A0A077Z0H8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z0H8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 484 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
1M33.8Very low62.4Low243 Ų243146 Ų146100%1.19768%0.68SS**  01210-76.7178.1173.400107.6D3M1-D3 PolarHBondContact O-N 2.95Å
2Y37.3Very low64.2Low206 Ų206139.6 Ų139.681%0.80866%0.658SS**  trans-76.1106.8174.3-72.9-88.7000108.4
3D44Very low65.5Low88 Ų88140.4 Ų140.447%0.47167%0.669SS.*  trans-71137.7168.8-169.7-0.7000108.5M1 Q5 N6M1-D3 PolarHBondContact O-N 2.95Å; D3-Q5 PolarHBondContact O-N 3.09Å; D3-N6 PolarHBondContact O-N 3.44Å; D3-N6 VanDerWaalsContact O-N 3.12Å
4R48.8Very low66.7Low254 Ų254141.1 Ų141.196%0.95868%0.679SS**THydrogen-bonded Turntrans-62.1-0.5-177.2-73.9-178.7173.9178.5-1.5113.5
5Q50.2Low67.8Low151 Ų151136.3 Ų136.371%0.70667%0.672SS**THydrogen-bonded Turntrans-107.111.3177.7-61.3-168.3-4.900114.6D3 V7D3-Q5 PolarHBondContact O-N 3.09Å; Q5-V7 HydrophobicContact CB-CG2 4.15Å; Q5-V7 WeakPolarHBondContact O-CG2 3.49Å; Q5-V7 PolarHBondContact O-N 2.88Å; Q5-V7 VanDerWaalsContact O-N 3.12Å
6N60.6Low68.9Low138 Ų138138.8 Ų138.874%0.73869%0.688SS**  trans53.231.8178.1-95.5-3.2000113.6D3D3-N6 PolarHBondContact O-N 3.44Å; D3-N6 VanDerWaalsContact O-N 3.12Å
7V73.7Confident69.8Low72 Ų72138.5 Ų138.544%0.43670%0.695SS.*  trans-94.9111.1175.9-176.90000108.7Q5 R9Q5-V7 HydrophobicContact CB-CG2 4.15Å; Q5-V7 WeakPolarHBondContact O-CG2 3.49Å; Q5-V7 PolarHBondContact O-N 2.88Å; Q5-V7 VanDerWaalsContact O-N 3.12Å; V7-R9 HydrophobicContact CG1-CG 4.18Å
8H81.6Confident70.7Confident65 Ų65135.9 Ų135.930%0.30169%0.688SS.*  trans-78.8125.4172.3-64.6-83.6000109.9F10 Y68 P86H8-F10 HydrophobicContact CB-CE2 3.97Å; H8-F10 HydrophobicContact CB-CZ 4.28Å; H8-Y68 AromaticContact CE1-CE2 3.8Å; H8-Y68 PolarHBondContact CE1-OH 2.95Å; H8-P86 HydrophobicContact CB-CB 3.94Å; H8-P86 PolarHBondContact CD2-O 3.38Å
9R85Confident71.4Confident212 Ų212135.7 Ų135.780%0.870%0.696SS**  trans-130.5132.8173.6-69.7-177.1180155.31.5109.1V7V7-R9 HydrophobicContact CG1-CG 4.18Å
10F85.7Confident71.8Confident65 Ų65136.1 Ų136.129%0.28570%0.7SS.*  trans-125.4134.6177.1-55-81.2000108.8H8 I61 E63 A64 P86 F87H8-F10 HydrophobicContact CB-CE2 3.97Å; H8-F10 HydrophobicContact CB-CZ 4.28Å; F10-I61 HydrophobicContact CB-CG2 4.3Å; F10-E63 HydrophobicContact CD1-CB 3.86Å; F10-E63 HydrophobicContact CE1-CB 3.55Å; F10-A64 HydrophobicContact CD2-CB 4.31Å; F10-A64 HydrophobicContact CE2-CB 4.38Å; F10-P86 HydrophobicContact CE2-CB 3.73Å; F10-P86 HydrophobicContact CE2-CG 4.17Å; F10-P86 HydrophobicContact CZ-CB 3.68Å; F10-P86 HydrophobicContact CZ-CG 3.73Å; F10-F87 HydrophobicContact CD2-CE1 4.42Å; F10-F87 AromaticContact CD2-CE2 3.91Å; F10-F87 HydrophobicContact CD2-CE2 3.91Å; F10-F87 AromaticContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CE2-CE1 4.44Å; F10-F87 AromaticContact CE2-CE2 3.92Å; F10-F87 HydrophobicContact CE2-CE2 3.92Å; F10-F87 AromaticContact CE2-CZ 3.8Å; F10-F87 HydrophobicContact CE2-CZ 3.8Å
11S85.2Confident72.2Confident112 Ų112131.4 Ų131.478%0.78368%0.676SS**  trans-76.7140173.1-60.90000109.6
12V83.9Confident74.4Confident69 Ų69126.7 Ų126.742%0.41866%0.656SS.*  trans-128.8111.5176.8-173.40000107.7A15 I61V12-A15 HydrophobicContact CG1-CB 3.93Å; V12-I61 HydrophobicContact CB-CD1 4.4Å; V12-I61 HydrophobicContact CG1-CD1 4.07Å; V12-I61 HydrophobicContact CG2-CD1 3.49Å; V12-I61 VanDerWaalsContact CG2-CD1 3.49Å; V12-I61 HydrophobicContact CG2-CG1 4.47Å
13D81.1Confident76.2Confident150 Ų150118.2 Ų118.280%0.80263%0.625SS**SBendtrans-82.1-28.1-172.2-63.5-34000112.3
14D82.9Confident77.5Confident150 Ų150117.4 Ų117.480%0.80263%0.626SS**SBendtrans-132.957-174.2-69.6-50000113.6L16D14-L16 PolarHBondContact O-N 3.34Å
15A83Confident78.3Confident69 Ų69112.9 Ų112.957%0.5762%0.616SS**  trans-72.2120.2177.900000112.3V12 T17V12-A15 HydrophobicContact CG1-CB 3.93Å; A15-T17 PolarHBondContact O-N 2.98Å
16L85Confident79.1Confident177 Ų177111.9 Ų111.993%0.92761%0.606SS**  trans-73.5125.5169.9-65.6176.3000110.5D14D14-L16 PolarHBondContact O-N 3.34Å
17T84.7Confident79.5Confident133 Ų133108.7 Ų108.782%0.81660%0.595SS**  trans-109.2138.6179.358.70000111.2A15A15-T17 PolarHBondContact O-N 2.98Å
18V86.3Confident79.4Confident92 Ų92106.8 Ų106.856%0.55858%0.583SS**  trans-136148.5174.4-68.30000109.5N20 I21V18-N20 PolarHBondContact O-N 3.18Å; V18-I21 HydrophobicContact CG2-CG1 3.96Å
19P83.6Confident79.1Confident132 Ų132107.7 Ų107.786%0.85759%0.59SS**SBendtrans-61-31.9-178.4-22.331.8000113.6
20N80.1Confident78.5Confident144 Ų14499.4 Ų99.477%0.7756%0.56SS**SBendtrans-144.7128.1176-83.2-49.1000109.2V18 N22V18-N20 PolarHBondContact O-N 3.18Å; N20-N22 PolarHBondContact O-N 3.4Å
21I79.9Confident78Confident37 Ų37101.1 Ų101.119%0.1958%0.576CS.*  trans-77116.7173.6-55.8-178.4000108.1V18 V23 A54 L56V18-I21 HydrophobicContact CG2-CG1 3.96Å; I21-V23 HydrophobicContact CB-CG1 4.44Å; I21-V23 HydrophobicContact CG2-CG1 3.5Å; I21-V23 PolarHBondContact O-N 2.88Å; I21-A54 VanDerWaalsContact CD1-C 3.48Å; I21-A54 VanDerWaalsContact CD1-O 3.26Å; I21-A54 WeakPolarHBondContact CD1-O 3.48Å; I21-L56 HydrophobicContact CD1-CG 4.42Å; I21-L56 HydrophobicContact CG2-CD1 3.62Å; I21-L56 HydrophobicContact CG2-CG 3.86Å
22N79Confident77.5Confident145 Ų14597 Ų9778%0.77555%0.546SS*.  trans-78.272177.9-166.717.8000111.1N20N20-N22 PolarHBondContact O-N 3.4Å
23V76Confident77Confident28 Ų2894.2 Ų94.217%0.1753%0.529CS..  trans-87.1156.1172.2-60.70000112.1I21 K50 V53 L56I21-V23 HydrophobicContact CB-CG1 4.44Å; I21-V23 HydrophobicContact CG2-CG1 3.5Å; I21-V23 PolarHBondContact O-N 2.88Å; V23-K50 HydrophobicContact CG2-CB 4.41Å; V23-K50 HydrophobicContact CG2-CG 3.84Å; V23-V53 HydrophobicContact CG1-CB 4.37Å; V23-V53 HydrophobicContact CG1-CG1 3.99Å; V23-V53 HydrophobicContact CG2-CB 4.13Å; V23-V53 HydrophobicContact CG2-CG2 4.16Å; V23-L56 HydrophobicContact CG1-CD2 4.15Å
24S70.3Confident76.8Confident70 Ų7090 Ų9049%0.4950%0.504SS..  trans-55.2137.6175.2173.70000111.7R26S24-R26 PolarHBondContact O-N 3.24Å; S24-R26 WeakPolarHBondContact OG-CD 3.33Å; S24-R26 VanDerWaalsContact OG-CG 3.22Å; S24-R26 WeakPolarHBondContact OG-CG 3.48Å; S24-R26 PolarHBondContact OG-N 3.35Å
25Q67.3Low76.5Confident159 Ų15989.3 Ų89.374%0.74350%0.5SS*.  trans-69.215.7173.8-68.1-177-1700114S27 K50Q25-S27 PolarHBondContact O-N 3.34Å; Q25-K50 HydrophobicContact CG-CD 4.08Å
26R65.9Low76.3Confident130 Ų13090 Ų9049%0.49149%0.494SS..  trans-76.7112.4-177.9-76.8173.7-170.5-174.74.2108.3S24S24-R26 PolarHBondContact O-N 3.24Å; S24-R26 WeakPolarHBondContact OG-CD 3.33Å; S24-R26 VanDerWaalsContact OG-CG 3.22Å; S24-R26 WeakPolarHBondContact OG-CG 3.48Å; S24-R26 PolarHBondContact OG-N 3.35Å
27S68.6Low76.1Confident72 Ų7283.7 Ų83.750%0.50346%0.458SS..  trans-92151.5159.858.80000109.4Q25Q25-S27 PolarHBondContact O-N 3.34Å
28V72.3Confident75.8Confident31 Ų3182 Ų8219%0.18845%0.449CS..  trans-125.9123.7179.8-176.60000107.1F30 L33 M95V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD1 4.3Å; V28-F30 HydrophobicContact CG1-CE1 4.15Å; V28-F30 HydrophobicContact CG1-CZ 4.48Å; V28-F30 PolarHBondContact O-N 3.41Å; V28-F30 VanDerWaalsContact O-N 3.08Å; V28-L33 HydrophobicContact CG1-CD1 3.27Å; V28-L33 HydrophobicContact CG1-CG 4.11Å; V28-M95 HydrophobicContact CG1-CE 4Å; V28-M95 HydrophobicContact CG1-SD 4.3Å; V28-M95 HydrophobicContact CG2-CE 3.73Å
29D74.6Confident75.5Confident84 Ų8479.7 Ų79.745%0.44943%0.432SS..  trans-7794.5171.8-177.82.1000110T31 C32 L33D29-T31 PolarHBondContact O-N 2.97Å; D29-T31 WeakPolarHBondContact OD1-CA 3.27Å; D29-T31 WeakPolarHBondContact OD1-CB 3.28Å; D29-T31 PolarHBondContact OD1-N 3.47Å; D29-T31 PolarHBondContact OD1-OG1 3.27Å; D29-C32 HydrophobicContact CB-CB 4.09Å; D29-C32 PolarHBondContact O-N 3.39Å; D29-C32 PolarHBondContact OD1-N 2.85Å; D29-C32 WeakPolarHBondContact OD2-CB 3.27Å; D29-L33 PolarHBondContact O-N 3.3Å; D29-L33 VanDerWaalsContact O-N 3.1Å
30F73.8Confident75.5Confident39 Ų3973.5 Ų73.517%0.17139%0.392CS..Hα-helixtrans-65.6-23.9177.1-70.2-64.7000113.2V28 C32 L33 K34 L45 A47 I91V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD1 4.3Å; V28-F30 HydrophobicContact CG1-CE1 4.15Å; V28-F30 HydrophobicContact CG1-CZ 4.48Å; V28-F30 PolarHBondContact O-N 3.41Å; V28-F30 VanDerWaalsContact O-N 3.08Å; F30-C32 VanDerWaalsContact C-N 3.34Å; F30-L33 HydrophobicContact CD1-CD1 3.93Å; F30-L33 HydrophobicContact CE1-CD1 4.25Å; F30-L33 PolarHBondContact O-N 3.44Å; F30-K34 VanDerWaalsContact O-CG 3.27Å; F30-K34 WeakPolarHBondContact O-CG 3.5Å; F30-K34 PolarHBondContact O-N 2.97Å; F30-L45 HydrophobicContact CB-CB 4.24Å; F30-L45 HydrophobicContact CD1-CB 4.07Å; F30-L45 HydrophobicContact CD1-CD1 3.66Å; F30-L45 HydrophobicContact CD1-CG 4.45Å; F30-L45 HydrophobicContact CD2-CB 4.13Å; F30-L45 HydrophobicContact CE1-CB 4.47Å; F30-L45 HydrophobicContact CE1-CD1 3.89Å; F30-L45 HydrophobicContact CG-CB 3.9Å; F30-L45 HydrophobicContact CG-CD1 4.32Å; F30-A47 HydrophobicContact CD2-CB 3.84Å; F30-A47 HydrophobicContact CE2-CB 4.29Å; F30-I91 HydrophobicContact CD1-CD1 3.98Å; F30-I91 HydrophobicContact CE1-CD1 3.65Å; F30-I91 HydrophobicContact CE1-CG1 4.23Å
31T74.5Confident75.5Confident101 Ų10174.9 Ų74.962%0.6239%0.391SS*.Hα-helixtrans-65.1-45176-46.20000109.5D29 K34 N35D29-T31 PolarHBondContact O-N 2.97Å; D29-T31 WeakPolarHBondContact OD1-CA 3.27Å; D29-T31 WeakPolarHBondContact OD1-CB 3.28Å; D29-T31 PolarHBondContact OD1-N 3.47Å; D29-T31 PolarHBondContact OD1-OG1 3.27Å; T31-K34 PolarHBondContact O-N 3.5Å; T31-N35 PolarHBondContact O-N 2.8Å
32C73.8Confident75.5Confident24 Ų2476.9 Ų76.916%0.16242%0.421CS..Hα-helixtrans-64.6-44.4174.5-169.50000112.4D29 F30 K34 N35 L36 F99D29-C32 HydrophobicContact CB-CB 4.09Å; D29-C32 PolarHBondContact O-N 3.39Å; D29-C32 PolarHBondContact OD1-N 2.85Å; D29-C32 WeakPolarHBondContact OD2-CB 3.27Å; F30-C32 VanDerWaalsContact C-N 3.34Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.88Å; C32-N35 WeakPolarHBondContact O-CB 3.49Å; C32-N35 PolarHBondContact O-N 3.18Å; C32-N35 VanDerWaalsContact O-N 3.09Å; C32-L36 PolarHBondContact O-N 3.15Å; C32-F99 HydrophobicContact CB-CD1 4.3Å; C32-F99 WeakPolarHBondContact SG-CD1 3.37Å; C32-F99 WeakPolarHBondContact SG-CE1 3.42Å
33L74.9Confident75.7Confident11 Ų1170.4 Ų70.46%0.05839%0.386CS..Hα-helixtrans-60.6-37.6178.6-71-177000113.4V28 D29 F30 N35 L36 W37 I91 M95V28-L33 HydrophobicContact CG1-CD1 3.27Å; V28-L33 HydrophobicContact CG1-CG 4.11Å; D29-L33 PolarHBondContact O-N 3.3Å; D29-L33 VanDerWaalsContact O-N 3.1Å; F30-L33 HydrophobicContact CD1-CD1 3.93Å; F30-L33 HydrophobicContact CE1-CD1 4.25Å; F30-L33 PolarHBondContact O-N 3.44Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.31Å; L33-L36 HydrophobicContact CD2-CD1 4.44Å; L33-L36 PolarHBondContact O-N 3.44Å; L33-W37 HydrophobicContact CD2-CH2 4.03Å; L33-W37 HydrophobicContact CD2-CZ3 3.86Å; L33-W37 PolarHBondContact O-N 2.87Å; L33-W37 VanDerWaalsContact O-N 3.09Å; L33-I91 HydrophobicContact CD1-CD1 4.32Å; L33-M95 HydrophobicContact CD1-SD 3.91Å
34K77Confident75.7Confident62 Ų6272 Ų7227%0.2741%0.408SS..Hα-helixtrans-63.1-31.2175.9-73.5177.8-166.4-175.30112.7F30 T31 C32 I43F30-K34 VanDerWaalsContact O-CG 3.27Å; F30-K34 WeakPolarHBondContact O-CG 3.5Å; F30-K34 PolarHBondContact O-N 2.97Å; T31-K34 PolarHBondContact O-N 3.5Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.88Å; K34-I43 VanDerWaalsContact CE-O 3.25Å; K34-I43 WeakPolarHBondContact CE-O 3.28Å; K34-I43 PolarHBondContact NZ-O 3.2Å
35N76.8Confident75.9Confident136 Ų13669.6 Ų69.673%0.72739%0.39SS*.Hα-helixtrans-74.6-36.1176.5-69.5-23.4000112.2T31 C32 L33T31-N35 PolarHBondContact O-N 2.8Å; C32-N35 WeakPolarHBondContact O-CB 3.49Å; C32-N35 PolarHBondContact O-N 3.18Å; C32-N35 VanDerWaalsContact O-N 3.09Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.31Å
36L77.2Confident76Confident83 Ų8368.8 Ų68.844%0.43539%0.391SS..Hα-helixtrans-71.7-37.8179.9-74.8154.9000112.2C32 L33 F99C32-L36 PolarHBondContact O-N 3.15Å; L33-L36 HydrophobicContact CD2-CD1 4.44Å; L33-L36 PolarHBondContact O-N 3.44Å; L36-F99 HydrophobicContact CD1-CD2 3.79Å; L36-F99 HydrophobicContact CD1-CE2 3.47Å; L36-F99 VanDerWaalsContact CD1-CE2 3.47Å; L36-F99 HydrophobicContact CD1-CZ 4.07Å; L36-F99 HydrophobicContact CD2-CE2 4.43Å
37W81.1Confident76.1Confident44 Ų4465.9 Ų65.917%0.16739%0.394CS..  trans-124.299.9-170.5-64.4-20000111.4L33 Q39 L40 A79 P80 M95L33-W37 HydrophobicContact CD2-CH2 4.03Å; L33-W37 HydrophobicContact CD2-CZ3 3.86Å; L33-W37 PolarHBondContact O-N 2.87Å; L33-W37 VanDerWaalsContact O-N 3.09Å; W37-Q39 PolarHBondContact O-N 2.94Å; W37-Q39 VanDerWaalsContact O-N 3.08Å; W37-L40 HydrophobicContact CB-CD1 4.37Å; W37-L40 HydrophobicContact CB-CG 4.15Å; W37-L40 HydrophobicContact CE3-CD1 3.59Å; W37-L40 HydrophobicContact CE3-CG 4.37Å; W37-L40 HydrophobicContact CZ3-CD1 4.26Å; W37-L40 PolarHBondContact O-N 2.99Å; W37-A79 HydrophobicContact CD2-CB 4.29Å; W37-A79 HydrophobicContact CZ2-CB 4.38Å; W37-P80 HydrophobicContact CD2-CG 4.42Å; W37-P80 VanDerWaalsContact CE3-CD 3.49Å; W37-P80 HydrophobicContact CE3-CG 3.51Å; W37-P80 HydrophobicContact CH2-CG 3.21Å; W37-P80 HydrophobicContact CZ2-CG 4.13Å; W37-P80 HydrophobicContact CZ3-CB 4.35Å; W37-P80 HydrophobicContact CZ3-CG 2.85Å; W37-M95 HydrophobicContact CH2-CG 4.37Å
38P78.2Confident76.1Confident99 Ų9966.3 Ų66.364%0.64339%0.394SS*.G310 helixtrans-56.1-28.9-177.1-26.634.3000114.2L40 K41P38-L40 PolarHBondContact O-N 3.25Å; P38-K41 WeakPolarHBondContact O-CB 3.44Å; P38-K41 PolarHBondContact O-N 3.19Å
39Q81.6Confident75.9Confident43 Ų4366.8 Ų66.820%0.20140%0.404CS..G310 helixtrans-66.8-18.4177.674.3-81.414.800113.5W37 L71W37-Q39 PolarHBondContact O-N 2.94Å; W37-Q39 VanDerWaalsContact O-N 3.08Å; Q39-L71 WeakPolarHBondContact O-CD1 3.3Å
40L82.8Confident75.4Confident1 Ų166.6 Ų66.61%0.00540%0.4CS..G310 helixtrans-91.4-0.1173.3-55.2-168.9000112.3W37 P38 G42 I43 A82 I91W37-L40 HydrophobicContact CB-CD1 4.37Å; W37-L40 HydrophobicContact CB-CG 4.15Å; W37-L40 HydrophobicContact CE3-CD1 3.59Å; W37-L40 HydrophobicContact CE3-CG 4.37Å; W37-L40 HydrophobicContact CZ3-CD1 4.26Å; W37-L40 PolarHBondContact O-N 2.99Å; P38-L40 PolarHBondContact O-N 3.25Å; L40-G42 PolarHBondContact O-N 3.19Å; L40-I43 HydrophobicContact CB-CD1 4.16Å; L40-I43 HydrophobicContact CD2-CD1 3.91Å; L40-I43 WeakPolarHBondContact O-CG1 3.32Å; L40-A82 HydrophobicContact CD2-CB 3.47Å; L40-A82 VanDerWaalsContact CD2-CB 3.47Å; L40-I91 HydrophobicContact CD1-CD1 3.65Å
41K80Confident75.2Confident174 Ų17472.6 Ų72.676%0.75743%0.433SS*.THydrogen-bonded Turntrans-71.8120.8177.3-160.2173.8-177.5177.90109P38P38-K41 WeakPolarHBondContact O-CB 3.44Å; P38-K41 PolarHBondContact O-N 3.19Å
42G79.2Confident75.3Confident79 Ų7970 Ų7081%0.81443%0.427SS*.THydrogen-bonded Turntrans103.3-5.5178.700000116.1L40L40-G42 PolarHBondContact O-N 3.19Å
43I83.8Confident75.8Confident8 Ų871.2 Ų71.24%0.04143%0.434CS..  trans-86.2137.1170.867.4-178000111K34 L40 L45 L71 A82 W89K34-I43 VanDerWaalsContact CE-O 3.25Å; K34-I43 WeakPolarHBondContact CE-O 3.28Å; K34-I43 PolarHBondContact NZ-O 3.2Å; L40-I43 HydrophobicContact CB-CD1 4.16Å; L40-I43 HydrophobicContact CD2-CD1 3.91Å; L40-I43 WeakPolarHBondContact O-CG1 3.32Å; I43-L45 HydrophobicContact CD1-CD1 3.42Å; I43-L45 VanDerWaalsContact CD1-CD1 3.42Å; I43-L45 HydrophobicContact CD1-CG 3.86Å; I43-L45 HydrophobicContact CG1-CD1 3.86Å; I43-L45 HydrophobicContact CG1-CG 3.95Å; I43-L45 PolarHBondContact O-N 3.19Å; I43-L71 HydrophobicContact CG2-CD1 3.67Å; I43-A82 HydrophobicContact CD1-CB 3.7Å; I43-W89 HydrophobicContact CB-CB 4.49Å; I43-W89 HydrophobicContact CB-CD2 4.03Å; I43-W89 HydrophobicContact CB-CG 3.9Å; I43-W89 HydrophobicContact CD1-CB 4.46Å; I43-W89 HydrophobicContact CG2-CD2 3.68Å; I43-W89 HydrophobicContact CG2-CE3 4.09Å; I43-W89 HydrophobicContact CG2-CG 4.11Å; I43-W89 HydrophobicContact CG2-CH2 4.21Å; I43-W89 HydrophobicContact CG2-CZ2 3.84Å; I43-W89 HydrophobicContact CG2-CZ3 4.34Å
44G76.6Confident76.2Confident62 Ų6274.9 Ų74.964%0.63947%0.466SS*.  trans-78.799.3170.200000109.7
45L73.7Confident76.7Confident20 Ų2076.8 Ų76.811%0.10548%0.482CS..  trans-114.9123.2170.7-73.9170.3000107.9F30 I43 W89 I91F30-L45 HydrophobicContact CB-CB 4.24Å; F30-L45 HydrophobicContact CD1-CB 4.07Å; F30-L45 HydrophobicContact CD1-CD1 3.66Å; F30-L45 HydrophobicContact CD1-CG 4.45Å; F30-L45 HydrophobicContact CD2-CB 4.13Å; F30-L45 HydrophobicContact CE1-CB 4.47Å; F30-L45 HydrophobicContact CE1-CD1 3.89Å; F30-L45 HydrophobicContact CG-CB 3.9Å; F30-L45 HydrophobicContact CG-CD1 4.32Å; I43-L45 HydrophobicContact CD1-CD1 3.42Å; I43-L45 VanDerWaalsContact CD1-CD1 3.42Å; I43-L45 HydrophobicContact CD1-CG 3.86Å; I43-L45 HydrophobicContact CG1-CD1 3.86Å; I43-L45 HydrophobicContact CG1-CG 3.95Å; I43-L45 PolarHBondContact O-N 3.19Å; L45-W89 HydrophobicContact CD2-CB 3.74Å; L45-W89 WeakPolarHBondContact CD2-O 3.26Å; L45-W89 HydrophobicContact CG-CB 4.36Å; L45-I91 HydrophobicContact CD1-CD1 3.55Å; L45-I91 HydrophobicContact CD1-CG1 3.77Å
46N70.2Confident77.2Confident142 Ų14276 Ų7676%0.75948%0.477SS*.  trans-96.7129.3172.9-65.9-21.5000108.2V48N46-V48 PolarHBondContact O-N 3.45Å
47A68Low77.7Confident68 Ų6875.8 Ų75.856%0.56248%0.476SS*.  trans-71.4118.517200000108.7F30F30-A47 HydrophobicContact CD2-CB 3.84Å; F30-A47 HydrophobicContact CE2-CB 4.29Å
48V68.4Low77.9Confident82 Ų8275.1 Ų75.150%0.49748%0.483SS..  trans-108.4120.1176.6-1710000107.5N46 G52 V53N46-V48 PolarHBondContact O-N 3.45Å; V48-G52 WeakPolarHBondContact CG1-O 3.49Å; V48-V53 HydrophobicContact CG1-CG2 4.34Å
49G67.9Low78Confident40 Ų4076.7 Ų76.741%0.41248%0.483SS..  trans-73.9177.8171.900000112D51 G52G49-D51 PolarHBondContact O-N 3.2Å; G49-D51 VanDerWaalsContact O-N 3.16Å; G49-G52 PolarHBondContact O-N 3.31Å
50K64.6Low78.1Confident80 Ų8080.8 Ų80.835%0.34851%0.507SS..G310 helixtrans-49.6-42.7178.5-178.3177.3-179.5-174.80112.3V23 Q25 G52 V53V23-K50 HydrophobicContact CG2-CB 4.41Å; V23-K50 HydrophobicContact CG2-CG 3.84Å; Q25-K50 HydrophobicContact CG-CD 4.08Å; K50-G52 PolarHBondContact O-N 3.43Å; K50-V53 PolarHBondContact O-N 3.17Å
51D68.8Low78.2Confident165 Ų16581.7 Ų81.788%0.88251%0.511SS*.G310 helixtrans-75.6-6.6-175.8-53-37.4000113.9G49G49-D51 PolarHBondContact O-N 3.2Å; G49-D51 VanDerWaalsContact O-N 3.16Å
52G76.4Confident78.4Confident47 Ų4777.7 Ų77.749%0.48550%0.501SS..G310 helixtrans-100.3-4177.200000114.5V48 G49 K50 A54V48-G52 WeakPolarHBondContact CG1-O 3.49Å; G49-G52 PolarHBondContact O-N 3.31Å; K50-G52 PolarHBondContact O-N 3.43Å; G52-A54 PolarHBondContact O-N 3.06Å
53V84Confident78.8Confident50 Ų5078.8 Ų78.830%0.30349%0.485SS..  trans-87.899.6176.8-176.60000109.5V23 V48 K50 L56V23-V53 HydrophobicContact CG1-CB 4.37Å; V23-V53 HydrophobicContact CG1-CG1 3.99Å; V23-V53 HydrophobicContact CG2-CB 4.13Å; V23-V53 HydrophobicContact CG2-CG2 4.16Å; V48-V53 HydrophobicContact CG1-CG2 4.34Å; K50-V53 PolarHBondContact O-N 3.17Å; V53-L56 HydrophobicContact CG1-CD2 4.28Å
54A84.4Confident79Confident88 Ų8878.6 Ų78.673%0.72749%0.485SS*.  trans-91.2-23.9-178.900000114.1I21 G52I21-A54 VanDerWaalsContact CD1-C 3.48Å; I21-A54 VanDerWaalsContact CD1-O 3.26Å; I21-A54 WeakPolarHBondContact CD1-O 3.48Å; G52-A54 PolarHBondContact O-N 3.06Å
55V87.8Confident79.6Confident101 Ų10178.4 Ų78.461%0.61247%0.467SS*.  trans-143.2138.1-173.9-177.60000110.1L57V55-L57 HydrophobicContact CG1-CD2 3.96Å; V55-L57 HydrophobicContact CG1-CG 4.4Å
56L87.4Confident80.2Confident121 Ų12181.9 Ų81.963%0.63448%0.483SS*.  trans-104.7124.2164.8-66.9176.8000108.5I21 V23 V53I21-L56 HydrophobicContact CD1-CG 4.42Å; I21-L56 HydrophobicContact CG2-CD1 3.62Å; I21-L56 HydrophobicContact CG2-CG 3.86Å; V23-L56 HydrophobicContact CG1-CD2 4.15Å; V53-L56 HydrophobicContact CG1-CD2 4.28Å
57L86.3Confident81.2Confident77 Ų7781 Ų8140%0.40347%0.474SS..  trans-94.1126.5177.7-62.8171.9000109.4V55 I61 F87V55-L57 HydrophobicContact CG1-CD2 3.96Å; V55-L57 HydrophobicContact CG1-CG 4.4Å; L57-I61 HydrophobicContact CD2-CD1 4.35Å; L57-F87 HydrophobicContact CD1-CD2 3.68Å; L57-F87 HydrophobicContact CD1-CE2 3.59Å
58G85.7Confident82.3Confident30 Ų3082.6 Ų82.631%0.30947%0.466SS..  trans-89.6160175.200000112.4D60 I61 H65G58-D60 WeakPolarHBondContact CA-OD1 3.3Å; G58-D60 PolarHBondContact O-N 2.8Å; G58-I61 PolarHBondContact O-N 3.46Å; G58-H65 PolarHBondContact O-CE1 3.19Å
59M81.5Confident83.4Confident132 Ų13285.8 Ų85.865%0.6547%0.469SS*.THydrogen-bonded Turntrans-69.2-7.5178.1-73.6-64-54.300113.8V62 H65M59-V62 WeakPolarHBondContact O-CG2 3.27Å; M59-H65 HydrophobicContact SD-CB 4.32Å
60D82.3Confident84.6Confident130 Ų13086.1 Ų86.170%0.69546%0.464SS*.THydrogen-bonded Turntrans-64.6-27.9170.756-44.4000112.2G58 V62G58-D60 WeakPolarHBondContact CA-OD1 3.3Å; G58-D60 PolarHBondContact O-N 2.8Å; D60-V62 PolarHBondContact O-N 3.3Å
61I85.6Confident85.8Confident20 Ų2084 Ų8410%0.10346%0.455CS..SBendtrans-93.976.6169.9-47.8165.6000108.4F10 V12 L57 G58 E63 A64 H65F10-I61 HydrophobicContact CB-CG2 4.3Å; V12-I61 HydrophobicContact CB-CD1 4.4Å; V12-I61 HydrophobicContact CG1-CD1 4.07Å; V12-I61 HydrophobicContact CG2-CD1 3.49Å; V12-I61 VanDerWaalsContact CG2-CD1 3.49Å; V12-I61 HydrophobicContact CG2-CG1 4.47Å; L57-I61 HydrophobicContact CD2-CD1 4.35Å; G58-I61 PolarHBondContact O-N 3.46Å; I61-E63 VanDerWaalsContact C-N 3.28Å; I61-E63 PolarHBondContact O-N 3.34Å; I61-A64 HydrophobicContact CB-CB 4.15Å; I61-A64 HydrophobicContact CG2-CB 3.59Å; I61-A64 WeakPolarHBondContact O-CB 3.3Å; I61-A64 PolarHBondContact O-N 3.01Å; I61-H65 PolarHBondContact O-ND1 3.18Å
62V84.4Confident86.8Confident90 Ų9082.2 Ų82.255%0.54544%0.44SS..G310 helixtrans-60.9-38.4-173.4-179.30000111.5M59 D60 A64 H65 E66M59-V62 WeakPolarHBondContact O-CG2 3.27Å; D60-V62 PolarHBondContact O-N 3.3Å; V62-A64 VanDerWaalsContact C-N 3.26Å; V62-A64 PolarHBondContact O-N 2.98Å; V62-H65 CarbonylContact O-C 3.56Å; V62-H65 WeakPolarHBondContact O-CA 3.47Å; V62-H65 PolarHBondContact O-N 3.27Å; V62-E66 PolarHBondContact O-N 3.4Å
63E86.6Confident87.3Confident102 Ų10280.8 Ų80.848%0.47742%0.422SS..G310 helixtrans-63.5-32.3-178.4-59.985.9165.900112.1F10 I61 H65 E66 P86F10-E63 HydrophobicContact CD1-CB 3.86Å; F10-E63 HydrophobicContact CE1-CB 3.55Å; I61-E63 VanDerWaalsContact C-N 3.28Å; I61-E63 PolarHBondContact O-N 3.34Å; E63-H65 PolarHBondContact O-N 3.37Å; E63-E66 WeakPolarHBondContact O-CB 3.49Å; E63-E66 PolarHBondContact O-N 3.28Å; E63-P86 WeakPolarHBondContact O-CG 3.31Å
64A87.8Confident87.3Confident4 Ų482.6 Ų82.63%0.03344%0.435CS..G310 helixtrans-68.9-19.2174.600000113F10 I61 V62 F87F10-A64 HydrophobicContact CD2-CB 4.31Å; F10-A64 HydrophobicContact CE2-CB 4.38Å; I61-A64 HydrophobicContact CB-CB 4.15Å; I61-A64 HydrophobicContact CG2-CB 3.59Å; I61-A64 WeakPolarHBondContact O-CB 3.3Å; I61-A64 PolarHBondContact O-N 3.01Å; V62-A64 VanDerWaalsContact C-N 3.26Å; V62-A64 PolarHBondContact O-N 2.98Å; A64-F87 HydrophobicContact CB-CD2 4.46Å; A64-F87 HydrophobicContact CB-CE2 3.82Å
65H89Confident87.3Confident58 Ų5889.8 Ų89.827%0.26945%0.445SS..G310 helixtrans-102.95.2-179.8-63.680.4000112.9G58 M59 I61 V62 E63 Q67G58-H65 PolarHBondContact O-CE1 3.19Å; M59-H65 HydrophobicContact SD-CB 4.32Å; I61-H65 PolarHBondContact O-ND1 3.18Å; V62-H65 CarbonylContact O-C 3.56Å; V62-H65 WeakPolarHBondContact O-CA 3.47Å; V62-H65 PolarHBondContact O-N 3.27Å; E63-H65 PolarHBondContact O-N 3.37Å; H65-Q67 PolarHBondContact O-N 3.2Å
66E88.1Confident87.1Confident93 Ų9388.5 Ų88.544%0.43545%0.452SS..  trans-55134.2176.3-82.3-177.8176.800111.5V62 E63 Y68 T85 P86V62-E66 PolarHBondContact O-N 3.4Å; E63-E66 WeakPolarHBondContact O-CB 3.49Å; E63-E66 PolarHBondContact O-N 3.28Å; E66-Y68 HydrophobicContact CB-CD1 4.41Å; E66-Y68 HydrophobicContact CB-CE1 3.9Å; E66-Y68 WeakPolarHBondContact OE2-CE1 3.41Å; E66-T85 WeakPolarHBondContact O-CA 3.4Å; E66-P86 WeakPolarHBondContact O-CD 3.3Å
67Q91.3Very high86.8Confident124 Ų12486.6 Ų86.658%0.57945%0.445SS*.  trans-101.196.6-174.9-55-172.1-0.400109.8H65 V70 I83H65-Q67 PolarHBondContact O-N 3.2Å; Q67-V70 HydrophobicContact CB-CG2 4.3Å; Q67-I83 HydrophobicContact CB-CG2 3.85Å; Q67-I83 HydrophobicContact CG-CG2 3.57Å
68Y90Very high86.6Confident101 Ų10191 Ų9140%0.39646%0.461SS..SBendtrans-73.7-33.4178.7-62-21.4000112.7H8 E66 Q84 P86H8-Y68 AromaticContact CE1-CE2 3.8Å; H8-Y68 PolarHBondContact CE1-OH 2.95Å; E66-Y68 HydrophobicContact CB-CD1 4.41Å; E66-Y68 HydrophobicContact CB-CE1 3.9Å; E66-Y68 WeakPolarHBondContact OE2-CE1 3.41Å; Y68-Q84 PolarHBondContact N-O 2.85Å; Y68-P86 HydrophobicContact CE2-CB 4.37Å; Y68-P86 HydrophobicContact CE2-CG 4.05Å
69R91.8Very high86.4Confident148 Ų14890 Ų9056%0.55845%0.45SS*.EExtended strand (participates in β ladder)trans-153.7137.2178.7-170.7169.6177.3177.31.6111.2I83 Q84 W89R69-I83 CarbonylContact O-C 3.54Å; R69-I83 WeakPolarHBondContact O-CA 3.37Å; R69-Q84 HydrophobicContact CB-CB 3.93Å; R69-Q84 PolarHBondContact O-N 2.92Å; R69-W89 HydrophobicContact CB-CH2 4.01Å; R69-W89 HydrophobicContact CG-CH2 3.98Å
70V92.3Very high86.7Confident48 Ų4883.7 Ų83.729%0.29142%0.419SS..EExtended strand (participates in β ladder)trans-121116.7176.3-174.60000110.3Q67 K72 R81 A82 I83Q67-V70 HydrophobicContact CB-CG2 4.3Å; V70-K72 HydrophobicContact CG1-CG 3.84Å; V70-R81 HydrophobicContact CG1-CB 4.41Å; V70-A82 CarbonylContact C-O 3.58Å; V70-A82 WeakPolarHBondContact CA-O 3.4Å; V70-I83 HydrophobicContact CG1-CG1 4.23Å; V70-I83 HydrophobicContact CG2-CG1 4.29Å; V70-I83 HydrophobicContact CG2-CG2 4.42Å
71L90.6Very high87Confident34 Ų3483 Ų8318%0.17841%0.407CS..EExtended strand (participates in β ladder)trans-90.2108.8170.9-56.8178.6000108.4Q39 I43 R81 A82 W89Q39-L71 WeakPolarHBondContact O-CD1 3.3Å; I43-L71 HydrophobicContact CG2-CD1 3.67Å; L71-R81 VanDerWaalsContact O-CA 3.29Å; L71-R81 WeakPolarHBondContact O-CA 3.35Å; L71-A82 HydrophobicContact CB-CB 4.02Å; L71-A82 HydrophobicContact CD1-CB 4.2Å; L71-A82 HydrophobicContact CG-CB 4.42Å; L71-A82 PolarHBondContact N-O 2.8Å; L71-A82 PolarHBondContact O-N 2.86Å; L71-W89 HydrophobicContact CD1-CH2 3.72Å; L71-W89 HydrophobicContact CD1-CZ2 4.49Å; L71-W89 HydrophobicContact CD1-CZ3 3.77Å; L71-W89 HydrophobicContact CD2-CH2 4.47Å; L71-W89 HydrophobicContact CG-CH2 3.84Å; L71-W89 HydrophobicContact CG-CZ3 3.78Å
72K89.2Confident87.2Confident129 Ų12982.1 Ų82.156%0.56140%0.402SS*.PPolyproline II helixtrans-97.4146-178.4-60.4177.5-175171.50110V70V70-K72 HydrophobicContact CG1-CG 3.84Å
73P86.5Confident87.5Confident17 Ų1778.7 Ų78.711%0.1138%0.381CS..PPolyproline II helixtrans-67.8164.3167.233.6-38000110.7V77 A79P73-V77 HydrophobicContact CB-CB 4.41Å; P73-A79 HydrophobicContact CB-CB 3.82Å; P73-A79 HydrophobicContact CG-CB 4.29Å
74P84.3Confident87.7Confident88 Ų8877 Ų7757%0.57137%0.372SS*.PPolyproline II helixtrans-53.5150.4170.7-22.933.1000111.8G76 V77P74-G76 PolarHBondContact O-N 2.94Å; P74-V77 HydrophobicContact CB-CG2 3.97Å; P74-V77 HydrophobicContact CG-CG2 4.41Å; P74-V77 WeakPolarHBondContact O-CB 3.41Å; P74-V77 PolarHBondContact O-N 3.06Å; P74-V77 VanDerWaalsContact O-N 3.13Å
75Y84.8Confident87.8Confident239 Ų23977.6 Ų77.694%0.93738%0.376SS*.THydrogen-bonded Turntrans-57.3136.9-178.8-169.7-95.5000111.3V77Y75-V77 VanDerWaalsContact C-N 3.26Å; Y75-V77 PolarHBondContact O-N 2.97Å
76G82.8Confident87.8Confident74 Ų7475.4 Ų75.476%0.76337%0.367SS*.THydrogen-bonded Turntrans81.2-11.4-177.500000115.7P74P74-G76 PolarHBondContact O-N 2.94Å
77V82.2Confident87.7Confident80 Ų8076.6 Ų76.649%0.48537%0.371SS..  trans-85.4122.9-179.6-178.30000110.8P73 P74 Y75 A79P73-V77 HydrophobicContact CB-CB 4.41Å; P74-V77 HydrophobicContact CB-CG2 3.97Å; P74-V77 HydrophobicContact CG-CG2 4.41Å; P74-V77 WeakPolarHBondContact O-CB 3.41Å; P74-V77 PolarHBondContact O-N 3.06Å; P74-V77 VanDerWaalsContact O-N 3.13Å; Y75-V77 VanDerWaalsContact C-N 3.26Å; Y75-V77 PolarHBondContact O-N 2.97Å; V77-A79 VanDerWaalsContact C-N 3.32Å; V77-A79 HydrophobicContact CG1-CB 4.09Å; V77-A79 PolarHBondContact O-N 3.47Å
78K81.3Confident87.6Confident170 Ų17072 Ų7274%0.73936%0.357SS*.  trans-75.982.6171.3-71.5-173.9-179.6178.20110.5
79A83.1Confident87.5Confident9 Ų969.7 Ų69.77%0.07435%0.347CS..  trans-135.9158.717200000109.6W37 P73 V77W37-A79 HydrophobicContact CD2-CB 4.29Å; W37-A79 HydrophobicContact CZ2-CB 4.38Å; P73-A79 HydrophobicContact CB-CB 3.82Å; P73-A79 HydrophobicContact CG-CB 4.29Å; V77-A79 VanDerWaalsContact C-N 3.32Å; V77-A79 HydrophobicContact CG1-CB 4.09Å; V77-A79 PolarHBondContact O-N 3.47Å
80P86.6Confident87.3Confident0 Ų065.4 Ų65.40%034%0.339CS..  trans-78.2167.5178.934.7-35.7000111.4W37 I91 V92 M95W37-P80 HydrophobicContact CD2-CG 4.42Å; W37-P80 VanDerWaalsContact CE3-CD 3.49Å; W37-P80 HydrophobicContact CE3-CG 3.51Å; W37-P80 HydrophobicContact CH2-CG 3.21Å; W37-P80 HydrophobicContact CZ2-CG 4.13Å; W37-P80 HydrophobicContact CZ3-CB 4.35Å; W37-P80 HydrophobicContact CZ3-CG 2.85Å; P80-I91 HydrophobicContact CB-CG2 3.54Å; P80-I91 HydrophobicContact CG-CG2 3.72Å; P80-V92 WeakPolarHBondContact CA-O 3.46Å; P80-V92 WeakPolarHBondContact CB-O 3.35Å; P80-M95 HydrophobicContact CG-CG 4.44Å
81R88.6Confident87Confident116 Ų11665 Ų6544%0.43834%0.335SS..EExtended strand (participates in β ladder)trans-108.2141.6-177.9-59.2178.6179-144.8-3.1108.8V70 L71 I91 V92V70-R81 HydrophobicContact CG1-CB 4.41Å; L71-R81 VanDerWaalsContact O-CA 3.29Å; L71-R81 WeakPolarHBondContact O-CA 3.35Å; R81-I91 CarbonylContact O-C 3.57Å; R81-I91 WeakPolarHBondContact O-CA 3.43Å; R81-V92 PolarHBondContact N-O 3.01Å; R81-V92 PolarHBondContact O-N 2.98Å
82A89.9Confident86.7Confident0 Ų067.3 Ų67.30%035%0.35CS..EExtended strand (participates in β ladder)trans-96.3128.8168.200000108.9L40 I43 V70 L71 W89 C90L40-A82 HydrophobicContact CD2-CB 3.47Å; L40-A82 VanDerWaalsContact CD2-CB 3.47Å; I43-A82 HydrophobicContact CD1-CB 3.7Å; V70-A82 CarbonylContact C-O 3.58Å; V70-A82 WeakPolarHBondContact CA-O 3.4Å; L71-A82 HydrophobicContact CB-CB 4.02Å; L71-A82 HydrophobicContact CD1-CB 4.2Å; L71-A82 HydrophobicContact CG-CB 4.42Å; L71-A82 PolarHBondContact N-O 2.8Å; L71-A82 PolarHBondContact O-N 2.86Å; A82-W89 HydrophobicContact CB-CE3 3.85Å; A82-W89 HydrophobicContact CB-CZ3 4.1Å; A82-C90 CarbonylContact C-O 3.54Å; A82-C90 WeakPolarHBondContact CA-O 3.49Å
83I91.4Very high86.4Confident19 Ų1963.2 Ų63.210%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-119.9122-178.9-58.2177.6000107.5Q67 R69 V70 T85 W89 C90 V92Q67-I83 HydrophobicContact CB-CG2 3.85Å; Q67-I83 HydrophobicContact CG-CG2 3.57Å; R69-I83 CarbonylContact O-C 3.54Å; R69-I83 WeakPolarHBondContact O-CA 3.37Å; V70-I83 HydrophobicContact CG1-CG1 4.23Å; V70-I83 HydrophobicContact CG2-CG1 4.29Å; V70-I83 HydrophobicContact CG2-CG2 4.42Å; I83-T85 HydrophobicContact CG2-CG2 4.25Å; I83-W89 CarbonylContact O-C 3.56Å; I83-W89 WeakPolarHBondContact O-CA 3.4Å; I83-C90 PolarHBondContact N-O 2.57Å; I83-C90 PolarHBondContact O-N 3.35Å; I83-V92 HydrophobicContact CD1-CB 4.29Å; I83-V92 HydrophobicContact CD1-CG2 3.96Å
84Q91.2Very high85.8Confident65 Ų6564.9 Ų64.930%0.30436%0.356SS..EExtended strand (participates in β ladder)trans-84.1120.1172.9-169.7175.82.400108.8Y68 R69 W89Y68-Q84 PolarHBondContact N-O 2.85Å; R69-Q84 HydrophobicContact CB-CB 3.93Å; R69-Q84 PolarHBondContact O-N 2.92Å; Q84-W89 HydrophobicContact CB-CD2 3.94Å; Q84-W89 HydrophobicContact CB-CE3 3.78Å; Q84-W89 HydrophobicContact CB-CH2 3.75Å; Q84-W89 HydrophobicContact CB-CZ2 3.87Å; Q84-W89 HydrophobicContact CB-CZ3 3.69Å; Q84-W89 HydrophobicContact CG-CD2 4.3Å; Q84-W89 HydrophobicContact CG-CZ2 4.14Å
85T89.5Confident85Confident17 Ų1763.5 Ų63.510%0.10434%0.342CS..EExtended strand (participates in β ladder)trans-110.6171.5176.270.60000109.4E66 I83 F87 G88E66-T85 WeakPolarHBondContact O-CA 3.4Å; I83-T85 HydrophobicContact CG2-CG2 4.25Å; T85-F87 PolarHBondContact O-N 3.43Å; T85-F87 VanDerWaalsContact O-N 3.11Å; T85-F87 PolarHBondContact OG1-N 2.96Å; T85-G88 PolarHBondContact N-O 3.05Å; T85-G88 PolarHBondContact O-N 2.79Å; T85-G88 PolarHBondContact OG1-N 2.85Å; T85-G88 PolarHBondContact OG1-O 3.16Å
86P88.5Confident84Confident13 Ų1360 Ų608%0.08433%0.329CS..THydrogen-bonded Turntrans-51.8-29.1171.3-27.633.9000114.5H8 F10 E63 E66 Y68H8-P86 HydrophobicContact CB-CB 3.94Å; H8-P86 PolarHBondContact CD2-O 3.38Å; F10-P86 HydrophobicContact CE2-CB 3.73Å; F10-P86 HydrophobicContact CE2-CG 4.17Å; F10-P86 HydrophobicContact CZ-CB 3.68Å; F10-P86 HydrophobicContact CZ-CG 3.73Å; E63-P86 WeakPolarHBondContact O-CG 3.31Å; E66-P86 WeakPolarHBondContact O-CD 3.3Å; Y68-P86 HydrophobicContact CE2-CB 4.37Å; Y68-P86 HydrophobicContact CE2-CG 4.05Å
87F87Confident83Confident118 Ų11858.3 Ų58.352%0.51831%0.311SS..THydrogen-bonded Turntrans-95.33.2-179.2-64.3-62.4000114.2F10 L57 A64 T85F10-F87 HydrophobicContact CD2-CE1 4.42Å; F10-F87 AromaticContact CD2-CE2 3.91Å; F10-F87 HydrophobicContact CD2-CE2 3.91Å; F10-F87 AromaticContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CD2-CZ 3.56Å; F10-F87 HydrophobicContact CE2-CE1 4.44Å; F10-F87 AromaticContact CE2-CE2 3.92Å; F10-F87 HydrophobicContact CE2-CE2 3.92Å; F10-F87 AromaticContact CE2-CZ 3.8Å; F10-F87 HydrophobicContact CE2-CZ 3.8Å; L57-F87 HydrophobicContact CD1-CD2 3.68Å; L57-F87 HydrophobicContact CD1-CE2 3.59Å; A64-F87 HydrophobicContact CB-CD2 4.46Å; A64-F87 HydrophobicContact CB-CE2 3.82Å; T85-F87 PolarHBondContact O-N 3.43Å; T85-F87 VanDerWaalsContact O-N 3.11Å; T85-F87 PolarHBondContact OG1-N 2.96Å
88G87.4Confident81.9Confident27 Ų2760.1 Ų60.128%0.27833%0.325SS..EExtended strand (participates in β ladder)trans115.2-160.4-179.200000113.3T85T85-G88 PolarHBondContact N-O 3.05Å; T85-G88 PolarHBondContact O-N 2.79Å; T85-G88 PolarHBondContact OG1-N 2.85Å; T85-G88 PolarHBondContact OG1-O 3.16Å
89W89.3Confident80.8Confident52 Ų5256.4 Ų56.420%0.19731%0.309CS..EExtended strand (participates in β ladder)trans-86.3132.7-172.9-69.895.7000112.5I43 L45 R69 L71 A82 I83 Q84I43-W89 HydrophobicContact CB-CB 4.49Å; I43-W89 HydrophobicContact CB-CD2 4.03Å; I43-W89 HydrophobicContact CB-CG 3.9Å; I43-W89 HydrophobicContact CD1-CB 4.46Å; I43-W89 HydrophobicContact CG2-CD2 3.68Å; I43-W89 HydrophobicContact CG2-CE3 4.09Å; I43-W89 HydrophobicContact CG2-CG 4.11Å; I43-W89 HydrophobicContact CG2-CH2 4.21Å; I43-W89 HydrophobicContact CG2-CZ2 3.84Å; I43-W89 HydrophobicContact CG2-CZ3 4.34Å; L45-W89 HydrophobicContact CD2-CB 3.74Å; L45-W89 WeakPolarHBondContact CD2-O 3.26Å; L45-W89 HydrophobicContact CG-CB 4.36Å; R69-W89 HydrophobicContact CB-CH2 4.01Å; R69-W89 HydrophobicContact CG-CH2 3.98Å; L71-W89 HydrophobicContact CD1-CH2 3.72Å; L71-W89 HydrophobicContact CD1-CZ2 4.49Å; L71-W89 HydrophobicContact CD1-CZ3 3.77Å; L71-W89 HydrophobicContact CD2-CH2 4.47Å; L71-W89 HydrophobicContact CG-CH2 3.84Å; L71-W89 HydrophobicContact CG-CZ3 3.78Å; A82-W89 HydrophobicContact CB-CE3 3.85Å; A82-W89 HydrophobicContact CB-CZ3 4.1Å; I83-W89 CarbonylContact O-C 3.56Å; I83-W89 WeakPolarHBondContact O-CA 3.4Å; Q84-W89 HydrophobicContact CB-CD2 3.94Å; Q84-W89 HydrophobicContact CB-CE3 3.78Å; Q84-W89 HydrophobicContact CB-CH2 3.75Å; Q84-W89 HydrophobicContact CB-CZ2 3.87Å; Q84-W89 HydrophobicContact CB-CZ3 3.69Å; Q84-W89 HydrophobicContact CG-CD2 4.3Å; Q84-W89 HydrophobicContact CG-CZ2 4.14Å
90C87.4Confident79.7Confident58 Ų5858 Ų5839%0.39232%0.316SS..EExtended strand (participates in β ladder)trans-117142.4172.5-58.30000110.4A82 I83A82-C90 CarbonylContact C-O 3.54Å; A82-C90 WeakPolarHBondContact CA-O 3.49Å; I83-C90 PolarHBondContact N-O 2.57Å; I83-C90 PolarHBondContact O-N 3.35Å
91I85.7Confident78.5Confident40 Ų4063.3 Ų63.321%0.20534%0.344CS..EExtended strand (participates in β ladder)trans-100.7125.6172.9-58.9-164.3000109.5F30 L33 L40 L45 P80 R81F30-I91 HydrophobicContact CD1-CD1 3.98Å; F30-I91 HydrophobicContact CE1-CD1 3.65Å; F30-I91 HydrophobicContact CE1-CG1 4.23Å; L33-I91 HydrophobicContact CD1-CD1 4.32Å; L40-I91 HydrophobicContact CD1-CD1 3.65Å; L45-I91 HydrophobicContact CD1-CD1 3.55Å; L45-I91 HydrophobicContact CD1-CG1 3.77Å; P80-I91 HydrophobicContact CB-CG2 3.54Å; P80-I91 HydrophobicContact CG-CG2 3.72Å; R81-I91 CarbonylContact O-C 3.57Å; R81-I91 WeakPolarHBondContact O-CA 3.43Å
92V85.1Confident76.9Confident82 Ų8264.1 Ų64.150%0.49736%0.364SS..EExtended strand (participates in β ladder)trans-126.9127.8177.4-176.40000110.2P80 R81 I83P80-V92 WeakPolarHBondContact CA-O 3.46Å; P80-V92 WeakPolarHBondContact CB-O 3.35Å; R81-V92 PolarHBondContact N-O 3.01Å; R81-V92 PolarHBondContact O-N 2.98Å; I83-V92 HydrophobicContact CD1-CB 4.29Å; I83-V92 HydrophobicContact CD1-CG2 3.96Å
93G82.5Confident75.2Confident44 Ų4468 Ų6845%0.45439%0.39SS..SBendtrans136.8-179.2174.400000112.7M95G93-M95 PolarHBondContact O-N 2.88Å
94P73.4Confident73.4Confident52 Ų5274.8 Ų74.834%0.33842%0.419SS..  trans-68.2130-177.428.6-33.6000110.5Y96P94-Y96 HydrophobicContact CB-CD2 4.15Å; P94-Y96 HydrophobicContact CB-CE1 4.32Å; P94-Y96 HydrophobicContact CB-CE2 3.38Å; P94-Y96 VanDerWaalsContact CB-CZ 3.46Å; P94-Y96 WeakPolarHBondContact CB-OH 3.48Å; P94-Y96 HydrophobicContact CG-CE2 3.96Å
95M68.3Low71.5Confident58 Ų5878.1 Ų78.129%0.28645%0.445SS..  trans-110.6120.5166.9-56.8-158.2-53.200107.6V28 L33 W37 P80 G93 I100V28-M95 HydrophobicContact CG1-CE 4Å; V28-M95 HydrophobicContact CG1-SD 4.3Å; V28-M95 HydrophobicContact CG2-CE 3.73Å; L33-M95 HydrophobicContact CD1-SD 3.91Å; W37-M95 HydrophobicContact CH2-CG 4.37Å; P80-M95 HydrophobicContact CG-CG 4.44Å; G93-M95 PolarHBondContact O-N 2.88Å; M95-I100 VanDerWaalsContact C-CD1 3.46Å; M95-I100 HydrophobicContact CB-CD1 3.36Å; M95-I100 HydrophobicContact CB-CG1 4.48Å; M95-I100 HydrophobicContact CE-CD1 4.15Å; M95-I100 HydrophobicContact CE-CG1 4.4Å; M95-I100 WeakPolarHBondContact O-CD1 3.41Å
96Y63.5Low69.8Low165 Ų16585.8 Ų85.865%0.64747%0.473SS*.  trans-121.5136.8176.6-53.7-70.1000108.3P94P94-Y96 HydrophobicContact CB-CD2 4.15Å; P94-Y96 HydrophobicContact CB-CE1 4.32Å; P94-Y96 HydrophobicContact CB-CE2 3.38Å; P94-Y96 VanDerWaalsContact CB-CZ 3.46Å; P94-Y96 WeakPolarHBondContact CB-OH 3.48Å; P94-Y96 HydrophobicContact CG-CE2 3.96Å
97G61.8Low67.5Low39 Ų3995.3 Ų95.340%0.40251%0.507SS..SBendtrans143.9170.417100000114.2F99 I100G97-F99 PolarHBondContact O-N 2.87Å; G97-I100 PolarHBondContact O-N 3.25Å
98P57.9Low65.5Low119 Ų11995.6 Ų95.677%0.77352%0.518SS*.THydrogen-bonded Turntrans-64.8-8.7-178.827.7-35000113.7I100P98-I100 PolarHBondContact O-N 3.5Å
99F58.7Low63.6Low92 Ų92103.2 Ų103.240%0.40454%0.54SS..THydrogen-bonded Turntrans-79.8-0.1179.9-44.3-70.9000113.6C32 L36 G97C32-F99 HydrophobicContact CB-CD1 4.3Å; C32-F99 WeakPolarHBondContact SG-CD1 3.37Å; C32-F99 WeakPolarHBondContact SG-CE1 3.42Å; L36-F99 HydrophobicContact CD1-CD2 3.79Å; L36-F99 HydrophobicContact CD1-CE2 3.47Å; L36-F99 VanDerWaalsContact CD1-CE2 3.47Å; L36-F99 HydrophobicContact CD1-CZ 4.07Å; L36-F99 HydrophobicContact CD2-CE2 4.43Å; G97-F99 PolarHBondContact O-N 2.87Å
100I61.1Low61.5Low42 Ų42111.9 Ų111.922%0.21557%0.572CS.*SBendtrans-120.2120.9178.5-49.8169.7000107.3M95 G97 P98M95-I100 VanDerWaalsContact C-CD1 3.46Å; M95-I100 HydrophobicContact CB-CD1 3.36Å; M95-I100 HydrophobicContact CB-CG1 4.48Å; M95-I100 HydrophobicContact CE-CD1 4.15Å; M95-I100 HydrophobicContact CE-CG1 4.4Å; M95-I100 WeakPolarHBondContact O-CD1 3.41Å; G97-I100 PolarHBondContact O-N 3.25Å; P98-I100 PolarHBondContact O-N 3.5Å
101N60.5Low59.7Low111 Ų111117 Ų11759%0.59459%0.594SS**  trans-54.6128.7175.8-79.7-20.6000110.5C103N101-C103 PolarHBondContact O-N 3Å
102P55.6Low57.8Low133 Ų133117.3 Ų117.386%0.86461%0.608SS**  trans-61.9132-178.222.7-31.2000110.6
103C53.1Low56.1Low81 Ų81122.3 Ų122.355%0.54763%0.626SS.*  trans-141.4146.7-177.1-1750000111.1N101 T105N101-C103 PolarHBondContact O-N 3Å; C103-T105 PolarHBondContact O-N 3.37Å
104K53.9Low54.4Low162 Ų162124.9 Ų124.970%0.70463%0.633SS**PPolyproline II helixtrans-61.6120.4176.4-68.2-177.4179.4-179.90109.8Y106K104-Y106 HydrophobicContact CB-CE2 3.91Å; K104-Y106 WeakPolarHBondContact O-CD2 3.29Å; K104-Y106 PolarHBondContact O-N 3.43Å
105T52Low53.6Low136 Ų136128.6 Ų128.683%0.83465%0.654SS**PPolyproline II helixtrans-72.4116.4169.619.90000109.3C103C103-T105 PolarHBondContact O-N 3.37Å
106Y52.2Low52.9Low178 Ų178131.7 Ų131.770%0.69867%0.668SS**PPolyproline II helixtrans-97.4120.4168.1-63.9-84.8000108.5K104 V108K104-Y106 HydrophobicContact CB-CE2 3.91Å; K104-Y106 WeakPolarHBondContact O-CD2 3.29Å; K104-Y106 PolarHBondContact O-N 3.43Å; Y106-V108 PolarHBondContact O-N 3.02Å
107R40.8Very low53Low212 Ų212128.4 Ų128.480%0.866%0.662SS**  trans-85103164.8-77.1-175.5-179.7170.91.2107.4Y109R107-Y109 HydrophobicContact CB-CE2 4.15Å
108V44.7Very low53.6Low124 Ų124131.4 Ų131.475%0.75267%0.669SS**  trans-91.1112.8174-178.70000107.7Y106Y106-V108 PolarHBondContact O-N 3.02Å
109Y48.6Very low54.4Low187 Ų187131.6 Ų131.673%0.73366%0.662SS**  trans-87.6103.8165.9-63.6-88.5000107.2R107 I111R107-Y109 HydrophobicContact CB-CE2 4.15Å; Y109-I111 PolarHBondContact O-N 3.27Å
110R43.9Very low55.1Low234 Ų234130.6 Ų130.688%0.88366%0.664SS**  trans-83.3102.7170.4-165.2-176.5-166-167.44107.4G112R110-G112 VanDerWaalsContact C-N 3.33Å; R110-G112 PolarHBondContact O-N 2.87Å; R110-G112 VanDerWaalsContact O-N 3.17Å
111I49.8Very low56.1Low165 Ų165132 Ų13285%0.84667%0.672SS**  trans-78.594163.5-59.9172.3000105.1Y109 Q113Y109-I111 PolarHBondContact O-N 3.27Å; I111-Q113 PolarHBondContact O-N 3.43Å
112G46.8Very low57.1Low48 Ų48132 Ų13250%0.49567%0.671SS.*  trans-73.3115.416800000107.9R110 T114R110-G112 VanDerWaalsContact C-N 3.33Å; R110-G112 PolarHBondContact O-N 2.87Å; R110-G112 VanDerWaalsContact O-N 3.17Å; G112-T114 PolarHBondContact O-N 3.06Å
113Q48.8Very low58.3Low186 Ų186128.8 Ų128.887%0.86965%0.649SS**  trans-72.681.8159.7-166.9178.716.100106I111 V115I111-Q113 PolarHBondContact O-N 3.43Å; Q113-V115 PolarHBondContact O-N 3.04Å
114T47.3Very low59.7Low98 Ų98130.6 Ų130.660%0.60165%0.648SS**  trans-68.1124.1169.8-37.50000105.8G112 Q116G112-T114 PolarHBondContact O-N 3.06Å; T114-Q116 HydrophobicContact CG2-CB 3.98Å; T114-Q116 PolarHBondContact O-N 2.85Å
115V56.9Low61Low131 Ų131130.1 Ų130.179%0.79464%0.643SS**SBendtrans-66.212.9171.7-171.70000111.4Q113 D117Q113-V115 PolarHBondContact O-N 3.04Å; V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 2.82Å
116Q53.7Low62.5Low122 Ų122128.8 Ų128.857%0.5763%0.627SS**  trans-77.685.5165.4-99.7-176.8-55.700108.5T114 D118 L119T114-Q116 HydrophobicContact CG2-CB 3.98Å; T114-Q116 PolarHBondContact O-N 2.85Å; Q116-D118 PolarHBondContact NE2-OD2 3.08Å; Q116-D118 PolarHBondContact O-N 3.38Å; Q116-D118 VanDerWaalsContact O-N 3.12Å; Q116-L119 PolarHBondContact O-N 3.37Å
117D64.4Low63.7Low97 Ų97129 Ų12952%0.51963%0.626SS.*Hα-helixtrans-48.9-28.9167.2-78.3-32.5000111.4V115 L119 T120 D121V115-D117 VanDerWaalsContact C-N 3.25Å; V115-D117 PolarHBondContact O-N 2.82Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 3.35Å; D117-L119 VanDerWaalsContact O-N 3.14Å; D117-T120 PolarHBondContact O-N 2.77Å; D117-T120 VanDerWaalsContact O-N 3.07Å; D117-D121 VanDerWaalsContact O-CB 3.31Å; D117-D121 WeakPolarHBondContact O-CB 3.31Å; D117-D121 PolarHBondContact O-N 2.79Å
118D74.6Confident65.7Low102 Ų102121.1 Ų121.155%0.54560%0.604SS.*Hα-helixtrans-45.9-47.4179.8-58-18.7000114.4Q116 L122Q116-D118 PolarHBondContact NE2-OD2 3.08Å; Q116-D118 PolarHBondContact O-N 3.38Å; Q116-D118 VanDerWaalsContact O-N 3.12Å; D118-L122 WeakPolarHBondContact O-CB 3.44Å; D118-L122 WeakPolarHBondContact O-CD1 3.18Å; D118-L122 WeakPolarHBondContact O-CG 3.19Å; D118-L122 PolarHBondContact O-N 2.68Å
119L74.7Confident67.4Low123 Ų123119.3 Ų119.364%0.64459%0.589SS**Hα-helixtrans-73.9-42-177.6-176.866.3000111.5Q116 D117 D121 L122 V123Q116-L119 PolarHBondContact O-N 3.37Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 3.35Å; D117-L119 VanDerWaalsContact O-N 3.14Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 2.92Å; L119-L122 PolarHBondContact O-N 2.77Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3Å
120T74.2Confident68.8Low71 Ų71116.4 Ų116.444%0.43658%0.582SS.*Hα-helixtrans-63.2-41.6177.5-58.10000110.1D117 V123 K124D117-T120 PolarHBondContact O-N 2.77Å; D117-T120 VanDerWaalsContact O-N 3.07Å; T120-V123 PolarHBondContact O-N 3.15Å; T120-K124 HydrophobicContact CG2-CD 4.39Å; T120-K124 WeakPolarHBondContact O-CB 3.34Å; T120-K124 VanDerWaalsContact O-CG 3.3Å; T120-K124 WeakPolarHBondContact O-CG 3.38Å; T120-K124 PolarHBondContact O-N 2.88Å
121D81.3Confident70.2Confident72 Ų72108.3 Ų108.339%0.38556%0.562SS.*Hα-helixtrans-71.9-35.5177.6-70-16.7000111.7D117 L119 K124 Y125D117-D121 VanDerWaalsContact O-CB 3.31Å; D117-D121 WeakPolarHBondContact O-CB 3.31Å; D117-D121 PolarHBondContact O-N 2.79Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 2.92Å; D121-K124 PolarHBondContact O-N 3.2Å; D121-K124 IonicContact OD1-NZ 2.73Å; D121-K124 PolarHBondContact OD1-NZ 2.93Å; D121-K124 VanDerWaalsContact OD1-NZ 3.14Å; D121-Y125 WeakPolarHBondContact O-CA 3.39Å; D121-Y125 WeakPolarHBondContact O-CB 3.2Å; D121-Y125 PolarHBondContact O-N 2.62Å
122L82.5Confident71.4Confident109 Ų109107.1 Ų107.157%0.57156%0.556SS**Hα-helixtrans-59.9-44168.6-96.1154.6000111.9D118 L119 Y125 Q126D118-L122 WeakPolarHBondContact O-CB 3.44Å; D118-L122 WeakPolarHBondContact O-CD1 3.18Å; D118-L122 WeakPolarHBondContact O-CG 3.19Å; D118-L122 PolarHBondContact O-N 2.68Å; L119-L122 PolarHBondContact O-N 2.77Å; L122-Y125 PolarHBondContact O-N 3.37Å; L122-Q126 VanDerWaalsContact O-CB 3.26Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 3.26Å
123V80.9Confident72.5Confident66 Ų66108.5 Ų108.540%0.457%0.571SS.*Hα-helixtrans-67.2-45.5177.3172.70000110.9L119 T120 Y125 Q126 W127L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 3Å; T120-V123 PolarHBondContact O-N 3.15Å; V123-Y125 VanDerWaalsContact C-N 3.31Å; V123-Y125 PolarHBondContact O-N 2.98Å; V123-Q126 PolarHBondContact O-N 3.26Å; V123-W127 PolarHBondContact O-N 2.91Å
124K81.4Confident73.6Confident120 Ų120105.9 Ų105.952%0.52256%0.561SS.*Hα-helixtrans-59.5-43.2173.9-73.8170.6-173.3158.60111.4T120 D121 W127 S128T120-K124 HydrophobicContact CG2-CD 4.39Å; T120-K124 WeakPolarHBondContact O-CB 3.34Å; T120-K124 VanDerWaalsContact O-CG 3.3Å; T120-K124 WeakPolarHBondContact O-CG 3.38Å; T120-K124 PolarHBondContact O-N 2.88Å; D121-K124 PolarHBondContact O-N 3.2Å; D121-K124 IonicContact OD1-NZ 2.73Å; D121-K124 PolarHBondContact OD1-NZ 2.93Å; D121-K124 VanDerWaalsContact OD1-NZ 3.14Å; K124-W127 PolarHBondContact O-N 3.35Å; K124-S128 WeakPolarHBondContact O-CB 3.5Å; K124-S128 PolarHBondContact O-N 3.35Å
125Y81Confident74.3Confident152 Ų152109.9 Ų109.960%0.59657%0.573SS**Hα-helixtrans-66-44.7179-175.8-108.8000110.9D121 L122 V123 W127 S128 I129D121-Y125 WeakPolarHBondContact O-CA 3.39Å; D121-Y125 WeakPolarHBondContact O-CB 3.2Å; D121-Y125 PolarHBondContact O-N 2.62Å; L122-Y125 PolarHBondContact O-N 3.37Å; V123-Y125 VanDerWaalsContact C-N 3.31Å; V123-Y125 PolarHBondContact O-N 2.98Å; Y125-W127 VanDerWaalsContact C-N 3.34Å; Y125-W127 PolarHBondContact O-N 3.3Å; Y125-S128 WeakPolarHBondContact CA-OG 3.36Å; Y125-S128 WeakPolarHBondContact O-CB 3.32Å; Y125-S128 PolarHBondContact O-N 3Å; Y125-S128 VanDerWaalsContact O-N 3.12Å; Y125-S128 PolarHBondContact O-OG 2.78Å; Y125-I129 HydrophobicContact CD1-CD1 3.79Å; Y125-I129 HydrophobicContact CD1-CG1 4.49Å; Y125-I129 HydrophobicContact CE1-CD1 3.24Å; Y125-I129 HydrophobicContact CE1-CG1 4.19Å; Y125-I129 HydrophobicContact CE2-CD1 4.29Å; Y125-I129 HydrophobicContact CE2-CG1 4.49Å; Y125-I129 WeakPolarHBondContact O-CG1 3.41Å; Y125-I129 PolarHBondContact O-N 2.94Å
126Q83.5Confident74.6Confident108 Ų108115.2 Ų115.251%0.50558%0.579SS.*Hα-helixtrans-57.8-46.1173.6-178172.7-9.100111.3L122 V123 I129 E130L122-Q126 VanDerWaalsContact O-CB 3.26Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 3.26Å; V123-Q126 PolarHBondContact O-N 3.26Å; Q126-I129 PolarHBondContact O-N 2.9Å; Q126-E130 PolarHBondContact O-N 3.18Å
127W77.7Confident75Confident181 Ų181112.6 Ų112.669%0.68658%0.579SS**Hα-helixtrans-64.9-37.6174-78.910.2000113V123 K124 Y125 I129 E130 S131V123-W127 PolarHBondContact O-N 2.91Å; K124-W127 PolarHBondContact O-N 3.35Å; Y125-W127 VanDerWaalsContact C-N 3.34Å; Y125-W127 PolarHBondContact O-N 3.3Å; W127-I129 VanDerWaalsContact C-N 3.29Å; W127-I129 PolarHBondContact O-N 2.82Å; W127-E130 PolarHBondContact O-N 3.48Å; W127-S131 VanDerWaalsContact O-CB 3.31Å; W127-S131 WeakPolarHBondContact O-CB 3.21Å; W127-S131 PolarHBondContact O-N 3.21Å; W127-S131 PolarHBondContact O-OG 3.24Å
128S82.3Confident74.8Confident47 Ų47114.9 Ų114.933%0.32960%0.596SS.*Hα-helixtrans-63.3-36.8175.680.70000111.7K124 Y125 S131 L132K124-S128 WeakPolarHBondContact O-CB 3.5Å; K124-S128 PolarHBondContact O-N 3.35Å; Y125-S128 WeakPolarHBondContact CA-OG 3.36Å; Y125-S128 WeakPolarHBondContact O-CB 3.32Å; Y125-S128 PolarHBondContact O-N 3Å; Y125-S128 VanDerWaalsContact O-N 3.12Å; Y125-S128 PolarHBondContact O-OG 2.78Å; S128-S131 WeakPolarHBondContact CA-OG 3.48Å; S128-S131 PolarHBondContact O-OG 3.32Å; S128-L132 WeakPolarHBondContact O-CB 3.47Å; S128-L132 PolarHBondContact O-N 2.85Å; S128-L132 VanDerWaalsContact O-N 3.1Å
129I80.9Confident74.1Confident87 Ų87115.5 Ų115.545%0.44660%0.604SS.*Hα-helixtrans-71-47.8174.6-71.7179.5000110.8Y125 Q126 W127 S131 L132Y125-I129 HydrophobicContact CD1-CD1 3.79Å; Y125-I129 HydrophobicContact CD1-CG1 4.49Å; Y125-I129 HydrophobicContact CE1-CD1 3.24Å; Y125-I129 HydrophobicContact CE1-CG1 4.19Å; Y125-I129 HydrophobicContact CE2-CD1 4.29Å; Y125-I129 HydrophobicContact CE2-CG1 4.49Å; Y125-I129 WeakPolarHBondContact O-CG1 3.41Å; Y125-I129 PolarHBondContact O-N 2.94Å; Q126-I129 PolarHBondContact O-N 2.9Å; W127-I129 VanDerWaalsContact C-N 3.29Å; W127-I129 PolarHBondContact O-N 2.82Å; I129-S131 PolarHBondContact O-N 2.93Å; I129-L132 VanDerWaalsContact O-CB 3.23Å; I129-L132 WeakPolarHBondContact O-CB 3.37Å; I129-L132 PolarHBondContact O-N 3.43Å
130E78.9Confident73.5Confident125 Ų125117 Ų11758%0.58461%0.607SS**Hα-helixtrans-62.8-31.2179.3-77.7-173.6-171.200112.4Q126 W127Q126-E130 PolarHBondContact O-N 3.18Å; W127-E130 PolarHBondContact O-N 3.48Å
131S73.1Confident73.5Confident65 Ų65121.4 Ų121.446%0.45563%0.625SS.*THydrogen-bonded Turntrans-85.7-9.2175.1610000114W127 S128 I129 G133 I134W127-S131 VanDerWaalsContact O-CB 3.31Å; W127-S131 WeakPolarHBondContact O-CB 3.21Å; W127-S131 PolarHBondContact O-N 3.21Å; W127-S131 PolarHBondContact O-OG 3.24Å; S128-S131 WeakPolarHBondContact CA-OG 3.48Å; S128-S131 PolarHBondContact O-OG 3.32Å; I129-S131 PolarHBondContact O-N 2.93Å; S131-G133 PolarHBondContact O-N 2.92Å; S131-G133 VanDerWaalsContact O-N 3.13Å; S131-I134 PolarHBondContact O-N 3.18Å
132L73.9Confident73.5Confident139 Ų139121.3 Ų121.373%0.72862%0.624SS**THydrogen-bonded Turntrans-68.5111.5-177.3-139.9130.1000109.7S128 I129S128-L132 WeakPolarHBondContact O-CB 3.47Å; S128-L132 PolarHBondContact O-N 2.85Å; S128-L132 VanDerWaalsContact O-N 3.1Å; I129-L132 VanDerWaalsContact O-CB 3.23Å; I129-L132 WeakPolarHBondContact O-CB 3.37Å; I129-L132 PolarHBondContact O-N 3.43Å
133G71.1Confident73.9Confident78 Ų78118.8 Ų118.880%0.80462%0.615SS**THydrogen-bonded Turntrans103.6-7-174.600000114.6S131 Q135S131-G133 PolarHBondContact O-N 2.92Å; S131-G133 VanDerWaalsContact O-N 3.13Å; G133-Q135 PolarHBondContact O-N 3.02Å
134I70.2Confident74.5Confident131 Ų131122 Ų12267%0.67263%0.631SS**  trans-93.492.8172.4-51179.8000108.4S131S131-I134 PolarHBondContact O-N 3.18Å
135Q63.6Low74.9Confident182 Ų182121.1 Ų121.185%0.8563%0.631SS**  trans-77.1132.9167.5-71.9-177.9-0.400109.3G133 A137G133-Q135 PolarHBondContact O-N 3.02Å; Q135-A137 PolarHBondContact O-N 2.97Å; Q135-A137 VanDerWaalsContact O-N 3.08Å
136R62.4Low75.4Confident242 Ų242118 Ų11891%0.91363%0.625SS**  trans-57.4116.4164.9-87-177.3166.1174.3-4.1107.6T138R136-T138 PolarHBondContact O-N 2.68Å
137A62.6Low75.8Confident68 Ų68117.5 Ų117.556%0.56262%0.621SS**  trans-57.2114.9175.300000108.6Q135 T139 E140Q135-A137 PolarHBondContact O-N 2.97Å; Q135-A137 VanDerWaalsContact O-N 3.08Å; A137-T139 PolarHBondContact O-N 3.02Å; A137-E140 HydrophobicContact CB-CG 4.21Å
138T60Low76.5Confident144 Ų144115.6 Ų115.688%0.88361%0.614SS**SBendtrans-69.3-19.7179.743.80000112.3R136R136-T138 PolarHBondContact O-N 2.68Å
139T60Low77Confident115 Ų115115.5 Ų115.571%0.70662%0.616SS**SBendtrans-137.586.4179.2-37.20000108.3A137 M141A137-T139 PolarHBondContact O-N 3.02Å; T139-M141 VanDerWaalsContact C-N 3.35Å; T139-M141 PolarHBondContact O-N 2.83Å
140E62.7Low77.5Confident155 Ų155114.1 Ų114.172%0.72461%0.609SS**  trans-66.495.6172.3-73.8-178.1168.900108.8A137 L142A137-E140 HydrophobicContact CB-CG 4.21Å; E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 3.47Å
141M73.5Confident78.2Confident163 Ų163113.6 Ų113.680%0.80361%0.606SS**  trans-65.797.2158.6-75.7-171.471.900107T139 S143T139-M141 VanDerWaalsContact C-N 3.35Å; T139-M141 PolarHBondContact O-N 2.83Å; M141-S143 PolarHBondContact O-N 2.88Å
142L82Confident79.2Confident71 Ų71112.3 Ų112.337%0.37259%0.594SS.*  trans-50135.5172-71165.1000109.6E140 D146 K147 L150E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 3.47Å; L142-D146 HydrophobicContact CB-CB 4.17Å; L142-D146 HydrophobicContact CD2-CB 3.92Å; L142-K147 HydrophobicContact CB-CG 3.75Å; L142-K147 WeakPolarHBondContact O-CE 3.48Å; L142-L150 HydrophobicContact CD1-CD2 4.14Å
143S90.7Very high80.2Confident55 Ų55106.9 Ų106.939%0.38557%0.566SS.*  trans-59.6160.1173.775.30000110.2M141 D145 D146 K147M141-S143 PolarHBondContact O-N 2.88Å; S143-D145 PolarHBondContact O-N 2.94Å; S143-D146 WeakPolarHBondContact CB-OD2 3.37Å; S143-D146 PolarHBondContact N-OD2 3.18Å; S143-D146 PolarHBondContact O-N 3.08Å; S143-D146 WeakPolarHBondContact OG-CB 3.4Å; S143-D146 PolarHBondContact OG-N 3.29Å; S143-D146 PolarHBondContact OG-OD2 3.31Å; S143-K147 WeakPolarHBondContact O-CG 3.25Å; S143-K147 PolarHBondContact O-N 2.9Å
144N92.2Very high81.3Confident135 Ų135108.4 Ų108.472%0.72255%0.552SS**Hα-helixtrans-60.2-33.3177.1-70.9-23.8000111.8R148N144-R148 WeakPolarHBondContact O-CB 3.21Å; N144-R148 PolarHBondContact O-N 3.41Å
145D90.7Very high82.4Confident100 Ų100105.1 Ų105.154%0.53554%0.538SS..Hα-helixtrans-70.6-41.2174.9-82-46.5000112.5S143 K147 R148 A149S143-D145 PolarHBondContact O-N 2.94Å; D145-K147 VanDerWaalsContact C-N 3.35Å; D145-K147 PolarHBondContact O-N 3.33Å; D145-R148 PolarHBondContact O-N 3.3Å; D145-R148 IonicContact OD1-CZ 3.74Å; D145-R148 IonicContact OD1-NE 2.99Å; D145-R148 PolarHBondContact OD1-NE 3.07Å; D145-R148 IonicContact OD1-NH2 3.32Å; D145-R148 PolarHBondContact OD1-NH2 3.01Å; D145-A149 WeakPolarHBondContact O-CB 3.27Å; D145-A149 PolarHBondContact O-N 3.33Å
146D90.7Very high83.7Confident86 Ų8697.5 Ų97.546%0.4650%0.504SS..Hα-helixtrans-64.8-40.7175.8-63.7-42.6000111.4L142 S143 R148 A149 L150L142-D146 HydrophobicContact CB-CB 4.17Å; L142-D146 HydrophobicContact CD2-CB 3.92Å; S143-D146 WeakPolarHBondContact CB-OD2 3.37Å; S143-D146 PolarHBondContact N-OD2 3.18Å; S143-D146 PolarHBondContact O-N 3.08Å; S143-D146 WeakPolarHBondContact OG-CB 3.4Å; S143-D146 PolarHBondContact OG-N 3.29Å; S143-D146 PolarHBondContact OG-OD2 3.31Å; D146-R148 VanDerWaalsContact C-N 3.34Å; D146-R148 PolarHBondContact O-N 3.34Å; D146-A149 PolarHBondContact O-N 3.14Å; D146-L150 VanDerWaalsContact O-CB 3.23Å; D146-L150 WeakPolarHBondContact O-CB 3.35Å; D146-L150 PolarHBondContact O-N 3.24Å
147K92.1Very high85.2Confident99 Ų9986.8 Ų86.843%0.4347%0.465SS..Hα-helixtrans-59.9-44.7173.6-72.5174.3-178164.40111.3L142 S143 D145 H151L142-K147 HydrophobicContact CB-CG 3.75Å; L142-K147 WeakPolarHBondContact O-CE 3.48Å; S143-K147 WeakPolarHBondContact O-CG 3.25Å; S143-K147 PolarHBondContact O-N 2.9Å; D145-K147 VanDerWaalsContact C-N 3.35Å; D145-K147 PolarHBondContact O-N 3.33Å; K147-H151 VanDerWaalsContact O-CB 3.28Å; K147-H151 WeakPolarHBondContact O-CB 3.3Å; K147-H151 PolarHBondContact O-N 3.05Å
148R93Very high86.4Confident140 Ų14089.6 Ų89.653%0.52846%0.461SS..Hα-helixtrans-63.3-46.8176.9-177.2179.465.491.6-0.9111.2N144 D145 D146 H151 I152N144-R148 WeakPolarHBondContact O-CB 3.21Å; N144-R148 PolarHBondContact O-N 3.41Å; D145-R148 PolarHBondContact O-N 3.3Å; D145-R148 IonicContact OD1-CZ 3.74Å; D145-R148 IonicContact OD1-NE 2.99Å; D145-R148 PolarHBondContact OD1-NE 3.07Å; D145-R148 IonicContact OD1-NH2 3.32Å; D145-R148 PolarHBondContact OD1-NH2 3.01Å; D146-R148 VanDerWaalsContact C-N 3.34Å; D146-R148 PolarHBondContact O-N 3.34Å; R148-H151 PolarHBondContact O-N 3.14Å; R148-I152 HydrophobicContact CG-CD1 4.24Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.25Å
149A91.8Very high87.5Confident45 Ų4587.6 Ų87.637%0.37244%0.44SS..Hα-helixtrans-61.8-45.8178.300000111.6D145 D146 H151 I152 L153D145-A149 WeakPolarHBondContact O-CB 3.27Å; D145-A149 PolarHBondContact O-N 3.33Å; D146-A149 PolarHBondContact O-N 3.14Å; A149-H151 PolarHBondContact O-N 2.93Å; A149-I152 WeakPolarHBondContact O-CB 3.34Å; A149-I152 PolarHBondContact O-N 3.42Å; A149-L153 WeakPolarHBondContact O-CG 3.46Å; A149-L153 PolarHBondContact O-N 3.02Å
150L92.3Very high88.3Confident59 Ų5985.3 Ų85.331%0.30943%0.426SS..Hα-helixtrans-63.1-41.7176.5-173.265.4000111.7L142 D146 I152 L153 Q154 Y210L142-L150 HydrophobicContact CD1-CD2 4.14Å; D146-L150 VanDerWaalsContact O-CB 3.23Å; D146-L150 WeakPolarHBondContact O-CB 3.35Å; D146-L150 PolarHBondContact O-N 3.24Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.83Å; L150-L153 PolarHBondContact O-N 2.97Å; L150-Q154 HydrophobicContact CG-CG 4.44Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 VanDerWaalsContact O-CG 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.48Å; L150-Q154 PolarHBondContact O-N 2.94Å; L150-Y210 HydrophobicContact CD1-CD2 4.24Å; L150-Y210 HydrophobicContact CD1-CE2 3.96Å
151H94.4Very high88.7Confident113 Ų11384.8 Ų84.852%0.52343%0.429SS..Hα-helixtrans-61.4-41.7175-178.272.2000111.9K147 R148 A149 Q154 T155K147-H151 VanDerWaalsContact O-CB 3.28Å; K147-H151 WeakPolarHBondContact O-CB 3.3Å; K147-H151 PolarHBondContact O-N 3.05Å; R148-H151 PolarHBondContact O-N 3.14Å; A149-H151 PolarHBondContact O-N 2.93Å; H151-Q154 PolarHBondContact O-N 3.02Å; H151-T155 WeakPolarHBondContact O-CB 3.27Å; H151-T155 VanDerWaalsContact O-CG2 3.29Å; H151-T155 WeakPolarHBondContact O-CG2 3.36Å; H151-T155 PolarHBondContact O-N 3.32Å; H151-T155 PolarHBondContact O-OG1 2.88Å
152I93.5Very high88.6Confident39 Ų3977.4 Ų77.420%0.240%0.395CS..Hα-helixtrans-59.8-51.6173.4-68.3163.6000109.6R148 A149 L150 Q154 T155 T156 T169R148-I152 HydrophobicContact CG-CD1 4.24Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.25Å; A149-I152 WeakPolarHBondContact O-CB 3.34Å; A149-I152 PolarHBondContact O-N 3.42Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.83Å; I152-Q154 PolarHBondContact O-N 3.19Å; I152-T155 PolarHBondContact O-N 2.75Å; I152-T155 PolarHBondContact O-OG1 3.31Å; I152-T156 HydrophobicContact CG2-CG2 4.04Å; I152-T156 WeakPolarHBondContact O-CB 3.46Å; I152-T156 VanDerWaalsContact O-CG2 3.31Å; I152-T156 WeakPolarHBondContact O-CG2 3.33Å; I152-T156 PolarHBondContact O-N 2.69Å; I152-T156 PolarHBondContact O-OG1 2.83Å; I152-T169 HydrophobicContact CD1-CG2 3.94Å; I152-T169 HydrophobicContact CG1-CG2 4.06Å; I152-T169 HydrophobicContact CG2-CG2 3.82Å
153L94.6Very high88.5Confident25 Ų2577.2 Ų77.213%0.13140%0.396CS..Hα-helixtrans-56.1-47.8179.2-73170.7000112.3A149 L150 T157 V166 V207 Y210A149-L153 WeakPolarHBondContact O-CG 3.46Å; A149-L153 PolarHBondContact O-N 3.02Å; L150-L153 PolarHBondContact O-N 2.97Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 PolarHBondContact O-N 3.42Å; L153-T157 VanDerWaalsContact O-N 3.07Å; L153-T157 PolarHBondContact O-OG1 3.42Å; L153-V166 HydrophobicContact CD2-CG1 3.92Å; L153-V207 HydrophobicContact CD2-CB 4.45Å; L153-V207 HydrophobicContact CD2-CG1 4.14Å; L153-V207 HydrophobicContact CD2-CG2 4.05Å; L153-Y210 HydrophobicContact CB-CD1 3.96Å; L153-Y210 HydrophobicContact CB-CD2 4.2Å; L153-Y210 HydrophobicContact CB-CE1 3.83Å; L153-Y210 HydrophobicContact CB-CE2 4.06Å; L153-Y210 HydrophobicContact CB-CG 4.15Å; L153-Y210 HydrophobicContact CD1-CD1 4.31Å; L153-Y210 HydrophobicContact CD1-CD2 3.95Å; L153-Y210 HydrophobicContact CD1-CG 3.79Å; L153-Y210 HydrophobicContact CD2-CD1 3.98Å; L153-Y210 HydrophobicContact CD2-CG 4.25Å; L153-Y210 HydrophobicContact CG-CD1 4.32Å; L153-Y210 HydrophobicContact CG-CG 4.3Å
154Q93.4Very high88.3Confident110 Ų11076.1 Ų76.151%0.51439%0.385SS..Hα-helixtrans-63.8-42.3179.2-72.6173.3-14.800112.4L150 H151 I152 Y210L150-Q154 HydrophobicContact CG-CG 4.44Å; L150-Q154 WeakPolarHBondContact O-CB 3.45Å; L150-Q154 VanDerWaalsContact O-CG 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.48Å; L150-Q154 PolarHBondContact O-N 2.94Å; H151-Q154 PolarHBondContact O-N 3.02Å; I152-Q154 PolarHBondContact O-N 3.19Å; Q154-Y210 WeakPolarHBondContact CA-OH 2.92Å; Q154-Y210 WeakPolarHBondContact CG-OH 3.46Å
155T93.2Very high88.1Confident62 Ų6272 Ų7238%0.3836%0.363SS..Hα-helixtrans-81-28.6-175.755.40000113.5H151 I152 R158H151-T155 WeakPolarHBondContact O-CB 3.27Å; H151-T155 VanDerWaalsContact O-CG2 3.29Å; H151-T155 WeakPolarHBondContact O-CG2 3.36Å; H151-T155 PolarHBondContact O-N 3.32Å; H151-T155 PolarHBondContact O-OG1 2.88Å; I152-T155 PolarHBondContact O-N 2.75Å; I152-T155 PolarHBondContact O-OG1 3.31Å; T155-R158 VanDerWaalsContact O-CZ 3.26Å; T155-R158 PolarHBondContact O-NH1 2.99Å; T155-R158 PolarHBondContact O-NH2 3.18Å
156T92.8Very high88.2Confident22 Ų2267.7 Ų67.714%0.13534%0.341CS..Hα-helixtrans-101.2-19.7-174.169.40000114.8I152 R158 R167I152-T156 HydrophobicContact CG2-CG2 4.04Å; I152-T156 WeakPolarHBondContact O-CB 3.46Å; I152-T156 VanDerWaalsContact O-CG2 3.31Å; I152-T156 WeakPolarHBondContact O-CG2 3.33Å; I152-T156 PolarHBondContact O-N 2.69Å; I152-T156 PolarHBondContact O-OG1 2.83Å; T156-R158 PolarHBondContact O-N 2.85Å; T156-R167 WeakPolarHBondContact CB-O 3.37Å; T156-R167 HydrophobicContact CG2-CB 4.42Å; T156-R167 PolarHBondContact O-N 3.36Å; T156-R167 PolarHBondContact OG1-O 2.84Å
157T93.2Very high88.3Confident16 Ų1670.9 Ų70.910%0.09835%0.346CS..EExtended strand (participates in β ladder)trans-66.7125.5177.6-59.90000110.3L153 M164 N165 V166 Y210L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 PolarHBondContact O-N 3.42Å; L153-T157 VanDerWaalsContact O-N 3.07Å; L153-T157 PolarHBondContact O-OG1 3.42Å; T157-M164 HydrophobicContact CG2-CE 3.43Å; T157-M164 VanDerWaalsContact CG2-CE 3.43Å; T157-M164 HydrophobicContact CG2-SD 3.93Å; T157-N165 WeakPolarHBondContact CA-O 3.26Å; T157-V166 HydrophobicContact CG2-CG2 4.42Å; T157-Y210 HydrophobicContact CG2-CE1 4.4Å; T157-Y210 WeakPolarHBondContact OG1-CE1 2.85Å
158R87.9Confident88.3Confident127 Ų12767 Ų6748%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-140.3136.3178.6-66.8-67.4-176.9-76.1-6.7110.1T155 T156 N165T155-R158 VanDerWaalsContact O-CZ 3.26Å; T155-R158 PolarHBondContact O-NH1 2.99Å; T155-R158 PolarHBondContact O-NH2 3.18Å; T156-R158 PolarHBondContact O-N 2.85Å; R158-N165 PolarHBondContact N-O 3.34Å; R158-N165 PolarHBondContact O-N 3.08Å
159K81.9Confident88.3Confident102 Ų10262.1 Ų62.144%0.44332%0.316SS..EExtended strand (participates in β ladder)trans-82.6120.6171.9-163.7171.7-177.4172.90109.7V163 M164K159-V163 WeakPolarHBondContact CA-O 3.46Å; K159-M164 HydrophobicContact CB-SD 3.89Å; K159-M164 HydrophobicContact CG-SD 4.3Å
160T78.2Confident88.2Confident67 Ų6769 Ų6941%0.41134%0.338SS..EExtended strand (participates in β ladder)trans-128.5123.1176.3-46.20000108.4G162 V163 N165T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 2.91Å; T160-V163 PolarHBondContact N-O 3.42Å; T160-V163 PolarHBondContact O-N 3.5Å; T160-V163 VanDerWaalsContact O-O 3.09Å; T160-N165 WeakPolarHBondContact CB-ND2 3.25Å; T160-N165 PolarHBondContact OG1-ND2 3.29Å
161N70.8Confident88.2Confident145 Ų14570 Ų7078%0.77536%0.355SS*.THydrogen-bonded Turntrans51.741.7-179.8-58-15.7000113.7V163N161-V163 PolarHBondContact O-N 2.69Å
162G71.8Confident88Confident8 Ų868 Ų688%0.08235%0.348CS..THydrogen-bonded Turntrans82.6-22.5-178.200000114.8T160 A263T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 2.91Å; G162-A263 VanDerWaalsContact O-CB 3.27Å; G162-A263 WeakPolarHBondContact O-CB 3.49Å
163V80.3Confident88Confident66 Ų6668 Ų6840%0.435%0.347SS..EExtended strand (participates in β ladder)trans-92.5136-178.3-174.60000111.1K159 T160 N161K159-V163 WeakPolarHBondContact CA-O 3.46Å; T160-V163 PolarHBondContact N-O 3.42Å; T160-V163 PolarHBondContact O-N 3.5Å; T160-V163 VanDerWaalsContact O-O 3.09Å; N161-V163 PolarHBondContact O-N 2.69Å
164M85.4Confident87.8Confident32 Ų3269.6 Ų69.616%0.15836%0.364CS..EExtended strand (participates in β ladder)trans-81.7117.8174.7-75-77.4-97.600110.5T157 K159 V211 R214T157-M164 HydrophobicContact CG2-CE 3.43Å; T157-M164 VanDerWaalsContact CG2-CE 3.43Å; T157-M164 HydrophobicContact CG2-SD 3.93Å; K159-M164 HydrophobicContact CB-SD 3.89Å; K159-M164 HydrophobicContact CG-SD 4.3Å; M164-V211 HydrophobicContact CB-CG1 3.49Å; M164-V211 VanDerWaalsContact CB-CG1 3.49Å; M164-V211 HydrophobicContact CG-CG1 4.15Å; M164-R214 HydrophobicContact CE-CB 3.99Å; M164-R214 HydrophobicContact CE-CG 3.38Å
165N89.3Confident87.7Confident49 Ų4972.1 Ų72.126%0.26238%0.378SS..EExtended strand (participates in β ladder)trans-108.2129.1177.3-67.8-44.4000110.1T157 R158 T160 V196T157-N165 WeakPolarHBondContact CA-O 3.26Å; R158-N165 PolarHBondContact N-O 3.34Å; R158-N165 PolarHBondContact O-N 3.08Å; T160-N165 WeakPolarHBondContact CB-ND2 3.25Å; T160-N165 PolarHBondContact OG1-ND2 3.29Å; N165-V196 HydrophobicContact CB-CG1 4.01Å
166V92.2Very high87.6Confident10 Ų1071.3 Ų71.36%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-102.5117.6173-1770000108.4L153 T157 V196 H197 V207 V211L153-V166 HydrophobicContact CD2-CG1 3.92Å; T157-V166 HydrophobicContact CG2-CG2 4.42Å; V166-V196 CarbonylContact O-C 3.58Å; V166-V196 WeakPolarHBondContact O-CA 3.27Å; V166-V196 WeakPolarHBondContact O-CG1 3.43Å; V166-H197 HydrophobicContact CB-CB 4.2Å; V166-H197 PolarHBondContact O-N 3.27Å; V166-V207 HydrophobicContact CB-CG1 4Å; V166-V207 HydrophobicContact CG1-CG1 4.08Å; V166-V207 HydrophobicContact CG2-CG1 3.73Å; V166-V211 HydrophobicContact CG2-CG2 3.53Å
167R92.8Very high87.6Confident153 Ų15372.4 Ų72.458%0.57738%0.38SS*.BIsolated β-bridgetrans-78.2140.6-179.6-59.6179.5172.9175-2111.5T156 R195T156-R167 WeakPolarHBondContact CB-O 3.37Å; T156-R167 HydrophobicContact CG2-CB 4.42Å; T156-R167 PolarHBondContact O-N 3.36Å; T156-R167 PolarHBondContact OG1-O 2.84Å; R167-R195 VanDerWaalsContact CA-O 3.3Å; R167-R195 WeakPolarHBondContact CA-O 3.42Å
168V92.4Very high87.6Confident18 Ų1875 Ų7511%0.10939%0.39CS..PPolyproline II helixtrans-78.6132.8170.7-178.60000108.3D172 Q173 L176 R195V168-D172 HydrophobicContact CG1-CB 3.82Å; V168-Q173 HydrophobicContact CB-CG 4.09Å; V168-Q173 HydrophobicContact CG1-CG 3.9Å; V168-Q173 PolarHBondContact O-NE2 3.14Å; V168-L176 HydrophobicContact CG1-CD1 4.11Å; V168-L176 HydrophobicContact CG2-CD1 3.8Å; V168-R195 PolarHBondContact N-O 2.96Å
169T91.6Very high87.9Confident36 Ų3674.6 Ų74.622%0.22140%0.396CS..PPolyproline II helixtrans-61.7149-179.783.80000110.3I152 A171 D172 Q173I152-T169 HydrophobicContact CD1-CG2 3.94Å; I152-T169 HydrophobicContact CG1-CG2 4.06Å; I152-T169 HydrophobicContact CG2-CG2 3.82Å; T169-A171 PolarHBondContact O-N 2.86Å; T169-A171 VanDerWaalsContact O-N 3.11Å; T169-D172 PolarHBondContact O-N 3.4Å; T169-D172 PolarHBondContact OG1-N 2.88Å; T169-D172 PolarHBondContact OG1-OD2 3.03Å; T169-Q173 WeakPolarHBondContact O-CG 3.3Å; T169-Q173 PolarHBondContact O-N 3.41Å; T169-Q173 VanDerWaalsContact O-N 3.09Å
170K91Very high88.4Confident190 Ų19076.6 Ų76.683%0.82640%0.401SS*.THydrogen-bonded Turntrans-56.6-31.5-178.8-73.3-172.2178.3-179.30113.1
171A90.9Very high88.9Confident81 Ų8177.2 Ų77.267%0.66941%0.406SS*.THydrogen-bonded Turntrans-69.1-35.9177.800000112.2T169T169-A171 PolarHBondContact O-N 2.86Å; T169-A171 VanDerWaalsContact O-N 3.11Å
172D91Very high89.7Confident71 Ų7176.5 Ų76.538%0.3840%0.396SS..THydrogen-bonded Turntrans-88.7-16-175.9-54.7-41.4000113.1V168 T169 A174 M175V168-D172 HydrophobicContact CG1-CB 3.82Å; T169-D172 PolarHBondContact O-N 3.4Å; T169-D172 PolarHBondContact OG1-N 2.88Å; T169-D172 PolarHBondContact OG1-OD2 3.03Å; D172-A174 PolarHBondContact O-N 3.3Å; D172-M175 WeakPolarHBondContact O-CB 3.13Å; D172-M175 PolarHBondContact O-N 2.98Å
173Q93.2Very high90.4Very high37 Ų3780.8 Ų80.817%0.17342%0.423CS..G310 helixtrans-57.1-34.3-177.2-79.8177.523.700113.5V168 T169 M175 L176 N193 M194V168-Q173 HydrophobicContact CB-CG 4.09Å; V168-Q173 HydrophobicContact CG1-CG 3.9Å; V168-Q173 PolarHBondContact O-NE2 3.14Å; T169-Q173 WeakPolarHBondContact O-CG 3.3Å; T169-Q173 PolarHBondContact O-N 3.41Å; T169-Q173 VanDerWaalsContact O-N 3.09Å; Q173-M175 PolarHBondContact O-N 3.17Å; Q173-L176 CarbonylContact O-C 3.48Å; Q173-L176 PolarHBondContact O-N 2.89Å; Q173-L176 VanDerWaalsContact O-N 3.08Å; Q173-N193 HydrophobicContact CB-CB 4.1Å; Q173-N193 WeakPolarHBondContact O-CB 3.38Å; Q173-M194 WeakPolarHBondContact CG-O 3.18Å
174A91Very high90.7Very high60 Ų6086.1 Ų86.150%0.49645%0.449SS..G310 helixtrans-63.1-27.3178.400000112.8D172 L176 S177D172-A174 PolarHBondContact O-N 3.3Å; A174-L176 PolarHBondContact O-N 3.44Å; A174-S177 PolarHBondContact O-OG 3.48Å
175M90.6Very high90.8Very high163 Ų16387.1 Ų87.180%0.80346%0.46SS*.G310 helixtrans-74.4-17.3177.3-57.1-60.7163.100112.5D172 Q173D172-M175 WeakPolarHBondContact O-CB 3.13Å; D172-M175 PolarHBondContact O-N 2.98Å; Q173-M175 PolarHBondContact O-N 3.17Å
176L92Very high90.7Very high44 Ų4493.2 Ų93.223%0.2349%0.492CS..G310 helixtrans-112.744.6178.6-57.4-179.6000110.9V168 Q173 A174 M194 I198V168-L176 HydrophobicContact CG1-CD1 4.11Å; V168-L176 HydrophobicContact CG2-CD1 3.8Å; Q173-L176 CarbonylContact O-C 3.48Å; Q173-L176 PolarHBondContact O-N 2.89Å; Q173-L176 VanDerWaalsContact O-N 3.08Å; A174-L176 PolarHBondContact O-N 3.44Å; L176-M194 HydrophobicContact CB-CB 3.76Å; L176-M194 HydrophobicContact CB-CG 4.12Å; L176-M194 HydrophobicContact CD1-CB 4.29Å; L176-M194 WeakPolarHBondContact O-CG 3.27Å; L176-M194 PolarHBondContact O-N 2.83Å; L176-I198 HydrophobicContact CD1-CG1 4.42Å; L176-I198 HydrophobicContact CD2-CD1 3.75Å; L176-I198 HydrophobicContact CD2-CG1 4.33Å
177S92.7Very high90.7Very high46 Ų4695.7 Ų95.732%0.32251%0.507SS..EExtended strand (participates in β ladder)trans-82143.2176.3-54.50000110.9A174 H191 F192 N193A174-S177 PolarHBondContact O-OG 3.48Å; S177-H191 WeakPolarHBondContact CB-NE2 3.39Å; S177-F192 CarbonylContact C-O 3.58Å; S177-F192 VanDerWaalsContact CA-O 3.27Å; S177-F192 WeakPolarHBondContact CA-O 3.3Å; S177-N193 PolarHBondContact OG-OD1 3.37Å
178F92.6Very high90.5Very high69 Ų6994 Ų9430%0.30352%0.516SS..EExtended strand (participates in β ladder)trans-141152.7175.566.9-80.9000110.7W180 F192 M194F178-W180 HydrophobicContact CD2-CB 4.16Å; F178-W180 HydrophobicContact CE2-CB 3.94Å; F178-W180 HydrophobicContact CE2-CE3 4.37Å; F178-F192 HydrophobicContact CD1-CB 4.17Å; F178-F192 WeakPolarHBondContact CD1-O 3.41Å; F178-F192 HydrophobicContact CD2-CB 4.44Å; F178-F192 HydrophobicContact CE1-CB 3.64Å; F178-F192 HydrophobicContact CE2-CB 3.95Å; F178-F192 HydrophobicContact CE2-CD2 4.34Å; F178-F192 HydrophobicContact CE2-CG 4.45Å; F178-F192 HydrophobicContact CZ-CB 3.52Å; F178-F192 HydrophobicContact CZ-CG 4.27Å; F178-F192 PolarHBondContact N-O 3.45Å; F178-F192 PolarHBondContact O-N 2.91Å; F178-M194 HydrophobicContact CD1-CE 3.72Å; F178-M194 HydrophobicContact CD1-CG 4Å; F178-M194 HydrophobicContact CD1-SD 4.09Å; F178-M194 HydrophobicContact CE1-CE 3.69Å; F178-M194 HydrophobicContact CE1-CG 4.01Å; F178-M194 HydrophobicContact CE1-SD 3.65Å; F178-M194 HydrophobicContact CG-CE 4.31Å; F178-M194 HydrophobicContact CZ-CE 4.25Å; F178-M194 HydrophobicContact CZ-SD 4.41Å
179L93.7Very high90.4Very high119 Ų11997 Ų9762%0.62354%0.535SS*.EExtended strand (participates in β ladder)trans-96.4128.6175.8-67.7178.3000109V189 G190 H191L179-V189 HydrophobicContact CB-CG1 3.7Å; L179-V189 HydrophobicContact CD2-CG1 4.25Å; L179-V189 HydrophobicContact CG-CG1 4.42Å; L179-G190 CarbonylContact C-O 3.6Å; L179-G190 WeakPolarHBondContact CA-O 3.48Å; L179-H191 HydrophobicContact CD2-CB 4.18Å
180W92.4Very high90.4Very high144 Ų14496.3 Ų96.355%0.54553%0.534SS..EExtended strand (participates in β ladder)trans-128.6107179.4-172.7-91.6000111.1F178 G190 F192F178-W180 HydrophobicContact CD2-CB 4.16Å; F178-W180 HydrophobicContact CE2-CB 3.94Å; F178-W180 HydrophobicContact CE2-CE3 4.37Å; W180-G190 PolarHBondContact N-O 3.34Å; W180-G190 PolarHBondContact O-N 3.3Å; W180-F192 HydrophobicContact CB-CD2 3.69Å; W180-F192 HydrophobicContact CB-CE2 3.75Å
181P89.7Confident90.5Very high80 Ų8093.2 Ų93.252%0.51952%0.522SS..PPolyproline II helixtrans-74.6135171.129.8-31000109.5P183 V189P181-P183 WeakPolarHBondContact O-CD 3.44Å; P181-V189 HydrophobicContact CB-CG2 4.42Å
182K87.8Confident90.6Very high130 Ų13094 Ų9457%0.56551%0.511SS*.PPolyproline II helixtrans-68.9126.1170-75.3-176.1-178.2176.50108.6N184 S185K182-N184 PolarHBondContact O-N 2.98Å; K182-S185 PolarHBondContact O-N 3.34Å
183P86.6Confident90.8Very high99 Ų9993.5 Ų93.564%0.64351%0.508SS*.THydrogen-bonded Turntrans-56.4136.7175.8-21.731.3000110.5P181 S185P181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-S185 VanDerWaalsContact C-N 3.3Å; P183-S185 PolarHBondContact O-N 2.96Å
184N86.5Confident90.8Very high178 Ų17895 Ų9595%0.95252%0.516SS*.THydrogen-bonded Turntrans57.135.4176-52.6-31.3000114.7K182K182-N184 PolarHBondContact O-N 2.98Å
185S87.5Confident90.9Very high53 Ų53101 Ų10137%0.37153%0.525SS..  trans-136.5134.1178.4-171.20000111.3K182 P183 T187K182-S185 PolarHBondContact O-N 3.34Å; P183-S185 VanDerWaalsContact C-N 3.3Å; P183-S185 PolarHBondContact O-N 2.96Å; S185-T187 PolarHBondContact O-N 3.47Å; S185-T187 VanDerWaalsContact OG-CG2 3.3Å; S185-T187 WeakPolarHBondContact OG-CG2 3.44Å; S185-T187 PolarHBondContact OG-N 3.44Å; S185-T187 PolarHBondContact OG-OG1 2.88Å
186D87.4Confident91Very high177 Ų17795.9 Ų95.995%0.94750%0.503SS*.  trans-75.78.4173.5-63-36000113
187T90.4Very high91Very high61 Ų6196 Ų9637%0.37450%0.503SS..SBendtrans-65.3142.1176.554.70000110.8S185S185-T187 PolarHBondContact O-N 3.47Å; S185-T187 VanDerWaalsContact OG-CG2 3.3Å; S185-T187 WeakPolarHBondContact OG-CG2 3.44Å; S185-T187 PolarHBondContact OG-N 3.44Å; S185-T187 PolarHBondContact OG-OG1 2.88Å
188P89Confident90.8Very high118 Ų11896.4 Ų96.477%0.76650%0.501SS*.PPolyproline II helixtrans-50.1145172.4-26.934000112.2G190P188-G190 PolarHBondContact O-N 2.99Å
189V91Very high90.4Very high82 Ų82102.4 Ų102.450%0.49753%0.527SS..PPolyproline II helixtrans-56.6123.1179.3-175.90000109.4L179 P181L179-V189 HydrophobicContact CB-CG1 3.7Å; L179-V189 HydrophobicContact CD2-CG1 4.25Å; L179-V189 HydrophobicContact CG-CG1 4.42Å; P181-V189 HydrophobicContact CB-CG2 4.42Å
190G90.9Very high89.9Confident20 Ų20100.5 Ų100.521%0.20654%0.536CS..EExtended strand (participates in β ladder)trans-74.2138.3-178.300000111.2L179 W180 P188 F192L179-G190 CarbonylContact C-O 3.6Å; L179-G190 WeakPolarHBondContact CA-O 3.48Å; W180-G190 PolarHBondContact N-O 3.34Å; W180-G190 PolarHBondContact O-N 3.3Å; P188-G190 PolarHBondContact O-N 2.99Å; G190-F192 WeakPolarHBondContact O-CD2 3.28Å
191H93.6Very high89.6Confident126 Ų12695 Ų9558%0.58352%0.521SS*.EExtended strand (participates in β ladder)trans-100.6117.7174.1-175.4-108.1000109.4S177 L179S177-H191 WeakPolarHBondContact CB-NE2 3.39Å; L179-H191 HydrophobicContact CD2-CB 4.18Å
192F93.9Very high89.5Confident98 Ų9896.4 Ų96.443%0.4354%0.54SS..EExtended strand (participates in β ladder)trans-128.4149.4-173.5-62.7-83.1000111.1S177 F178 W180 G190S177-F192 CarbonylContact C-O 3.58Å; S177-F192 VanDerWaalsContact CA-O 3.27Å; S177-F192 WeakPolarHBondContact CA-O 3.3Å; F178-F192 HydrophobicContact CD1-CB 4.17Å; F178-F192 WeakPolarHBondContact CD1-O 3.41Å; F178-F192 HydrophobicContact CD2-CB 4.44Å; F178-F192 HydrophobicContact CE1-CB 3.64Å; F178-F192 HydrophobicContact CE2-CB 3.95Å; F178-F192 HydrophobicContact CE2-CD2 4.34Å; F178-F192 HydrophobicContact CE2-CG 4.45Å; F178-F192 HydrophobicContact CZ-CB 3.52Å; F178-F192 HydrophobicContact CZ-CG 4.27Å; F178-F192 PolarHBondContact N-O 3.45Å; F178-F192 PolarHBondContact O-N 2.91Å; W180-F192 HydrophobicContact CB-CD2 3.69Å; W180-F192 HydrophobicContact CB-CE2 3.75Å; G190-F192 WeakPolarHBondContact O-CD2 3.28Å
193N94.3Very high89.5Confident60 Ų6093.6 Ų93.632%0.32154%0.536SS..EExtended strand (participates in β ladder)trans-113.3135.8176.1-60.43.2000109.7Q173 S177 R195Q173-N193 HydrophobicContact CB-CB 4.1Å; Q173-N193 WeakPolarHBondContact O-CB 3.38Å; S177-N193 PolarHBondContact OG-OD1 3.37Å; N193-R195 PolarHBondContact O-N 3.1Å
194M93.4Very high89.6Confident68 Ų6889.4 Ų89.434%0.33551%0.509SS..  trans-65.4125.7175.3-67.7-69.8-172.200110.5Q173 L176 F178 I198Q173-M194 WeakPolarHBondContact CG-O 3.18Å; L176-M194 HydrophobicContact CB-CB 3.76Å; L176-M194 HydrophobicContact CB-CG 4.12Å; L176-M194 HydrophobicContact CD1-CB 4.29Å; L176-M194 WeakPolarHBondContact O-CG 3.27Å; L176-M194 PolarHBondContact O-N 2.83Å; F178-M194 HydrophobicContact CD1-CE 3.72Å; F178-M194 HydrophobicContact CD1-CG 4Å; F178-M194 HydrophobicContact CD1-SD 4.09Å; F178-M194 HydrophobicContact CE1-CE 3.69Å; F178-M194 HydrophobicContact CE1-CG 4.01Å; F178-M194 HydrophobicContact CE1-SD 3.65Å; F178-M194 HydrophobicContact CG-CE 4.31Å; F178-M194 HydrophobicContact CZ-CE 4.25Å; F178-M194 HydrophobicContact CZ-SD 4.41Å; M194-I198 HydrophobicContact CB-CG2 4.06Å; M194-I198 HydrophobicContact CE-CG2 4.1Å; M194-I198 HydrophobicContact CG-CG2 3.63Å; M194-I198 HydrophobicContact SD-CG2 3.9Å
195R92.9Very high89.6Confident185 Ų18585.5 Ų85.570%0.69849%0.487SS*.  trans-94.9-15.6177.7-66.3-177.6175.7-1790.3113.5R167 V168 N193R167-R195 VanDerWaalsContact CA-O 3.3Å; R167-R195 WeakPolarHBondContact CA-O 3.42Å; V168-R195 PolarHBondContact N-O 2.96Å; N193-R195 PolarHBondContact O-N 3.1Å
196V92.5Very high89.7Confident56 Ų5686.9 Ų86.934%0.33950%0.497SS..BIsolated β-bridgetrans-123.4149.2-178.8-178.40000107.7N165 V166 I198N165-V196 HydrophobicContact CB-CG1 4.01Å; V166-V196 CarbonylContact O-C 3.58Å; V166-V196 WeakPolarHBondContact O-CA 3.27Å; V166-V196 WeakPolarHBondContact O-CG1 3.43Å; V196-I198 PolarHBondContact O-N 2.99Å
197H91.4Very high89.9Confident48 Ų4879.3 Ų79.322%0.22246%0.457CS..PPolyproline II helixtrans-54.8136.8179.4-160.4-64.2000111.3V166 C203 S204V166-H197 HydrophobicContact CB-CB 4.2Å; V166-H197 PolarHBondContact O-N 3.27Å; H197-C203 PolarHBondContact NE2-SG 3.03Å; H197-S204 WeakPolarHBondContact CE1-CA 3.42Å; H197-S204 PolarHBondContact CE1-OG 2.73Å; H197-S204 VanDerWaalsContact CE1-OG 3.31Å
198I89.4Confident89.8Confident53 Ų5379.7 Ų79.727%0.27246%0.462SS..PPolyproline II helixtrans-97.1165.4179.860.6166.9000111.9L176 M194 V196 A201 S204L176-I198 HydrophobicContact CD1-CG1 4.42Å; L176-I198 HydrophobicContact CD2-CD1 3.75Å; L176-I198 HydrophobicContact CD2-CG1 4.33Å; M194-I198 HydrophobicContact CB-CG2 4.06Å; M194-I198 HydrophobicContact CE-CG2 4.1Å; M194-I198 HydrophobicContact CG-CG2 3.63Å; M194-I198 HydrophobicContact SD-CG2 3.9Å; V196-I198 PolarHBondContact O-N 2.99Å; I198-A201 HydrophobicContact CD1-CB 4.48Å; I198-A201 HydrophobicContact CG1-CB 4.1Å; I198-S204 PolarHBondContact O-OG 3.2Å
199F84Confident89.8Confident195 Ų19576 Ų7686%0.85544%0.437SS*.THydrogen-bonded Turntrans-76148.6166.2-63.3-76.6000110.8A201F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.87Å
200G83.3Confident89.8Confident80 Ų8074.1 Ų74.183%0.82542%0.421SS*.THydrogen-bonded Turntrans81.2-2.3172.200000116.2S204G200-S204 PolarHBondContact N-OG 2.86Å
201A86.2Confident89.8Confident27 Ų2774.5 Ų74.522%0.22342%0.42CS..  trans-66.8149.2166.800000110.6I198 F199 C203 S204I198-A201 HydrophobicContact CD1-CB 4.48Å; I198-A201 HydrophobicContact CG1-CB 4.1Å; F199-A201 VanDerWaalsContact C-N 3.32Å; F199-A201 PolarHBondContact O-N 2.87Å; A201-C203 PolarHBondContact O-N 3.37Å; A201-C203 VanDerWaalsContact O-N 3.16Å; A201-S204 WeakPolarHBondContact CA-OG 3.29Å; A201-S204 WeakPolarHBondContact CB-OG 3.41Å; A201-S204 PolarHBondContact N-OG 2.82Å; A201-S204 WeakPolarHBondContact O-CB 3.32Å; A201-S204 PolarHBondContact O-N 3.07Å; A201-S204 PolarHBondContact O-OG 3.31Å
202A86.9Confident89.7Confident111 Ų11170.1 Ų70.192%0.91740%0.401SS*.THydrogen-bonded Turntrans-56.4-35-177.600000113.3
203C87.5Confident89.6Confident70 Ų7070.4 Ų70.447%0.47340%0.399SS..THydrogen-bonded Turntrans-84.5-3.817755.70000114.5H197 A201 L205 S206 V207H197-C203 PolarHBondContact NE2-SG 3.03Å; A201-C203 PolarHBondContact O-N 3.37Å; A201-C203 VanDerWaalsContact O-N 3.16Å; C203-L205 PolarHBondContact O-N 2.61Å; C203-S206 PolarHBondContact O-N 3.09Å; C203-V207 VanDerWaalsContact O-CG2 3.26Å; C203-V207 WeakPolarHBondContact O-CG2 3.41Å; C203-V207 PolarHBondContact O-N 2.83Å; C203-V207 VanDerWaalsContact O-N 3.1Å
204S89.2Confident89.4Confident12 Ų1272 Ų728%0.08440%0.4CS..Hα-helixtrans-57.1-37.9-175.8-50.30000112.1H197 I198 G200 A201 V207 C208H197-S204 WeakPolarHBondContact CE1-CA 3.42Å; H197-S204 PolarHBondContact CE1-OG 2.73Å; H197-S204 VanDerWaalsContact CE1-OG 3.31Å; I198-S204 PolarHBondContact O-OG 3.2Å; G200-S204 PolarHBondContact N-OG 2.86Å; A201-S204 WeakPolarHBondContact CA-OG 3.29Å; A201-S204 WeakPolarHBondContact CB-OG 3.41Å; A201-S204 PolarHBondContact N-OG 2.82Å; A201-S204 WeakPolarHBondContact O-CB 3.32Å; A201-S204 PolarHBondContact O-N 3.07Å; A201-S204 PolarHBondContact O-OG 3.31Å; S204-V207 PolarHBondContact O-N 2.85Å; S204-C208 WeakPolarHBondContact O-CB 3.49Å; S204-C208 PolarHBondContact O-N 3.01Å; S204-C208 PolarHBondContact O-SG 3.48Å
205L88Confident89.2Confident95 Ų9569.8 Ų69.850%0.49739%0.391SS..Hα-helixtrans-62.5-48.6-177.4-141.964.3000111.5C203 V207 C208 T209 V236C203-L205 PolarHBondContact O-N 2.61Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 3.35Å; L205-C208 PolarHBondContact O-N 3.11Å; L205-T209 PolarHBondContact O-N 3.37Å; L205-T209 PolarHBondContact O-OG1 2.99Å; L205-V236 HydrophobicContact CD1-CG1 3.28Å; L205-V236 HydrophobicContact CD2-CB 4.33Å; L205-V236 HydrophobicContact CD2-CG1 3.56Å; L205-V236 HydrophobicContact CD2-CG2 3.78Å; L205-V236 HydrophobicContact CG-CB 4.44Å; L205-V236 HydrophobicContact CG-CG1 3.48Å; L205-V236 VanDerWaalsContact CG-CG1 3.48Å; L205-V236 HydrophobicContact CG-CG2 4.3Å
206S88.6Confident89.2Confident83 Ų8361 Ų6158%0.5836%0.357SS*.Hα-helixtrans-63.6-38.1177.3-51.30000111.8C203 T209 Y210C203-S206 PolarHBondContact O-N 3.09Å; S206-T209 PolarHBondContact O-N 3.11Å; S206-Y210 PolarHBondContact O-N 3.41Å
207V90.9Very high89.1Confident17 Ų1762 Ų6210%0.10336%0.358CS..Hα-helixtrans-68.1-43.8177.71770000110.9L153 V166 C203 S204 L205 Y210 V211L153-V207 HydrophobicContact CD2-CB 4.45Å; L153-V207 HydrophobicContact CD2-CG1 4.14Å; L153-V207 HydrophobicContact CD2-CG2 4.05Å; V166-V207 HydrophobicContact CB-CG1 4Å; V166-V207 HydrophobicContact CG1-CG1 4.08Å; V166-V207 HydrophobicContact CG2-CG1 3.73Å; C203-V207 VanDerWaalsContact O-CG2 3.26Å; C203-V207 WeakPolarHBondContact O-CG2 3.41Å; C203-V207 PolarHBondContact O-N 2.83Å; C203-V207 VanDerWaalsContact O-N 3.1Å; S204-V207 PolarHBondContact O-N 2.85Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 3.35Å; V207-Y210 PolarHBondContact O-N 3.21Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.1Å
208C88.6Confident88.9Confident69 Ų6962.7 Ų62.747%0.46636%0.364SS..Hα-helixtrans-59.8-45.7174.3-73.30000111.3S204 L205 Y210 V211 L212S204-C208 WeakPolarHBondContact O-CB 3.49Å; S204-C208 PolarHBondContact O-N 3.01Å; S204-C208 PolarHBondContact O-SG 3.48Å; L205-C208 PolarHBondContact O-N 3.11Å; C208-Y210 VanDerWaalsContact C-N 3.33Å; C208-Y210 PolarHBondContact O-N 2.88Å; C208-V211 PolarHBondContact O-N 3Å; C208-L212 VanDerWaalsContact O-CB 3.26Å; C208-L212 WeakPolarHBondContact O-CB 3.45Å; C208-L212 PolarHBondContact O-N 3.26Å
209T89.7Confident88.9Confident41 Ų4160.5 Ų60.525%0.25235%0.353SS..Hα-helixtrans-59.9-43.3176.2-59.60000111.7L205 S206 L212 R213L205-T209 PolarHBondContact O-N 3.37Å; L205-T209 PolarHBondContact O-OG1 2.99Å; S206-T209 PolarHBondContact O-N 3.11Å; T209-L212 PolarHBondContact O-N 3.37Å; T209-R213 WeakPolarHBondContact O-CB 3.28Å; T209-R213 WeakPolarHBondContact O-CG 3.32Å; T209-R213 PolarHBondContact O-N 3.47Å
210Y91.4Very high89.1Confident42 Ų4256 Ų5617%0.16533%0.333CS..Hα-helixtrans-61.6-47.7175.7175.4-91.5000111.8L150 L153 Q154 T157 S206 V207 C208 L212 R213 R214L150-Y210 HydrophobicContact CD1-CD2 4.24Å; L150-Y210 HydrophobicContact CD1-CE2 3.96Å; L153-Y210 HydrophobicContact CB-CD1 3.96Å; L153-Y210 HydrophobicContact CB-CD2 4.2Å; L153-Y210 HydrophobicContact CB-CE1 3.83Å; L153-Y210 HydrophobicContact CB-CE2 4.06Å; L153-Y210 HydrophobicContact CB-CG 4.15Å; L153-Y210 HydrophobicContact CD1-CD1 4.31Å; L153-Y210 HydrophobicContact CD1-CD2 3.95Å; L153-Y210 HydrophobicContact CD1-CG 3.79Å; L153-Y210 HydrophobicContact CD2-CD1 3.98Å; L153-Y210 HydrophobicContact CD2-CG 4.25Å; L153-Y210 HydrophobicContact CG-CD1 4.32Å; L153-Y210 HydrophobicContact CG-CG 4.3Å; Q154-Y210 WeakPolarHBondContact CA-OH 2.92Å; Q154-Y210 WeakPolarHBondContact CG-OH 3.46Å; T157-Y210 HydrophobicContact CG2-CE1 4.4Å; T157-Y210 WeakPolarHBondContact OG1-CE1 2.85Å; S206-Y210 PolarHBondContact O-N 3.41Å; V207-Y210 PolarHBondContact O-N 3.21Å; C208-Y210 VanDerWaalsContact C-N 3.33Å; C208-Y210 PolarHBondContact O-N 2.88Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3.01Å; Y210-R213 PolarHBondContact O-N 3.47Å; Y210-R214 HydrophobicContact CE1-CB 4.48Å; Y210-R214 VanDerWaalsContact O-CB 3.27Å; Y210-R214 WeakPolarHBondContact O-CB 3.49Å; Y210-R214 PolarHBondContact O-N 2.87Å
211V91Very high89.2Confident28 Ų2857.2 Ų57.217%0.1732%0.324CS..Hα-helixtrans-62.9-41.2179.3169.80000111.4M164 V166 V207 C208 R214 T215M164-V211 HydrophobicContact CB-CG1 3.49Å; M164-V211 VanDerWaalsContact CB-CG1 3.49Å; M164-V211 HydrophobicContact CG-CG1 4.15Å; V166-V211 HydrophobicContact CG2-CG2 3.53Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.1Å; C208-V211 PolarHBondContact O-N 3Å; V211-R214 PolarHBondContact O-N 3.37Å; V211-T215 WeakPolarHBondContact O-CB 3.47Å; V211-T215 PolarHBondContact O-N 2.76Å; V211-T215 PolarHBondContact O-OG1 2.78Å
212L90.2Very high89Confident35 Ų3560.2 Ų60.218%0.18333%0.334CS..Hα-helixtrans-60.7-51.5177.4179.768.8000111.1C208 T209 Y210 R214 T215 A216 V230 F234 L260C208-L212 VanDerWaalsContact O-CB 3.26Å; C208-L212 WeakPolarHBondContact O-CB 3.45Å; C208-L212 PolarHBondContact O-N 3.26Å; T209-L212 PolarHBondContact O-N 3.37Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3.01Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.36Å; L212-T215 PolarHBondContact O-N 3.01Å; L212-A216 PolarHBondContact O-N 3.38Å; L212-V230 HydrophobicContact CD1-CG1 4.34Å; L212-V230 HydrophobicContact CD2-CG1 3.98Å; L212-V230 HydrophobicContact CG-CG1 3.64Å; L212-F234 HydrophobicContact CD2-CB 4.28Å; L212-F234 HydrophobicContact CD2-CD1 3.5Å; L212-F234 HydrophobicContact CD2-CD2 4.35Å; L212-F234 HydrophobicContact CD2-CE1 3.8Å; L212-F234 HydrophobicContact CD2-CG 3.79Å; L212-F234 HydrophobicContact CD2-CZ 4.32Å; L212-L260 HydrophobicContact CD1-CD1 3.89Å; L212-L260 HydrophobicContact CD1-CD2 3.5Å; L212-L260 VanDerWaalsContact CD1-CD2 3.5Å; L212-L260 HydrophobicContact CD1-CG 4.35Å
213R91.5Very high89.1Confident103 Ų10356.1 Ų56.139%0.38930%0.295SS..Hα-helixtrans-61.2-42.1176.7-75.7178.2175.9179.8-2.8112T209 Y210 T215 A216 E217 V230 F231T209-R213 WeakPolarHBondContact O-CB 3.28Å; T209-R213 WeakPolarHBondContact O-CG 3.32Å; T209-R213 PolarHBondContact O-N 3.47Å; Y210-R213 PolarHBondContact O-N 3.47Å; R213-T215 VanDerWaalsContact C-N 3.33Å; R213-T215 PolarHBondContact O-N 2.69Å; R213-A216 PolarHBondContact O-N 3.24Å; R213-E217 WeakPolarHBondContact O-CB 3.36Å; R213-E217 PolarHBondContact O-N 3.25Å; R213-V230 HydrophobicContact CG-CG1 4.44Å; R213-F231 HydrophobicContact CB-CD1 4.39Å; R213-F231 HydrophobicContact CB-CE1 3.73Å; R213-F231 HydrophobicContact CB-CE2 4.34Å; R213-F231 HydrophobicContact CB-CZ 3.7Å; R213-F231 HydrophobicContact CG-CD1 3.9Å; R213-F231 HydrophobicContact CG-CE1 3.76Å; R213-F231 HydrophobicContact CG-CE2 4.46Å; R213-F231 HydrophobicContact CG-CG 4.34Å; R213-F231 HydrophobicContact CG-CZ 4.05Å; R213-F231 PolarHBondContact NH2-O 2.8Å
214R90.9Very high89.1Confident95 Ų9557 Ų5736%0.35830%0.3SS..Hα-helixtrans-64.2-39.2177.2-176.961.2-170.6-167.5-2.3112.1M164 Y210 V211 L212 E217 D218M164-R214 HydrophobicContact CE-CB 3.99Å; M164-R214 HydrophobicContact CE-CG 3.38Å; Y210-R214 HydrophobicContact CE1-CB 4.48Å; Y210-R214 VanDerWaalsContact O-CB 3.27Å; Y210-R214 WeakPolarHBondContact O-CB 3.49Å; Y210-R214 PolarHBondContact O-N 2.87Å; V211-R214 PolarHBondContact O-N 3.37Å; L212-R214 VanDerWaalsContact C-N 3.34Å; L212-R214 PolarHBondContact O-N 3.36Å; R214-E217 IonicContact CZ-OE2 2.62Å; R214-E217 IonicContact NH1-OE2 3.24Å; R214-E217 PolarHBondContact NH1-OE2 3.13Å; R214-E217 VanDerWaalsContact NH1-OE2 3.1Å; R214-E217 PolarHBondContact O-N 2.95Å; R214-D218 IonicContact CZ-OD1 3.79Å; R214-D218 IonicContact NE-OD1 3.14Å; R214-D218 PolarHBondContact NE-OD1 3.18Å; R214-D218 IonicContact NE-OD2 2.84Å; R214-D218 IonicContact NH2-OD1 2.79Å; R214-D218 PolarHBondContact NH2-OD1 2.91Å; R214-D218 WeakPolarHBondContact O-CB 3.45Å; R214-D218 VanDerWaalsContact O-CG 3.27Å; R214-D218 PolarHBondContact O-N 2.72Å
215T90.2Very high88.9Confident21 Ų2161 Ų6113%0.12932%0.324CS..Hα-helixtrans-64.8-41.2176.5-57.60000111.3V211 L212 R213 N219 L260V211-T215 WeakPolarHBondContact O-CB 3.47Å; V211-T215 PolarHBondContact O-N 2.76Å; V211-T215 PolarHBondContact O-OG1 2.78Å; L212-T215 PolarHBondContact O-N 3.01Å; R213-T215 VanDerWaalsContact C-N 3.33Å; R213-T215 PolarHBondContact O-N 2.69Å; T215-N219 PolarHBondContact O-N 3.49Å; T215-N219 PolarHBondContact O-ND2 2.8Å; T215-N219 VanDerWaalsContact O-ND2 3.17Å; T215-L260 HydrophobicContact CG2-CD2 4.4Å
216A91.1Very high89Confident0 Ų056.5 Ų56.50%030%0.3CS..Hα-helixtrans-63.1-44.8173.800000111.7L212 R213 N219 K220 W227 V230 F231 M259L212-A216 PolarHBondContact O-N 3.38Å; R213-A216 PolarHBondContact O-N 3.24Å; A216-N219 CarbonylContact O-C 3.54Å; A216-N219 PolarHBondContact O-N 3.28Å; A216-K220 PolarHBondContact O-N 3.12Å; A216-K220 VanDerWaalsContact O-N 3.07Å; A216-W227 HydrophobicContact CB-CB 4.35Å; A216-V230 HydrophobicContact CB-CB 3.78Å; A216-V230 HydrophobicContact CB-CG1 3.91Å; A216-V230 HydrophobicContact CB-CG2 3.85Å; A216-F231 HydrophobicContact CB-CE2 4.29Å; A216-M259 HydrophobicContact CB-CE 3.79Å; A216-M259 HydrophobicContact CB-SD 4.26Å
217E91Very high89.2Confident77 Ų7755.9 Ų55.936%0.3629%0.285SS..Hα-helixtrans-62.5-44.2178.2-173.1-180-15000112.6R213 R214 N219 K220R213-E217 WeakPolarHBondContact O-CB 3.36Å; R213-E217 PolarHBondContact O-N 3.25Å; R214-E217 IonicContact CZ-OE2 2.62Å; R214-E217 IonicContact NH1-OE2 3.24Å; R214-E217 PolarHBondContact NH1-OE2 3.13Å; R214-E217 VanDerWaalsContact NH1-OE2 3.1Å; R214-E217 PolarHBondContact O-N 2.95Å; E217-N219 PolarHBondContact O-N 2.96Å; E217-K220 WeakPolarHBondContact O-CB 3.42Å; E217-K220 VanDerWaalsContact O-CG 3.27Å; E217-K220 WeakPolarHBondContact O-CG 3.34Å; E217-K220 PolarHBondContact O-N 3.24Å
218D88.4Confident89.3Confident63 Ų6360.4 Ų60.434%0.33731%0.305SS..Hα-helixtrans-62.6-26.6178.1-73.7-16.9000111.9R214R214-D218 IonicContact CZ-OD1 3.79Å; R214-D218 IonicContact NE-OD1 3.14Å; R214-D218 PolarHBondContact NE-OD1 3.18Å; R214-D218 IonicContact NE-OD2 2.84Å; R214-D218 IonicContact NH2-OD1 2.79Å; R214-D218 PolarHBondContact NH2-OD1 2.91Å; R214-D218 WeakPolarHBondContact O-CB 3.45Å; R214-D218 VanDerWaalsContact O-CG 3.27Å; R214-D218 PolarHBondContact O-N 2.72Å
219N88.6Confident89.4Confident7 Ų759.7 Ų59.74%0.03729%0.293CS..THydrogen-bonded Turntrans-1059-178.2-64.6-34.1000113.8T215 A216 E217 T221 Q222 F223 M259T215-N219 PolarHBondContact O-N 3.49Å; T215-N219 PolarHBondContact O-ND2 2.8Å; T215-N219 VanDerWaalsContact O-ND2 3.17Å; A216-N219 CarbonylContact O-C 3.54Å; A216-N219 PolarHBondContact O-N 3.28Å; E217-N219 PolarHBondContact O-N 2.96Å; N219-T221 PolarHBondContact O-N 2.99Å; N219-T221 VanDerWaalsContact O-N 3.16Å; N219-Q222 PolarHBondContact O-N 3.1Å; N219-Q222 VanDerWaalsContact O-N 3.09Å; N219-Q222 PolarHBondContact O-OE1 2.6Å; N219-F223 HydrophobicContact CB-CD2 4.18Å; N219-F223 PolarHBondContact O-N 2.86Å; N219-M259 HydrophobicContact CB-CG 3.71Å; N219-M259 PolarHBondContact ND2-O 3.1Å
220K88.1Confident89.5Confident100 Ų10057.8 Ų57.844%0.43528%0.281SS..THydrogen-bonded Turntrans-58.1-32.1-175.773.2-174.5-179.9-178.40113.8A216 E217 Q222 F223 P224 W227A216-K220 PolarHBondContact O-N 3.12Å; A216-K220 VanDerWaalsContact O-N 3.07Å; E217-K220 WeakPolarHBondContact O-CB 3.42Å; E217-K220 VanDerWaalsContact O-CG 3.27Å; E217-K220 WeakPolarHBondContact O-CG 3.34Å; E217-K220 PolarHBondContact O-N 3.24Å; K220-Q222 VanDerWaalsContact C-N 3.35Å; K220-F223 CarbonylContact O-C 3.59Å; K220-P224 WeakPolarHBondContact O-CA 3.31Å; K220-W227 HydrophobicContact CB-CB 4.31Å; K220-W227 HydrophobicContact CB-CD2 3.88Å; K220-W227 HydrophobicContact CB-CE3 4.44Å; K220-W227 HydrophobicContact CB-CG 3.77Å
221T85.9Confident89.4Confident106 Ų10658.9 Ų58.965%0.6529%0.287SS*.THydrogen-bonded Turntrans-70.6-32.5-179.543.80000112.5N219N219-T221 PolarHBondContact O-N 2.99Å; N219-T221 VanDerWaalsContact O-N 3.16Å
222Q82.5Confident89.3Confident90 Ų9062.9 Ų62.942%0.42131%0.307SS..THydrogen-bonded Turntrans-86.1-30.2179.2-64.676.713.100111.2N219 K220 P224 Y262N219-Q222 PolarHBondContact O-N 3.1Å; N219-Q222 VanDerWaalsContact O-N 3.09Å; N219-Q222 PolarHBondContact O-OE1 2.6Å; K220-Q222 VanDerWaalsContact C-N 3.35Å; Q222-P224 VanDerWaalsContact C-CD 3.46Å; Q222-P224 WeakPolarHBondContact O-CD 3.5Å; Q222-Y262 HydrophobicContact CG-CE1 4.36Å
223F88.8Confident89.4Confident25 Ų2563.1 Ų63.111%0.1131%0.309CS..  trans-128.662.9-174.4-61.3-85.2000112.1N219 K220 T225 V226 W227 D255 L258 M259 Y262N219-F223 HydrophobicContact CB-CD2 4.18Å; N219-F223 PolarHBondContact O-N 2.86Å; K220-F223 CarbonylContact O-C 3.59Å; F223-T225 PolarHBondContact O-N 3.38Å; F223-V226 HydrophobicContact CB-CG2 3.78Å; F223-V226 HydrophobicContact CD1-CG2 4.42Å; F223-V226 HydrophobicContact CG-CG2 4.48Å; F223-V226 PolarHBondContact O-N 3.25Å; F223-W227 PolarHBondContact O-N 2.93Å; F223-D255 HydrophobicContact CD1-CB 4.38Å; F223-L258 HydrophobicContact CE1-CB 3.84Å; F223-L258 HydrophobicContact CZ-CB 3.93Å; F223-M259 HydrophobicContact CB-CB 4.01Å; F223-M259 HydrophobicContact CB-CG 3.84Å; F223-M259 HydrophobicContact CB-SD 3.77Å; F223-M259 HydrophobicContact CD1-CB 3.96Å; F223-M259 HydrophobicContact CD2-CB 3.62Å; F223-M259 HydrophobicContact CD2-CG 3.62Å; F223-M259 HydrophobicContact CE1-CB 4.33Å; F223-M259 HydrophobicContact CE2-CB 4.03Å; F223-M259 HydrophobicContact CE2-CG 4.35Å; F223-M259 HydrophobicContact CG-CB 3.58Å; F223-M259 HydrophobicContact CG-CG 3.8Å; F223-M259 HydrophobicContact CG-SD 4.38Å; F223-M259 HydrophobicContact CZ-CB 4.36Å; F223-Y262 AromaticContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CE2 4.47Å; F223-Y262 HydrophobicContact CE2-CG 4.01Å; F223-Y262 HydrophobicContact CZ-CD2 4.1Å
224P86.4Confident89.2Confident87 Ų8760.5 Ų60.557%0.56530%0.3SS*.THydrogen-bonded Turntrans-64.9-21.9-173.326.6-35.6000113.9K220 Q222 W227K220-P224 WeakPolarHBondContact O-CA 3.31Å; Q222-P224 VanDerWaalsContact C-CD 3.46Å; Q222-P224 WeakPolarHBondContact O-CD 3.5Å; P224-W227 VanDerWaalsContact O-CD1 3.28Å; P224-W227 PolarHBondContact O-NE1 2.96Å
225T85.9Confident88.7Confident96 Ų9663.6 Ų63.659%0.58931%0.313SS*.THydrogen-bonded Turntrans-86.4-26.9-174.849.20000114.2F223F223-T225 PolarHBondContact O-N 3.38Å
226V90.5Very high88.1Confident1 Ų164.9 Ų64.91%0.00632%0.321CS..THydrogen-bonded Turntrans-116.4-18-170.9-65.40000114.2F223 E228 R229 D255 M259F223-V226 HydrophobicContact CB-CG2 3.78Å; F223-V226 HydrophobicContact CD1-CG2 4.42Å; F223-V226 HydrophobicContact CG-CG2 4.48Å; F223-V226 PolarHBondContact O-N 3.25Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 2.83Å; V226-R229 WeakPolarHBondContact O-CB 3.32Å; V226-R229 PolarHBondContact O-N 3.27Å; V226-R229 VanDerWaalsContact O-N 3.15Å; V226-D255 HydrophobicContact CG1-CB 3.84Å; V226-D255 HydrophobicContact CG2-CB 3.98Å; V226-M259 HydrophobicContact CG2-CB 4.48Å; V226-M259 HydrophobicContact CG2-CE 4.46Å; V226-M259 HydrophobicContact CG2-SD 4.06Å
227W91.6Very high87.4Confident70 Ų7071 Ų7127%0.26535%0.353SS..THydrogen-bonded Turntrans-61-39.6-175.678.6-83.6000112.8A216 K220 F223 P224 R229 V230 F231 M259A216-W227 HydrophobicContact CB-CB 4.35Å; K220-W227 HydrophobicContact CB-CB 4.31Å; K220-W227 HydrophobicContact CB-CD2 3.88Å; K220-W227 HydrophobicContact CB-CE3 4.44Å; K220-W227 HydrophobicContact CB-CG 3.77Å; F223-W227 PolarHBondContact O-N 2.93Å; P224-W227 VanDerWaalsContact O-CD1 3.28Å; P224-W227 PolarHBondContact O-NE1 2.96Å; W227-R229 VanDerWaalsContact C-N 3.29Å; W227-R229 PolarHBondContact O-N 3.46Å; W227-V230 WeakPolarHBondContact O-CB 3.27Å; W227-V230 PolarHBondContact O-N 3.24Å; W227-F231 HydrophobicContact CE3-CD2 4.12Å; W227-F231 AromaticContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CZ3-CD2 4.04Å; W227-F231 AromaticContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CZ 4.35Å; W227-M259 VanDerWaalsContact CA-SD 3.56Å; W227-M259 HydrophobicContact CB-CE 4.49Å; W227-M259 HydrophobicContact CB-SD 3.63Å
228E92.1Very high87Confident113 Ų11371.2 Ų71.253%0.52836%0.357SS..THydrogen-bonded Turntrans-68.7-30-179.8-171.9175.3-164.400111.9V226 V230 F231 N232V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 2.83Å; E228-V230 PolarHBondContact O-N 3.17Å; E228-F231 WeakPolarHBondContact O-CB 3.38Å; E228-F231 PolarHBondContact O-N 3.24Å; E228-N232 PolarHBondContact O-N 3.22Å
229R91.5Very high87Confident54 Ų5471.1 Ų71.120%0.20435%0.353CS..Hα-helixtrans-60.2-28.4175.2-63.1178.8172.3-100.75.6111.4V226 W227 F231 N232 N233 D241 F243 E248V226-R229 WeakPolarHBondContact O-CB 3.32Å; V226-R229 PolarHBondContact O-N 3.27Å; V226-R229 VanDerWaalsContact O-N 3.15Å; W227-R229 VanDerWaalsContact C-N 3.29Å; W227-R229 PolarHBondContact O-N 3.46Å; R229-F231 PolarHBondContact O-N 2.86Å; R229-N232 PolarHBondContact O-N 3.33Å; R229-N233 WeakPolarHBondContact O-CA 3.26Å; R229-N233 VanDerWaalsContact O-CB 3.25Å; R229-N233 WeakPolarHBondContact O-CB 3.08Å; R229-N233 PolarHBondContact O-N 3.39Å; R229-D241 WeakPolarHBondContact CD-OD2 3.48Å; R229-D241 IonicContact CZ-OD2 2.82Å; R229-D241 IonicContact NE-OD2 3.8Å; R229-D241 IonicContact NH1-OD1 3.62Å; R229-D241 PolarHBondContact NH1-OD1 2.73Å; R229-D241 IonicContact NH1-OD2 3.4Å; R229-D241 PolarHBondContact NH1-OD2 3.47Å; R229-F243 VanDerWaalsContact CZ-CE1 3.42Å; R229-E248 IonicContact NH2-OE1 3.97Å
230V91.8Very high86.9Confident1 Ų176.4 Ų76.41%0.00638%0.38CS..Hα-helixtrans-61.8-32174175.30000112.5L212 R213 A216 W227 E228 F234 L256 M259L212-V230 HydrophobicContact CD1-CG1 4.34Å; L212-V230 HydrophobicContact CD2-CG1 3.98Å; L212-V230 HydrophobicContact CG-CG1 3.64Å; R213-V230 HydrophobicContact CG-CG1 4.44Å; A216-V230 HydrophobicContact CB-CB 3.78Å; A216-V230 HydrophobicContact CB-CG1 3.91Å; A216-V230 HydrophobicContact CB-CG2 3.85Å; W227-V230 WeakPolarHBondContact O-CB 3.27Å; W227-V230 PolarHBondContact O-N 3.24Å; E228-V230 PolarHBondContact O-N 3.17Å; V230-F234 HydrophobicContact CB-CD2 4.34Å; V230-F234 HydrophobicContact CB-CE2 4.4Å; V230-F234 HydrophobicContact CG1-CD2 4.31Å; V230-F234 HydrophobicContact CG1-CE2 4.49Å; V230-F234 HydrophobicContact CG2-CD2 4.4Å; V230-F234 HydrophobicContact CG2-CE2 3.96Å; V230-L256 HydrophobicContact CG2-CD1 3.59Å; V230-M259 HydrophobicContact CG2-CE 3.49Å; V230-M259 VanDerWaalsContact CG2-CE 3.49Å
231F90.1Very high87Confident65 Ų6574 Ų7429%0.28537%0.372SS..Hα-helixtrans-79.2-34.2-179.2-72.2-100.4000112.4R213 A216 W227 E228 R229R213-F231 HydrophobicContact CB-CD1 4.39Å; R213-F231 HydrophobicContact CB-CE1 3.73Å; R213-F231 HydrophobicContact CB-CE2 4.34Å; R213-F231 HydrophobicContact CB-CZ 3.7Å; R213-F231 HydrophobicContact CG-CD1 3.9Å; R213-F231 HydrophobicContact CG-CE1 3.76Å; R213-F231 HydrophobicContact CG-CE2 4.46Å; R213-F231 HydrophobicContact CG-CG 4.34Å; R213-F231 HydrophobicContact CG-CZ 4.05Å; R213-F231 PolarHBondContact NH2-O 2.8Å; A216-F231 HydrophobicContact CB-CE2 4.29Å; W227-F231 HydrophobicContact CE3-CD2 4.12Å; W227-F231 AromaticContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CE3-CE2 3.74Å; W227-F231 HydrophobicContact CZ3-CD2 4.04Å; W227-F231 AromaticContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CE2 3.7Å; W227-F231 HydrophobicContact CZ3-CZ 4.35Å; E228-F231 WeakPolarHBondContact O-CB 3.38Å; E228-F231 PolarHBondContact O-N 3.24Å; R229-F231 PolarHBondContact O-N 2.86Å
232N89.1Confident87.2Confident111 Ų11173.7 Ų73.759%0.59437%0.374SS*.Hα-helixtrans-99.5-29.7-170.1-63.8-31.1000113.7E228 R229E228-N232 PolarHBondContact O-N 3.22Å; R229-N232 PolarHBondContact O-N 3.33Å
233N91.2Very high87.4Confident41 Ų4171.3 Ų71.322%0.21936%0.363CS..SBendtrans-119.510.9-163.3-61.7-4.4000112.9R229 Y239 L240 D241R229-N233 WeakPolarHBondContact O-CA 3.26Å; R229-N233 VanDerWaalsContact O-CB 3.25Å; R229-N233 WeakPolarHBondContact O-CB 3.08Å; R229-N233 PolarHBondContact O-N 3.39Å; N233-Y239 HydrophobicContact CB-CD2 4.22Å; N233-Y239 HydrophobicContact CB-CE2 3.86Å; N233-Y239 WeakPolarHBondContact O-CD2 3.22Å; N233-L240 VanDerWaalsContact CB-O 3.28Å; N233-L240 WeakPolarHBondContact CB-O 3.25Å; N233-L240 PolarHBondContact O-N 3.07Å; N233-D241 HydrophobicContact CB-CB 4.37Å; N233-D241 PolarHBondContact ND2-OD1 3.27Å; N233-D241 PolarHBondContact ND2-OD2 3.05Å
234F88.5Confident87.4Confident47 Ų4779.2 Ų79.221%0.20640%0.402CS..EExtended strand (participates in β ladder)trans-104126.4169.2-86.5-101.5000110.8L212 V230 N238 Y239 L256 L260L212-F234 HydrophobicContact CD2-CB 4.28Å; L212-F234 HydrophobicContact CD2-CD1 3.5Å; L212-F234 HydrophobicContact CD2-CD2 4.35Å; L212-F234 HydrophobicContact CD2-CE1 3.8Å; L212-F234 HydrophobicContact CD2-CG 3.79Å; L212-F234 HydrophobicContact CD2-CZ 4.32Å; V230-F234 HydrophobicContact CB-CD2 4.34Å; V230-F234 HydrophobicContact CB-CE2 4.4Å; V230-F234 HydrophobicContact CG1-CD2 4.31Å; V230-F234 HydrophobicContact CG1-CE2 4.49Å; V230-F234 HydrophobicContact CG2-CD2 4.4Å; V230-F234 HydrophobicContact CG2-CE2 3.96Å; F234-N238 WeakPolarHBondContact CA-O 3.39Å; F234-Y239 AromaticContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CE2 4.37Å; F234-Y239 HydrophobicContact CD2-CG 4.46Å; F234-Y239 AromaticContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CE2 4.02Å; F234-Y239 AromaticContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CG-CD2 4.41Å; F234-Y239 AromaticContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CG 4.09Å; F234-L256 HydrophobicContact CE2-CD1 4.19Å; F234-L256 HydrophobicContact CE2-CD2 4.06Å; F234-L256 HydrophobicContact CZ-CD2 4.09Å; F234-L260 HydrophobicContact CZ-CD1 4.32Å
235Y79.6Confident87.5Confident161 Ų16177.7 Ų77.763%0.63139%0.393SS*.EExtended strand (participates in β ladder)trans-109.3107.2163.1179.7-100.5000108.4D237 N238Y235-D237 PolarHBondContact O-N 2.78Å; Y235-N238 PolarHBondContact N-O 3.5Å; Y235-N238 PolarHBondContact O-N 3.39Å
236V78.3Confident87.6Confident48 Ų4880.9 Ų80.929%0.29140%0.402SS..THydrogen-bonded Turntrans58.2-104.8-179.9179.10000111L205L205-V236 HydrophobicContact CD1-CG1 3.28Å; L205-V236 HydrophobicContact CD2-CB 4.33Å; L205-V236 HydrophobicContact CD2-CG1 3.56Å; L205-V236 HydrophobicContact CD2-CG2 3.78Å; L205-V236 HydrophobicContact CG-CB 4.44Å; L205-V236 HydrophobicContact CG-CG1 3.48Å; L205-V236 VanDerWaalsContact CG-CG1 3.48Å; L205-V236 HydrophobicContact CG-CG2 4.3Å
237D75.3Confident87.3Confident127 Ų12787.9 Ų87.968%0.67943%0.434SS*.THydrogen-bonded Turntrans-108.61.8-179.364.9-25.5000111.9Y235Y235-D237 PolarHBondContact O-N 2.78Å
238N83.2Confident87.1Confident83 Ų8388.1 Ų88.144%0.44444%0.438SS..EExtended strand (participates in β ladder)trans-106.6125.1-179.1-58.3160.9000110.5F234 Y235F234-N238 WeakPolarHBondContact CA-O 3.39Å; Y235-N238 PolarHBondContact N-O 3.5Å; Y235-N238 PolarHBondContact O-N 3.39Å
239Y87.3Confident86.9Confident61 Ų6185 Ų8524%0.23943%0.427CS..EExtended strand (participates in β ladder)trans-88.7120.8168.6176.3-118.3000109N233 F234 D241 L256N233-Y239 HydrophobicContact CB-CD2 4.22Å; N233-Y239 HydrophobicContact CB-CE2 3.86Å; N233-Y239 WeakPolarHBondContact O-CD2 3.22Å; F234-Y239 AromaticContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CD2 3.6Å; F234-Y239 HydrophobicContact CD2-CE2 4.37Å; F234-Y239 HydrophobicContact CD2-CG 4.46Å; F234-Y239 AromaticContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CD2 3.31Å; F234-Y239 HydrophobicContact CE2-CE2 4.02Å; F234-Y239 AromaticContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CE2-CG 3.98Å; F234-Y239 HydrophobicContact CG-CD2 4.41Å; F234-Y239 AromaticContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CD2 3.9Å; F234-Y239 HydrophobicContact CZ-CG 4.09Å; Y239-D241 HydrophobicContact CE1-CB 3.87Å; Y239-D241 HydrophobicContact CE2-CB 3.9Å; Y239-D241 VanDerWaalsContact CZ-CB 3.47Å; Y239-D241 VanDerWaalsContact CZ-OD2 3.26Å; Y239-D241 WeakPolarHBondContact OH-CB 3.36Å; Y239-D241 PolarHBondContact OH-OD2 3.38Å; Y239-L256 HydrophobicContact CD1-CD2 3.81Å; Y239-L256 HydrophobicContact CD2-CD2 3.92Å; Y239-L256 HydrophobicContact CE1-CD2 3.66Å; Y239-L256 HydrophobicContact CE2-CD2 3.79Å; Y239-L256 HydrophobicContact CG-CD2 3.91Å
240L88.4Confident86.7Confident118 Ų11889 Ų8962%0.61845%0.448SS*.  trans-125109.3-178.9-65.1173.7000108.8N233N233-L240 VanDerWaalsContact CB-O 3.28Å; N233-L240 WeakPolarHBondContact CB-O 3.25Å; N233-L240 PolarHBondContact O-N 3.07Å
241D89.7Confident86.4Confident49 Ų4992.3 Ų92.326%0.26247%0.469SS..  trans-141.8159.4-175.3-150.6-22.8000111.2R229 N233 Y239 F243R229-D241 WeakPolarHBondContact CD-OD2 3.48Å; R229-D241 IonicContact CZ-OD2 2.82Å; R229-D241 IonicContact NE-OD2 3.8Å; R229-D241 IonicContact NH1-OD1 3.62Å; R229-D241 PolarHBondContact NH1-OD1 2.73Å; R229-D241 IonicContact NH1-OD2 3.4Å; R229-D241 PolarHBondContact NH1-OD2 3.47Å; N233-D241 HydrophobicContact CB-CB 4.37Å; N233-D241 PolarHBondContact ND2-OD1 3.27Å; N233-D241 PolarHBondContact ND2-OD2 3.05Å; Y239-D241 HydrophobicContact CE1-CB 3.87Å; Y239-D241 HydrophobicContact CE2-CB 3.9Å; Y239-D241 VanDerWaalsContact CZ-CB 3.47Å; Y239-D241 VanDerWaalsContact CZ-OD2 3.26Å; Y239-D241 WeakPolarHBondContact OH-CB 3.36Å; Y239-D241 PolarHBondContact OH-OD2 3.38Å; D241-F243 HydrophobicContact CB-CE2 3.83Å; D241-F243 HydrophobicContact CB-CZ 4.11Å
242S89.5Confident86.4Confident100 Ų10089.9 Ų89.970%0.69946%0.459SS*.  trans-130.1142.9178.660.60000111
243F87.9Confident86.4Confident40 Ų4086.5 Ų86.518%0.17544%0.444CS..  trans-138.8154.8-176.5-59-85000109.8R229 D241 E248 T249 S252R229-F243 VanDerWaalsContact CZ-CE1 3.42Å; D241-F243 HydrophobicContact CB-CE2 3.83Å; D241-F243 HydrophobicContact CB-CZ 4.11Å; F243-E248 HydrophobicContact CD1-CB 4.39Å; F243-E248 HydrophobicContact CD1-CG 3.77Å; F243-E248 HydrophobicContact CE1-CG 4.46Å; F243-T249 VanDerWaalsContact CB-OG1 3.23Å; F243-T249 WeakPolarHBondContact CB-OG1 3.42Å; F243-T249 HydrophobicContact CD2-CG2 3.75Å; F243-T249 VanDerWaalsContact CD2-OG1 3.3Å; F243-T249 WeakPolarHBondContact CD2-OG1 3.14Å; F243-T249 HydrophobicContact CE2-CG2 4.04Å; F243-T249 WeakPolarHBondContact CG-OG1 3.15Å; F243-S252 VanDerWaalsContact CE1-CB 3.4Å; F243-S252 WeakPolarHBondContact CE1-OG 3.45Å; F243-S252 VanDerWaalsContact CZ-CB 3.49Å
244M87.6Confident86.2Confident190 Ų19090 Ų9094%0.93646%0.459SS*.SBendtrans-86.5-11.8179.9-64.3-63.9166.300112.9
245S87.7Confident86.2Confident55 Ų5589.7 Ų89.739%0.38546%0.459SS..SBendtrans-144.6153.6177.771.30000112.9Q247 E248 T249S245-Q247 VanDerWaalsContact C-N 3.32Å; S245-Q247 PolarHBondContact O-N 2.8Å; S245-E248 PolarHBondContact O-N 2.88Å; S245-E248 WeakPolarHBondContact OG-CB 3.39Å; S245-E248 PolarHBondContact OG-N 3.34Å; S245-E248 VanDerWaalsContact OG-N 3.13Å; S245-T249 PolarHBondContact O-N 3.49Å; S245-T249 VanDerWaalsContact O-N 3.15Å; S245-T249 PolarHBondContact O-OG1 3.04Å
246E89.4Confident86.7Confident164 Ų16482.5 Ų82.577%0.76643%0.432SS*.Hα-helixtrans-62.2-40.8173.8-65.2-178.2168.200111.2E248 T249 E250E246-E248 PolarHBondContact O-N 3.31Å; E246-T249 WeakPolarHBondContact O-CA 3.32Å; E246-T249 VanDerWaalsContact O-CB 3.27Å; E246-T249 WeakPolarHBondContact O-CB 3.41Å; E246-T249 PolarHBondContact O-N 3.35Å; E246-T249 VanDerWaalsContact O-N 3.14Å; E246-E250 WeakPolarHBondContact O-CG 3.26Å; E246-E250 PolarHBondContact O-N 3.39Å
247Q84.3Confident87.2Confident147 Ų14787.5 Ų87.569%0.68745%0.45SS*.Hα-helixtrans-63.9-40.2-179.8-172.3177.4400112.8S245 T249 E250 T251S245-Q247 VanDerWaalsContact C-N 3.32Å; S245-Q247 PolarHBondContact O-N 2.8Å; Q247-T249 VanDerWaalsContact C-N 3.32Å; Q247-E250 PolarHBondContact O-N 3.4Å; Q247-T251 WeakPolarHBondContact O-CB 3.46Å; Q247-T251 PolarHBondContact O-N 3.39Å; Q247-T251 PolarHBondContact O-OG1 3.49Å
248E86.4Confident87.7Confident75 Ų7583.6 Ų83.635%0.3543%0.429SS..Hα-helixtrans-65.5-39174.4-171.5-170.1172.600111.1R229 F243 S245 E246 S252R229-E248 IonicContact NH2-OE1 3.97Å; F243-E248 HydrophobicContact CD1-CB 4.39Å; F243-E248 HydrophobicContact CD1-CG 3.77Å; F243-E248 HydrophobicContact CE1-CG 4.46Å; S245-E248 PolarHBondContact O-N 2.88Å; S245-E248 WeakPolarHBondContact OG-CB 3.39Å; S245-E248 PolarHBondContact OG-N 3.34Å; S245-E248 VanDerWaalsContact OG-N 3.13Å; E246-E248 PolarHBondContact O-N 3.31Å; E248-S252 VanDerWaalsContact O-CB 3.26Å; E248-S252 WeakPolarHBondContact O-CB 3.38Å; E248-S252 PolarHBondContact O-N 2.98Å; E248-S252 PolarHBondContact O-OG 2.98Å
249T87.9Confident88Confident47 Ų4779.7 Ų79.729%0.28841%0.408SS..Hα-helixtrans-60.6-49.4175.2-53.40000110.8F243 S245 E246 Q247 S252 C253F243-T249 VanDerWaalsContact CB-OG1 3.23Å; F243-T249 WeakPolarHBondContact CB-OG1 3.42Å; F243-T249 HydrophobicContact CD2-CG2 3.75Å; F243-T249 VanDerWaalsContact CD2-OG1 3.3Å; F243-T249 WeakPolarHBondContact CD2-OG1 3.14Å; F243-T249 HydrophobicContact CE2-CG2 4.04Å; F243-T249 WeakPolarHBondContact CG-OG1 3.15Å; S245-T249 PolarHBondContact O-N 3.49Å; S245-T249 VanDerWaalsContact O-N 3.15Å; S245-T249 PolarHBondContact O-OG1 3.04Å; E246-T249 WeakPolarHBondContact O-CA 3.32Å; E246-T249 VanDerWaalsContact O-CB 3.27Å; E246-T249 WeakPolarHBondContact O-CB 3.41Å; E246-T249 PolarHBondContact O-N 3.35Å; E246-T249 VanDerWaalsContact O-N 3.14Å; Q247-T249 VanDerWaalsContact C-N 3.32Å; T249-S252 PolarHBondContact O-N 2.89Å; T249-C253 VanDerWaalsContact O-CB 3.25Å; T249-C253 WeakPolarHBondContact O-CB 3.43Å; T249-C253 PolarHBondContact O-N 2.93Å; T249-C253 PolarHBondContact O-SG 2.98Å
250E87.6Confident88Confident138 Ų13879.3 Ų79.365%0.64541%0.41SS*.Hα-helixtrans-61.2-46.7180-73.5-176.6172.300112E246 Q247 C253 H254E246-E250 WeakPolarHBondContact O-CG 3.26Å; E246-E250 PolarHBondContact O-N 3.39Å; Q247-E250 PolarHBondContact O-N 3.4Å; E250-C253 PolarHBondContact O-N 2.72Å; E250-H254 WeakPolarHBondContact O-CB 3.35Å; E250-H254 PolarHBondContact O-N 2.89Å
251T86.5Confident87.9Confident72 Ų7275.2 Ų75.244%0.44239%0.391SS..Hα-helixtrans-62.5-48.6179.2-53.60000110.6Q247 C253 H254 D255Q247-T251 WeakPolarHBondContact O-CB 3.46Å; Q247-T251 PolarHBondContact O-N 3.39Å; Q247-T251 PolarHBondContact O-OG1 3.49Å; T251-C253 PolarHBondContact O-N 3.39Å; T251-H254 WeakPolarHBondContact O-CB 3.32Å; T251-H254 PolarHBondContact O-N 3.36Å; T251-D255 WeakPolarHBondContact O-CB 3.43Å; T251-D255 PolarHBondContact O-N 3.17Å
252S88.7Confident87.6Confident13 Ų1376.9 Ų76.99%0.09139%0.394CS..Hα-helixtrans-64.9-40.6-179.8-59.10000112.1F243 E248 T249 H254 D255 L256F243-S252 VanDerWaalsContact CE1-CB 3.4Å; F243-S252 WeakPolarHBondContact CE1-OG 3.45Å; F243-S252 VanDerWaalsContact CZ-CB 3.49Å; E248-S252 VanDerWaalsContact O-CB 3.26Å; E248-S252 WeakPolarHBondContact O-CB 3.38Å; E248-S252 PolarHBondContact O-N 2.98Å; E248-S252 PolarHBondContact O-OG 2.98Å; T249-S252 PolarHBondContact O-N 2.89Å; S252-H254 VanDerWaalsContact C-N 3.34Å; S252-H254 PolarHBondContact O-N 3.05Å; S252-D255 PolarHBondContact O-N 3.12Å; S252-L256 WeakPolarHBondContact O-CB 3.29Å; S252-L256 PolarHBondContact O-N 3.13Å
253C88.5Confident87Confident41 Ų4172.5 Ų72.528%0.27736%0.364SS..Hα-helixtrans-63.3-40.3174.7-73.80000112.1T249 E250 T251 K257T249-C253 VanDerWaalsContact O-CB 3.25Å; T249-C253 WeakPolarHBondContact O-CB 3.43Å; T249-C253 PolarHBondContact O-N 2.93Å; T249-C253 PolarHBondContact O-SG 2.98Å; E250-C253 PolarHBondContact O-N 2.72Å; T251-C253 PolarHBondContact O-N 3.39Å; C253-K257 VanDerWaalsContact O-CG 3.31Å; C253-K257 WeakPolarHBondContact O-CG 3.27Å; C253-K257 PolarHBondContact O-N 2.65Å; C253-K257 VanDerWaalsContact O-N 3.14Å
254H87.4Confident86.6Confident113 Ų11375.6 Ų75.652%0.52338%0.379SS..Hα-helixtrans-64.2-50.4177.2-175.873.2000111.1E250 T251 S252 L256 K257 L258E250-H254 WeakPolarHBondContact O-CB 3.35Å; E250-H254 PolarHBondContact O-N 2.89Å; T251-H254 WeakPolarHBondContact O-CB 3.32Å; T251-H254 PolarHBondContact O-N 3.36Å; S252-H254 VanDerWaalsContact C-N 3.34Å; S252-H254 PolarHBondContact O-N 3.05Å; H254-L256 PolarHBondContact O-N 2.97Å; H254-K257 PolarHBondContact O-N 3.33Å; H254-L258 VanDerWaalsContact NE2-CD1 3.26Å; H254-L258 WeakPolarHBondContact NE2-CD1 3.27Å; H254-L258 WeakPolarHBondContact O-CG 3.46Å; H254-L258 PolarHBondContact O-N 2.89Å
255D88.6Confident86.2Confident41 Ų4169.2 Ų69.222%0.21935%0.351CS..Hα-helixtrans-63.8-40.3-179.8-73.2-10.2000111.8F223 V226 T251 S252 L258 M259F223-D255 HydrophobicContact CD1-CB 4.38Å; V226-D255 HydrophobicContact CG1-CB 3.84Å; V226-D255 HydrophobicContact CG2-CB 3.98Å; T251-D255 WeakPolarHBondContact O-CB 3.43Å; T251-D255 PolarHBondContact O-N 3.17Å; S252-D255 PolarHBondContact O-N 3.12Å; D255-L258 PolarHBondContact O-N 3.24Å; D255-M259 VanDerWaalsContact O-CB 3.3Å; D255-M259 WeakPolarHBondContact O-CB 3.29Å; D255-M259 PolarHBondContact O-N 2.93Å
256L90.2Very high86Confident10 Ų1069.1 Ų69.15%0.05235%0.346CS..Hα-helixtrans-61-47.2175.8-176.472.3000111.4V230 F234 Y239 S252 H254 L258 M259 L260V230-L256 HydrophobicContact CG2-CD1 3.59Å; F234-L256 HydrophobicContact CE2-CD1 4.19Å; F234-L256 HydrophobicContact CE2-CD2 4.06Å; F234-L256 HydrophobicContact CZ-CD2 4.09Å; Y239-L256 HydrophobicContact CD1-CD2 3.81Å; Y239-L256 HydrophobicContact CD2-CD2 3.92Å; Y239-L256 HydrophobicContact CE1-CD2 3.66Å; Y239-L256 HydrophobicContact CE2-CD2 3.79Å; Y239-L256 HydrophobicContact CG-CD2 3.91Å; S252-L256 WeakPolarHBondContact O-CB 3.29Å; S252-L256 PolarHBondContact O-N 3.13Å; H254-L256 PolarHBondContact O-N 2.97Å; L256-L258 PolarHBondContact O-N 2.76Å; L256-M259 HydrophobicContact CD1-CE 3.89Å; L256-M259 PolarHBondContact O-N 3.45Å; L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CG-CD1 4.32Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 2.94Å
257K89Confident85.7Confident154 Ų15464.1 Ų64.167%0.6732%0.322SS*.Hα-helixtrans-62.7-42.5176.9-74.6174.6-177.4176.40111.7C253 H254 S261C253-K257 VanDerWaalsContact O-CG 3.31Å; C253-K257 WeakPolarHBondContact O-CG 3.27Å; C253-K257 PolarHBondContact O-N 2.65Å; C253-K257 VanDerWaalsContact O-N 3.14Å; H254-K257 PolarHBondContact O-N 3.33Å; K257-S261 WeakPolarHBondContact O-CB 3.44Å; K257-S261 PolarHBondContact O-N 3.39Å; K257-S261 PolarHBondContact O-OG 3.46Å
258L86.4Confident85.6Confident45 Ų4559.7 Ų59.724%0.23631%0.311CS..Hα-helixtrans-64.5-42.8176.5-76.9-177.1000111.9F223 H254 D255 L256 L260 S261 Y262F223-L258 HydrophobicContact CE1-CB 3.84Å; F223-L258 HydrophobicContact CZ-CB 3.93Å; H254-L258 VanDerWaalsContact NE2-CD1 3.26Å; H254-L258 WeakPolarHBondContact NE2-CD1 3.27Å; H254-L258 WeakPolarHBondContact O-CG 3.46Å; H254-L258 PolarHBondContact O-N 2.89Å; D255-L258 PolarHBondContact O-N 3.24Å; L256-L258 PolarHBondContact O-N 2.76Å; L258-L260 PolarHBondContact O-N 3.41Å; L258-S261 CarbonylContact O-C 3.5Å; L258-S261 PolarHBondContact O-N 3.5Å; L258-S261 PolarHBondContact O-OG 3.37Å; L258-Y262 WeakPolarHBondContact O-CA 3.46Å; L258-Y262 VanDerWaalsContact O-CB 3.28Å; L258-Y262 WeakPolarHBondContact O-CB 3.16Å; L258-Y262 PolarHBondContact O-N 3.33Å
259M88.9Confident85.7Confident0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-61.4-45.2178.1-177.3-174.767.800111.5A216 N219 F223 V226 W227 V230 D255 L256 S261 Y262A216-M259 HydrophobicContact CB-CE 3.79Å; A216-M259 HydrophobicContact CB-SD 4.26Å; N219-M259 HydrophobicContact CB-CG 3.71Å; N219-M259 PolarHBondContact ND2-O 3.1Å; F223-M259 HydrophobicContact CB-CB 4.01Å; F223-M259 HydrophobicContact CB-CG 3.84Å; F223-M259 HydrophobicContact CB-SD 3.77Å; F223-M259 HydrophobicContact CD1-CB 3.96Å; F223-M259 HydrophobicContact CD2-CB 3.62Å; F223-M259 HydrophobicContact CD2-CG 3.62Å; F223-M259 HydrophobicContact CE1-CB 4.33Å; F223-M259 HydrophobicContact CE2-CB 4.03Å; F223-M259 HydrophobicContact CE2-CG 4.35Å; F223-M259 HydrophobicContact CG-CB 3.58Å; F223-M259 HydrophobicContact CG-CG 3.8Å; F223-M259 HydrophobicContact CG-SD 4.38Å; F223-M259 HydrophobicContact CZ-CB 4.36Å; V226-M259 HydrophobicContact CG2-CB 4.48Å; V226-M259 HydrophobicContact CG2-CE 4.46Å; V226-M259 HydrophobicContact CG2-SD 4.06Å; W227-M259 VanDerWaalsContact CA-SD 3.56Å; W227-M259 HydrophobicContact CB-CE 4.49Å; W227-M259 HydrophobicContact CB-SD 3.63Å; V230-M259 HydrophobicContact CG2-CE 3.49Å; V230-M259 VanDerWaalsContact CG2-CE 3.49Å; D255-M259 VanDerWaalsContact O-CB 3.3Å; D255-M259 WeakPolarHBondContact O-CB 3.29Å; D255-M259 PolarHBondContact O-N 2.93Å; L256-M259 HydrophobicContact CD1-CE 3.89Å; L256-M259 PolarHBondContact O-N 3.45Å; M259-S261 VanDerWaalsContact C-N 3.34Å; M259-S261 PolarHBondContact O-N 2.89Å; M259-Y262 WeakPolarHBondContact O-CB 3.39Å; M259-Y262 PolarHBondContact O-N 3.17Å
260L87.3Confident85.7Confident54 Ų5457.2 Ų57.228%0.28330%0.295SS..Hα-helixtrans-71.3-29.8-178.6-65.6179.8000112.8L212 T215 F234 L256 L258L212-L260 HydrophobicContact CD1-CD1 3.89Å; L212-L260 HydrophobicContact CD1-CD2 3.5Å; L212-L260 VanDerWaalsContact CD1-CD2 3.5Å; L212-L260 HydrophobicContact CD1-CG 4.35Å; T215-L260 HydrophobicContact CG2-CD2 4.4Å; F234-L260 HydrophobicContact CZ-CD1 4.32Å; L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CG-CD1 4.32Å; L256-L260 WeakPolarHBondContact O-CG 3.44Å; L256-L260 PolarHBondContact O-N 2.94Å; L258-L260 PolarHBondContact O-N 3.41Å
261S86Confident85.7Confident32 Ų3254.3 Ų54.322%0.22429%0.287CS..Hα-helixtrans-94.5-2.8175.961.50000113.9K257 L258 M259 A263 E264 V265K257-S261 WeakPolarHBondContact O-CB 3.44Å; K257-S261 PolarHBondContact O-N 3.39Å; K257-S261 PolarHBondContact O-OG 3.46Å; L258-S261 CarbonylContact O-C 3.5Å; L258-S261 PolarHBondContact O-N 3.5Å; L258-S261 PolarHBondContact O-OG 3.37Å; M259-S261 VanDerWaalsContact C-N 3.34Å; M259-S261 PolarHBondContact O-N 2.89Å; S261-A263 PolarHBondContact O-N 3.44Å; S261-A263 VanDerWaalsContact O-N 3.1Å; S261-E264 PolarHBondContact O-N 3.49Å; S261-V265 WeakPolarHBondContact O-CG2 3.46Å; S261-V265 PolarHBondContact O-N 3.49Å
262Y84.1Confident85.9Confident84 Ų8453.8 Ų53.833%0.32929%0.286SS..Hα-helixtrans-54.4-42.1-168.4-179.5-105.6000112.4Q222 F223 L258 M259 N266Q222-Y262 HydrophobicContact CG-CE1 4.36Å; F223-Y262 AromaticContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CD2 3.8Å; F223-Y262 HydrophobicContact CE2-CE2 4.47Å; F223-Y262 HydrophobicContact CE2-CG 4.01Å; F223-Y262 HydrophobicContact CZ-CD2 4.1Å; L258-Y262 WeakPolarHBondContact O-CA 3.46Å; L258-Y262 VanDerWaalsContact O-CB 3.28Å; L258-Y262 WeakPolarHBondContact O-CB 3.16Å; L258-Y262 PolarHBondContact O-N 3.33Å; M259-Y262 WeakPolarHBondContact O-CB 3.39Å; M259-Y262 PolarHBondContact O-N 3.17Å; Y262-N266 WeakPolarHBondContact O-CB 3.36Å; Y262-N266 PolarHBondContact O-N 2.86Å
263A77.5Confident86.1Confident8 Ų853.2 Ų53.27%0.06628%0.282CS..Hα-helixtrans-59.6-50.617800000112.8G162 S261 N266 E267G162-A263 VanDerWaalsContact O-CB 3.27Å; G162-A263 WeakPolarHBondContact O-CB 3.49Å; S261-A263 PolarHBondContact O-N 3.44Å; S261-A263 VanDerWaalsContact O-N 3.1Å; A263-N266 PolarHBondContact O-N 3.1Å; A263-E267 WeakPolarHBondContact O-CG 3.27Å; A263-E267 PolarHBondContact O-N 2.86Å
264E78.5Confident86.3Confident105 Ų10552.3 Ų52.349%0.49127%0.274SS..Hα-helixtrans-67.9-43.7-178.9-61.7179.5158.500110.6S261 N266 E267 A268S261-E264 PolarHBondContact O-N 3.49Å; E264-N266 VanDerWaalsContact C-N 3.3Å; E264-N266 PolarHBondContact O-N 2.82Å; E264-E267 PolarHBondContact O-N 3.26Å; E264-A268 VanDerWaalsContact O-CB 3.27Å; E264-A268 WeakPolarHBondContact O-CB 3.33Å; E264-A268 PolarHBondContact O-N 3.46Å
265V80.1Confident86.6Confident56 Ų5651.3 Ų51.334%0.33927%0.272SS..Hα-helixtrans-61.2-41.2176.4174.20000110.7S261 F269S261-V265 WeakPolarHBondContact O-CG2 3.46Å; S261-V265 PolarHBondContact O-N 3.49Å; V265-F269 WeakPolarHBondContact O-CB 3.36Å; V265-F269 PolarHBondContact O-N 3.21Å
266N82.8Confident86.8Confident52 Ų5249.4 Ų49.428%0.27826%0.262SS..Hα-helixtrans-69.3-42.1178.5-172.858.7000112.1Y262 A263 E264 F269 I270Y262-N266 WeakPolarHBondContact O-CB 3.36Å; Y262-N266 PolarHBondContact O-N 2.86Å; A263-N266 PolarHBondContact O-N 3.1Å; E264-N266 VanDerWaalsContact C-N 3.3Å; E264-N266 PolarHBondContact O-N 2.82Å; N266-F269 PolarHBondContact O-N 3.06Å; N266-I270 WeakPolarHBondContact O-CG1 3.45Å; N266-I270 PolarHBondContact O-N 2.86Å
267E82.2Confident87.1Confident59 Ų5949 Ų4928%0.27626%0.26SS..Hα-helixtrans-65.1-42.1174.3-70-54.4149.200112.2A263 E264 F269 I270 T271 K310A263-E267 WeakPolarHBondContact O-CG 3.27Å; A263-E267 PolarHBondContact O-N 2.86Å; E264-E267 PolarHBondContact O-N 3.26Å; E267-F269 VanDerWaalsContact C-N 3.32Å; E267-F269 PolarHBondContact O-N 3.15Å; E267-I270 PolarHBondContact O-N 3.35Å; E267-T271 WeakPolarHBondContact O-CB 3.42Å; E267-T271 PolarHBondContact O-N 3.17Å; E267-T271 PolarHBondContact O-OG1 3.4Å; E267-K310 IonicContact OE1-NZ 3.15Å; E267-K310 PolarHBondContact OE1-NZ 3.43Å; E267-K310 IonicContact OE2-NZ 2.77Å; E267-K310 PolarHBondContact OE2-NZ 3.29Å
268A83.3Confident87.3Confident54 Ų5448 Ų4845%0.44625%0.252SS..Hα-helixtrans-61.9-42.6174.700000110.9E264 T271 C272E264-A268 VanDerWaalsContact O-CB 3.27Å; E264-A268 WeakPolarHBondContact O-CB 3.33Å; E264-A268 PolarHBondContact O-N 3.46Å; A268-T271 WeakPolarHBondContact O-CB 3.47Å; A268-T271 PolarHBondContact O-N 3.44Å; A268-C272 PolarHBondContact O-N 2.89Å; A268-C272 PolarHBondContact O-SG 2.85Å
269F87.5Confident87.6Confident62 Ų6252.8 Ų52.827%0.27227%0.273SS..Hα-helixtrans-59.7-49.3175.4177.8-110.5000111.8V265 N266 E267 T271 C272 V273 F332 L340 T344V265-F269 WeakPolarHBondContact O-CB 3.36Å; V265-F269 PolarHBondContact O-N 3.21Å; N266-F269 PolarHBondContact O-N 3.06Å; E267-F269 VanDerWaalsContact C-N 3.32Å; E267-F269 PolarHBondContact O-N 3.15Å; F269-T271 VanDerWaalsContact C-N 3.27Å; F269-T271 PolarHBondContact O-N 3.36Å; F269-C272 WeakPolarHBondContact O-CB 3.26Å; F269-C272 PolarHBondContact O-N 3.2Å; F269-V273 HydrophobicContact CD1-CG2 4.31Å; F269-V273 HydrophobicContact CD2-CG2 4.39Å; F269-V273 HydrophobicContact CE1-CG2 3.85Å; F269-V273 HydrophobicContact CE2-CG2 3.92Å; F269-V273 HydrophobicContact CZ-CG2 3.64Å; F269-V273 WeakPolarHBondContact O-CG2 3.39Å; F269-V273 PolarHBondContact O-N 2.95Å; F269-F332 HydrophobicContact CD1-CE2 4.49Å; F269-F332 HydrophobicContact CE1-CD2 4.15Å; F269-F332 AromaticContact CE1-CE2 3.9Å; F269-F332 HydrophobicContact CE1-CE2 3.9Å; F269-L340 HydrophobicContact CE2-CD1 4.43Å; F269-T344 HydrophobicContact CE2-CG2 3.39Å; F269-T344 HydrophobicContact CZ-CG2 3.79Å
270I87.9Confident87.8Confident9 Ų955.4 Ų55.45%0.04629%0.292CS..Hα-helixtrans-60.2-40177.1-68.3166.3000111N266 E267 V273 N274 K310 F332N266-I270 WeakPolarHBondContact O-CG1 3.45Å; N266-I270 PolarHBondContact O-N 2.86Å; E267-I270 PolarHBondContact O-N 3.35Å; I270-V273 WeakPolarHBondContact O-CB 3.28Å; I270-V273 PolarHBondContact O-N 3.43Å; I270-N274 WeakPolarHBondContact O-CB 3.44Å; I270-N274 VanDerWaalsContact O-CG 3.3Å; I270-N274 PolarHBondContact O-N 3.49Å; I270-K310 HydrophobicContact CD1-CD 4.11Å; I270-K310 HydrophobicContact CG2-CD 3.97Å; I270-F332 HydrophobicContact CG1-CZ 3.97Å
271T88.1Confident88Confident77 Ų7754.4 Ų54.447%0.47228%0.284SS..Hα-helixtrans-61.6-47.1176.2-57.30000111.1E267 A268 F269 V273 N274 L275E267-T271 WeakPolarHBondContact O-CB 3.42Å; E267-T271 PolarHBondContact O-N 3.17Å; E267-T271 PolarHBondContact O-OG1 3.4Å; A268-T271 WeakPolarHBondContact O-CB 3.47Å; A268-T271 PolarHBondContact O-N 3.44Å; F269-T271 VanDerWaalsContact C-N 3.27Å; F269-T271 PolarHBondContact O-N 3.36Å; T271-V273 VanDerWaalsContact C-N 3.32Å; T271-V273 PolarHBondContact O-N 2.86Å; T271-N274 PolarHBondContact O-N 3.34Å; T271-L275 HydrophobicContact CG2-CD1 4.4Å; T271-L275 WeakPolarHBondContact O-CG 3.39Å; T271-L275 PolarHBondContact O-N 3.24Å
272C90.5Very high88.4Confident61 Ų6157.5 Ų57.541%0.41230%0.295SS..Hα-helixtrans-61-39.8175-68.80000112.3A268 F269 L275 A276 L340A268-C272 PolarHBondContact O-N 2.89Å; A268-C272 PolarHBondContact O-SG 2.85Å; F269-C272 WeakPolarHBondContact O-CB 3.26Å; F269-C272 PolarHBondContact O-N 3.2Å; C272-L275 PolarHBondContact O-N 3.47Å; C272-A276 WeakPolarHBondContact O-CB 3.26Å; C272-A276 PolarHBondContact O-N 2.88Å; C272-L340 HydrophobicContact CB-CD1 4.24Å; C272-L340 HydrophobicContact CB-CD2 4.1Å; C272-L340 WeakPolarHBondContact O-CD2 3.41Å
273V92.6Very high88.7Confident0 Ų060.4 Ų60.40%031%0.312CS..Hα-helixtrans-61.7-48.2175.2168.10000110.7F269 I270 T271 L275 A276 Q277 F332 L334 L340F269-V273 HydrophobicContact CD1-CG2 4.31Å; F269-V273 HydrophobicContact CD2-CG2 4.39Å; F269-V273 HydrophobicContact CE1-CG2 3.85Å; F269-V273 HydrophobicContact CE2-CG2 3.92Å; F269-V273 HydrophobicContact CZ-CG2 3.64Å; F269-V273 WeakPolarHBondContact O-CG2 3.39Å; F269-V273 PolarHBondContact O-N 2.95Å; I270-V273 WeakPolarHBondContact O-CB 3.28Å; I270-V273 PolarHBondContact O-N 3.43Å; T271-V273 VanDerWaalsContact C-N 3.32Å; T271-V273 PolarHBondContact O-N 2.86Å; V273-L275 VanDerWaalsContact C-N 3.29Å; V273-L275 PolarHBondContact O-N 2.9Å; V273-A276 PolarHBondContact O-N 3.28Å; V273-Q277 HydrophobicContact CG1-CG 4.17Å; V273-Q277 WeakPolarHBondContact O-CB 3.42Å; V273-Q277 WeakPolarHBondContact O-CG 3.34Å; V273-Q277 PolarHBondContact O-N 2.98Å; V273-F332 HydrophobicContact CG1-CB 4.1Å; V273-F332 HydrophobicContact CG1-CD1 3.72Å; V273-F332 HydrophobicContact CG1-CD2 4.46Å; V273-F332 HydrophobicContact CG1-CE1 4.21Å; V273-F332 HydrophobicContact CG1-CG 3.86Å; V273-F332 HydrophobicContact CG2-CD2 4.49Å; V273-L334 HydrophobicContact CB-CD2 4.45Å; V273-L334 HydrophobicContact CG1-CD2 3.83Å; V273-L334 HydrophobicContact CG2-CD2 4.11Å; V273-L340 HydrophobicContact CB-CD2 4.43Å; V273-L340 HydrophobicContact CG2-CD2 3.91Å
274N93.4Very high89.5Confident22 Ų2261.6 Ų61.612%0.11832%0.316CS..Hα-helixtrans-60.7-39.5179.2-73.8-9.5000112.1I270 T271 Q277 R278 K310 S312I270-N274 WeakPolarHBondContact O-CB 3.44Å; I270-N274 VanDerWaalsContact O-CG 3.3Å; I270-N274 PolarHBondContact O-N 3.49Å; T271-N274 PolarHBondContact O-N 3.34Å; N274-Q277 PolarHBondContact O-N 3.29Å; N274-R278 WeakPolarHBondContact O-CB 3.2Å; N274-R278 VanDerWaalsContact O-CG 3.31Å; N274-R278 WeakPolarHBondContact O-CG 3.41Å; N274-R278 PolarHBondContact O-N 3.29Å; N274-K310 PolarHBondContact ND2-O 3.03Å; N274-S312 WeakPolarHBondContact OD1-CA 3.44Å; N274-S312 WeakPolarHBondContact OD1-CB 3.48Å; N274-S312 PolarHBondContact OD1-OG 3.03Å
275L93.5Very high90.2Very high92 Ų9257.4 Ų57.448%0.48230%0.296SS..Hα-helixtrans-63.3-51.5175-69.9170.6000111.3T271 C272 V273 Q277 R278 E279T271-L275 HydrophobicContact CG2-CD1 4.4Å; T271-L275 WeakPolarHBondContact O-CG 3.39Å; T271-L275 PolarHBondContact O-N 3.24Å; C272-L275 PolarHBondContact O-N 3.47Å; V273-L275 VanDerWaalsContact C-N 3.29Å; V273-L275 PolarHBondContact O-N 2.9Å; L275-Q277 PolarHBondContact O-N 3.47Å; L275-R278 PolarHBondContact O-N 2.95Å; L275-E279 WeakPolarHBondContact O-CG 3.45Å; L275-E279 PolarHBondContact O-N 3.06Å
276A93.6Very high90.9Very high1 Ų157.2 Ų57.21%0.00830%0.298CS..Hα-helixtrans-59-37.2178.300000112.8C272 V273 S280 H338 L340C272-A276 WeakPolarHBondContact O-CB 3.26Å; C272-A276 PolarHBondContact O-N 2.88Å; V273-A276 PolarHBondContact O-N 3.28Å; A276-S280 PolarHBondContact O-N 3.09Å; A276-S280 PolarHBondContact O-OG 3.16Å; A276-H338 WeakPolarHBondContact CB-CE1 3.45Å; A276-L340 HydrophobicContact CB-CD2 3.91Å
277Q95Very high91.3Very high1 Ų156.2 Ų56.21%0.00529%0.294CS..Hα-helixtrans-69.4-43.3177.8-74.7175.9-17.300111.8V273 N274 L275 S280 Y281 I285 L313 I333V273-Q277 HydrophobicContact CG1-CG 4.17Å; V273-Q277 WeakPolarHBondContact O-CB 3.42Å; V273-Q277 WeakPolarHBondContact O-CG 3.34Å; V273-Q277 PolarHBondContact O-N 2.98Å; N274-Q277 PolarHBondContact O-N 3.29Å; L275-Q277 PolarHBondContact O-N 3.47Å; Q277-S280 PolarHBondContact O-N 3.4Å; Q277-Y281 WeakPolarHBondContact O-CA 3.32Å; Q277-Y281 WeakPolarHBondContact O-CB 3.22Å; Q277-Y281 PolarHBondContact O-N 3.27Å; Q277-I285 HydrophobicContact CB-CD1 4.02Å; Q277-I285 WeakPolarHBondContact O-CD1 3.32Å; Q277-L313 HydrophobicContact CG-CB 4.31Å; Q277-L313 PolarHBondContact NE2-O 3.2Å; Q277-I333 WeakPolarHBondContact CG-O 3.3Å; Q277-I333 PolarHBondContact NE2-O 2.82Å
278R93.4Very high91.8Very high134 Ų13455 Ų5551%0.50629%0.29SS..Hα-helixtrans-60.4-44.5174.3-75.5177.7-174.2177.21.2111.7N274 L275 S280 E282 I285N274-R278 WeakPolarHBondContact O-CB 3.2Å; N274-R278 VanDerWaalsContact O-CG 3.31Å; N274-R278 WeakPolarHBondContact O-CG 3.41Å; N274-R278 PolarHBondContact O-N 3.29Å; L275-R278 PolarHBondContact O-N 2.95Å; R278-S280 PolarHBondContact O-N 3.19Å; R278-E282 WeakPolarHBondContact CA-OE2 3.35Å; R278-E282 WeakPolarHBondContact CB-OE2 3.24Å; R278-E282 VanDerWaalsContact O-CB 3.3Å; R278-E282 WeakPolarHBondContact O-CB 3.37Å; R278-E282 PolarHBondContact O-N 3.07Å; R278-I285 HydrophobicContact CG-CD1 4.02Å
279E93.4Very high92.2Very high145 Ų14556 Ų5668%0.67829%0.294SS*.Hα-helixtrans-59.6-32.6178.5-71.6175.5-167.400113.8L275 H338L275-E279 WeakPolarHBondContact O-CG 3.45Å; L275-E279 PolarHBondContact O-N 3.06Å; E279-H338 IonicContact OE2-CD2 3.72Å; E279-H338 IonicContact OE2-NE2 2.84Å; E279-H338 PolarHBondContact OE2-NE2 3.34Å
280S92.1Very high92.4Very high56 Ų5656.6 Ų56.639%0.39231%0.305SS..Hα-helixtrans-105.1-23.3-174.1-62.70000115.2A276 Q277 R278 P335A276-S280 PolarHBondContact O-N 3.09Å; A276-S280 PolarHBondContact O-OG 3.16Å; Q277-S280 PolarHBondContact O-N 3.4Å; R278-S280 PolarHBondContact O-N 3.19Å; S280-P335 VanDerWaalsContact OG-CB 3.26Å; S280-P335 WeakPolarHBondContact OG-CB 3.36Å; S280-P335 VanDerWaalsContact OG-CG 3.3Å; S280-P335 WeakPolarHBondContact OG-CG 3.29Å
281Y93.4Very high92.4Very high33 Ų3365.6 Ų65.613%0.12934%0.344CS..Hα-helixtrans-135.928.8-169.6-53.9-59.3000112.4Q277 E283 E284 I285 I300 L313 I333 P335Q277-Y281 WeakPolarHBondContact O-CA 3.32Å; Q277-Y281 WeakPolarHBondContact O-CB 3.22Å; Q277-Y281 PolarHBondContact O-N 3.27Å; Y281-E283 VanDerWaalsContact C-N 3.26Å; Y281-E283 PolarHBondContact O-N 3.25Å; Y281-E284 WeakPolarHBondContact CA-OE2 3.36Å; Y281-E284 PolarHBondContact O-N 2.89Å; Y281-E284 VanDerWaalsContact O-N 3.15Å; Y281-I285 WeakPolarHBondContact O-CB 3.23Å; Y281-I285 VanDerWaalsContact O-CG1 3.27Å; Y281-I285 WeakPolarHBondContact O-CG1 3.48Å; Y281-I285 PolarHBondContact O-N 2.81Å; Y281-I300 HydrophobicContact CD1-CD1 4.32Å; Y281-I300 HydrophobicContact CD1-CG2 4.33Å; Y281-I300 HydrophobicContact CE1-CG2 3.68Å; Y281-I300 HydrophobicContact CG-CD1 4.49Å; Y281-L313 HydrophobicContact CD2-CD2 3.89Å; Y281-L313 HydrophobicContact CG-CD2 4.14Å; Y281-I333 HydrophobicContact CE2-CG2 4.09Å; Y281-P335 HydrophobicContact CE2-CB 3.99Å; Y281-P335 HydrophobicContact CE2-CG 4.24Å; Y281-P335 WeakPolarHBondContact OH-CA 3.46Å
282E92.9Very high92.4Very high96 Ų9668.5 Ų68.545%0.44935%0.35SS..Hα-helixtrans-53.9-41.2-177.8-169.758.6-155.400112.8R278 I285 S286R278-E282 WeakPolarHBondContact CA-OE2 3.35Å; R278-E282 WeakPolarHBondContact CB-OE2 3.24Å; R278-E282 VanDerWaalsContact O-CB 3.3Å; R278-E282 WeakPolarHBondContact O-CB 3.37Å; R278-E282 PolarHBondContact O-N 3.07Å; E282-I285 PolarHBondContact O-N 2.81Å; E282-S286 VanDerWaalsContact O-CB 3.27Å; E282-S286 WeakPolarHBondContact O-CB 3.17Å; E282-S286 PolarHBondContact O-N 3.22Å; E282-S286 PolarHBondContact O-OG 2.89Å
283E91.9Very high92.2Very high146 Ų14673.7 Ų73.768%0.68237%0.373SS*.Hα-helixtrans-63.2-47.5178.4-66.8-177.8-171.300111.2Y281 S286 C287Y281-E283 VanDerWaalsContact C-N 3.26Å; Y281-E283 PolarHBondContact O-N 3.25Å; E283-S286 PolarHBondContact O-N 3.47Å; E283-C287 VanDerWaalsContact O-CB 3.28Å; E283-C287 WeakPolarHBondContact O-CB 3.25Å; E283-C287 PolarHBondContact O-N 3.2Å
284E93.9Very high92Very high32 Ų3274.8 Ų74.815%0.1538%0.379CS..Hα-helixtrans-65.6-40.3177.1-69.695.6159.900112.4Y281 C287 L288 L294 S298 I300Y281-E284 WeakPolarHBondContact CA-OE2 3.36Å; Y281-E284 PolarHBondContact O-N 2.89Å; Y281-E284 VanDerWaalsContact O-N 3.15Å; E284-C287 WeakPolarHBondContact O-CB 3.3Å; E284-C287 PolarHBondContact O-N 3.45Å; E284-L288 WeakPolarHBondContact O-CB 3.42Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.17Å; E284-L288 PolarHBondContact O-N 3.17Å; E284-L294 HydrophobicContact CB-CD1 4.44Å; E284-L294 HydrophobicContact CB-CD2 3.73Å; E284-L294 HydrophobicContact CG-CD1 4.21Å; E284-L294 HydrophobicContact CG-CD2 3.75Å; E284-S298 PolarHBondContact OE1-OG 3.48Å; E284-I300 HydrophobicContact CB-CD1 4.09Å; E284-I300 HydrophobicContact CG-CD1 4.01Å; E284-I300 HydrophobicContact CG-CG1 4.27Å
285I93.7Very high91.7Very high17 Ų1781.7 Ų81.79%0.08740%0.403CS..Hα-helixtrans-64.8-44.5177.7-68.6164.2000110.6Q277 R278 Y281 E282 C287 L288 S289 L307Q277-I285 HydrophobicContact CB-CD1 4.02Å; Q277-I285 WeakPolarHBondContact O-CD1 3.32Å; R278-I285 HydrophobicContact CG-CD1 4.02Å; Y281-I285 WeakPolarHBondContact O-CB 3.23Å; Y281-I285 VanDerWaalsContact O-CG1 3.27Å; Y281-I285 WeakPolarHBondContact O-CG1 3.48Å; Y281-I285 PolarHBondContact O-N 2.81Å; E282-I285 PolarHBondContact O-N 2.81Å; I285-C287 VanDerWaalsContact C-N 3.3Å; I285-C287 PolarHBondContact O-N 3.28Å; I285-L288 PolarHBondContact O-N 3.46Å; I285-S289 VanDerWaalsContact O-CB 3.28Å; I285-S289 WeakPolarHBondContact O-CB 3.24Å; I285-S289 PolarHBondContact O-N 3.3Å; I285-S289 PolarHBondContact O-OG 3.35Å; I285-L307 HydrophobicContact CG1-CD2 4.42Å; I285-L307 HydrophobicContact CG2-CD1 4.46Å; I285-L307 HydrophobicContact CG2-CD2 4.41Å
286S93.4Very high91.4Very high53 Ų5383 Ų8337%0.37141%0.414SS..Hα-helixtrans-63-36.6175.6-69.20000112.4E282 E283 S289 S290E282-S286 VanDerWaalsContact O-CB 3.27Å; E282-S286 WeakPolarHBondContact O-CB 3.17Å; E282-S286 PolarHBondContact O-N 3.22Å; E282-S286 PolarHBondContact O-OG 2.89Å; E283-S286 PolarHBondContact O-N 3.47Å; S286-S289 WeakPolarHBondContact CA-OG 3.48Å; S286-S289 PolarHBondContact O-OG 3.03Å; S286-S290 WeakPolarHBondContact O-CB 3.37Å; S286-S290 PolarHBondContact O-N 2.93Å; S286-S290 PolarHBondContact O-OG 3.01Å
287C92.6Very high91Very high30 Ų3089.3 Ų89.320%0.20344%0.444CS..Hα-helixtrans-68.1-48.4176.2-1690000111.7E283 E284 I285 S290 K291 K292 L293 L294E283-C287 VanDerWaalsContact O-CB 3.28Å; E283-C287 WeakPolarHBondContact O-CB 3.25Å; E283-C287 PolarHBondContact O-N 3.2Å; E284-C287 WeakPolarHBondContact O-CB 3.3Å; E284-C287 PolarHBondContact O-N 3.45Å; I285-C287 VanDerWaalsContact C-N 3.3Å; I285-C287 PolarHBondContact O-N 3.28Å; C287-S290 CarbonylContact O-C 3.53Å; C287-S290 PolarHBondContact O-N 3.06Å; C287-K291 PolarHBondContact O-N 3.15Å; C287-K292 PolarHBondContact O-N 3.42Å; C287-K292 WeakPolarHBondContact SG-CB 3.42Å; C287-L293 PolarHBondContact SG-O 3.26Å; C287-L293 VanDerWaalsContact SG-O 3.34Å; C287-L294 HydrophobicContact CB-CD2 3.91Å
288L92.5Very high90.7Very high34 Ų3489.9 Ų89.918%0.17845%0.448CS..Hα-helixtrans-68.8-35.6-179.9-71.1172.4000112.6E284 I285 S290 K291 L294 P305 L307 L313E284-L288 WeakPolarHBondContact O-CB 3.42Å; E284-L288 VanDerWaalsContact O-CG 3.3Å; E284-L288 WeakPolarHBondContact O-CG 3.17Å; E284-L288 PolarHBondContact O-N 3.17Å; I285-L288 PolarHBondContact O-N 3.46Å; L288-S290 PolarHBondContact O-N 3.31Å; L288-K291 WeakPolarHBondContact O-CA 3.4Å; L288-K291 PolarHBondContact O-N 3.45Å; L288-L294 HydrophobicContact CD1-CD1 4.44Å; L288-L294 HydrophobicContact CD1-CD2 4.49Å; L288-L294 HydrophobicContact CD2-CD2 4.33Å; L288-L294 HydrophobicContact CD2-CG 4.12Å; L288-L294 HydrophobicContact CG-CD2 3.99Å; L288-L294 HydrophobicContact CG-CG 4.26Å; L288-P305 HydrophobicContact CD1-CB 4.32Å; L288-L307 HydrophobicContact CB-CD1 3.81Å; L288-L307 HydrophobicContact CB-CG 3.91Å; L288-L307 HydrophobicContact CD1-CG 4.42Å; L288-L313 HydrophobicContact CD1-CD1 3.43Å; L288-L313 VanDerWaalsContact CD1-CD1 3.43Å
289S91.7Very high90.3Very high76 Ų7692.7 Ų92.753%0.53146%0.464SS..Hα-helixtrans-63.8-33.7174.569.20000111.5I285 S286 K291I285-S289 VanDerWaalsContact O-CB 3.28Å; I285-S289 WeakPolarHBondContact O-CB 3.24Å; I285-S289 PolarHBondContact O-N 3.3Å; I285-S289 PolarHBondContact O-OG 3.35Å; S286-S289 WeakPolarHBondContact CA-OG 3.48Å; S286-S289 PolarHBondContact O-OG 3.03Å; S289-K291 PolarHBondContact O-N 2.86Å
290S91.9Very high90.1Very high73 Ų7386 Ų8651%0.5143%0.433SS..THydrogen-bonded Turntrans-79.65.4172.5-57.20000113.9S286 C287 L288 K292S286-S290 WeakPolarHBondContact O-CB 3.37Å; S286-S290 PolarHBondContact O-N 2.93Å; S286-S290 PolarHBondContact O-OG 3.01Å; C287-S290 CarbonylContact O-C 3.53Å; C287-S290 PolarHBondContact O-N 3.06Å; L288-S290 PolarHBondContact O-N 3.31Å; S290-K292 PolarHBondContact O-N 3Å
291K87.1Confident89.9Confident198 Ų19886.5 Ų86.586%0.86143%0.431SS*.THydrogen-bonded Turntrans54.327.9-174.5-58-177.5179.1179.70114.1C287 L288 S289C287-K291 PolarHBondContact O-N 3.15Å; L288-K291 WeakPolarHBondContact O-CA 3.4Å; L288-K291 PolarHBondContact O-N 3.45Å; S289-K291 PolarHBondContact O-N 2.86Å
292K88.6Confident89.6Confident138 Ų13891 Ų9160%0.646%0.462SS*.PPolyproline II helixtrans-89.4151.9176-68.7178.7-177.3176.30110.3C287 S290C287-K292 PolarHBondContact O-N 3.42Å; C287-K292 WeakPolarHBondContact SG-CB 3.42Å; S290-K292 PolarHBondContact O-N 3Å
293L86.1Confident89.3Confident170 Ų17089.9 Ų89.989%0.8946%0.458SS*.PPolyproline II helixtrans-70.2139.2174.1-70.8169000110.3C287C287-L293 PolarHBondContact SG-O 3.26Å; C287-L293 VanDerWaalsContact SG-O 3.34Å
294L87.8Confident89.2Confident23 Ų2386.1 Ų86.112%0.1245%0.448CS..PPolyproline II helixtrans-67.6151.9176-71.6-172.8000112E284 C287 L288 L301 P305E284-L294 HydrophobicContact CB-CD1 4.44Å; E284-L294 HydrophobicContact CB-CD2 3.73Å; E284-L294 HydrophobicContact CG-CD1 4.21Å; E284-L294 HydrophobicContact CG-CD2 3.75Å; C287-L294 HydrophobicContact CB-CD2 3.91Å; L288-L294 HydrophobicContact CD1-CD1 4.44Å; L288-L294 HydrophobicContact CD1-CD2 4.49Å; L288-L294 HydrophobicContact CD2-CD2 4.33Å; L288-L294 HydrophobicContact CD2-CG 4.12Å; L288-L294 HydrophobicContact CG-CD2 3.99Å; L288-L294 HydrophobicContact CG-CG 4.26Å; L294-L301 HydrophobicContact CB-CD1 3.94Å; L294-P305 HydrophobicContact CD1-CB 4.36Å; L294-P305 HydrophobicContact CD1-CG 3.19Å; L294-P305 HydrophobicContact CG-CG 4.47Å
295R87.9Confident89.2Confident167 Ų16785.3 Ų85.363%0.6345%0.446SS*.PPolyproline II helixtrans-65.3139.1176.4-168.5177.470.2-175.5-1.8110.3Q297 S298R295-Q297 PolarHBondContact O-N 3.46Å; R295-Q297 VanDerWaalsContact O-N 3.09Å; R295-S298 WeakPolarHBondContact O-CB 3.46Å; R295-S298 PolarHBondContact O-N 2.93Å
296V86.5Confident89.2Confident119 Ų11986.7 Ų86.772%0.72145%0.451SS*.THydrogen-bonded Turntrans-54.4-32.1-179.8-179.30000112.6S298V296-S298 VanDerWaalsContact C-N 3.31Å; V296-S298 PolarHBondContact O-N 3.46Å
297Q85.9Confident89.2Confident135 Ų13586.2 Ų86.263%0.63144%0.444SS*.THydrogen-bonded Turntrans-81.81.9177.9-61.183.65.900114.8R295 K299R295-Q297 PolarHBondContact O-N 3.46Å; R295-Q297 VanDerWaalsContact O-N 3.09Å; Q297-K299 PolarHBondContact O-N 3Å
298S87.2Confident89.2Confident13 Ų1385.7 Ų85.79%0.09144%0.44CS..  trans-65.4132.6177.8176.90000110.4E284 R295 V296 I300 L301E284-S298 PolarHBondContact OE1-OG 3.48Å; R295-S298 WeakPolarHBondContact O-CB 3.46Å; R295-S298 PolarHBondContact O-N 2.93Å; V296-S298 VanDerWaalsContact C-N 3.31Å; V296-S298 PolarHBondContact O-N 3.46Å; S298-I300 PolarHBondContact O-N 3.28Å; S298-I300 VanDerWaalsContact OG-CG1 3.27Å; S298-I300 WeakPolarHBondContact OG-CG1 3.49Å; S298-I300 PolarHBondContact OG-N 3.4Å; S298-L301 WeakPolarHBondContact O-CB 3.28Å; S298-L301 PolarHBondContact O-N 3.43Å
299K85.4Confident89Confident193 Ų19393.8 Ų93.884%0.83948%0.477SS*.THydrogen-bonded Turntrans-64.8-21.1-178.3-63.1177.2-176169.40112.8Q297Q297-K299 PolarHBondContact O-N 3Å
300I88.8Confident88.7Confident5 Ų594.6 Ų94.63%0.02647%0.471CS..THydrogen-bonded Turntrans-104.1-1.8-17660.5165.1000113Y281 E284 S298 T302 L303 P305 L313 I333Y281-I300 HydrophobicContact CD1-CD1 4.32Å; Y281-I300 HydrophobicContact CD1-CG2 4.33Å; Y281-I300 HydrophobicContact CE1-CG2 3.68Å; Y281-I300 HydrophobicContact CG-CD1 4.49Å; E284-I300 HydrophobicContact CB-CD1 4.09Å; E284-I300 HydrophobicContact CG-CD1 4.01Å; E284-I300 HydrophobicContact CG-CG1 4.27Å; S298-I300 PolarHBondContact O-N 3.28Å; S298-I300 VanDerWaalsContact OG-CG1 3.27Å; S298-I300 WeakPolarHBondContact OG-CG1 3.49Å; S298-I300 PolarHBondContact OG-N 3.4Å; I300-T302 PolarHBondContact O-N 2.84Å; I300-L303 HydrophobicContact CB-CD1 4.47Å; I300-L303 HydrophobicContact CG2-CD1 4.49Å; I300-L303 WeakPolarHBondContact O-CB 3.3Å; I300-L303 PolarHBondContact O-N 3.34Å; I300-P305 HydrophobicContact CD1-CB 4.08Å; I300-P305 HydrophobicContact CD1-CG 4.18Å; I300-P305 HydrophobicContact CG1-CG 4.3Å; I300-P305 WeakPolarHBondContact O-CD 3.4Å; I300-L313 HydrophobicContact CD1-CD2 3.66Å; I300-I333 HydrophobicContact CB-CG2 4.48Å; I300-I333 HydrophobicContact CG2-CG2 3.94Å
301L88.1Confident88.6Confident66 Ų6692.5 Ų92.535%0.34646%0.46SS..G310 helixtrans-57.4-36.5-177.9-176.765.2000112.4L294 S298 L303 S304L294-L301 HydrophobicContact CB-CD1 3.94Å; S298-L301 WeakPolarHBondContact O-CB 3.28Å; S298-L301 PolarHBondContact O-N 3.43Å; L301-L303 PolarHBondContact O-N 3.06Å; L301-S304 PolarHBondContact O-N 3.48Å
302T87Confident88.9Confident127 Ų12783.1 Ų83.178%0.77942%0.419SS*.G310 helixtrans-63.3-20177.854.60000113.5I300 S304I300-T302 PolarHBondContact O-N 2.84Å; T302-S304 VanDerWaalsContact C-N 3.29Å
303L88.1Confident89.2Confident72 Ų7276.5 Ų76.538%0.37739%0.391SS..G310 helixtrans-86.93177.3-56.3177.6000113I300 L301 A315 Q316 I333I300-L303 HydrophobicContact CB-CD1 4.47Å; I300-L303 HydrophobicContact CG2-CD1 4.49Å; I300-L303 WeakPolarHBondContact O-CB 3.3Å; I300-L303 PolarHBondContact O-N 3.34Å; L301-L303 PolarHBondContact O-N 3.06Å; L303-A315 HydrophobicContact CB-CB 4.17Å; L303-A315 WeakPolarHBondContact O-CA 3.4Å; L303-Q316 PolarHBondContact O-N 3.49Å; L303-I333 HydrophobicContact CB-CD1 4.08Å; L303-I333 HydrophobicContact CD1-CD1 4.23Å; L303-I333 HydrophobicContact CD1-CG1 4.29Å; L303-I333 HydrophobicContact CD1-CG2 4.21Å
304S88.8Confident89.6Confident68 Ų6868.8 Ų68.848%0.47635%0.35SS..  trans47.762.9-175.9-56.50000111.9L301 T302 Q316L301-S304 PolarHBondContact O-N 3.48Å; T302-S304 VanDerWaalsContact C-N 3.29Å; S304-Q316 WeakPolarHBondContact O-CB 3.24Å; S304-Q316 PolarHBondContact O-N 2.84Å
305P93.4Very high89.8Confident15 Ų1568.4 Ų68.410%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-74142.3-169.631.5-36.8000112.2L288 L294 I300 L313 R314 I333L288-P305 HydrophobicContact CD1-CB 4.32Å; L294-P305 HydrophobicContact CD1-CB 4.36Å; L294-P305 HydrophobicContact CD1-CG 3.19Å; L294-P305 HydrophobicContact CG-CG 4.47Å; I300-P305 HydrophobicContact CD1-CB 4.08Å; I300-P305 HydrophobicContact CD1-CG 4.18Å; I300-P305 HydrophobicContact CG1-CG 4.3Å; I300-P305 WeakPolarHBondContact O-CD 3.4Å; P305-L313 HydrophobicContact CB-CD1 4.11Å; P305-R314 WeakPolarHBondContact CA-O 3.17Å; P305-I333 HydrophobicContact CB-CD1 3.55Å
306F93.6Very high89.7Confident45 Ų4564.1 Ų64.120%0.19734%0.337CS..EExtended strand (participates in β ladder)trans-144.1162.6172.473.4-81.7000111R314 Q316 H330F306-R314 HydrophobicContact CD1-CB 4.38Å; F306-R314 WeakPolarHBondContact CD1-O 3.17Å; F306-R314 HydrophobicContact CE1-CB 3.82Å; F306-R314 HydrophobicContact CE2-CB 4.37Å; F306-R314 HydrophobicContact CZ-CB 3.83Å; F306-R314 PolarHBondContact N-O 3.33Å; F306-R314 PolarHBondContact O-N 2.51Å; F306-Q316 HydrophobicContact CD1-CB 3.95Å; F306-Q316 HydrophobicContact CE1-CB 4.01Å; F306-H330 HydrophobicContact CE1-CB 4.14Å; F306-H330 AromaticContact CE1-ND1 3.54Å; F306-H330 HydrophobicContact CZ-CB 3.77Å; F306-H330 AromaticContact CZ-CG 3.62Å; F306-H330 AromaticContact CZ-ND1 3.55Å
307L94.3Very high89.3Confident43 Ų4360.4 Ų60.423%0.22532%0.322CS..EExtended strand (participates in β ladder)trans-96.6132.7175-65.9175.1000110.6I285 L288 S312 L313I285-L307 HydrophobicContact CG1-CD2 4.42Å; I285-L307 HydrophobicContact CG2-CD1 4.46Å; I285-L307 HydrophobicContact CG2-CD2 4.41Å; L288-L307 HydrophobicContact CB-CD1 3.81Å; L288-L307 HydrophobicContact CB-CG 3.91Å; L288-L307 HydrophobicContact CD1-CG 4.42Å; L307-S312 WeakPolarHBondContact CA-O 3.07Å; L307-L313 HydrophobicContact CD2-CB 4.31Å; L307-L313 HydrophobicContact CD2-CD1 3.92Å
308D91.5Very high89.1Confident20 Ų2065.4 Ų65.411%0.10734%0.336CS..  trans-79.7-179.9172.177.36.1000112.6K310 G311 S312 R314D308-K310 PolarHBondContact O-N 3.34Å; D308-K310 VanDerWaalsContact O-N 3.16Å; D308-K310 VanDerWaalsContact OD1-CA 3.31Å; D308-K310 WeakPolarHBondContact OD1-CA 3.37Å; D308-K310 WeakPolarHBondContact OD1-CB 3.27Å; D308-K310 PolarHBondContact OD1-N 2.8Å; D308-G311 PolarHBondContact O-N 3.1Å; D308-G311 PolarHBondContact OD1-N 3.23Å; D308-S312 PolarHBondContact N-O 2.96Å; D308-S312 WeakPolarHBondContact OD1-CB 3.23Å; D308-S312 PolarHBondContact OD1-N 3.19Å; D308-R314 IonicContact OD2-CZ 3.37Å; D308-R314 IonicContact OD2-NE 3.8Å; D308-R314 PolarHBondContact OD2-NE 3.46Å; D308-R314 IonicContact OD2-NH2 3.42Å; D308-R314 PolarHBondContact OD2-NH2 2.89Å; D308-R314 VanDerWaalsContact OD2-NH2 3.15Å
309Q88.7Confident88.7Confident204 Ų20468.5 Ų68.595%0.95335%0.351SS*.THydrogen-bonded Turntrans-61.9-21.8179.6-63.8179.7300113.6G311Q309-G311 VanDerWaalsContact C-N 3.34Å
310K86.2Confident88.5Confident93 Ų9364.2 Ų64.240%0.40433%0.334SS..THydrogen-bonded Turntrans-92.42.4176.6-63-171.8174.5-167.40112.3E267 I270 N274 D308 S312E267-K310 IonicContact OE1-NZ 3.15Å; E267-K310 PolarHBondContact OE1-NZ 3.43Å; E267-K310 IonicContact OE2-NZ 2.77Å; E267-K310 PolarHBondContact OE2-NZ 3.29Å; I270-K310 HydrophobicContact CD1-CD 4.11Å; I270-K310 HydrophobicContact CG2-CD 3.97Å; N274-K310 PolarHBondContact ND2-O 3.03Å; D308-K310 PolarHBondContact O-N 3.34Å; D308-K310 VanDerWaalsContact O-N 3.16Å; D308-K310 VanDerWaalsContact OD1-CA 3.31Å; D308-K310 WeakPolarHBondContact OD1-CA 3.37Å; D308-K310 WeakPolarHBondContact OD1-CB 3.27Å; D308-K310 PolarHBondContact OD1-N 2.8Å; K310-S312 VanDerWaalsContact C-N 3.29Å
311G90.6Very high88.2Confident29 Ų2975.8 Ų75.830%0.29938%0.377SS..SBendtrans73.718.9-176.600000113.6D308 Q309D308-G311 PolarHBondContact O-N 3.1Å; D308-G311 PolarHBondContact OD1-N 3.23Å; Q309-G311 VanDerWaalsContact C-N 3.34Å
312S93.4Very high87.8Confident0 Ų074.1 Ų74.10%037%0.373CS..  trans-82.9138.5174.5-54.90000111N274 L307 D308 K310 R314N274-S312 WeakPolarHBondContact OD1-CA 3.44Å; N274-S312 WeakPolarHBondContact OD1-CB 3.48Å; N274-S312 PolarHBondContact OD1-OG 3.03Å; L307-S312 WeakPolarHBondContact CA-O 3.07Å; D308-S312 PolarHBondContact N-O 2.96Å; D308-S312 WeakPolarHBondContact OD1-CB 3.23Å; D308-S312 PolarHBondContact OD1-N 3.19Å; K310-S312 VanDerWaalsContact C-N 3.29Å; S312-R314 PolarHBondContact O-N 3.29Å
313L94.4Very high87.7Confident0 Ų077.7 Ų77.70%038%0.381CS..EExtended strand (participates in β ladder)trans-78.7118.2177.2-165.768.5000110.3Q277 Y281 L288 I300 P305 L307 I333Q277-L313 HydrophobicContact CG-CB 4.31Å; Q277-L313 PolarHBondContact NE2-O 3.2Å; Y281-L313 HydrophobicContact CD2-CD2 3.89Å; Y281-L313 HydrophobicContact CG-CD2 4.14Å; L288-L313 HydrophobicContact CD1-CD1 3.43Å; L288-L313 VanDerWaalsContact CD1-CD1 3.43Å; I300-L313 HydrophobicContact CD1-CD2 3.66Å; P305-L313 HydrophobicContact CB-CD1 4.11Å; L307-L313 HydrophobicContact CD2-CB 4.31Å; L307-L313 HydrophobicContact CD2-CD1 3.92Å; L313-I333 HydrophobicContact CD2-CB 4.13Å; L313-I333 HydrophobicContact CD2-CG2 4.17Å; L313-I333 HydrophobicContact CG-CB 4.17Å; L313-I333 HydrophobicContact CG-CD1 4.19Å; L313-I333 PolarHBondContact O-N 3.16Å
314R93.9Very high87.3Confident8 Ų877.9 Ų77.93%0.0338%0.381CS..EExtended strand (participates in β ladder)trans-124.1151.5-178.5-67.9-177.8-178.1-89.33.2111.7P305 F306 D308 S312 H330 P331 F332P305-R314 WeakPolarHBondContact CA-O 3.17Å; F306-R314 HydrophobicContact CD1-CB 4.38Å; F306-R314 WeakPolarHBondContact CD1-O 3.17Å; F306-R314 HydrophobicContact CE1-CB 3.82Å; F306-R314 HydrophobicContact CE2-CB 4.37Å; F306-R314 HydrophobicContact CZ-CB 3.83Å; F306-R314 PolarHBondContact N-O 3.33Å; F306-R314 PolarHBondContact O-N 2.51Å; D308-R314 IonicContact OD2-CZ 3.37Å; D308-R314 IonicContact OD2-NE 3.8Å; D308-R314 PolarHBondContact OD2-NE 3.46Å; D308-R314 IonicContact OD2-NH2 3.42Å; D308-R314 PolarHBondContact OD2-NH2 2.89Å; D308-R314 VanDerWaalsContact OD2-NH2 3.15Å; S312-R314 PolarHBondContact O-N 3.29Å; R314-H330 HydrophobicContact CB-CB 4.21Å; R314-H330 VanDerWaalsContact CD-O 3.25Å; R314-H330 WeakPolarHBondContact CD-O 3.41Å; R314-H330 PolarHBondContact NH1-O 3.29Å; R314-P331 CarbonylContact C-O 3.59Å; R314-P331 VanDerWaalsContact CA-O 3.29Å; R314-P331 WeakPolarHBondContact CA-O 3.35Å; R314-F332 HydrophobicContact CG-CD1 4.12Å
315A91.3Very high86.8Confident14 Ų1478.3 Ų78.312%0.11638%0.383CS..EExtended strand (participates in β ladder)trans-87.5137.7173.600000110.1L303 H330 P331 I333L303-A315 HydrophobicContact CB-CB 4.17Å; L303-A315 WeakPolarHBondContact O-CA 3.4Å; A315-H330 WeakPolarHBondContact O-CA 3.44Å; A315-P331 HydrophobicContact CB-CG 4.32Å; A315-P331 PolarHBondContact N-O 2.84Å; A315-I333 HydrophobicContact CB-CD1 4.06Å; A315-I333 HydrophobicContact CB-CG1 3.89Å
316Q86.2Confident86.5Confident78 Ų7882.4 Ų82.436%0.36440%0.397SS..  trans-95.8161.9166.1-165.4167.3-4.100109.7L303 S304 F306 E320L303-Q316 PolarHBondContact O-N 3.49Å; S304-Q316 WeakPolarHBondContact O-CB 3.24Å; S304-Q316 PolarHBondContact O-N 2.84Å; F306-Q316 HydrophobicContact CD1-CB 3.95Å; F306-Q316 HydrophobicContact CE1-CB 4.01Å; Q316-E320 VanDerWaalsContact NE2-CD 3.32Å; Q316-E320 PolarHBondContact NE2-OE1 3.21Å; Q316-E320 PolarHBondContact NE2-OE2 2.92Å
317G79.5Confident85.9Confident40 Ų4085.7 Ų85.741%0.41241%0.413SS..  trans177.6-159.4177.700000114L319 E320G317-L319 PolarHBondContact O-N 3.49Å; G317-L319 VanDerWaalsContact O-N 3.08Å; G317-E320 PolarHBondContact O-N 2.91Å
318R80Confident85.3Confident241 Ų24187 Ų8791%0.90942%0.423SS*.THydrogen-bonded Turntrans-66.6-12.5-170.4-61.9177.4-68.8-179.8-0.2114.6
319L79.8Confident84.9Confident78 Ų7888.3 Ų88.341%0.40843%0.427SS..THydrogen-bonded Turntrans-89.11.3-177.1-61.2-179.4000113.8G317 R321 A322 L324G317-L319 PolarHBondContact O-N 3.49Å; G317-L319 VanDerWaalsContact O-N 3.08Å; L319-R321 PolarHBondContact O-N 3.14Å; L319-A322 HydrophobicContact CB-CB 4.43Å; L319-A322 HydrophobicContact CD2-CB 4.43Å; L319-A322 WeakPolarHBondContact O-CB 3.43Å; L319-A322 PolarHBondContact O-N 3.29Å; L319-L324 HydrophobicContact CD1-CD1 4.38Å; L319-L324 HydrophobicContact CD2-CD1 4.49Å
320E80.8Confident85Confident103 Ų10379.4 Ų79.448%0.48139%0.386SS..THydrogen-bonded Turntrans-53.9-40.6-177-173.1171179.400112.8Q316 G317 K329Q316-E320 VanDerWaalsContact NE2-CD 3.32Å; Q316-E320 PolarHBondContact NE2-OE1 3.21Å; Q316-E320 PolarHBondContact NE2-OE2 2.92Å; G317-E320 PolarHBondContact O-N 2.91Å; E320-K329 PolarHBondContact O-NZ 3.5Å
321R82.6Confident85.2Confident248 Ų24877.5 Ų77.594%0.93638%0.383SS*.THydrogen-bonded Turntrans-87.9-2.2178.5-63-174.3-178.5163.50.5114.9L319L319-R321 PolarHBondContact O-N 3.14Å
322A80.5Confident85.3Confident31 Ų3178.2 Ų78.226%0.25638%0.378SS..SBendtrans-73.5151.1178.600000111L319 L324 K329L319-A322 HydrophobicContact CB-CB 4.43Å; L319-A322 HydrophobicContact CD2-CB 4.43Å; L319-A322 WeakPolarHBondContact O-CB 3.43Å; L319-A322 PolarHBondContact O-N 3.29Å; A322-L324 HydrophobicContact CB-CD1 3.88Å; A322-L324 HydrophobicContact CB-CG 3.99Å; A322-L324 PolarHBondContact O-N 2.92Å; A322-K329 WeakPolarHBondContact O-CE 3.48Å; A322-K329 PolarHBondContact O-NZ 3.37Å
323E84.5Confident85.3Confident202 Ų20278.6 Ų78.694%0.94438%0.38SS*.SBendtrans-84.166.7174.8-163.8173.3-176.500110.4
324L79.7Confident85.1Confident75 Ų7580.6 Ų80.639%0.39339%0.39SS..SBendtrans-123.1157-177.3-66.1174.3000111.3L319 A322 V328 K329L319-L324 HydrophobicContact CD1-CD1 4.38Å; L319-L324 HydrophobicContact CD2-CD1 4.49Å; A322-L324 HydrophobicContact CB-CD1 3.88Å; A322-L324 HydrophobicContact CB-CG 3.99Å; A322-L324 PolarHBondContact O-N 2.92Å; L324-V328 HydrophobicContact CB-CB 4.38Å; L324-V328 HydrophobicContact CB-CG1 4.39Å; L324-V328 HydrophobicContact CD1-CG1 4.03Å; L324-K329 HydrophobicContact CB-CG 4.04Å; L324-K329 WeakPolarHBondContact O-CE 3.39Å
325P78.5Confident85Confident78 Ų7880.6 Ų80.651%0.50639%0.391SS..  trans-56.2147.6172-24.234.3000112.1E327 V328 K329P325-E327 PolarHBondContact O-N 3.04Å; P325-V328 HydrophobicContact CB-CG2 4.23Å; P325-V328 HydrophobicContact CG-CG2 4.34Å; P325-V328 WeakPolarHBondContact O-CB 3.48Å; P325-V328 PolarHBondContact O-N 3.47Å; P325-K329 PolarHBondContact O-N 3.42Å; P325-K329 VanDerWaalsContact O-N 3.08Å
326Y85.9Confident84.7Confident100 Ų10089 Ų8939%0.39242%0.42SS..Hα-helixtrans-54.2-40.4-176.1178.3-95.8000112.3V328 K329 H330Y326-V328 PolarHBondContact O-N 3.09Å; Y326-K329 PolarHBondContact O-N 3.05Å; Y326-H330 AromaticContact CD2-CD2 3.56Å; Y326-H330 AromaticContact CE2-CD2 3.37Å; Y326-H330 WeakPolarHBondContact CE2-CD2 3.34Å; Y326-H330 AromaticContact CZ-CD2 3.92Å; Y326-H330 PolarHBondContact O-N 3.19Å
327E82.3Confident84.6Confident114 Ų11494.7 Ų94.753%0.53344%0.443SS..Hα-helixtrans-64.5-29.2-179.5-59.275.2-164.200112.6P325 H330P325-E327 PolarHBondContact O-N 3.04Å; E327-H330 CarbonylContact O-C 3.51Å
328V81.4Confident85Confident71 Ų7194.7 Ų94.743%0.4343%0.433SS..Hα-helixtrans-82.8-39.6177.9-178.90000110.7L324 P325 Y326 H330L324-V328 HydrophobicContact CB-CB 4.38Å; L324-V328 HydrophobicContact CB-CG1 4.39Å; L324-V328 HydrophobicContact CD1-CG1 4.03Å; P325-V328 HydrophobicContact CB-CG2 4.23Å; P325-V328 HydrophobicContact CG-CG2 4.34Å; P325-V328 WeakPolarHBondContact O-CB 3.48Å; P325-V328 PolarHBondContact O-N 3.47Å; Y326-V328 PolarHBondContact O-N 3.09Å; V328-H330 VanDerWaalsContact C-N 3.28Å; V328-H330 PolarHBondContact O-N 3.18Å
329K83.9Confident85.3Confident47 Ų4787.8 Ų87.820%0.20442%0.417CS..Hα-helixtrans-64.2-37.2175.4-63.1-169.8-169.7-159.80112.1E320 A322 L324 P325 Y326 P331E320-K329 PolarHBondContact O-NZ 3.5Å; A322-K329 WeakPolarHBondContact O-CE 3.48Å; A322-K329 PolarHBondContact O-NZ 3.37Å; L324-K329 HydrophobicContact CB-CG 4.04Å; L324-K329 WeakPolarHBondContact O-CE 3.39Å; P325-K329 PolarHBondContact O-N 3.42Å; P325-K329 VanDerWaalsContact O-N 3.08Å; Y326-K329 PolarHBondContact O-N 3.05Å; K329-P331 WeakPolarHBondContact O-CD 3.44Å
330H90.5Very high85.6Confident18 Ų1885 Ų858%0.08340%0.403CS..SBendtrans-126.574.8-172-56-65.6000110.7F306 R314 A315 Y326 E327 V328F306-H330 HydrophobicContact CE1-CB 4.14Å; F306-H330 AromaticContact CE1-ND1 3.54Å; F306-H330 HydrophobicContact CZ-CB 3.77Å; F306-H330 AromaticContact CZ-CG 3.62Å; F306-H330 AromaticContact CZ-ND1 3.55Å; R314-H330 HydrophobicContact CB-CB 4.21Å; R314-H330 VanDerWaalsContact CD-O 3.25Å; R314-H330 WeakPolarHBondContact CD-O 3.41Å; R314-H330 PolarHBondContact NH1-O 3.29Å; A315-H330 WeakPolarHBondContact O-CA 3.44Å; Y326-H330 AromaticContact CD2-CD2 3.56Å; Y326-H330 AromaticContact CE2-CD2 3.37Å; Y326-H330 WeakPolarHBondContact CE2-CD2 3.34Å; Y326-H330 AromaticContact CZ-CD2 3.92Å; Y326-H330 PolarHBondContact O-N 3.19Å; E327-H330 CarbonylContact O-C 3.51Å; V328-H330 VanDerWaalsContact C-N 3.28Å; V328-H330 PolarHBondContact O-N 3.18Å
331P90.2Very high85.9Confident52 Ų5280.9 Ų80.934%0.33839%0.385SS..  trans-66.8153.1-178.528.2-34.5000111.6R314 A315 K329R314-P331 CarbonylContact C-O 3.59Å; R314-P331 VanDerWaalsContact CA-O 3.29Å; R314-P331 WeakPolarHBondContact CA-O 3.35Å; A315-P331 HydrophobicContact CB-CG 4.32Å; A315-P331 PolarHBondContact N-O 2.84Å; K329-P331 WeakPolarHBondContact O-CD 3.44Å
332F92.6Very high85.8Confident45 Ų4573 Ų7320%0.19736%0.361CS..BIsolated β-bridgetrans-64.2137.4173.9-64.2-66.1000111.3F269 I270 V273 R314 L334F269-F332 HydrophobicContact CD1-CE2 4.49Å; F269-F332 HydrophobicContact CE1-CD2 4.15Å; F269-F332 AromaticContact CE1-CE2 3.9Å; F269-F332 HydrophobicContact CE1-CE2 3.9Å; I270-F332 HydrophobicContact CG1-CZ 3.97Å; V273-F332 HydrophobicContact CG1-CB 4.1Å; V273-F332 HydrophobicContact CG1-CD1 3.72Å; V273-F332 HydrophobicContact CG1-CD2 4.46Å; V273-F332 HydrophobicContact CG1-CE1 4.21Å; V273-F332 HydrophobicContact CG1-CG 3.86Å; V273-F332 HydrophobicContact CG2-CD2 4.49Å; R314-F332 HydrophobicContact CG-CD1 4.12Å; F332-L334 HydrophobicContact CB-CD2 4.26Å; F332-L334 HydrophobicContact CB-CG 4.23Å; F332-L334 PolarHBondContact O-N 3.02Å
333I92.4Very high85.7Confident7 Ų776.3 Ų76.34%0.03637%0.373CS..  trans-83.7111169.7-63.4-179.9000107.6Q277 Y281 I300 L303 P305 L313 A315Q277-I333 WeakPolarHBondContact CG-O 3.3Å; Q277-I333 PolarHBondContact NE2-O 2.82Å; Y281-I333 HydrophobicContact CE2-CG2 4.09Å; I300-I333 HydrophobicContact CB-CG2 4.48Å; I300-I333 HydrophobicContact CG2-CG2 3.94Å; L303-I333 HydrophobicContact CB-CD1 4.08Å; L303-I333 HydrophobicContact CD1-CD1 4.23Å; L303-I333 HydrophobicContact CD1-CG1 4.29Å; L303-I333 HydrophobicContact CD1-CG2 4.21Å; P305-I333 HydrophobicContact CB-CD1 3.55Å; L313-I333 HydrophobicContact CD2-CB 4.13Å; L313-I333 HydrophobicContact CD2-CG2 4.17Å; L313-I333 HydrophobicContact CG-CB 4.17Å; L313-I333 HydrophobicContact CG-CD1 4.19Å; L313-I333 PolarHBondContact O-N 3.16Å; A315-I333 HydrophobicContact CB-CD1 4.06Å; A315-I333 HydrophobicContact CB-CG1 3.89Å
334L91.8Very high85.3Confident43 Ų4367.8 Ų67.823%0.22534%0.335CS..  trans-110.8139.3-178-64.9-179.4000111.7V273 F332 R336 T341V273-L334 HydrophobicContact CB-CD2 4.45Å; V273-L334 HydrophobicContact CG1-CD2 3.83Å; V273-L334 HydrophobicContact CG2-CD2 4.11Å; F332-L334 HydrophobicContact CB-CD2 4.26Å; F332-L334 HydrophobicContact CB-CG 4.23Å; F332-L334 PolarHBondContact O-N 3.02Å; L334-R336 PolarHBondContact O-N 3.38Å; L334-T341 HydrophobicContact CB-CG2 4.02Å; L334-T341 WeakPolarHBondContact CB-OG1 3.48Å
335P90.7Very high84.9Confident8 Ų866.9 Ų66.95%0.05233%0.332CS..  trans-69.8121.6178.420.1-24000112.6S280 Y281 K337 H338 T341S280-P335 VanDerWaalsContact OG-CB 3.26Å; S280-P335 WeakPolarHBondContact OG-CB 3.36Å; S280-P335 VanDerWaalsContact OG-CG 3.3Å; S280-P335 WeakPolarHBondContact OG-CG 3.29Å; Y281-P335 HydrophobicContact CE2-CB 3.99Å; Y281-P335 HydrophobicContact CE2-CG 4.24Å; Y281-P335 WeakPolarHBondContact OH-CA 3.46Å; P335-K337 PolarHBondContact O-N 3.38Å; P335-H338 HydrophobicContact CB-CB 4.07Å; P335-H338 HydrophobicContact CG-CB 3.58Å; P335-H338 WeakPolarHBondContact O-CB 3.32Å; P335-H338 PolarHBondContact O-N 3.41Å; P335-T341 WeakPolarHBondContact O-CB 3.26Å; P335-T341 PolarHBondContact O-OG1 2.93Å
336R85.1Confident84.3Confident190 Ų19068.3 Ų68.372%0.71733%0.332SS*.THydrogen-bonded Turntrans-49.1-35-172.8-178.9175.2177147.60.7115.7L334L334-R336 PolarHBondContact O-N 3.38Å
337K84.4Confident83.1Confident197 Ų19771.2 Ų71.286%0.85734%0.342SS*.THydrogen-bonded Turntrans-99.95.4-174.9-70-172176.2-174.10113.9P335P335-K337 PolarHBondContact O-N 3.38Å
338H86.8Confident82Confident40 Ų4070.8 Ų70.819%0.18535%0.348CS..  trans-85.1142.7-175.4-172.8-84.3000111.5A276 E279 P335 L340 T341 N342A276-H338 WeakPolarHBondContact CB-CE1 3.45Å; E279-H338 IonicContact OE2-CD2 3.72Å; E279-H338 IonicContact OE2-NE2 2.84Å; E279-H338 PolarHBondContact OE2-NE2 3.34Å; P335-H338 HydrophobicContact CB-CB 4.07Å; P335-H338 HydrophobicContact CG-CB 3.58Å; P335-H338 WeakPolarHBondContact O-CB 3.32Å; P335-H338 PolarHBondContact O-N 3.41Å; H338-L340 VanDerWaalsContact C-N 3.28Å; H338-L340 WeakPolarHBondContact ND1-CB 3.35Å; H338-L340 PolarHBondContact ND1-N 2.67Å; H338-L340 PolarHBondContact O-N 3.02Å; H338-T341 WeakPolarHBondContact O-CB 3.32Å; H338-T341 PolarHBondContact O-N 3.49Å; H338-N342 PolarHBondContact O-N 3.06Å
339T87.4Confident80.5Confident96 Ų9668.3 Ų68.359%0.58933%0.332SS*.Hα-helixtrans-55.3-42.1-177.5-50.50000112.1T341 N342 M343T339-T341 VanDerWaalsContact C-N 3.28Å; T339-T341 PolarHBondContact O-N 3.05Å; T339-N342 PolarHBondContact O-N 3.01Å; T339-M343 HydrophobicContact CG2-CE 4.19Å; T339-M343 HydrophobicContact CG2-CG 4.48Å; T339-M343 HydrophobicContact CG2-SD 4.43Å; T339-M343 WeakPolarHBondContact O-CG 3.03Å; T339-M343 PolarHBondContact O-N 3.28Å
340L85.9Confident78.7Confident19 Ų1974.6 Ų74.610%0.09935%0.354CS..Hα-helixtrans-57-39.1174.6-173.966.2000113F269 C272 V273 A276 H338 M343 T344F269-L340 HydrophobicContact CE2-CD1 4.43Å; C272-L340 HydrophobicContact CB-CD1 4.24Å; C272-L340 HydrophobicContact CB-CD2 4.1Å; C272-L340 WeakPolarHBondContact O-CD2 3.41Å; V273-L340 HydrophobicContact CB-CD2 4.43Å; V273-L340 HydrophobicContact CG2-CD2 3.91Å; A276-L340 HydrophobicContact CB-CD2 3.91Å; H338-L340 VanDerWaalsContact C-N 3.28Å; H338-L340 WeakPolarHBondContact ND1-CB 3.35Å; H338-L340 PolarHBondContact ND1-N 2.67Å; H338-L340 PolarHBondContact O-N 3.02Å; L340-M343 HydrophobicContact CB-CE 4.46Å; L340-M343 HydrophobicContact CD1-CE 4.14Å; L340-M343 PolarHBondContact O-N 3.17Å; L340-T344 HydrophobicContact CD1-CG2 4.32Å; L340-T344 HydrophobicContact CG-CG2 4.35Å; L340-T344 WeakPolarHBondContact O-CB 3.45Å; L340-T344 VanDerWaalsContact O-CG2 3.28Å; L340-T344 WeakPolarHBondContact O-CG2 3.16Å; L340-T344 PolarHBondContact O-N 3.18Å; L340-T344 PolarHBondContact O-OG1 3.08Å
341T86.5Confident76.6Confident18 Ų1878.2 Ų78.211%0.1138%0.379CS..Hα-helixtrans-69-39.4-179.8-51.60000110.9L334 P335 H338 T339 T344 T345L334-T341 HydrophobicContact CB-CG2 4.02Å; L334-T341 WeakPolarHBondContact CB-OG1 3.48Å; P335-T341 WeakPolarHBondContact O-CB 3.26Å; P335-T341 PolarHBondContact O-OG1 2.93Å; H338-T341 WeakPolarHBondContact O-CB 3.32Å; H338-T341 PolarHBondContact O-N 3.49Å; T339-T341 VanDerWaalsContact C-N 3.28Å; T339-T341 PolarHBondContact O-N 3.05Å; T341-T344 VanDerWaalsContact CA-OG1 3.3Å; T341-T344 WeakPolarHBondContact CA-OG1 3.47Å; T341-T344 PolarHBondContact O-OG1 2.86Å; T341-T345 VanDerWaalsContact O-CB 3.27Å; T341-T345 WeakPolarHBondContact O-CB 3.31Å; T341-T345 PolarHBondContact O-N 3.41Å; T341-T345 PolarHBondContact O-OG1 2.8Å
342N81.5Confident74.3Confident82 Ų8280.5 Ų80.544%0.43939%0.389SS..Hα-helixtrans-63.9-49.2173.4-65.2-17.8000110.6H338 T339 T344 T345 E346H338-N342 PolarHBondContact O-N 3.06Å; T339-N342 PolarHBondContact O-N 3.01Å; N342-T344 PolarHBondContact O-N 3.4Å; N342-T345 PolarHBondContact O-N 2.73Å; N342-E346 WeakPolarHBondContact O-CB 3.29Å; N342-E346 VanDerWaalsContact O-CG 3.27Å; N342-E346 WeakPolarHBondContact O-CG 3Å; N342-E346 PolarHBondContact O-N 2.95Å
343M78Confident71.9Confident100 Ų10080.6 Ų80.649%0.49339%0.389SS..Hα-helixtrans-60.9-42.5178.6-69.7-172.2-63.600113T339 L340 E346 R347T339-M343 HydrophobicContact CG2-CE 4.19Å; T339-M343 HydrophobicContact CG2-CG 4.48Å; T339-M343 HydrophobicContact CG2-SD 4.43Å; T339-M343 WeakPolarHBondContact O-CG 3.03Å; T339-M343 PolarHBondContact O-N 3.28Å; L340-M343 HydrophobicContact CB-CE 4.46Å; L340-M343 HydrophobicContact CD1-CE 4.14Å; L340-M343 PolarHBondContact O-N 3.17Å; M343-E346 PolarHBondContact O-N 2.92Å; M343-R347 VanDerWaalsContact O-CB 3.32Å; M343-R347 WeakPolarHBondContact O-CB 3.21Å; M343-R347 PolarHBondContact O-N 2.98Å
344T75.8Confident69.5Low24 Ų2482.8 Ų82.815%0.14741%0.413CS..Hα-helixtrans-67.5-41.7178.644.30000112.1F269 L340 T341 N342 E346 R347 T348F269-T344 HydrophobicContact CE2-CG2 3.39Å; F269-T344 HydrophobicContact CZ-CG2 3.79Å; L340-T344 HydrophobicContact CD1-CG2 4.32Å; L340-T344 HydrophobicContact CG-CG2 4.35Å; L340-T344 WeakPolarHBondContact O-CB 3.45Å; L340-T344 VanDerWaalsContact O-CG2 3.28Å; L340-T344 WeakPolarHBondContact O-CG2 3.16Å; L340-T344 PolarHBondContact O-N 3.18Å; L340-T344 PolarHBondContact O-OG1 3.08Å; T341-T344 VanDerWaalsContact CA-OG1 3.3Å; T341-T344 WeakPolarHBondContact CA-OG1 3.47Å; T341-T344 PolarHBondContact O-OG1 2.86Å; N342-T344 PolarHBondContact O-N 3.4Å; T344-E346 VanDerWaalsContact C-N 3.34Å; T344-R347 PolarHBondContact O-N 3.46Å; T344-T348 PolarHBondContact O-N 3.38Å; T344-T348 PolarHBondContact O-OG1 3.12Å
345T71.2Confident67.4Low56 Ų5688.2 Ų88.234%0.34444%0.442SS..Hα-helixtrans-61.2-45.8173.7-56.20000109.9T341 N342 R347 T348 L349T341-T345 VanDerWaalsContact O-CB 3.27Å; T341-T345 WeakPolarHBondContact O-CB 3.31Å; T341-T345 PolarHBondContact O-N 3.41Å; T341-T345 PolarHBondContact O-OG1 2.8Å; N342-T345 PolarHBondContact O-N 2.73Å; T345-R347 VanDerWaalsContact C-N 3.34Å; T345-R347 PolarHBondContact O-N 2.89Å; T345-T348 PolarHBondContact O-OG1 3.27Å; T345-L349 HydrophobicContact CG2-CD1 3.6Å; T345-L349 HydrophobicContact CG2-CG 4.5Å; T345-L349 VanDerWaalsContact O-CB 3.25Å; T345-L349 WeakPolarHBondContact O-CB 3.34Å; T345-L349 VanDerWaalsContact O-CD1 3.26Å; T345-L349 WeakPolarHBondContact O-CD1 3.48Å; T345-L349 WeakPolarHBondContact O-CG 3.48Å; T345-L349 PolarHBondContact O-N 2.96Å; T345-L349 VanDerWaalsContact O-N 3.11Å
346E66.2Low65.1Low108 Ų10889 Ų8951%0.50545%0.448SS..Hα-helixtrans-61.1-40.7176-74.5170.4-172.100113N342 M343 T344 W350N342-E346 WeakPolarHBondContact O-CB 3.29Å; N342-E346 VanDerWaalsContact O-CG 3.27Å; N342-E346 WeakPolarHBondContact O-CG 3Å; N342-E346 PolarHBondContact O-N 2.95Å; M343-E346 PolarHBondContact O-N 2.92Å; T344-E346 VanDerWaalsContact C-N 3.34Å; E346-W350 PolarHBondContact O-N 3.49Å
347R61.5Low63.1Low160 Ų16082 Ų8260%0.60443%0.434SS*.Hα-helixtrans-72.4-45.4-179.4-174176.7-179.9175.50.4113.1M343 T344 T345 L349 W350M343-R347 VanDerWaalsContact O-CB 3.32Å; M343-R347 WeakPolarHBondContact O-CB 3.21Å; M343-R347 PolarHBondContact O-N 2.98Å; T344-R347 PolarHBondContact O-N 3.46Å; T345-R347 VanDerWaalsContact C-N 3.34Å; T345-R347 PolarHBondContact O-N 2.89Å; R347-L349 PolarHBondContact O-N 3.42Å; R347-W350 WeakPolarHBondContact O-CB 3.32Å; R347-W350 PolarHBondContact O-N 3.18Å
348T59.2Low61.3Low106 Ų10676.5 Ų76.565%0.6542%0.421SS*.Hα-helixtrans-65.2-29176.635.40000112T344 T345T344-T348 PolarHBondContact O-N 3.38Å; T344-T348 PolarHBondContact O-OG1 3.12Å; T345-T348 PolarHBondContact O-OG1 3.27Å
349L50.3Low59.5Low18 Ų1875.6 Ų75.69%0.09442%0.42CS..THydrogen-bonded Turntrans-89.2-9.2176.8-61.2170.7000113.4T345 R347 L352 K353 F368T345-L349 HydrophobicContact CG2-CD1 3.6Å; T345-L349 HydrophobicContact CG2-CG 4.5Å; T345-L349 VanDerWaalsContact O-CB 3.25Å; T345-L349 WeakPolarHBondContact O-CB 3.34Å; T345-L349 VanDerWaalsContact O-CD1 3.26Å; T345-L349 WeakPolarHBondContact O-CD1 3.48Å; T345-L349 WeakPolarHBondContact O-CG 3.48Å; T345-L349 PolarHBondContact O-N 2.96Å; T345-L349 VanDerWaalsContact O-N 3.11Å; R347-L349 PolarHBondContact O-N 3.42Å; L349-L352 HydrophobicContact CD2-CD1 4.02Å; L349-L352 CarbonylContact O-C 3.12Å; L349-L352 WeakPolarHBondContact O-CA 3.22Å; L349-L352 WeakPolarHBondContact O-CB 3.28Å; L349-L352 PolarHBondContact O-N 2.63Å; L349-K353 WeakPolarHBondContact O-CG 3.47Å; L349-K353 PolarHBondContact O-N 2.92Å; L349-F368 HydrophobicContact CD1-CB 3.5Å; L349-F368 VanDerWaalsContact CD1-CB 3.5Å; L349-F368 HydrophobicContact CD1-CD2 3.86Å; L349-F368 HydrophobicContact CD1-CG 3.89Å; L349-F368 HydrophobicContact CD2-CB 3.6Å; L349-F368 HydrophobicContact CD2-CD1 4.17Å; L349-F368 HydrophobicContact CD2-CD2 4.44Å; L349-F368 HydrophobicContact CD2-CG 3.84Å; L349-F368 HydrophobicContact CG-CB 4.17Å; L349-F368 HydrophobicContact CG-CG 4.36Å
350W44.5Very low57.2Low179 Ų17977 Ų7768%0.67842%0.415SS*.Hα-helixtrans-56.6-44.8-179.4175.3-92.5000113.6E346 R347 L352 K353 G354E346-W350 PolarHBondContact O-N 3.49Å; R347-W350 WeakPolarHBondContact O-CB 3.32Å; R347-W350 PolarHBondContact O-N 3.18Å; W350-L352 PolarHBondContact O-N 3.45Å; W350-K353 WeakPolarHBondContact O-CA 3.5Å; W350-K353 WeakPolarHBondContact O-CB 3.32Å; W350-K353 PolarHBondContact O-N 3.43Å; W350-G354 PolarHBondContact O-N 3.42Å
351P46.1Very low55.4Low94 Ų9486.6 Ų86.661%0.6145%0.45SS*.Hα-helixtrans-60-33.9175.4-2334.2000112.7
352L43.7Very low54.1Low101 Ų10193 Ų9353%0.52948%0.478SS..Hα-helixtrans-73.4-30.9174-62.4173.1000112L349 W350 C356 F368L349-L352 HydrophobicContact CD2-CD1 4.02Å; L349-L352 CarbonylContact O-C 3.12Å; L349-L352 WeakPolarHBondContact O-CA 3.22Å; L349-L352 WeakPolarHBondContact O-CB 3.28Å; L349-L352 PolarHBondContact O-N 2.63Å; W350-L352 PolarHBondContact O-N 3.45Å; L352-C356 PolarHBondContact O-SG 3.02Å; L352-F368 HydrophobicContact CB-CE1 4.34Å
353K42.1Very low52.9Low47 Ų4792.2 Ų92.220%0.20449%0.489CS..Hα-helixtrans-70-31.5174.5-70.8177.6179.1-179.50112.9L349 W350 N355 C356 G357 F368L349-K353 WeakPolarHBondContact O-CG 3.47Å; L349-K353 PolarHBondContact O-N 2.92Å; W350-K353 WeakPolarHBondContact O-CA 3.5Å; W350-K353 WeakPolarHBondContact O-CB 3.32Å; W350-K353 PolarHBondContact O-N 3.43Å; K353-N355 VanDerWaalsContact C-N 3.32Å; K353-N355 PolarHBondContact O-N 3.42Å; K353-C356 CarbonylContact O-C 3.5Å; K353-C356 PolarHBondContact O-N 2.98Å; K353-G357 PolarHBondContact O-N 3.36Å; K353-F368 HydrophobicContact CG-CE2 4.39Å
354G42Very low52.2Low52 Ų5290.5 Ų90.554%0.53648%0.484SS..Hα-helixtrans-58.8-39.1-179.700000113.4W350 C356W350-G354 PolarHBondContact O-N 3.42Å; G354-C356 PolarHBondContact O-N 3.2Å
355N46.7Very low51.3Low157 Ų15796.7 Ų96.784%0.8451%0.512SS*.THydrogen-bonded Turntrans-74.3-10.1175-77.3-5.9000113.8K353K353-N355 VanDerWaalsContact C-N 3.32Å; K353-N355 PolarHBondContact O-N 3.42Å
356C43.4Very low51Low25 Ų2598.2 Ų98.217%0.16951%0.511CS..THydrogen-bonded Turntrans-109.610.8-178.5-54.80000113.4L352 K353 G354 S358 A359 W366L352-C356 PolarHBondContact O-SG 3.02Å; K353-C356 CarbonylContact O-C 3.5Å; K353-C356 PolarHBondContact O-N 2.98Å; G354-C356 PolarHBondContact O-N 3.2Å; C356-S358 PolarHBondContact O-N 2.76Å; C356-A359 WeakPolarHBondContact O-CB 3.37Å; C356-A359 PolarHBondContact O-N 3.32Å; C356-W366 HydrophobicContact CB-CZ2 4.28Å
357G42.4Very low50.8Low42 Ų42100.4 Ų100.443%0.43352%0.521SS..THydrogen-bonded Turntrans-57.6-22.6-171.200000115.9K353K353-G357 PolarHBondContact O-N 3.36Å
358S47Very low50.8Low82 Ų8295.9 Ų95.957%0.57351%0.506SS*.THydrogen-bonded Turntrans-78.2-29.7173.549.10000113.5C356 R361 H362C356-S358 PolarHBondContact O-N 2.76Å; S358-R361 PolarHBondContact O-N 3.32Å; S358-H362 PolarHBondContact O-ND1 3.12Å; S358-H362 VanDerWaalsContact O-ND1 3.09Å
359A47.3Very low50.9Low22 Ų2292.8 Ų92.818%0.18249%0.488CS..THydrogen-bonded Turntrans-73-29.7-177.400000113C356 R361 H362 V364 W366C356-A359 WeakPolarHBondContact O-CB 3.37Å; C356-A359 PolarHBondContact O-N 3.32Å; A359-R361 VanDerWaalsContact C-N 3.26Å; A359-R361 PolarHBondContact O-N 3.41Å; A359-H362 PolarHBondContact O-N 3.18Å; A359-V364 HydrophobicContact CB-CB 4.46Å; A359-V364 HydrophobicContact CB-CG2 4.48Å; A359-W366 HydrophobicContact CB-CZ2 4.22Å
360W41Very low51.3Low126 Ų12694.5 Ų94.548%0.47750%0.501SS..G310 helixtrans-63.2-30.9177-76.890.7000113.1H362 G363 W366W360-H362 PolarHBondContact O-N 2.93Å; W360-H362 VanDerWaalsContact O-N 3.12Å; W360-G363 PolarHBondContact O-N 3.3Å; W360-W366 AromaticContact NE1-CD1 3.92Å
361R46.2Very low51.9Low219 Ų21992.3 Ų92.383%0.82651%0.509SS*.G310 helixtrans-63.6-17.2175.4-58.8-171.5-150-159.96.3112.9S358 A359S358-R361 PolarHBondContact O-N 3.32Å; A359-R361 VanDerWaalsContact C-N 3.26Å; A359-R361 PolarHBondContact O-N 3.41Å
362H59.4Low52.4Low154 Ų15492.3 Ų92.371%0.71351%0.512SS*.G310 helixtrans-103.814.2-178.7-6089000112.9S358 A359 W360 V364S358-H362 PolarHBondContact O-ND1 3.12Å; S358-H362 VanDerWaalsContact O-ND1 3.09Å; A359-H362 PolarHBondContact O-N 3.18Å; W360-H362 PolarHBondContact O-N 2.93Å; W360-H362 VanDerWaalsContact O-N 3.12Å; H362-V364 VanDerWaalsContact C-N 3.3Å; H362-V364 HydrophobicContact CB-CG2 4.38Å; H362-V364 PolarHBondContact O-N 3.38Å
363G57.4Low53.3Low65 Ų6588 Ų8867%0.6749%0.491SS*.THydrogen-bonded Turntrans72.717.4175.800000115W360 Q365W360-G363 PolarHBondContact O-N 3.3Å; G363-Q365 PolarHBondContact O-N 3.49Å
364V63.6Low54.2Low63 Ų6389.2 Ų89.238%0.38250%0.504SS..  trans-73.6117.8-179.6-178.20000110.6A359 H362 W366A359-V364 HydrophobicContact CB-CB 4.46Å; A359-V364 HydrophobicContact CB-CG2 4.48Å; H362-V364 VanDerWaalsContact C-N 3.3Å; H362-V364 HydrophobicContact CB-CG2 4.38Å; H362-V364 PolarHBondContact O-N 3.38Å; V364-W366 HydrophobicContact CG1-CZ2 4.42Å
365Q56.4Low55.1Low155 Ų15592.6 Ų92.672%0.72451%0.505SS*.  trans-88.1106.2175.9-69.3-172.9-8.500111.7G363 H367G363-Q365 PolarHBondContact O-N 3.49Å; Q365-H367 PolarHBondContact O-ND1 3.4Å
366W63.9Low55.8Low87 Ų8790 Ų9033%0.3349%0.486SS..  trans-83124.8177.5-67.588.2000112.1C356 A359 W360 V364 F368C356-W366 HydrophobicContact CB-CZ2 4.28Å; A359-W366 HydrophobicContact CB-CZ2 4.22Å; W360-W366 AromaticContact NE1-CD1 3.92Å; V364-W366 HydrophobicContact CG1-CZ2 4.42Å; W366-F368 HydrophobicContact CB-CD2 4.11Å; W366-F368 HydrophobicContact CB-CE2 3.4Å; W366-F368 VanDerWaalsContact CB-CE2 3.4Å; W366-F368 HydrophobicContact CB-CZ 3.86Å; W366-F368 HydrophobicContact CD2-CZ 4.28Å; W366-F368 HydrophobicContact CE3-CE1 4.44Å; W366-F368 HydrophobicContact CE3-CZ 4.11Å; W366-F368 HydrophobicContact CG-CE2 4.19Å; W366-F368 HydrophobicContact CG-CZ 4.21Å
367H61.9Low56.8Low155 Ų15589.1 Ų89.172%0.71848%0.482SS*.  trans-111.3106.2174.2-66.379.5000109Q365Q365-H367 PolarHBondContact O-ND1 3.4Å
368F62.6Low58.2Low65 Ų6589.5 Ų89.529%0.28549%0.486SS..PPolyproline II helixtrans-97.3139.2179.6-62.9-86.6000110.7L349 L352 K353 W366L349-F368 HydrophobicContact CD1-CB 3.5Å; L349-F368 VanDerWaalsContact CD1-CB 3.5Å; L349-F368 HydrophobicContact CD1-CD2 3.86Å; L349-F368 HydrophobicContact CD1-CG 3.89Å; L349-F368 HydrophobicContact CD2-CB 3.6Å; L349-F368 HydrophobicContact CD2-CD1 4.17Å; L349-F368 HydrophobicContact CD2-CD2 4.44Å; L349-F368 HydrophobicContact CD2-CG 3.84Å; L349-F368 HydrophobicContact CG-CB 4.17Å; L349-F368 HydrophobicContact CG-CG 4.36Å; L352-F368 HydrophobicContact CB-CE1 4.34Å; K353-F368 HydrophobicContact CG-CE2 4.39Å; W366-F368 HydrophobicContact CB-CD2 4.11Å; W366-F368 HydrophobicContact CB-CE2 3.4Å; W366-F368 VanDerWaalsContact CB-CE2 3.4Å; W366-F368 HydrophobicContact CB-CZ 3.86Å; W366-F368 HydrophobicContact CD2-CZ 4.28Å; W366-F368 HydrophobicContact CE3-CE1 4.44Å; W366-F368 HydrophobicContact CE3-CZ 4.11Å; W366-F368 HydrophobicContact CG-CE2 4.19Å; W366-F368 HydrophobicContact CG-CZ 4.21Å
369S60.6Low59.5Low40 Ų4091.1 Ų91.128%0.2849%0.492SS..PPolyproline II helixtrans-88.4139.4166.3-63.10000109.5W380S369-W380 VanDerWaalsContact OG-CZ2 3.3Å; S369-W380 WeakPolarHBondContact OG-CZ2 3.19Å
370P59.8Low60.7Low55 Ų5595.5 Ų95.536%0.35750%0.504SS..PPolyproline II helixtrans-56.2140.7170.5-1928000110.2S372 A373P370-S372 PolarHBondContact O-N 3.07Å; P370-A373 HydrophobicContact CB-CB 3.84Å; P370-A373 HydrophobicContact CG-CB 3.88Å; P370-A373 PolarHBondContact O-N 3.15Å
371P56.6Low62.6Low132 Ų13293.2 Ų93.286%0.85750%0.498SS*.THydrogen-bonded Turntrans-51.9-33.6-179.9-26.632.8000113.3
372S56.1Low64.2Low95 Ų9592 Ų9266%0.66449%0.494SS*.THydrogen-bonded Turntrans-92.44.7-177.4-48.50000114.6P370 P374P370-S372 PolarHBondContact O-N 3.07Å; S372-P374 VanDerWaalsContact C-CD 3.47Å; S372-P374 WeakPolarHBondContact O-CD 3.48Å
373A63.4Low65.3Low11 Ų1186.8 Ų86.89%0.09147%0.47CS..  trans-126.964.8-172.800000112.9P370 H375 F376P370-A373 HydrophobicContact CB-CB 3.84Å; P370-A373 HydrophobicContact CG-CB 3.88Å; P370-A373 PolarHBondContact O-N 3.15Å; A373-H375 PolarHBondContact O-N 3.04Å; A373-H375 VanDerWaalsContact O-N 3.14Å; A373-F376 HydrophobicContact CB-CD2 3.66Å; A373-F376 HydrophobicContact CB-CE2 4.05Å; A373-F376 PolarHBondContact O-N 3.25Å; A373-F376 VanDerWaalsContact O-N 3.14Å
374P59.7Low66.6Low72 Ų7287.6 Ų87.647%0.46846%0.459SS..G310 helixtrans-60.9-26.9-17723.7-33.6000113.7S372 F376 G377 W380S372-P374 VanDerWaalsContact C-CD 3.47Å; S372-P374 WeakPolarHBondContact O-CD 3.48Å; P374-F376 PolarHBondContact O-N 3.18Å; P374-G377 PolarHBondContact O-N 2.82Å; P374-W380 PolarHBondContact O-NE1 2.92Å
375H62Low67.6Low123 Ų12393.1 Ų93.157%0.56947%0.472SS*.G310 helixtrans-62.2-12178.166.7-86.4000114.1A373 G377A373-H375 PolarHBondContact O-N 3.04Å; A373-H375 VanDerWaalsContact O-N 3.14Å; H375-G377 PolarHBondContact O-N 3.46Å
376F60.7Low69Low101 Ų10187.2 Ų87.244%0.44345%0.448SS..G310 helixtrans-73.3-5.9175.8-88-101000114.5A373 P374A373-F376 HydrophobicContact CB-CD2 3.66Å; A373-F376 HydrophobicContact CB-CE2 4.05Å; A373-F376 PolarHBondContact O-N 3.25Å; A373-F376 VanDerWaalsContact O-N 3.14Å; P374-F376 PolarHBondContact O-N 3.18Å
377G65.6Low70.1Confident8 Ų883.5 Ų83.58%0.08244%0.436CS..  trans-142105165.400000116P374 H375 V379 W380 E381P374-G377 PolarHBondContact O-N 2.82Å; H375-G377 PolarHBondContact O-N 3.46Å; G377-V379 PolarHBondContact O-N 3.46Å; G377-W380 PolarHBondContact O-N 2.88Å; G377-W380 PolarHBondContact O-NE1 2.83Å; G377-E381 PolarHBondContact O-N 3.44Å
378G71.9Confident71.4Confident49 Ų4982.8 Ų82.851%0.50543%0.431SS..Hα-helixtrans-57.6-22.7173.400000114R382G378-R382 VanDerWaalsContact O-CB 3.25Å; G378-R382 WeakPolarHBondContact O-CB 3.4Å; G378-R382 PolarHBondContact O-N 2.83Å
379V72.8Confident72.6Confident116 Ų11682.6 Ų82.670%0.70344%0.441SS*.Hα-helixtrans-65.5-51.8179.4-177.80000111.1G377 R382 M383G377-V379 PolarHBondContact O-N 3.46Å; V379-R382 PolarHBondContact O-N 2.95Å; V379-M383 PolarHBondContact O-N 2.89Å
380W73.6Confident74Confident114 Ų11481.3 Ų81.343%0.43243%0.433SS..Hα-helixtrans-69.1-35.2176.531.591.1000112.1S369 P374 G377 R382 M383 I384S369-W380 VanDerWaalsContact OG-CZ2 3.3Å; S369-W380 WeakPolarHBondContact OG-CZ2 3.19Å; P374-W380 PolarHBondContact O-NE1 2.92Å; G377-W380 PolarHBondContact O-N 2.88Å; G377-W380 PolarHBondContact O-NE1 2.83Å; W380-R382 VanDerWaalsContact C-N 3.31Å; W380-R382 PolarHBondContact O-N 2.85Å; W380-M383 WeakPolarHBondContact O-CB 3.4Å; W380-M383 PolarHBondContact O-N 3.13Å; W380-I384 WeakPolarHBondContact O-CB 3.04Å; W380-I384 VanDerWaalsContact O-CG1 3.28Å; W380-I384 WeakPolarHBondContact O-CG1 3.49Å; W380-I384 PolarHBondContact O-N 3.41Å
381E80.4Confident75.4Confident78 Ų7879.3 Ų79.336%0.36442%0.419SS..Hα-helixtrans-61.7-39.4173.2-72.6-165160.300112.5G377 M383 R385G377-E381 PolarHBondContact O-N 3.44Å; E381-M383 VanDerWaalsContact C-N 3.33Å; E381-R385 VanDerWaalsContact O-CB 3.26Å; E381-R385 WeakPolarHBondContact O-CB 3.38Å; E381-R385 PolarHBondContact O-N 2.55Å
382R80.4Confident76.9Confident193 Ų19380.1 Ų80.173%0.72841%0.411SS*.Hα-helixtrans-67.5-35.9175.9-166.4167.7-167.4155.71.8111.7G378 V379 W380 S386G378-R382 VanDerWaalsContact O-CB 3.25Å; G378-R382 WeakPolarHBondContact O-CB 3.4Å; G378-R382 PolarHBondContact O-N 2.83Å; V379-R382 PolarHBondContact O-N 2.95Å; W380-R382 VanDerWaalsContact C-N 3.31Å; W380-R382 PolarHBondContact O-N 2.85Å; R382-S386 WeakPolarHBondContact O-CB 3.34Å; R382-S386 PolarHBondContact O-N 2.68Å; R382-S386 PolarHBondContact O-OG 3.46Å
383M82Confident78.4Confident46 Ų4682.7 Ų82.723%0.22741%0.411CS..Hα-helixtrans-65.9-50.1174-170.8173.271.900111.5V379 W380 E381 R385 S386 A387 L416 R419V379-M383 PolarHBondContact O-N 2.89Å; W380-M383 WeakPolarHBondContact O-CB 3.4Å; W380-M383 PolarHBondContact O-N 3.13Å; E381-M383 VanDerWaalsContact C-N 3.33Å; M383-R385 VanDerWaalsContact C-N 3.3Å; M383-R385 PolarHBondContact O-N 3.29Å; M383-S386 WeakPolarHBondContact O-CB 3.33Å; M383-S386 PolarHBondContact O-N 3.24Å; M383-S386 VanDerWaalsContact O-N 3.1Å; M383-A387 PolarHBondContact O-N 3.29Å; M383-L416 HydrophobicContact CE-CB 4.41Å; M383-L416 HydrophobicContact CE-CD1 4.49Å; M383-L416 HydrophobicContact CG-CD1 4.26Å; M383-L416 HydrophobicContact CG-CD2 3.92Å; M383-L416 HydrophobicContact SD-CB 4.28Å; M383-L416 HydrophobicContact SD-CD2 4.18Å; M383-R419 PolarHBondContact SD-NH1 3.31Å
384I85Confident79.6Confident82 Ų8282.4 Ų82.442%0.42141%0.408SS..Hα-helixtrans-59.4-41.9176.1-68165.7000110.6W380 S386 A387 K388W380-I384 WeakPolarHBondContact O-CB 3.04Å; W380-I384 VanDerWaalsContact O-CG1 3.28Å; W380-I384 WeakPolarHBondContact O-CG1 3.49Å; W380-I384 PolarHBondContact O-N 3.41Å; I384-S386 VanDerWaalsContact C-N 3.32Å; I384-S386 PolarHBondContact O-N 3.33Å; I384-A387 PolarHBondContact O-N 3.23Å; I384-K388 HydrophobicContact CG2-CD 4Å; I384-K388 HydrophobicContact CG2-CG 4.37Å; I384-K388 WeakPolarHBondContact O-CB 3.45Å; I384-K388 VanDerWaalsContact O-CG 3.32Å; I384-K388 WeakPolarHBondContact O-CG 3.1Å; I384-K388 PolarHBondContact O-N 3.21Å
385R84.1Confident80.8Confident178 Ų17880.6 Ų80.667%0.67239%0.394SS*.Hα-helixtrans-60.3-42.9175.7-172.8-175-57.8-147.71.3111.7E381 M383 K388 A389E381-R385 VanDerWaalsContact O-CB 3.26Å; E381-R385 WeakPolarHBondContact O-CB 3.38Å; E381-R385 PolarHBondContact O-N 2.55Å; M383-R385 VanDerWaalsContact C-N 3.3Å; M383-R385 PolarHBondContact O-N 3.29Å; R385-K388 PolarHBondContact O-N 3.09Å; R385-A389 WeakPolarHBondContact O-CB 3.4Å; R385-A389 PolarHBondContact O-N 3.15Å
386S85.1Confident81.8Confident31 Ų3180.8 Ų80.822%0.21740%0.399CS..Hα-helixtrans-65.6-43.1178.2-58.70000111.4R382 M383 I384 A389 A390R382-S386 WeakPolarHBondContact O-CB 3.34Å; R382-S386 PolarHBondContact O-N 2.68Å; R382-S386 PolarHBondContact O-OG 3.46Å; M383-S386 WeakPolarHBondContact O-CB 3.33Å; M383-S386 PolarHBondContact O-N 3.24Å; M383-S386 VanDerWaalsContact O-N 3.1Å; I384-S386 VanDerWaalsContact C-N 3.32Å; I384-S386 PolarHBondContact O-N 3.33Å; S386-A389 PolarHBondContact O-N 2.88Å; S386-A390 WeakPolarHBondContact O-CB 3.37Å; S386-A390 PolarHBondContact O-N 3.47Å
387A88.3Confident82.7Confident9 Ų979.9 Ų79.97%0.07442%0.418CS..Hα-helixtrans-62.1-46.2176.200000111.8M383 I384 A389 A390 L391 V412 L416 F474M383-A387 PolarHBondContact O-N 3.29Å; I384-A387 PolarHBondContact O-N 3.23Å; A387-A389 PolarHBondContact O-N 3.08Å; A387-A390 PolarHBondContact O-N 3.38Å; A387-L391 WeakPolarHBondContact O-CB 3.38Å; A387-L391 WeakPolarHBondContact O-CG 3.34Å; A387-L391 PolarHBondContact O-N 3.26Å; A387-V412 HydrophobicContact CB-CG1 4.38Å; A387-L416 HydrophobicContact CB-CD1 4.04Å; A387-F474 HydrophobicContact CB-CE2 4.08Å; A387-F474 HydrophobicContact CB-CZ 3.99Å
388K89.2Confident83.4Confident141 Ų14185.9 Ų85.961%0.61344%0.438SS*.Hα-helixtrans-58.8-44.5175.1-75.9177177.6-178.10112.3I384 R385 L391 H392I384-K388 HydrophobicContact CG2-CD 4Å; I384-K388 HydrophobicContact CG2-CG 4.37Å; I384-K388 WeakPolarHBondContact O-CB 3.45Å; I384-K388 VanDerWaalsContact O-CG 3.32Å; I384-K388 WeakPolarHBondContact O-CG 3.1Å; I384-K388 PolarHBondContact O-N 3.21Å; R385-K388 PolarHBondContact O-N 3.09Å; K388-L391 PolarHBondContact O-N 3.05Å; K388-H392 VanDerWaalsContact O-CB 3.29Å; K388-H392 WeakPolarHBondContact O-CB 3.44Å; K388-H392 PolarHBondContact O-N 3.3Å
389A88.1Confident83.6Confident60 Ų6088.7 Ų88.750%0.49646%0.457SS..Hα-helixtrans-64.9-40.8178.900000112.2R385 S386 A387 K393R385-A389 WeakPolarHBondContact O-CB 3.4Å; R385-A389 PolarHBondContact O-N 3.15Å; S386-A389 PolarHBondContact O-N 2.88Å; A387-A389 PolarHBondContact O-N 3.08Å; A389-K393 PolarHBondContact O-N 2.83Å; A389-K393 VanDerWaalsContact O-N 3.17Å
390A88.8Confident84.1Confident14 Ų1485.3 Ų85.312%0.11644%0.436CS..Hα-helixtrans-64.1-49.6175.800000111.3S386 A387 H392 K393 I394 F474 M478S386-A390 WeakPolarHBondContact O-CB 3.37Å; S386-A390 PolarHBondContact O-N 3.47Å; A387-A390 PolarHBondContact O-N 3.38Å; A390-H392 PolarHBondContact O-N 2.93Å; A390-K393 PolarHBondContact O-N 3.48Å; A390-K393 VanDerWaalsContact O-N 3.14Å; A390-I394 WeakPolarHBondContact O-CD1 3.37Å; A390-I394 VanDerWaalsContact O-CG1 3.26Å; A390-I394 WeakPolarHBondContact O-CG1 3.21Å; A390-I394 PolarHBondContact O-N 3.17Å; A390-F474 HydrophobicContact CB-CD2 3.87Å; A390-F474 HydrophobicContact CB-CE2 3.78Å; A390-M478 HydrophobicContact CB-CG 4.37Å; A390-M478 HydrophobicContact CB-SD 4.38Å
391L90.2Very high84.7Confident12 Ų1281.9 Ų81.96%0.06343%0.43CS..Hα-helixtrans-60.7-43.2177.8-74.6173.4000112.1A387 K388 K393 I394 L395 V408 F409 V412 I470 F474A387-L391 WeakPolarHBondContact O-CB 3.38Å; A387-L391 WeakPolarHBondContact O-CG 3.34Å; A387-L391 PolarHBondContact O-N 3.26Å; K388-L391 PolarHBondContact O-N 3.05Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.38Å; L391-I394 PolarHBondContact O-N 2.78Å; L391-I394 VanDerWaalsContact O-N 3.13Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 WeakPolarHBondContact O-CG 3.47Å; L391-L395 PolarHBondContact O-N 2.97Å; L391-V408 HydrophobicContact CD2-CG1 3.77Å; L391-F409 HydrophobicContact CD1-CD1 3.99Å; L391-F409 HydrophobicContact CD1-CE1 3.72Å; L391-V412 HydrophobicContact CD2-CG2 4.27Å; L391-I470 HydrophobicContact CD2-CG2 4.1Å; L391-F474 HydrophobicContact CD2-CD2 3.98Å; L391-F474 HydrophobicContact CG-CD2 3.98Å; L391-F474 HydrophobicContact CG-CE2 4.14Å
392H88.6Confident85Confident149 Ų14984.5 Ų84.569%0.6945%0.446SS*.Hα-helixtrans-58.5-39.4176.1-170.3-75.1000111.9K388 A390 N396K388-H392 VanDerWaalsContact O-CB 3.29Å; K388-H392 WeakPolarHBondContact O-CB 3.44Å; K388-H392 PolarHBondContact O-N 3.3Å; A390-H392 PolarHBondContact O-N 2.93Å; H392-N396 PolarHBondContact O-N 3.38Å
393K87.4Confident85.4Confident149 Ų14980.3 Ų80.365%0.64844%0.435SS*.Hα-helixtrans-73.8-30.2176.9-171.1175.9-179.2-178.20113.2A389 A390 L391A389-K393 PolarHBondContact O-N 2.83Å; A389-K393 VanDerWaalsContact O-N 3.17Å; A390-K393 PolarHBondContact O-N 3.48Å; A390-K393 VanDerWaalsContact O-N 3.14Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.38Å
394I86.9Confident85.6Confident6 Ų678.6 Ų78.63%0.03143%0.427CS..Hα-helixtrans-74.9-45.1177.6-66157.2000110.4A390 L391 I470 F474 K477A390-I394 WeakPolarHBondContact O-CD1 3.37Å; A390-I394 VanDerWaalsContact O-CG1 3.26Å; A390-I394 WeakPolarHBondContact O-CG1 3.21Å; A390-I394 PolarHBondContact O-N 3.17Å; L391-I394 PolarHBondContact O-N 2.78Å; L391-I394 VanDerWaalsContact O-N 3.13Å; I394-I470 HydrophobicContact CG2-CG1 4.5Å; I394-I470 HydrophobicContact CG2-CG2 4.05Å; I394-F474 VanDerWaalsContact CD1-CA 3.44Å; I394-F474 HydrophobicContact CD1-CB 3.7Å; I394-F474 HydrophobicContact CD1-CD2 4.12Å; I394-F474 HydrophobicContact CD1-CG 4.41Å; I394-K477 HydrophobicContact CD1-CD 4.15Å; I394-K477 HydrophobicContact CG1-CD 3.67Å
395L86.3Confident85.8Confident33 Ų3376.9 Ų76.917%0.17342%0.419CS..Hα-helixtrans-69.6-39.8179.2-64.1174.9000110.9L391 G397 R398 T400 L405 I470L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 WeakPolarHBondContact O-CG 3.47Å; L391-L395 PolarHBondContact O-N 2.97Å; L395-G397 PolarHBondContact O-N 2.84Å; L395-R398 WeakPolarHBondContact O-CB 3.21Å; L395-R398 WeakPolarHBondContact O-CG 3.26Å; L395-R398 PolarHBondContact O-N 2.85Å; L395-T400 HydrophobicContact CD2-CG2 3.58Å; L395-L405 HydrophobicContact CD1-CD1 4.38Å; L395-I470 HydrophobicContact CD2-CD1 4.05Å
396N82.9Confident86.2Confident127 Ų12773.5 Ų73.568%0.67941%0.413SS*.THydrogen-bonded Turntrans40.945.7174.2-162.340.7000114.5H392 R398H392-N396 PolarHBondContact O-N 3.38Å; N396-R398 PolarHBondContact O-N 2.73Å
397G79.2Confident86.4Confident82 Ų8274.9 Ų74.985%0.84542%0.42SS*.THydrogen-bonded Turntrans81.41.7-179.700000116.2L395L395-G397 PolarHBondContact O-N 2.84Å
398R79.8Confident86.4Confident134 Ų13474.5 Ų74.551%0.50642%0.417SS..  trans-67.4135.7173.5-64.5170.6-178.5176.50.4110.2L395 N396 T400 I458L395-R398 WeakPolarHBondContact O-CB 3.21Å; L395-R398 WeakPolarHBondContact O-CG 3.26Å; L395-R398 PolarHBondContact O-N 2.85Å; N396-R398 PolarHBondContact O-N 2.73Å; R398-T400 PolarHBondContact O-N 3.34Å; R398-I458 VanDerWaalsContact NH1-CD1 3.27Å; R398-I458 VanDerWaalsContact NH1-CG2 3.29Å
399A77.7Confident86.5Confident109 Ų10972.7 Ų72.790%0.90141%0.409SS*.  trans-74.9121.6172.600000110
400T83.6Confident86.5Confident44 Ų4474.5 Ų74.527%0.2741%0.41SS..  trans-116.4143.5172.651.50000109.4L395 R398 I470L395-T400 HydrophobicContact CD2-CG2 3.58Å; R398-T400 PolarHBondContact O-N 3.34Å; T400-I470 HydrophobicContact CG2-CD1 4.16Å
401S85.3Confident86.4Confident42 Ų4275.4 Ų75.429%0.29441%0.412SS..  trans-72.4154.6174.179.70000111.2E403 V404 L405S401-E403 VanDerWaalsContact CB-OE2 3.22Å; S401-E403 WeakPolarHBondContact CB-OE2 3.44Å; S401-E403 PolarHBondContact O-N 3.44Å; S401-E403 PolarHBondContact OG-OE2 3.13Å; S401-V404 PolarHBondContact O-N 2.86Å; S401-V404 VanDerWaalsContact O-N 3.13Å; S401-V404 WeakPolarHBondContact OG-CG2 3.45Å; S401-V404 PolarHBondContact OG-N 3.48Å; S401-L405 PolarHBondContact O-N 2.82Å
402D86.8Confident86.4Confident133 Ų13375.1 Ų75.171%0.71141%0.41SS*.Hα-helixtrans-57.9-35.7-179.9-68.4-8.7000111.9L405 L406D402-L405 PolarHBondContact O-N 2.87Å; D402-L406 WeakPolarHBondContact O-CB 3.47Å; D402-L406 PolarHBondContact O-N 3.46Å
403E87.9Confident86.3Confident106 Ų10673.5 Ų73.550%0.49540%0.403SS..Hα-helixtrans-68.2-41.6178.5-47.286.3-176.200112S401 L405 L406 T407 K463S401-E403 VanDerWaalsContact CB-OE2 3.22Å; S401-E403 WeakPolarHBondContact CB-OE2 3.44Å; S401-E403 PolarHBondContact O-N 3.44Å; S401-E403 PolarHBondContact OG-OE2 3.13Å; E403-L405 VanDerWaalsContact C-N 3.33Å; E403-L406 PolarHBondContact O-N 2.89Å; E403-T407 PolarHBondContact O-N 3.37Å; E403-T407 VanDerWaalsContact O-N 3.08Å; E403-T407 PolarHBondContact O-OG1 3.37Å; E403-T407 VanDerWaalsContact O-OG1 3.12Å; E403-K463 IonicContact OE1-NZ 3.1Å; E403-K463 IonicContact OE2-NZ 3.94Å; E403-K463 PolarHBondContact OE2-NZ 2.78Å
404V87.5Confident86.3Confident9 Ų967.5 Ų67.56%0.05538%0.38CS..Hα-helixtrans-64.2-43.8176.3173.60000109.7S401 L406 T407 V408 K463 A466 A467 I470S401-V404 PolarHBondContact O-N 2.86Å; S401-V404 VanDerWaalsContact O-N 3.13Å; S401-V404 WeakPolarHBondContact OG-CG2 3.45Å; S401-V404 PolarHBondContact OG-N 3.48Å; V404-L406 PolarHBondContact O-N 3.5Å; V404-T407 PolarHBondContact O-N 3.14Å; V404-V408 HydrophobicContact CG1-CG2 4.39Å; V404-V408 WeakPolarHBondContact O-CB 3.25Å; V404-V408 VanDerWaalsContact O-CG2 3.23Å; V404-V408 WeakPolarHBondContact O-CG2 3.39Å; V404-V408 PolarHBondContact O-N 2.99Å; V404-K463 HydrophobicContact CG2-CB 3.76Å; V404-K463 HydrophobicContact CG2-CD 4.23Å; V404-K463 HydrophobicContact CG2-CG 3.97Å; V404-A466 HydrophobicContact CG1-CB 4.41Å; V404-A467 HydrophobicContact CG1-CB 4.21Å; V404-I470 HydrophobicContact CG1-CD1 4.17Å
405L89.6Confident86.3Confident47 Ų4768.8 Ų68.825%0.24639%0.387CS..Hα-helixtrans-64.2-40.9179.9-175.463000112.1L395 S401 D402 E403 V408 F409L395-L405 HydrophobicContact CD1-CD1 4.38Å; S401-L405 PolarHBondContact O-N 2.82Å; D402-L405 PolarHBondContact O-N 2.87Å; E403-L405 VanDerWaalsContact C-N 3.33Å; L405-V408 PolarHBondContact O-N 3.35Å; L405-F409 HydrophobicContact CD1-CE1 4.21Å; L405-F409 HydrophobicContact CD1-CE2 3.91Å; L405-F409 HydrophobicContact CD1-CZ 3.73Å; L405-F409 HydrophobicContact CD2-CE2 3.93Å; L405-F409 HydrophobicContact CD2-CZ 4.23Å; L405-F409 HydrophobicContact CG-CD2 4.11Å; L405-F409 HydrophobicContact CG-CE2 3.56Å; L405-F409 HydrophobicContact CG-CZ 3.91Å; L405-F409 WeakPolarHBondContact O-CD2 3.17Å; L405-F409 WeakPolarHBondContact O-CG 3.44Å; L405-F409 PolarHBondContact O-N 3.15Å
406L90.7Very high86.2Confident106 Ų10668 Ų6856%0.55538%0.383SS*.Hα-helixtrans-62-48176-179.764.2000111.4D402 E403 V404 V408 F409 I410D402-L406 WeakPolarHBondContact O-CB 3.47Å; D402-L406 PolarHBondContact O-N 3.46Å; E403-L406 PolarHBondContact O-N 2.89Å; V404-L406 PolarHBondContact O-N 3.5Å; L406-V408 VanDerWaalsContact C-N 3.33Å; L406-V408 PolarHBondContact O-N 3.13Å; L406-F409 PolarHBondContact O-N 3.33Å; L406-F409 VanDerWaalsContact O-N 3.17Å; L406-I410 HydrophobicContact CD1-CD1 4.44Å; L406-I410 HydrophobicContact CG-CD1 4.2Å; L406-I410 WeakPolarHBondContact O-CG1 3.42Å; L406-I410 PolarHBondContact O-N 3.34Å
407T89.5Confident86.4Confident60 Ų6063.3 Ų63.337%0.36836%0.358SS..Hα-helixtrans-59.1-45.2175.9-59.60000111.2E403 V404 F409 I410 E411 A467E403-T407 PolarHBondContact O-N 3.37Å; E403-T407 VanDerWaalsContact O-N 3.08Å; E403-T407 PolarHBondContact O-OG1 3.37Å; E403-T407 VanDerWaalsContact O-OG1 3.12Å; V404-T407 PolarHBondContact O-N 3.14Å; T407-F409 VanDerWaalsContact C-N 3.3Å; T407-F409 PolarHBondContact O-N 3.28Å; T407-I410 PolarHBondContact O-N 3.5Å; T407-E411 HydrophobicContact CG2-CG 4.47Å; T407-E411 WeakPolarHBondContact CG2-OE1 3.38Å; T407-E411 WeakPolarHBondContact O-CG 3.48Å; T407-E411 PolarHBondContact O-N 3.01Å; T407-A467 HydrophobicContact CG2-CB 4.08Å
408V89.6Confident86.7Confident1 Ų160.9 Ų60.91%0.00633%0.328CS..Hα-helixtrans-57.7-42.3175.5167.30000111.4L391 V404 L405 L406 E411 V412 A467 I470 V471L391-V408 HydrophobicContact CD2-CG1 3.77Å; V404-V408 HydrophobicContact CG1-CG2 4.39Å; V404-V408 WeakPolarHBondContact O-CB 3.25Å; V404-V408 VanDerWaalsContact O-CG2 3.23Å; V404-V408 WeakPolarHBondContact O-CG2 3.39Å; V404-V408 PolarHBondContact O-N 2.99Å; L405-V408 PolarHBondContact O-N 3.35Å; L406-V408 VanDerWaalsContact C-N 3.33Å; L406-V408 PolarHBondContact O-N 3.13Å; V408-E411 PolarHBondContact O-N 3.08Å; V408-V412 HydrophobicContact CG1-CG2 4.11Å; V408-V412 VanDerWaalsContact O-CB 3.25Å; V408-V412 WeakPolarHBondContact O-CB 3.42Å; V408-V412 WeakPolarHBondContact O-CG2 3.25Å; V408-V412 PolarHBondContact O-N 3.27Å; V408-A467 HydrophobicContact CG2-CB 4.11Å; V408-I470 HydrophobicContact CB-CG2 4.44Å; V408-I470 HydrophobicContact CG1-CG2 3.65Å; V408-I470 HydrophobicContact CG2-CB 3.94Å; V408-I470 HydrophobicContact CG2-CD1 4.04Å; V408-I470 HydrophobicContact CG2-CG2 3.85Å; V408-V471 HydrophobicContact CG2-CG2 4.35Å
409F90.4Very high86.9Confident103 Ų10358.2 Ų58.245%0.45232%0.318SS..Hα-helixtrans-64.8-42.2177.9-73-39.3000113L391 L405 L406 T407 E411 V412 E413L391-F409 HydrophobicContact CD1-CD1 3.99Å; L391-F409 HydrophobicContact CD1-CE1 3.72Å; L405-F409 HydrophobicContact CD1-CE1 4.21Å; L405-F409 HydrophobicContact CD1-CE2 3.91Å; L405-F409 HydrophobicContact CD1-CZ 3.73Å; L405-F409 HydrophobicContact CD2-CE2 3.93Å; L405-F409 HydrophobicContact CD2-CZ 4.23Å; L405-F409 HydrophobicContact CG-CD2 4.11Å; L405-F409 HydrophobicContact CG-CE2 3.56Å; L405-F409 HydrophobicContact CG-CZ 3.91Å; L405-F409 WeakPolarHBondContact O-CD2 3.17Å; L405-F409 WeakPolarHBondContact O-CG 3.44Å; L405-F409 PolarHBondContact O-N 3.15Å; L406-F409 PolarHBondContact O-N 3.33Å; L406-F409 VanDerWaalsContact O-N 3.17Å; T407-F409 VanDerWaalsContact C-N 3.3Å; T407-F409 PolarHBondContact O-N 3.28Å; F409-E411 VanDerWaalsContact C-N 3.35Å; F409-V412 PolarHBondContact O-N 3.38Å; F409-E413 VanDerWaalsContact O-CB 3.3Å; F409-E413 WeakPolarHBondContact O-CB 3.12Å; F409-E413 PolarHBondContact O-N 3.1Å
410I87.7Confident87.2Confident98 Ų9854.7 Ų54.750%0.50329%0.286SS..Hα-helixtrans-62.6-44.4177.3-66.4167.3000110.4L406 T407 E413 S414L406-I410 HydrophobicContact CD1-CD1 4.44Å; L406-I410 HydrophobicContact CG-CD1 4.2Å; L406-I410 WeakPolarHBondContact O-CG1 3.42Å; L406-I410 PolarHBondContact O-N 3.34Å; T407-I410 PolarHBondContact O-N 3.5Å; I410-E413 PolarHBondContact O-N 2.88Å; I410-S414 WeakPolarHBondContact O-CB 3.33Å; I410-S414 PolarHBondContact O-N 3.28Å
411E88.1Confident87.1Confident33 Ų3356.9 Ų56.915%0.15430%0.295CS..Hα-helixtrans-68.8-41.8179.1-71.1-170.4-14200112.1T407 V408 F409 E413 S414 L415 Q468 V471T407-E411 HydrophobicContact CG2-CG 4.47Å; T407-E411 WeakPolarHBondContact CG2-OE1 3.38Å; T407-E411 WeakPolarHBondContact O-CG 3.48Å; T407-E411 PolarHBondContact O-N 3.01Å; V408-E411 PolarHBondContact O-N 3.08Å; F409-E411 VanDerWaalsContact C-N 3.35Å; E411-E413 VanDerWaalsContact C-N 3.34Å; E411-E413 PolarHBondContact O-N 3.42Å; E411-S414 WeakPolarHBondContact O-CB 3.49Å; E411-S414 PolarHBondContact O-N 3.09Å; E411-L415 WeakPolarHBondContact O-CG 3.28Å; E411-L415 PolarHBondContact O-N 2.84Å; E411-Q468 PolarHBondContact OE1-NE2 3.22Å; E411-Q468 PolarHBondContact OE2-NE2 3.09Å; E411-V471 HydrophobicContact CB-CG1 4.13Å; E411-V471 HydrophobicContact CB-CG2 3.65Å; E411-V471 HydrophobicContact CG-CG2 4.42Å; E411-V471 WeakPolarHBondContact OE2-CG2 3.49Å
412V88.8Confident86.8Confident6 Ų659 Ų594%0.03631%0.307CS..Hα-helixtrans-62.1-41.9174.2165.50000111.2A387 L391 V408 F409 S414 L415 L416 F474A387-V412 HydrophobicContact CB-CG1 4.38Å; L391-V412 HydrophobicContact CD2-CG2 4.27Å; V408-V412 HydrophobicContact CG1-CG2 4.11Å; V408-V412 VanDerWaalsContact O-CB 3.25Å; V408-V412 WeakPolarHBondContact O-CB 3.42Å; V408-V412 WeakPolarHBondContact O-CG2 3.25Å; V408-V412 PolarHBondContact O-N 3.27Å; F409-V412 PolarHBondContact O-N 3.38Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-L415 PolarHBondContact O-N 3.35Å; V412-L416 HydrophobicContact CG1-CD1 4.13Å; V412-L416 HydrophobicContact CG1-CG 4.44Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.19Å; V412-L416 PolarHBondContact O-N 3.32Å; V412-F474 HydrophobicContact CB-CE1 4.42Å; V412-F474 HydrophobicContact CB-CZ 4.49Å; V412-F474 HydrophobicContact CG1-CD1 4.42Å; V412-F474 HydrophobicContact CG1-CE1 3.77Å; V412-F474 HydrophobicContact CG1-CE2 3.91Å; V412-F474 HydrophobicContact CG1-CZ 3.47Å; V412-F474 VanDerWaalsContact CG1-CZ 3.47Å; V412-F474 HydrophobicContact CG2-CD1 3.95Å; V412-F474 HydrophobicContact CG2-CD2 4.12Å; V412-F474 HydrophobicContact CG2-CE1 4.14Å; V412-F474 HydrophobicContact CG2-CE2 4.29Å; V412-F474 HydrophobicContact CG2-CG 3.94Å; V412-F474 HydrophobicContact CG2-CZ 4.3Å
413E87.9Confident86.4Confident115 Ų11560.3 Ų60.354%0.53731%0.308SS..Hα-helixtrans-59.1-47.3173.2178.8-177.8174.800110.7F409 I410 E411 L415 L416 N417F409-E413 VanDerWaalsContact O-CB 3.3Å; F409-E413 WeakPolarHBondContact O-CB 3.12Å; F409-E413 PolarHBondContact O-N 3.1Å; I410-E413 PolarHBondContact O-N 2.88Å; E411-E413 VanDerWaalsContact C-N 3.34Å; E411-E413 PolarHBondContact O-N 3.42Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 3.34Å; E413-L416 PolarHBondContact O-N 2.9Å; E413-N417 WeakPolarHBondContact O-CB 3.3Å; E413-N417 VanDerWaalsContact O-CG 3.31Å; E413-N417 PolarHBondContact O-N 3.35Å; E413-N417 PolarHBondContact O-ND2 3.43Å
414S86.5Confident85.8Confident24 Ų2458.3 Ų58.317%0.16830%0.3CS..Hα-helixtrans-59.8-41.5177.7-169.10000112.6I410 E411 V412 N417 S418 N437 P446I410-S414 WeakPolarHBondContact O-CB 3.33Å; I410-S414 PolarHBondContact O-N 3.28Å; E411-S414 WeakPolarHBondContact O-CB 3.49Å; E411-S414 PolarHBondContact O-N 3.09Å; V412-S414 VanDerWaalsContact C-N 3.33Å; S414-N417 CarbonylContact O-C 3.53Å; S414-N417 PolarHBondContact O-N 3.32Å; S414-S418 PolarHBondContact O-N 3.16Å; S414-N437 PolarHBondContact O-ND2 3.49Å; S414-P446 WeakPolarHBondContact OG-CD 3.15Å; S414-P446 WeakPolarHBondContact OG-CG 3.29Å
415L86Confident85.4Confident33 Ų3360.2 Ų60.217%0.17331%0.314CS..Hα-helixtrans-66-40174.5-74.7179.2000112.8E411 V412 E413 N417 S418 V471 F474 L475E411-L415 WeakPolarHBondContact O-CG 3.28Å; E411-L415 PolarHBondContact O-N 2.84Å; V412-L415 PolarHBondContact O-N 3.35Å; E413-L415 VanDerWaalsContact C-N 3.33Å; E413-L415 PolarHBondContact O-N 3.34Å; L415-N417 PolarHBondContact O-N 2.87Å; L415-S418 PolarHBondContact O-N 3.27Å; L415-S418 PolarHBondContact O-OG 2.97Å; L415-V471 HydrophobicContact CD1-CG1 3.54Å; L415-V471 HydrophobicContact CG-CG1 4.48Å; L415-F474 HydrophobicContact CD1-CD1 4.19Å; L415-L475 HydrophobicContact CD1-CB 4.37Å; L415-L475 HydrophobicContact CD2-CD1 4.33Å
416L85.8Confident85.1Confident17 Ų1765.9 Ų65.99%0.08934%0.343CS..Hα-helixtrans-65.4-32.7175.3-71.3174.1000111.5M383 A387 V412 E413 R419 M478M383-L416 HydrophobicContact CE-CB 4.41Å; M383-L416 HydrophobicContact CE-CD1 4.49Å; M383-L416 HydrophobicContact CG-CD1 4.26Å; M383-L416 HydrophobicContact CG-CD2 3.92Å; M383-L416 HydrophobicContact SD-CB 4.28Å; M383-L416 HydrophobicContact SD-CD2 4.18Å; A387-L416 HydrophobicContact CB-CD1 4.04Å; V412-L416 HydrophobicContact CG1-CD1 4.13Å; V412-L416 HydrophobicContact CG1-CG 4.44Å; V412-L416 VanDerWaalsContact O-CG 3.27Å; V412-L416 WeakPolarHBondContact O-CG 3.19Å; V412-L416 PolarHBondContact O-N 3.32Å; E413-L416 PolarHBondContact O-N 2.9Å; L416-R419 WeakPolarHBondContact O-CB 3.46Å; L416-R419 PolarHBondContact O-NH1 2.93Å; L416-R419 VanDerWaalsContact O-NH1 3.1Å; L416-M478 HydrophobicContact CD2-CE 3.93Å
417N86.7Confident84.8Confident27 Ų2764.6 Ų64.614%0.14434%0.336CS..Hα-helixtrans-83.6-9.5178-69.9-24000113.8E413 S414 L415 R419 P436 N437E413-N417 WeakPolarHBondContact O-CB 3.3Å; E413-N417 VanDerWaalsContact O-CG 3.31Å; E413-N417 PolarHBondContact O-N 3.35Å; E413-N417 PolarHBondContact O-ND2 3.43Å; S414-N417 CarbonylContact O-C 3.53Å; S414-N417 PolarHBondContact O-N 3.32Å; L415-N417 PolarHBondContact O-N 2.87Å; N417-R419 VanDerWaalsContact C-N 3.32Å; N417-P436 HydrophobicContact CB-CB 3.92Å; N417-P436 WeakPolarHBondContact O-CD 3.27Å; N417-N437 VanDerWaalsContact C-ND2 3.33Å; N417-N437 WeakPolarHBondContact CB-OD1 3.43Å; N417-N437 PolarHBondContact O-N 2.83Å; N417-N437 PolarHBondContact O-ND2 3.31Å
418S84.5Confident84.4Confident32 Ų3267.8 Ų67.822%0.22436%0.358CS..THydrogen-bonded Turntrans-86.4-3.617168.90000113.2S414 L415 T435 N437 S444S414-S418 PolarHBondContact O-N 3.16Å; L415-S418 PolarHBondContact O-N 3.27Å; L415-S418 PolarHBondContact O-OG 2.97Å; S418-T435 VanDerWaalsContact O-CG2 3.24Å; S418-T435 WeakPolarHBondContact O-CG2 3.18Å; S418-N437 PolarHBondContact N-ND2 3.42Å; S418-S444 WeakPolarHBondContact CB-O 3.23Å
419R83.9Confident84.1Confident77 Ų7772.5 Ų72.529%0.29139%0.391SS..SBendtrans-64.7134.7176.6-173.6-169.661.2-101.20.6111.3M383 L416 N417 T435 P436M383-R419 PolarHBondContact SD-NH1 3.31Å; L416-R419 WeakPolarHBondContact O-CB 3.46Å; L416-R419 PolarHBondContact O-NH1 2.93Å; L416-R419 VanDerWaalsContact O-NH1 3.1Å; N417-R419 VanDerWaalsContact C-N 3.32Å; R419-T435 WeakPolarHBondContact O-CB 3.43Å; R419-P436 WeakPolarHBondContact O-CD 3.37Å
420P84.7Confident83.7Confident35 Ų3571.7 Ų71.723%0.22739%0.391CS..  trans-56.8138.9169.2-26.937.4000112.6I424 L433P420-I424 HydrophobicContact CB-CG1 4.19Å; P420-I424 HydrophobicContact CG-CD1 4.02Å; P420-I424 HydrophobicContact CG-CG1 3.92Å; P420-L433 HydrophobicContact CB-CB 4.33Å; P420-L433 HydrophobicContact CB-CD1 4.16Å; P420-L433 HydrophobicContact CG-CD1 4.21Å
421L81.6Confident83.4Confident91 Ų9172.2 Ų72.248%0.47640%0.401SS..SBendtrans-81.8-22.8174.5-67.3178.4000112.6L434 P436 F439L421-L434 WeakPolarHBondContact CB-O 3.27Å; L421-L434 HydrophobicContact CD1-CB 4.39Å; L421-L434 PolarHBondContact N-O 3.24Å; L421-P436 HydrophobicContact CD2-CG 3.91Å; L421-F439 HydrophobicContact CD1-CD2 4.4Å; L421-F439 HydrophobicContact CD1-CE2 3.64Å
422T78.1Confident83Confident87 Ų8777 Ų7753%0.53442%0.424SS..SBendtrans-122.3171.6-176.956.60000111
423H77.9Confident82.7Confident160 Ų16078.9 Ų78.974%0.74143%0.433SS*.  trans-55138.1171.7-177.6-86.4000110.8S425 L433H423-S425 PolarHBondContact O-N 3.25Å; H423-L433 WeakPolarHBondContact O-CD2 3.5Å
424I76.7Confident82.5Confident64 Ų6477.8 Ų77.833%0.32843%0.431SS..  trans-79113.8176.2-65.6158.7000108.1P420 L433 P484P420-I424 HydrophobicContact CB-CG1 4.19Å; P420-I424 HydrophobicContact CG-CD1 4.02Å; P420-I424 HydrophobicContact CG-CG1 3.92Å; I424-L433 HydrophobicContact CB-CD1 3.84Å; I424-L433 HydrophobicContact CG1-CD1 3.42Å; I424-L433 VanDerWaalsContact CG1-CD1 3.42Å; I424-L433 HydrophobicContact CG2-CD1 3.95Å; I424-P484 HydrophobicContact CD1-CB 3.84Å; I424-P484 VanDerWaalsContact CD1-CD 3.49Å; I424-P484 HydrophobicContact CD1-CG 3.45Å; I424-P484 VanDerWaalsContact CD1-CG 3.45Å
425S77.7Confident82.4Confident48 Ų4876.9 Ų76.934%0.33642%0.424SS..  trans-69.1149.1175.4-168.20000111.2H423 D427 D430H423-S425 PolarHBondContact O-N 3.25Å; S425-D427 PolarHBondContact OG-N 3.08Å; S425-D430 WeakPolarHBondContact CB-OD2 3.38Å; S425-D430 PolarHBondContact OG-OD2 2.83Å
426I84.2Confident82.3Confident166 Ų16676.4 Ų76.485%0.85142%0.423SS*.SBendtrans-89.5-16.1176.4-45.2164.6000109.8P428I426-P428 WeakPolarHBondContact O-CD 3.47Å
427D83.5Confident82.1Confident80 Ų8075.8 Ų75.843%0.42842%0.42SS..  trans-80.5118.1179.5-168.2-19.5000110.5S425 S429 D430S425-D427 PolarHBondContact OG-N 3.08Å; D427-S429 PolarHBondContact O-N 2.99Å; D427-S429 WeakPolarHBondContact OD1-CB 3.22Å; D427-S429 PolarHBondContact OD1-N 3.03Å; D427-S429 PolarHBondContact OD1-OG 3.32Å; D427-D430 PolarHBondContact O-N 3.08Å
428P81.1Confident81.8Confident127 Ų12776.3 Ų76.383%0.82542%0.421SS*.THydrogen-bonded Turntrans-68-10.3177.130.1-36.8000113.6I426 D430I426-P428 WeakPolarHBondContact O-CD 3.47Å; P428-D430 VanDerWaalsContact C-N 3.31Å
429S85Confident81.5Confident100 Ų10080.8 Ų80.870%0.69944%0.437SS*.THydrogen-bonded Turntrans-79.8-15.8177.1-36.50000112.6D427D427-S429 PolarHBondContact O-N 2.99Å; D427-S429 WeakPolarHBondContact OD1-CB 3.22Å; D427-S429 PolarHBondContact OD1-N 3.03Å; D427-S429 PolarHBondContact OD1-OG 3.32Å
430D82.1Confident81.2Confident85 Ų8582.6 Ų82.646%0.45545%0.452SS..SBendtrans-73.9149.1180-78.8-24.3000111.9S425 D427 P428S425-D430 WeakPolarHBondContact CB-OD2 3.38Å; S425-D430 PolarHBondContact OG-OD2 2.83Å; D427-D430 PolarHBondContact O-N 3.08Å; P428-D430 VanDerWaalsContact C-N 3.31Å
431P81.1Confident80.8Confident110 Ų11085.3 Ų85.371%0.71446%0.464SS*.PPolyproline II helixtrans-64.9156.5-179.227.1-34.6000112.5L433P431-L433 PolarHBondContact O-N 3.17Å
432E79.5Confident80.6Confident134 Ų13484 Ų8463%0.62647%0.472SS*.PPolyproline II helixtrans-52.3134.4175.2-175.9177-173.600111H438 S444E432-H438 IonicContact OE1-CE1 3.47Å; E432-H438 IonicContact OE1-NE2 3.22Å; E432-H438 PolarHBondContact OE1-NE2 3.44Å; E432-H438 IonicContact OE2-NE2 3.82Å; E432-S444 WeakPolarHBondContact OE1-CB 3.37Å; E432-S444 PolarHBondContact OE1-OG 2.92Å
433L83Confident80.6Confident45 Ų4586.5 Ų86.524%0.23647%0.472CS..PPolyproline II helixtrans-70.8134.9-177.2-61.6168.1000111.1P420 H423 I424 P431 T435 H438P420-L433 HydrophobicContact CB-CB 4.33Å; P420-L433 HydrophobicContact CB-CD1 4.16Å; P420-L433 HydrophobicContact CG-CD1 4.21Å; H423-L433 WeakPolarHBondContact O-CD2 3.5Å; I424-L433 HydrophobicContact CB-CD1 3.84Å; I424-L433 HydrophobicContact CG1-CD1 3.42Å; I424-L433 VanDerWaalsContact CG1-CD1 3.42Å; I424-L433 HydrophobicContact CG2-CD1 3.95Å; P431-L433 PolarHBondContact O-N 3.17Å; L433-T435 PolarHBondContact O-N 2.87Å; L433-H438 PolarHBondContact O-CE1 3.12Å
434L83.2Confident80.6Confident91 Ų9180.6 Ų80.648%0.47645%0.449SS..PPolyproline II helixtrans-68.6134.2174.6-72.1167000110.9L421 H438 F439L421-L434 WeakPolarHBondContact CB-O 3.27Å; L421-L434 HydrophobicContact CD1-CB 4.39Å; L421-L434 PolarHBondContact N-O 3.24Å; L434-H438 HydrophobicContact CD2-CB 4.19Å; L434-F439 HydrophobicContact CB-CE2 4.41Å; L434-F439 HydrophobicContact CD1-CZ 4.32Å; L434-F439 HydrophobicContact CD2-CE2 4.41Å; L434-F439 HydrophobicContact CD2-CZ 4.23Å
435T84.1Confident80.3Confident5 Ų580.7 Ų80.73%0.03145%0.454CS..  trans-126158.517571.20000108.4S418 R419 L433 N437 H438 F439S418-T435 VanDerWaalsContact O-CG2 3.24Å; S418-T435 WeakPolarHBondContact O-CG2 3.18Å; R419-T435 WeakPolarHBondContact O-CB 3.43Å; L433-T435 PolarHBondContact O-N 2.87Å; T435-N437 PolarHBondContact O-N 3.46Å; T435-N437 PolarHBondContact OG1-N 2.99Å; T435-H438 PolarHBondContact N-ND1 3.35Å; T435-H438 WeakPolarHBondContact O-CB 3.45Å; T435-H438 PolarHBondContact O-N 2.79Å; T435-H438 PolarHBondContact OG1-N 2.8Å; T435-H438 PolarHBondContact OG1-ND1 2.8Å; T435-F439 WeakPolarHBondContact O-CD2 3.12Å
436P83.7Confident79.8Confident24 Ų2480.6 Ų80.616%0.15645%0.452CS..Hα-helixtrans-51.3-37.5171.6-27.332.8000113.9N417 R419 L421 H438 F439 L440N417-P436 HydrophobicContact CB-CB 3.92Å; N417-P436 WeakPolarHBondContact O-CD 3.27Å; R419-P436 WeakPolarHBondContact O-CD 3.37Å; L421-P436 HydrophobicContact CD2-CG 3.91Å; P436-H438 VanDerWaalsContact C-N 3.25Å; P436-H438 PolarHBondContact O-N 2.77Å; P436-F439 PolarHBondContact O-N 3.06Å; P436-L440 WeakPolarHBondContact O-CG 3.44Å; P436-L440 PolarHBondContact O-N 3.29Å; P436-L440 VanDerWaalsContact O-N 3.15Å
437N82.5Confident78.9Confident3 Ų376.4 Ų76.42%0.01643%0.429CS..Hα-helixtrans-62.7-27.3176.7-76.5-28000113.3S414 N417 S418 T435 F439 L440 L441 G442 R443 S444S414-N437 PolarHBondContact O-ND2 3.49Å; N417-N437 VanDerWaalsContact C-ND2 3.33Å; N417-N437 WeakPolarHBondContact CB-OD1 3.43Å; N417-N437 PolarHBondContact O-N 2.83Å; N417-N437 PolarHBondContact O-ND2 3.31Å; S418-N437 PolarHBondContact N-ND2 3.42Å; T435-N437 PolarHBondContact O-N 3.46Å; T435-N437 PolarHBondContact OG1-N 2.99Å; N437-F439 PolarHBondContact O-N 3.18Å; N437-L440 PolarHBondContact O-N 2.73Å; N437-L441 HydrophobicContact CB-CD1 4.35Å; N437-L441 WeakPolarHBondContact O-CA 3.41Å; N437-L441 WeakPolarHBondContact O-CB 3.36Å; N437-L441 PolarHBondContact O-N 3.05Å; N437-G442 PolarHBondContact O-N 3.1Å; N437-R443 CarbonylContact C-O 3.32Å; N437-R443 WeakPolarHBondContact CB-O 3.26Å; N437-S444 WeakPolarHBondContact CB-O 3.39Å; N437-S444 PolarHBondContact ND2-O 2.91Å
438H80.4Confident78Confident39 Ų3978.4 Ų78.418%0.18144%0.444CS..Hα-helixtrans-61.5-36.8173-7599.2000112.1E432 L433 L434 T435 P436 G442 R443 S444E432-H438 IonicContact OE1-CE1 3.47Å; E432-H438 IonicContact OE1-NE2 3.22Å; E432-H438 PolarHBondContact OE1-NE2 3.44Å; E432-H438 IonicContact OE2-NE2 3.82Å; L433-H438 PolarHBondContact O-CE1 3.12Å; L434-H438 HydrophobicContact CD2-CB 4.19Å; T435-H438 PolarHBondContact N-ND1 3.35Å; T435-H438 WeakPolarHBondContact O-CB 3.45Å; T435-H438 PolarHBondContact O-N 2.79Å; T435-H438 PolarHBondContact OG1-N 2.8Å; T435-H438 PolarHBondContact OG1-ND1 2.8Å; P436-H438 VanDerWaalsContact C-N 3.25Å; P436-H438 PolarHBondContact O-N 2.77Å; H438-G442 WeakPolarHBondContact O-CA 3.25Å; H438-G442 PolarHBondContact O-N 3.4Å; H438-G442 VanDerWaalsContact O-N 3.12Å; H438-R443 PolarHBondContact N-O 3.43Å; H438-S444 VanDerWaalsContact CE1-CB 3.45Å; H438-S444 WeakPolarHBondContact CE1-CB 3.35Å
439F77.9Confident77.2Confident125 Ų12575.2 Ų75.255%0.54842%0.423SS..Hα-helixtrans-79.4-31.6178-60.7-81.5000112.8L421 L434 T435 P436 N437L421-F439 HydrophobicContact CD1-CD2 4.4Å; L421-F439 HydrophobicContact CD1-CE2 3.64Å; L434-F439 HydrophobicContact CB-CE2 4.41Å; L434-F439 HydrophobicContact CD1-CZ 4.32Å; L434-F439 HydrophobicContact CD2-CE2 4.41Å; L434-F439 HydrophobicContact CD2-CZ 4.23Å; T435-F439 WeakPolarHBondContact O-CD2 3.12Å; P436-F439 PolarHBondContact O-N 3.06Å; N437-F439 PolarHBondContact O-N 3.18Å
440L77.7Confident76.1Confident116 Ų11675 Ų7561%0.60742%0.419SS*.Hα-helixtrans-88.2-37.5-176.3-63.6173.7000113.4P436 N437P436-L440 WeakPolarHBondContact O-CG 3.44Å; P436-L440 PolarHBondContact O-N 3.29Å; P436-L440 VanDerWaalsContact O-N 3.15Å; N437-L440 PolarHBondContact O-N 2.73Å
441L76.1Confident75.5Confident92 Ų9274.4 Ų74.448%0.48242%0.416SS..Hα-helixtrans-125.5-10.5-169.6-56.2176000113.3N437 R443 P446N437-L441 HydrophobicContact CB-CD1 4.35Å; N437-L441 WeakPolarHBondContact O-CA 3.41Å; N437-L441 WeakPolarHBondContact O-CB 3.36Å; N437-L441 PolarHBondContact O-N 3.05Å; L441-R443 VanDerWaalsContact C-N 3.31Å; L441-R443 HydrophobicContact CB-CG 4.38Å; L441-R443 PolarHBondContact O-N 3.39Å; L441-P446 HydrophobicContact CD1-CB 4Å; L441-P446 HydrophobicContact CD1-CG 3.87Å
442G76Confident75.1Confident62 Ų6275.3 Ų75.364%0.63942%0.419SS*.SBendtrans788-175.800000115.1N437 H438N437-G442 PolarHBondContact O-N 3.1Å; H438-G442 WeakPolarHBondContact O-CA 3.25Å; H438-G442 PolarHBondContact O-N 3.4Å; H438-G442 VanDerWaalsContact O-N 3.12Å
443R78.3Confident75Confident140 Ų14069.7 Ų69.753%0.52839%0.394SS..SBendtrans-150.6157-179.961.4-177.9-177.4-127.97.9111.9N437 H438 L441N437-R443 CarbonylContact C-O 3.32Å; N437-R443 WeakPolarHBondContact CB-O 3.26Å; H438-R443 PolarHBondContact N-O 3.43Å; L441-R443 VanDerWaalsContact C-N 3.31Å; L441-R443 HydrophobicContact CB-CG 4.38Å; L441-R443 PolarHBondContact O-N 3.39Å
444S77.7Confident74.7Confident37 Ų3771 Ų7126%0.25940%0.404SS..SBendtrans-68.7-47.8-176.144.70000115S418 E432 N437 H438S418-S444 WeakPolarHBondContact CB-O 3.23Å; E432-S444 WeakPolarHBondContact OE1-CB 3.37Å; E432-S444 PolarHBondContact OE1-OG 2.92Å; N437-S444 WeakPolarHBondContact CB-O 3.39Å; N437-S444 PolarHBondContact ND2-O 2.91Å; H438-S444 VanDerWaalsContact CE1-CB 3.45Å; H438-S444 WeakPolarHBondContact CE1-CB 3.35Å
445C72.1Confident74.1Confident65 Ų6572.4 Ų72.444%0.43941%0.408SS..  trans-131.6122-178-165.90000110.5H447C445-H447 PolarHBondContact SG-O 2.89Å
446P66.2Low73.7Confident46 Ų4678.8 Ų78.830%0.29944%0.441SS..  trans-82.8-14.4177.331.5-33.2000114.3S414 L441S414-P446 WeakPolarHBondContact OG-CD 3.15Å; S414-P446 WeakPolarHBondContact OG-CG 3.29Å; L441-P446 HydrophobicContact CD1-CB 4Å; L441-P446 HydrophobicContact CD1-CG 3.87Å
447H65.9Low73.5Confident78 Ų7879.5 Ų79.536%0.36144%0.443SS..  trans-124.7137.8-166.4-169.248.4000113C445 Q468C445-H447 PolarHBondContact SG-O 2.89Å; H447-Q468 PolarHBondContact NE2-NE2 2.82Å; H447-Q468 PolarHBondContact NE2-OE1 2.76Å
448V63.4Low73.1Confident123 Ų12380.1 Ų80.175%0.74545%0.446SS*.  trans-120.5122.1165.1-178.80000105.5
449P64.2Low72.8Confident60 Ų6083.2 Ų83.239%0.3947%0.472SS..  trans-54.5133.4177.9-23.632.2000110.4D451P449-D451 PolarHBondContact O-N 3.29Å
450P63.3Low72.8Confident94 Ų9478.8 Ų78.861%0.6146%0.457SS*.SBendtrans-73.3-16.1-176.128.6-35000113.6W464P450-W464 HydrophobicContact CG-CE3 4.46Å; P450-W464 HydrophobicContact CG-CZ3 3.93Å
451D68.9Low72.8Confident73 Ų7385.2 Ų85.239%0.3947%0.473SS..SBendtrans-156.5160.3-170.6-157.20.1000110.2P449 V453 W464 R465P449-D451 PolarHBondContact O-N 3.29Å; D451-V453 PolarHBondContact O-N 2.87Å; D451-W464 HydrophobicContact CB-CH2 4.03Å; D451-W464 HydrophobicContact CB-CZ3 4.36Å; D451-R465 IonicContact OD2-CZ 3.73Å; D451-R465 IonicContact OD2-NE 3.98Å; D451-R465 IonicContact OD2-NH2 3.79Å; D451-R465 PolarHBondContact OD2-NH2 3.13Å
452V72.8Confident73.1Confident129 Ų12987.5 Ų87.578%0.78248%0.475SS*.  trans-82.7113.7172.9-1800000108.4
453V78Confident73.5Confident17 Ų1789.9 Ų89.910%0.10347%0.468CS..  trans-109.3143.2-176.9-172.90000109.9D451 D457 Q468 A469D451-V453 PolarHBondContact O-N 2.87Å; V453-D457 HydrophobicContact CG1-CB 3.45Å; V453-D457 VanDerWaalsContact CG1-CB 3.45Å; V453-Q468 HydrophobicContact CB-CB 4.47Å; V453-Q468 HydrophobicContact CG2-CB 3.97Å; V453-A469 HydrophobicContact CG1-CB 3.56Å
454T76.1Confident73.8Confident71 Ų7188.4 Ų88.444%0.43646%0.463SS..  trans-112.7164.4-178.663.40000111.8I456 D457T454-I456 PolarHBondContact O-N 3.35Å; T454-D457 PolarHBondContact N-OD2 3.34Å; T454-D457 WeakPolarHBondContact O-CB 3.39Å; T454-D457 PolarHBondContact O-N 3.45Å; T454-D457 PolarHBondContact OG1-OD2 3.43Å; T454-D457 VanDerWaalsContact OG1-OD2 3.09Å
455E71.3Confident74.1Confident121 Ų12189.2 Ų89.257%0.56546%0.46SS*.G310 helixtrans-56.6-23.5177.4-71-16514900113.8D457 I458E455-D457 PolarHBondContact O-N 2.93Å; E455-I458 HydrophobicContact CB-CD1 4.43Å; E455-I458 WeakPolarHBondContact O-CD1 3.37Å; E455-I458 VanDerWaalsContact O-CG1 3.29Å; E455-I458 WeakPolarHBondContact O-CG1 3.31Å; E455-I458 PolarHBondContact O-N 3.49Å
456I74.3Confident74.8Confident140 Ų14086.5 Ų86.572%0.71844%0.442SS*.G310 helixtrans-67-29.4177.7-50.8173.9000110.7T454 I458 S459T454-I456 PolarHBondContact O-N 3.35Å; I456-I458 PolarHBondContact O-N 3.36Å; I456-S459 PolarHBondContact O-OG 3.39Å
457D79.7Confident75.8Confident38 Ų3884.4 Ų84.420%0.20343%0.429CS..G310 helixtrans-74.9-7.5-178.9-68.8-66.6000113.9V453 T454 E455 S459 S460 R465 A466 A469V453-D457 HydrophobicContact CG1-CB 3.45Å; V453-D457 VanDerWaalsContact CG1-CB 3.45Å; T454-D457 PolarHBondContact N-OD2 3.34Å; T454-D457 WeakPolarHBondContact O-CB 3.39Å; T454-D457 PolarHBondContact O-N 3.45Å; T454-D457 PolarHBondContact OG1-OD2 3.43Å; T454-D457 VanDerWaalsContact OG1-OD2 3.09Å; E455-D457 PolarHBondContact O-N 2.93Å; D457-S459 PolarHBondContact O-N 3.33Å; D457-S460 WeakPolarHBondContact O-CA 3.3Å; D457-S460 WeakPolarHBondContact O-CB 3.33Å; D457-S460 PolarHBondContact O-N 2.89Å; D457-R465 HydrophobicContact CB-CB 4.33Å; D457-A466 WeakPolarHBondContact O-CA 3.48Å; D457-A469 HydrophobicContact CB-CB 4.05Å
458I75.7Confident76.8Confident16 Ų1681.1 Ų81.18%0.08241%0.413CS..G310 helixtrans-58.5-31.9174.5-61.6169.3000110.8R398 E455 I456 A466 A469 I470R398-I458 VanDerWaalsContact NH1-CD1 3.27Å; R398-I458 VanDerWaalsContact NH1-CG2 3.29Å; E455-I458 HydrophobicContact CB-CD1 4.43Å; E455-I458 WeakPolarHBondContact O-CD1 3.37Å; E455-I458 VanDerWaalsContact O-CG1 3.29Å; E455-I458 WeakPolarHBondContact O-CG1 3.31Å; E455-I458 PolarHBondContact O-N 3.49Å; I456-I458 PolarHBondContact O-N 3.36Å; I458-A466 WeakPolarHBondContact O-CB 3.26Å; I458-A469 HydrophobicContact CB-CB 4.34Å; I458-A469 HydrophobicContact CG1-CB 3.49Å; I458-A469 VanDerWaalsContact CG1-CB 3.49Å; I458-I470 HydrophobicContact CG1-CG1 4.41Å; I458-I470 HydrophobicContact CG2-CD1 4.39Å; I458-I470 HydrophobicContact CG2-CG1 3.92Å
459S73.7Confident77.8Confident105 Ų10575.3 Ų75.373%0.73438%0.378SS*.G310 helixtrans-94.212.7173.651.10000114.3I456 D457I456-S459 PolarHBondContact O-OG 3.39Å; D457-S459 PolarHBondContact O-N 3.33Å
460S77.6Confident79Confident32 Ų3272.5 Ų72.522%0.22436%0.36CS..  trans-63.7138.4-177.7-169.50000111.5D457 R462D457-S460 WeakPolarHBondContact O-CA 3.3Å; D457-S460 WeakPolarHBondContact O-CB 3.33Å; D457-S460 PolarHBondContact O-N 2.89Å; S460-R462 PolarHBondContact O-N 3.49Å; S460-R462 PolarHBondContact OG-N 3.35Å
461R77.7Confident80.1Confident250 Ų25068.4 Ų68.494%0.94333%0.333SS*.SBendtrans-63.2-21.8170.2-67.2-173.5178.2-159.5-0.1112.1K463R461-K463 PolarHBondContact O-N 2.96Å
462R83.1Confident80.9Confident141 Ų14166.7 Ų66.753%0.53232%0.324SS..SBendtrans-79.798.2173.4-63.8-176.2-175.2-167.6-1.1108.2S460 W464 R465 A466S460-R462 PolarHBondContact O-N 3.49Å; S460-R462 PolarHBondContact OG-N 3.35Å; R462-W464 PolarHBondContact O-N 2.84Å; R462-W464 VanDerWaalsContact O-N 3.08Å; R462-R465 HydrophobicContact CB-CB 4.22Å; R462-R465 HydrophobicContact CB-CG 4.22Å; R462-R465 WeakPolarHBondContact O-CB 3.48Å; R462-R465 PolarHBondContact O-N 3.02Å; R462-A466 PolarHBondContact O-N 2.88Å; R462-A466 VanDerWaalsContact O-N 3.15Å
463K83.3Confident81.5Confident111 Ų11160.8 Ų60.848%0.48329%0.288SS..Hα-helixtrans-47.9-38.8-176.9-70.7-170.3176.6-171.60113.9E403 V404 R461 A466 A467E403-K463 IonicContact OE1-NZ 3.1Å; E403-K463 IonicContact OE2-NZ 3.94Å; E403-K463 PolarHBondContact OE2-NZ 2.78Å; V404-K463 HydrophobicContact CG2-CB 3.76Å; V404-K463 HydrophobicContact CG2-CD 4.23Å; V404-K463 HydrophobicContact CG2-CG 3.97Å; R461-K463 PolarHBondContact O-N 2.96Å; K463-A466 PolarHBondContact O-N 3.5Å; K463-A467 PolarHBondContact O-N 2.82Å
464W84.7Confident82Confident110 Ų11060.1 Ų60.142%0.41728%0.284SS..Hα-helixtrans-67.3-35.8177.973.8-98.6000113.2P450 D451 R462 A467 Q468P450-W464 HydrophobicContact CG-CE3 4.46Å; P450-W464 HydrophobicContact CG-CZ3 3.93Å; D451-W464 HydrophobicContact CB-CH2 4.03Å; D451-W464 HydrophobicContact CB-CZ3 4.36Å; R462-W464 PolarHBondContact O-N 2.84Å; R462-W464 VanDerWaalsContact O-N 3.08Å; W464-A467 PolarHBondContact O-N 2.68Å; W464-Q468 HydrophobicContact CE3-CG 4.2Å; W464-Q468 WeakPolarHBondContact O-CG 3.43Å; W464-Q468 PolarHBondContact O-N 2.74Å
465R85Confident82.3Confident53 Ų5359.7 Ų59.720%0.228%0.279CS..Hα-helixtrans-69.3-39.5174.5-74.2-163.9170.4138.7-1.9111.4D451 D457 R462 A467 Q468 A469D451-R465 IonicContact OD2-CZ 3.73Å; D451-R465 IonicContact OD2-NE 3.98Å; D451-R465 IonicContact OD2-NH2 3.79Å; D451-R465 PolarHBondContact OD2-NH2 3.13Å; D457-R465 HydrophobicContact CB-CB 4.33Å; R462-R465 HydrophobicContact CB-CB 4.22Å; R462-R465 HydrophobicContact CB-CG 4.22Å; R462-R465 WeakPolarHBondContact O-CB 3.48Å; R462-R465 PolarHBondContact O-N 3.02Å; R465-A467 VanDerWaalsContact C-N 3.31Å; R465-A467 PolarHBondContact O-N 3.14Å; R465-Q468 PolarHBondContact O-N 2.8Å; R465-A469 VanDerWaalsContact O-CB 3.28Å; R465-A469 WeakPolarHBondContact O-CB 3.39Å; R465-A469 PolarHBondContact O-N 3.07Å
466A85Confident82.7Confident8 Ų860.4 Ų60.47%0.06628%0.282CS..Hα-helixtrans-59.2-43.5173.100000111.5V404 D457 I458 R462 K463 I470V404-A466 HydrophobicContact CG1-CB 4.41Å; D457-A466 WeakPolarHBondContact O-CA 3.48Å; I458-A466 WeakPolarHBondContact O-CB 3.26Å; R462-A466 PolarHBondContact O-N 2.88Å; R462-A466 VanDerWaalsContact O-N 3.15Å; K463-A466 PolarHBondContact O-N 3.5Å; A466-I470 WeakPolarHBondContact O-CD1 3.41Å; A466-I470 WeakPolarHBondContact O-CG1 3.23Å; A466-I470 PolarHBondContact O-N 3.12Å
467A87.3Confident83Confident2 Ų257.6 Ų57.62%0.01727%0.265CS..Hα-helixtrans-61.9-51.8175.600000112.1V404 T407 V408 K463 W464 R465 A469 I470 V471V404-A467 HydrophobicContact CG1-CB 4.21Å; T407-A467 HydrophobicContact CG2-CB 4.08Å; V408-A467 HydrophobicContact CG2-CB 4.11Å; K463-A467 PolarHBondContact O-N 2.82Å; W464-A467 PolarHBondContact O-N 2.68Å; R465-A467 VanDerWaalsContact C-N 3.31Å; R465-A467 PolarHBondContact O-N 3.14Å; A467-A469 PolarHBondContact O-N 3.14Å; A467-I470 PolarHBondContact O-N 3.33Å; A467-V471 VanDerWaalsContact O-CG2 3.32Å; A467-V471 WeakPolarHBondContact O-CG2 3.33Å; A467-V471 PolarHBondContact O-N 2.95Å
468Q87.2Confident82.8Confident9 Ų956.3 Ų56.34%0.04226%0.258CS..Hα-helixtrans-59.6-43.3178.7-70.1-65.9-57.800111.9E411 H447 V453 W464 R465 I470 V471 D472E411-Q468 PolarHBondContact OE1-NE2 3.22Å; E411-Q468 PolarHBondContact OE2-NE2 3.09Å; H447-Q468 PolarHBondContact NE2-NE2 2.82Å; H447-Q468 PolarHBondContact NE2-OE1 2.76Å; V453-Q468 HydrophobicContact CB-CB 4.47Å; V453-Q468 HydrophobicContact CG2-CB 3.97Å; W464-Q468 HydrophobicContact CE3-CG 4.2Å; W464-Q468 WeakPolarHBondContact O-CG 3.43Å; W464-Q468 PolarHBondContact O-N 2.74Å; R465-Q468 PolarHBondContact O-N 2.8Å; Q468-I470 VanDerWaalsContact C-N 3.28Å; Q468-I470 PolarHBondContact O-N 3.25Å; Q468-V471 CarbonylContact O-C 3.54Å; Q468-V471 PolarHBondContact O-N 3.42Å; Q468-D472 WeakPolarHBondContact O-CB 3.16Å; Q468-D472 PolarHBondContact O-N 2.99Å
469A85.9Confident82.2Confident1 Ų156.3 Ų56.31%0.00826%0.26CS..Hα-helixtrans-60.1-37.5177.700000112.8V453 D457 I458 R465 A467 S473V453-A469 HydrophobicContact CG1-CB 3.56Å; D457-A469 HydrophobicContact CB-CB 4.05Å; I458-A469 HydrophobicContact CB-CB 4.34Å; I458-A469 HydrophobicContact CG1-CB 3.49Å; I458-A469 VanDerWaalsContact CG1-CB 3.49Å; R465-A469 VanDerWaalsContact O-CB 3.28Å; R465-A469 WeakPolarHBondContact O-CB 3.39Å; R465-A469 PolarHBondContact O-N 3.07Å; A467-A469 PolarHBondContact O-N 3.14Å; A469-S473 VanDerWaalsContact O-CB 3.29Å; A469-S473 WeakPolarHBondContact O-CB 3.45Å; A469-S473 PolarHBondContact O-N 3.47Å; A469-S473 PolarHBondContact O-OG 3.22Å
470I88Confident81.3Confident2 Ų256.7 Ų56.71%0.0126%0.26CS..Hα-helixtrans-68.3-41.3175.6-67.4163.6000110.5L391 I394 L395 T400 V404 V408 I458 A466 A467 Q468 F474L391-I470 HydrophobicContact CD2-CG2 4.1Å; I394-I470 HydrophobicContact CG2-CG1 4.5Å; I394-I470 HydrophobicContact CG2-CG2 4.05Å; L395-I470 HydrophobicContact CD2-CD1 4.05Å; T400-I470 HydrophobicContact CG2-CD1 4.16Å; V404-I470 HydrophobicContact CG1-CD1 4.17Å; V408-I470 HydrophobicContact CB-CG2 4.44Å; V408-I470 HydrophobicContact CG1-CG2 3.65Å; V408-I470 HydrophobicContact CG2-CB 3.94Å; V408-I470 HydrophobicContact CG2-CD1 4.04Å; V408-I470 HydrophobicContact CG2-CG2 3.85Å; I458-I470 HydrophobicContact CG1-CG1 4.41Å; I458-I470 HydrophobicContact CG2-CD1 4.39Å; I458-I470 HydrophobicContact CG2-CG1 3.92Å; A466-I470 WeakPolarHBondContact O-CD1 3.41Å; A466-I470 WeakPolarHBondContact O-CG1 3.23Å; A466-I470 PolarHBondContact O-N 3.12Å; A467-I470 PolarHBondContact O-N 3.33Å; Q468-I470 VanDerWaalsContact C-N 3.28Å; Q468-I470 PolarHBondContact O-N 3.25Å; I470-F474 VanDerWaalsContact O-CB 3.32Å; I470-F474 WeakPolarHBondContact O-CB 3.36Å; I470-F474 PolarHBondContact O-N 3.2Å
471V87.6Confident80.1Confident7 Ų763.9 Ų63.94%0.04228%0.282CS..Hα-helixtrans-69.1-41.9-179.7173.10000111.4V408 E411 L415 A467 Q468 F474 L475V408-V471 HydrophobicContact CG2-CG2 4.35Å; E411-V471 HydrophobicContact CB-CG1 4.13Å; E411-V471 HydrophobicContact CB-CG2 3.65Å; E411-V471 HydrophobicContact CG-CG2 4.42Å; E411-V471 WeakPolarHBondContact OE2-CG2 3.49Å; L415-V471 HydrophobicContact CD1-CG1 3.54Å; L415-V471 HydrophobicContact CG-CG1 4.48Å; A467-V471 VanDerWaalsContact O-CG2 3.32Å; A467-V471 WeakPolarHBondContact O-CG2 3.33Å; A467-V471 PolarHBondContact O-N 2.95Å; Q468-V471 CarbonylContact O-C 3.54Å; Q468-V471 PolarHBondContact O-N 3.42Å; V471-F474 CarbonylContact O-C 3.59Å; V471-F474 WeakPolarHBondContact O-CA 3.06Å; V471-F474 VanDerWaalsContact O-CB 3.32Å; V471-F474 WeakPolarHBondContact O-CB 3.47Å; V471-F474 PolarHBondContact O-N 3.33Å; V471-F474 VanDerWaalsContact O-N 3.15Å; V471-L475 PolarHBondContact O-N 3.34Å
472D85.8Confident78.7Confident38 Ų3853.9 Ų53.920%0.20325%0.249CC..Hα-helixtrans-63.6-46.2174.3-70.7-24.6000110.8Q468 F474 L475 E476Q468-D472 WeakPolarHBondContact O-CB 3.16Å; Q468-D472 PolarHBondContact O-N 2.99Å; D472-F474 PolarHBondContact O-N 2.89Å; D472-L475 PolarHBondContact O-N 2.94Å; D472-L475 VanDerWaalsContact O-N 3.1Å; D472-E476 PolarHBondContact O-N 3.33Å
473S85.4Confident76.4Confident4 Ų455.7 Ų55.73%0.02826%0.256CS..Hα-helixtrans-59.9-33.6173.4-62.50000112.4A469 K477A469-S473 VanDerWaalsContact O-CB 3.29Å; A469-S473 WeakPolarHBondContact O-CB 3.45Å; A469-S473 PolarHBondContact O-N 3.47Å; A469-S473 PolarHBondContact O-OG 3.22Å; S473-K477 WeakPolarHBondContact O-CB 3.22Å; S473-K477 WeakPolarHBondContact O-CG 3.34Å; S473-K477 PolarHBondContact O-N 3.15Å
474F87.1Confident74.2Confident4 Ų458.2 Ų58.22%0.01828%0.284CS..Hα-helixtrans-68.8-46.4174.7179-88.8000110.9A387 A390 L391 I394 V412 L415 I470 V471 D472 E476 K477 M478A387-F474 HydrophobicContact CB-CE2 4.08Å; A387-F474 HydrophobicContact CB-CZ 3.99Å; A390-F474 HydrophobicContact CB-CD2 3.87Å; A390-F474 HydrophobicContact CB-CE2 3.78Å; L391-F474 HydrophobicContact CD2-CD2 3.98Å; L391-F474 HydrophobicContact CG-CD2 3.98Å; L391-F474 HydrophobicContact CG-CE2 4.14Å; I394-F474 VanDerWaalsContact CD1-CA 3.44Å; I394-F474 HydrophobicContact CD1-CB 3.7Å; I394-F474 HydrophobicContact CD1-CD2 4.12Å; I394-F474 HydrophobicContact CD1-CG 4.41Å; V412-F474 HydrophobicContact CB-CE1 4.42Å; V412-F474 HydrophobicContact CB-CZ 4.49Å; V412-F474 HydrophobicContact CG1-CD1 4.42Å; V412-F474 HydrophobicContact CG1-CE1 3.77Å; V412-F474 HydrophobicContact CG1-CE2 3.91Å; V412-F474 HydrophobicContact CG1-CZ 3.47Å; V412-F474 VanDerWaalsContact CG1-CZ 3.47Å; V412-F474 HydrophobicContact CG2-CD1 3.95Å; V412-F474 HydrophobicContact CG2-CD2 4.12Å; V412-F474 HydrophobicContact CG2-CE1 4.14Å; V412-F474 HydrophobicContact CG2-CE2 4.29Å; V412-F474 HydrophobicContact CG2-CG 3.94Å; V412-F474 HydrophobicContact CG2-CZ 4.3Å; L415-F474 HydrophobicContact CD1-CD1 4.19Å; I470-F474 VanDerWaalsContact O-CB 3.32Å; I470-F474 WeakPolarHBondContact O-CB 3.36Å; I470-F474 PolarHBondContact O-N 3.2Å; V471-F474 CarbonylContact O-C 3.59Å; V471-F474 WeakPolarHBondContact O-CA 3.06Å; V471-F474 VanDerWaalsContact O-CB 3.32Å; V471-F474 WeakPolarHBondContact O-CB 3.47Å; V471-F474 PolarHBondContact O-N 3.33Å; V471-F474 VanDerWaalsContact O-N 3.15Å; D472-F474 PolarHBondContact O-N 2.89Å; F474-E476 PolarHBondContact O-N 3.4Å; F474-K477 PolarHBondContact O-N 3.45Å; F474-M478 HydrophobicContact CD1-CG 4.12Å; F474-M478 HydrophobicContact CD2-CG 4.34Å; F474-M478 HydrophobicContact CE1-CB 4.35Å; F474-M478 HydrophobicContact CE1-CE 4.45Å; F474-M478 HydrophobicContact CE1-CG 3.74Å; F474-M478 HydrophobicContact CE2-CG 4Å; F474-M478 HydrophobicContact CG-CG 4.4Å; F474-M478 HydrophobicContact CZ-CE 3.98Å; F474-M478 HydrophobicContact CZ-CG 3.68Å; F474-M478 HydrophobicContact CZ-SD 4.38Å; F474-M478 VanDerWaalsContact O-CB 3.24Å; F474-M478 WeakPolarHBondContact O-CB 3.31Å; F474-M478 WeakPolarHBondContact O-CG 3.44Å; F474-M478 PolarHBondContact O-N 3.33Å
475L82.2Confident73.7Confident62 Ų6255.7 Ų55.733%0.32528%0.277SS..Hα-helixtrans-61.6-42.8177.6-17562.3000111.2L415 V471 D472 M478 A479L415-L475 HydrophobicContact CD1-CB 4.37Å; L415-L475 HydrophobicContact CD2-CD1 4.33Å; V471-L475 PolarHBondContact O-N 3.34Å; D472-L475 PolarHBondContact O-N 2.94Å; D472-L475 VanDerWaalsContact O-N 3.1Å; L475-M478 CarbonylContact O-C 3.59Å; L475-M478 PolarHBondContact O-N 3.34Å; L475-A479 WeakPolarHBondContact O-CA 3.41Å; L475-A479 WeakPolarHBondContact O-CB 3.41Å; L475-A479 PolarHBondContact O-N 3.42Å
476E81Confident73.1Confident135 Ų13555.8 Ų55.863%0.63128%0.281SS*.Hα-helixtrans-62.8-44.1175.9-73.7-175.7173.100112.6D472 F474 M478 A479 P480D472-E476 PolarHBondContact O-N 3.33Å; F474-E476 PolarHBondContact O-N 3.4Å; E476-M478 VanDerWaalsContact C-N 3.33Å; E476-M478 PolarHBondContact O-N 2.83Å; E476-A479 PolarHBondContact O-N 3.11Å; E476-P480 VanDerWaalsContact O-CD 3.24Å; E476-P480 WeakPolarHBondContact O-CD 3.44Å
477K80.7Confident72.5Confident82 Ų8258.4 Ų58.436%0.35729%0.293SS..Hα-helixtrans-72-28.3178.9-75.2174.3-177167.20113.1I394 S473 F474I394-K477 HydrophobicContact CD1-CD 4.15Å; I394-K477 HydrophobicContact CG1-CD 3.67Å; S473-K477 WeakPolarHBondContact O-CB 3.22Å; S473-K477 WeakPolarHBondContact O-CG 3.34Å; S473-K477 PolarHBondContact O-N 3.15Å; F474-K477 PolarHBondContact O-N 3.45Å
478M75.1Confident71.6Confident10 Ų1061.8 Ų61.85%0.04931%0.31CS..Hα-helixtrans-90.5-17.7176.6-71.6-74-83.400112.3A390 L416 F474 L475 E476 P480 R481 V482A390-M478 HydrophobicContact CB-CG 4.37Å; A390-M478 HydrophobicContact CB-SD 4.38Å; L416-M478 HydrophobicContact CD2-CE 3.93Å; F474-M478 HydrophobicContact CD1-CG 4.12Å; F474-M478 HydrophobicContact CD2-CG 4.34Å; F474-M478 HydrophobicContact CE1-CB 4.35Å; F474-M478 HydrophobicContact CE1-CE 4.45Å; F474-M478 HydrophobicContact CE1-CG 3.74Å; F474-M478 HydrophobicContact CE2-CG 4Å; F474-M478 HydrophobicContact CG-CG 4.4Å; F474-M478 HydrophobicContact CZ-CE 3.98Å; F474-M478 HydrophobicContact CZ-CG 3.68Å; F474-M478 HydrophobicContact CZ-SD 4.38Å; F474-M478 VanDerWaalsContact O-CB 3.24Å; F474-M478 WeakPolarHBondContact O-CB 3.31Å; F474-M478 WeakPolarHBondContact O-CG 3.44Å; F474-M478 PolarHBondContact O-N 3.33Å; L475-M478 CarbonylContact O-C 3.59Å; L475-M478 PolarHBondContact O-N 3.34Å; E476-M478 VanDerWaalsContact C-N 3.33Å; E476-M478 PolarHBondContact O-N 2.83Å; M478-P480 VanDerWaalsContact C-CD 3.47Å; M478-P480 VanDerWaalsContact C-N 3.34Å; M478-R481 CarbonylContact O-C 3.48Å; M478-R481 VanDerWaalsContact O-C 3.32Å; M478-R481 VanDerWaalsContact O-CA 3.27Å; M478-R481 WeakPolarHBondContact O-CA 3.47Å; M478-R481 WeakPolarHBondContact O-CB 3.47Å; M478-R481 PolarHBondContact O-N 3.12Å; M478-V482 HydrophobicContact CB-CB 4.5Å; M478-V482 HydrophobicContact CB-CG2 3.84Å; M478-V482 HydrophobicContact CE-CG2 4.09Å; M478-V482 VanDerWaalsContact O-CB 3.32Å; M478-V482 WeakPolarHBondContact O-CB 3.45Å; M478-V482 WeakPolarHBondContact O-CG2 3.48Å; M478-V482 PolarHBondContact O-N 3.31Å
479A62.5Low70.6Confident17 Ų1765.1 Ų65.114%0.1433%0.326CS..Hα-helixtrans-55.5-39.5-179.800000113L475 E476 R481 V482 R483L475-A479 WeakPolarHBondContact O-CA 3.41Å; L475-A479 WeakPolarHBondContact O-CB 3.41Å; L475-A479 PolarHBondContact O-N 3.42Å; E476-A479 PolarHBondContact O-N 3.11Å; A479-R481 PolarHBondContact O-N 3.28Å; A479-V482 PolarHBondContact O-N 2.85Å; A479-R483 HydrophobicContact CB-CG 4.21Å; A479-R483 WeakPolarHBondContact O-CA 3.46Å; A479-R483 VanDerWaalsContact O-CB 3.29Å; A479-R483 WeakPolarHBondContact O-CB 3.45Å; A479-R483 PolarHBondContact O-N 3.12Å
480P55.9Low69.6Low113 Ų11369.3 Ų69.373%0.73435%0.348SS*.Hα-helixtrans-63.7-8.7171.7-20.231.2000114.7E476 M478E476-P480 VanDerWaalsContact O-CD 3.24Å; E476-P480 WeakPolarHBondContact O-CD 3.44Å; M478-P480 VanDerWaalsContact C-CD 3.47Å; M478-P480 VanDerWaalsContact C-N 3.34Å
481R50.8Low68.3Low182 Ų18274.1 Ų74.169%0.68737%0.372SS*.Hα-helixtrans-121.2-10.7-179.9-62.6-178.2175.1179.6-0.4113.5M478 A479M478-R481 CarbonylContact O-C 3.48Å; M478-R481 VanDerWaalsContact O-C 3.32Å; M478-R481 VanDerWaalsContact O-CA 3.27Å; M478-R481 WeakPolarHBondContact O-CA 3.47Å; M478-R481 WeakPolarHBondContact O-CB 3.47Å; M478-R481 PolarHBondContact O-N 3.12Å; A479-R481 PolarHBondContact O-N 3.28Å
482V49.6Very low66.8Low40 Ų4079.3 Ų79.324%0.24240%0.397CS..Hα-helixtrans-126.2-24.6-171.2177.80000111.6M478 A479M478-V482 HydrophobicContact CB-CB 4.5Å; M478-V482 HydrophobicContact CB-CG2 3.84Å; M478-V482 HydrophobicContact CE-CG2 4.09Å; M478-V482 VanDerWaalsContact O-CB 3.32Å; M478-V482 WeakPolarHBondContact O-CB 3.45Å; M478-V482 WeakPolarHBondContact O-CG2 3.48Å; M478-V482 PolarHBondContact O-N 3.31Å; A479-V482 PolarHBondContact O-N 2.85Å
483R33.3Very low65.2Low179 Ų17982.8 Ų82.868%0.67541%0.413SS*.  trans-84.7144.9156.6-65.3-169.2-164.6-165.55.3108.7A479A479-R483 HydrophobicContact CB-CG 4.21Å; A479-R483 WeakPolarHBondContact O-CA 3.46Å; A479-R483 VanDerWaalsContact O-CB 3.29Å; A479-R483 WeakPolarHBondContact O-CB 3.45Å; A479-R483 PolarHBondContact O-N 3.12Å
484P39.1Very low63.4Low165 Ų16589.9 Ų89.9100%1.07145%0.448SS*.  trans-57.10-179.224.2-34.6000113.5I424I424-P484 HydrophobicContact CD1-CB 3.84Å; I424-P484 VanDerWaalsContact CD1-CD 3.49Å; I424-P484 HydrophobicContact CD1-CG 3.45Å; I424-P484 VanDerWaalsContact CD1-CG 3.45Å

Retrieved 484 of 484 residues in 143.4 ms (Link to these results)