85-L88 PolarHBondContact O-N 3.13Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.79Å; L88-Y90 PolarHBondContact O-N 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.48Å; L88-S91 PolarHBondContact O-N 3.03Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.07Å; L88-V92 VanDerWaalsContact O-N 3.12Å; L88-M102 HydrophobicContact CD1-CB 4.46Å; L88-P104 HydrophobicContact CD1-CB 4.1Å; L88-P104 HydrophobicContact CD2-CB 3.77Å
89F97.3Very high94.1Very high2 Ų241 Ų411%0.00920%0.198CC..Hα-helixtrans-63.6-42.8179.3-79.717.7000111.3I53 F57 F62 R63 V66 L67 L85 S86 S91 V92 V93I53-F89 HydrophobicContact CG2-CE1 3.93Å; F57-F89 HydrophobicContact CB-CE1 3.84Å; F57-F89 HydrophobicContact CB-CE2 4.4Å; F57-F89 HydrophobicContact CB-CZ 3.77Å; F57-F89 HydrophobicContact CD2-CB 4.34Å; F57-F89 AromaticContact CD2-CD1 3.68Å; F57-F89 HydrophobicContact CD2-CD1 3.68Å; F57-F89 AromaticContact CD2-CD2 3.97Å; F57-F89 HydrophobicContact CD2-CD2 3.97Å; F57-F89 AromaticContact CD2-CE1 3.82Å; F57-F89 HydrophobicContact CD2-CE1 3.82Å; F57-F89 HydrophobicContact CD2-CE2 4.14Å; F57-F89 AromaticContact CD2-CG 3.75Å; F57-F89 HydrophobicContact CD2-CG 3.75Å; F57-F89 HydrophobicContact CD2-CZ 4.06Å; F57-F89 HydrophobicContact CE2-CB 4.39Å; F57-F89 HydrophobicContact CE2-CD1 4.45Å; F57-F89 HydrophobicContact CE2-CG 4.27Å; F57-F89 HydrophobicContact CG-CE1 4.31Å; F57-F89 HydrophobicContact CG-CZ 4.43Å; F62-F89 AromaticContact CD1-CE2 3.94Å; F62-F89 HydrophobicContact CD1-CE2 3.94Å; F62-F89 HydrophobicContact CD1-CZ 4.32Å; F62-F89 AromaticContact CE1-CE2 3.85Å; F62-F89 HydrophobicContact CE1-CE2 3.85Å; F62-F89 AromaticContact CE1-CZ 3.97Å; F62-F89 HydrophobicContact CE1-CZ 3.97Å; R63-F89 HydrophobicContact CB-CD2 4.48Å; R63-F89 HydrophobicContact CB-CE2 4.4Å; R63-F89 HydrophobicContact CG-CD2 4.23Å; V66-F89 HydrophobicContact CB-CD2 3.77Å; V66-F89 HydrophobicContact CB-CE2 4.06Å; V66-F89 HydrophobicContact CG1-CB 4.23Å; V66-F89 HydrophobicContact CG1-CD2 3.43Å; V66-F89 VanDerWaalsContact CG1-CD2 3.43Å; V66-F89 HydrophobicContact CG1-CE2 3.97Å; V66-F89 HydrophobicContact CG1-CG 3.94Å; V66-F89 HydrophobicContact CG2-CD2 4.46Å; V66-F89 HydrophobicContact CG2-CE2 4.27Å; L67-F89 HydrophobicContact CD2-CB 3.83Å; L67-F89 HydrophobicContact CG-CB 4.4Å; L85-F89 HydrophobicContact CD1-CD1 4.1Å; L85-F89 HydrophobicContact CD1-CE1 3.63Å; L85-F89 HydrophobicContact CD1-CZ 4.07Å; L85-F89 HydrophobicContact CG-CD1 4.45Å; L85-F89 HydrophobicContact CG-CE1 4.21Å; L85-F89 HydrophobicContact CG-CZ 4.35Å; L85-F89 PolarHBondContact O-N 3.01Å; S86-F89 PolarHBondContact O-N 3.37Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 3.48Å; F89-V92 PolarHBondContact O-N 3.29Å; F89-V93 WeakPolarHBondContact O-CG2 3.28Å; F89-V93 PolarHBondContact O-N 3.4Å
90Y94.9Very high94.3Very high108 Ų10837.3 Ų37.342%0.42418%0.183SC..Hα-helixtrans-62-41.5174.9-176.5-95.3000111.5S86 L88 V92 V93 S94S86-Y90 WeakPolarHBondContact O-CB 3.46Å; S86-Y90 PolarHBondContact O-N 3.11Å; L88-Y90 PolarHBondContact O-N 3.3Å; Y90-V92 PolarHBondContact O-N 3.39Å; Y90-V93 PolarHBondContact O-N 2.9Å; Y90-S94 VanDerWaalsContact O-CB 3.24Å; Y90-S94 WeakPolarHBondContact O-CB 3.36Å; Y90-S94 PolarHBondContact O-N 2.99Å; Y90-S94 PolarHBondContact O-OG 3.05Å
91S94.9Very high94.4Very high50 Ų5040.8 Ų40.835%0.3520%0.198SC..Hα-helixtrans-61.6-31.4177.1-61.50000112.9D87 L88 F89 S94 Q95 M102D87-S91 VanDerWaalsContact O-CB 3.3Å; D87-S91 WeakPolarHBondContact O-CB 3.45Å; D87-S91 PolarHBondContact O-N 2.96Å; D87-S91 PolarHBondContact O-OG 3.43Å; L88-S91 WeakPolarHBondContact O-CB 3.48Å; L88-S91 PolarHBondContact O-N 3.03Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 3.48Å; S91-S94 PolarHBondContact O-OG 2.95Å; S91-Q95 VanDerWaalsContact O-CG 3.28Å; S91-Q95 WeakPolarHBondContact O-CG 3.45Å; S91-Q95 PolarHBondContact O-NE2 3.18Å; S91-M102 WeakPolarHBondContact O-CE 3.42Å
92V96.1Very high94.5Very high8 Ų842 Ų425%0.04820%0.204CC..Hα-helixtrans-74.7-50.9173.9176.30000111.1R36 F38 F57 L88 F89 Y90 S94 Q95 M102R36-V92 HydrophobicContact CB-CG1 3.73Å; F38-V92 HydrophobicContact CB-CG1 4.21Å; F38-V92 HydrophobicContact CB-CG2 4.48Å; F38-V92 HydrophobicContact CD2-CG1 4.12Å; F38-V92 HydrophobicContact CG-CG1 4.34Å; F57-V92 HydrophobicContact CE1-CG1 3.94Å; F57-V92 HydrophobicContact CE2-CB 4.04Å; F57-V92 HydrophobicContact CE2-CG1 3.94Å; F57-V92 HydrophobicContact CZ-CB 4.03Å; F57-V92 HydrophobicContact CZ-CG1 3.41Å; F57-V92 VanDerWaalsContact CZ-CG1 3.41Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.07Å; L88-V92 VanDerWaalsContact O-N 3.12Å; F89-V92 PolarHBondContact O-N 3.29Å; Y90-V92 PolarHBondContact O-N 3.39Å; V92-S94 VanDerWaalsContact C-N 3.34Å; V92-S94 PolarHBondContact O-N 3.26Å; V92-Q95 WeakPolarHBondContact O-CB 3.46Å; V92-Q95 WeakPolarHBondContact O-CG 3.4Å; V92-Q95 PolarHBondContact O-N 3.46Å; V92-M102 HydrophobicContact CG2-CB 4.46Å; V92-M102 HydrophobicContact CG2-CG 3.79Å
93V94.6Very high94.6Very high50 Ų5051 Ų5130%0.30324%0.238SC..Hα-helixtrans-67.8-32.8-175.1172.70000112.5F57 L67 F89 Y90 Q95F57-V93 HydrophobicContact CE2-CG2 4.02Å; F57-V93 HydrophobicContact CZ-CG2 4Å; L67-V93 HydrophobicContact CD1-CG2 4.05Å; L67-V93 HydrophobicContact CD2-CG2 4.49Å; F89-V93 WeakPolarHBondContact O-CG2 3.28Å; F89-V93 PolarHBondContact O-N 3.4Å; Y90-V93 PolarHBondContact O-N 2.9Å; V93-Q95 PolarHBondContact O-N 3.49Å
94S93.3Very high94.7Very high39 Ų3950.3 Ų50.327%0.27323%0.234SC..THydrogen-bonded Turntrans-72.3-5.917856.90000114.3Y90 S91 V92Y90-S94 VanDerWaalsContact O-CB 3.24Å; Y90-S94 WeakPolarHBondContact O-CB 3.36Å; Y90-S94 PolarHBondContact O-N 2.99Å; Y90-S94 PolarHBondContact O-OG 3.05Å; S91-S94 PolarHBondContact O-OG 2.95Å; V92-S94 VanDerWaalsContact C-N 3.34Å; V92-S94 PolarHBondContact O-N 3.26Å
95Q92.7Very high94.7Very high64 Ų6455.8 Ų55.830%0.29926%0.257SS..  trans-69.2138.7178.7-64.3-58.6-5100112R36 F38 S91 V92 V93 M102R36-Q95 PolarHBondContact NE-O 2.91Å; R36-Q95 PolarHBondContact NH2-O 2.89Å; F38-Q95 HydrophobicContact CD1-CG 4.43Å; F38-Q95 HydrophobicContact CE1-CB 4.17Å; F38-Q95 HydrophobicContact CE1-CG 3.68Å; F38-Q95 HydrophobicContact CE2-CB 3.89Å; F38-Q95 HydrophobicContact CE2-CG 4.09Å; F38-Q95 HydrophobicContact CZ-CB 3.46Å; F38-Q95 VanDerWaalsContact CZ-CB 3.46Å; F38-Q95 HydrophobicContact CZ-CG 3.49Å; F38-Q95 VanDerWaalsContact CZ-CG 3.49Å; S91-Q95 VanDerWaalsContact O-CG 3.28Å; S91-Q95 WeakPolarHBondContact O-CG 3.45Å; S91-Q95 PolarHBondContact O-NE2 3.18Å; V92-Q95 WeakPolarHBondContact O-CB 3.46Å; V92-Q95 WeakPolarHBondContact O-CG 3.4Å; V92-Q95 PolarHBondContact O-N 3.46Å; V93-Q95 PolarHBondContact O-N 3.49Å; Q95-M102 HydrophobicContact CG-CE 3.27Å; Q95-M102 VanDerWaalsContact NE2-CE 3.26Å
96Q90.6Very high94.6Very high165 Ų16561.8 Ų61.877%0.77128%0.283SS*.SBendtrans-75-37.1171.2-62.5-58.9-34.800111.4
97R91.3Very high94.7Very high125 Ų12561.9 Ų61.947%0.47228%0.284SS..SBendtrans-73.3144.5177.1-63-174.165.5-163.7-2.8110.4E23 R36 F38E23-R97 IonicContact OE2-NH2 3.08Å; E23-R97 PolarHBondContact OE2-NH2 3.29Å; E23-R97 VanDerWaalsContact OE2-NH2 3.08Å; R36-R97 VanDerWaalsContact CD-O 3.23Å; R36-R97 WeakPolarHBondContact CD-O 3.23Å; F38-R97 VanDerWaalsContact CE2-O 3.27Å; F38-R97 WeakPolarHBondContact CE2-O 3.48Å; F38-R97 HydrophobicContact CZ-CB 4.31Å; F38-R97 WeakPolarHBondContact CZ-O 3.47Å
98R90.8Very high94.8Very high56 Ų5659.5 Ų59.521%0.21127%0.271CS..SBendtrans-79.5-28.6176.8-71.3-166.3-71.9178.8-13.4113.5I26 A27 Y37I26-R98 HydrophobicContact CD1-CB 4.41Å; I26-R98 PolarHBondContact O-NH1 3.31Å; I26-R98 VanDerWaalsContact O-NH1 3.08Å; A27-R98 VanDerWaalsContact CA-NH2 3.28Å; A27-R98 PolarHBondContact O-NH2 2.77Å; Y37-R98 PolarHBondContact N-O 3.09Å
99V93.3Very high94.7Very high2 Ų263 Ų631%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-128.6141.1-177.2-175.40000109.7L22 E23 I26 Y37L22-V99 HydrophobicContact CB-CG1 4.25Å; L22-V99 HydrophobicContact CB-CG2 4.47Å; L22-V99 HydrophobicContact CD2-CG1 3.81Å; L22-V99 HydrophobicContact CD2-CG2 4.07Å; L22-V99 HydrophobicContact CG-CG1 4.32Å; L22-V99 HydrophobicContact CG-CG2 4.06Å; E23-V99 HydrophobicContact CB-CB 4.4Å; E23-V99 HydrophobicContact CB-CG2 4.18Å; I26-V99 HydrophobicContact CD1-CG2 3.58Å; Y37-V99 WeakPolarHBondContact O-CA 3.45Å
100G94.8Very high94.6Very high6 Ų663.9 Ų63.96%0.06229%0.291CS..EExtended strand (participates in β ladder)trans178.1-153.8174.500000113.2Y37 F38 G39Y37-G100 PolarHBondContact O-N 2.97Å; F38-G100 CarbonylContact C-O 3.53Å; F38-G100 VanDerWaalsContact CA-O 3.28Å; F38-G100 WeakPolarHBondContact CA-O 3.38Å; F38-G100 VanDerWaalsContact CD1-C 3.41Å; G39-G100 PolarHBondContact N-O 3.02Å
101Q95.7Very high94.7Very high89 Ų8958.8 Ų58.842%0.41627%0.271SS..EExtended strand (participates in β ladder)trans-133.4144.6179.9-62.7176.5-7.900109.7G39 V41 E338G39-Q101 CarbonylContact O-C 3.55Å; G39-Q101 WeakPolarHBondContact O-CA 3.47Å; V41-Q101 HydrophobicContact CG2-CB 4.47Å; Q101-E338 HydrophobicContact CG-CB 4.03Å; Q101-E338 WeakPolarHBondContact CG-O 3.44Å; Q101-E338 PolarHBondContact NE2-O 2.58Å
102M96Very high94.6Very high25 Ų2558 Ų5812%0.12326%0.261CS..EExtended strand (participates in β ladder)trans-124.5143.5176.2-78.7-61.5160.900110.6F38 G39 L40 V41 L88 S91 V92 Q95 P104F38-M102 HydrophobicContact CB-CG 4.03Å; F38-M102 HydrophobicContact CD1-CE 3.65Å; F38-M102 HydrophobicContact CD1-CG 3.81Å; F38-M102 HydrophobicContact CE1-CE 3.7Å; F38-M102 HydrophobicContact CG-CE 4.5Å; F38-M102 HydrophobicContact CG-CG 4.21Å; G39-M102 PolarHBondContact O-N 3.48Å; L40-M102 WeakPolarHBondContact CA-O 3.37Å; L40-M102 HydrophobicContact CD2-CB 3.9Å; V41-M102 PolarHBondContact N-O 3.1Å; L88-M102 HydrophobicContact CD1-CB 4.46Å; S91-M102 WeakPolarHBondContact O-CE 3.42Å; V92-M102 HydrophobicContact CG2-CB 4.46Å; V92-M102 HydrophobicContact CG2-CG 3.79Å; Q95-M102 HydrophobicContact CG-CE 3.27Å; Q95-M102 VanDerWaalsContact NE2-CE 3.26Å; M102-P104 WeakPolarHBondContact O-CD 3.35Å
103R97.4Very high94.5Very high190 Ų19065 Ų6572%0.71729%0.287SS*.  trans-102.999.7178.1-74.3-178.4-177.61250.3109V41 F43 K105V41-R103 HydrophobicContact CB-CG 3.99Å; V41-R103 HydrophobicContact CG1-CG 4.47Å; V41-R103 HydrophobicContact CG2-CG 3.72Å; F43-R103 HydrophobicContact CE2-CB 4.23Å; F43-R103 HydrophobicContact CZ-CB 3.92Å; F43-R103 HydrophobicContact CZ-CG 4.14Å; R103-K105 PolarHBondContact O-N 3.4Å
104P96.5Very high94.4Very high3 Ų365.3 Ų65.32%0.01929%0.285CS..  trans-71.934.817931.1-39.6000114.3L40 F43 L88 M102 K106 F107 I108L40-P104 HydrophobicContact CB-CG 4.25Å; L40-P104 HydrophobicContact CD2-CG 4.33Å; F43-P104 HydrophobicContact CD2-CG 4.34Å; F43-P104 HydrophobicContact CE2-CG 4.18Å; L88-P104 HydrophobicContact CD1-CB 4.1Å; L88-P104 HydrophobicContact CD2-CB 3.77Å; M102-P104 WeakPolarHBondContact O-CD 3.35Å; P104-K106 PolarHBondContact O-N 3.29Å; P104-F107 PolarHBondContact O-N 3.06Å; P104-I108 HydrophobicContact CB-CG1 4.37Å; P104-I108 HydrophobicContact CG-CG1 4.27Å; P104-I108 WeakPolarHBondContact O-CG1 3.42Å; P104-I108 PolarHBondContact O-N 3.42Å
105K95.7Very high94.2Very high117 Ų11765.3 Ų65.351%0.50928%0.282SS..Hα-helixtrans-57-47.6-170.1-173.5176.8-179.9179.50112.9F43 R103 I108 Q109F43-K105 HydrophobicContact CE1-CB 4.33Å; F43-K105 HydrophobicContact CE1-CG 4.4Å; F43-K105 HydrophobicContact CE2-CB 4.47Å; F43-K105 HydrophobicContact CZ-CB 3.96Å; R103-K105 PolarHBondContact O-N 3.4Å; K105-I108 PolarHBondContact O-N 3.16Å; K105-Q109 HydrophobicContact CG-CG 4.48Å; K105-Q109 WeakPolarHBondContact O-CB 3.42Å; K105-Q109 VanDerWaalsContact O-CG 3.24Å; K105-Q109 WeakPolarHBondContact O-CG 3.47Å; K105-Q109 PolarHBondContact O-N 2.86Å
106K95Very high93.9Very high128 Ų12865 Ų6556%0.55730%0.296SS*.Hα-helixtrans-60.6-47178.9-73-174176.3-177.10111.5D87 P104 Q109 K110D87-K106 IonicContact OD2-NZ 3.97Å; P104-K106 PolarHBondContact O-N 3.29Å; K106-Q109 PolarHBondContact O-N 3.02Å; K106-K110 WeakPolarHBondContact O-CB 3.21Å; K106-K110 PolarHBondContact O-N 3.24Å
107F97.1Very high93.7Very high1 Ų160.4 Ų60.40%0.00428%0.276CS..Hα-helixtrans-60.6-49.4178.1-179.6-87.4000112I53 L81 C84 L85 P104 Q109 K110 L111 F129 L133I53-F107 HydrophobicContact CD1-CD1 3.71Å; I53-F107 HydrophobicContact CD1-CE1 3.51Å; I53-F107 HydrophobicContact CD1-CG 4.45Å; I53-F107 HydrophobicContact CD1-CZ 4.06Å; I53-F107 HydrophobicContact CG1-CE1 4.46Å; L81-F107 HydrophobicContact CD1-CD2 3.92Å; L81-F107 HydrophobicContact CD1-CE1 4.34Å; L81-F107 HydrophobicContact CD1-CE2 3.43Å; L81-F107 VanDerWaalsContact CD1-CE2 3.43Å; L81-F107 HydrophobicContact CD1-CZ 3.68Å; L81-F107 HydrophobicContact CG-CE2 3.75Å; L81-F107 HydrophobicContact CG-CZ 4.13Å; C84-F107 HydrophobicContact CB-CB 4.21Å; C84-F107 HydrophobicContact CB-CD2 4.1Å; L85-F107 HydrophobicContact CB-CD2 3.96Å; L85-F107 HydrophobicContact CB-CE2 3.85Å; L85-F107 HydrophobicContact CD1-CD2 4.22Å; L85-F107 HydrophobicContact CD1-CE2 3.95Å; L85-F107 HydrophobicContact CG-CE2 4.39Å; P104-F107 PolarHBondContact O-N 3.06Å; F107-Q109 PolarHBondContact O-N 3.08Å; F107-K110 PolarHBondContact O-N 3.06Å; F107-L111 HydrophobicContact CE1-CB 4.5Å; F107-L111 HydrophobicContact CE1-CD2 4.33Å; F107-L111 WeakPolarHBondContact O-CB 3.44Å; F107-L111 PolarHBondContact O-N 3.4Å; F107-F129 HydrophobicContact CE1-CE2 4.33Å; F107-F129 AromaticContact CE1-CZ 3.95Å; F107-F129 HydrophobicContact CE1-CZ 3.95Å; F107-F129 HydrophobicContact CZ-CE2 4.38Å; F107-F129 AromaticContact CZ-CZ 3.99Å; F107-F129 HydrophobicContact CZ-CZ 3.99Å; F107-L133 HydrophobicContact CE2-CD1 4.19Å; F107-L133 HydrophobicContact CZ-CD1 3.92Å
108I95.7Very high93.4Very high9 Ų954.5 Ų54.55%0.04625%0.254CS..Hα-helixtrans-62-43.8179.4-63-63.2000111.2F43 T46 C49 P104 K105 K110 L111 K112F43-I108 HydrophobicContact CB-CG2 4.48Å; F43-I108 HydrophobicContact CD2-CG1 4.48Å; T46-I108 HydrophobicContact CG2-CD1 4.12Å; T46-I108 HydrophobicContact CG2-CG2 4.18Å; C49-I108 HydrophobicContact CB-CD1 4.19Å; C49-I108 VanDerWaalsContact SG-CD1 3.58Å; P104-I108 HydrophobicContact CB-CG1 4.37Å; P104-I108 HydrophobicContact CG-CG1 4.27Å; P104-I108 WeakPolarHBondContact O-CG1 3.42Å; P104-I108 PolarHBondContact O-N 3.42Å; K105-I108 PolarHBondContact O-N 3.16Å; I108-K110 VanDerWaalsContact C-N 3.29Å; I108-K110 PolarHBondContact O-N 3.25Å; I108-L111 PolarHBondContact O-N 2.98Å; I108-K112 HydrophobicContact CG2-CD 4.39Å; I108-K112 WeakPolarHBondContact O-CG 3.4Å; I108-K112 PolarHBondContact O-N 2.93Å
109Q95.2Very high93.2Very high85 Ų8556.6 Ų56.640%0.39727%0.269SS..Hα-helixtrans-61.4-38.5176.4-74.5177.5-16.400112.3K105 K106 F107 R113K105-Q109 HydrophobicContact CG-CG 4.48Å; K105-Q109 WeakPolarHBondContact O-CB 3.42Å; K105-Q109 VanDerWaalsContact O-CG 3.24Å; K105-Q109 WeakPolarHBondContact O-CG 3.47Å; K105-Q109 PolarHBondContact O-N 2.86Å; K106-Q109 PolarHBondContact O-N 3.02Å; F107-Q109 PolarHBondContact O-N 3.08Å; Q109-R113 WeakPolarHBondContact O-CG 3.28Å; Q109-R113 PolarHBondContact O-N 2.89Å
110K95.4Very high92.7Very high21 Ų2158.6 Ų58.69%0.09128%0.28CS..Hα-helixtrans-69.4-43.3177.2-17655.2162.8163.60112E79 T80 L81 C84 K106 F107 I108 K112 R113 E114E79-K110 HydrophobicContact CG-CD 4.29Å; E79-K110 WeakPolarHBondContact O-CE 2.99Å; E79-K110 PolarHBondContact O-NZ 3.38Å; T80-K110 VanDerWaalsContact CA-CE 3.45Å; L81-K110 HydrophobicContact CD1-CG 4.28Å; C84-K110 HydrophobicContact CB-CB 4.42Å; K106-K110 WeakPolarHBondContact O-CB 3.21Å; K106-K110 PolarHBondContact O-N 3.24Å; F107-K110 PolarHBondContact O-N 3.06Å; I108-K110 VanDerWaalsContact C-N 3.29Å; I108-K110 PolarHBondContact O-N 3.25Å; K110-K112 PolarHBondContact O-N 3.41Å; K110-R113 PolarHBondContact O-N 2.73Å; K110-E114 HydrophobicContact CD-CG 4.12Å; K110-E114 WeakPolarHBondContact CE-OE1 3.18Å; K110-E114 IonicContact NZ-OE1 2.72Å; K110-E114 PolarHBondContact NZ-OE1 2.67Å; K110-E114 WeakPolarHBondContact O-CG 3.11Å; K110-E114 PolarHBondContact O-N 3.06Å
111L96.2Very high92Very high1 Ų166.5 Ų66.51%0.00531%0.309CS..Hα-helixtrans-55.7-50.7175.517762.8000111.5L81 F107 I108 R113 E114 N115 F118 F129 Y132L81-L111 HydrophobicContact CD1-CB 4.06Å; L81-L111 HydrophobicContact CD1-CD1 4.45Å; L81-L111 HydrophobicContact CD2-CD1 4.4Å; F107-L111 HydrophobicContact CE1-CB 4.5Å; F107-L111 HydrophobicContact CE1-CD2 4.33Å; F107-L111 WeakPolarHBondContact O-CB 3.44Å; F107-L111 PolarHBondContact O-N 3.4Å; I108-L111 PolarHBondContact O-N 2.98Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 2.76Å; L111-E114 PolarHBondContact O-N 3.11Å; L111-N115 PolarHBondContact O-N 2.75Å; L111-N115 VanDerWaalsContact O-N 3.11Å; L111-F118 HydrophobicContact CD1-CD2 3.56Å; L111-F118 HydrophobicContact CD1-CE2 4.03Å; L111-F118 HydrophobicContact CD1-CG 4.25Å; L111-F118 HydrophobicContact CD2-CB 4.32Å; L111-F118 HydrophobicContact CD2-CD2 4.44Å; L111-F118 HydrophobicContact CD2-CG 4.33Å; L111-F118 HydrophobicContact CG-CB 4.07Å; L111-F118 HydrophobicContact CG-CD2 3.97Å; L111-F118 HydrophobicContact CG-CG 4.19Å; L111-F129 HydrophobicContact CD1-CD2 4.3Å; L111-F129 HydrophobicContact CD1-CE2 3.91Å; L111-F129 HydrophobicContact CD2-CD2 4.01Å; L111-F129 HydrophobicContact CD2-CE2 3.56Å; L111-F129 HydrophobicContact CD2-CZ 4.44Å; L111-F129 HydrophobicContact CG-CE2 4.39Å; L111-Y132 HydrophobicContact CD1-CD1 3.89Å; L111-Y132 HydrophobicContact CD1-CE1 3.41Å; L111-Y132 VanDerWaalsContact CD1-CE1 3.41Å
112K93.9Very high91.5Very high33 Ų3367.9 Ų67.914%0.14332%0.318CS..Hα-helixtrans-59.8-41.9178.7-69.5-169.6172.6-164.20112.3I108 K110 E114 F118 D119 N120I108-K112 HydrophobicContact CG2-CD 4.39Å; I108-K112 WeakPolarHBondContact O-CG 3.4Å; I108-K112 PolarHBondContact O-N 2.93Å; K110-K112 PolarHBondContact O-N 3.41Å; K112-E114 PolarHBondContact O-N 3.4Å; K112-F118 WeakPolarHBondContact CG-O 3.41Å; K112-D119 HydrophobicContact CB-CB 4.08Å; K112-N120 PolarHBondContact NZ-O 3.09Å
113R93.8Very high90.8Very high156 Ų15669.1 Ų69.159%0.58932%0.324SS*.Hα-helixtrans-66-33177.1-76.1-173.8-113.6148-2113.7E79 Q109 K110 L111E79-R113 IonicContact OE1-CZ 3.82Å; E79-R113 IonicContact OE1-NH1 2.98Å; E79-R113 PolarHBondContact OE1-NH1 2.91Å; E79-R113 IonicContact OE1-NH2 3.88Å; Q109-R113 WeakPolarHBondContact O-CG 3.28Å; Q109-R113 PolarHBondContact O-N 2.89Å; K110-R113 PolarHBondContact O-N 2.73Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 2.76Å
114E91.6Very high90.4Very high57 Ų5761 Ų6127%0.26629%0.294SS..Hα-helixtrans-89.4-20.4-175.2-70.9-162.6167.900114.4K110 L111 K112 Y132 K136K110-E114 HydrophobicContact CD-CG 4.12Å; K110-E114 WeakPolarHBondContact CE-OE1 3.18Å; K110-E114 IonicContact NZ-OE1 2.72Å; K110-E114 PolarHBondContact NZ-OE1 2.67Å; K110-E114 WeakPolarHBondContact O-CG 3.11Å; K110-E114 PolarHBondContact O-N 3.06Å; L111-E114 PolarHBondContact O-N 3.11Å; K112-E114 PolarHBondContact O-N 3.4Å; E114-Y132 WeakPolarHBondContact CB-OH 3.35Å; E114-K136 WeakPolarHBondContact OE2-CE 3.25Å; E114-K136 IonicContact OE2-NZ 3.49Å
115N89.9Confident90.2Very high39 Ų3962.8 Ų62.821%0.20930%0.303CS..  trans-146.4109177.3-176.7-5.4000110.4L111 L117 F118 Y132L111-N115 PolarHBondContact O-N 2.75Å; L111-N115 VanDerWaalsContact O-N 3.11Å; N115-L117 PolarHBondContact O-N 3.27Å; N115-L117 VanDerWaalsContact O-N 3.09Å; N115-L117 WeakPolarHBondContact OD1-CB 3.21Å; N115-L117 PolarHBondContact OD1-N 3.1Å; N115-F118 HydrophobicContact CB-CD2 3.85Å; N115-F118 HydrophobicContact CB-CE2 4.21Å; N115-F118 VanDerWaalsContact ND2-CE2 3.3Å; N115-F118 WeakPolarHBondContact ND2-CE2 3.44Å; N115-F118 PolarHBondContact O-N 2.84Å; N115-Y132 HydrophobicContact CB-CE1 4.43Å; N115-Y132 HydrophobicContact CB-CE2 3.72Å; N115-Y132 VanDerWaalsContact ND2-CD2 3.34Å; N115-Y132 WeakPolarHBondContact ND2-CD2 3.32Å; N115-Y132 VanDerWaalsContact ND2-CE2 3.3Å; N115-Y132 WeakPolarHBondContact ND2-CE2 3.47Å
116G86.4Confident90.2Very high57 Ų5757.2 Ų57.259%0.58828%0.279SS*.G310 helixtrans-60.1-19.2-179.400000114.2F118 D119G116-F118 PolarHBondContact O-N 3.35Å; G116-D119 PolarHBondContact O-N 3.03Å; G116-D119 VanDerWaalsContact O-N 3.12Å
117L86.1Confident90.3Very high69 Ų6952.3 Ų52.336%0.36126%0.258SS..G310 helixtrans-57.4-36.7172-174.471.7000112N115 N120 Q124 E128N115-L117 PolarHBondContact O-N 3.27Å; N115-L117 VanDerWaalsContact O-N 3.09Å; N115-L117 WeakPolarHBondContact OD1-CB 3.21Å; N115-L117 PolarHBondContact OD1-N 3.1Å; L117-N120 PolarHBondContact O-ND2 3.37Å; L117-Q124 PolarHBondContact O-NE2 3.4Å; L117-Q124 VanDerWaalsContact O-NE2 3.13Å; L117-E128 VanDerWaalsContact CD2-CD 3.46Å; L117-E128 HydrophobicContact CD2-CG 4.27Å; L117-E128 WeakPolarHBondContact CD2-OE1 3.35Å
118F85.2Confident90.2Very high1 Ų156.5 Ų56.50%0.00428%0.278CS..G310 helixtrans-92.9-6.6179.2-54.7-60.7000112.9Y48 L111 K112 N115 G116 N120 Q124 F129 Y132Y48-F118 AromaticContact CE2-CD1 3.86Å; Y48-F118 HydrophobicContact CE2-CD1 3.86Å; Y48-F118 HydrophobicContact CE2-CE1 4.05Å; Y48-F118 AromaticContact CZ-CD1 3.96Å; Y48-F118 WeakPolarHBondContact OH-CD1 3.3Å; L111-F118 HydrophobicContact CD1-CD2 3.56Å; L111-F118 HydrophobicContact CD1-CE2 4.03Å; L111-F118 HydrophobicContact CD1-CG 4.25Å; L111-F118 HydrophobicContact CD2-CB 4.32Å; L111-F118 HydrophobicContact CD2-CD2 4.44Å; L111-F118 HydrophobicContact CD2-CG 4.33Å; L111-F118 HydrophobicContact CG-CB 4.07Å; L111-F118 HydrophobicContact CG-CD2 3.97Å; L111-F118 HydrophobicContact CG-CG 4.19Å; K112-F118 WeakPolarHBondContact CG-O 3.41Å; N115-F118 HydrophobicContact CB-CD2 3.85Å; N115-F118 HydrophobicContact CB-CE2 4.21Å; N115-F118 VanDerWaalsContact ND2-CE2 3.3Å; N115-F118 WeakPolarHBondContact ND2-CE2 3.44Å; N115-F118 PolarHBondContact O-N 2.84Å; G116-F118 PolarHBondContact O-N 3.35Å; F118-N120 PolarHBondContact O-N 2.63Å; F118-Q124 HydrophobicContact CD1-CB 4.19Å; F118-Q124 HydrophobicContact CD1-CG 4.01Å; F118-Q124 HydrophobicContact CE1-CB 4.34Å; F118-F129 HydrophobicContact CE1-CB 4.17Å; F118-F129 HydrophobicContact CE1-CD2 4.45Å; F118-F129 HydrophobicContact CZ-CB 4.27Å; F118-F129 HydrophobicContact CZ-CD2 4.25Å; F118-Y132 HydrophobicContact CD2-CD1 4.39Å; F118-Y132 HydrophobicContact CD2-CE1 4.47Å; F118-Y132 AromaticContact CE2-CD1 3.57Å; F118-Y132 HydrophobicContact CE2-CD1 3.57Å; F118-Y132 HydrophobicContact CE2-CD2 4.22Å; F118-Y132 HydrophobicContact CE2-CE1 4.04Å; F118-Y132 AromaticContact CE2-CG 3.68Å; F118-Y132 HydrophobicContact CE2-CG 3.68Å; F118-Y132 HydrophobicContact CZ-CD1 4.33Å; F118-Y132 HydrophobicContact CZ-CG 4.24Å
119D86.2Confident90.2Very high100 Ų10056.1 Ų56.154%0.53528%0.276SS..SBendtrans-83.659.3180-167.225.4000112.4K112 G116K112-D119 HydrophobicContact CB-CB 4.08Å; G116-D119 PolarHBondContact O-N 3.03Å; G116-D119 VanDerWaalsContact O-N 3.12Å
120N83.5Confident90.4Very high43 Ų4352 Ų5223%0.2326%0.257CS..SBendtrans-153.7-179.3174.252.963.9000109.6K112 L117 F118 L122 Q124K112-N120 PolarHBondContact NZ-O 3.09Å; L117-N120 PolarHBondContact O-ND2 3.37Å; F118-N120 PolarHBondContact O-N 2.63Å; N120-L122 HydrophobicContact CB-CG 4.21Å; N120-L122 WeakPolarHBondContact OD1-CA 3.43Å; N120-L122 WeakPolarHBondContact OD1-CB 3.36Å; N120-L122 PolarHBondContact OD1-N 3.3Å; N120-L122 PolarHBondContact OD1-O 3.38Å; N120-Q124 PolarHBondContact ND2-NE2 3.43Å; N120-Q124 PolarHBondContact OD1-NE2 3.49Å
121Y80.6Confident90.5Very high172 Ų17252.8 Ų52.868%0.67526%0.262SS*.SBendtrans-103.520.9170.6-59.7-80.7000110.7N45N45-Y121 PolarHBondContact ND2-O 3.28Å
122L84Confident90.5Very high118 Ų11854.8 Ų54.862%0.61827%0.27SS*.SBendtrans-81.8156.1173.2-53.6176.1000108.9N120N120-L122 HydrophobicContact CB-CG 4.21Å; N120-L122 WeakPolarHBondContact OD1-CA 3.43Å; N120-L122 WeakPolarHBondContact OD1-CB 3.36Å; N120-L122 PolarHBondContact OD1-N 3.3Å; N120-L122 PolarHBondContact OD1-O 3.38Å
123Q81.4Confident90.7Very high52 Ų5253.2 Ų53.224%0.24326%0.263CS..  trans-74.4141.5171.4-62-173.3-23.500109.1N45 N318 R319 G320N45-Q123 HydrophobicContact CB-CG 4.16Å; Q123-N318 VanDerWaalsContact OE1-C 3.23Å; Q123-N318 PolarHBondContact OE1-O 3.39Å; Q123-N318 VanDerWaalsContact OE1-O 3.11Å; Q123-R319 VanDerWaalsContact OE1-C 3.25Å; Q123-R319 VanDerWaalsContact OE1-N 3.15Å; Q123-G320 PolarHBondContact NE2-O 2.88Å; Q123-G320 PolarHBondContact OE1-O 3.32Å
124Q89.3Confident91Very high18 Ų1845.8 Ų45.88%0.08424%0.235CC..  trans-124.1154.7-174-57.1-64.9-22.500109.4Y48 L117 F118 N120 A126 Y322Y48-Q124 WeakPolarHBondContact CB-O 3.39Å; Y48-Q124 HydrophobicContact CD1-CB 3.76Å; Y48-Q124 HydrophobicContact CD1-CG 4.34Å; Y48-Q124 HydrophobicContact CD2-CB 3.85Å; Y48-Q124 HydrophobicContact CE1-CB 3.67Å; Y48-Q124 HydrophobicContact CE1-CG 3.81Å; Y48-Q124 HydrophobicContact CE2-CB 3.78Å; Y48-Q124 HydrophobicContact CE2-CG 4.39Å; Y48-Q124 HydrophobicContact CG-CB 3.86Å; L117-Q124 PolarHBondContact O-NE2 3.4Å; L117-Q124 VanDerWaalsContact O-NE2 3.13Å; F118-Q124 HydrophobicContact CD1-CB 4.19Å; F118-Q124 HydrophobicContact CD1-CG 4.01Å; F118-Q124 HydrophobicContact CE1-CB 4.34Å; N120-Q124 PolarHBondContact ND2-NE2 3.43Å; N120-Q124 PolarHBondContact OD1-NE2 3.49Å; Q124-A126 PolarHBondContact O-N 3.26Å; Q124-Y322 WeakPolarHBondContact O-CE2 3.29Å
125D92.7Very high91.2Very high41 Ų4146.6 Ų46.622%0.21924%0.241CC..  trans-76123.9179.6-168-32.7000110.5H127 E128 F129 Y366D125-H127 VanDerWaalsContact C-N 3.26Å; D125-H127 PolarHBondContact O-N 3.48Å; D125-H127 WeakPolarHBondContact OD1-CB 3.28Å; D125-H127 PolarHBondContact OD1-N 2.8Å; D125-E128 HydrophobicContact CB-CB 3.93Å; D125-E128 PolarHBondContact O-N 2.93Å; D125-F129 PolarHBondContact O-N 3.46Å; D125-Y366 VanDerWaalsContact CG-OH 3.27Å; D125-Y366 WeakPolarHBondContact OD1-CE1 3.38Å; D125-Y366 PolarHBondContact OD1-OH 3.28Å; D125-Y366 PolarHBondContact OD2-OH 3.35Å
126A95.5Very high91.5Very high0 Ų047.8 Ų47.80%024%0.244CC..Hα-helixtrans-61.3-32.2176.300000113V52 Q124 L130 V310 Y322 Y366 I367V52-A126 HydrophobicContact CG2-CB 3.98Å; V52-A126 WeakPolarHBondContact CG2-O 3.31Å; Q124-A126 PolarHBondContact O-N 3.26Å; A126-L130 WeakPolarHBondContact O-CB 3.38Å; A126-L130 PolarHBondContact O-N 3.16Å; A126-V310 HydrophobicContact CB-CG1 4.16Å; A126-Y322 HydrophobicContact CB-CD1 3.72Å; A126-Y322 HydrophobicContact CB-CD2 4.46Å; A126-Y322 HydrophobicContact CB-CE1 3.49Å; A126-Y322 VanDerWaalsContact CB-CE1 3.49Å; A126-Y322 HydrophobicContact CB-CE2 4.27Å; A126-Y322 HydrophobicContact CB-CG 4.19Å; A126-Y366 HydrophobicContact CB-CD1 4.43Å; A126-Y366 HydrophobicContact CB-CE1 4.36Å; A126-I367 HydrophobicContact CB-CD1 4.39Å
127H96Very high92Very high25 Ų2545.1 Ų45.112%0.11622%0.216CC..Hα-helixtrans-71.1-41.2177179-113.4000111.5D125 L130 N131 D205 S207 H262 Y366 I367D125-H127 VanDerWaalsContact C-N 3.26Å; D125-H127 PolarHBondContact O-N 3.48Å; D125-H127 WeakPolarHBondContact OD1-CB 3.28Å; D125-H127 PolarHBondContact OD1-N 2.8Å; H127-L130 PolarHBondContact O-N 2.98Å; H127-N131 PolarHBondContact CE1-ND2 3.37Å; H127-N131 PolarHBondContact NE2-ND2 2.94Å; H127-N131 VanDerWaalsContact NE2-ND2 3.13Å; H127-N131 PolarHBondContact O-N 2.93Å; H127-N131 PolarHBondContact O-ND2 3.13Å; H127-D205 IonicContact CD2-OD2 3.81Å; H127-D205 IonicContact CE1-OD2 2.67Å; H127-D205 VanDerWaalsContact NE2-CG 3.25Å; H127-D205 IonicContact NE2-OD1 3.53Å; H127-D205 PolarHBondContact NE2-OD1 2.86Å; H127-D205 IonicContact NE2-OD2 3.04Å; H127-D205 PolarHBondContact NE2-OD2 2.87Å; H127-S207 PolarHBondContact CE1-OG 2.81Å; H127-S207 PolarHBondContact NE2-OG 2.99Å; H127-H262 VanDerWaalsContact CD2-CB 3.4Å; H127-H262 WeakPolarHBondContact CD2-CB 3.39Å; H127-H262 AromaticContact CD2-CG 3.44Å; H127-H262 VanDerWaalsContact CD2-CG 3.44Å; H127-H262 AromaticContact CD2-ND1 3.69Å; H127-H262 AromaticContact CE1-CE1 3.88Å; H127-H262 AromaticContact CE1-CG 3.87Å; H127-H262 AromaticContact CE1-ND1 3.3Å; H127-H262 PolarHBondContact CE1-ND1 2.92Å; H127-H262 VanDerWaalsContact CE1-ND1 3.3Å; H127-H262 AromaticContact CG-CD2 3.86Å; H127-H262 AromaticContact CG-CE1 3.84Å; H127-H262 AromaticContact CG-CG 3.61Å; H127-H262 AromaticContact CG-ND1 3.61Å; H127-H262 AromaticContact ND1-CE1 3.54Å; H127-H262 AromaticContact ND1-CG 3.9Å; H127-H262 AromaticContact ND1-ND1 3.39Å; H127-H262 PolarHBondContact ND1-ND1 3.35Å; H127-H262 WeakPolarHBondContact NE2-CB 3.48Å; H127-H262 AromaticContact NE2-CG 3.59Å; H127-H262 AromaticContact NE2-ND1 3.47Å; H127-H262 PolarHBondContact NE2-ND1 3.11Å; H127-Y366 HydrophobicContact CB-CE1 3.92Å; H127-I367 HydrophobicContact CB-CD1 4.08Å
128E95.1Very high92.4Very high90 Ų9041.9 Ų41.942%0.42120%0.2SC..Hα-helixtrans-63.5-42.8174-174.8171.3-145.400111.2L117 D125 N131 Y132L117-E128 VanDerWaalsContact CD2-CD 3.46Å; L117-E128 HydrophobicContact CD2-CG 4.27Å; L117-E128 WeakPolarHBondContact CD2-OE1 3.35Å; D125-E128 HydrophobicContact CB-CB 3.93Å; D125-E128 PolarHBondContact O-N 2.93Å; E128-N131 PolarHBondContact O-N 2.87Å; E128-Y132 WeakPolarHBondContact O-CB 3.36Å; E128-Y132 PolarHBondContact O-N 3.34Å
129F96.9Very high92.9Very high0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-62.5-44.5174.6172.3-110.9000112.8Y48 C49 V52 I53 F107 L111 F118 D125 N131 Y132 L133Y48-F129 HydrophobicContact CD2-CB 3.64Å; Y48-F129 HydrophobicContact CD2-CD1 4.3Å; Y48-F129 AromaticContact CD2-CG 3.91Å; Y48-F129 HydrophobicContact CD2-CG 3.91Å; Y48-F129 HydrophobicContact CE2-CB 3.78Å; Y48-F129 HydrophobicContact CE2-CD1 4.49Å; Y48-F129 HydrophobicContact CE2-CD2 4.04Å; Y48-F129 AromaticContact CE2-CG 3.83Å; Y48-F129 HydrophobicContact CE2-CG 3.83Å; C49-F129 HydrophobicContact CB-CD1 4.37Å; C49-F129 HydrophobicContact CB-CE1 4.11Å; C49-F129 HydrophobicContact CB-CZ 4.25Å; C49-F129 WeakPolarHBondContact SG-CZ 3.36Å; V52-F129 HydrophobicContact CB-CD1 3.68Å; V52-F129 HydrophobicContact CB-CE1 3.75Å; V52-F129 HydrophobicContact CG1-CD1 3.85Å; V52-F129 HydrophobicContact CG1-CE1 3.77Å; V52-F129 HydrophobicContact CG2-CD1 3.97Å; I53-F129 HydrophobicContact CG1-CE1 4.29Å; I53-F129 HydrophobicContact CG1-CZ 4.38Å; F107-F129 HydrophobicContact CE1-CE2 4.33Å; F107-F129 AromaticContact CE1-CZ 3.95Å; F107-F129 HydrophobicContact CE1-CZ 3.95Å; F107-F129 HydrophobicContact CZ-CE2 4.38Å; F107-F129 AromaticContact CZ-CZ 3.99Å; F107-F129 HydrophobicContact CZ-CZ 3.99Å; L111-F129 HydrophobicContact CD1-CD2 4.3Å; L111-F129 HydrophobicContact CD1-CE2 3.91Å; L111-F129 HydrophobicContact CD2-CD2 4.01Å; L111-F129 HydrophobicContact CD2-CE2 3.56Å; L111-F129 HydrophobicContact CD2-CZ 4.44Å; L111-F129 HydrophobicContact CG-CE2 4.39Å; F118-F129 HydrophobicContact CE1-CB 4.17Å; F118-F129 HydrophobicContact CE1-CD2 4.45Å; F118-F129 HydrophobicContact CZ-CB 4.27Å; F118-F129 HydrophobicContact CZ-CD2 4.25Å; D125-F129 PolarHBondContact O-N 3.46Å; F129-N131 VanDerWaalsContact C-N 3.32Å; F129-N131 PolarHBondContact O-N 3.22Å; F129-Y132 PolarHBondContact O-N 3.23Å; F129-L133 HydrophobicContact CE1-CD2 4.15Å; F129-L133 HydrophobicContact CE2-CB 4.35Å; F129-L133 HydrophobicContact CZ-CB 4.33Å; F129-L133 HydrophobicContact CZ-CD2 3.87Å; F129-L133 VanDerWaalsContact O-CB 3.29Å; F129-L133 WeakPolarHBondContact O-CB 3.41Å; F129-L133 PolarHBondContact O-N 2.84Å
130L98.3Very high93.2Very high0 Ų041.5 Ų41.50%020%0.197CC..Hα-helixtrans-56.5-49.1175.8173.464.6000110.7V52 L56 A126 H127 L133 L134 A260 I367 F369V52-L130 HydrophobicContact CG1-CB 4.03Å; V52-L130 HydrophobicContact CG1-CD1 3.8Å; V52-L130 HydrophobicContact CG2-CB 4.33Å; L56-L130 HydrophobicContact CD1-CD1 4.15Å; L56-L130 HydrophobicContact CD2-CD1 4.24Å; L56-L130 HydrophobicContact CG-CD1 4.47Å; A126-L130 WeakPolarHBondContact O-CB 3.38Å; A126-L130 PolarHBondContact O-N 3.16Å; H127-L130 PolarHBondContact O-N 2.98Å; L130-L133 PolarHBondContact O-N 3.31Å; L130-L134 HydrophobicContact CD1-CD1 3.86Å; L130-L134 HydrophobicContact CD1-CG 4Å; L130-L134 HydrophobicContact CG-CD1 4.2Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 3.36Å; L130-A260 HydrophobicContact CD2-CB 4.2Å; L130-I367 HydrophobicContact CD2-CD1 4.19Å; L130-I367 HydrophobicContact CD2-CG2 4.16Å; L130-F369 HydrophobicContact CD1-CE1 4.35Å; L130-F369 HydrophobicContact CD1-CZ 4.27Å; L130-F369 HydrophobicContact CD2-CE1 4.3Å; L130-F369 HydrophobicContact CD2-CZ 3.92Å
131N97.7Very high93.6Very high36 Ų3639.9 Ų39.919%0.19319%0.189CC..Hα-helixtrans-61.3-47.2178.8-92.2-56000112.3H127 E128 F129 L133 N135 D205H127-N131 PolarHBondContact CE1-ND2 3.37Å; H127-N131 PolarHBondContact NE2-ND2 2.94Å; H127-N131 VanDerWaalsContact NE2-ND2 3.13Å; H127-N131 PolarHBondContact O-N 2.93Å; H127-N131 PolarHBondContact O-ND2 3.13Å; E128-N131 PolarHBondContact O-N 2.87Å; F129-N131 VanDerWaalsContact C-N 3.32Å; F129-N131 PolarHBondContact O-N 3.22Å; N131-L133 VanDerWaalsContact C-N 3.35Å; N131-L133 PolarHBondContact O-N 3.24Å; N131-N135 WeakPolarHBondContact O-CB 3.43Å; N131-N135 PolarHBondContact O-N 3.32Å; N131-N135 VanDerWaalsContact O-N 3.14Å; N131-N135 PolarHBondContact O-ND2 3.01Å; N131-D205 PolarHBondContact ND2-OD1 3.45Å; N131-D205 PolarHBondContact OD1-OD1 2.86Å
132Y97.6Very high94.1Very high43 Ų4335.7 Ų35.717%0.16917%0.172CC..Hα-helixtrans-57.5-48.9175.5171.4-97.4000111.3L81 L111 E114 N115 F118 E128 F129 K136L81-Y132 HydrophobicContact CD2-CD1 4.5Å; L81-Y132 HydrophobicContact CD2-CE1 3.76Å; L111-Y132 HydrophobicContact CD1-CD1 3.89Å; L111-Y132 HydrophobicContact CD1-CE1 3.41Å; L111-Y132 VanDerWaalsContact CD1-CE1 3.41Å; E114-Y132 WeakPolarHBondContact CB-OH 3.35Å; N115-Y132 HydrophobicContact CB-CE1 4.43Å; N115-Y132 HydrophobicContact CB-CE2 3.72Å; N115-Y132 VanDerWaalsContact ND2-CD2 3.34Å; N115-Y132 WeakPolarHBondContact ND2-CD2 3.32Å; N115-Y132 VanDerWaalsContact ND2-CE2 3.3Å; N115-Y132 WeakPolarHBondContact ND2-CE2 3.47Å; F118-Y132 HydrophobicContact CD2-CD1 4.39Å; F118-Y132 HydrophobicContact CD2-CE1 4.47Å; F118-Y132 AromaticContact CE2-CD1 3.57Å; F118-Y132 HydrophobicContact CE2-CD1 3.57Å; F118-Y132 HydrophobicContact CE2-CD2 4.22Å; F118-Y132 HydrophobicContact CE2-CE1 4.04Å; F118-Y132 AromaticContact CE2-CG 3.68Å; F118-Y132 HydrophobicContact CE2-CG 3.68Å; F118-Y132 HydrophobicContact CZ-CD1 4.33Å; F118-Y132 HydrophobicContact CZ-CG 4.24Å; E128-Y132 WeakPolarHBondContact O-CB 3.36Å; E128-Y132 PolarHBondContact O-N 3.34Å; F129-Y132 PolarHBondContact O-N 3.23Å; Y132-K136 HydrophobicContact CE1-CB 4.43Å; Y132-K136 WeakPolarHBondContact O-CB 3.46Å; Y132-K136 PolarHBondContact O-N 3.35Å
133L98.2Very high94.4Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-61.8-49.1-176.1-17961.9000111.8L56 L81 F107 F129 L130 N131 K136 I137L56-L133 HydrophobicContact CD1-CD2 3.69Å; L81-L133 HydrophobicContact CD2-CD1 3.59Å; L81-L133 HydrophobicContact CG-CD1 4.04Å; F107-L133 HydrophobicContact CE2-CD1 4.19Å; F107-L133 HydrophobicContact CZ-CD1 3.92Å; F129-L133 HydrophobicContact CE1-CD2 4.15Å; F129-L133 HydrophobicContact CE2-CB 4.35Å; F129-L133 HydrophobicContact CZ-CB 4.33Å; F129-L133 HydrophobicContact CZ-CD2 3.87Å; F129-L133 VanDerWaalsContact O-CB 3.29Å; F129-L133 WeakPolarHBondContact O-CB 3.41Å; F129-L133 PolarHBondContact O-N 2.84Å; L130-L133 PolarHBondContact O-N 3.31Å; N131-L133 VanDerWaalsContact C-N 3.35Å; N131-L133 PolarHBondContact O-N 3.24Å; L133-K136 PolarHBondContact O-N 3.46Å; L133-I137 HydrophobicContact CD1-CD1 3.78Å; L133-I137 HydrophobicContact CD1-CG1 4.2Å; L133-I137 HydrophobicContact CG-CD1 3.92Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 VanDerWaalsContact O-CG1 3.26Å; L133-I137 WeakPolarHBondContact O-CG1 3.11Å; L133-I137 PolarHBondContact O-N 2.79Å
134L98.2Very high94.6Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-63.6-46.1-178.6-66.8-178.8000111.7F62 L130 I137 A138 I176 F180 L204F62-L134 HydrophobicContact CE2-CD2 4.14Å; L130-L134 HydrophobicContact CD1-CD1 3.86Å; L130-L134 HydrophobicContact CD1-CG 4Å; L130-L134 HydrophobicContact CG-CD1 4.2Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 3.36Å; L134-I137 PolarHBondContact O-N 3.14Å; L134-A138 WeakPolarHBondContact O-CB 3.36Å; L134-A138 PolarHBondContact O-N 3.38Å; L134-I176 HydrophobicContact CB-CG2 4.4Å; L134-I176 HydrophobicContact CD2-CD1 4.13Å; L134-F180 HydrophobicContact CD1-CD1 3.95Å; L134-F180 HydrophobicContact CD1-CD2 4.34Å; L134-F180 HydrophobicContact CD1-CE1 4.19Å; L134-F180 HydrophobicContact CD1-CG 4.03Å; L134-F180 HydrophobicContact CD2-CD2 4.01Å; L134-F180 HydrophobicContact CD2-CE2 3.78Å; L134-F180 HydrophobicContact CD2-CZ 4.06Å; L134-L204 HydrophobicContact CB-CD1 4.08Å; L134-L204 HydrophobicContact CD1-CB 4.39Å
135N96.4Very high94.3Very high74 Ų7439.2 Ų39.240%0.39620%0.197SC..Hα-helixtrans-64.7-42.9177.6-73.6-61.6000111.4N131 I137 A138 D139N131-N135 WeakPolarHBondContact O-CB 3.43Å; N131-N135 PolarHBondContact O-N 3.32Å; N131-N135 VanDerWaalsContact O-N 3.14Å; N131-N135 PolarHBondContact O-ND2 3.01Å; N135-I137 PolarHBondContact O-N 3.4Å; N135-A138 WeakPolarHBondContact O-CB 3.43Å; N135-A138 PolarHBondContact O-N 2.89Å; N135-A138 VanDerWaalsContact O-N 3.16Å; N135-D139 PolarHBondContact O-N 3.4Å
136K96.4Very high93.4Very high65 Ų6542.2 Ų42.228%0.28321%0.21SC..Hα-helixtrans-62.7-42.5179.2-17457.1169.1-177.40112.2L81 E114 Y132 L133 D139 I140L81-K136 HydrophobicContact CB-CG 4.45Å; L81-K136 HydrophobicContact CD2-CB 4.35Å; L81-K136 HydrophobicContact CD2-CG 3.97Å; E114-K136 WeakPolarHBondContact OE2-CE 3.25Å; E114-K136 IonicContact OE2-NZ 3.49Å; Y132-K136 HydrophobicContact CE1-CB 4.43Å; Y132-K136 WeakPolarHBondContact O-CB 3.46Å; Y132-K136 PolarHBondContact O-N 3.35Å; L133-K136 PolarHBondContact O-N 3.46Å; K136-D139 PolarHBondContact O-N 2.93Å; K136-I140 HydrophobicContact CG-CD1 4.16Å; K136-I140 WeakPolarHBondContact O-CD1 3.23Å; K136-I140 VanDerWaalsContact O-CG1 3.25Å; K136-I140 WeakPolarHBondContact O-CG1 3.49Å; K136-I140 PolarHBondContact O-N 2.85Å
137I96.1Very high91.6Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-63.4-43.9174.5-69.8171.2000110.4F62 L82 L85 L133 L134 N135 D139 I140 I141 W175 I176F62-I137 HydrophobicContact CE2-CD1 4.4Å; F62-I137 HydrophobicContact CZ-CD1 4.03Å; L82-I137 HydrophobicContact CB-CG1 4.37Å; L82-I137 HydrophobicContact CD1-CD1 4.29Å; L82-I137 HydrophobicContact CD1-CG1 4.23Å; L82-I137 HydrophobicContact CD1-CG2 3.89Å; L82-I137 HydrophobicContact CD2-CG2 4.13Å; L82-I137 HydrophobicContact CG-CG2 4.44Å; L85-I137 HydrophobicContact CD2-CD1 3.72Å; L133-I137 HydrophobicContact CD1-CD1 3.78Å; L133-I137 HydrophobicContact CD1-CG1 4.2Å; L133-I137 HydrophobicContact CG-CD1 3.92Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 VanDerWaalsContact O-CG1 3.26Å; L133-I137 WeakPolarHBondContact O-CG1 3.11Å; L133-I137 PolarHBondContact O-N 2.79Å; L134-I137 PolarHBondContact O-N 3.14Å; N135-I137 PolarHBondContact O-N 3.4Å; I137-D139 VanDerWaalsContact C-N 3.3Å; I137-D139 PolarHBondContact O-N 2.98Å; I137-I140 PolarHBondContact O-N 3.15Å; I137-I141 HydrophobicContact CG2-CD1 3.75Å; I137-I141 HydrophobicContact CG2-CG1 4.48Å; I137-I141 VanDerWaalsContact O-CD1 3.3Å; I137-I141 WeakPolarHBondContact O-CD1 3.44Å; I137-I141 VanDerWaalsContact O-CG1 3.28Å; I137-I141 WeakPolarHBondContact O-CG1 3.45Å; I137-I141 PolarHBondContact O-N 3.07Å; I137-W175 HydrophobicContact CG2-CH2 3.57Å; I137-W175 HydrophobicContact CG2-CZ2 3.82Å; I137-W175 HydrophobicContact CG2-CZ3 4.41Å; I137-I176 HydrophobicContact CB-CD1 4.14Å; I137-I176 HydrophobicContact CB-CG1 4.29Å; I137-I176 HydrophobicContact CG2-CD1 3.65Å; I137-I176 HydrophobicContact CG2-CG1 3.69Å
138A95.8Very high89.3Confident1 Ų154.5 Ų54.51%0.00828%0.28CS..Hα-helixtrans-59.2-41.5177.400000112.2L134 N135 I141 R142 N174 I176L134-A138 WeakPolarHBondContact O-CB 3.36Å; L134-A138 PolarHBondContact O-N 3.38Å; N135-A138 WeakPolarHBondContact O-CB 3.43Å; N135-A138 PolarHBondContact O-N 2.89Å; N135-A138 VanDerWaalsContact O-N 3.16Å; A138-I141 PolarHBondContact O-N 2.75Å; A138-R142 WeakPolarHBondContact O-CB 3.3Å; A138-R142 PolarHBondContact O-N 3.05Å; A138-N174 WeakPolarHBondContact CA-ND2 3.3Å; A138-N174 PolarHBondContact O-ND2 3.16Å; A138-I176 HydrophobicContact CB-CB 4.19Å; A138-I176 HydrophobicContact CB-CG1 4.32Å; A138-I176 HydrophobicContact CB-CG2 4.22Å
139D94.4Very high86.9Confident75 Ų7552.9 Ų52.940%0.40129%0.287SS..Hα-helixtrans-69.5-39.3177.7-70.6-24.7000112.7N135 K136 I137 I141 R142 A143N135-D139 PolarHBondContact O-N 3.4Å; K136-D139 PolarHBondContact O-N 2.93Å; I137-D139 VanDerWaalsContact C-N 3.3Å; I137-D139 PolarHBondContact O-N 2.98Å; D139-I141 VanDerWaalsContact C-N 3.34Å; D139-I141 PolarHBondContact O-N 3.03Å; D139-R142 PolarHBondContact O-N 3.09Å; D139-R142 IonicContact OD1-CZ 2.87Å; D139-R142 IonicContact OD1-NH1 3.53Å; D139-R142 PolarHBondContact OD1-NH1 3.33Å; D139-R142 IonicContact OD1-NH2 3.61Å; D139-A143 WeakPolarHBondContact O-CB 3.22Å; D139-A143 PolarHBondContact O-N 3.23Å
140I93.1Very high84.2Confident18 Ų1859.3 Ų59.39%0.09233%0.327CS..Hα-helixtrans-57.4-48.7174.1-71.6160.2000110.1T80 L81 L82 K136 I137 R142 A143 E144T80-I140 HydrophobicContact CG2-CG1 4.47Å; T80-I140 HydrophobicContact CG2-CG2 4.21Å; L81-I140 HydrophobicContact CB-CD1 4.26Å; L82-I140 HydrophobicContact CB-CD1 4.04Å; L82-I140 HydrophobicContact CB-CG2 4.24Å; L82-I140 HydrophobicContact CD2-CG2 4.21Å; K136-I140 HydrophobicContact CG-CD1 4.16Å; K136-I140 WeakPolarHBondContact O-CD1 3.23Å; K136-I140 VanDerWaalsContact O-CG1 3.25Å; K136-I140 WeakPolarHBondContact O-CG1 3.49Å; K136-I140 PolarHBondContact O-N 2.85Å; I137-I140 PolarHBondContact O-N 3.15Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 2.76Å; I140-A143 PolarHBondContact O-N 3.21Å; I140-E144 WeakPolarHBondContact O-CG 3.45Å; I140-E144 PolarHBondContact O-N 2.73Å
141I92.4Very high81.4Confident9 Ų966 Ų665%0.04636%0.362CS..Hα-helixtrans-63.8-40.7180-60.4153.2000110.8L82 I137 A138 D139 E144 Q145 N174 W175 I176L82-I141 HydrophobicContact CD2-CG1 4.03Å; I137-I141 HydrophobicContact CG2-CD1 3.75Å; I137-I141 HydrophobicContact CG2-CG1 4.48Å; I137-I141 VanDerWaalsContact O-CD1 3.3Å; I137-I141 WeakPolarHBondContact O-CD1 3.44Å; I137-I141 VanDerWaalsContact O-CG1 3.28Å; I137-I141 WeakPolarHBondContact O-CG1 3.45Å; I137-I141 PolarHBondContact O-N 3.07Å; A138-I141 PolarHBondContact O-N 2.75Å; D139-I141 VanDerWaalsContact C-N 3.34Å; D139-I141 PolarHBondContact O-N 3.03Å; I141-E144 PolarHBondContact O-N 3.26Å; I141-Q145 WeakPolarHBondContact O-CG 3.32Å; I141-Q145 PolarHBondContact O-N 3.16Å; I141-N174 HydrophobicContact CB-CB 4.32Å; I141-N174 HydrophobicContact CD1-CB 4.45Å; I141-N174 HydrophobicContact CG2-CB 3.67Å; I141-W175 HydrophobicContact CD1-CD2 4.03Å; I141-W175 HydrophobicContact CD1-CG 4.45Å; I141-W175 HydrophobicContact CD1-CH2 4.31Å; I141-W175 HydrophobicContact CD1-CZ2 3.46Å; I141-W175 VanDerWaalsContact CD1-CZ2 3.46Å; I141-W175 VanDerWaalsContact CD1-NE1 3.29Å; I141-W175 HydrophobicContact CG1-CZ2 4.3Å; I141-I176 HydrophobicContact CD1-CG1 4.12Å
142R91.5Very high78.5Confident84 Ų8469.4 Ų69.432%0.31740%0.396SS..Hα-helixtrans-63-44.9178.6-172.3-173.3-58.8134.54.9111.4A138 D139 I140 E144 Q145 Q146A138-R142 WeakPolarHBondContact O-CB 3.3Å; A138-R142 PolarHBondContact O-N 3.05Å; D139-R142 PolarHBondContact O-N 3.09Å; D139-R142 IonicContact OD1-CZ 2.87Å; D139-R142 IonicContact OD1-NH1 3.53Å; D139-R142 PolarHBondContact OD1-NH1 3.33Å; D139-R142 IonicContact OD1-NH2 3.61Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 2.76Å; R142-E144 PolarHBondContact O-N 3.06Å; R142-Q145 PolarHBondContact O-N 3.39Å; R142-Q145 VanDerWaalsContact O-N 3.09Å; R142-Q146 PolarHBondContact O-N 3Å
143A89.4Confident75.4Confident72 Ų7276.2 Ų76.260%0.59543%0.429SS*.Hα-helixtrans-61.7-30.5178.700000112.5D139 I140D139-A143 WeakPolarHBondContact O-CB 3.22Å; D139-A143 PolarHBondContact O-N 3.23Å; I140-A143 PolarHBondContact O-N 3.21Å
144E86.2Confident72.3Confident81 Ų8182.4 Ų82.438%0.37946%0.462SS..Hα-helixtrans-79.4-20.8175.5-68.2-179.5-164.800114.1Y69 K77 I140 I141 R142Y69-E144 PolarHBondContact OH-OE1 2.82Å; K77-E144 IonicContact NZ-OE1 2.72Å; K77-E144 IonicContact NZ-OE2 3.79Å; K77-E144 PolarHBondContact NZ-OE2 3.04Å; I140-E144 WeakPolarHBondContact O-CG 3.45Å; I140-E144 PolarHBondContact O-N 2.73Å; I141-E144 PolarHBondContact O-N 3.26Å; R142-E144 PolarHBondContact O-N 3.06Å
145Q82.2Confident69.6Low110 Ų11088.9 Ų88.951%0.51450%0.504SS..Hα-helixtrans-87.7-18178.8-73.2174.4-15.300113.1I141 R142I141-Q145 WeakPolarHBondContact O-CG 3.32Å; I141-Q145 PolarHBondContact O-N 3.16Å; R142-Q145 PolarHBondContact O-N 3.39Å; R142-Q145 VanDerWaalsContact O-N 3.09Å
146Q73.6Confident66.7Low104 Ų10489.4 Ų89.449%0.48651%0.513SS..SBendtrans-75.2126.9173.8-66.7-66.7-16.800109.2R142 I148R142-Q146 PolarHBondContact O-N 3Å; Q146-I148 PolarHBondContact O-N 3.26Å
147P57.5Low63.5Low101 Ų10193.4 Ų93.466%0.65654%0.538SS*.  trans-61.1127.5175.918.3-23.3000110.1G149P147-G149 PolarHBondContact O-N 2.99Å; P147-G149 VanDerWaalsContact O-N 3.16Å
148I49.2Very low60.2Low182 Ų18299.1 Ų99.193%0.93358%0.576SS**SBendtrans-68.8106.3168.7-58.5169.8000106.2Q146Q146-I148 PolarHBondContact O-N 3.26Å
149G44.4Very low57.1Low55 Ų55107.7 Ų107.757%0.56762%0.616SS**  trans118.859.1168.400000116.9P147P147-G149 PolarHBondContact O-N 2.99Å; P147-G149 VanDerWaalsContact O-N 3.16Å
150V39.7Very low54Low136 Ų136113.3 Ų113.382%0.82464%0.642SS**  trans-107.585.9137.5-130.20000104.8A152V150-A152 PolarHBondContact O-N 3.22Å
151D38.9Very low51.1Low140 Ų140117.9 Ų117.975%0.74967%0.671SS**  trans-53.4123.9166.4-69.5-54.9000107.1E153D151-E153 PolarHBondContact O-N 2.94Å
152A38Very low48.4Very low108 Ų108123.9 Ų123.989%0.89370%0.704SS**  trans-68.786.3173.300000107.8V150 D154V150-A152 PolarHBondContact O-N 3.22Å; A152-D154 PolarHBondContact O-N 3.27Å
153E32.7Very low45.8Very low185 Ų185124.2 Ų124.286%0.86472%0.715SS**  trans-66.1113.5160.4-71.2-170.6168.400108.2D151D151-E153 PolarHBondContact O-N 2.94Å
154D31.8Very low43.5Very low131 Ų131123.8 Ų123.870%0.70171%0.708SS**  trans47.2110.9152.6-145.34.1000119.5A152 S156A152-D154 PolarHBondContact O-N 3.27Å; D154-S156 PolarHBondContact O-N 2.79Å
155P41.2Very low41.4Very low135 Ų135126.6 Ų126.688%0.87772%0.72SS**  trans-81.880170.833.8-30.5000110.5
156S36.2Very low39.4Very low85 Ų85124.7 Ų124.759%0.59472%0.72SS**  trans-113.4113.7158.468.30000109.9D154D154-S156 PolarHBondContact O-N 2.79Å
157D30.4Very low37.7Very low150 Ų150125.3 Ų125.380%0.80273%0.726SS**SBendtrans75140163.2-60.1-28.2000119.9
158C25.9Very low37.2Very low119 Ų119130.4 Ų130.480%0.80473%0.732SS**  trans95.190.9159.8-38.90000117.8
159E29.8Very low37.1Very low182 Ų182129.1 Ų129.185%0.8572%0.72SS**  53114.1129.4-64.6-173.3166.100119.7T161E159-T161 VanDerWaalsContact C-N 3.28Å; E159-T161 PolarHBondContact O-N 2.84Å
160M30Very low37.4Very low192 Ų192134.2 Ų134.295%0.94673%0.729SS**  trans-42.777.8164.6-137.8177.979.100112.9D162M160-D162 PolarHBondContact O-N 3.45Å
161T32.1Very low38.4Very low114 Ų114131.4 Ų131.470%0.69972%0.715SS**  trans-75.6110.7160.246.90000106.7E159 V163E159-T161 VanDerWaalsContact C-N 3.28Å; E159-T161 PolarHBondContact O-N 2.84Å; T161-V163 PolarHBondContact O-N 3.18Å
162D36.3Very low40.1Very low136 Ų136125.2 Ų125.273%0.72768%0.684SS**  trans-61.775.2167.7-1699.7000107.9M160 S164M160-D162 PolarHBondContact O-N 3.45Å; D162-S164 PolarHBondContact O-N 3.18Å
163V36.4Very low42.4Very low90 Ų90124.8 Ų124.855%0.54566%0.66SS.*  trans-71.581.3168.3-175.30000105.4T161 E165T161-V163 PolarHBondContact O-N 3.18Å; V163-E165 PolarHBondContact O-N 2.76Å
164S41.7Very low45.3Very low64 Ų64116.2 Ų116.245%0.44862%0.619SS.*  trans2.2110.3168.9-46.60000113.6D162 S166 N167D162-S164 PolarHBondContact O-N 3.18Å; S164-S166 VanDerWaalsContact CB-OG 3.25Å; S164-S166 WeakPolarHBondContact CB-OG 3.48Å; S164-S166 PolarHBondContact O-N 2.79Å; S164-N167 PolarHBondContact O-N 3.41Å
165E41.3Very low48.3Very low139 Ų139111.4 Ų111.465%0.6559%0.592SS**Hα-helixtrans-46.1-18.9172.1-71.1-175.5145.900114.2V163 K169V163-E165 PolarHBondContact O-N 2.76Å; E165-K169 WeakPolarHBondContact O-CG 3.3Å; E165-K169 PolarHBondContact O-N 2.8Å
166S40.8Very low51Low71 Ų71105 Ų10550%0.49755%0.55SS..Hα-helixtrans-62.6-39.2174.153.50000114S164 K169S164-S166 VanDerWaalsContact CB-OG 3.25Å; S164-S166 WeakPolarHBondContact CB-OG 3.48Å; S164-S166 PolarHBondContact O-N 2.79Å; S166-K169 PolarHBondContact O-N 2.84Å
167N37.4Very low53.9Low116 Ų116101.9 Ų101.962%0.6253%0.526SS*.Hα-helixtrans-73-31.5-178-88.7-7.9000112.7S164S164-N167 PolarHBondContact O-N 3.41Å
168R47Very low57Low208 Ų20899.5 Ų99.579%0.78551%0.51SS*.Hα-helixtrans-70.4-30.4173.1-69.5-178.5-178.9161.51.1112.6
169K46.4Very low60.4Low156 Ų15694.1 Ų94.168%0.67847%0.473SS*.Hα-helixtrans-72.4-28.4-179-78.3175-178165.70114.1E165 S166E165-K169 WeakPolarHBondContact O-CG 3.3Å; E165-K169 PolarHBondContact O-N 2.8Å; S166-K169 PolarHBondContact O-N 2.84Å
170H50.7Low63.7Low161 Ų16185.4 Ų85.475%0.74543%0.433SS*.Hα-helixtrans-89.4-22.3178.2-79.123.8000113.8G172H170-G172 PolarHBondContact O-N 3.01Å
171S60.5Low66.9Low77 Ų7777.7 Ų77.754%0.53839%0.394SS..THydrogen-bonded Turntrans-67.7-15.6-177.4-178.50000114.3
172G75.7Confident69.9Low10 Ų1072.3 Ų72.310%0.10336%0.361CS..THydrogen-bonded Turntrans-98.97.3-175.800000117H170 H177H170-G172 PolarHBondContact O-N 3.01Å; G172-H177 PolarHBondContact O-CE1 2.93Å
173R85.4Confident72.6Confident100 Ų10066.3 Ų66.338%0.37733%0.33SS..  trans-77.8131.1-174.4-169.8-179.4170.381.98.1111.2H177R173-H177 HydrophobicContact CG-CB 3.77Å; R173-H177 PolarHBondContact NH1-O 2.9Å; R173-H177 PolarHBondContact NH2-O 3.33Å
174N93.8Very high75.4Confident4 Ų462.5 Ų62.52%0.02131%0.307CS..  trans-141-174179.760.640.4000111.1A138 I141 I176 H177 E178A138-N174 WeakPolarHBondContact CA-ND2 3.3Å; A138-N174 PolarHBondContact O-ND2 3.16Å; I141-N174 HydrophobicContact CB-CB 4.32Å; I141-N174 HydrophobicContact CD1-CB 4.45Å; I141-N174 HydrophobicContact CG2-CB 3.67Å; N174-I176 PolarHBondContact O-N 2.77Å; N174-I176 VanDerWaalsContact O-N 3.15Å; N174-I176 WeakPolarHBondContact OD1-CB 2.86Å; N174-I176 PolarHBondContact OD1-N 3.05Å; N174-H177 PolarHBondContact N-ND1 3.31Å; N174-H177 CarbonylContact O-C 3.56Å; N174-H177 WeakPolarHBondContact O-CA 3.3Å; N174-H177 WeakPolarHBondContact O-CB 3.32Å; N174-H177 PolarHBondContact O-N 3.11Å; N174-H177 PolarHBondContact OD1-ND1 2.81Å; N174-E178 PolarHBondContact O-N 2.96Å
175W95.7Very high77.9Confident30 Ų3060 Ų6011%0.11429%0.289CS..Hα-helixtrans-62.5-22.2-17559-103000114.7F62 K65 V66 L82 I137 I141 H177 E178 I179F62-W175 AromaticContact CD2-CZ3 3.83Å; F62-W175 HydrophobicContact CD2-CZ3 3.83Å; F62-W175 HydrophobicContact CE2-CH2 4.25Å; F62-W175 AromaticContact CE2-CZ3 3.85Å; F62-W175 HydrophobicContact CE2-CZ3 3.85Å; K65-W175 HydrophobicContact CB-CD2 3.77Å; K65-W175 HydrophobicContact CB-CE3 3.68Å; K65-W175 HydrophobicContact CB-CG 4.26Å; K65-W175 HydrophobicContact CB-CH2 4.4Å; K65-W175 HydrophobicContact CB-CZ2 4.47Å; K65-W175 HydrophobicContact CB-CZ3 4Å; K65-W175 HydrophobicContact CD-CB 3.89Å; K65-W175 HydrophobicContact CD-CD2 4.44Å; K65-W175 HydrophobicContact CD-CG 4.02Å; K65-W175 HydrophobicContact CG-CB 4.17Å; K65-W175 HydrophobicContact CG-CD2 4.12Å; K65-W175 HydrophobicContact CG-CE3 4.08Å; K65-W175 HydrophobicContact CG-CG 4.18Å; V66-W175 HydrophobicContact CG2-CH2 3.93Å; V66-W175 HydrophobicContact CG2-CZ3 4.49Å; L82-W175 HydrophobicContact CD1-CH2 4.28Å; L82-W175 HydrophobicContact CD1-CZ2 4.2Å; L82-W175 HydrophobicContact CD2-CZ2 4.29Å; I137-W175 HydrophobicContact CG2-CH2 3.57Å; I137-W175 HydrophobicContact CG2-CZ2 3.82Å; I137-W175 HydrophobicContact CG2-CZ3 4.41Å; I141-W175 HydrophobicContact CD1-CD2 4.03Å; I141-W175 HydrophobicContact CD1-CG 4.45Å; I141-W175 HydrophobicContact CD1-CH2 4.31Å; I141-W175 HydrophobicContact CD1-CZ2 3.46Å; I141-W175 VanDerWaalsContact CD1-CZ2 3.46Å; I141-W175 VanDerWaalsContact CD1-NE1 3.29Å; I141-W175 HydrophobicContact CG1-CZ2 4.3Å; W175-H177 VanDerWaalsContact C-N 3.31Å; W175-E178 PolarHBondContact O-N 3.33Å; W175-I179 HydrophobicContact CE3-CD1 4.11Å; W175-I179 VanDerWaalsContact O-CG1 3.32Å; W175-I179 WeakPolarHBondContact O-CG1 3.46Å; W175-I179 PolarHBondContact O-N 3.02Å; W175-I179 VanDerWaalsContact O-N 3.14Å
176I97.4Very high80.4Confident0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-61.8-44.9169.3-67.7-72.4000109.8F62 L134 I137 A138 I141 N174 E178 I179 F180 L204F62-I176 HydrophobicContact CD2-CD1 4.29Å; F62-I176 HydrophobicContact CE2-CD1 3.76Å; L134-I176 HydrophobicContact CB-CG2 4.4Å; L134-I176 HydrophobicContact CD2-CD1 4.13Å; I137-I176 HydrophobicContact CB-CD1 4.14Å; I137-I176 HydrophobicContact CB-CG1 4.29Å; I137-I176 HydrophobicContact CG2-CD1 3.65Å; I137-I176 HydrophobicContact CG2-CG1 3.69Å; A138-I176 HydrophobicContact CB-CB 4.19Å; A138-I176 HydrophobicContact CB-CG1 4.32Å; A138-I176 HydrophobicContact CB-CG2 4.22Å; I141-I176 HydrophobicContact CD1-CG1 4.12Å; N174-I176 PolarHBondContact O-N 2.77Å; N174-I176 VanDerWaalsContact O-N 3.15Å; N174-I176 WeakPolarHBondContact OD1-CB 2.86Å; N174-I176 PolarHBondContact OD1-N 3.05Å; I176-E178 VanDerWaalsContact C-N 3.31Å; I176-E178 PolarHBondContact O-N 2.81Å; I176-I179 PolarHBondContact O-N 3.24Å; I176-F180 PolarHBondContact O-N 2.88Å; I176-L204 HydrophobicContact CG2-CD1 4.28Å; I176-L204 HydrophobicContact CG2-CD2 4.47Å
177H97.1Very high82.9Confident21 Ų2153.2 Ų53.210%0.09725%0.249CC..Hα-helixtrans-74.9-20.4179.4-51.991.3000112.9G172 R173 N174 W175 Q181G172-H177 PolarHBondContact O-CE1 2.93Å; R173-H177 HydrophobicContact CG-CB 3.77Å; R173-H177 PolarHBondContact NH1-O 2.9Å; R173-H177 PolarHBondContact NH2-O 3.33Å; N174-H177 PolarHBondContact N-ND1 3.31Å; N174-H177 CarbonylContact O-C 3.56Å; N174-H177 WeakPolarHBondContact O-CA 3.3Å; N174-H177 WeakPolarHBondContact O-CB 3.32Å; N174-H177 PolarHBondContact O-N 3.11Å; N174-H177 PolarHBondContact OD1-ND1 2.81Å; W175-H177 VanDerWaalsContact C-N 3.31Å; H177-Q181 HydrophobicContact CB-CB 3.96Å; H177-Q181 PolarHBondContact CD2-OE1 3.19Å; H177-Q181 WeakPolarHBondContact O-CB 3.17Å; H177-Q181 PolarHBondContact O-N 2.99Å
178E96Very high85.7Confident99 Ų9948.4 Ų48.446%0.46322%0.224SC..Hα-helixtrans-70.6-37.2169.5-66.9167.9-17100111.4K65 N174 W175 I176K65-E178 IonicContact NZ-OE2 3.45Å; N174-E178 PolarHBondContact O-N 2.96Å; W175-E178 PolarHBondContact O-N 3.33Å; I176-E178 VanDerWaalsContact C-N 3.31Å; I176-E178 PolarHBondContact O-N 2.81Å
179I97.6Very high88Confident6 Ų643.8 Ų43.83%0.03121%0.207CC..Hα-helixtrans-84.9-55.1-176.8-62.8167.9000111.3P61 F62 K65 W175 I176 L257 L258P61-I179 HydrophobicContact CB-CD1 4.25Å; P61-I179 HydrophobicContact CB-CG1 4.31Å; P61-I179 WeakPolarHBondContact O-CD1 3.5Å; F62-I179 HydrophobicContact CB-CD1 4.3Å; K65-I179 HydrophobicContact CG-CD1 4.21Å; W175-I179 HydrophobicContact CE3-CD1 4.11Å; W175-I179 VanDerWaalsContact O-CG1 3.32Å; W175-I179 WeakPolarHBondContact O-CG1 3.46Å; W175-I179 PolarHBondContact O-N 3.02Å; W175-I179 VanDerWaalsContact O-N 3.14Å; I176-I179 PolarHBondContact O-N 3.24Å; I179-L257 HydrophobicContact CG2-CD2 4.3Å; I179-L257 WeakPolarHBondContact O-CB 3.48Å; I179-L257 PolarHBondContact O-N 2.77Å; I179-L258 HydrophobicContact CG2-CB 3.9Å; I179-L258 PolarHBondContact O-N 3.16Å
180F98Very high90.4Very high0 Ų036.3 Ų36.30%018%0.175CC..SBendtrans-101.2-16.2-166.9-67.9-88.3000114.5L56 F62 L134 I176 G182 L204 P256 L258L56-F180 HydrophobicContact CD2-CE1 4.16Å; L56-F180 HydrophobicContact CD2-CZ 3.61Å; F62-F180 AromaticContact CD2-CE2 3.7Å; F62-F180 HydrophobicContact CD2-CE2 3.7Å; F62-F180 HydrophobicContact CD2-CZ 4.25Å; F62-F180 HydrophobicContact CE2-CE2 4.3Å; F62-F180 HydrophobicContact CG-CE2 4.4Å; L134-F180 HydrophobicContact CD1-CD1 3.95Å; L134-F180 HydrophobicContact CD1-CD2 4.34Å; L134-F180 HydrophobicContact CD1-CE1 4.19Å; L134-F180 HydrophobicContact CD1-CG 4.03Å; L134-F180 HydrophobicContact CD2-CD2 4.01Å; L134-F180 HydrophobicContact CD2-CE2 3.78Å; L134-F180 HydrophobicContact CD2-CZ 4.06Å; I176-F180 PolarHBondContact O-N 2.88Å; F180-G182 PolarHBondContact O-N 2.98Å; F180-L204 HydrophobicContact CB-CB 4.28Å; F180-L204 HydrophobicContact CB-CD2 4.11Å; F180-P256 VanDerWaalsContact C-CB 3.48Å; F180-P256 WeakPolarHBondContact O-CB 3.31Å; F180-L258 HydrophobicContact CD1-CD2 3.81Å; F180-L258 HydrophobicContact CE1-CB 4.43Å; F180-L258 HydrophobicContact CE1-CD1 4.29Å; F180-L258 HydrophobicContact CE1-CD2 3.42Å; F180-L258 VanDerWaalsContact CE1-CD2 3.42Å; F180-L258 HydrophobicContact CE1-CG 4.24Å; F180-L258 HydrophobicContact CZ-CD1 4.41Å; F180-L258 HydrophobicContact CZ-CD2 4.31Å
181Q97Very high92.5Very high29 Ų2931.7 Ų31.714%0.13616%0.155CC..  trans-78.7116.8-171.8-165-171.9-64.300112.6H177 N202 F203 L204H177-Q181 HydrophobicContact CB-CB 3.96Å; H177-Q181 PolarHBondContact CD2-OE1 3.19Å; H177-Q181 WeakPolarHBondContact O-CB 3.17Å; H177-Q181 PolarHBondContact O-N 2.99Å; Q181-N202 HydrophobicContact CG-CB 3.97Å; Q181-N202 VanDerWaalsContact NE2-CG 3.27Å; Q181-N202 PolarHBondContact NE2-OD1 3.13Å; Q181-N202 VanDerWaalsContact NE2-OD1 3.13Å; Q181-F203 VanDerWaalsContact CA-O 3.26Å; Q181-F203 WeakPolarHBondContact CA-O 3.4Å; Q181-L204 HydrophobicContact CB-CD2 4.02Å; Q181-L204 HydrophobicContact CG-CD2 4.42Å
182G94.8Very high94.2Very high1 Ų132.9 Ų32.91%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-103.3173.6160.900000111.7F180 N202 F203 K254F180-G182 PolarHBondContact O-N 2.98Å; G182-N202 WeakPolarHBondContact O-CA 3.45Å; G182-F203 VanDerWaalsContact C-CE1 3.45Å; G182-F203 PolarHBondContact N-O 3.47Å; G182-F203 PolarHBondContact O-N 2.98Å; G182-K254 CarbonylContact C-O 3.3Å; G182-K254 WeakPolarHBondContact CA-O 3.46Å
183S94.6Very high95.2Very high10 Ų1034.9 Ų34.97%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-130.1144.9169.965.90000111.9E201 K253 K254S183-E201 CarbonylContact C-O 3.57Å; S183-E201 VanDerWaalsContact CA-O 3.31Å; S183-E201 WeakPolarHBondContact CA-O 3.47Å; S183-K253 PolarHBondContact O-N 2.85Å; S183-K254 PolarHBondContact N-O 3.27Å; S183-K254 PolarHBondContact O-N 2.89Å; S183-K254 VanDerWaalsContact OG-CB 3.26Å; S183-K254 WeakPolarHBondContact OG-CB 3.47Å; S183-K254 PolarHBondContact OG-N 3.25Å
184L94.5Very high95.6Very high11 Ų1134.4 Ų34.46%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-112.9141.1178-65.4160.2000109E200 E201 F203 L206 F223 M250 R251 I252L184-E200 WeakPolarHBondContact O-CA 3.48Å; L184-E201 PolarHBondContact N-O 3.47Å; L184-E201 PolarHBondContact O-N 2.92Å; L184-F203 HydrophobicContact CD1-CB 4.49Å; L184-F203 HydrophobicContact CD1-CD1 3.68Å; L184-F203 HydrophobicContact CD1-CE1 4.23Å; L184-F203 HydrophobicContact CD1-CG 4.34Å; L184-F203 HydrophobicContact CD2-CD1 4.35Å; L184-F203 HydrophobicContact CD2-CE1 4.06Å; L184-F203 HydrophobicContact CG-CD1 3.58Å; L184-F203 HydrophobicContact CG-CE1 3.74Å; L184-L206 HydrophobicContact CD1-CD1 4.23Å; L184-L206 HydrophobicContact CD2-CD1 4.3Å; L184-F223 HydrophobicContact CD1-CZ 4.16Å; L184-F223 HydrophobicContact CD2-CE1 3.73Å; L184-F223 HydrophobicContact CD2-CZ 3.96Å; L184-M250 HydrophobicContact CB-CE 4.42Å; L184-M250 HydrophobicContact CD1-CE 3.8Å; L184-R251 CarbonylContact C-O 3.56Å; L184-R251 WeakPolarHBondContact CA-O 3.05Å; L184-I252 HydrophobicContact CD2-CG1 3.91Å
185T94.3Very high95.6Very high11 Ų1136.5 Ų36.57%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-98.3116.1165.3-57.50000107.8E187 T198 M250 R251 K253T185-E187 HydrophobicContact CG2-CG 3.99Å; T185-T198 HydrophobicContact CG2-CG2 3.34Å; T185-M250 CarbonylContact O-C 3.52Å; T185-M250 WeakPolarHBondContact O-CA 3.48Å; T185-R251 PolarHBondContact N-O 2.79Å; T185-R251 PolarHBondContact O-N 3.06Å; T185-K253 WeakPolarHBondContact OG1-CB 3.49Å
186N93.5Very high95.5Very high13 Ų1338.5 Ų38.57%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-102.2107.4175.1-176.9-0.6000108.7T198 K199 R248 M250N186-T198 WeakPolarHBondContact O-CA 3.35Å; N186-K199 PolarHBondContact N-O 3.14Å; N186-K199 PolarHBondContact O-N 3.31Å; N186-R248 PolarHBondContact ND2-NE 2.93Å; N186-R248 PolarHBondContact ND2-NH2 3.21Å; N186-R248 WeakPolarHBondContact OD1-CG 3.43Å; N186-R248 PolarHBondContact OD1-NE 3.41Å; N186-M250 HydrophobicContact CB-CG 4.37Å
187E94.6Very high95.3Very high54 Ų5442.2 Ų42.225%0.25221%0.212SC..EExtended strand (participates in β ladder)trans-100.6128.4-179.7-67.5168.3-153.500109.3T185 V196 R197 T198 R248 R249 R251T185-E187 HydrophobicContact CG2-CG 3.99Å; E187-V196 HydrophobicContact CB-CG1 4.48Å; E187-R197 CarbonylContact C-O 3.48Å; E187-R197 WeakPolarHBondContact CA-O 3.42Å; E187-T198 HydrophobicContact CG-CG2 4.36Å; E187-R248 CarbonylContact O-C 3.52Å; E187-R248 VanDerWaalsContact O-CA 3.25Å; E187-R248 WeakPolarHBondContact O-CA 3.35Å; E187-R249 PolarHBondContact N-O 3.08Å; E187-R249 PolarHBondContact O-N 3.25Å; E187-R251 IonicContact OE1-NH1 2.7Å; E187-R251 PolarHBondContact OE1-NH1 3.06Å; E187-R251 IonicContact OE2-NH1 3.97Å; E187-R251 PolarHBondContact OE2-NH1 3.07Å; E187-R251 VanDerWaalsContact OE2-NH1 3.12Å
188T95Very high95.2Very high16 Ų1645.4 Ų45.410%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-125.2110.9175.2-58.10000109.8V196 R197 Y235 A246 Q247T188-V196 CarbonylContact O-C 3.53Å; T188-V196 WeakPolarHBondContact O-CA 3.42Å; T188-R197 PolarHBondContact N-O 3.13Å; T188-R197 PolarHBondContact O-N 3.32Å; T188-Y235 HydrophobicContact CG2-CD1 4.24Å; T188-Y235 HydrophobicContact CG2-CD2 3.93Å; T188-Y235 HydrophobicContact CG2-CE1 4.36Å; T188-Y235 HydrophobicContact CG2-CE2 4.09Å; T188-Y235 HydrophobicContact CG2-CG 4.02Å; T188-A246 HydrophobicContact CG2-CB 3.9Å; T188-Q247 CarbonylContact C-O 3.55Å; T188-Q247 WeakPolarHBondContact CA-O 3.41Å
189R96.1Very high95.1Very high110 Ų11046.6 Ų46.642%0.41524%0.237SC..EExtended strand (participates in β ladder)trans-97.7119.1176.5-179.9179174.7-177.22.2110.3D194 V196 A246 Q247R189-D194 IonicContact CZ-OD1 3.91Å; R189-D194 VanDerWaalsContact CZ-OD1 3.24Å; R189-D194 IonicContact NE-OD1 2.73Å; R189-D194 PolarHBondContact NE-OD1 3.42Å; R189-D194 IonicContact NH2-OD1 3.58Å; R189-D194 PolarHBondContact NH2-OD1 2.79Å; R189-D194 IonicContact NH2-OD2 3.78Å; R189-V196 HydrophobicContact CB-CG2 4.05Å; R189-V196 HydrophobicContact CG-CG2 4.04Å; R189-A246 CarbonylContact O-C 3.57Å; R189-A246 WeakPolarHBondContact O-CA 3.5Å; R189-A246 WeakPolarHBondContact O-CB 3.27Å; R189-Q247 HydrophobicContact CB-CB 4.45Å; R189-Q247 PolarHBondContact N-O 3.02Å; R189-Q247 PolarHBondContact O-N 2.97Å
190C96.5Very high95Very high0 Ų051.7 Ų51.70%026%0.261CS..EExtended strand (participates in β ladder)trans-67.3129.7170.3-179.30000110.2N192 C193 D194 N195C190-N192 VanDerWaalsContact C-N 3.31Å; C190-N192 PolarHBondContact O-N 2.82Å; C190-N192 PolarHBondContact SG-N 3.26Å; C190-C193 VanDerWaalsContact SG-SG 3.65Å; C190-D194 WeakPolarHBondContact O-CA 3.32Å; C190-D194 PolarHBondContact O-N 3.45Å; C190-N195 PolarHBondContact N-O 2.96Å
191L95.5Very high94.8Very high63 Ų6354.2 Ų54.233%0.3327%0.273SS..THydrogen-bonded Turntrans-80.8-9.3179.1-64.2-175.2000113.9T228 E245 Q247L191-T228 HydrophobicContact CD1-CG2 4.08Å; L191-E245 HydrophobicContact CB-CB 4.37Å; L191-E245 WeakPolarHBondContact CB-O 3.36Å; L191-E245 HydrophobicContact CD1-CB 3.96Å; L191-E245 HydrophobicContact CG-CB 4.48Å; L191-E245 PolarHBondContact N-O 3.48Å; L191-Q247 HydrophobicContact CD1-CG 4.44Å; L191-Q247 HydrophobicContact CD2-CB 4.41Å; L191-Q247 HydrophobicContact CD2-CG 3.93Å; L191-Q247 HydrophobicContact CG-CG 4.49Å
192N95.3Very high94.8Very high102 Ų10258 Ų5855%0.54529%0.294SS..THydrogen-bonded Turntrans-92.9-38.8178.2179.976.6000113.4C190 C240 Q244C190-N192 VanDerWaalsContact C-N 3.31Å; C190-N192 PolarHBondContact O-N 2.82Å; C190-N192 PolarHBondContact SG-N 3.26Å; N192-C240 PolarHBondContact ND2-SG 3.18Å; N192-Q244 HydrophobicContact CB-CG 4.03Å
193C95.6Very high94.8Very high52 Ų5259 Ų5935%0.35130%0.298SS..THydrogen-bonded Turntrans-1214.4-17673.60000114C190 N195 C237 C240C190-C193 VanDerWaalsContact SG-SG 3.65Å; C193-N195 PolarHBondContact O-N 2.97Å; C193-C237 VanDerWaalsContact SG-SG 3.69Å; C193-C240 VanDerWaalsContact SG-SG 3.6Å
194D94.4Very high95Very high90 Ų9059.3 Ų59.348%0.48130%0.299SS..  trans57.54.8-178.7-74.4-47.7000116.9R189 C190 V196R189-D194 IonicContact CZ-OD1 3.91Å; R189-D194 VanDerWaalsContact CZ-OD1 3.24Å; R189-D194 IonicContact NE-OD1 2.73Å; R189-D194 PolarHBondContact NE-OD1 3.42Å; R189-D194 IonicContact NH2-OD1 3.58Å; R189-D194 PolarHBondContact NH2-OD1 2.79Å; R189-D194 IonicContact NH2-OD2 3.78Å; C190-D194 WeakPolarHBondContact O-CA 3.32Å; C190-D194 PolarHBondContact O-N 3.45Å; D194-V196 PolarHBondContact O-N 3.33Å
195N94Very high95.1Very high48 Ų4859.8 Ų59.826%0.25730%0.302SS..  trans-65.5129.9175.9-175.284.4000110.6C190 C193 F239C190-N195 PolarHBondContact N-O 2.96Å; C193-N195 PolarHBondContact O-N 2.97Å; N195-F239 HydrophobicContact CB-CD2 3.93Å; N195-F239 HydrophobicContact CB-CE2 4.21Å; N195-F239 HydrophobicContact CB-CG 4.46Å; N195-F239 VanDerWaalsContact CG-CD2 3.49Å; N195-F239 WeakPolarHBondContact ND2-CE2 3.36Å; N195-F239 WeakPolarHBondContact OD1-CE2 3.25Å
196V94.5Very high95.2Very high72 Ų7259.5 Ų59.544%0.43630%0.299SS..EExtended strand (participates in β ladder)trans-100.7133.3176.1-174.70000109.6E187 T188 R189 D194E187-V196 HydrophobicContact CB-CG1 4.48Å; T188-V196 CarbonylContact O-C 3.53Å; T188-V196 WeakPolarHBondContact O-CA 3.42Å; R189-V196 HydrophobicContact CB-CG2 4.05Å; R189-V196 HydrophobicContact CG-CG2 4.04Å; D194-V196 PolarHBondContact O-N 3.33Å
197R93.3Very high95.4Very high78 Ų7860.1 Ų60.129%0.29431%0.305SS..EExtended strand (participates in β ladder)trans-110.2132.5167.5-65.7-149.6174.7-153.1-16110E187 T188 Y235 E238E187-R197 CarbonylContact C-O 3.48Å; E187-R197 WeakPolarHBondContact CA-O 3.42Å; T188-R197 PolarHBondContact N-O 3.13Å; T188-R197 PolarHBondContact O-N 3.32Å; R197-Y235 WeakPolarHBondContact CD-OH 3.35Å; R197-Y235 PolarHBondContact NE-OH 2.89Å; R197-E238 VanDerWaalsContact CZ-CD 3.4Å; R197-E238 IonicContact CZ-OE1 2.98Å; R197-E238 IonicContact CZ-OE2 3.7Å; R197-E238 VanDerWaalsContact CZ-OE2 3.23Å; R197-E238 IonicContact NH1-OE1 3.1Å; R197-E238 PolarHBondContact NH1-OE1 2.86Å; R197-E238 IonicContact NH1-OE2 3.12Å; R197-E238 PolarHBondContact NH1-OE2 3.3Å; R197-E238 IonicContact NH2-OE1 3.82Å; R197-E238 IonicContact NH2-OE2 2.67Å; R197-E238 PolarHBondContact NH2-OE2 3.39Å
198T94.3Very high95.4Very high88 Ų8857.5 Ų57.554%0.5429%0.293SS..EExtended strand (participates in β ladder)trans-116.9125.8178.3-570000109T185 N186 E187T185-T198 HydrophobicContact CG2-CG2 3.34Å; N186-T198 WeakPolarHBondContact O-CA 3.35Å; E187-T198 HydrophobicContact CG-CG2 4.36Å
199K94.1Very high95.4Very high125 Ų12561.8 Ų61.854%0.54332%0.315SS..EExtended strand (participates in β ladder)trans-123.2134.7175.2-175.9-175.8173.8-156.90109.5N186 E201N186-K199 PolarHBondContact N-O 3.14Å; N186-K199 PolarHBondContact O-N 3.31Å; K199-E201 HydrophobicContact CD-CG 4.18Å; K199-E201 WeakPolarHBondContact CD-OE1 3.41Å; K199-E201 VanDerWaalsContact CE-OE1 3.22Å; K199-E201 WeakPolarHBondContact CE-OE1 3.25Å; K199-E201 HydrophobicContact CG-CG 4.19Å; K199-E201 IonicContact NZ-OE1 3.86Å; K199-E201 PolarHBondContact NZ-OE1 3.45Å
200E94.8Very high95.4Very high113 Ų11357.3 Ų57.353%0.52830%0.3SS..EExtended strand (participates in β ladder)trans-95.4130.7173.9-65.7-174.8-155.900110.5L184 K253L184-E200 WeakPolarHBondContact O-CA 3.48Å; E200-K253 HydrophobicContact CG-CD 4.47Å; E200-K253 IonicContact OE1-NZ 3.75Å; E200-K253 PolarHBondContact OE1-NZ 3.25Å; E200-K253 IonicContact OE2-NZ 2.72Å; E200-K253 PolarHBondContact OE2-NZ 3.39Å
201E94.6Very high95.1Very high52 Ų5258.5 Ų58.524%0.24331%0.312CS..EExtended strand (participates in β ladder)trans-129.8133.7-178.1-63.3-178.5162.200109.5S183 L184 K199S183-E201 CarbonylContact C-O 3.57Å; S183-E201 VanDerWaalsContact CA-O 3.31Å; S183-E201 WeakPolarHBondContact CA-O 3.47Å; L184-E201 PolarHBondContact N-O 3.47Å; L184-E201 PolarHBondContact O-N 2.92Å; K199-E201 HydrophobicContact CD-CG 4.18Å; K199-E201 WeakPolarHBondContact CD-OE1 3.41Å; K199-E201 VanDerWaalsContact CE-OE1 3.22Å; K199-E201 WeakPolarHBondContact CE-OE1 3.25Å; K199-E201 HydrophobicContact CG-CG 4.19Å; K199-E201 IonicContact NZ-OE1 3.86Å; K199-E201 PolarHBondContact NZ-OE1 3.45Å
202N95.8Very high94.9Very high110 Ų11061.5 Ų61.559%0.58832%0.324SS*.EExtended strand (participates in β ladder)trans-91.1151.3175.6-67.2-47.4000110.3Q181 G182Q181-N202 HydrophobicContact CG-CB 3.97Å; Q181-N202 VanDerWaalsContact NE2-CG 3.27Å; Q181-N202 PolarHBondContact NE2-OD1 3.13Å; Q181-N202 VanDerWaalsContact NE2-OD1 3.13Å; G182-N202 WeakPolarHBondContact O-CA 3.45Å
203F96.1Very high94.8Very high20 Ų2060.8 Ų60.89%0.08832%0.321CS..EExtended strand (participates in β ladder)trans-139.5154.3174.868.8-90.7000111Q181 G182 L184 D205 L206 P256 L259Q181-F203 VanDerWaalsContact CA-O 3.26Å; Q181-F203 WeakPolarHBondContact CA-O 3.4Å; G182-F203 VanDerWaalsContact C-CE1 3.45Å; G182-F203 PolarHBondContact N-O 3.47Å; G182-F203 PolarHBondContact O-N 2.98Å; L184-F203 HydrophobicContact CD1-CB 4.49Å; L184-F203 HydrophobicContact CD1-CD1 3.68Å; L184-F203 HydrophobicContact CD1-CE1 4.23Å; L184-F203 HydrophobicContact CD1-CG 4.34Å; L184-F203 HydrophobicContact CD2-CD1 4.35Å; L184-F203 HydrophobicContact CD2-CE1 4.06Å; L184-F203 HydrophobicContact CG-CD1 3.58Å; L184-F203 HydrophobicContact CG-CE1 3.74Å; F203-D205 WeakPolarHBondContact CB-O 3.37Å; F203-D205 WeakPolarHBondContact CD2-O 3.46Å; F203-L206 HydrophobicContact CD2-CB 4.42Å; F203-L206 HydrophobicContact CE2-CB 4.17Å; F203-P256 HydrophobicContact CE2-CG 4.24Å; F203-L259 HydrophobicContact CE2-CD1 4.09Å
204L97.6Very high94.8Very high18 Ų1859.5 Ų59.59%0.09431%0.311CS..SBendtrans-105.6-23.4171.1-60-177000112.4L134 I176 F180 Q181L134-L204 HydrophobicContact CB-CD1 4.08Å; L134-L204 HydrophobicContact CD1-CB 4.39Å; I176-L204 HydrophobicContact CG2-CD1 4.28Å; I176-L204 HydrophobicContact CG2-CD2 4.47Å; F180-L204 HydrophobicContact CB-CB 4.28Å; F180-L204 HydrophobicContact CB-CD2 4.11Å; Q181-L204 HydrophobicContact CB-CD2 4.02Å; Q181-L204 HydrophobicContact CG-CD2 4.42Å
205D97.4Very high94.8Very high21 Ų2158.3 Ų58.311%0.11230%0.304CS..EExtended strand (participates in β ladder)trans-136.1159.2169.682.7-87.7000109.8H127 N131 F203 S207 A260H127-D205 IonicContact CD2-OD2 3.81Å; H127-D205 IonicContact CE1-OD2 2.67Å; H127-D205 VanDerWaalsContact NE2-CG 3.25Å; H127-D205 IonicContact NE2-OD1 3.53Å; H127-D205 PolarHBondContact NE2-OD1 2.86Å; H127-D205 IonicContact NE2-OD2 3.04Å; H127-D205 PolarHBondContact NE2-OD2 2.87Å; N131-D205 PolarHBondContact ND2-OD1 3.45Å; N131-D205 PolarHBondContact OD1-OD1 2.86Å; F203-D205 WeakPolarHBondContact CB-O 3.37Å; F203-D205 WeakPolarHBondContact CD2-O 3.46Å; D205-S207 PolarHBondContact OD2-OG 3Å; D205-S207 VanDerWaalsContact OD2-OG 3.07Å; D205-A260 CarbonylContact C-O 3.5Å; D205-A260 VanDerWaalsContact CA-O 3.31Å; D205-A260 WeakPolarHBondContact CA-O 3.32Å; D205-A260 HydrophobicContact CB-CB 3.99Å; D205-A260 WeakPolarHBondContact CB-O 3.43Å
206L96.2Very high94.9Very high4 Ų456 Ų562%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-115.6119.2174.5-167.969.2000109.1L184 F203 V208 L220 F223 I252 L259 A260 L261 H262L184-L206 HydrophobicContact CD1-CD1 4.23Å; L184-L206 HydrophobicContact CD2-CD1 4.3Å; F203-L206 HydrophobicContact CD2-CB 4.42Å; F203-L206 HydrophobicContact CE2-CB 4.17Å; L206-V208 HydrophobicContact CD2-CG1 4.41Å; L206-V208 HydrophobicContact CG-CG1 4.37Å; L206-L220 HydrophobicContact CD2-CD2 3.6Å; L206-F223 HydrophobicContact CD1-CE1 3.82Å; L206-F223 HydrophobicContact CD1-CE2 3.97Å; L206-F223 HydrophobicContact CD1-CZ 3.51Å; L206-F223 HydrophobicContact CD2-CE1 4.46Å; L206-F223 HydrophobicContact CG-CZ 4.5Å; L206-I252 HydrophobicContact CD2-CD1 4.13Å; L206-L259 HydrophobicContact CB-CD1 4.08Å; L206-A260 PolarHBondContact N-O 3.31Å; L206-L261 HydrophobicContact CB-CD1 4Å; L206-L261 HydrophobicContact CD2-CD1 4.03Å; L206-L261 HydrophobicContact CG-CD1 4.22Å; L206-L261 CarbonylContact O-C 3.35Å; L206-L261 WeakPolarHBondContact O-CA 3.45Å; L206-L261 WeakPolarHBondContact O-CD1 3.4Å; L206-H262 PolarHBondContact O-N 3.24Å
207S96.8Very high94.8Very high26 Ų2653.7 Ų53.718%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-99.8118.2178.1-67.80000110.6H127 D205 H262 K264H127-S207 PolarHBondContact CE1-OG 2.81Å; H127-S207 PolarHBondContact NE2-OG 2.99Å; D205-S207 PolarHBondContact OD2-OG 3Å; D205-S207 VanDerWaalsContact OD2-OG 3.07Å; S207-H262 CarbonylContact C-O 3.51Å; S207-H262 WeakPolarHBondContact CA-O 3.47Å; S207-H262 PolarHBondContact OG-ND1 3.25Å; S207-K264 WeakPolarHBondContact O-CE 3.47Å
208V95.8Very high94.8Very high0 Ų055.3 Ų55.30%029%0.286CS..EExtended strand (participates in β ladder)trans-114144.7-177.9-63.70000112.2L206 C219 L220 F223 L261 H262 L263 K264L206-V208 HydrophobicContact CD2-CG1 4.41Å; L206-V208 HydrophobicContact CG-CG1 4.37Å; V208-C219 HydrophobicContact CB-CB 4.23Å; V208-C219 HydrophobicContact CG2-CB 4.03Å; V208-L220 HydrophobicContact CG1-CD2 4Å; V208-F223 HydrophobicContact CG1-CB 4.15Å; V208-F223 HydrophobicContact CG1-CD2 4.42Å; V208-F223 HydrophobicContact CG1-CG 4.34Å; V208-L261 HydrophobicContact CG1-CD1 3.77Å; V208-L261 HydrophobicContact CG2-CD1 4Å; V208-L261 HydrophobicContact CG2-CD2 4.46Å; V208-L261 HydrophobicContact CG2-CG 4.2Å; V208-H262 PolarHBondContact N-O 3.33Å; V208-L263 HydrophobicContact CG2-CD2 3.72Å; V208-K264 WeakPolarHBondContact O-CB 3.36Å; V208-K264 WeakPolarHBondContact O-CG 3.36Å; V208-K264 PolarHBondContact O-N 3.09Å
209D95.3Very high94.8Very high105 Ų10551.3 Ų51.356%0.56126%0.261SS*.EExtended strand (participates in β ladder)trans-71.1146.5172.3-64.5-71.5000110.7C219 K264D209-C219 WeakPolarHBondContact O-CB 3.4Å; D209-C219 PolarHBondContact O-SG 3.09Å; D209-K264 WeakPolarHBondContact OD1-CD 3.41Å; D209-K264 IonicContact OD1-NZ 2.76Å; D209-K264 IonicContact OD2-NZ 3.41Å
210V94.5Very high94.8Very high17 Ų1745.5 Ų45.510%0.10324%0.236CC..  trans-113.1140.4-178-65.20000111.6L263 R265 L278 Y280 V282V210-L263 HydrophobicContact CG1-CB 3.79Å; V210-L263 HydrophobicContact CG1-CD2 4.35Å; V210-L263 HydrophobicContact CG1-CG 4.46Å; V210-R265 HydrophobicContact CG2-CG 4.24Å; V210-L278 HydrophobicContact CG2-CB 4.11Å; V210-L278 HydrophobicContact CG2-CD1 3.79Å; V210-Y280 HydrophobicContact CG2-CD2 4.37Å; V210-V282 HydrophobicContact CB-CG2 3.89Å; V210-V282 HydrophobicContact CG1-CG2 3.99Å
211G91.4Very high94.6Very high24 Ų2445.2 Ų45.225%0.24723%0.23CC..  trans-113.5174.3173.500000112.9V214 Y280G211-V214 WeakPolarHBondContact O-CG2 3.39Å; G211-Y280 WeakPolarHBondContact O-CB 3.36Å
212E91.7Very high94.5Very high126 Ų12645.2 Ų45.259%0.58924%0.236SC*.THydrogen-bonded Turntrans-76128.1174.5-75.1-177.8-147.300111.9V214 Y280E212-V214 WeakPolarHBondContact O-CG1 3.46Å; E212-V214 PolarHBondContact O-N 3.37Å; E212-Y280 HydrophobicContact CG-CD1 3.37Å; E212-Y280 HydrophobicContact CG-CD2 4.04Å; E212-Y280 HydrophobicContact CG-CE1 3.46Å; E212-Y280 VanDerWaalsContact CG-CE1 3.46Å; E212-Y280 HydrophobicContact CG-CE2 4.13Å; E212-Y280 HydrophobicContact CG-CG 3.67Å; E212-Y280 WeakPolarHBondContact OE1-CE1 3.39Å
213N93.2Very high94.3Very high88 Ų8842 Ų4247%0.47122%0.217SC..THydrogen-bonded Turntrans55.535.8174.3-60.1-55.7000114.2R281 S355N213-R281 VanDerWaalsContact CA-O 3.26Å; N213-R281 WeakPolarHBondContact CA-O 3Å; N213-R281 PolarHBondContact N-O 2.96Å; N213-S355 WeakPolarHBondContact OD1-CB 3.17Å; N213-S355 PolarHBondContact OD1-OG 2.92Å
214V95.1Very high94.1Very high24 Ų2441.1 Ų41.115%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-101.4172.6177.6-56.90000111.9G211 E212 Y218 C219 R281 V282 A283G211-V214 WeakPolarHBondContact O-CG2 3.39Å; E212-V214 WeakPolarHBondContact O-CG1 3.46Å; E212-V214 PolarHBondContact O-N 3.37Å; V214-Y218 HydrophobicContact CB-CD1 3.76Å; V214-Y218 HydrophobicContact CB-CE1 4.45Å; V214-Y218 HydrophobicContact CB-CG 4.27Å; V214-Y218 HydrophobicContact CG1-CD1 3.64Å; V214-Y218 HydrophobicContact CG1-CE1 3.83Å; V214-Y218 HydrophobicContact CG1-CG 4.36Å; V214-Y218 HydrophobicContact CG2-CD1 4.34Å; V214-C219 VanDerWaalsContact CG2-SG 3.59Å; V214-R281 PolarHBondContact N-O 3.18Å; V214-V282 HydrophobicContact CG2-CG1 4.37Å; V214-V282 HydrophobicContact CG2-CG2 4.3Å; V214-V282 CarbonylContact O-C 3.58Å; V214-V282 VanDerWaalsContact O-CA 3.31Å; V214-V282 WeakPolarHBondContact O-CA 3.4Å; V214-A283 PolarHBondContact O-N 2.96Å
215D95Very high93.8Very high65 Ų6544.9 Ų44.935%0.34823%0.233SC..EExtended strand (participates in β ladder)trans-110.416516865.145.6000111.9S217 Y218 C219 A283D215-S217 VanDerWaalsContact C-N 3.25Å; D215-S217 PolarHBondContact O-N 2.97Å; D215-S217 WeakPolarHBondContact OD1-CA 2.97Å; D215-S217 VanDerWaalsContact OD1-CB 3.3Å; D215-S217 WeakPolarHBondContact OD1-CB 3.45Å; D215-S217 PolarHBondContact OD1-N 3.12Å; D215-Y218 WeakPolarHBondContact O-CB 3.32Å; D215-Y218 PolarHBondContact O-N 3.06Å; D215-Y218 VanDerWaalsContact O-N 3.16Å; D215-Y218 WeakPolarHBondContact OD1-CB 3.42Å; D215-Y218 PolarHBondContact OD1-N 2.92Å; D215-C219 PolarHBondContact O-N 3.43Å; D215-C219 VanDerWaalsContact O-N 3.09Å; D215-C219 PolarHBondContact O-SG 3.41Å; D215-C219 VanDerWaalsContact O-SG 3.41Å; D215-A283 CarbonylContact C-O 3.59Å; D215-A283 WeakPolarHBondContact CA-O 3.44Å; D215-A283 HydrophobicContact CB-CB 4.22Å
216I94.8Very high93.6Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-59.6-35.8178.2-69.5-56.5000112.7Y218 C219 L220 L261 L263 V282 A283 F284 L288 L368I216-Y218 VanDerWaalsContact C-N 3.26Å; I216-Y218 PolarHBondContact O-N 3.21Å; I216-C219 PolarHBondContact O-N 2.86Å; I216-L220 HydrophobicContact CG2-CD1 3.86Å; I216-L220 HydrophobicContact CG2-CG 4.29Å; I216-L220 WeakPolarHBondContact O-CG 3.12Å; I216-L220 PolarHBondContact O-N 2.83Å; I216-L261 HydrophobicContact CD1-CD2 4.06Å; I216-L261 HydrophobicContact CG1-CD2 4.43Å; I216-L261 HydrophobicContact CG2-CD2 3.36Å; I216-L263 HydrophobicContact CD1-CD1 4.14Å; I216-L263 HydrophobicContact CD1-CD2 3.37Å; I216-L263 HydrophobicContact CD1-CG 4.39Å; I216-V282 HydrophobicContact CD1-CG1 3.69Å; I216-V282 HydrophobicContact CG1-CG1 4.36Å; I216-A283 PolarHBondContact N-O 3.45Å; I216-F284 HydrophobicContact CD1-CB 4.42Å; I216-F284 HydrophobicContact CG1-CB 3.48Å; I216-F284 VanDerWaalsContact CG1-CB 3.48Å; I216-L288 HydrophobicContact CG2-CD1 4.08Å; I216-L288 HydrophobicContact CG2-CD2 4.29Å; I216-L368 HydrophobicContact CD1-CD1 3.71Å; I216-L368 HydrophobicContact CG1-CD1 3.78Å
217S92.9Very high93.4Very high23 Ų2351.5 Ų51.516%0.16127%0.268CS..Hα-helixtrans-62.9-37.3178.2-55.80000110.9D215 R221D215-S217 VanDerWaalsContact C-N 3.25Å; D215-S217 PolarHBondContact O-N 2.97Å; D215-S217 WeakPolarHBondContact OD1-CA 2.97Å; D215-S217 VanDerWaalsContact OD1-CB 3.3Å; D215-S217 WeakPolarHBondContact OD1-CB 3.45Å; D215-S217 PolarHBondContact OD1-N 3.12Å; S217-R221 WeakPolarHBondContact O-CG 2.96Å; S217-R221 PolarHBondContact O-N 2.82Å; S217-R221 PolarHBondContact O-NH1 3.29Å
218Y93.5Very high93.2Very high112 Ų11252.7 Ų52.744%0.43927%0.274SS..Hα-helixtrans-65.5-47.8172.3-178.4-89.2000111.3V214 D215 I216 L220 R221 C222V214-Y218 HydrophobicContact CB-CD1 3.76Å; V214-Y218 HydrophobicContact CB-CE1 4.45Å; V214-Y218 HydrophobicContact CB-CG 4.27Å; V214-Y218 HydrophobicContact CG1-CD1 3.64Å; V214-Y218 HydrophobicContact CG1-CE1 3.83Å; V214-Y218 HydrophobicContact CG1-CG 4.36Å; V214-Y218 HydrophobicContact CG2-CD1 4.34Å; D215-Y218 WeakPolarHBondContact O-CB 3.32Å; D215-Y218 PolarHBondContact O-N 3.06Å; D215-Y218 VanDerWaalsContact O-N 3.16Å; D215-Y218 WeakPolarHBondContact OD1-CB 3.42Å; D215-Y218 PolarHBondContact OD1-N 2.92Å; I216-Y218 VanDerWaalsContact C-N 3.26Å; I216-Y218 PolarHBondContact O-N 3.21Å; Y218-L220 VanDerWaalsContact C-N 3.28Å; Y218-L220 PolarHBondContact O-N 2.76Å; Y218-R221 WeakPolarHBondContact O-CB 3.43Å; Y218-R221 PolarHBondContact O-N 2.84Å; Y218-R221 VanDerWaalsContact O-N 3.11Å; Y218-C222 WeakPolarHBondContact CE1-SG 3.47Å; Y218-C222 PolarHBondContact O-N 2.82Å; Y218-C222 PolarHBondContact O-SG 3.36Å
219C94.8Very high93Very high4 Ų454.7 Ų54.73%0.02728%0.284CS..Hα-helixtrans-58-40.8176.6-59.30000112.2V208 D209 V214 D215 I216 C222 F223V208-C219 HydrophobicContact CB-CB 4.23Å; V208-C219 HydrophobicContact CG2-CB 4.03Å; D209-C219 WeakPolarHBondContact O-CB 3.4Å; D209-C219 PolarHBondContact O-SG 3.09Å; V214-C219 VanDerWaalsContact CG2-SG 3.59Å; D215-C219 PolarHBondContact O-N 3.43Å; D215-C219 VanDerWaalsContact O-N 3.09Å; D215-C219 PolarHBondContact O-SG 3.41Å; D215-C219 VanDerWaalsContact O-SG 3.41Å; I216-C219 PolarHBondContact O-N 2.86Å; C219-C222 PolarHBondContact O-N 2.9Å; C219-F223 WeakPolarHBondContact O-CB 3.4Å; C219-F223 PolarHBondContact O-N 3.4Å
220L93Very high92.8Very high3 Ų355.9 Ų55.92%0.01628%0.281CS..Hα-helixtrans-67.3-38.4176.1-73.7168.6000112.3L206 V208 I216 Y218 F223 S224 L261 L288 L290 N292L206-L220 HydrophobicContact CD2-CD2 3.6Å; V208-L220 HydrophobicContact CG1-CD2 4Å; I216-L220 HydrophobicContact CG2-CD1 3.86Å; I216-L220 HydrophobicContact CG2-CG 4.29Å; I216-L220 WeakPolarHBondContact O-CG 3.12Å; I216-L220 PolarHBondContact O-N 2.83Å; Y218-L220 VanDerWaalsContact C-N 3.28Å; Y218-L220 PolarHBondContact O-N 2.76Å; L220-F223 WeakPolarHBondContact O-CB 3.41Å; L220-F223 PolarHBondContact O-N 3.48Å; L220-S224 PolarHBondContact O-N 3.06Å; L220-S224 PolarHBondContact O-OG 2.91Å; L220-L261 HydrophobicContact CD2-CD1 3.98Å; L220-L288 HydrophobicContact CD1-CD1 4.21Å; L220-L288 HydrophobicContact CD1-CD2 4.11Å; L220-L290 HydrophobicContact CD1-CD2 4.07Å; L220-N292 PolarHBondContact O-ND2 2.82Å
221R91.3Very high92.6Very high107 Ų10759.1 Ų59.140%0.40430%0.304SS..Hα-helixtrans-58.9-50.7170.8-75.9-171.5-58.1-88.74.2111.2S217 Y218 F223 S224 D225 N292S217-R221 WeakPolarHBondContact O-CG 2.96Å; S217-R221 PolarHBondContact O-N 2.82Å; S217-R221 PolarHBondContact O-NH1 3.29Å; Y218-R221 WeakPolarHBondContact O-CB 3.43Å; Y218-R221 PolarHBondContact O-N 2.84Å; Y218-R221 VanDerWaalsContact O-N 3.11Å; R221-F223 VanDerWaalsContact C-N 3.29Å; R221-F223 PolarHBondContact O-N 3.42Å; R221-S224 CarbonylContact O-C 3.45Å; R221-S224 WeakPolarHBondContact O-CA 3.38Å; R221-S224 PolarHBondContact O-N 3.33Å; R221-D225 PolarHBondContact O-N 3.39Å; R221-N292 WeakPolarHBondContact CA-ND2 3.17Å
222C92.5Very high92.4Very high53 Ų5365.2 Ų65.236%0.35833%0.331SS..Hα-helixtrans-59.3-38.8176.6-66.30000112.7Y218 C219 S224 D225Y218-C222 WeakPolarHBondContact CE1-SG 3.47Å; Y218-C222 PolarHBondContact O-N 2.82Å; Y218-C222 PolarHBondContact O-SG 3.36Å; C219-C222 PolarHBondContact O-N 2.9Å; C222-S224 PolarHBondContact O-N 3.27Å; C222-D225 WeakPolarHBondContact CA-OD2 3.35Å; C222-D225 WeakPolarHBondContact O-CB 3.44Å; C222-D225 PolarHBondContact O-N 2.88Å; C222-D225 VanDerWaalsContact O-N 3.14Å
223F92.2Very high92.3Very high42 Ų4265.3 Ų65.318%0.18434%0.335CS..Hα-helixtrans-59.5-30.6173.5173.6-92.8000112.7L184 L206 V208 C219 L220 R221 M250L184-F223 HydrophobicContact CD1-CZ 4.16Å; L184-F223 HydrophobicContact CD2-CE1 3.73Å; L184-F223 HydrophobicContact CD2-CZ 3.96Å; L206-F223 HydrophobicContact CD1-CE1 3.82Å; L206-F223 HydrophobicContact CD1-CE2 3.97Å; L206-F223 HydrophobicContact CD1-CZ 3.51Å; L206-F223 HydrophobicContact CD2-CE1 4.46Å; L206-F223 HydrophobicContact CG-CZ 4.5Å; V208-F223 HydrophobicContact CG1-CB 4.15Å; V208-F223 HydrophobicContact CG1-CD2 4.42Å; V208-F223 HydrophobicContact CG1-CG 4.34Å; C219-F223 WeakPolarHBondContact O-CB 3.4Å; C219-F223 PolarHBondContact O-N 3.4Å; L220-F223 WeakPolarHBondContact O-CB 3.41Å; L220-F223 PolarHBondContact O-N 3.48Å; R221-F223 VanDerWaalsContact C-N 3.29Å; R221-F223 PolarHBondContact O-N 3.42Å; F223-M250 HydrophobicContact CE1-CB 4.2Å; F223-M250 HydrophobicContact CZ-CB 4.21Å; F223-M250 HydrophobicContact CZ-CE 4.05Å; F223-M250 HydrophobicContact CZ-SD 4.39Å
224S91.2Very high92.2Very high2 Ų265.2 Ų65.21%0.01433%0.331CS..THydrogen-bonded Turntrans-100.48.4176.8-55.30000115.3L220 R221 C222 R249 M250 N292L220-S224 PolarHBondContact O-N 3.06Å; L220-S224 PolarHBondContact O-OG 2.91Å; R221-S224 CarbonylContact O-C 3.45Å; R221-S224 WeakPolarHBondContact O-CA 3.38Å; R221-S224 PolarHBondContact O-N 3.33Å; C222-S224 PolarHBondContact O-N 3.27Å; S224-R249 VanDerWaalsContact O-CG 3.28Å; S224-R249 WeakPolarHBondContact O-CG 3.46Å; S224-R249 PolarHBondContact O-NE 3.1Å; S224-M250 WeakPolarHBondContact CA-O 3.1Å; S224-M250 WeakPolarHBondContact CB-O 3.4Å; S224-M250 PolarHBondContact OG-O 2.83Å; S224-M250 VanDerWaalsContact OG-O 3.13Å; S224-N292 WeakPolarHBondContact CB-ND2 3.48Å; S224-N292 PolarHBondContact OG-ND2 2.89Å
225D91.4Very high92Very high96 Ų9666.2 Ų66.251%0.51333%0.332SS..SBendtrans-72.6159.3173.9-77.8-20.5000110.5R221 C222 E227R221-D225 PolarHBondContact O-N 3.39Å; C222-D225 WeakPolarHBondContact CA-OD2 3.35Å; C222-D225 WeakPolarHBondContact O-CB 3.44Å; C222-D225 PolarHBondContact O-N 2.88Å; C222-D225 VanDerWaalsContact O-N 3.14Å; D225-E227 PolarHBondContact O-N 2.81Å
226T92.4Very high92Very high66 Ų6669.1 Ų69.141%0.40534%0.339SS..  trans-81.8114.1177.1-57.80000109.6Q247 R248T226-Q247 HydrophobicContact CG2-CB 3.57Å; T226-Q247 HydrophobicContact CG2-CG 3.69Å; T226-R248 CarbonylContact C-O 3.52Å; T226-R248 WeakPolarHBondContact CA-O 3.31Å
227E92.8Very high91.9Very high99 Ų9969.1 Ų69.146%0.46334%0.339SS..EExtended strand (participates in β ladder)trans-87.5147.5169.166.1178.6172.100110.6D225 Q247 R248D225-E227 PolarHBondContact O-N 2.81Å; E227-Q247 CarbonylContact O-C 3.6Å; E227-Q247 WeakPolarHBondContact O-CA 3.48Å; E227-R248 HydrophobicContact CG-CB 3.83Å; E227-R248 HydrophobicContact CG-CG 4.35Å; E227-R248 WeakPolarHBondContact CG-O 3.32Å; E227-R248 PolarHBondContact N-O 2.65Å; E227-R248 PolarHBondContact O-N 3.13Å; E227-R248 VanDerWaalsContact OE1-CD 3.32Å; E227-R248 WeakPolarHBondContact OE1-CD 3.32Å; E227-R248 IonicContact OE1-CZ 3.99Å; E227-R248 IonicContact OE1-NE 3.51Å; E227-R248 IonicContact OE1-NH1 2.76Å; E227-R248 PolarHBondContact OE1-NH1 3.48Å
228T93Very high91.9Very high51 Ų5173.3 Ų73.331%0.31336%0.356SS..EExtended strand (participates in β ladder)trans-110.8119.9175.3-53.20000110.4L191 R230 A246 Q247L191-T228 HydrophobicContact CD1-CG2 4.08Å; T228-R230 HydrophobicContact CG2-CG 3.77Å; T228-R230 PolarHBondContact O-N 2.96Å; T228-A246 CarbonylContact C-O 3.48Å; T228-A246 WeakPolarHBondContact CA-O 3.27Å; T228-Q247 HydrophobicContact CG2-CG 4.49Å
229M90.9Very high91.9Very high42 Ų4274.1 Ų74.121%0.20736%0.362CS..EExtended strand (participates in β ladder)trans-79.5104.5175.3-71.7169.259.600110.2N233 Y235 E245 A246 R248M229-N233 WeakPolarHBondContact CB-O 3.22Å; M229-N233 WeakPolarHBondContact CE-O 3.47Å; M229-Y235 VanDerWaalsContact CE-CB 3.47Å; M229-Y235 HydrophobicContact CE-CD2 4.45Å; M229-Y235 HydrophobicContact CE-CG 4.44Å; M229-E245 WeakPolarHBondContact O-CA 3.33Å; M229-A246 PolarHBondContact N-O 3.48Å; M229-A246 PolarHBondContact O-N 3.07Å; M229-R248 HydrophobicContact SD-CB 4.31Å
230R91.2Very high91.9Very high130 Ų13075.4 Ų75.449%0.49137%0.371SS..  trans-116.7165.6-177.4-59.7-174.9176.5-79.3-1.8111.9T228 D232 N233 E245T228-R230 HydrophobicContact CG2-CG 3.77Å; T228-R230 PolarHBondContact O-N 2.96Å; R230-D232 PolarHBondContact O-N 2.93Å; R230-N233 PolarHBondContact O-N 3.14Å; R230-N233 VanDerWaalsContact O-N 3.07Å; R230-E245 IonicContact CZ-OE2 3.01Å; R230-E245 IonicContact NH1-OE1 2.96Å; R230-E245 PolarHBondContact NH1-OE1 3.27Å; R230-E245 VanDerWaalsContact NH1-OE1 3.1Å; R230-E245 IonicContact NH1-OE2 3.77Å; R230-E245 PolarHBondContact NH1-OE2 3.41Å
231S89.5Confident91.9Very high84 Ų8485 Ų8559%0.58741%0.407SS*.G310 helixtrans51.8-118.7170.3-52.70000113.4N233 K234S231-N233 PolarHBondContact O-N 3.31Å; S231-K234 WeakPolarHBondContact O-CD 3.42Å; S231-K234 WeakPolarHBondContact O-CG 3.47Å; S231-K234 PolarHBondContact O-N 2.91Å
232D87.8Confident92Very high152 Ų15282.2 Ų82.281%0.81340%0.404SS*.G310 helixtrans-70.5-21.5-175.2-60-32.9000113R230R230-D232 PolarHBondContact O-N 2.93Å
233N90.1Very high92.1Very high128 Ų12886.1 Ų86.168%0.68442%0.415SS*.G310 helixtrans-9417.7-179.5-67.8-30.1000113.3M229 R230 S231M229-N233 WeakPolarHBondContact CB-O 3.22Å; M229-N233 WeakPolarHBondContact CE-O 3.47Å; R230-N233 PolarHBondContact O-N 3.14Å; R230-N233 VanDerWaalsContact O-N 3.07Å; S231-N233 PolarHBondContact O-N 3.31Å
234K91.5Very high92.3Very high87 Ų8786.1 Ų86.138%0.37842%0.415SS..  trans-56.8143.2179.2-81.3171.6-174.9-176.80113.1S231 K243 Q244 E245S231-K234 WeakPolarHBondContact O-CD 3.42Å; S231-K234 WeakPolarHBondContact O-CG 3.47Å; S231-K234 PolarHBondContact O-N 2.91Å; K234-K243 HydrophobicContact CB-CB 3.91Å; K234-Q244 CarbonylContact C-O 3.54Å; K234-Q244 WeakPolarHBondContact CB-O 3.2Å; K234-E245 HydrophobicContact CG-CG 4.46Å
235Y90.5Very high92.5Very high44 Ų4488.9 Ų88.917%0.17343%0.428CS..EExtended strand (participates in β ladder)trans-79.8133.8179169.8-110.3000111.1T188 R197 M229 C237 K243 Q244 A246T188-Y235 HydrophobicContact CG2-CD1 4.24Å; T188-Y235 HydrophobicContact CG2-CD2 3.93Å; T188-Y235 HydrophobicContact CG2-CE1 4.36Å; T188-Y235 HydrophobicContact CG2-CE2 4.09Å; T188-Y235 HydrophobicContact CG2-CG 4.02Å; R197-Y235 WeakPolarHBondContact CD-OH 3.35Å; R197-Y235 PolarHBondContact NE-OH 2.89Å; M229-Y235 VanDerWaalsContact CE-CB 3.47Å; M229-Y235 HydrophobicContact CE-CD2 4.45Å; M229-Y235 HydrophobicContact CE-CG 4.44Å; Y235-C237 HydrophobicContact CD1-CB 4.08Å; Y235-C237 HydrophobicContact CE1-CB 3.86Å; Y235-C237 PolarHBondContact O-N 3.13Å; Y235-K243 CarbonylContact O-C 3.54Å; Y235-K243 WeakPolarHBondContact O-CA 3.26Å; Y235-Q244 PolarHBondContact N-O 3.49Å; Y235-Q244 PolarHBondContact O-N 3.4Å; Y235-A246 HydrophobicContact CD1-CB 4.05Å; Y235-A246 HydrophobicContact CG-CB 4.02Å
236Y93.8Very high92.7Very high127 Ų12784.3 Ų84.350%0.49840%0.403SS..EExtended strand (participates in β ladder)trans-78.5109.2170.7-175-93.3000110.3E238Y236-E238 HydrophobicContact CD1-CG 4.45Å; Y236-E238 HydrophobicContact CE1-CG 4.33Å
237C94Very high92.9Very high0 Ų084.4 Ų84.40%040%0.399CS..EExtended strand (participates in β ladder)trans-88.4117.9177.2-178.40000110.2C193 Y235 F239 C240 R241 C242 Q244C193-C237 VanDerWaalsContact SG-SG 3.69Å; Y235-C237 HydrophobicContact CD1-CB 4.08Å; Y235-C237 HydrophobicContact CE1-CB 3.86Å; Y235-C237 PolarHBondContact O-N 3.13Å; C237-F239 VanDerWaalsContact C-N 3.26Å; C237-F239 PolarHBondContact O-N 3.47Å; C237-C240 HydrophobicContact CB-CB 4Å; C237-C240 PolarHBondContact O-N 2.92Å; C237-C240 VanDerWaalsContact SG-SG 3.66Å; C237-R241 VanDerWaalsContact O-CA 3.32Å; C237-R241 WeakPolarHBondContact O-CA 3.09Å; C237-R241 PolarHBondContact O-N 3.1Å; C237-C242 PolarHBondContact N-O 2.68Å; C237-C242 VanDerWaalsContact N-O 3.07Å; C237-C242 PolarHBondContact O-N 2.85Å; C237-Q244 HydrophobicContact CB-CB 4.46Å; C237-Q244 HydrophobicContact CB-CG 4.22Å
238E93.1Very high93Very high110 Ų11083 Ų8351%0.51439%0.389SS..THydrogen-bonded Turntrans-65.4-26.9177.7-66174.6-155.700113.5R197 Y236 R241R197-E238 VanDerWaalsContact CZ-CD 3.4Å; R197-E238 IonicContact CZ-OE1 2.98Å; R197-E238 IonicContact CZ-OE2 3.7Å; R197-E238 VanDerWaalsContact CZ-OE2 3.23Å; R197-E238 IonicContact NH1-OE1 3.1Å; R197-E238 PolarHBondContact NH1-OE1 2.86Å; R197-E238 IonicContact NH1-OE2 3.12Å; R197-E238 PolarHBondContact NH1-OE2 3.3Å; R197-E238 IonicContact NH2-OE1 3.82Å; R197-E238 IonicContact NH2-OE2 2.67Å; R197-E238 PolarHBondContact NH2-OE2 3.39Å; Y236-E238 HydrophobicContact CD1-CG 4.45Å; Y236-E238 HydrophobicContact CE1-CG 4.33Å; E238-R241 VanDerWaalsContact O-CG 3.31Å; E238-R241 WeakPolarHBondContact O-CG 3.3Å
239F93Very high93Very high130 Ų13084.4 Ų84.457%0.5739%0.389SS*.THydrogen-bonded Turntrans-74.7-39.3175.9-65-88.2000111.9N195 C237N195-F239 HydrophobicContact CB-CD2 3.93Å; N195-F239 HydrophobicContact CB-CE2 4.21Å; N195-F239 HydrophobicContact CB-CG 4.46Å; N195-F239 VanDerWaalsContact CG-CD2 3.49Å; N195-F239 WeakPolarHBondContact ND2-CE2 3.36Å; N195-F239 WeakPolarHBondContact OD1-CE2 3.25Å; C237-F239 VanDerWaalsContact C-N 3.26Å; C237-F239 PolarHBondContact O-N 3.47Å
240C94.1Very high93.1Very high31 Ų3183.8 Ų83.821%0.20939%0.386CS..THydrogen-bonded Turntrans-82.9-16.3174.8-540000112.9N192 C193 C237 C242 Q244N192-C240 PolarHBondContact ND2-SG 3.18Å; C193-C240 VanDerWaalsContact SG-SG 3.6Å; C237-C240 HydrophobicContact CB-CB 4Å; C237-C240 PolarHBondContact O-N 2.92Å; C237-C240 VanDerWaalsContact SG-SG 3.66Å; C240-C242 PolarHBondContact O-N 2.85Å; C240-C242 PolarHBondContact O-SG 3.33Å; C240-Q244 HydrophobicContact CB-CG 4.07Å
241R92.9Very high93.1Very high204 Ų20480.2 Ų80.277%0.7737%0.372SS*.THydrogen-bonded Turntrans5331.8-172.5-58.5-174.1177.6-171.70114.1C237 E238C237-R241 VanDerWaalsContact O-CA 3.32Å; C237-R241 WeakPolarHBondContact O-CA 3.09Å; C237-R241 PolarHBondContact O-N 3.1Å; E238-R241 VanDerWaalsContact O-CG 3.31Å; E238-R241 WeakPolarHBondContact O-CG 3.3Å
242C94.5Very high93.2Very high49 Ų4976.3 Ų76.333%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-155.7167.7178.762.80000111.8C237 C240 Q244C237-C242 PolarHBondContact N-O 2.68Å; C237-C242 VanDerWaalsContact N-O 3.07Å; C237-C242 PolarHBondContact O-N 2.85Å; C240-C242 PolarHBondContact O-N 2.85Å; C240-C242 PolarHBondContact O-SG 3.33Å; C242-Q244 PolarHBondContact O-N 2.73Å; C242-Q244 PolarHBondContact SG-NE2 3.07Å
243K95.2Very high93.3Very high135 Ų13572 Ų7259%0.58732%0.319SS*.EExtended strand (participates in β ladder)trans-72.2123.6177.3-73.9-170.6179.6-1740110.8K234 Y235K234-K243 HydrophobicContact CB-CB 3.91Å; Y235-K243 CarbonylContact O-C 3.54Å; Y235-K243 WeakPolarHBondContact O-CA 3.26Å
244Q95.2Very high93.4Very high42 Ų4270.5 Ų70.520%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-126.1155.5-176.5-67.4-62.7-15.700111.4N192 K234 Y235 C237 C240 C242N192-Q244 HydrophobicContact CB-CG 4.03Å; K234-Q244 CarbonylContact C-O 3.54Å; K234-Q244 WeakPolarHBondContact CB-O 3.2Å; Y235-Q244 PolarHBondContact N-O 3.49Å; Y235-Q244 PolarHBondContact O-N 3.4Å; C237-Q244 HydrophobicContact CB-CB 4.46Å; C237-Q244 HydrophobicContact CB-CG 4.22Å; C240-Q244 HydrophobicContact CB-CG 4.07Å; C242-Q244 PolarHBondContact O-N 2.73Å; C242-Q244 PolarHBondContact SG-NE2 3.07Å
245E96Very high93.4Very high60 Ų6066.5 Ų66.528%0.2829%0.289SS..  trans-66.7140.5163.9-59.8-164.1148.400109.3L191 M229 R230 K234L191-E245 HydrophobicContact CB-CB 4.37Å; L191-E245 WeakPolarHBondContact CB-O 3.36Å; L191-E245 HydrophobicContact CD1-CB 3.96Å; L191-E245 HydrophobicContact CG-CB 4.48Å; L191-E245 PolarHBondContact N-O 3.48Å; M229-E245 WeakPolarHBondContact O-CA 3.33Å; R230-E245 IonicContact CZ-OE2 3.01Å; R230-E245 IonicContact NH1-OE1 2.96Å; R230-E245 PolarHBondContact NH1-OE1 3.27Å; R230-E245 VanDerWaalsContact NH1-OE1 3.1Å; R230-E245 IonicContact NH1-OE2 3.77Å; R230-E245 PolarHBondContact NH1-OE2 3.41Å; K234-E245 HydrophobicContact CG-CG 4.46Å
246A96Very high93.6Very high0 Ų064.5 Ų64.50%028%0.282CS..EExtended strand (participates in β ladder)trans-142.5149.9-179.500000110.9T188 R189 T228 M229 Y235T188-A246 HydrophobicContact CG2-CB 3.9Å; R189-A246 CarbonylContact O-C 3.57Å; R189-A246 WeakPolarHBondContact O-CA 3.5Å; R189-A246 WeakPolarHBondContact O-CB 3.27Å; T228-A246 CarbonylContact C-O 3.48Å; T228-A246 WeakPolarHBondContact CA-O 3.27Å; M229-A246 PolarHBondContact N-O 3.48Å; M229-A246 PolarHBondContact O-N 3.07Å; Y235-A246 HydrophobicContact CD1-CB 4.05Å; Y235-A246 HydrophobicContact CG-CB 4.02Å
247Q96.4Very high93.7Very high68 Ų6860.8 Ų60.832%0.31827%0.27SS..EExtended strand (participates in β ladder)trans-97.6124.9169.6-84.7178.8-8.800109.3T188 R189 L191 T226 E227 T228T188-Q247 CarbonylContact C-O 3.55Å; T188-Q247 WeakPolarHBondContact CA-O 3.41Å; R189-Q247 HydrophobicContact CB-CB 4.45Å; R189-Q247 PolarHBondContact N-O 3.02Å; R189-Q247 PolarHBondContact O-N 2.97Å; L191-Q247 HydrophobicContact CD1-CG 4.44Å; L191-Q247 HydrophobicContact CD2-CB 4.41Å; L191-Q247 HydrophobicContact CD2-CG 3.93Å; L191-Q247 HydrophobicContact CG-CG 4.49Å; T226-Q247 HydrophobicContact CG2-CB 3.57Å; T226-Q247 HydrophobicContact CG2-CG 3.69Å; E227-Q247 CarbonylContact O-C 3.6Å; E227-Q247 WeakPolarHBondContact O-CA 3.48Å; T228-Q247 HydrophobicContact CG2-CG 4.49Å
248R94.3Very high93.8Very high68 Ų6860.8 Ų60.826%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-114.4139.6178177.5172.9171.5-132.78.2110.2N186 E187 T226 E227 M229 M250N186-R248 PolarHBondContact ND2-NE 2.93Å; N186-R248 PolarHBondContact ND2-NH2 3.21Å; N186-R248 WeakPolarHBondContact OD1-CG 3.43Å; N186-R248 PolarHBondContact OD1-NE 3.41Å; E187-R248 CarbonylContact O-C 3.52Å; E187-R248 VanDerWaalsContact O-CA 3.25Å; E187-R248 WeakPolarHBondContact O-CA 3.35Å; T226-R248 CarbonylContact C-O 3.52Å; T226-R248 WeakPolarHBondContact CA-O 3.31Å; E227-R248 HydrophobicContact CG-CB 3.83Å; E227-R248 HydrophobicContact CG-CG 4.35Å; E227-R248 WeakPolarHBondContact CG-O 3.32Å; E227-R248 PolarHBondContact N-O 2.65Å; E227-R248 PolarHBondContact O-N 3.13Å; E227-R248 VanDerWaalsContact OE1-CD 3.32Å; E227-R248 WeakPolarHBondContact OE1-CD 3.32Å; E227-R248 IonicContact OE1-CZ 3.99Å; E227-R248 IonicContact OE1-NE 3.51Å; E227-R248 IonicContact OE1-NH1 2.76Å; E227-R248 PolarHBondContact OE1-NH1 3.48Å; M229-R248 HydrophobicContact SD-CB 4.31Å; R248-M250 PolarHBondContact NH2-SD 3.17Å
249R93.7Very high94Very high81 Ų8155.5 Ų55.531%0.30625%0.246SC..EExtended strand (participates in β ladder)trans-144.3139.4178.7-174.4179.5178.4169.3-3.1110.6E187 S224E187-R249 PolarHBondContact N-O 3.08Å; E187-R249 PolarHBondContact O-N 3.25Å; S224-R249 VanDerWaalsContact O-CG 3.28Å; S224-R249 WeakPolarHBondContact O-CG 3.46Å; S224-R249 PolarHBondContact O-NE 3.1Å
250M92.8Very high94.2Very high29 Ų2949.3 Ų49.314%0.14322%0.219CC..EExtended strand (participates in β ladder)trans-114.7134.3176.4-62.6-179.169.500110.9L184 T185 N186 F223 S224 R248L184-M250 HydrophobicContact CB-CE 4.42Å; L184-M250 HydrophobicContact CD1-CE 3.8Å; T185-M250 CarbonylContact O-C 3.52Å; T185-M250 WeakPolarHBondContact O-CA 3.48Å; N186-M250 HydrophobicContact CB-CG 4.37Å; F223-M250 HydrophobicContact CE1-CB 4.2Å; F223-M250 HydrophobicContact CZ-CB 4.21Å; F223-M250 HydrophobicContact CZ-CE 4.05Å; F223-M250 HydrophobicContact CZ-SD 4.39Å; S224-M250 WeakPolarHBondContact CA-O 3.1Å; S224-M250 WeakPolarHBondContact CB-O 3.4Å; S224-M250 PolarHBondContact OG-O 2.83Å; S224-M250 VanDerWaalsContact OG-O 3.13Å; R248-M250 PolarHBondContact NH2-SD 3.17Å
251R91Very high94.4Very high55 Ų5547.9 Ų47.921%0.20821%0.209CC..EExtended strand (participates in β ladder)trans-132.2151.3176.3-68.9-177.6177127-15.4110.9L184 T185 E187 K253L184-R251 CarbonylContact C-O 3.56Å; L184-R251 WeakPolarHBondContact CA-O 3.05Å; T185-R251 PolarHBondContact N-O 2.79Å; T185-R251 PolarHBondContact O-N 3.06Å; E187-R251 IonicContact OE1-NH1 2.7Å; E187-R251 PolarHBondContact OE1-NH1 3.06Å; E187-R251 IonicContact OE2-NH1 3.97Å; E187-R251 PolarHBondContact OE2-NH1 3.07Å; E187-R251 VanDerWaalsContact OE2-NH1 3.12Å; R251-K253 PolarHBondContact O-N 3.3Å
252I91.1Very high94.7Very high2 Ų238.9 Ų38.91%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-78.3114.3175.1-61.2173.1000108.1L184 L206 P255 N292 M293 S294L184-I252 HydrophobicContact CD2-CG1 3.91Å; L206-I252 HydrophobicContact CD2-CD1 4.13Å; I252-P255 HydrophobicContact CG2-CB 3.99Å; I252-N292 PolarHBondContact N-O 3.49Å; I252-M293 CarbonylContact O-C 3.56Å; I252-M293 VanDerWaalsContact O-CA 3.24Å; I252-M293 WeakPolarHBondContact O-CA 3.36Å; I252-S294 PolarHBondContact O-N 3.28Å
253K90.4Very high94.8Very high62 Ų6236.6 Ų36.627%0.2716%0.16SC..EExtended strand (participates in β ladder)trans-82.9-49.7175.1-175.2178.1180-173.70111.2S183 T185 E200 R251 S294S183-K253 PolarHBondContact O-N 2.85Å; T185-K253 WeakPolarHBondContact OG1-CB 3.49Å; E200-K253 HydrophobicContact CG-CD 4.47Å; E200-K253 IonicContact OE1-NZ 3.75Å; E200-K253 PolarHBondContact OE1-NZ 3.25Å; E200-K253 IonicContact OE2-NZ 2.72Å; E200-K253 PolarHBondContact OE2-NZ 3.39Å; R251-K253 PolarHBondContact O-N 3.3Å; K253-S294 WeakPolarHBondContact CA-OG 3.45Å
254K91.1Very high94.9Very high96 Ų9633.8 Ų33.842%0.41715%0.148SC..EExtended strand (participates in β ladder)trans-128.4116.2176.6-177.2-176.9174.2179.50109.2G182 S183G182-K254 CarbonylContact C-O 3.3Å; G182-K254 WeakPolarHBondContact CA-O 3.46Å; S183-K254 PolarHBondContact N-O 3.27Å; S183-K254 PolarHBondContact O-N 2.89Å; S183-K254 VanDerWaalsContact OG-CB 3.26Å; S183-K254 WeakPolarHBondContact OG-CB 3.47Å; S183-K254 PolarHBondContact OG-N 3.25Å
255P91.8Very high94.8Very high3 Ų331.8 Ų31.82%0.01914%0.138CC..  trans-79.1146.6173.432.2-34.4000111.2I252 L290 M293 R302 Y304I252-P255 HydrophobicContact CG2-CB 3.99Å; P255-L290 HydrophobicContact CB-CD1 3.6Å; P255-L290 HydrophobicContact CG-CD1 4.39Å; P255-M293 HydrophobicContact CG-CE 4.26Å; P255-R302 HydrophobicContact CG-CG 4.28Å; P255-R302 PolarHBondContact O-NH1 2.81Å; P255-Y304 WeakPolarHBondContact CB-OH 3.5Å
256P94.9Very high94.7Very high3 Ų330.7 Ų30.72%0.01913%0.133CC..  trans-72.9166.7-178.831.9-37000112.2F180 F203 L258 L259 Y304F180-P256 VanDerWaalsContact C-CB 3.48Å; F180-P256 WeakPolarHBondContact O-CB 3.31Å; F203-P256 HydrophobicContact CE2-CG 4.24Å; P256-L258 VanDerWaalsContact C-N 3.34Å; P256-L258 WeakPolarHBondContact CB-O 3.42Å; P256-L258 VanDerWaalsContact CG-O 3.27Å; P256-L258 WeakPolarHBondContact CG-O 3.36Å; P256-L259 HydrophobicContact CG-CB 4Å; P256-L259 HydrophobicContact CG-CD1 4.09Å; P256-Y304 WeakPolarHBondContact O-CE1 3.4Å; P256-Y304 PolarHBondContact O-OH 2.72Å
257L95.3Very high94.5Very high48 Ų4837 Ų3725%0.25116%0.16SC..SBendtrans-65.8-41.9172177.1155.6000110.7P61 I179 L371 D372 V375P61-L257 HydrophobicContact CB-CD2 4.11Å; P61-L257 HydrophobicContact CG-CD2 3.92Å; I179-L257 HydrophobicContact CG2-CD2 4.3Å; I179-L257 WeakPolarHBondContact O-CB 3.48Å; I179-L257 PolarHBondContact O-N 2.77Å; L257-L371 HydrophobicContact CD2-CD1 3.45Å; L257-L371 VanDerWaalsContact CD2-CD1 3.45Å; L257-L371 HydrophobicContact CG-CD1 4.46Å; L257-D372 WeakPolarHBondContact O-CB 3.37Å; L257-D372 PolarHBondContact O-N 2.81Å; L257-V375 HydrophobicContact CD1-CG2 3.96Å; L257-V375 HydrophobicContact CD2-CG1 4.46Å; L257-V375 HydrophobicContact CG-CG2 4.07Å
258L97.2Very high94.2Very high0 Ų038.5 Ų38.50%016%0.164CC..EExtended strand (participates in β ladder)trans-117.8121.8171-170.8156.6000109.3C59 I179 F180 P256 A260 M307 F369 Y370 L371C59-L258 HydrophobicContact CB-CD1 3.77Å; C59-L258 WeakPolarHBondContact SG-CD1 3.48Å; I179-L258 HydrophobicContact CG2-CB 3.9Å; I179-L258 PolarHBondContact O-N 3.16Å; F180-L258 HydrophobicContact CD1-CD2 3.81Å; F180-L258 HydrophobicContact CE1-CB 4.43Å; F180-L258 HydrophobicContact CE1-CD1 4.29Å; F180-L258 HydrophobicContact CE1-CD2 3.42Å; F180-L258 VanDerWaalsContact CE1-CD2 3.42Å; F180-L258 HydrophobicContact CE1-CG 4.24Å; F180-L258 HydrophobicContact CZ-CD1 4.41Å; F180-L258 HydrophobicContact CZ-CD2 4.31Å; P256-L258 VanDerWaalsContact C-N 3.34Å; P256-L258 WeakPolarHBondContact CB-O 3.42Å; P256-L258 VanDerWaalsContact CG-O 3.27Å; P256-L258 WeakPolarHBondContact CG-O 3.36Å; L258-A260 HydrophobicContact CD2-CB 4.43Å; L258-M307 HydrophobicContact CD1-SD 3.73Å; L258-F369 HydrophobicContact CD2-CB 4.48Å; L258-F369 HydrophobicContact CD2-CD1 3.75Å; L258-Y370 CarbonylContact C-O 3.48Å; L258-Y370 WeakPolarHBondContact CA-O 3.31Å; L258-L371 HydrophobicContact CB-CD1 4.43Å
259L96.9Very high94Very high0 Ų036.2 Ų36.20%016%0.158CC..EExtended strand (participates in β ladder)trans-94.7109.9174.8176.564.9000109.4F203 L206 P256 L288 L290 Y304 Y370F203-L259 HydrophobicContact CE2-CD1 4.09Å; L206-L259 HydrophobicContact CB-CD1 4.08Å; P256-L259 HydrophobicContact CG-CB 4Å; P256-L259 HydrophobicContact CG-CD1 4.09Å; L259-L288 HydrophobicContact CD2-CD2 4.31Å; L259-L290 HydrophobicContact CD2-CD2 4.09Å; L259-Y304 HydrophobicContact CB-CD1 4.35Å; L259-Y304 HydrophobicContact CB-CE1 4.2Å; L259-Y370 PolarHBondContact N-O 2.79Å; L259-Y370 PolarHBondContact O-N 3.41Å
260A98.3Very high93.9Very high0 Ų040.2 Ų40.20%018%0.18CC..EExtended strand (participates in β ladder)trans-86.6110.8164.400000108.5L130 D205 L206 L258 F369L130-A260 HydrophobicContact CD2-CB 4.2Å; D205-A260 CarbonylContact C-O 3.5Å; D205-A260 VanDerWaalsContact CA-O 3.31Å; D205-A260 WeakPolarHBondContact CA-O 3.32Å; D205-A260 HydrophobicContact CB-CB 3.99Å; D205-A260 WeakPolarHBondContact CB-O 3.43Å; L206-A260 PolarHBondContact N-O 3.31Å; L258-A260 HydrophobicContact CD2-CB 4.43Å; A260-F369 HydrophobicContact CB-CD1 4.41Å; A260-F369 HydrophobicContact CB-CE1 4.23Å
261L98Very high93.8Very high0 Ų046.4 Ų46.40%021%0.214CC..EExtended strand (participates in β ladder)trans-106.4109.4-179.3-173.674.4000109.6L206 V208 I216 L220 L263 I367 L368L206-L261 HydrophobicContact CB-CD1 4Å; L206-L261 HydrophobicContact CD2-CD1 4.03Å; L206-L261 HydrophobicContact CG-CD1 4.22Å; L206-L261 CarbonylContact O-C 3.35Å; L206-L261 WeakPolarHBondContact O-CA 3.45Å; L206-L261 WeakPolarHBondContact O-CD1 3.4Å; V208-L261 HydrophobicContact CG1-CD1 3.77Å; V208-L261 HydrophobicContact CG2-CD1 4Å; V208-L261 HydrophobicContact CG2-CD2 4.46Å; V208-L261 HydrophobicContact CG2-CG 4.2Å; I216-L261 HydrophobicContact CD1-CD2 4.06Å; I216-L261 HydrophobicContact CG1-CD2 4.43Å; I216-L261 HydrophobicContact CG2-CD2 3.36Å; L220-L261 HydrophobicContact CD2-CD1 3.98Å; L261-L263 HydrophobicContact CD2-CD2 4.43Å; L261-L263 HydrophobicContact CG-CD2 4.46Å; L261-I367 CarbonylContact O-C 3.48Å; L261-I367 WeakPolarHBondContact O-CA 3.32Å; L261-L368 HydrophobicContact CB-CB 4.3Å; L261-L368 HydrophobicContact CD2-CD1 4.27Å; L261-L368 PolarHBondContact N-O 3.47Å; L261-L368 PolarHBondContact O-N 3.02Å
262H98.2Very high93.8Very high16 Ų1648.3 Ų48.37%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-89.4130.2176.5163.9-130.8000110.9H127 L206 S207 V208 Y366H127-H262 VanDerWaalsContact CD2-CB 3.4Å; H127-H262 WeakPolarHBondContact CD2-CB 3.39Å; H127-H262 AromaticContact CD2-CG 3.44Å; H127-H262 VanDerWaalsContact CD2-CG 3.44Å; H127-H262 AromaticContact CD2-ND1 3.69Å; H127-H262 AromaticContact CE1-CE1 3.88Å; H127-H262 AromaticContact CE1-CG 3.87Å; H127-H262 AromaticContact CE1-ND1 3.3Å; H127-H262 PolarHBondContact CE1-ND1 2.92Å; H127-H262 VanDerWaalsContact CE1-ND1 3.3Å; H127-H262 AromaticContact CG-CD2 3.86Å; H127-H262 AromaticContact CG-CE1 3.84Å; H127-H262 AromaticContact CG-CG 3.61Å; H127-H262 AromaticContact CG-ND1 3.61Å; H127-H262 AromaticContact ND1-CE1 3.54Å; H127-H262 AromaticContact ND1-CG 3.9Å; H127-H262 AromaticContact ND1-ND1 3.39Å; H127-H262 PolarHBondContact ND1-ND1 3.35Å; H127-H262 WeakPolarHBondContact NE2-CB 3.48Å; H127-H262 AromaticContact NE2-CG 3.59Å; H127-H262 AromaticContact NE2-ND1 3.47Å; H127-H262 PolarHBondContact NE2-ND1 3.11Å; L206-H262 PolarHBondContact O-N 3.24Å; S207-H262 CarbonylContact C-O 3.51Å; S207-H262 WeakPolarHBondContact CA-O 3.47Å; S207-H262 PolarHBondContact OG-ND1 3.25Å; V208-H262 PolarHBondContact N-O 3.33Å; H262-Y366 AromaticContact CD2-CE2 3.69Å; H262-Y366 AromaticContact CD2-CZ 3.71Å; H262-Y366 AromaticContact NE2-CE2 3.38Å; H262-Y366 WeakPolarHBondContact NE2-CE2 3.16Å; H262-Y366 AromaticContact NE2-CZ 3.39Å; H262-Y366 PolarHBondContact NE2-OH 2.94Å; H262-Y366 VanDerWaalsContact NE2-OH 3.1Å
263L97.7Very high93.8Very high0 Ų054.1 Ų54.10%026%0.259CS..EExtended strand (participates in β ladder)trans-93.6110175.3-54.9-170.5000108.9V208 V210 I216 L261 R265 V282 Y366 L368V208-L263 HydrophobicContact CG2-CD2 3.72Å; V210-L263 HydrophobicContact CG1-CB 3.79Å; V210-L263 HydrophobicContact CG1-CD2 4.35Å; V210-L263 HydrophobicContact CG1-CG 4.46Å; I216-L263 HydrophobicContact CD1-CD1 4.14Å; I216-L263 HydrophobicContact CD1-CD2 3.37Å; I216-L263 HydrophobicContact CD1-CG 4.39Å; L261-L263 HydrophobicContact CD2-CD2 4.43Å; L261-L263 HydrophobicContact CG-CD2 4.46Å; L263-R265 HydrophobicContact CB-CG 4.23Å; L263-R265 PolarHBondContact O-N 3.12Å; L263-V282 HydrophobicContact CD1-CG1 4.41Å; L263-Y366 PolarHBondContact N-O 2.93Å; L263-L368 HydrophobicContact CD1-CD1 4.31Å; L263-L368 HydrophobicContact CD2-CD1 4.36Å
264K96.2Very high93.7Very high77 Ų7757.7 Ų57.734%0.33527%0.271SS..EExtended strand (participates in β ladder)trans-68.175.4-178.6-66.9179-177.1171.10111.6S207 V208 D209S207-K264 WeakPolarHBondContact O-CE 3.47Å; V208-K264 WeakPolarHBondContact O-CB 3.36Å; V208-K264 WeakPolarHBondContact O-CG 3.36Å; V208-K264 PolarHBondContact O-N 3.09Å; D209-K264 WeakPolarHBondContact OD1-CD 3.41Å; D209-K264 IonicContact OD1-NZ 2.76Å; D209-K264 IonicContact OD2-NZ 3.41Å
265R94.1Very high93.6Very high0 Ų058.5 Ų58.50%027%0.274CS..  trans-85.1-13.6-177.4-70.3-174.6-178.2-86.26.4113.2V210 L263 K277 L278 Y280 A365V210-R265 HydrophobicContact CG2-CG 4.24Å; L263-R265 HydrophobicContact CB-CG 4.23Å; L263-R265 PolarHBondContact O-N 3.12Å; R265-K277 HydrophobicContact CB-CG 4.4Å; R265-K277 CarbonylContact O-C 3.58Å; R265-K277 VanDerWaalsContact O-CA 3.31Å; R265-K277 WeakPolarHBondContact O-CA 3.31Å; R265-L278 PolarHBondContact NH1-O 2.87Å; R265-L278 VanDerWaalsContact NH1-O 3.09Å; R265-L278 WeakPolarHBondContact O-CG 3.22Å; R265-L278 PolarHBondContact O-N 3.09Å; R265-Y280 PolarHBondContact NH1-O 3.22Å; R265-A365 PolarHBondContact NE-O 2.81Å; R265-A365 PolarHBondContact NH2-O 2.82Å
266F92.7Very high93.5Very high36 Ų3660.5 Ų60.516%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-98.3114.9176.1-60-67.6000109.8I276 K277 H312 G316 P317 Y366F266-I276 WeakPolarHBondContact CA-O 3.46Å; F266-K277 HydrophobicContact CD1-CB 4.08Å; F266-K277 HydrophobicContact CD1-CG 4.34Å; F266-K277 HydrophobicContact CE1-CB 3.87Å; F266-K277 HydrophobicContact CE1-CD 4.39Å; F266-K277 HydrophobicContact CE1-CG 3.93Å; F266-H312 AromaticContact CZ-CE1 3.63Å; F266-H312 AromaticContact CZ-ND1 3.72Å; F266-G316 VanDerWaalsContact CE1-C 3.48Å; F266-P317 HydrophobicContact CD1-CB 3.96Å; F266-P317 HydrophobicContact CD1-CG 4.4Å; F266-P317 HydrophobicContact CE1-CB 4.02Å; F266-P317 HydrophobicContact CG-CB 4.25Å; F266-P317 HydrophobicContact CZ-CB 4.37Å; F266-Y366 HydrophobicContact CD2-CE2 4.05Å; F266-Y366 AromaticContact CE2-CE2 3.77Å; F266-Y366 HydrophobicContact CE2-CE2 3.77Å; F266-Y366 AromaticContact CE2-CZ 3.88Å
267K91.2Very high93.4Very high134 Ų13461.1 Ų61.158%0.58329%0.287SS*.EExtended strand (participates in β ladder)trans-123.7140.3179.4-173.3175.7179.2177.90109.6S269 F275 I276 L278K267-S269 PolarHBondContact O-N 3.08Å; K267-F275 WeakPolarHBondContact O-CA 3.07Å; K267-I276 PolarHBondContact N-O 2.72Å; K267-I276 WeakPolarHBondContact O-CG1 3.26Å; K267-I276 PolarHBondContact O-N 3.33Å; K267-L278 HydrophobicContact CB-CD1 4.14Å; K267-L278 HydrophobicContact CB-CD2 4.37Å; K267-L278 HydrophobicContact CB-CG 4.29Å; K267-L278 HydrophobicContact CD-CD1 4.46Å
268Y90.4Very high93.3Very high98 Ų9859.5 Ų59.538%0.38428%0.279SS..EExtended strand (participates in β ladder)trans-71.5124.4171.9-166.5-100.8000109.8E270 N273 F275Y268-E270 HydrophobicContact CD1-CG 4.2Å; Y268-E270 HydrophobicContact CE1-CG 4.33Å; Y268-N273 PolarHBondContact OH-OD1 2.8Å; Y268-F275 HydrophobicContact CD2-CD1 4.35Å; Y268-F275 AromaticContact CD2-CD2 3.96Å; Y268-F275 HydrophobicContact CD2-CD2 3.96Å; Y268-F275 HydrophobicContact CD2-CE1 4.2Å; Y268-F275 AromaticContact CD2-CE2 3.8Å; Y268-F275 HydrophobicContact CD2-CE2 3.8Å; Y268-F275 HydrophobicContact CD2-CG 4.23Å; Y268-F275 AromaticContact CD2-CZ 3.93Å; Y268-F275 HydrophobicContact CD2-CZ 3.93Å; Y268-F275 HydrophobicContact CE2-CE2 4.42Å
269S90.4Very high93Very high21 Ų2161.8 Ų61.815%0.14730%0.295CS..EExtended strand (participates in β ladder)trans-98.8110.5172.11790000108.6K267 N271 L272 N273 R274K267-S269 PolarHBondContact O-N 3.08Å; S269-N271 VanDerWaalsContact C-N 3.3Å; S269-N271 PolarHBondContact O-N 2.76Å; S269-L272 PolarHBondContact O-N 2.73Å; S269-L272 PolarHBondContact OG-N 3.14Å; S269-N273 WeakPolarHBondContact O-CA 3.4Å; S269-N273 PolarHBondContact O-N 2.7Å; S269-R274 PolarHBondContact N-O 3.06Å; S269-R274 PolarHBondContact O-N 3.11Å
270E91.2Very high92.7Very high164 Ų16465.2 Ų65.277%0.76631%0.308SS*.THydrogen-bonded Turntrans-60.4-41.5176.3-66.8179.8-177.900111.2Y268 L272 N273Y268-E270 HydrophobicContact CD1-CG 4.2Å; Y268-E270 HydrophobicContact CE1-CG 4.33Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.28Å; E270-N273 PolarHBondContact O-N 2.83Å; E270-N273 VanDerWaalsContact O-N 3.13Å
271N92.1Very high92.5Very high160 Ų16069.1 Ų69.186%0.85632%0.323SS*.THydrogen-bonded Turntrans-59.6-34.8178.7-65.4-13.5000113.6S269S269-N271 VanDerWaalsContact C-N 3.3Å; S269-N271 PolarHBondContact O-N 2.76Å
272L89.8Confident92.4Very high94 Ų9469.1 Ų69.149%0.49232%0.323SS..THydrogen-bonded Turntrans-101-1.7-180-61.9175.5000112.7S269 E270 R274 I276S269-L272 PolarHBondContact O-N 2.73Å; S269-L272 PolarHBondContact OG-N 3.14Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.28Å; L272-R274 HydrophobicContact CB-CG 3.91Å; L272-R274 PolarHBondContact O-N 3.24Å; L272-R274 VanDerWaalsContact O-N 3.14Å; L272-I276 HydrophobicContact CD1-CG2 3.91Å
273N90.9Very high92.3Very high125 Ų12569.3 Ų69.367%0.66833%0.327SS*.THydrogen-bonded Turntrans46.339.5-174.5-158.749.3000113.6Y268 S269 E270Y268-N273 PolarHBondContact OH-OD1 2.8Å; S269-N273 WeakPolarHBondContact O-CA 3.4Å; S269-N273 PolarHBondContact O-N 2.7Å; E270-N273 PolarHBondContact O-N 2.83Å; E270-N273 VanDerWaalsContact O-N 3.13Å
274R90Very high92.3Very high137 Ų13769.5 Ų69.552%0.51733%0.328SS..EExtended strand (participates in β ladder)trans-156.6161-178.570.4-174.7177.197.5-4.4112.3S269 L272 I276S269-R274 PolarHBondContact N-O 3.06Å; S269-R274 PolarHBondContact O-N 3.11Å; L272-R274 HydrophobicContact CB-CG 3.91Å; L272-R274 PolarHBondContact O-N 3.24Å; L272-R274 VanDerWaalsContact O-N 3.14Å; R274-I276 HydrophobicContact CG-CG2 4.44Å
275F88.9Confident92.3Very high112 Ų11267.9 Ų67.949%0.49133%0.325SS..EExtended strand (participates in β ladder)trans-69.9134.8168.4-72.4-83.9000111.5K267 Y268 P317K267-F275 WeakPolarHBondContact O-CA 3.07Å; Y268-F275 HydrophobicContact CD2-CD1 4.35Å; Y268-F275 AromaticContact CD2-CD2 3.96Å; Y268-F275 HydrophobicContact CD2-CD2 3.96Å; Y268-F275 HydrophobicContact CD2-CE1 4.2Å; Y268-F275 AromaticContact CD2-CE2 3.8Å; Y268-F275 HydrophobicContact CD2-CE2 3.8Å; Y268-F275 HydrophobicContact CD2-CG 4.23Å; Y268-F275 AromaticContact CD2-CZ 3.93Å; Y268-F275 HydrophobicContact CD2-CZ 3.93Å; Y268-F275 HydrophobicContact CE2-CE2 4.42Å; F275-P317 HydrophobicContact CB-CG 3.91Å
276I90Very high92.3Very high45 Ų4569.4 Ų69.423%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-119.4151.7173.762.5167.3000110.3F266 K267 L272 R274 L278F266-I276 WeakPolarHBondContact CA-O 3.46Å; K267-I276 PolarHBondContact N-O 2.72Å; K267-I276 WeakPolarHBondContact O-CG1 3.26Å; K267-I276 PolarHBondContact O-N 3.33Å; L272-I276 HydrophobicContact CD1-CG2 3.91Å; R274-I276 HydrophobicContact CG-CG2 4.44Å; I276-L278 HydrophobicContact CD1-CD2 4.24Å; I276-L278 HydrophobicContact CG1-CD2 4.47Å
277K92.1Very high92.4Very high17 Ų1773.5 Ų73.57%0.07435%0.352CS..EExtended strand (participates in β ladder)trans-91.8121.7171.2-172.8-168.9176.1-174.60110.7R265 F266 S279 H312 G314 S362 T364R265-K277 HydrophobicContact CB-CG 4.4Å; R265-K277 CarbonylContact O-C 3.58Å; R265-K277 VanDerWaalsContact O-CA 3.31Å; R265-K277 WeakPolarHBondContact O-CA 3.31Å; F266-K277 HydrophobicContact CD1-CB 4.08Å; F266-K277 HydrophobicContact CD1-CG 4.34Å; F266-K277 HydrophobicContact CE1-CB 3.87Å; F266-K277 HydrophobicContact CE1-CD 4.39Å; F266-K277 HydrophobicContact CE1-CG 3.93Å; K277-S279 PolarHBondContact O-N 2.78Å; K277-S279 VanDerWaalsContact O-N 3.14Å; K277-H312 VanDerWaalsContact CE-ND1 3.32Å; K277-H312 WeakPolarHBondContact CE-ND1 3.34Å; K277-H312 PolarHBondContact NZ-ND1 2.9Å; K277-H312 PolarHBondContact NZ-O 3.15Å; K277-G314 WeakPolarHBondContact CD-O 3.45Å; K277-G314 PolarHBondContact NZ-O 2.86Å; K277-G314 VanDerWaalsContact NZ-O 3.12Å; K277-S362 PolarHBondContact NZ-O 3.17Å; K277-T364 WeakPolarHBondContact CE-OG1 3.37Å; K277-T364 PolarHBondContact NZ-OG1 3.31Å
278L92.5Very high92.6Very high14 Ų1467.1 Ų67.17%0.07332%0.324CS..  trans-73.796.6170.2-53.7-177.7000109.3V210 R265 K267 I276 Y280V210-L278 HydrophobicContact CG2-CB 4.11Å; V210-L278 HydrophobicContact CG2-CD1 3.79Å; R265-L278 PolarHBondContact NH1-O 2.87Å; R265-L278 VanDerWaalsContact NH1-O 3.09Å; R265-L278 WeakPolarHBondContact O-CG 3.22Å; R265-L278 PolarHBondContact O-N 3.09Å; K267-L278 HydrophobicContact CB-CD1 4.14Å; K267-L278 HydrophobicContact CB-CD2 4.37Å; K267-L278 HydrophobicContact CB-CG 4.29Å; K267-L278 HydrophobicContact CD-CD1 4.46Å; I276-L278 HydrophobicContact CD1-CD2 4.24Å; I276-L278 HydrophobicContact CG1-CD2 4.47Å; L278-Y280 HydrophobicContact CB-CD2 3.8Å; L278-Y280 HydrophobicContact CB-CE2 3.82Å; L278-Y280 HydrophobicContact CB-CG 4.26Å; L278-Y280 HydrophobicContact CD1-CD2 4.31Å; L278-Y280 HydrophobicContact CD1-CE2 3.84Å; L278-Y280 HydrophobicContact CD2-CE2 3.79Å; L278-Y280 HydrophobicContact CG-CD2 4.45Å; L278-Y280 HydrophobicContact CG-CE2 4Å; L278-Y280 PolarHBondContact O-N 2.81Å
279S90.9Very high92.6Very high48 Ų4867.7 Ų67.734%0.33633%0.326SS..  trans-82.915.5180-58.40000113.3K277 S354K277-S279 PolarHBondContact O-N 2.78Å; K277-S279 VanDerWaalsContact O-N 3.14Å; S279-S354 PolarHBondContact O-N 2.91Å
280Y92.2Very high92.4Very high71 Ų7166.8 Ų66.828%0.27832%0.32SS..BIsolated β-bridgetrans-53140.3-179.4-55.7-27.3000112.2V210 G211 E212 R265 L278 V282V210-Y280 HydrophobicContact CG2-CD2 4.37Å; G211-Y280 WeakPolarHBondContact O-CB 3.36Å; E212-Y280 HydrophobicContact CG-CD1 3.37Å; E212-Y280 HydrophobicContact CG-CD2 4.04Å; E212-Y280 HydrophobicContact CG-CE1 3.46Å; E212-Y280 VanDerWaalsContact CG-CE1 3.46Å; E212-Y280 HydrophobicContact CG-CE2 4.13Å; E212-Y280 HydrophobicContact CG-CG 3.67Å; E212-Y280 WeakPolarHBondContact OE1-CE1 3.39Å; R265-Y280 PolarHBondContact NH1-O 3.22Å; L278-Y280 HydrophobicContact CB-CD2 3.8Å; L278-Y280 HydrophobicContact CB-CE2 3.82Å; L278-Y280 HydrophobicContact CB-CG 4.26Å; L278-Y280 HydrophobicContact CD1-CD2 4.31Å; L278-Y280 HydrophobicContact CD1-CE2 3.84Å; L278-Y280 HydrophobicContact CD2-CE2 3.79Å; L278-Y280 HydrophobicContact CG-CD2 4.45Å; L278-Y280 HydrophobicContact CG-CE2 4Å; L278-Y280 PolarHBondContact O-N 2.81Å; Y280-V282 PolarHBondContact O-N 2.88Å
281R94Very high91.6Very high83 Ų8364.9 Ų64.931%0.31331%0.309SS..  trans-65.2115.6167.7-173.2-180178.9-82.12.1109.9N213 V214 F352 S354 S355N213-R281 VanDerWaalsContact CA-O 3.26Å; N213-R281 WeakPolarHBondContact CA-O 3Å; N213-R281 PolarHBondContact N-O 2.96Å; V214-R281 PolarHBondContact N-O 3.18Å; R281-F352 CarbonylContact C-O 3.6Å; R281-F352 WeakPolarHBondContact CA-O 3.44Å; R281-F352 HydrophobicContact CG-CB 3.94Å; R281-S354 PolarHBondContact N-O 3.41Å; R281-S355 WeakPolarHBondContact CD-OG 3.35Å
282V96Very high90.5Very high0 Ų058.1 Ų58.10%027%0.273CS..EExtended strand (participates in β ladder)trans-123.7109.7173.2-1780000107.9V210 V214 I216 L263 Y280 F352V210-V282 HydrophobicContact CB-CG2 3.89Å; V210-V282 HydrophobicContact CG1-CG2 3.99Å; V214-V282 HydrophobicContact CG2-CG1 4.37Å; V214-V282 HydrophobicContact CG2-CG2 4.3Å; V214-V282 CarbonylContact O-C 3.58Å; V214-V282 VanDerWaalsContact O-CA 3.31Å; V214-V282 WeakPolarHBondContact O-CA 3.4Å; I216-V282 HydrophobicContact CD1-CG1 3.69Å; I216-V282 HydrophobicContact CG1-CG1 4.36Å; L263-V282 HydrophobicContact CD1-CG1 4.41Å; Y280-V282 PolarHBondContact O-N 2.88Å; V282-F352 PolarHBondContact N-O 3Å
283A96.1Very high89.5Confident20 Ų2054.5 Ų54.517%0.16525%0.254CS..EExtended strand (participates in β ladder)trans-76.8131.5179.100000110.5V214 D215 I216 F352V214-A283 PolarHBondContact O-N 2.96Å; D215-A283 CarbonylContact C-O 3.59Å; D215-A283 WeakPolarHBondContact CA-O 3.44Å; D215-A283 HydrophobicContact CB-CB 4.22Å; I216-A283 PolarHBondContact N-O 3.45Å; A283-F352 HydrophobicContact CB-CD2 3.96Å; A283-F352 HydrophobicContact CB-CE2 3.86Å; A283-F352 HydrophobicContact CB-CZ 4.46Å
284F96.8Very high88.2Confident4 Ų448.9 Ų48.92%0.01822%0.224CC..  trans-120.3128175.151.2-94.1000110.2I216 L306 V309 I348 F352 A365 L368I216-F284 HydrophobicContact CD1-CB 4.42Å; I216-F284 HydrophobicContact CG1-CB 3.48Å; I216-F284 VanDerWaalsContact CG1-CB 3.48Å; F284-L306 HydrophobicContact CD2-CD2 3.7Å; F284-L306 HydrophobicContact CE2-CD2 3.75Å; F284-V309 HydrophobicContact CE2-CG2 3.96Å; F284-V309 HydrophobicContact CZ-CG1 4.38Å; F284-V309 HydrophobicContact CZ-CG2 4.33Å; F284-I348 HydrophobicContact CE2-CG2 3.54Å; F284-I348 HydrophobicContact CZ-CG2 3.79Å; F284-F352 AromaticContact CD1-CD1 3.68Å; F284-F352 HydrophobicContact CD1-CD1 3.68Å; F284-F352 AromaticContact CD1-CE1 3.78Å; F284-F352 HydrophobicContact CD1-CE1 3.78Å; F284-F352 AromaticContact CD2-CE1 3.99Å; F284-F352 HydrophobicContact CD2-CE1 3.99Å; F284-F352 AromaticContact CE1-CD1 3.28Å; F284-F352 HydrophobicContact CE1-CD1 3.28Å; F284-F352 AromaticContact CE1-CE1 3.58Å; F284-F352 HydrophobicContact CE1-CE1 3.58Å; F284-F352 HydrophobicContact CE1-CG 4.44Å; F284-F352 HydrophobicContact CE2-CD1 4.32Å; F284-F352 AromaticContact CE2-CE1 3.8Å; F284-F352 HydrophobicContact CE2-CE1 3.8Å; F284-F352 HydrophobicContact CG-CD1 4.35Å; F284-F352 AromaticContact CG-CE1 3.97Å; F284-F352 HydrophobicContact CG-CE1 3.97Å; F284-F352 AromaticContact CZ-CD1 3.64Å; F284-F352 HydrophobicContact CZ-CD1 3.64Å; F284-F352 AromaticContact CZ-CE1 3.6Å; F284-F352 HydrophobicContact CZ-CE1 3.6Å; F284-A365 HydrophobicContact CD1-CB 3.99Å; F284-A365 HydrophobicContact CE1-CB 3.26Å; F284-A365 HydrophobicContact CZ-CB 3.84Å; F284-L368 HydrophobicContact CB-CD1 3.56Å; F284-L368 HydrophobicContact CB-CD2 4.26Å; F284-L368 HydrophobicContact CD1-CD1 4.27Å; F284-L368 HydrophobicContact CD1-CD2 3.93Å; F284-L368 HydrophobicContact CD2-CD2 3.81Å; F284-L368 HydrophobicContact CE1-CD2 4.18Å; F284-L368 HydrophobicContact CE2-CD2 4.07Å; F284-L368 HydrophobicContact CG-CD1 3.93Å; F284-L368 HydrophobicContact CG-CD2 3.74Å; F284-L368 HydrophobicContact CZ-CD2 4.25Å
285P95.6Very high86.9Confident43 Ų4347.9 Ų47.928%0.27924%0.238SC..  trans-77.9154.4-17733.5-36.5000111.1E287 L288 Y370P285-E287 WeakPolarHBondContact CB-O 3.39Å; P285-E287 WeakPolarHBondContact CG-O 3.31Å; P285-E287 PolarHBondContact O-N 2.89Å; P285-L288 HydrophobicContact CG-CB 4.22Å; P285-L288 HydrophobicContact CG-CD1 3.98Å; P285-Y370 WeakPolarHBondContact O-CE1 3.34Å; P285-Y370 PolarHBondContact O-OH 3.3Å
286M94.7Very high85.6Confident32 Ų3248.9 Ų48.916%0.15825%0.248CC..SBendtrans-68.3-29.5171.6-62.2-65.3142.900111.9N305 L306 W332 I348M286-N305 WeakPolarHBondContact O-CA 3.24Å; M286-L306 HydrophobicContact CE-CD2 4.15Å; M286-L306 PolarHBondContact O-N 2.87Å; M286-L306 HydrophobicContact SD-CD2 3.91Å; M286-W332 HydrophobicContact SD-CH2 4.4Å; M286-W332 HydrophobicContact SD-CZ2 3.63Å; M286-I348 HydrophobicContact CE-CB 3.96Å; M286-I348 HydrophobicContact CE-CD1 3.49Å; M286-I348 VanDerWaalsContact CE-CD1 3.49Å; M286-I348 HydrophobicContact CE-CG1 4.34Å; M286-I348 HydrophobicContact CE-CG2 3.69Å; M286-I348 HydrophobicContact SD-CD1 3.99Å
287E94.9Very high84.1Confident121 Ų12147.8 Ų47.857%0.56525%0.245SC*.EExtended strand (participates in β ladder)trans-123.4114.9177.7-63.9-177.1162.300108.1P285 L303 Y304P285-E287 WeakPolarHBondContact CB-O 3.39Å; P285-E287 WeakPolarHBondContact CG-O 3.31Å; P285-E287 PolarHBondContact O-N 2.89Å; E287-L303 HydrophobicContact CB-CD1 4.11Å; E287-Y304 CarbonylContact C-O 3.51Å; E287-Y304 VanDerWaalsContact CA-O 3.26Å; E287-Y304 WeakPolarHBondContact CA-O 3.26Å
288L94.4Very high82.5Confident0 Ų052.6 Ų52.60%028%0.28CS..EExtended strand (participates in β ladder)trans-106.5122.7-177.7179.167000109.4I216 L220 L259 P285 L290 Y304 Y370I216-L288 HydrophobicContact CG2-CD1 4.08Å; I216-L288 HydrophobicContact CG2-CD2 4.29Å; L220-L288 HydrophobicContact CD1-CD1 4.21Å; L220-L288 HydrophobicContact CD1-CD2 4.11Å; L259-L288 HydrophobicContact CD2-CD2 4.31Å; P285-L288 HydrophobicContact CG-CB 4.22Å; P285-L288 HydrophobicContact CG-CD1 3.98Å; L288-L290 HydrophobicContact CD2-CD2 4.06Å; L288-L290 HydrophobicContact CG-CD2 4.3Å; L288-Y304 PolarHBondContact N-O 2.81Å; L288-Y304 PolarHBondContact O-N 3.22Å; L288-Y370 HydrophobicContact CB-CD1 3.81Å; L288-Y370 HydrophobicContact CB-CE1 3.53Å; L288-Y370 HydrophobicContact CB-CG 4.47Å; L288-Y370 HydrophobicContact CD2-CD1 4.34Å; L288-Y370 HydrophobicContact CD2-CD2 3.98Å; L288-Y370 HydrophobicContact CD2-CE1 4.31Å; L288-Y370 HydrophobicContact CD2-CE2 3.92Å; L288-Y370 HydrophobicContact CD2-CG 4.18Å
289R91.1Very high80.8Confident110 Ų11055.1 Ų55.142%0.41529%0.294SS..EExtended strand (participates in β ladder)trans-95.1128.6168.4-71.5178.8-179.6-109.20.4109F291 D301 L303R289-F291 HydrophobicContact CB-CE1 3.81Å; R289-F291 HydrophobicContact CB-CE2 3.86Å; R289-F291 HydrophobicContact CB-CZ 3.44Å; R289-F291 VanDerWaalsContact CB-CZ 3.44Å; R289-F291 HydrophobicContact CG-CZ 4.41Å; R289-F291 WeakPolarHBondContact O-CD2 3.19Å; R289-F291 VanDerWaalsContact O-CE2 3.31Å; R289-F291 WeakPolarHBondContact O-CE2 3.49Å; R289-D301 IonicContact CZ-OD1 3.26Å; R289-D301 IonicContact CZ-OD2 2.77Å; R289-D301 IonicContact NH1-OD1 3.88Å; R289-D301 PolarHBondContact NH1-OD1 3.26Å; R289-D301 IonicContact NH1-OD2 3.24Å; R289-D301 PolarHBondContact NH1-OD2 2.99Å; R289-L303 HydrophobicContact CG-CD1 3.51Å
290L85.6Confident79.4Confident3 Ų358.9 Ų58.92%0.01631%0.311CS..  trans-88109174.9-63-177.7000109.4L220 P255 L259 L288 R302 Y304L220-L290 HydrophobicContact CD1-CD2 4.07Å; P255-L290 HydrophobicContact CB-CD1 3.6Å; P255-L290 HydrophobicContact CG-CD1 4.39Å; L259-L290 HydrophobicContact CD2-CD2 4.09Å; L288-L290 HydrophobicContact CD2-CD2 4.06Å; L288-L290 HydrophobicContact CG-CD2 4.3Å; L290-R302 PolarHBondContact N-O 2.75Å; L290-Y304 HydrophobicContact CD1-CD2 3.99Å; L290-Y304 HydrophobicContact CD1-CE2 3.44Å; L290-Y304 VanDerWaalsContact CD1-CE2 3.44Å; L290-Y304 HydrophobicContact CG-CD2 4.04Å; L290-Y304 HydrophobicContact CG-CE2 3.97Å
291F75.3Confident78.4Confident124 Ų12460.1 Ų60.154%0.54432%0.322SS..  trans-94.8-5.3178.2-50.7-77.6000113.1R289 M293R289-F291 HydrophobicContact CB-CE1 3.81Å; R289-F291 HydrophobicContact CB-CE2 3.86Å; R289-F291 HydrophobicContact CB-CZ 3.44Å; R289-F291 VanDerWaalsContact CB-CZ 3.44Å; R289-F291 HydrophobicContact CG-CZ 4.41Å; R289-F291 WeakPolarHBondContact O-CD2 3.19Å; R289-F291 VanDerWaalsContact O-CE2 3.31Å; R289-F291 WeakPolarHBondContact O-CE2 3.49Å; F291-M293 VanDerWaalsContact C-N 3.31Å; F291-M293 PolarHBondContact O-N 3.46Å
292N67.9Low77.9Confident17 Ų1758.8 Ų58.89%0.09132%0.317CS..  trans-9531.6-166.2-67.372.8000113.2L220 R221 S224 I252L220-N292 PolarHBondContact O-ND2 2.82Å; R221-N292 WeakPolarHBondContact CA-ND2 3.17Å; S224-N292 WeakPolarHBondContact CB-ND2 3.48Å; S224-N292 PolarHBondContact OG-ND2 2.89Å; I252-N292 PolarHBondContact N-O 3.49Å
293M69.1Low77.8Confident19 Ų1960.9 Ų60.99%0.09433%0.328CS..BIsolated β-bridgetrans-84.5147.8-172.8-58.8-175.653.600111.9I252 P255 F291 S297 N299I252-M293 CarbonylContact O-C 3.56Å; I252-M293 VanDerWaalsContact O-CA 3.24Å; I252-M293 WeakPolarHBondContact O-CA 3.36Å; P255-M293 HydrophobicContact CG-CE 4.26Å; F291-M293 VanDerWaalsContact C-N 3.31Å; F291-M293 PolarHBondContact O-N 3.46Å; M293-S297 VanDerWaalsContact CB-OG 3.25Å; M293-S297 WeakPolarHBondContact CB-OG 3.36Å; M293-S297 VanDerWaalsContact CE-CB 3.41Å; M293-S297 VanDerWaalsContact CE-OG 3.23Å; M293-S297 WeakPolarHBondContact CE-OG 3.26Å; M293-N299 HydrophobicContact CE-CB 4.16Å; M293-N299 WeakPolarHBondContact CE-O 3.41Å
294S63.4Low77.7Confident7 Ų759.9 Ų59.95%0.04932%0.32CS..  trans-66.9151.9173.359.70000111I252 K253 D296 S297I252-S294 PolarHBondContact O-N 3.28Å; K253-S294 WeakPolarHBondContact CA-OG 3.45Å; S294-D296 PolarHBondContact O-N 3.44Å; S294-S297 PolarHBondContact O-N 3.02Å; S294-S297 PolarHBondContact O-OG 2.71Å
295S63.4Low77.7Confident115 Ų11561.3 Ų61.380%0.80433%0.327SS*.THydrogen-bonded Turntrans-48.7-29.6178.150.10000114.8S297S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact O-N 2.92Å
296D62.3Low77.8Confident133 Ų13359.3 Ų59.371%0.71132%0.315SS*.THydrogen-bonded Turntrans-86.1-0.7-173.5-54.7-14000113.5S294 S298S294-D296 PolarHBondContact O-N 3.44Å; D296-S298 PolarHBondContact O-N 2.88Å
297S58.5Low77.9Confident23 Ų2358.5 Ų58.516%0.16131%0.311CS..  trans-84.9112.1-179.266.80000110.9M293 S294 S295 N299M293-S297 VanDerWaalsContact CB-OG 3.25Å; M293-S297 WeakPolarHBondContact CB-OG 3.36Å; M293-S297 VanDerWaalsContact CE-CB 3.41Å; M293-S297 VanDerWaalsContact CE-OG 3.23Å; M293-S297 WeakPolarHBondContact CE-OG 3.26Å; S294-S297 PolarHBondContact O-N 3.02Å; S294-S297 PolarHBondContact O-OG 2.71Å; S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact O-N 2.92Å; S297-N299 PolarHBondContact O-N 2.81Å
298S57.9Low78.1Confident117 Ų11752.8 Ų52.882%0.81828%0.284SS*.SBendtrans-64.68.8175.355.90000115.6D296D296-S298 PolarHBondContact O-N 2.88Å
299N56.6Low78.3Confident67 Ų6752.8 Ų52.836%0.35828%0.284SS..  trans-130.856.7-168.9-82.9-58.9000112M293 S297 D301 R302M293-N299 HydrophobicContact CE-CB 4.16Å; M293-N299 WeakPolarHBondContact CE-O 3.41Å; S297-N299 PolarHBondContact O-N 2.81Å; N299-D301 PolarHBondContact O-N 2.54Å; N299-R302 HydrophobicContact CB-CG 4.36Å
300D61.1Low78.6Confident128 Ų12847.5 Ų47.568%0.68426%0.264SS*.THydrogen-bonded Turntrans-66.55.9-170.7-150.326.1000115.7
301D72Confident79.2Confident97 Ų9747.4 Ų47.452%0.51926%0.263SS..THydrogen-bonded Turntrans-146.556.7-179.4-159.720.6000113.1R289 N299 L303R289-D301 IonicContact CZ-OD1 3.26Å; R289-D301 IonicContact CZ-OD2 2.77Å; R289-D301 IonicContact NH1-OD1 3.88Å; R289-D301 PolarHBondContact NH1-OD1 3.26Å; R289-D301 IonicContact NH1-OD2 3.24Å; R289-D301 PolarHBondContact NH1-OD2 2.99Å; N299-D301 PolarHBondContact O-N 2.54Å; D301-L303 PolarHBondContact O-N 3.29Å
302R84Confident80.1Confident54 Ų5441.5 Ų41.520%0.20424%0.238CC..  trans-75.2116.8170.2-69.8-144.9-169.5169.62110.8P255 L290 N299 Y304 D372P255-R302 HydrophobicContact CG-CG 4.28Å; P255-R302 PolarHBondContact O-NH1 2.81Å; L290-R302 PolarHBondContact N-O 2.75Å; N299-R302 HydrophobicContact CB-CG 4.36Å; R302-Y304 HydrophobicContact CB-CD2 4.45Å; R302-Y304 HydrophobicContact CB-CE2 3.81Å; R302-D372 IonicContact NH1-OD2 2.78Å
303L92.2Very high81.3Confident44 Ų4441.3 Ų41.323%0.2324%0.237CC..EExtended strand (participates in β ladder)trans-92.7134.2171.5-169.768.2000110.2E287 R289 D301 A373E287-L303 HydrophobicContact CB-CD1 4.11Å; R289-L303 HydrophobicContact CG-CD1 3.51Å; D301-L303 PolarHBondContact O-N 3.29Å; L303-A373 HydrophobicContact CB-CB 4.02Å; L303-A373 HydrophobicContact CD2-CB 4.15Å; L303-A373 HydrophobicContact CG-CB 4.12Å; L303-A373 VanDerWaalsContact O-CB 3.24Å; L303-A373 WeakPolarHBondContact O-CB 3.39Å; L303-A373 PolarHBondContact O-N 3.12Å
304Y95.6Very high82.3Confident0 Ų041.1 Ų41.10%024%0.24CC..EExtended strand (participates in β ladder)trans-119.8141.3175.2-74.9-100000111.3P255 P256 L259 E287 L288 L290 R302 Y370 L371 D372P255-Y304 WeakPolarHBondContact CB-OH 3.5Å; P256-Y304 WeakPolarHBondContact O-CE1 3.4Å; P256-Y304 PolarHBondContact O-OH 2.72Å; L259-Y304 HydrophobicContact CB-CD1 4.35Å; L259-Y304 HydrophobicContact CB-CE1 4.2Å; E287-Y304 CarbonylContact C-O 3.51Å; E287-Y304 VanDerWaalsContact CA-O 3.26Å; E287-Y304 WeakPolarHBondContact CA-O 3.26Å; L288-Y304 PolarHBondContact N-O 2.81Å; L288-Y304 PolarHBondContact O-N 3.22Å; L290-Y304 HydrophobicContact CD1-CD2 3.99Å; L290-Y304 HydrophobicContact CD1-CE2 3.44Å; L290-Y304 VanDerWaalsContact CD1-CE2 3.44Å; L290-Y304 HydrophobicContact CG-CD2 4.04Å; L290-Y304 HydrophobicContact CG-CE2 3.97Å; R302-Y304 HydrophobicContact CB-CD2 4.45Å; R302-Y304 HydrophobicContact CB-CE2 3.81Å; Y304-Y370 WeakPolarHBondContact CD1-O 3.36Å; Y304-L371 CarbonylContact C-O 3.53Å; Y304-L371 WeakPolarHBondContact CA-O 3.44Å; Y304-L371 VanDerWaalsContact CD1-C 3.46Å; Y304-D372 HydrophobicContact CE1-CB 4.12Å
305N96.2Very high83.1Confident33 Ų3345.2 Ų45.218%0.17627%0.269CS..EExtended strand (participates in β ladder)trans-101.4130.1174.2-67.5-20.5000110.2M286 M307 Y370 L371 A376M286-N305 WeakPolarHBondContact O-CA 3.24Å; N305-M307 PolarHBondContact O-N 3.01Å; N305-Y370 CarbonylContact O-C 3.59Å; N305-Y370 WeakPolarHBondContact O-CA 3.35Å; N305-L371 PolarHBondContact N-O 2.95Å; N305-L371 PolarHBondContact O-N 3.36Å; N305-A376 HydrophobicContact CB-CB 4.46Å
306L97.8Very high83.8Confident2 Ų240.2 Ų40.21%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-64.5121.2171.2-172.471.8000108.9F284 M286 V309 K327 W332 L368 Y370F284-L306 HydrophobicContact CD2-CD2 3.7Å; F284-L306 HydrophobicContact CE2-CD2 3.75Å; M286-L306 HydrophobicContact CE-CD2 4.15Å; M286-L306 PolarHBondContact O-N 2.87Å; M286-L306 HydrophobicContact SD-CD2 3.91Å; L306-V309 HydrophobicContact CD1-CG2 4.02Å; L306-V309 HydrophobicContact CD2-CG2 3.83Å; L306-V309 HydrophobicContact CG-CG2 4.18Å; L306-K327 WeakPolarHBondContact O-CD 3.44Å; L306-W332 HydrophobicContact CB-CH2 4.45Å; L306-W332 HydrophobicContact CD2-CH2 3.74Å; L306-W332 HydrophobicContact CD2-CZ2 4.31Å; L306-W332 HydrophobicContact CG-CH2 3.91Å; L306-L368 HydrophobicContact CD1-CB 4.12Å; L306-L368 HydrophobicContact CD1-CD2 4.17Å; L306-Y370 HydrophobicContact CB-CD1 4.08Å; L306-Y370 HydrophobicContact CB-CE1 3.63Å; L306-Y370 HydrophobicContact CD1-CD1 4.25Å; L306-Y370 HydrophobicContact CD1-CD2 4.22Å; L306-Y370 HydrophobicContact CD1-CE1 3.83Å; L306-Y370 HydrophobicContact CD1-CE2 3.82Å; L306-Y370 HydrophobicContact CD1-CG 4.43Å; L306-Y370 HydrophobicContact CG-CE1 4.32Å
307M97.1Very high84.4Confident15 Ų1535.6 Ų35.67%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-114.6-29.3-177.960.5147.2-66.700113.3F58 C59 L258 N305 K327 F369 L371F58-M307 VanDerWaalsContact C-CE 3.49Å; F58-M307 HydrophobicContact CB-CE 4.48Å; F58-M307 WeakPolarHBondContact O-CE 3.41Å; C59-M307 VanDerWaalsContact CA-CE 3.49Å; C59-M307 HydrophobicContact CB-CE 3.75Å; C59-M307 HydrophobicContact CB-SD 3.9Å; L258-M307 HydrophobicContact CD1-SD 3.73Å; N305-M307 PolarHBondContact O-N 3.01Å; M307-K327 PolarHBondContact O-N 2.64Å; M307-F369 HydrophobicContact CG-CB 3.96Å; M307-F369 WeakPolarHBondContact CG-O 3.49Å; M307-F369 PolarHBondContact N-O 3.03Å; M307-F369 HydrophobicContact SD-CB 4.43Å; M307-L371 HydrophobicContact CG-CB 4.14Å; M307-L371 HydrophobicContact SD-CB 4.18Å
308A98.4Very high85.3Confident0 Ų040.7 Ų40.70%024%0.238CC..EExtended strand (participates in β ladder)trans-153.1156.517500000111.9A55 L325 V326 F369A55-A308 HydrophobicContact CB-CB 3.9Å; A308-L325 CarbonylContact C-O 3.49Å; A308-L325 WeakPolarHBondContact CA-O 3.1Å; A308-L325 WeakPolarHBondContact CB-O 3.41Å; A308-V326 HydrophobicContact CB-CG2 4.4Å; A308-F369 HydrophobicContact CB-CB 4.05Å; A308-F369 HydrophobicContact CB-CD2 4.22Å; A308-F369 HydrophobicContact CB-CG 4.36Å; A308-F369 PolarHBondContact N-O 3.34Å; A308-F369 PolarHBondContact O-N 3.36Å
309V98.6Very high86.3Confident0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-136.3117.2176.8-178.30000108.3F284 L306 V311 T324 L325 A365 I367 L368F284-V309 HydrophobicContact CE2-CG2 3.96Å; F284-V309 HydrophobicContact CZ-CG1 4.38Å; F284-V309 HydrophobicContact CZ-CG2 4.33Å; L306-V309 HydrophobicContact CD1-CG2 4.02Å; L306-V309 HydrophobicContact CD2-CG2 3.83Å; L306-V309 HydrophobicContact CG-CG2 4.18Å; V309-V311 HydrophobicContact CG1-CG2 3.77Å; V309-T324 CarbonylContact O-C 3.52Å; V309-T324 VanDerWaalsContact O-CA 3.32Å; V309-T324 WeakPolarHBondContact O-CA 3.4Å; V309-L325 HydrophobicContact CB-CB 4.05Å; V309-L325 HydrophobicContact CB-CD1 4.11Å; V309-L325 HydrophobicContact CB-CG 4.21Å; V309-L325 HydrophobicContact CG1-CD1 4.45Å; V309-L325 HydrophobicContact CG2-CD1 4.47Å; V309-L325 PolarHBondContact N-O 2.9Å; V309-L325 PolarHBondContact O-N 3.07Å; V309-A365 HydrophobicContact CG1-CB 3.57Å; V309-I367 CarbonylContact C-O 3.49Å; V309-I367 WeakPolarHBondContact CA-O 3.46Å; V309-L368 HydrophobicContact CB-CD2 4.3Å; V309-L368 HydrophobicContact CG1-CD2 3.78Å; V309-L368 HydrophobicContact CG2-CD2 3.78Å
310V98.5Very high87.8Confident0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-81126.4163.1173.90000107.3V52 A55 A126 Y322 Y366 I367 F369V52-V310 HydrophobicContact CG2-CG2 4.43Å; A55-V310 HydrophobicContact CB-CG2 4.17Å; A126-V310 HydrophobicContact CB-CG1 4.16Å; V310-Y322 HydrophobicContact CG1-CD1 3.87Å; V310-Y366 WeakPolarHBondContact O-CA 3.17Å; V310-Y366 WeakPolarHBondContact O-CB 3.23Å; V310-Y366 PolarHBondContact O-N 2.97Å; V310-I367 HydrophobicContact CB-CB 4.03Å; V310-I367 HydrophobicContact CB-CD1 4.44Å; V310-I367 HydrophobicContact CB-CG1 4.33Å; V310-I367 HydrophobicContact CG2-CB 4.48Å; V310-I367 PolarHBondContact N-O 3.48Å; V310-I367 PolarHBondContact O-N 2.52Å; V310-I367 VanDerWaalsContact O-N 3.09Å; V310-F369 HydrophobicContact CG2-CE2 3.84Å
311V97.5Very high89.3Confident0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-112.6137.9-177.7176.80000108.5V309 Y322 V323 L325 F351 Y363V309-V311 HydrophobicContact CG1-CG2 3.77Å; V311-Y322 VanDerWaalsContact O-CA 3.3Å; V311-Y322 WeakPolarHBondContact O-CA 3.32Å; V311-V323 HydrophobicContact CB-CG2 3.73Å; V311-V323 HydrophobicContact CG1-CG2 4.1Å; V311-V323 HydrophobicContact CG2-CG2 4.44Å; V311-V323 PolarHBondContact N-O 3.43Å; V311-V323 PolarHBondContact O-N 2.89Å; V311-L325 HydrophobicContact CG2-CD1 4.14Å; V311-L325 HydrophobicContact CG2-CG 4.04Å; V311-F351 HydrophobicContact CB-CD1 4.3Å; V311-F351 HydrophobicContact CG1-CD1 3.59Å; V311-F351 HydrophobicContact CG1-CE1 4.13Å; V311-F351 HydrophobicContact CG2-CB 4.32Å; V311-F351 HydrophobicContact CG2-CD1 3.77Å; V311-F351 HydrophobicContact CG2-CE1 4.34Å; V311-F351 HydrophobicContact CG2-CG 4.16Å; V311-Y363 HydrophobicContact CG1-CD1 3.8Å; V311-Y363 HydrophobicContact CG1-CG 4.35Å
312H95.1Very high90.5Very high1 Ų134 Ų341%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-110.4128.9172.5179.3-110.2000110.5F266 K277 Y322 T364 Y366F266-H312 AromaticContact CZ-CE1 3.63Å; F266-H312 AromaticContact CZ-ND1 3.72Å; K277-H312 VanDerWaalsContact CE-ND1 3.32Å; K277-H312 WeakPolarHBondContact CE-ND1 3.34Å; K277-H312 PolarHBondContact NZ-ND1 2.9Å; K277-H312 PolarHBondContact NZ-O 3.15Å; H312-Y322 HydrophobicContact CB-CD1 3.98Å; H312-Y322 HydrophobicContact CB-CE1 3.68Å; H312-Y322 AromaticContact CD2-CD1 3.99Å; H312-Y322 AromaticContact CD2-CE1 3.56Å; H312-Y322 AromaticContact CD2-CE2 3.73Å; H312-Y322 AromaticContact CD2-CZ 3.43Å; H312-Y322 VanDerWaalsContact CD2-CZ 3.43Å; H312-Y322 AromaticContact CG-CE1 3.9Å; H312-T364 PolarHBondContact N-O 2.85Å; H312-T364 PolarHBondContact O-N 2.99Å; H312-T364 PolarHBondContact O-OG1 2.89Å; H312-Y366 HydrophobicContact CB-CG 4.22Å
313S92.9Very high91.1Very high12 Ų1231.5 Ų31.58%0.08417%0.171CC..EExtended strand (participates in β ladder)trans-108.7140.7168.8-168.40000110.1G320 H321 S362 Y363S313-G320 CarbonylContact O-C 3.57Å; S313-G320 VanDerWaalsContact O-C 3.3Å; S313-G320 WeakPolarHBondContact O-CA 3.46Å; S313-H321 PolarHBondContact N-O 3.24Å; S313-H321 PolarHBondContact O-N 3.24Å; S313-S362 WeakPolarHBondContact CA-O 3.41Å; S313-S362 PolarHBondContact OG-OG 3.03Å; S313-Y363 WeakPolarHBondContact OG-CE2 3.2Å
314G89.2Confident91.4Very high15 Ų1529.4 Ų29.416%0.15516%0.16CC..EExtended strand (participates in β ladder)trans125.4167-177.900000113K277 S362K277-G314 WeakPolarHBondContact CD-O 3.45Å; K277-G314 PolarHBondContact NZ-O 2.86Å; K277-G314 VanDerWaalsContact NZ-O 3.12Å; G314-S362 PolarHBondContact N-OG 3.33Å
315S81.3Confident91.6Very high94 Ų9429.4 Ų29.466%0.65716%0.16SC*.EExtended strand (participates in β ladder)trans-97.9-10.8-169.4600000114.8
316G77.6Confident91.6Very high9 Ų927.8 Ų27.89%0.09315%0.152CC..EExtended strand (participates in β ladder)trans-155.7175.8-176.700000112.5F266 R319F266-G316 VanDerWaalsContact CE1-C 3.48Å; G316-R319 VanDerWaalsContact O-O 3.08Å
317P75.3Confident91.5Very high37 Ų3729.6 Ų29.624%0.2416%0.159CC..THydrogen-bonded Turntrans-70.1-32.4-175.526.6-34.1000112.9F266 F275F266-P317 HydrophobicContact CD1-CB 3.96Å; F266-P317 HydrophobicContact CD1-CG 4.4Å; F266-P317 HydrophobicContact CE1-CB 4.02Å; F266-P317 HydrophobicContact CG-CB 4.25Å; F266-P317 HydrophobicContact CZ-CB 4.37Å; F275-P317 HydrophobicContact CB-CG 3.91Å
318N76.5Confident91.4Very high129 Ų12929.2 Ų29.269%0.6916%0.158SC*.THydrogen-bonded Turntrans-94.82.7-175.6-54.8-14.8000113.2Q123Q123-N318 VanDerWaalsContact OE1-C 3.23Å; Q123-N318 PolarHBondContact OE1-O 3.39Å; Q123-N318 VanDerWaalsContact OE1-O 3.11Å
319R79.2Confident90.9Very high195 Ų19531 Ų3174%0.73617%0.167SC*.EExtended strand (participates in β ladder)trans-145.4102.1-176.2-70.3-168.2-172.9-84.20.8110.3Q123 G316Q123-R319 VanDerWaalsContact OE1-C 3.25Å; Q123-R319 VanDerWaalsContact OE1-N 3.15Å; G316-R319 VanDerWaalsContact O-O 3.08Å
320G87.7Confident90.5Very high17 Ų1736.7 Ų36.718%0.17519%0.193CC..EExtended strand (participates in β ladder)trans-178-173.1177.200000114.8Q123 S313Q123-G320 PolarHBondContact NE2-O 2.88Å; Q123-G320 PolarHBondContact OE1-O 3.32Å; S313-G320 CarbonylContact O-C 3.57Å; S313-G320 VanDerWaalsContact O-C 3.3Å; S313-G320 WeakPolarHBondContact O-CA 3.46Å
321H93.6Very high90.3Very high47 Ų4738.9 Ų38.922%0.21820%0.204CC..EExtended strand (participates in β ladder)trans-142.2135.2-179.5-175.650.6000109.1C47 S313 D336 D337C47-H321 PolarHBondContact SG-ND1 2.85Å; C47-H321 VanDerWaalsContact SG-ND1 3.38Å; S313-H321 PolarHBondContact N-O 3.24Å; S313-H321 PolarHBondContact O-N 3.24Å; H321-D336 IonicContact CD2-OD1 3.86Å; H321-D336 IonicContact CE1-OD1 3.9Å; H321-D336 PolarHBondContact CE1-OD1 3.33Å; H321-D336 IonicContact NE2-OD1 3.98Å; H321-D336 PolarHBondContact NE2-OD1 2.92Å; H321-D336 IonicContact NE2-OD2 2.73Å; H321-D337 IonicContact CE1-OD2 2.76Å; H321-D337 PolarHBondContact CE1-OD2 3Å
322Y96.6Very high90.2Very high9 Ų939 Ų394%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-106.7134.2179.3-70.1-85.9000110.6S51 Q124 A126 V310 V311 H312 Y366S51-Y322 WeakPolarHBondContact OG-CB 3.35Å; Q124-Y322 WeakPolarHBondContact O-CE2 3.29Å; A126-Y322 HydrophobicContact CB-CD1 3.72Å; A126-Y322 HydrophobicContact CB-CD2 4.46Å; A126-Y322 HydrophobicContact CB-CE1 3.49Å; A126-Y322 VanDerWaalsContact CB-CE1 3.49Å; A126-Y322 HydrophobicContact CB-CE2 4.27Å; A126-Y322 HydrophobicContact CB-CG 4.19Å; V310-Y322 HydrophobicContact CG1-CD1 3.87Å; V311-Y322 VanDerWaalsContact O-CA 3.3Å; V311-Y322 WeakPolarHBondContact O-CA 3.32Å; H312-Y322 HydrophobicContact CB-CD1 3.98Å; H312-Y322 HydrophobicContact CB-CE1 3.68Å; H312-Y322 AromaticContact CD2-CD1 3.99Å; H312-Y322 AromaticContact CD2-CE1 3.56Å; H312-Y322 AromaticContact CD2-CE2 3.73Å; H312-Y322 AromaticContact CD2-CZ 3.43Å; H312-Y322 VanDerWaalsContact CD2-CZ 3.43Å; H312-Y322 AromaticContact CG-CE1 3.9Å; Y322-Y366 HydrophobicContact CD1-CD1 4.45Å; Y322-Y366 AromaticContact CE1-CD1 3.58Å; Y322-Y366 HydrophobicContact CE1-CD1 3.58Å; Y322-Y366 AromaticContact CE1-CE1 3.92Å; Y322-Y366 HydrophobicContact CE1-CE1 3.92Å; Y322-Y366 HydrophobicContact CE1-CG 4.34Å
323V97.4Very high90.3Very high2 Ų238.9 Ų38.91%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-131.8162173.5-57.50000109V311 L334 F335 D336 Y363V311-V323 HydrophobicContact CB-CG2 3.73Å; V311-V323 HydrophobicContact CG1-CG2 4.1Å; V311-V323 HydrophobicContact CG2-CG2 4.44Å; V311-V323 PolarHBondContact N-O 3.43Å; V311-V323 PolarHBondContact O-N 2.89Å; V323-L334 HydrophobicContact CB-CD1 3.87Å; V323-L334 HydrophobicContact CG2-CD1 3.72Å; V323-F335 WeakPolarHBondContact CA-O 3.41Å; V323-F335 WeakPolarHBondContact CB-O 3.3Å; V323-D336 HydrophobicContact CG1-CB 3.88Å; V323-Y363 HydrophobicContact CG1-CE1 4.34Å; V323-Y363 HydrophobicContact CG2-CD1 4.11Å; V323-Y363 HydrophobicContact CG2-CE1 4.02Å
324T98.5Very high90.5Very high0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-127.1129.4-179-62.90000112S51 Q54 A55 V309 V326 F335S51-T324 WeakPolarHBondContact CA-OG1 3.25Å; S51-T324 WeakPolarHBondContact CB-OG1 3.45Å; S51-T324 PolarHBondContact O-OG1 2.95Å; Q54-T324 HydrophobicContact CB-CG2 4.31Å; A55-T324 HydrophobicContact CB-CG2 3.85Å; V309-T324 CarbonylContact O-C 3.52Å; V309-T324 VanDerWaalsContact O-CA 3.32Å; V309-T324 WeakPolarHBondContact O-CA 3.4Å; T324-V326 HydrophobicContact CG2-CG2 3.83Å; T324-F335 PolarHBondContact N-O 2.8Å; T324-F335 PolarHBondContact O-N 3.46Å
325L98.3Very high90.9Very high0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-90.7136.2166.3-44.6177.8000108.7A308 V309 V311 W332 F333 L334 I343 I348 F351A308-L325 CarbonylContact C-O 3.49Å; A308-L325 WeakPolarHBondContact CA-O 3.1Å; A308-L325 WeakPolarHBondContact CB-O 3.41Å; V309-L325 HydrophobicContact CB-CB 4.05Å; V309-L325 HydrophobicContact CB-CD1 4.11Å; V309-L325 HydrophobicContact CB-CG 4.21Å; V309-L325 HydrophobicContact CG1-CD1 4.45Å; V309-L325 HydrophobicContact CG2-CD1 4.47Å; V309-L325 PolarHBondContact N-O 2.9Å; V309-L325 PolarHBondContact O-N 3.07Å; V311-L325 HydrophobicContact CG2-CD1 4.14Å; V311-L325 HydrophobicContact CG2-CG 4.04Å; L325-W332 HydrophobicContact CB-CE3 4.13Å; L325-W332 HydrophobicContact CB-CZ3 4.16Å; L325-F333 CarbonylContact C-O 3.32Å; L325-F333 VanDerWaalsContact CA-O 3.3Å; L325-F333 WeakPolarHBondContact CA-O 3.37Å; L325-L334 HydrophobicContact CD2-CB 4.14Å; L325-L334 HydrophobicContact CD2-CD1 3.51Å; L325-L334 HydrophobicContact CD2-CG 4.39Å; L325-I343 HydrophobicContact CD2-CD1 3.73Å; L325-I348 HydrophobicContact CD1-CG2 4.33Å; L325-F351 HydrophobicContact CD1-CB 4.42Å; L325-F351 HydrophobicContact CD1-CD2 3.49Å; L325-F351 VanDerWaalsContact CD1-CD2 3.49Å; L325-F351 HydrophobicContact CD1-CE2 3.75Å; L325-F351 HydrophobicContact CD1-CG 3.9Å; L325-F351 HydrophobicContact CD1-CZ 4.38Å; L325-F351 HydrophobicContact CD2-CD2 4.42Å; L325-F351 HydrophobicContact CD2-CE1 4.43Å; L325-F351 HydrophobicContact CD2-CE2 3.85Å; L325-F351 HydrophobicContact CD2-CZ 3.84Å; L325-F351 HydrophobicContact CG-CE2 4.43Å
326V97.7Very high91.6Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-132.3136.9179.1170.20000109.5F58 A308 T324 W332 F333 F335F58-V326 HydrophobicContact CB-CG1 3.4Å; F58-V326 VanDerWaalsContact CB-CG1 3.4Å; F58-V326 HydrophobicContact CB-CG2 4.34Å; F58-V326 HydrophobicContact CD1-CG1 3.58Å; F58-V326 HydrophobicContact CD2-CB 4.26Å; F58-V326 HydrophobicContact CD2-CG1 3.59Å; F58-V326 HydrophobicContact CD2-CG2 3.85Å; F58-V326 HydrophobicContact CE1-CG1 4.2Å; F58-V326 HydrophobicContact CE2-CG1 4.22Å; F58-V326 HydrophobicContact CE2-CG2 4.49Å; F58-V326 HydrophobicContact CG-CB 4.34Å; F58-V326 HydrophobicContact CG-CG1 3.24Å; F58-V326 HydrophobicContact CG-CG2 4.26Å; F58-V326 HydrophobicContact CZ-CG1 4.49Å; A308-V326 HydrophobicContact CB-CG2 4.4Å; T324-V326 HydrophobicContact CG2-CG2 3.83Å; V326-W332 CarbonylContact O-C 3.48Å; V326-W332 WeakPolarHBondContact O-CA 3.45Å; V326-F333 PolarHBondContact N-O 3.37Å; V326-F333 PolarHBondContact O-N 3.21Å; V326-F335 HydrophobicContact CB-CD2 4.25Å; V326-F335 HydrophobicContact CB-CE2 3.88Å; V326-F335 HydrophobicContact CG2-CD2 3.89Å; V326-F335 HydrophobicContact CG2-CE2 3.85Å
327K95.6Very high92.6Very high39 Ų3935.8 Ų35.817%0.1717%0.173CC..EExtended strand (participates in β ladder)trans-92.9125.5169-165-176.9-176.1-1690110.1L306 M307 E330 L331 W332L306-K327 WeakPolarHBondContact O-CD 3.44Å; M307-K327 PolarHBondContact O-N 2.64Å; K327-E330 WeakPolarHBondContact CE-OE1 3.14Å; K327-E330 WeakPolarHBondContact CE-OE2 3.07Å; K327-E330 IonicContact NZ-OE1 3.56Å; K327-E330 PolarHBondContact NZ-OE1 3.47Å; K327-E330 IonicContact NZ-OE2 3.4Å; K327-E330 PolarHBondContact NZ-OE2 2.81Å; K327-L331 CarbonylContact C-O 3Å; K327-L331 WeakPolarHBondContact CA-O 3.47Å; K327-W332 HydrophobicContact CB-CD2 4.08Å; K327-W332 HydrophobicContact CB-CE3 4.13Å; K327-W332 HydrophobicContact CB-CH2 3.78Å; K327-W332 HydrophobicContact CB-CZ2 3.72Å; K327-W332 HydrophobicContact CB-CZ3 3.98Å; K327-W332 HydrophobicContact CD-CZ2 3.82Å; K327-W332 HydrophobicContact CG-CD2 4.32Å; K327-W332 HydrophobicContact CG-CH2 4.45Å; K327-W332 HydrophobicContact CG-CZ2 3.89Å
328S93.1Very high93.5Very high7 Ų737.4 Ų37.45%0.04918%0.178CC..EExtended strand (participates in β ladder)trans-135.4115.8172.7-1770000109.2Y37 E330 L331Y37-S328 WeakPolarHBondContact OH-CB 3.36Å; Y37-S328 PolarHBondContact OH-OG 3.45Å; S328-E330 PolarHBondContact O-N 2.83Å; S328-L331 PolarHBondContact N-O 2.89Å; S328-L331 WeakPolarHBondContact O-CB 3.38Å; S328-L331 PolarHBondContact O-N 3.35Å
329H89.8Confident94.4Very high39 Ų3934.3 Ų34.318%0.18116%0.161CC..THydrogen-bonded Turntrans4656.1-176.9-52.690.5000113.2L31 L32 L331L31-H329 HydrophobicContact CB-CB 4.23Å; L31-H329 PolarHBondContact O-CE1 3.45Å; L31-H329 PolarHBondContact O-ND1 2.89Å; L31-H329 PolarHBondContact O-NE2 2.94Å; L32-H329 HydrophobicContact CD2-CB 3.67Å; L32-H329 WeakPolarHBondContact CD2-ND1 3.48Å; H329-L331 PolarHBondContact O-N 3.43Å
330E89.2Confident95.2Very high119 Ų11925.6 Ų25.656%0.55613%0.13SC*.THydrogen-bonded Turntrans64.3-4.8-177.1-56.7-52.7114.500117.1K327 S328 R345K327-E330 WeakPolarHBondContact CE-OE1 3.14Å; K327-E330 WeakPolarHBondContact CE-OE2 3.07Å; K327-E330 IonicContact NZ-OE1 3.56Å; K327-E330 PolarHBondContact NZ-OE1 3.47Å; K327-E330 IonicContact NZ-OE2 3.4Å; K327-E330 PolarHBondContact NZ-OE2 2.81Å; S328-E330 PolarHBondContact O-N 2.83Å; E330-R345 IonicContact OE2-NH1 3.72Å
331L93.7Very high95.5Very high45 Ų4527.1 Ų27.124%0.23613%0.132CC..EExtended strand (participates in β ladder)trans-94.5148173-62.3172.8000110.7D29 L32 K327 S328 H329 F333D29-L331 WeakPolarHBondContact OD2-CD1 3.22Å; L32-L331 HydrophobicContact CD1-CD1 3.78Å; L32-L331 HydrophobicContact CD2-CD1 4.42Å; L32-L331 HydrophobicContact CG-CD1 4.4Å; K327-L331 CarbonylContact C-O 3Å; K327-L331 WeakPolarHBondContact CA-O 3.47Å; S328-L331 PolarHBondContact N-O 2.89Å; S328-L331 WeakPolarHBondContact O-CB 3.38Å; S328-L331 PolarHBondContact O-N 3.35Å; H329-L331 PolarHBondContact O-N 3.43Å; L331-F333 HydrophobicContact CB-CE2 3.77Å; L331-F333 HydrophobicContact CB-CZ 4.15Å
332W96.1Very high95.6Very high2 Ų227.7 Ų27.71%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-111.2139.6-178.6-74.687.6000111.1M286 L306 L325 V326 K327 I343 I348M286-W332 HydrophobicContact SD-CH2 4.4Å; M286-W332 HydrophobicContact SD-CZ2 3.63Å; L306-W332 HydrophobicContact CB-CH2 4.45Å; L306-W332 HydrophobicContact CD2-CH2 3.74Å; L306-W332 HydrophobicContact CD2-CZ2 4.31Å; L306-W332 HydrophobicContact CG-CH2 3.91Å; L325-W332 HydrophobicContact CB-CE3 4.13Å; L325-W332 HydrophobicContact CB-CZ3 4.16Å; V326-W332 CarbonylContact O-C 3.48Å; V326-W332 WeakPolarHBondContact O-CA 3.45Å; K327-W332 HydrophobicContact CB-CD2 4.08Å; K327-W332 HydrophobicContact CB-CE3 4.13Å; K327-W332 HydrophobicContact CB-CH2 3.78Å; K327-W332 HydrophobicContact CB-CZ2 3.72Å; K327-W332 HydrophobicContact CB-CZ3 3.98Å; K327-W332 HydrophobicContact CD-CZ2 3.82Å; K327-W332 HydrophobicContact CG-CD2 4.32Å; K327-W332 HydrophobicContact CG-CH2 4.45Å; K327-W332 HydrophobicContact CG-CZ2 3.89Å; W332-I343 HydrophobicContact CB-CD1 4.28Å; W332-I343 HydrophobicContact CB-CG1 3.69Å; W332-I343 PolarHBondContact O-N 2.63Å; W332-I348 HydrophobicContact CD2-CD1 3.42Å; W332-I348 VanDerWaalsContact CD2-CD1 3.42Å; W332-I348 HydrophobicContact CD2-CG1 4.28Å; W332-I348 HydrophobicContact CE3-CD1 3.97Å; W332-I348 HydrophobicContact CG-CD1 3.73Å; W332-I348 HydrophobicContact CG-CG1 4.47Å; W332-I348 HydrophobicContact CH2-CD1 4.24Å; W332-I348 HydrophobicContact CZ2-CD1 3.72Å; W332-I348 HydrophobicContact CZ3-CD1 4.35Å
333F96.7Very high95.4Very high0 Ų028.4 Ų28.40%014%0.138CC..EExtended strand (participates in β ladder)trans-128.9135.2-178.4-61.9-91.4000109.4L22 I26 L32 Y37 L325 V326 L331 F335 E341 K342L22-F333 HydrophobicContact CD1-CD1 4.3Å; L22-F333 HydrophobicContact CD1-CE1 4.1Å; I26-F333 HydrophobicContact CG2-CE1 3.83Å; I26-F333 HydrophobicContact CG2-CZ 4.09Å; L32-F333 HydrophobicContact CD1-CZ 3.96Å; Y37-F333 AromaticContact CD1-CD1 3.95Å; Y37-F333 HydrophobicContact CD1-CD1 3.95Å; Y37-F333 HydrophobicContact CD1-CD2 4.22Å; Y37-F333 HydrophobicContact CD1-CE1 4.07Å; Y37-F333 HydrophobicContact CD1-CE2 4.35Å; Y37-F333 HydrophobicContact CD1-CG 4.02Å; Y37-F333 HydrophobicContact CD1-CZ 4.27Å; Y37-F333 HydrophobicContact CE1-CD1 4.07Å; Y37-F333 AromaticContact CE1-CD2 3.66Å; Y37-F333 HydrophobicContact CE1-CD2 3.66Å; Y37-F333 AromaticContact CE1-CE1 3.92Å; Y37-F333 HydrophobicContact CE1-CE1 3.92Å; Y37-F333 AromaticContact CE1-CE2 3.51Å; Y37-F333 HydrophobicContact CE1-CE2 3.51Å; Y37-F333 AromaticContact CE1-CG 3.94Å; Y37-F333 HydrophobicContact CE1-CG 3.94Å; Y37-F333 AromaticContact CE1-CZ 3.64Å; Y37-F333 HydrophobicContact CE1-CZ 3.64Å; Y37-F333 HydrophobicContact CE2-CZ 4.43Å; Y37-F333 AromaticContact CZ-CE2 3.88Å; Y37-F333 AromaticContact CZ-CZ 3.74Å; L325-F333 CarbonylContact C-O 3.32Å; L325-F333 VanDerWaalsContact CA-O 3.3Å; L325-F333 WeakPolarHBondContact CA-O 3.37Å; V326-F333 PolarHBondContact N-O 3.37Å; V326-F333 PolarHBondContact O-N 3.21Å; L331-F333 HydrophobicContact CB-CE2 3.77Å; L331-F333 HydrophobicContact CB-CZ 4.15Å; F333-F335 HydrophobicContact CB-CD2 4.31Å; F333-F335 HydrophobicContact CB-CE2 3.7Å; F333-F335 HydrophobicContact CB-CZ 4.44Å; F333-E341 CarbonylContact C-O 3.59Å; F333-E341 VanDerWaalsContact CA-O 3.23Å; F333-E341 WeakPolarHBondContact CA-O 3.17Å; F333-K342 HydrophobicContact CD1-CB 4.33Å; F333-K342 HydrophobicContact CE1-CB 4.2Å; F333-K342 HydrophobicContact CE1-CG 4.37Å
334L97.4Very high95.2Very high9 Ų933.7 Ų33.75%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-99.1123.5171.1171.165.1000108.6L13 V323 L325 V340 E341 I343L13-L334 HydrophobicContact CD2-CD2 3.43Å; L13-L334 VanDerWaalsContact CD2-CD2 3.43Å; V323-L334 HydrophobicContact CB-CD1 3.87Å; V323-L334 HydrophobicContact CG2-CD1 3.72Å; L325-L334 HydrophobicContact CD2-CB 4.14Å; L325-L334 HydrophobicContact CD2-CD1 3.51Å; L325-L334 HydrophobicContact CD2-CG 4.39Å; L334-V340 WeakPolarHBondContact O-CA 3.45Å; L334-E341 PolarHBondContact N-O 3.36Å; L334-E341 PolarHBondContact O-N 2.88Å; L334-I343 HydrophobicContact CB-CD1 4.46Å; L334-I343 HydrophobicContact CB-CG2 3.82Å
335F97.9Very high94.8Very high3 Ų339.3 Ų39.31%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-105.7110.3172.9-69-98000108.7Y37 Q54 F58 V323 T324 V326 F333 V340Y37-F335 HydrophobicContact CD1-CZ 4.12Å; Q54-F335 HydrophobicContact CB-CB 4.47Å; Q54-F335 HydrophobicContact CB-CG 4.48Å; Q54-F335 HydrophobicContact CG-CB 4.15Å; Q54-F335 HydrophobicContact CG-CD1 4.18Å; Q54-F335 HydrophobicContact CG-CG 4.26Å; Q54-F335 VanDerWaalsContact NE2-CD1 3.25Å; F58-F335 HydrophobicContact CD2-CE2 4.47Å; F58-F335 HydrophobicContact CD2-CZ 4.39Å; F58-F335 HydrophobicContact CE2-CE1 4.07Å; F58-F335 AromaticContact CE2-CE2 3.81Å; F58-F335 HydrophobicContact CE2-CE2 3.81Å; F58-F335 AromaticContact CE2-CZ 3.36Å; F58-F335 HydrophobicContact CE2-CZ 3.36Å; F58-F335 HydrophobicContact CZ-CE2 4.26Å; F58-F335 AromaticContact CZ-CZ 3.64Å; F58-F335 HydrophobicContact CZ-CZ 3.64Å; V323-F335 WeakPolarHBondContact CA-O 3.41Å; V323-F335 WeakPolarHBondContact CB-O 3.3Å; T324-F335 PolarHBondContact N-O 2.8Å; T324-F335 PolarHBondContact O-N 3.46Å; V326-F335 HydrophobicContact CB-CD2 4.25Å; V326-F335 HydrophobicContact CB-CE2 3.88Å; V326-F335 HydrophobicContact CG2-CD2 3.89Å; V326-F335 HydrophobicContact CG2-CE2 3.85Å; F333-F335 HydrophobicContact CB-CD2 4.31Å; F333-F335 HydrophobicContact CB-CE2 3.7Å; F333-F335 HydrophobicContact CB-CZ 4.44Å; F335-V340 HydrophobicContact CD1-CB 4.35Å; F335-V340 HydrophobicContact CD1-CG1 3.94Å; F335-V340 HydrophobicContact CD1-CG2 3.55Å; F335-V340 HydrophobicContact CD2-CG1 4.47Å; F335-V340 HydrophobicContact CE1-CB 4.31Å; F335-V340 HydrophobicContact CE1-CG1 3.65Å; F335-V340 HydrophobicContact CE1-CG2 3.61Å; F335-V340 HydrophobicContact CE2-CG1 4.19Å; F335-V340 HydrophobicContact CG-CG1 4.35Å; F335-V340 HydrophobicContact CG-CG2 4.47Å; F335-V340 HydrophobicContact CZ-CG1 3.78Å
336D96.8Very high94.4Very high33 Ų3343.2 Ų43.218%0.17621%0.208CC..EExtended strand (participates in β ladder)trans-113.388.5172.2-171.4-17.9000107.9H321 V323 E338 L339H321-D336 IonicContact CD2-OD1 3.86Å; H321-D336 IonicContact CE1-OD1 3.9Å; H321-D336 PolarHBondContact CE1-OD1 3.33Å; H321-D336 IonicContact NE2-OD1 3.98Å; H321-D336 PolarHBondContact NE2-OD1 2.92Å; H321-D336 IonicContact NE2-OD2 2.73Å; V323-D336 HydrophobicContact CG1-CB 3.88Å; D336-E338 PolarHBondContact O-N 2.83Å; D336-L339 HydrophobicContact CB-CB 4.43Å; D336-L339 PolarHBondContact N-O 3.07Å; D336-L339 WeakPolarHBondContact O-CB 3.46Å; D336-L339 PolarHBondContact O-N 3.33Å
337D96.8Very high94.1Very high19 Ų1944.6 Ų44.610%0.10222%0.215CC..THydrogen-bonded Turntrans48.8-112-170.4-70.5-42.9000111.7G39 L40 N42 C47 N50 H321 L339G39-D337 CarbonylContact C-O 3.51Å; G39-D337 VanDerWaalsContact C-O 3.32Å; G39-D337 WeakPolarHBondContact CA-O 3.47Å; L40-D337 PolarHBondContact N-O 3.03Å; L40-D337 CarbonylContact O-C 3.6Å; L40-D337 VanDerWaalsContact O-CA 3.27Å; L40-D337 WeakPolarHBondContact O-CA 3.31Å; L40-D337 WeakPolarHBondContact O-CB 3.41Å; N42-D337 HydrophobicContact CB-CB 4.19Å; N42-D337 WeakPolarHBondContact CB-OD2 3.34Å; N42-D337 PolarHBondContact ND2-OD2 2.85Å; C47-D337 WeakPolarHBondContact CA-OD1 3.44Å; C47-D337 WeakPolarHBondContact CB-OD1 3.36Å; N50-D337 PolarHBondContact ND2-OD1 3.21Å; H321-D337 IonicContact CE1-OD2 2.76Å; H321-D337 PolarHBondContact CE1-OD2 3Å; D337-L339 VanDerWaalsContact C-N 3.34Å
338E95.5Very high94Very high71 Ų7142.8 Ų42.833%0.33221%0.207SC..THydrogen-bonded Turntrans-79.4-12-179.760.1-137.5-137.900114.7L40 V41 N42 Q101 D336L40-E338 PolarHBondContact O-N 3.27Å; V41-E338 WeakPolarHBondContact CA-OE2 3.2Å; V41-E338 HydrophobicContact CG2-CB 4.29Å; N42-E338 PolarHBondContact N-OE2 3.39Å; Q101-E338 HydrophobicContact CG-CB 4.03Å; Q101-E338 WeakPolarHBondContact CG-O 3.44Å; Q101-E338 PolarHBondContact NE2-O 2.58Å; D336-E338 PolarHBondContact O-N 2.83Å
339L95.7Very high94Very high65 Ų6548.2 Ų48.234%0.3423%0.232SC..EExtended strand (participates in β ladder)trans-92.8134.6178.7-57.6178.8000109.9D336 D337D336-L339 HydrophobicContact CB-CB 4.43Å; D336-L339 PolarHBondContact N-O 3.07Å; D336-L339 WeakPolarHBondContact O-CB 3.46Å; D336-L339 PolarHBondContact O-N 3.33Å; D337-L339 VanDerWaalsContact C-N 3.34Å
340V96.2Very high94Very high12 Ų1249.4 Ų49.47%0.07324%0.24CC..EExtended strand (participates in β ladder)trans-129.4129.7176.1-167.80000108.6L22 L334 F335L22-V340 HydrophobicContact CD2-CB 3.69Å; L22-V340 HydrophobicContact CD2-CG1 3.57Å; L334-V340 WeakPolarHBondContact O-CA 3.45Å; F335-V340 HydrophobicContact CD1-CB 4.35Å; F335-V340 HydrophobicContact CD1-CG1 3.94Å; F335-V340 HydrophobicContact CD1-CG2 3.55Å; F335-V340 HydrophobicContact CD2-CG1 4.47Å; F335-V340 HydrophobicContact CE1-CB 4.31Å; F335-V340 HydrophobicContact CE1-CG1 3.65Å; F335-V340 HydrophobicContact CE1-CG2 3.61Å; F335-V340 HydrophobicContact CE2-CG1 4.19Å; F335-V340 HydrophobicContact CG-CG1 4.35Å; F335-V340 HydrophobicContact CG-CG2 4.47Å; F335-V340 HydrophobicContact CZ-CG1 3.78Å
341E93.5Very high94.3Very high49 Ų4944.5 Ų44.523%0.22922%0.217CC..EExtended strand (participates in β ladder)trans-131.4140.9-178.7172.4170.2-168.600110.5L17 F333 L334 I343L17-E341 HydrophobicContact CD1-CB 3.96Å; L17-E341 HydrophobicContact CD1-CG 3.5Å; L17-E341 VanDerWaalsContact CD1-CG 3.5Å; F333-E341 CarbonylContact C-O 3.59Å; F333-E341 VanDerWaalsContact CA-O 3.23Å; F333-E341 WeakPolarHBondContact CA-O 3.17Å; L334-E341 PolarHBondContact N-O 3.36Å; L334-E341 PolarHBondContact O-N 2.88Å; E341-I343 HydrophobicContact CG-CG2 4.1Å
342K94.2Very high94.3Very high58 Ų5843 Ų4325%0.25221%0.208SC..EExtended strand (participates in β ladder)trans-80.5123.7169.1-177.6175.9179.21710108.4L22 E25 I26 D29 F333L22-K342 HydrophobicContact CD1-CB 3.79Å; E25-K342 HydrophobicContact CB-CD 4.47Å; I26-K342 HydrophobicContact CG2-CD 4.45Å; D29-K342 IonicContact OD2-NZ 2.85Å; D29-K342 PolarHBondContact OD2-NZ 3.43Å; F333-K342 HydrophobicContact CD1-CB 4.33Å; F333-K342 HydrophobicContact CE1-CB 4.2Å; F333-K342 HydrophobicContact CE1-CG 4.37Å
343I94.3Very high94Very high24 Ų2443.8 Ų43.812%0.12322%0.216CC..EExtended strand (participates in β ladder)trans-114.5150.4178.664.2165.9000111L325 W332 L334 E341 F351L325-I343 HydrophobicContact CD2-CD1 3.73Å; W332-I343 HydrophobicContact CB-CD1 4.28Å; W332-I343 HydrophobicContact CB-CG1 3.69Å; W332-I343 PolarHBondContact O-N 2.63Å; L334-I343 HydrophobicContact CB-CD1 4.46Å; L334-I343 HydrophobicContact CB-CG2 3.82Å; E341-I343 HydrophobicContact CG-CG2 4.1Å; I343-F351 HydrophobicContact CD1-CE2 4.46Å
344H93Very high93.5Very high114 Ų11444.9 Ų44.953%0.52822%0.224SC..  trans-78.2146.6176-169.1-100.7000110.8T346 N347H344-T346 WeakPolarHBondContact ND1-CG2 3.19Å; H344-T346 PolarHBondContact ND1-N 3.04Å; H344-T346 PolarHBondContact ND1-OG1 3.23Å; H344-T346 PolarHBondContact O-N 2.78Å; H344-T346 VanDerWaalsContact O-N 3.11Å; H344-N347 WeakPolarHBondContact O-CB 3.24Å; H344-N347 PolarHBondContact O-N 2.7Å
345R89.7Confident92.3Very high117 Ų11747.7 Ų47.744%0.44224%0.244SC..G310 helixtrans-54.3-34.3-179.1-179.3178.6175.9140.4-6.9113.4E330 N347 I348E330-R345 IonicContact OE2-NH1 3.72Å; R345-N347 PolarHBondContact O-N 3.16Å; R345-I348 HydrophobicContact CG-CD1 4.21Å; R345-I348 WeakPolarHBondContact O-CB 3.4Å; R345-I348 WeakPolarHBondContact O-CD1 3.25Å; R345-I348 VanDerWaalsContact O-CG1 3.32Å; R345-I348 WeakPolarHBondContact O-CG1 3.46Å; R345-I348 PolarHBondContact O-N 3.34Å
346T90.1Very high90.8Very high83 Ų8351.5 Ų51.551%0.50927%0.268SS..G310 helixtrans-65.9-26178.356.10000112.9H344 I348 E349H344-T346 WeakPolarHBondContact ND1-CG2 3.19Å; H344-T346 PolarHBondContact ND1-N 3.04Å; H344-T346 PolarHBondContact ND1-OG1 3.23Å; H344-T346 PolarHBondContact O-N 2.78Å; H344-T346 VanDerWaalsContact O-N 3.11Å; T346-I348 PolarHBondContact O-N 3.09Å; T346-E349 PolarHBondContact O-N 2.7Å
347N91.5Very high88.9Confident29 Ų2959.9 Ų59.916%0.15531%0.306CS..G310 helixtrans-73.3-9.6178.6-72.184.6000112.8H344 R345 E349 D350 F351H344-N347 WeakPolarHBondContact O-CB 3.24Å; H344-N347 PolarHBondContact O-N 2.7Å; R345-N347 PolarHBondContact O-N 3.16Å; N347-E349 PolarHBondContact O-N 3.4Å; N347-D350 PolarHBondContact ND2-OD2 3.05Å; N347-D350 VanDerWaalsContact O-CB 3.27Å; N347-D350 WeakPolarHBondContact O-CB 3.47Å; N347-D350 PolarHBondContact O-N 3.41Å; N347-D350 VanDerWaalsContact O-N 3.16Å; N347-F351 WeakPolarHBondContact O-CD2 3.11Å; N347-F351 WeakPolarHBondContact O-CE2 3.28Å
348I93.1Very high86.9Confident0 Ų064.9 Ų64.90%034%0.337CS..G310 helixtrans-65.7-29.6176.6-57.5166.2000111.1F284 M286 L325 W332 R345 T346 D350 F351F284-I348 HydrophobicContact CE2-CG2 3.54Å; F284-I348 HydrophobicContact CZ-CG2 3.79Å; M286-I348 HydrophobicContact CE-CB 3.96Å; M286-I348 HydrophobicContact CE-CD1 3.49Å; M286-I348 VanDerWaalsContact CE-CD1 3.49Å; M286-I348 HydrophobicContact CE-CG1 4.34Å; M286-I348 HydrophobicContact CE-CG2 3.69Å; M286-I348 HydrophobicContact SD-CD1 3.99Å; L325-I348 HydrophobicContact CD1-CG2 4.33Å; W332-I348 HydrophobicContact CD2-CD1 3.42Å; W332-I348 VanDerWaalsContact CD2-CD1 3.42Å; W332-I348 HydrophobicContact CD2-CG1 4.28Å; W332-I348 HydrophobicContact CE3-CD1 3.97Å; W332-I348 HydrophobicContact CG-CD1 3.73Å; W332-I348 HydrophobicContact CG-CG1 4.47Å; W332-I348 HydrophobicContact CH2-CD1 4.24Å; W332-I348 HydrophobicContact CZ2-CD1 3.72Å; W332-I348 HydrophobicContact CZ3-CD1 4.35Å; R345-I348 HydrophobicContact CG-CD1 4.21Å; R345-I348 WeakPolarHBondContact O-CB 3.4Å; R345-I348 WeakPolarHBondContact O-CD1 3.25Å; R345-I348 VanDerWaalsContact O-CG1 3.32Å; R345-I348 WeakPolarHBondContact O-CG1 3.46Å; R345-I348 PolarHBondContact O-N 3.34Å; T346-I348 PolarHBondContact O-N 3.09Å; I348-D350 PolarHBondContact O-N 2.72Å; I348-F351 WeakPolarHBondContact O-CB 3.25Å; I348-F351 PolarHBondContact O-N 2.67Å; I348-F351 VanDerWaalsContact O-N 3.08Å
349E91.8Very high84.9Confident122 Ų12264.5 Ų64.557%0.5734%0.342SS*.G310 helixtrans-63.8-24.9176.8-60-175.3178.700112.6T346 N347 F351 F352T346-E349 PolarHBondContact O-N 2.7Å; N347-E349 PolarHBondContact O-N 3.4Å; E349-F351 PolarHBondContact O-N 3.45Å; E349-F351 VanDerWaalsContact O-N 3.12Å; E349-F352 HydrophobicContact CB-CD2 4.26Å; E349-F352 HydrophobicContact CB-CE2 4.11Å; E349-F352 HydrophobicContact CB-CZ 4.38Å; E349-F352 HydrophobicContact CG-CD2 4.5Å; E349-F352 HydrophobicContact CG-CE2 3.85Å; E349-F352 HydrophobicContact CG-CZ 3.94Å; E349-F352 WeakPolarHBondContact O-CB 3.36Å; E349-F352 WeakPolarHBondContact O-CG 3.4Å; E349-F352 PolarHBondContact O-N 3.11Å; E349-F352 VanDerWaalsContact O-N 3.09Å
350D91.8Very high83Confident64 Ų6470.1 Ų70.134%0.34236%0.364SS..G310 helixtrans-62.3-19.5175.7-61-32.2000111.7N347 I348N347-D350 PolarHBondContact ND2-OD2 3.05Å; N347-D350 VanDerWaalsContact O-CB 3.27Å; N347-D350 WeakPolarHBondContact O-CB 3.47Å; N347-D350 PolarHBondContact O-N 3.41Å; N347-D350 VanDerWaalsContact O-N 3.16Å; I348-D350 PolarHBondContact O-N 2.72Å
351F94.2Very high81.6Confident16 Ų1670.8 Ų70.87%0.0737%0.37CS..G310 helixtrans-98.32.7-179.8-56.6-80.7000113.8V311 L325 I343 N347 I348 E349 G353 Y363 A365V311-F351 HydrophobicContact CB-CD1 4.3Å; V311-F351 HydrophobicContact CG1-CD1 3.59Å; V311-F351 HydrophobicContact CG1-CE1 4.13Å; V311-F351 HydrophobicContact CG2-CB 4.32Å; V311-F351 HydrophobicContact CG2-CD1 3.77Å; V311-F351 HydrophobicContact CG2-CE1 4.34Å; V311-F351 HydrophobicContact CG2-CG 4.16Å; L325-F351 HydrophobicContact CD1-CB 4.42Å; L325-F351 HydrophobicContact CD1-CD2 3.49Å; L325-F351 VanDerWaalsContact CD1-CD2 3.49Å; L325-F351 HydrophobicContact CD1-CE2 3.75Å; L325-F351 HydrophobicContact CD1-CG 3.9Å; L325-F351 HydrophobicContact CD1-CZ 4.38Å; L325-F351 HydrophobicContact CD2-CD2 4.42Å; L325-F351 HydrophobicContact CD2-CE1 4.43Å; L325-F351 HydrophobicContact CD2-CE2 3.85Å; L325-F351 HydrophobicContact CD2-CZ 3.84Å; L325-F351 HydrophobicContact CG-CE2 4.43Å; I343-F351 HydrophobicContact CD1-CE2 4.46Å; N347-F351 WeakPolarHBondContact O-CD2 3.11Å; N347-F351 WeakPolarHBondContact O-CE2 3.28Å; I348-F351 WeakPolarHBondContact O-CB 3.25Å; I348-F351 PolarHBondContact O-N 2.67Å; I348-F351 VanDerWaalsContact O-N 3.08Å; E349-F351 PolarHBondContact O-N 3.45Å; E349-F351 VanDerWaalsContact O-N 3.12Å; F351-G353 PolarHBondContact O-N 3.32Å; F351-Y363 HydrophobicContact CE1-CD1 4.23Å; F351-Y363 HydrophobicContact CE1-CG 4.39Å; F351-A365 PolarHBondContact O-N 3.45Å
352F94.6Very high81.2Confident14 Ų1470.8 Ų70.86%0.06138%0.375CS..SBendtrans-65.3-22.3175.7-70.2-1000111.9R281 V282 A283 F284 E349R281-F352 CarbonylContact C-O 3.6Å; R281-F352 WeakPolarHBondContact CA-O 3.44Å; R281-F352 HydrophobicContact CG-CB 3.94Å; V282-F352 PolarHBondContact N-O 3Å; A283-F352 HydrophobicContact CB-CD2 3.96Å; A283-F352 HydrophobicContact CB-CE2 3.86Å; A283-F352 HydrophobicContact CB-CZ 4.46Å; F284-F352 AromaticContact CD1-CD1 3.68Å; F284-F352 HydrophobicContact CD1-CD1 3.68Å; F284-F352 AromaticContact CD1-CE1 3.78Å; F284-F352 HydrophobicContact CD1-CE1 3.78Å; F284-F352 AromaticContact CD2-CE1 3.99Å; F284-F352 HydrophobicContact CD2-CE1 3.99Å; F284-F352 AromaticContact CE1-CD1 3.28Å; F284-F352 HydrophobicContact CE1-CD1 3.28Å; F284-F352 AromaticContact CE1-CE1 3.58Å; F284-F352 HydrophobicContact CE1-CE1 3.58Å; F284-F352 HydrophobicContact CE1-CG 4.44Å; F284-F352 HydrophobicContact CE2-CD1 4.32Å; F284-F352 AromaticContact CE2-CE1 3.8Å; F284-F352 HydrophobicContact CE2-CE1 3.8Å; F284-F352 HydrophobicContact CG-CD1 4.35Å; F284-F352 AromaticContact CG-CE1 3.97Å; F284-F352 HydrophobicContact CG-CE1 3.97Å; F284-F352 AromaticContact CZ-CD1 3.64Å; F284-F352 HydrophobicContact CZ-CD1 3.64Å; F284-F352 AromaticContact CZ-CE1 3.6Å; F284-F352 HydrophobicContact CZ-CE1 3.6Å; E349-F352 HydrophobicContact CB-CD2 4.26Å; E349-F352 HydrophobicContact CB-CE2 4.11Å; E349-F352 HydrophobicContact CB-CZ 4.38Å; E349-F352 HydrophobicContact CG-CD2 4.5Å; E349-F352 HydrophobicContact CG-CE2 3.85Å; E349-F352 HydrophobicContact CG-CZ 3.94Å; E349-F352 WeakPolarHBondContact O-CB 3.36Å; E349-F352 WeakPolarHBondContact O-CG 3.4Å; E349-F352 PolarHBondContact O-N 3.11Å; E349-F352 VanDerWaalsContact O-N 3.09Å
353G90Very high81.1Confident17 Ų1770.3 Ų70.318%0.17537%0.372CS..  trans101.8-169.2-172.600000111.5F351F351-G353 PolarHBondContact O-N 3.32Å
354S84.5Confident81.1Confident24 Ų2469.2 Ų69.217%0.16837%0.366CS..BIsolated β-bridgetrans-105.3137.5-172.6-1620000112.8S279 R281 T356 S359S279-S354 PolarHBondContact O-N 2.91Å; R281-S354 PolarHBondContact N-O 3.41Å; S354-T356 WeakPolarHBondContact CB-O 3.36Å; S354-T356 PolarHBondContact OG-N 3.38Å; S354-T356 VanDerWaalsContact OG-N 3.15Å; S354-T356 PolarHBondContact OG-O 2.9Å; S354-S359 WeakPolarHBondContact OG-CB 3.17Å
355S73.5Confident81.3Confident67 Ų6763.8 Ų63.847%0.46934%0.341SS..SBendtrans-85.5-14.7165.5-63.90000112.6N213 R281N213-S355 WeakPolarHBondContact OD1-CB 3.17Å; N213-S355 PolarHBondContact OD1-OG 2.92Å; R281-S355 WeakPolarHBondContact CD-OG 3.35Å
356T65.5Low81.7Confident83 Ų8358.3 Ų58.351%0.50932%0.32SS..SBendtrans-132.6143.1-176.652.70000110.5S354 T358 S359S354-T356 WeakPolarHBondContact CB-O 3.36Å; S354-T356 PolarHBondContact OG-N 3.38Å; S354-T356 VanDerWaalsContact OG-N 3.15Å; S354-T356 PolarHBondContact OG-O 2.9Å; T356-T358 WeakPolarHBondContact CB-OG1 3.35Å; T356-T358 PolarHBondContact O-N 3.14Å; T356-T358 PolarHBondContact OG1-OG1 3.25Å; T356-S359 PolarHBondContact O-N 3.49Å
357E58.2Low82.1Confident210 Ų21054.4 Ų54.498%0.98130%0.296SS*.THydrogen-bonded Turntrans-60.7-13.1176.4-65.2-172.1159.500113.3
358T54.3Low82.4Confident123 Ų12353 Ų5376%0.75529%0.289SS*.THydrogen-bonded Turntrans-86.4-8.1-176.632.80000115.7T356 K360T356-T358 WeakPolarHBondContact CB-OG1 3.35Å; T356-T358 PolarHBondContact O-N 3.14Å; T356-T358 PolarHBondContact OG1-OG1 3.25Å; T358-K360 PolarHBondContact O-N 3.13Å
359S54.2Low82.7Confident63 Ų6353 Ų5344%0.44129%0.289SS..  trans-68.7121.3177.8-170.50000110.9S354 T356 S361S354-S359 WeakPolarHBondContact OG-CB 3.17Å; T356-S359 PolarHBondContact O-N 3.49Å; S359-S361 PolarHBondContact O-N 2.91Å
360K54Low83Confident184 Ų18447.2 Ų47.280%0.826%0.262SS*.SBendtrans-68-16.6179.3-69.2-176.7178.3179.50113.6T358 S362T358-K360 PolarHBondContact O-N 3.13Å; K360-S362 PolarHBondContact O-N 2.96Å
361S68.2Low83.2Confident26 Ų2644.8 Ų44.818%0.18225%0.249CC..  trans-86.4110.7-179-172.20000110.4S359 Y363S359-S361 PolarHBondContact O-N 2.91Å; S361-Y363 PolarHBondContact O-N 3.36Å; S361-Y363 WeakPolarHBondContact OG-CD2 3.37Å
362S84.9Confident83.2Confident48 Ų4844.8 Ų44.834%0.33625%0.249SC..  trans-80.52.6173.751.40000113.8K277 S313 G314 K360K277-S362 PolarHBondContact NZ-O 3.17Å; S313-S362 WeakPolarHBondContact CA-O 3.41Å; S313-S362 PolarHBondContact OG-OG 3.03Å; G314-S362 PolarHBondContact N-OG 3.33Å; K360-S362 PolarHBondContact O-N 2.96Å
363Y92.2Very high83.1Confident48 Ų4845 Ų4519%0.18825%0.254CS..  trans-75.4122.7-178.2-70.4-96.9000110.7V311 S313 V323 F351 S361V311-Y363 HydrophobicContact CG1-CD1 3.8Å; V311-Y363 HydrophobicContact CG1-CG 4.35Å; S313-Y363 WeakPolarHBondContact OG-CE2 3.2Å; V323-Y363 HydrophobicContact CG1-CE1 4.34Å; V323-Y363 HydrophobicContact CG2-CD1 4.11Å; V323-Y363 HydrophobicContact CG2-CE1 4.02Å; F351-Y363 HydrophobicContact CE1-CD1 4.23Å; F351-Y363 HydrophobicContact CE1-CG 4.39Å; S361-Y363 PolarHBondContact O-N 3.36Å; S361-Y363 WeakPolarHBondContact OG-CD2 3.37Å
364T95Very high83Confident2 Ų251.4 Ų51.41%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-137.2131.4178.361.40000109.3K277 H312 Y366K277-T364 WeakPolarHBondContact CE-OG1 3.37Å; K277-T364 PolarHBondContact NZ-OG1 3.31Å; H312-T364 PolarHBondContact N-O 2.85Å; H312-T364 PolarHBondContact O-N 2.99Å; H312-T364 PolarHBondContact O-OG1 2.89Å; T364-Y366 PolarHBondContact O-N 3.06Å
365A96.9Very high83.1Confident0 Ų051.9 Ų51.90%028%0.279CS..EExtended strand (participates in β ladder)trans-53.2135.6171.100000110.6R265 F284 V309 F351 L368R265-A365 PolarHBondContact NE-O 2.81Å; R265-A365 PolarHBondContact NH2-O 2.82Å; F284-A365 HydrophobicContact CD1-CB 3.99Å; F284-A365 HydrophobicContact CE1-CB 3.26Å; F284-A365 HydrophobicContact CZ-CB 3.84Å; V309-A365 HydrophobicContact CG1-CB 3.57Å; F351-A365 PolarHBondContact O-N 3.45Å; A365-L368 HydrophobicContact CB-CD2 4.1Å
366Y97.2Very high83.5Confident1 Ų149.5 Ų49.50%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-123.7-45.8-169.8-175-121.7000112.2D125 A126 H127 H262 L263 F266 V310 H312 Y322 T364D125-Y366 VanDerWaalsContact CG-OH 3.27Å; D125-Y366 WeakPolarHBondContact OD1-CE1 3.38Å; D125-Y366 PolarHBondContact OD1-OH 3.28Å; D125-Y366 PolarHBondContact OD2-OH 3.35Å; A126-Y366 HydrophobicContact CB-CD1 4.43Å; A126-Y366 HydrophobicContact CB-CE1 4.36Å; H127-Y366 HydrophobicContact CB-CE1 3.92Å; H262-Y366 AromaticContact CD2-CE2 3.69Å; H262-Y366 AromaticContact CD2-CZ 3.71Å; H262-Y366 AromaticContact NE2-CE2 3.38Å; H262-Y366 WeakPolarHBondContact NE2-CE2 3.16Å; H262-Y366 AromaticContact NE2-CZ 3.39Å; H262-Y366 PolarHBondContact NE2-OH 2.94Å; H262-Y366 VanDerWaalsContact NE2-OH 3.1Å; L263-Y366 PolarHBondContact N-O 2.93Å; F266-Y366 HydrophobicContact CD2-CE2 4.05Å; F266-Y366 AromaticContact CE2-CE2 3.77Å; F266-Y366 HydrophobicContact CE2-CE2 3.77Å; F266-Y366 AromaticContact CE2-CZ 3.88Å; V310-Y366 WeakPolarHBondContact O-CA 3.17Å; V310-Y366 WeakPolarHBondContact O-CB 3.23Å; V310-Y366 PolarHBondContact O-N 2.97Å; H312-Y366 HydrophobicContact CB-CG 4.22Å; Y322-Y366 HydrophobicContact CD1-CD1 4.45Å; Y322-Y366 AromaticContact CE1-CD1 3.58Å; Y322-Y366 HydrophobicContact CE1-CD1 3.58Å; Y322-Y366 AromaticContact CE1-CE1 3.92Å; Y322-Y366 HydrophobicContact CE1-CE1 3.92Å; Y322-Y366 HydrophobicContact CE1-CG 4.34Å; T364-Y366 PolarHBondContact O-N 3.06Å
367I98.5Very high84.1Confident1 Ų149 Ų491%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-128.5127.2172.1-46171.8000108.3A126 H127 L130 L261 V309 V310 F369A126-I367 HydrophobicContact CB-CD1 4.39Å; H127-I367 HydrophobicContact CB-CD1 4.08Å; L130-I367 HydrophobicContact CD2-CD1 4.19Å; L130-I367 HydrophobicContact CD2-CG2 4.16Å; L261-I367 CarbonylContact O-C 3.48Å; L261-I367 WeakPolarHBondContact O-CA 3.32Å; V309-I367 CarbonylContact C-O 3.49Å; V309-I367 WeakPolarHBondContact CA-O 3.46Å; V310-I367 HydrophobicContact CB-CB 4.03Å; V310-I367 HydrophobicContact CB-CD1 4.44Å; V310-I367 HydrophobicContact CB-CG1 4.33Å; V310-I367 HydrophobicContact CG2-CB 4.48Å; V310-I367 PolarHBondContact N-O 3.48Å; V310-I367 PolarHBondContact O-N 2.52Å; V310-I367 VanDerWaalsContact O-N 3.09Å; I367-F369 HydrophobicContact CB-CE2 4.05Å; I367-F369 HydrophobicContact CG2-CD2 4.24Å; I367-F369 HydrophobicContact CG2-CE2 3.63Å; I367-F369 HydrophobicContact CG2-CZ 3.97Å
368L98.6Very high84.6Confident0 Ų042 Ų420%024%0.237CC..EExtended strand (participates in β ladder)trans-106126.8178.1-56.5170.1000109.1I216 L261 L263 F284 L306 V309 A365 Y370I216-L368 HydrophobicContact CD1-CD1 3.71Å; I216-L368 HydrophobicContact CG1-CD1 3.78Å; L261-L368 HydrophobicContact CB-CB 4.3Å; L261-L368 HydrophobicContact CD2-CD1 4.27Å; L261-L368 PolarHBondContact N-O 3.47Å; L261-L368 PolarHBondContact O-N 3.02Å; L263-L368 HydrophobicContact CD1-CD1 4.31Å; L263-L368 HydrophobicContact CD2-CD1 4.36Å; F284-L368 HydrophobicContact CB-CD1 3.56Å; F284-L368 HydrophobicContact CB-CD2 4.26Å; F284-L368 HydrophobicContact CD1-CD1 4.27Å; F284-L368 HydrophobicContact CD1-CD2 3.93Å; F284-L368 HydrophobicContact CD2-CD2 3.81Å; F284-L368 HydrophobicContact CE1-CD2 4.18Å; F284-L368 HydrophobicContact CE2-CD2 4.07Å; F284-L368 HydrophobicContact CG-CD1 3.93Å; F284-L368 HydrophobicContact CG-CD2 3.74Å; F284-L368 HydrophobicContact CZ-CD2 4.25Å; L306-L368 HydrophobicContact CD1-CB 4.12Å; L306-L368 HydrophobicContact CD1-CD2 4.17Å; V309-L368 HydrophobicContact CB-CD2 4.3Å; V309-L368 HydrophobicContact CG1-CD2 3.78Å; V309-L368 HydrophobicContact CG2-CD2 3.78Å; A365-L368 HydrophobicContact CB-CD2 4.1Å; L368-Y370 HydrophobicContact CB-CD2 4.02Å; L368-Y370 HydrophobicContact CB-CE2 3.67Å; L368-Y370 HydrophobicContact CD1-CE2 4.06Å; L368-Y370 HydrophobicContact CG-CE2 4.44Å
369F98.6Very high85Confident0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-103.8113.4176.7-67.6-100.2000109A55 L56 L130 L258 A260 M307 A308 V310 I367A55-F369 HydrophobicContact CB-CD2 3.92Å; A55-F369 HydrophobicContact CB-CE2 3.67Å; A55-F369 HydrophobicContact CB-CG 4.46Å; A55-F369 HydrophobicContact CB-CZ 4Å; L56-F369 HydrophobicContact CD2-CE1 4.07Å; L130-F369 HydrophobicContact CD1-CE1 4.35Å; L130-F369 HydrophobicContact CD1-CZ 4.27Å; L130-F369 HydrophobicContact CD2-CE1 4.3Å; L130-F369 HydrophobicContact CD2-CZ 3.92Å; L258-F369 HydrophobicContact CD2-CB 4.48Å; L258-F369 HydrophobicContact CD2-CD1 3.75Å; A260-F369 HydrophobicContact CB-CD1 4.41Å; A260-F369 HydrophobicContact CB-CE1 4.23Å; M307-F369 HydrophobicContact CG-CB 3.96Å; M307-F369 WeakPolarHBondContact CG-O 3.49Å; M307-F369 PolarHBondContact N-O 3.03Å; M307-F369 HydrophobicContact SD-CB 4.43Å; A308-F369 HydrophobicContact CB-CB 4.05Å; A308-F369 HydrophobicContact CB-CD2 4.22Å; A308-F369 HydrophobicContact CB-CG 4.36Å; A308-F369 PolarHBondContact N-O 3.34Å; A308-F369 PolarHBondContact O-N 3.36Å; V310-F369 HydrophobicContact CG2-CE2 3.84Å; I367-F369 HydrophobicContact CB-CE2 4.05Å; I367-F369 HydrophobicContact CG2-CD2 4.24Å; I367-F369 HydrophobicContact CG2-CE2 3.63Å; I367-F369 HydrophobicContact CG2-CZ 3.97Å
370Y97.7Very high85.1Confident0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-111.8123.4-179.3-83.5-75.3000109.5L258 L259 P285 L288 Y304 N305 L306 L368L258-Y370 CarbonylContact C-O 3.48Å; L258-Y370 WeakPolarHBondContact CA-O 3.31Å; L259-Y370 PolarHBondContact N-O 2.79Å; L259-Y370 PolarHBondContact O-N 3.41Å; P285-Y370 WeakPolarHBondContact O-CE1 3.34Å; P285-Y370 PolarHBondContact O-OH 3.3Å; L288-Y370 HydrophobicContact CB-CD1 3.81Å; L288-Y370 HydrophobicContact CB-CE1 3.53Å; L288-Y370 HydrophobicContact CB-CG 4.47Å; L288-Y370 HydrophobicContact CD2-CD1 4.34Å; L288-Y370 HydrophobicContact CD2-CD2 3.98Å; L288-Y370 HydrophobicContact CD2-CE1 4.31Å; L288-Y370 HydrophobicContact CD2-CE2 3.92Å; L288-Y370 HydrophobicContact CD2-CG 4.18Å; Y304-Y370 WeakPolarHBondContact CD1-O 3.36Å; N305-Y370 CarbonylContact O-C 3.59Å; N305-Y370 WeakPolarHBondContact O-CA 3.35Å; L306-Y370 HydrophobicContact CB-CD1 4.08Å; L306-Y370 HydrophobicContact CB-CE1 3.63Å; L306-Y370 HydrophobicContact CD1-CD1 4.25Å; L306-Y370 HydrophobicContact CD1-CD2 4.22Å; L306-Y370 HydrophobicContact CD1-CE1 3.83Å; L306-Y370 HydrophobicContact CD1-CE2 3.82Å; L306-Y370 HydrophobicContact CD1-CG 4.43Å; L306-Y370 HydrophobicContact CG-CE1 4.32Å; L368-Y370 HydrophobicContact CB-CD2 4.02Å; L368-Y370 HydrophobicContact CB-CE2 3.67Å; L368-Y370 HydrophobicContact CD1-CE2 4.06Å; L368-Y370 HydrophobicContact CG-CE2 4.44Å
371L96.8Very high84.7Confident13 Ų1334.5 Ų34.57%0.06821%0.207CC..EExtended strand (participates in β ladder)trans-103.8136.7177.9-179.764000110.2P61 L257 L258 Y304 N305 M307 A373 V375 A376P61-L371 HydrophobicContact CG-CD1 4.17Å; L257-L371 HydrophobicContact CD2-CD1 3.45Å; L257-L371 VanDerWaalsContact CD2-CD1 3.45Å; L257-L371 HydrophobicContact CG-CD1 4.46Å; L258-L371 HydrophobicContact CB-CD1 4.43Å; Y304-L371 CarbonylContact C-O 3.53Å; Y304-L371 WeakPolarHBondContact CA-O 3.44Å; Y304-L371 VanDerWaalsContact CD1-C 3.46Å; N305-L371 PolarHBondContact N-O 2.95Å; N305-L371 PolarHBondContact O-N 3.36Å; M307-L371 HydrophobicContact CG-CB 4.14Å; M307-L371 HydrophobicContact SD-CB 4.18Å; L371-A373 PolarHBondContact O-N 2.98Å; L371-V375 HydrophobicContact CD1-CB 4.38Å; L371-V375 HydrophobicContact CD1-CG1 4.26Å; L371-A376 HydrophobicContact CD2-CB 4.08Å; L371-A376 HydrophobicContact CG-CB 4.43Å
372D94.5Very high83.2Confident16 Ų1636.5 Ų36.59%0.08623%0.225CC..EExtended strand (participates in β ladder)trans-51.2125.6174.5-173-48.3000110.4L257 R302 Y304 K374 V375 A376L257-D372 WeakPolarHBondContact O-CB 3.37Å; L257-D372 PolarHBondContact O-N 2.81Å; R302-D372 IonicContact NH1-OD2 2.78Å; Y304-D372 HydrophobicContact CE1-CB 4.12Å; D372-K374 PolarHBondContact O-N 2.86Å; D372-K374 WeakPolarHBondContact OD1-CB 3.21Å; D372-K374 PolarHBondContact OD1-N 3.23Å; D372-V375 HydrophobicContact CB-CG2 4.25Å; D372-V375 PolarHBondContact O-N 2.86Å; D372-A376 PolarHBondContact O-N 2.78Å
373A91.9Very high81Confident18 Ų1837 Ų3715%0.14923%0.226CC..Hα-helixtrans-60.5-28.9-174.200000112.8L303 L371 V375 A376 S377L303-A373 HydrophobicContact CB-CB 4.02Å; L303-A373 HydrophobicContact CD2-CB 4.15Å; L303-A373 HydrophobicContact CG-CB 4.12Å; L303-A373 VanDerWaalsContact O-CB 3.24Å; L303-A373 WeakPolarHBondContact O-CB 3.39Å; L303-A373 PolarHBondContact O-N 3.12Å; L371-A373 PolarHBondContact O-N 2.98Å; A373-V375 VanDerWaalsContact C-N 3.28Å; A373-V375 PolarHBondContact O-N 3.39Å; A373-A376 PolarHBondContact O-N 2.79Å; A373-S377 PolarHBondContact O-N 2.82Å; A373-S377 PolarHBondContact O-OG 2.76Å
374K88.5Confident78.2Confident153 Ų15341.5 Ų41.567%0.66525%0.254SS*.Hα-helixtrans-67.7-29.7175.7-62.9-179.8-180177.80112.2D372 S377 S378D372-K374 PolarHBondContact O-N 2.86Å; D372-K374 WeakPolarHBondContact OD1-CB 3.21Å; D372-K374 PolarHBondContact OD1-N 3.23Å; K374-S377 PolarHBondContact O-OG 3.49Å; K374-S377 VanDerWaalsContact O-OG 3.11Å; K374-S378 PolarHBondContact O-OG 3.1Å
375V86.5Confident75.1Confident34 Ų3447.4 Ų47.421%0.20629%0.285CS..Hα-helixtrans-84.8-38.7175.4-177.70000110.2P61 L257 L371 D372 A373 S377 S378 T379P61-V375 HydrophobicContact CG-CG1 4Å; L257-V375 HydrophobicContact CD1-CG2 3.96Å; L257-V375 HydrophobicContact CD2-CG1 4.46Å; L257-V375 HydrophobicContact CG-CG2 4.07Å; L371-V375 HydrophobicContact CD1-CB 4.38Å; L371-V375 HydrophobicContact CD1-CG1 4.26Å; D372-V375 HydrophobicContact CB-CG2 4.25Å; D372-V375 PolarHBondContact O-N 2.86Å; A373-V375 VanDerWaalsContact C-N 3.28Å; A373-V375 PolarHBondContact O-N 3.39Å; V375-S377 VanDerWaalsContact C-N 3.28Å; V375-S377 PolarHBondContact O-N 2.87Å; V375-S378 PolarHBondContact O-N 3.28Å; V375-S378 PolarHBondContact O-OG 3.44Å; V375-T379 PolarHBondContact O-N 3.07Å; V375-T379 PolarHBondContact O-OG1 3.33Å
376A80.9Confident72.4Confident17 Ų1751.9 Ų51.914%0.1431%0.312CS..Hα-helixtrans-59.1-38.7176.600000112.6N305 L371 D372 A373 S380N305-A376 HydrophobicContact CB-CB 4.46Å; L371-A376 HydrophobicContact CD2-CB 4.08Å; L371-A376 HydrophobicContact CG-CB 4.43Å; D372-A376 PolarHBondContact O-N 2.78Å; A373-A376 PolarHBondContact O-N 2.79Å; A376-S380 PolarHBondContact O-N 2.76Å; A376-S380 PolarHBondContact O-OG 3.1Å
377S78Confident69.4Low72 Ų7256 Ų5650%0.50334%0.341SS..Hα-helixtrans-70-42.6177.660.30000112.9A373 K374 V375 T379 S380A373-S377 PolarHBondContact O-N 2.82Å; A373-S377 PolarHBondContact O-OG 2.76Å; K374-S377 PolarHBondContact O-OG 3.49Å; K374-S377 VanDerWaalsContact O-OG 3.11Å; V375-S377 VanDerWaalsContact C-N 3.28Å; V375-S377 PolarHBondContact O-N 2.87Å; S377-T379 VanDerWaalsContact C-N 3.31Å; S377-T379 PolarHBondContact O-N 3.25Å; S377-S380 PolarHBondContact O-N 3.3Å
378S70.3Confident66.3Low62 Ų6260.5 Ų60.543%0.43437%0.369SS..Hα-helixtrans-68.3-29.5178.663.50000113.2K374 V375 S380 T381K374-S378 PolarHBondContact O-OG 3.1Å; V375-S378 PolarHBondContact O-N 3.28Å; V375-S378 PolarHBondContact O-OG 3.44Å; S378-S380 VanDerWaalsContact C-N 3.33Å; S378-T381 PolarHBondContact O-OG1 2.77Å; S378-T381 VanDerWaalsContact O-OG1 3.1Å
379T60.8Low63.1Low27 Ų2766.2 Ų66.217%0.16640%0.398CS..Hα-helixtrans-83.4-9180-23.70000113.9K60 V375 S377K60-T379 HydrophobicContact CB-CG2 3.73Å; K60-T379 HydrophobicContact CD-CG2 3.24Å; K60-T379 HydrophobicContact CG-CG2 4.11Å; K60-T379 PolarHBondContact NZ-O 3.5Å; V375-T379 PolarHBondContact O-N 3.07Å; V375-T379 PolarHBondContact O-OG1 3.33Å; S377-T379 VanDerWaalsContact C-N 3.31Å; S377-T379 PolarHBondContact O-N 3.25Å
380S56.6Low60Low67 Ų6769.2 Ų69.247%0.46942%0.417SS..Hα-helixtrans-86.1-20.2175.4-59.20000112.5A376 S377 S378A376-S380 PolarHBondContact O-N 2.76Å; A376-S380 PolarHBondContact O-OG 3.1Å; S377-S380 PolarHBondContact O-N 3.3Å; S378-S380 VanDerWaalsContact C-N 3.33Å
381T46.2Very low56.6Low119 Ų11975.5 Ų75.573%0.7345%0.45SS*.Hα-helixtrans-96.3-16.9179.953.40000113.7S378 T383S378-T381 PolarHBondContact O-OG1 2.77Å; S378-T381 VanDerWaalsContact O-OG1 3.1Å; T381-T383 VanDerWaalsContact C-N 3.3Å; T381-T383 PolarHBondContact O-N 2.83Å
382A36.8Very low53.2Low69 Ų6982.5 Ų82.557%0.5749%0.488SS*.  trans-84.312.3-174.500000115.4D384A382-D384 VanDerWaalsContact C-N 3.26Å; A382-D384 PolarHBondContact O-N 2.9Å
383T38.9Very low50Low58 Ų5886.3 Ų86.336%0.35652%0.515SS..THydrogen-bonded Turntrans-75.975.4175.447.80000110.7T381T381-T383 VanDerWaalsContact C-N 3.3Å; T381-T383 PolarHBondContact O-N 2.83Å
384D33Very low47Very low143 Ų14391.9 Ų91.977%0.76555%0.548SS*.THydrogen-bonded Turntrans-153.1-2.4159.9-96.5-25000115.4A382A382-D384 VanDerWaalsContact C-N 3.26Å; A382-D384 PolarHBondContact O-N 2.9Å
385N30.6Very low44.2Very low126 Ų12691.8 Ų91.867%0.67455%0.553SS**SBendtrans-115-6.7-176.1-79-18.7000117T388N385-T388 PolarHBondContact O-OG1 3.49Å
386T39.3Very low41.2Very low93 Ų9393.3 Ų93.357%0.57158%0.576SS**SBendtrans-80.1-20.8176.932.80000113.7T388T386-T388 VanDerWaalsContact C-N 3.27Å; T386-T388 PolarHBondContact O-N 3.48Å
387S34.3Very low38.7Very low87 Ų8799 Ų9961%0.60861%0.608SS**SBendtrans-70.3-23.7173.3-52.80000112.8
388T32.7Very low36.2Very low96 Ų9698.5 Ų98.559%0.58961%0.614SS**SBendtrans-80.7-22.6-176.3-20.30000113N385 T386 V390N385-T388 PolarHBondContact O-OG1 3.49Å; T386-T388 VanDerWaalsContact C-N 3.27Å; T386-T388 PolarHBondContact O-N 3.48Å; T388-V390 VanDerWaalsContact C-N 3.3Å; T388-V390 PolarHBondContact O-N 3.04Å
389I33Very low33.8Very low120 Ų120103.6 Ų103.662%0.61564%0.637SS**SBendtrans-72.7-25.2-178.9-60.2176.3000111.5
390V33.6Very low32.2Very low64 Ų64107.3 Ų107.339%0.38866%0.664SS.*SBendtrans-87.6-17.6-174.1-171.50000113.4T388T388-V390 VanDerWaalsContact C-N 3.3Å; T388-V390 PolarHBondContact O-N 3.04Å
391N26.2Very low30.6Very low131 Ų131111.5 Ų111.570%0.70168%0.681SS**SBendtrans-92.32.3-173.3-78.7-2.6000116.4
392N25.3Very low29.7Very low160 Ų160111.1 Ų111.186%0.85668%0.683SS**  trans-105.965.4171.8-86.3-0.2000111.6
393S27.5Very low29Very low96 Ų96113.3 Ų113.367%0.67170%0.695SS**  trans-149.445.7161.846.90000112.1I395S393-I395 PolarHBondContact O-N 3Å
394T27.8Very low28.5Very low136 Ų136115.9 Ų115.983%0.83471%0.712SS**  trans-85.497.3155.9-34.90000106.7G396T394-G396 VanDerWaalsContact C-N 3.34Å; T394-G396 PolarHBondContact O-N 2.87Å
395I28.8Very low28Very low151 Ų151115 Ų11577%0.77471%0.712SS**  trans-63100.6169.4-65.8172.4000106.3S393 V397S393-I395 PolarHBondContact O-N 3Å; I395-V397 PolarHBondContact O-N 3.34Å
396G24.6Very low27.9Very low66 Ų66116.6 Ų116.668%0.6872%0.721SS**  trans-64.3110.9162.300000107.7T394 G398T394-G396 VanDerWaalsContact C-N 3.34Å; T394-G396 PolarHBondContact O-N 2.87Å; G396-G398 VanDerWaalsContact C-N 3.29Å; G396-G398 PolarHBondContact O-N 2.7Å
397V28.9Very low27.2Very low136 Ų136117.4 Ų117.482%0.82473%0.73SS**  trans-68.298164.2178.20000105.4I395 D399I395-V397 PolarHBondContact O-N 3.34Å; V397-D399 PolarHBondContact O-N 3.28Å
398G24.6Very low27Very low61 Ų61120.8 Ų120.863%0.62974%0.74SS**  trans-69.3121.5176.600000110.4G396 S400G396-G398 VanDerWaalsContact C-N 3.29Å; G396-G398 PolarHBondContact O-N 2.7Å; G398-S400 PolarHBondContact O-N 2.96Å
399D20.8Very low26.6Very low170 Ų170121.1 Ų121.191%0.90975%0.746SS**  trans-48.2124.2154.4-72.4-47.7000110.2V397V397-D399 PolarHBondContact O-N 3.28Å
400S26.3Very low26.4Very low104 Ų104121.4 Ų121.473%0.72776%0.759SS**  trans-150.4106.8155.7430000109.7G398G398-S400 PolarHBondContact O-N 2.96Å
401N22.8Very low26.3Very low155 Ų155122.3 Ų122.383%0.82978%0.781SS**  trans37.7113.6137.4-68.1-18.5000117.4
402S28.2Very low26.2Very low111 Ų111121.4 Ų121.478%0.77678%0.784SS**  179.6119.7101.638.20000110.9
403S22.3Very low26.1Very low116 Ų116120.8 Ų120.881%0.81178%0.779SS**  trans-59.1142.3150.1-53.20000108.7
404P26.9Very low26.8Very low111 Ų111126.3 Ų126.372%0.72181%0.809SS**  -133.2136.3104.729.7-15.9000112.9
405T23.7Very low26.7Very low125 Ų125125.8 Ų125.877%0.76781%0.807SS**  trans-10.1121.8146.552.90000115.7
406N28.9Very low26.6Very low159 Ų159124.5 Ų124.585%0.8581%0.809SS**  trans-147104.4138.7-102.9-20.1000109.7
407S24Very low26.7Very low111 Ų111127.7 Ų127.778%0.77682%0.816SS**  trans-65.9115.4161.346.30000109.9
408I30.2Very low26.6Very low157 Ų157127.2 Ų127.281%0.80582%0.816SS**  trans-134.9112.5150.3-62.7-176.1000108.6
409S24.4Very low26.7Very low104 Ų104131.4 Ų131.473%0.72783%0.828SS**  trans-55.6138.6163.953.10000112.4
410S29.3Very low27.1Very low126 Ų126128.8 Ų128.888%0.88182%0.822SS**  trans-175.8117.8142.5-79.80000108.5
411G30.6Very low27.2Very low83 Ų83130.6 Ų130.686%0.85683%0.829SS**  trans175.754.8178.600000111.7
412C24Very low27.5Very low111 Ų111128.7 Ų128.775%0.7583%0.829SS**  trans-90.8121.7170.4-139.30000108.4
413I24.1Very low27.5Very low147 Ų147130.2 Ų130.275%0.75483%0.833SS**  trans53.3109.4141-51.8169.5000117.6
414T41.3Very low27.9Very low212 Ų212131.5 Ų131.5100%1.30184%0.835SS**  -161.40104.438.80000109.3

Retrieved 414 of 414 residues in 1320.8 ms (Link to these results)

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