A0A5K4F4B2_SCHMA Loading...

Putative nachr subunit

AlphaFold DB , UniProt , Accession A0A5K4F4B2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 613 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
1M59.3Low66.1Low210 Ų210134.6 Ų134.6100%1.03465%0.647SS**  0-34.20-84.6165.366.400114.5K3 L4M1-K3 PolarHBondContact O-N 2.99Å; M1-L4 PolarHBondContact O-N 3.13Å
2N64.5Low65.9Low128 Ų128132.5 Ų132.568%0.68464%0.641SS**Hα-helixtrans-65.6-25.6-175.6-72.52.7000116.8
3K63.4Low65.9Low186 Ų186131.2 Ų131.281%0.80965%0.646SS**Hα-helixtrans-71.8-28.9179.5-72.2-170.8176.9-174.50114.2M1 I7M1-K3 PolarHBondContact O-N 2.99Å; K3-I7 WeakPolarHBondContact O-CG1 3.12Å; K3-I7 PolarHBondContact O-N 2.98Å
4L65.9Low65.7Low116 Ų116133.6 Ų133.661%0.60765%0.651SS**Hα-helixtrans-72.8-31177.6-96.7139.5000112.2M1 I7 W8M1-L4 PolarHBondContact O-N 3.13Å; L4-I7 PolarHBondContact O-N 3.26Å; L4-W8 PolarHBondContact O-N 3.14Å; L4-W8 VanDerWaalsContact O-N 3.14Å
5L67.8Low65.7Low109 Ų109132.7 Ų132.757%0.57165%0.649SS**Hα-helixtrans-67.3-36.7177.8-118.2147.5000112.2W8 L9L5-W8 PolarHBondContact O-N 3.32Å; L5-L9 HydrophobicContact CD2-CD1 4.49Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 3.4Å
6W69.2Low65.5Low179 Ų179131 Ų13168%0.67865%0.651SS**Hα-helixtrans-68.2-35.2174-80.595.2000112.9L9 I10W6-L9 PolarHBondContact O-N 2.85Å; W6-I10 WeakPolarHBondContact O-CB 3.22Å; W6-I10 WeakPolarHBondContact O-CD1 3.4Å; W6-I10 VanDerWaalsContact O-CG1 3.22Å; W6-I10 WeakPolarHBondContact O-CG1 3.17Å; W6-I10 PolarHBondContact O-N 2.96Å
7I70.2Confident65.4Low100 Ų100133.7 Ų133.751%0.51366%0.661SS.*Hα-helixtrans-67.6-41176.5-63.1167.5000110.4K3 L4 I10 C11K3-I7 WeakPolarHBondContact O-CG1 3.12Å; K3-I7 PolarHBondContact O-N 2.98Å; L4-I7 PolarHBondContact O-N 3.26Å; I7-I10 PolarHBondContact O-N 2.84Å; I7-C11 WeakPolarHBondContact O-CB 3.31Å; I7-C11 PolarHBondContact O-N 2.97Å; I7-C11 PolarHBondContact O-SG 3.23Å
8W68.5Low65.6Low180 Ų180136.4 Ų136.468%0.68267%0.672SS**Hα-helixtrans-65.7-38.3173.8-87.985.1000113L4 L5 C11 L12L4-W8 PolarHBondContact O-N 3.14Å; L4-W8 VanDerWaalsContact O-N 3.14Å; L5-W8 PolarHBondContact O-N 3.32Å; W8-C11 PolarHBondContact O-N 3.38Å; W8-L12 WeakPolarHBondContact O-CB 3.2Å; W8-L12 PolarHBondContact O-N 3.29Å
9L66.7Low66Low93 Ų93135.7 Ų135.749%0.48768%0.675SS.*Hα-helixtrans-66.1-39.6174.2-100.8150.7000112.3L5 W6 L12 V13L5-L9 HydrophobicContact CD2-CD1 4.49Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 3.4Å; W6-L9 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 2.77Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.3Å; L9-V13 PolarHBondContact O-N 2.8Å; L9-V13 VanDerWaalsContact O-N 3.13Å
10I67.3Low66.7Low98 Ų98136.6 Ų136.650%0.50368%0.681SS.*Hα-helixtrans-68.3-37.4175.6-67.9164.2000110.8W6 I7 V13 F14W6-I10 WeakPolarHBondContact O-CB 3.22Å; W6-I10 WeakPolarHBondContact O-CD1 3.4Å; W6-I10 VanDerWaalsContact O-CG1 3.22Å; W6-I10 WeakPolarHBondContact O-CG1 3.17Å; W6-I10 PolarHBondContact O-N 2.96Å; I7-I10 PolarHBondContact O-N 2.84Å; I10-V13 PolarHBondContact O-N 3.32Å; I10-F14 PolarHBondContact O-N 2.84Å
11C64.5Low67.5Low82 Ų82133.6 Ų133.655%0.55467%0.671SS**Hα-helixtrans-69.1-32.1174.5-75.70000113.4I7 W8 F14I7-C11 WeakPolarHBondContact O-CB 3.31Å; I7-C11 PolarHBondContact O-N 2.97Å; I7-C11 PolarHBondContact O-SG 3.23Å; W8-C11 PolarHBondContact O-N 3.38Å; C11-F14 PolarHBondContact O-N 3.33Å
12L63.5Low69.1Low109 Ų109126.8 Ų126.857%0.57164%0.644SS**Hα-helixtrans-73.6-25.8174.4-83.1162000113.1W8 L9 F14 I15W8-L12 WeakPolarHBondContact O-CB 3.2Å; W8-L12 PolarHBondContact O-N 3.29Å; L9-L12 PolarHBondContact O-N 2.77Å; L12-F14 VanDerWaalsContact C-N 3.26Å; L12-I15 HydrophobicContact CD2-CD1 4.25Å; L12-I15 WeakPolarHBondContact O-CG1 3.46Å
13V65.4Low70.4Confident116 Ų116122.1 Ų122.170%0.70362%0.622SS**Hα-helixtrans-74.6-19.5173.1173.30000111.8L9 I10L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.3Å; L9-V13 PolarHBondContact O-N 2.8Å; L9-V13 VanDerWaalsContact O-N 3.13Å; I10-V13 PolarHBondContact O-N 3.32Å
14F63.4Low71.9Confident164 Ų164117.5 Ų117.572%0.71960%0.603SS**THydrogen-bonded Turntrans-102.640.2175.4-85.4-83.7000113I10 C11 L12 P16I10-F14 PolarHBondContact O-N 2.84Å; C11-F14 PolarHBondContact O-N 3.33Å; L12-F14 VanDerWaalsContact C-N 3.26Å; F14-P16 WeakPolarHBondContact O-CD 3.45Å
15I65.3Low73.2Confident121 Ų121118.7 Ų118.762%0.62160%0.604SS**  trans-69.7111.1161-61.7168.4000106.2L12 E17L12-I15 HydrophobicContact CD2-CD1 4.25Å; L12-I15 WeakPolarHBondContact O-CG1 3.46Å; I15-E17 PolarHBondContact O-N 3.19Å
16P63.4Low74.4Confident105 Ų105119.9 Ų119.968%0.68260%0.6SS**  trans-61.8116174.726.1-31.5000107.5F14 H18F14-P16 WeakPolarHBondContact O-CD 3.45Å; P16-H18 PolarHBondContact O-N 3.26Å
17E64Low75.6Confident177 Ų177111.4 Ų111.483%0.82757%0.568SS**  trans-56.2110.7174.4-155.5169.3-154.700107.5I15 V19I15-E17 PolarHBondContact O-N 3.19Å; E17-V19 VanDerWaalsContact C-N 3.31Å; E17-V19 PolarHBondContact O-N 3.11Å
18H67.6Low76.8Confident183 Ų183108.4 Ų108.485%0.84755%0.553SS**  trans-70.790.6-176.5-123.2-65000108.2P16 I20P16-H18 PolarHBondContact O-N 3.26Å; H18-I20 PolarHBondContact O-N 2.83Å; H18-I20 VanDerWaalsContact O-N 3.08Å
19V74.6Confident78Confident122 Ų122106.4 Ų106.474%0.73955%0.549SS*.  trans-68.7107.7179.1-176.50000109.1E17E17-V19 VanDerWaalsContact C-N 3.31Å; E17-V19 PolarHBondContact O-N 3.11Å
20I80.1Confident79.4Confident153 Ų153106 Ų10679%0.78555%0.545SS*.PPolyproline II helixtrans-69.1120.4172.7-58.4172.4000107.7H18H18-I20 PolarHBondContact O-N 2.83Å; H18-I20 VanDerWaalsContact O-N 3.08Å
21P83.5Confident80.7Confident74 Ų74101.9 Ų101.948%0.48152%0.523SS..PPolyproline II helixtrans-66.2147.3-179.427.4-33.8000111.1K25P21-K25 HydrophobicContact CB-CB 4.27Å; P21-K25 HydrophobicContact CB-CD 4.21Å; P21-K25 HydrophobicContact CB-CG 4.33Å
22S91.1Very high82.2Confident67 Ų67100 Ų10047%0.46951%0.508SS..PPolyproline II helixtrans-58.2154172.166.20000111.2E24 K25 R26S22-E24 PolarHBondContact O-N 3.28Å; S22-K25 PolarHBondContact O-N 3.24Å; S22-K25 WeakPolarHBondContact OG-CB 3.43Å; S22-K25 PolarHBondContact OG-N 2.87Å; S22-K25 VanDerWaalsContact OG-N 3.16Å; S22-R26 PolarHBondContact O-N 3.02Å
23S92.7Very high83.7Confident31 Ų3197.8 Ų97.822%0.21750%0.496CS..Hα-helixtrans-56.4-36.3175.947.20000111.9R26 L27 S96S23-R26 PolarHBondContact O-N 3.34Å; S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 PolarHBondContact O-N 3.04Å; S23-S96 WeakPolarHBondContact CB-OG 3.38Å; S23-S96 PolarHBondContact OG-OG 2.94Å; S23-S96 VanDerWaalsContact OG-OG 3.08Å
24E94.2Very high85Confident88 Ų8896 Ų9641%0.41148%0.483SS..Hα-helixtrans-61.4-49.3172.6-169.6-175.5-179.500112.3S22 R26 L27 I28 I98S22-E24 PolarHBondContact O-N 3.28Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.03Å; E24-L27 WeakPolarHBondContact O-CB 3.3Å; E24-L27 PolarHBondContact O-N 3.41Å; E24-L27 VanDerWaalsContact O-N 3.15Å; E24-I28 HydrophobicContact CG-CD1 3.9Å; E24-I28 HydrophobicContact CG-CG1 4.47Å; E24-I28 WeakPolarHBondContact O-CG1 2.97Å; E24-I28 PolarHBondContact O-N 3.34Å; E24-I98 VanDerWaalsContact CA-CD1 3.47Å; E24-I98 HydrophobicContact CB-CD1 3.62Å; E24-I98 HydrophobicContact CG-CD1 4.29Å
25K93.1Very high86.5Confident142 Ų14288.4 Ų88.462%0.61745%0.449SS*.Hα-helixtrans-63.3-36.8179.9-172.6169.5-1751740111.5P21 S22 K29P21-K25 HydrophobicContact CB-CB 4.27Å; P21-K25 HydrophobicContact CB-CD 4.21Å; P21-K25 HydrophobicContact CB-CG 4.33Å; S22-K25 PolarHBondContact O-N 3.24Å; S22-K25 WeakPolarHBondContact OG-CB 3.43Å; S22-K25 PolarHBondContact OG-N 2.87Å; S22-K25 VanDerWaalsContact OG-N 3.16Å; K25-K29 VanDerWaalsContact O-CB 3.29Å; K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 PolarHBondContact O-N 3.43Å; K25-K29 VanDerWaalsContact O-N 3.08Å
26R93.6Very high87.8Confident134 Ų13489.4 Ų89.451%0.50645%0.451SS..Hα-helixtrans-64.5-45.3173.5-173.5175.668.6-165.63.2111.5S22 S23 E24 Q30S22-R26 PolarHBondContact O-N 3.02Å; S23-R26 PolarHBondContact O-N 3.34Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.03Å; R26-Q30 WeakPolarHBondContact O-CB 3.47Å; R26-Q30 PolarHBondContact O-N 3.4Å
27L95.5Very high89.2Confident1 Ų192.6 Ų92.61%0.00546%0.455CS..Hα-helixtrans-60.1-53.8176.9172.959.1000111.5S23 E24 K29 Q30 L31 W90 Y95 I98 V101S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 PolarHBondContact O-N 3.04Å; E24-L27 WeakPolarHBondContact O-CB 3.3Å; E24-L27 PolarHBondContact O-N 3.41Å; E24-L27 VanDerWaalsContact O-N 3.15Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.1Å; L27-Q30 PolarHBondContact O-N 2.89Å; L27-L31 HydrophobicContact CD1-CD1 3.82Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 3.89Å; L27-L31 HydrophobicContact CG-CD1 3.97Å; L27-L31 HydrophobicContact CG-CG 4.42Å; L27-L31 WeakPolarHBondContact O-CG 3.49Å; L27-L31 PolarHBondContact O-N 3.48Å; L27-W90 HydrophobicContact CD1-CB 3.9Å; L27-W90 HydrophobicContact CD1-CD2 4.02Å; L27-W90 HydrophobicContact CD1-CG 3.67Å; L27-W90 HydrophobicContact CD2-CD2 4.1Å; L27-W90 HydrophobicContact CD2-CG 4.2Å; L27-W90 HydrophobicContact CD2-CZ2 4.15Å; L27-Y95 HydrophobicContact CB-CD1 3.61Å; L27-Y95 HydrophobicContact CB-CE1 3.94Å; L27-Y95 HydrophobicContact CB-CG 3.98Å; L27-Y95 HydrophobicContact CD1-CD1 4.2Å; L27-Y95 HydrophobicContact CD1-CD2 3.83Å; L27-Y95 HydrophobicContact CD1-CE1 4.11Å; L27-Y95 HydrophobicContact CD1-CE2 3.73Å; L27-Y95 HydrophobicContact CD1-CG 4.05Å; L27-Y95 HydrophobicContact CD2-CG 4.26Å; L27-Y95 HydrophobicContact CG-CD1 4.37Å; L27-Y95 HydrophobicContact CG-CG 4.32Å; L27-I98 HydrophobicContact CD2-CB 4.36Å; L27-I98 HydrophobicContact CD2-CG2 4.01Å; L27-V101 HydrophobicContact CD2-CG1 3.62Å; L27-V101 HydrophobicContact CG-CG1 4.29Å
28I95Very high90.5Very high36 Ų3687.2 Ų87.219%0.18544%0.44CS..Hα-helixtrans-59.3-45-178.4-68.2172.2000110.5E24 Q30 L31 I32 V101E24-I28 HydrophobicContact CG-CD1 3.9Å; E24-I28 HydrophobicContact CG-CG1 4.47Å; E24-I28 WeakPolarHBondContact O-CG1 2.97Å; E24-I28 PolarHBondContact O-N 3.34Å; I28-Q30 PolarHBondContact O-N 3.38Å; I28-L31 PolarHBondContact O-N 3.2Å; I28-I32 HydrophobicContact CG2-CD1 3.69Å; I28-I32 HydrophobicContact CG2-CG1 4.42Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 3.09Å; I28-V101 HydrophobicContact CD1-CB 4.27Å; I28-V101 HydrophobicContact CG1-CB 4Å; I28-V101 HydrophobicContact CG1-CG1 4.08Å
29K94.3Very high91.5Very high138 Ų13880.2 Ų80.260%0.642%0.418SS*.Hα-helixtrans-58.4-48.6176.6-177.1176.7179.1-179.60111.3K25 L27 L31 I32 D33K25-K29 VanDerWaalsContact O-CB 3.29Å; K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 PolarHBondContact O-N 3.43Å; K25-K29 VanDerWaalsContact O-N 3.08Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.1Å; K29-L31 PolarHBondContact O-N 3.38Å; K29-I32 PolarHBondContact O-N 2.81Å; K29-D33 WeakPolarHBondContact O-CB 3.21Å; K29-D33 PolarHBondContact O-N 3.41Å
30Q94.3Very high92.1Very high85 Ų8579.1 Ų79.140%0.39740%0.403SS..Hα-helixtrans-63.2-40.9179.3178.1170.4-23.600112.7R26 L27 I28 N34 Y95R26-Q30 WeakPolarHBondContact O-CB 3.47Å; R26-Q30 PolarHBondContact O-N 3.4Å; L27-Q30 PolarHBondContact O-N 2.89Å; I28-Q30 PolarHBondContact O-N 3.38Å; Q30-N34 VanDerWaalsContact O-CB 3.24Å; Q30-N34 WeakPolarHBondContact O-CB 3.4Å; Q30-N34 PolarHBondContact O-N 3.38Å; Q30-N34 PolarHBondContact O-ND2 2.96Å; Q30-Y95 PolarHBondContact NE2-OH 2.94Å; Q30-Y95 VanDerWaalsContact NE2-OH 3.14Å; Q30-Y95 PolarHBondContact OE1-OH 2.92Å
31L95.6Very high92.4Very high11 Ų1179.8 Ų79.86%0.05841%0.407CS..Hα-helixtrans-61.6-47.7176.7-72.6173.7000111.1L27 I28 K29 N34 Y35 L88 W90 V101 I103L27-L31 HydrophobicContact CD1-CD1 3.82Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 3.89Å; L27-L31 HydrophobicContact CG-CD1 3.97Å; L27-L31 HydrophobicContact CG-CG 4.42Å; L27-L31 WeakPolarHBondContact O-CG 3.49Å; L27-L31 PolarHBondContact O-N 3.48Å; I28-L31 PolarHBondContact O-N 3.2Å; K29-L31 PolarHBondContact O-N 3.38Å; L31-N34 PolarHBondContact O-N 2.85Å; L31-Y35 VanDerWaalsContact O-CB 3.31Å; L31-Y35 WeakPolarHBondContact O-CB 3.49Å; L31-Y35 PolarHBondContact O-N 2.87Å; L31-L88 HydrophobicContact CB-CD2 4.45Å; L31-W90 HydrophobicContact CD1-CD2 4.47Å; L31-W90 HydrophobicContact CD1-CE3 3.83Å; L31-W90 HydrophobicContact CD1-CZ3 4.02Å; L31-W90 HydrophobicContact CD2-CE3 4.22Å; L31-V101 HydrophobicContact CD1-CG2 4.14Å; L31-I103 HydrophobicContact CD1-CD1 4.39Å
32I95.1Very high92.7Very high43 Ų4377.9 Ų77.922%0.22140%0.4CS..Hα-helixtrans-64.2-47.5179.4-66170.1000110.9I28 K29 N34 Y35 E36 V107I28-I32 HydrophobicContact CG2-CD1 3.69Å; I28-I32 HydrophobicContact CG2-CG1 4.42Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 3.09Å; K29-I32 PolarHBondContact O-N 2.81Å; I32-N34 VanDerWaalsContact C-N 3.29Å; I32-N34 PolarHBondContact O-N 3.4Å; I32-Y35 WeakPolarHBondContact O-CB 3.19Å; I32-Y35 PolarHBondContact O-N 3.03Å; I32-Y35 VanDerWaalsContact O-N 3.16Å; I32-E36 WeakPolarHBondContact O-CB 3.25Å; I32-E36 PolarHBondContact O-N 2.8Å; I32-V107 HydrophobicContact CD1-CG2 4.25Å; I32-V107 HydrophobicContact CG1-CG2 4.29Å
33D94.8Very high92.8Very high63 Ų6376.6 Ų76.634%0.33739%0.385SS..Hα-helixtrans-61-39.5179.5-68.5-9.8000111.3K29 K37K29-D33 WeakPolarHBondContact O-CB 3.21Å; K29-D33 PolarHBondContact O-N 3.41Å; D33-K37 VanDerWaalsContact O-CG 3.25Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.07Å; D33-K37 VanDerWaalsContact O-N 3.14Å
34N93.1Very high92.8Very high78 Ų7875.2 Ų75.242%0.41738%0.376SS..Hα-helixtrans-70.1-38.7176.8-72.9-11.3000112Q30 L31 I32 K37 A38Q30-N34 VanDerWaalsContact O-CB 3.24Å; Q30-N34 WeakPolarHBondContact O-CB 3.4Å; Q30-N34 PolarHBondContact O-N 3.38Å; Q30-N34 PolarHBondContact O-ND2 2.96Å; L31-N34 PolarHBondContact O-N 2.85Å; I32-N34 VanDerWaalsContact C-N 3.29Å; I32-N34 PolarHBondContact O-N 3.4Å; N34-K37 PolarHBondContact O-N 2.97Å; N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.39Å
35Y94.9Very high92.8Very high4 Ų472.5 Ų72.52%0.01637%0.365CS..Hα-helixtrans-65.1-43.6177-154.8-87.6000111.4L31 I32 K37 A38 G39 D85 L87 L88 I108 W109L31-Y35 VanDerWaalsContact O-CB 3.31Å; L31-Y35 WeakPolarHBondContact O-CB 3.49Å; L31-Y35 PolarHBondContact O-N 2.87Å; I32-Y35 WeakPolarHBondContact O-CB 3.19Å; I32-Y35 PolarHBondContact O-N 3.03Å; I32-Y35 VanDerWaalsContact O-N 3.16Å; Y35-K37 VanDerWaalsContact C-N 3.35Å; Y35-K37 PolarHBondContact O-N 3.26Å; Y35-A38 PolarHBondContact O-N 3.39Å; Y35-G39 CarbonylContact O-C 3.52Å; Y35-G39 PolarHBondContact O-N 2.96Å; Y35-D85 VanDerWaalsContact CE2-OD2 3.23Å; Y35-D85 WeakPolarHBondContact CE2-OD2 3.33Å; Y35-D85 PolarHBondContact OH-OD2 3.06Å; Y35-L87 HydrophobicContact CD2-CB 3.81Å; Y35-L87 HydrophobicContact CD2-CD1 4.21Å; Y35-L87 HydrophobicContact CE2-CB 3.8Å; Y35-L87 HydrophobicContact CE2-CD1 3.94Å; Y35-L87 HydrophobicContact CE2-CG 4.46Å; Y35-L88 HydrophobicContact CD2-CD2 3.61Å; Y35-L88 HydrophobicContact CD2-CG 3.95Å; Y35-L88 HydrophobicContact CE2-CD1 4.27Å; Y35-L88 HydrophobicContact CE2-CD2 4.03Å; Y35-L88 HydrophobicContact CE2-CG 3.86Å; Y35-I108 HydrophobicContact CD1-CB 4.46Å; Y35-I108 HydrophobicContact CD1-CG2 4.11Å; Y35-I108 HydrophobicContact CD2-CG2 4.25Å; Y35-I108 HydrophobicContact CE1-CB 3.99Å; Y35-I108 HydrophobicContact CE1-CG2 4.12Å; Y35-I108 HydrophobicContact CE2-CB 4.44Å; Y35-I108 HydrophobicContact CE2-CG2 4.23Å; Y35-I108 HydrophobicContact CG-CG2 4.16Å; Y35-W109 VanDerWaalsContact OH-CB 3.24Å; Y35-W109 WeakPolarHBondContact OH-CB 3.39Å; Y35-W109 PolarHBondContact OH-N 3.09Å
36E93.1Very high92.6Very high142 Ų14273.2 Ų73.266%0.66437%0.368SS*.Hα-helixtrans-61.8-42.7176.5-173173.2-165.400111.5I32 A38 G39I32-E36 WeakPolarHBondContact O-CB 3.25Å; I32-E36 PolarHBondContact O-N 2.8Å; E36-A38 PolarHBondContact O-N 3.23Å; E36-G39 PolarHBondContact O-N 3.45Å
37K92.7Very high92.6Very high172 Ų17270.6 Ų70.675%0.74836%0.364SS*.Hα-helixtrans-64.2-36.6174.4-73.4171-173.91730113.4D33 N34 Y35 G39D33-K37 VanDerWaalsContact O-CG 3.25Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.07Å; D33-K37 VanDerWaalsContact O-N 3.14Å; N34-K37 PolarHBondContact O-N 2.97Å; Y35-K37 VanDerWaalsContact C-N 3.35Å; Y35-K37 PolarHBondContact O-N 3.26Å; K37-G39 VanDerWaalsContact C-N 3.26Å
38A91.7Very high92.3Very high64 Ų6476.1 Ų76.153%0.52940%0.398SS..Hα-helixtrans-72.6-23.2176.400000112.4N34 Y35 E36 L87N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.39Å; Y35-A38 PolarHBondContact O-N 3.39Å; E36-A38 PolarHBondContact O-N 3.23Å; A38-L87 HydrophobicContact CB-CD1 4.03Å; A38-L87 HydrophobicContact CB-CD2 4.34Å
39G89.3Confident92.1Very high37 Ų3783.2 Ų83.238%0.38143%0.428SS..  trans104.7119-177.400000111.3Y35 E36 K37Y35-G39 CarbonylContact O-C 3.52Å; Y35-G39 PolarHBondContact O-N 2.96Å; E36-G39 PolarHBondContact O-N 3.45Å; K37-G39 VanDerWaalsContact C-N 3.26Å
40K86.7Confident92.1Very high98 Ų9879.7 Ų79.743%0.42642%0.415SS..SBendtrans-70.7-30.6179.4179.5-177.2163.2-165.10113.4S106K40-S106 WeakPolarHBondContact CE-O 3.23Å; K40-S106 PolarHBondContact NZ-O 3.27Å
41I86.9Confident92.1Very high168 Ų16881.9 Ų81.986%0.86242%0.42SS*.SBendtrans-93.8118.8-173.6-58.9174.6000109.2
42G87.9Confident92.1Very high33 Ų3381.6 Ų81.634%0.3442%0.419SS..SBendtrans132.5162.5178.800000111.9W109G42-W109 VanDerWaalsContact O-CG 3.32Å
43R93.4Very high92.2Very high40 Ų4082.5 Ų82.515%0.15143%0.426CS..  trans-64.2138178.3-64.7-177.2-63.1130.78.3109.9V45 T48 D50 V52 W109 Y174 Q178R43-V45 HydrophobicContact CB-CG2 4.14Å; R43-V45 PolarHBondContact O-N 3.21Å; R43-T48 PolarHBondContact NH2-O 3.31Å; R43-D50 PolarHBondContact NH1-O 3Å; R43-V52 HydrophobicContact CB-CG2 3.91Å; R43-V52 HydrophobicContact CG-CG2 4.34Å; R43-W109 HydrophobicContact CG-CZ2 4.43Å; R43-Y174 HydrophobicContact CG-CD1 4.22Å; R43-Y174 HydrophobicContact CG-CE1 3.54Å; R43-Q178 WeakPolarHBondContact CD-O 3.33Å; R43-Q178 VanDerWaalsContact NH1-CA 3.34Å; R43-Q178 PolarHBondContact NH1-O 3.5Å
44P93.8Very high92.3Very high3 Ų379.5 Ų79.52%0.01941%0.41CS..SBendtrans-78.558.1-176.932.9-38.8000112.7D85 Q86 W109P44-D85 HydrophobicContact CB-CB 4.12Å; P44-D85 WeakPolarHBondContact CB-OD1 3.4Å; P44-D85 VanDerWaalsContact CB-OD2 3.25Å; P44-D85 WeakPolarHBondContact CB-OD2 3.46Å; P44-D85 HydrophobicContact CG-CB 4.37Å; P44-Q86 PolarHBondContact O-N 2.94Å; P44-W109 VanDerWaalsContact CD-CD2 3.49Å; P44-W109 HydrophobicContact CG-CD2 4.2Å; P44-W109 HydrophobicContact CG-CE3 3.6Å; P44-W109 HydrophobicContact CG-CZ3 3.88Å
45V93.1Very high92.5Very high30 Ų3076.1 Ų76.118%0.18239%0.394CS..  trans-118.7142-178.9-63.60000110.4R43 N47 D50 V52R43-V45 HydrophobicContact CB-CG2 4.14Å; R43-V45 PolarHBondContact O-N 3.21Å; V45-N47 WeakPolarHBondContact CG2-O 3.45Å; V45-D50 HydrophobicContact CB-CB 4.24Å; V45-D50 HydrophobicContact CG1-CB 4.21Å; V45-V52 HydrophobicContact CG1-CG2 3.6Å
46K90.2Very high92.7Very high158 Ų15876 Ų7669%0.68739%0.393SS*.SBendtrans-74.9-33.8173.4-73.1174.2-178.7-173.20112.6Q86K46-Q86 VanDerWaalsContact CB-OE1 3.29Å; K46-Q86 HydrophobicContact CG-CB 4.36Å
47N92.1Very high92.8Very high79 Ų7969.8 Ų69.842%0.42237%0.367SS..SBendtrans-114.4131.2179.4-1793.3000109.9V45 K49 D50V45-N47 WeakPolarHBondContact CG2-O 3.45Å; N47-K49 PolarHBondContact O-N 3.48Å; N47-K49 VanDerWaalsContact O-N 3.17Å; N47-K49 PolarHBondContact OD1-N 3.18Å; N47-D50 WeakPolarHBondContact O-CB 3.12Å; N47-D50 PolarHBondContact O-N 3.5Å
48T89.6Confident93.1Very high117 Ų11761.8 Ų61.872%0.71833%0.333SS*.THydrogen-bonded Turntrans-58.9-29.8-178.6-49.20000113.1R43 D50R43-T48 PolarHBondContact NH2-O 3.31Å; T48-D50 VanDerWaalsContact C-N 3.29Å; T48-D50 PolarHBondContact O-N 3.34Å
49K92Very high93.3Very high185 Ų18558.8 Ų58.880%0.80431%0.308SS*.THydrogen-bonded Turntrans-74.7-17178.1-66.3-172.8177.6-176.60113.7N47N47-K49 PolarHBondContact O-N 3.48Å; N47-K49 VanDerWaalsContact O-N 3.17Å; N47-K49 PolarHBondContact OD1-N 3.18Å
50D94.2Very high93.7Very high63 Ų6357.2 Ų57.234%0.33729%0.291SS..PPolyproline II helixtrans-76.1137.3-179.9-63-8.3000109.2R43 V45 N47 T48R43-D50 PolarHBondContact NH1-O 3Å; V45-D50 HydrophobicContact CB-CB 4.24Å; V45-D50 HydrophobicContact CG1-CB 4.21Å; N47-D50 WeakPolarHBondContact O-CB 3.12Å; N47-D50 PolarHBondContact O-N 3.5Å; T48-D50 VanDerWaalsContact C-N 3.29Å; T48-D50 PolarHBondContact O-N 3.34Å
51R94.3Very high94.1Very high132 Ų13256 Ų5650%0.49829%0.286SS..PPolyproline II helixtrans-92.9147.917468.9-172.3-179.51643.9111.3E177 Q178 D180R51-E177 VanDerWaalsContact CB-O 3.31Å; R51-E177 WeakPolarHBondContact CB-O 3.04Å; R51-Q178 WeakPolarHBondContact CA-O 3.27Å; R51-D180 IonicContact CZ-OD2 3.47Å; R51-D180 IonicContact NH1-OD2 3.4Å; R51-D180 PolarHBondContact NH1-OD2 3Å; R51-D180 IonicContact NH2-OD2 3.69Å; R51-D180 PolarHBondContact NH2-OD2 2.92Å
52V95.7Very high94.5Very high5 Ų551.7 Ų51.73%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-88.7120.9172.4-176.60000108.2R43 V45 V54 W83 W109 Q178 L179 D180R43-V52 HydrophobicContact CB-CG2 3.91Å; R43-V52 HydrophobicContact CG-CG2 4.34Å; V45-V52 HydrophobicContact CG1-CG2 3.6Å; V52-V54 HydrophobicContact CG1-CG2 4.01Å; V52-W83 HydrophobicContact CG1-CB 4.33Å; V52-W109 HydrophobicContact CB-CH2 4.48Å; V52-W109 HydrophobicContact CG1-CH2 3.98Å; V52-W109 HydrophobicContact CG1-CZ3 4.15Å; V52-Q178 PolarHBondContact N-O 3.4Å; V52-L179 WeakPolarHBondContact O-CA 3.26Å; V52-D180 PolarHBondContact O-N 3.11Å
53V96.3Very high94.8Very high61 Ų6150.4 Ų50.437%0.3725%0.247SC..EExtended strand (participates in β ladder)trans-88.5119.2172.2-178.60000108.3D180 Q182V53-D180 WeakPolarHBondContact CA-O 3.46Å; V53-D180 HydrophobicContact CG2-CB 4.45Å; V53-Q182 HydrophobicContact CG1-CB 4.47Å; V53-Q182 HydrophobicContact CG1-CG 4.05Å
54V97.5Very high94.9Very high0 Ų052 Ų520%026%0.259CS..EExtended strand (participates in β ladder)trans-110114177.4-1790000108.2V52 Y81 T82 W83 P111 L179 D180 L181 Q182V52-V54 HydrophobicContact CG1-CG2 4.01Å; V54-Y81 HydrophobicContact CG1-CD1 4.38Å; V54-T82 CarbonylContact C-O 3.59Å; V54-T82 WeakPolarHBondContact CA-O 3.22Å; V54-W83 HydrophobicContact CG2-CB 4.32Å; V54-P111 HydrophobicContact CG1-CB 4.45Å; V54-P111 HydrophobicContact CG1-CG 4.1Å; V54-P111 HydrophobicContact CG2-CB 4.04Å; V54-P111 HydrophobicContact CG2-CG 4.31Å; V54-L179 HydrophobicContact CG2-CD1 4Å; V54-L179 HydrophobicContact CG2-CD2 4.27Å; V54-L179 HydrophobicContact CG2-CG 4.03Å; V54-D180 PolarHBondContact N-O 3.5Å; V54-L181 HydrophobicContact CB-CD1 4.15Å; V54-L181 HydrophobicContact CG1-CD1 4.12Å; V54-Q182 PolarHBondContact O-N 2.95Å
55G97.5Very high94.8Very high8 Ų855.8 Ų55.88%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-80.3124.6168.500000109.7Y81 T82 Q182G55-Y81 CarbonylContact O-C 3.59Å; G55-Y81 WeakPolarHBondContact O-CA 3.49Å; G55-T82 PolarHBondContact N-O 3.31Å; G55-T82 PolarHBondContact O-N 3.41Å; G55-Q182 CarbonylContact C-O 3.55Å; G55-Q182 WeakPolarHBondContact CA-O 3.41Å
56Y97.9Very high94.9Very high0 Ų054.4 Ų54.40%027%0.27CS..EExtended strand (participates in β ladder)trans-127.7139.9-178.2-175.6-109.9000111.3L58 A79 K80 Y81 F169 Q182 L184 L225 F227Y56-L58 HydrophobicContact CE1-CD2 4.08Å; Y56-L58 HydrophobicContact CE1-CG 4.36Å; Y56-L58 WeakPolarHBondContact OH-CD2 3.29Å; Y56-A79 HydrophobicContact CE2-CB 4.17Å; Y56-K80 WeakPolarHBondContact CA-O 3.43Å; Y56-K80 WeakPolarHBondContact CD2-O 3.32Å; Y56-Y81 AromaticContact CD2-CD1 3.6Å; Y56-Y81 HydrophobicContact CD2-CD1 3.6Å; Y56-Y81 AromaticContact CD2-CE1 3.32Å; Y56-Y81 HydrophobicContact CD2-CE1 3.32Å; Y56-Y81 HydrophobicContact CD2-CE2 4.37Å; Y56-Y81 HydrophobicContact CD2-CG 4.21Å; Y56-Y81 AromaticContact CD2-CZ 3.76Å; Y56-Y81 HydrophobicContact CE2-CD1 4.05Å; Y56-Y81 HydrophobicContact CE2-CD2 4.48Å; Y56-Y81 AromaticContact CE2-CE1 3.36Å; Y56-Y81 HydrophobicContact CE2-CE1 3.36Å; Y56-Y81 AromaticContact CE2-CE2 3.9Å; Y56-Y81 HydrophobicContact CE2-CE2 3.9Å; Y56-Y81 AromaticContact CE2-CZ 3.27Å; Y56-Y81 VanDerWaalsContact CE2-OH 3.3Å; Y56-Y81 WeakPolarHBondContact CE2-OH 3.44Å; Y56-Y81 HydrophobicContact CG-CE1 4.49Å; Y56-F169 HydrophobicContact CD1-CB 4.21Å; Y56-F169 HydrophobicContact CD1-CG 4.42Å; Y56-F169 HydrophobicContact CE1-CB 3.68Å; Y56-F169 AromaticContact CE1-CD1 3.84Å; Y56-F169 HydrophobicContact CE1-CD1 3.84Å; Y56-F169 AromaticContact CE1-CD2 3.71Å; Y56-F169 HydrophobicContact CE1-CD2 3.71Å; Y56-F169 HydrophobicContact CE1-CE1 4.4Å; Y56-F169 HydrophobicContact CE1-CE2 4.29Å; Y56-F169 AromaticContact CE1-CG 3.44Å; Y56-F169 HydrophobicContact CE1-CG 3.44Å; Y56-F169 VanDerWaalsContact CE1-CG 3.44Å; Y56-F169 AromaticContact CZ-CD1 3.82Å; Y56-F169 AromaticContact CZ-CG 3.93Å; Y56-F169 WeakPolarHBondContact OH-CD1 3.46Å; Y56-F169 WeakPolarHBondContact OH-CE1 3.35Å; Y56-F169 WeakPolarHBondContact OH-CZ 3.27Å; Y56-Q182 PolarHBondContact N-O 3.29Å; Y56-L184 PolarHBondContact O-N 3.18Å; Y56-L225 HydrophobicContact CD1-CD1 4.1Å; Y56-F227 AromaticContact CD1-CE2 3.95Å; Y56-F227 HydrophobicContact CD1-CE2 3.95Å; Y56-F227 HydrophobicContact CD1-CZ 4.15Å; Y56-F227 AromaticContact CE1-CE2 3.86Å; Y56-F227 HydrophobicContact CE1-CE2 3.86Å; Y56-F227 HydrophobicContact CE1-CZ 4.34Å
57G97.1Very high94.9Very high12 Ų1249 Ų4912%0.12425%0.248CC..EExtended strand (participates in β ladder)trans-154.6156.7178.400000111.5K80G57-K80 PolarHBondContact N-O 3.32Å; G57-K80 PolarHBondContact O-N 2.99Å
58L97.1Very high94.8Very high4 Ų446.4 Ų46.42%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-114.7138176.3-63.1179.9000109.6Y56 V77 A79 F147 F169 V190 D191 F227Y56-L58 HydrophobicContact CE1-CD2 4.08Å; Y56-L58 HydrophobicContact CE1-CG 4.36Å; Y56-L58 WeakPolarHBondContact OH-CD2 3.29Å; L58-V77 HydrophobicContact CD2-CG2 4.16Å; L58-A79 HydrophobicContact CD2-CB 4.4Å; L58-F147 HydrophobicContact CD2-CE2 4.21Å; L58-F169 HydrophobicContact CD1-CD2 4.4Å; L58-F169 HydrophobicContact CD1-CE2 3.65Å; L58-F169 HydrophobicContact CD1-CZ 4.27Å; L58-F169 HydrophobicContact CD2-CE2 4.34Å; L58-F169 HydrophobicContact CD2-CZ 4.33Å; L58-F169 HydrophobicContact CG-CE2 4.43Å; L58-V190 HydrophobicContact CB-CG1 4.12Å; L58-D191 WeakPolarHBondContact O-CB 3.42Å; L58-D191 PolarHBondContact O-N 2.83Å; L58-F227 HydrophobicContact CB-CD1 4.47Å; L58-F227 HydrophobicContact CB-CE1 4.35Å; L58-F227 HydrophobicContact CD1-CB 4.09Å; L58-F227 HydrophobicContact CD1-CD1 4.05Å; L58-F227 HydrophobicContact CD1-CD2 3.61Å; L58-F227 HydrophobicContact CD1-CE1 4.39Å; L58-F227 HydrophobicContact CD1-CE2 4Å; L58-F227 HydrophobicContact CD1-CG 3.64Å; L58-F227 HydrophobicContact CD1-CZ 4.37Å; L58-F227 HydrophobicContact CG-CD1 4.32Å; L58-F227 HydrophobicContact CG-CD2 4.17Å; L58-F227 HydrophobicContact CG-CE1 4.19Å; L58-F227 HydrophobicContact CG-CE2 4.05Å; L58-F227 HydrophobicContact CG-CG 4.31Å; L58-F227 HydrophobicContact CG-CZ 4.05Å
59S96.6Very high94.5Very high2 Ų246.6 Ų46.61%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-116.9114.1166.2-1680000108.5F61 V77 W78 D191S59-F61 PolarHBondContact O-N 3.36Å; S59-V77 CarbonylContact O-C 3.56Å; S59-V77 VanDerWaalsContact O-CA 3.22Å; S59-V77 WeakPolarHBondContact O-CA 3.4Å; S59-V77 WeakPolarHBondContact O-CB 3.35Å; S59-W78 PolarHBondContact N-O 3.26Å; S59-W78 PolarHBondContact O-N 3.05Å; S59-D191 CarbonylContact C-O 3.59Å; S59-D191 WeakPolarHBondContact CA-O 3.43Å; S59-D191 WeakPolarHBondContact CB-OD2 3.31Å; S59-D191 PolarHBondContact OG-OD2 2.9Å
60L97Very high94.3Very high4 Ų442.3 Ų42.32%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-76117.3-177.7-177.365.6000109.6I75 V77 V190 D191 I192 Y195 L203L60-I75 HydrophobicContact CD1-CB 4.04Å; L60-I75 HydrophobicContact CD1-CG2 4.17Å; L60-V77 HydrophobicContact CD1-CG1 3.89Å; L60-V190 HydrophobicContact CB-CG1 3.8Å; L60-D191 PolarHBondContact N-O 3.32Å; L60-I192 HydrophobicContact CB-CG2 4.48Å; L60-Y195 HydrophobicContact CB-CD2 4.48Å; L60-Y195 HydrophobicContact CD2-CD2 3.67Å; L60-Y195 HydrophobicContact CD2-CE2 3.67Å; L60-Y195 HydrophobicContact CD2-CG 4.43Å; L60-Y195 HydrophobicContact CG-CD2 3.7Å; L60-Y195 HydrophobicContact CG-CE2 4.05Å; L60-Y195 WeakPolarHBondContact O-CA 3.47Å; L60-Y195 WeakPolarHBondContact O-CB 3.32Å; L60-L203 HydrophobicContact CD2-CD2 4.05Å
61F95Very high94.2Very high72 Ų7242 Ų4232%0.31621%0.207SC..EExtended strand (participates in β ladder)trans-90.6-47.6176.2-173-100.1000110.8S59 N76 W78 Q194 Y195 T196S59-F61 PolarHBondContact O-N 3.36Å; F61-N76 WeakPolarHBondContact CB-O 3.28Å; F61-N76 PolarHBondContact N-O 3.47Å; F61-W78 AromaticContact CD2-NE1 3.97Å; F61-Q194 HydrophobicContact CD2-CB 4.15Å; F61-Y195 WeakPolarHBondContact O-CA 3.26Å; F61-T196 PolarHBondContact O-N 3.23Å
62Q95.5Very high94.2Very high78 Ų7837.4 Ų37.436%0.36419%0.192SC..EExtended strand (participates in β ladder)trans-154.9141.6179.7-169.4-179.73.800111.3L64 N76Q62-L64 HydrophobicContact CG-CD2 4.34Å; Q62-N76 HydrophobicContact CB-CB 4.35Å; Q62-N76 PolarHBondContact N-O 3.22Å; Q62-N76 VanDerWaalsContact N-O 3.17Å; Q62-N76 PolarHBondContact O-N 2.94Å
63L95.7Very high94.2Very high6 Ų637.2 Ų37.23%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-83.3108.6162.5177.365000107.7L73 I75 W201 L231L63-L73 HydrophobicContact CD1-CD1 3.36Å; L63-I75 HydrophobicContact CD1-CG2 3.75Å; L63-W201 HydrophobicContact CD2-CB 3.49Å; L63-W201 VanDerWaalsContact CD2-CB 3.49Å; L63-W201 HydrophobicContact CD2-CG 3.89Å; L63-L231 HydrophobicContact CD1-CD1 4.4Å; L63-L231 HydrophobicContact CD2-CD1 4.1Å; L63-L231 HydrophobicContact CD2-CD2 4.02Å
64L93.9Very high94.3Very high74 Ų7435.2 Ų35.239%0.38718%0.179SC..EExtended strand (participates in β ladder)trans-79.4-51.2-173.6-69.5173.1000111.1Q62 T74 N76 I146Q62-L64 HydrophobicContact CG-CD2 4.34Å; L64-T74 HydrophobicContact CB-CG2 4.04Å; L64-T74 WeakPolarHBondContact CB-O 3.36Å; L64-T74 HydrophobicContact CD1-CG2 3.9Å; L64-T74 PolarHBondContact N-O 3.02Å; L64-N76 HydrophobicContact CD1-CB 3.99Å; L64-N76 HydrophobicContact CD2-CB 4.48Å; L64-N76 HydrophobicContact CG-CB 4.1Å; L64-I146 HydrophobicContact CD1-CD1 4.36Å; L64-I146 HydrophobicContact CD1-CG1 4.35Å; L64-I146 HydrophobicContact CD1-CG2 4.09Å
65D93.5Very high94.2Very high82 Ų8235.4 Ų35.444%0.43918%0.18SC..EExtended strand (participates in β ladder)trans-160.8151-176.9-165.616.5000111.4T74D65-T74 PolarHBondContact N-O 3.37Å; D65-T74 PolarHBondContact O-N 2.94Å
66L93.6Very high94.2Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-126.391.2166.918059.8000107.4E68 L73 C151 I153 Q163 W201 L231L66-E68 VanDerWaalsContact O-CD 3.26Å; L66-E68 PolarHBondContact O-N 3.47Å; L66-E68 VanDerWaalsContact O-OE2 3.09Å; L66-L73 HydrophobicContact CD1-CB 3.88Å; L66-L73 HydrophobicContact CD1-CD1 4.04Å; L66-C151 HydrophobicContact CD1-CB 4.24Å; L66-I153 HydrophobicContact CD1-CD1 3.89Å; L66-I153 HydrophobicContact CD2-CD1 4.13Å; L66-I153 HydrophobicContact CG-CD1 4.12Å; L66-Q163 HydrophobicContact CD2-CB 4.11Å; L66-Q163 HydrophobicContact CD2-CG 4.09Å; L66-W201 HydrophobicContact CB-CZ2 4.27Å; L66-W201 HydrophobicContact CD2-CH2 3.8Å; L66-W201 HydrophobicContact CD2-CZ2 3.7Å; L66-W201 HydrophobicContact CD2-CZ3 4.28Å; L66-W201 HydrophobicContact CG-CZ2 4.36Å; L66-L231 HydrophobicContact CD2-CD1 4.12Å
67D91.7Very high94.1Very high44 Ų4436.8 Ų36.824%0.23519%0.186CC..EExtended strand (participates in β ladder)trans-73.397.8-179.8-176.9-22000108.8K69 N70 Q71 I72D67-K69 PolarHBondContact O-N 3.48Å; D67-K69 WeakPolarHBondContact OD1-CA 3.22Å; D67-K69 WeakPolarHBondContact OD1-CB 3.3Å; D67-K69 PolarHBondContact OD1-N 2.89Å; D67-N70 PolarHBondContact OD1-N 2.87Å; D67-N70 PolarHBondContact OD2-ND2 3Å; D67-Q71 WeakPolarHBondContact O-CA 3.41Å; D67-Q71 PolarHBondContact O-N 3.38Å; D67-I72 HydrophobicContact CB-CB 4.47Å; D67-I72 PolarHBondContact N-O 2.98Å; D67-I72 PolarHBondContact O-N 3.48Å
68E88.7Confident94.1Very high25 Ų2540 Ų4012%0.11719%0.194CC..THydrogen-bonded Turntrans-68.3-27.5-177.7-56.697.1146.200112L66 I153 R233 P289L66-E68 VanDerWaalsContact O-CD 3.26Å; L66-E68 PolarHBondContact O-N 3.47Å; L66-E68 VanDerWaalsContact O-OE2 3.09Å; E68-I153 HydrophobicContact CB-CG1 4.47Å; E68-I153 HydrophobicContact CB-CG2 4.23Å; E68-I153 HydrophobicContact CG-CG2 4.24Å; E68-R233 IonicContact OE1-CZ 3.2Å; E68-R233 IonicContact OE1-NH1 2.85Å; E68-R233 PolarHBondContact OE1-NH1 3.24Å; E68-R233 IonicContact OE1-NH2 3.84Å; E68-R233 PolarHBondContact OE1-NH2 3.46Å; E68-P289 WeakPolarHBondContact O-CB 3.42Å; E68-P289 VanDerWaalsContact O-CG 3.31Å; E68-P289 WeakPolarHBondContact O-CG 3.32Å
69K84.9Confident94.1Very high121 Ų12139.8 Ų39.853%0.52619%0.193SC..THydrogen-bonded Turntrans-68.5-47.9-178.3179.6-173.1173.9-172.50111.5D67D67-K69 PolarHBondContact O-N 3.48Å; D67-K69 WeakPolarHBondContact OD1-CA 3.22Å; D67-K69 WeakPolarHBondContact OD1-CB 3.3Å; D67-K69 PolarHBondContact OD1-N 2.89Å
70N87.9Confident94.1Very high95 Ų9542 Ų4251%0.50820%0.202SC..THydrogen-bonded Turntrans-91.7-4.4-179.8-62.8-46.1000112.9D67 I72D67-N70 PolarHBondContact OD1-N 2.87Å; D67-N70 PolarHBondContact OD2-ND2 3Å; N70-I72 HydrophobicContact CB-CD1 3.95Å; N70-I72 HydrophobicContact CB-CG1 4.12Å
71Q91.7Very high94.1Very high56 Ų5641.9 Ų41.926%0.26220%0.201SC..THydrogen-bonded Turntrans61.642.7-178-59.4-173.9-11.600112.7D67 N150 C151 I153D67-Q71 WeakPolarHBondContact O-CA 3.41Å; D67-Q71 PolarHBondContact O-N 3.38Å; Q71-N150 PolarHBondContact O-OD1 2.67Å; Q71-C151 WeakPolarHBondContact CB-O 3.33Å; Q71-C151 PolarHBondContact O-N 3.04Å; Q71-I153 HydrophobicContact CB-CG1 4.47Å; Q71-I153 HydrophobicContact CG-CG1 4.16Å
72I94.4Very high94.2Very high37 Ų3740.6 Ų40.619%0.1920%0.2CC..EExtended strand (participates in β ladder)trans-120.1121.8-175.2-59.7175.3000110.5D67 N70 A119 K148D67-I72 HydrophobicContact CB-CB 4.47Å; D67-I72 PolarHBondContact N-O 2.98Å; D67-I72 PolarHBondContact O-N 3.48Å; N70-I72 HydrophobicContact CB-CD1 3.95Å; N70-I72 HydrophobicContact CB-CG1 4.12Å; I72-A119 HydrophobicContact CD1-CB 4.08Å; I72-A119 HydrophobicContact CG1-CB 3.94Å; I72-A119 HydrophobicContact CG2-CB 4.34Å; I72-K148 HydrophobicContact CG2-CB 3.88Å; I72-K148 HydrophobicContact CG2-CD 4.33Å; I72-K148 HydrophobicContact CG2-CG 4.38Å
73L96.1Very high94.3Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-90126168.2171.871.1000109.5L63 L66 I75 K148 S149 C151 C165 L167 L229 L231L63-L73 HydrophobicContact CD1-CD1 3.36Å; L66-L73 HydrophobicContact CD1-CB 3.88Å; L66-L73 HydrophobicContact CD1-CD1 4.04Å; L73-I75 HydrophobicContact CD1-CG2 3.95Å; L73-I75 HydrophobicContact CD2-CG2 4.09Å; L73-I75 HydrophobicContact CG-CG2 3.96Å; L73-K148 CarbonylContact O-C 3.53Å; L73-K148 VanDerWaalsContact O-CA 3.26Å; L73-K148 WeakPolarHBondContact O-CA 3.3Å; L73-S149 PolarHBondContact N-O 3.42Å; L73-S149 PolarHBondContact O-N 3.07Å; L73-C151 HydrophobicContact CB-CB 4Å; L73-C165 HydrophobicContact CB-CB 4.35Å; L73-C165 HydrophobicContact CD2-CB 3.5Å; L73-C165 HydrophobicContact CG-CB 4.4Å; L73-L167 HydrophobicContact CD2-CD1 4.21Å; L73-L229 HydrophobicContact CD2-CD1 3.95Å; L73-L231 HydrophobicContact CD1-CD1 4.25Å
74T96.6Very high94.4Very high20 Ų2040.9 Ų40.912%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-113.6119.8173.9-54.50000110.8L64 D65 I146 F147 K148L64-T74 HydrophobicContact CB-CG2 4.04Å; L64-T74 WeakPolarHBondContact CB-O 3.36Å; L64-T74 HydrophobicContact CD1-CG2 3.9Å; L64-T74 PolarHBondContact N-O 3.02Å; D65-T74 PolarHBondContact N-O 3.37Å; D65-T74 PolarHBondContact O-N 2.94Å; T74-I146 HydrophobicContact CG2-CG2 3.78Å; T74-F147 WeakPolarHBondContact CA-O 3.12Å; T74-K148 HydrophobicContact CG2-CG 4.04Å
75I96.7Very high94.5Very high3 Ų337.4 Ų37.42%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-126.6145.7179.859.1173.8000112L60 L63 L73 V77 I146 F147 L167 L229L60-I75 HydrophobicContact CD1-CB 4.04Å; L60-I75 HydrophobicContact CD1-CG2 4.17Å; L63-I75 HydrophobicContact CD1-CG2 3.75Å; L73-I75 HydrophobicContact CD1-CG2 3.95Å; L73-I75 HydrophobicContact CD2-CG2 4.09Å; L73-I75 HydrophobicContact CG-CG2 3.96Å; I75-V77 HydrophobicContact CB-CG1 4.16Å; I75-V77 HydrophobicContact CD1-CG1 3.55Å; I75-V77 HydrophobicContact CG1-CG1 3.85Å; I75-I146 WeakPolarHBondContact O-CA 3.45Å; I75-F147 HydrophobicContact CG1-CB 4.15Å; I75-F147 PolarHBondContact N-O 3.28Å; I75-F147 PolarHBondContact O-N 3.33Å; I75-L167 HydrophobicContact CD1-CD1 3.77Å; I75-L167 HydrophobicContact CD1-CD2 3.55Å; I75-L167 HydrophobicContact CD1-CG 4.33Å; I75-L167 HydrophobicContact CG1-CD2 4.2Å; I75-L229 HydrophobicContact CD1-CD1 4.34Å; I75-L229 HydrophobicContact CG2-CD1 4.21Å
76N96.4Very high94.4Very high37 Ų3735.7 Ų35.720%0.19817%0.174CC..EExtended strand (participates in β ladder)trans-102120.4169.2-173.69.6000109.1F61 Q62 L64F61-N76 WeakPolarHBondContact CB-O 3.28Å; F61-N76 PolarHBondContact N-O 3.47Å; Q62-N76 HydrophobicContact CB-CB 4.35Å; Q62-N76 PolarHBondContact N-O 3.22Å; Q62-N76 VanDerWaalsContact N-O 3.17Å; Q62-N76 PolarHBondContact O-N 2.94Å; L64-N76 HydrophobicContact CD1-CB 3.99Å; L64-N76 HydrophobicContact CD2-CB 4.48Å; L64-N76 HydrophobicContact CG-CB 4.1Å
77V97.2Very high94.4Very high1 Ų138.9 Ų38.91%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-138.8157-173.7-55.20000111.8L58 S59 L60 I75 A145 F147L58-V77 HydrophobicContact CD2-CG2 4.16Å; S59-V77 CarbonylContact O-C 3.56Å; S59-V77 VanDerWaalsContact O-CA 3.22Å; S59-V77 WeakPolarHBondContact O-CA 3.4Å; S59-V77 WeakPolarHBondContact O-CB 3.35Å; L60-V77 HydrophobicContact CD1-CG1 3.89Å; I75-V77 HydrophobicContact CB-CG1 4.16Å; I75-V77 HydrophobicContact CD1-CG1 3.55Å; I75-V77 HydrophobicContact CG1-CG1 3.85Å; V77-A145 HydrophobicContact CG2-CB 4.29Å; V77-A145 PolarHBondContact N-O 2.89Å; V77-A145 PolarHBondContact O-N 2.95Å; V77-F147 HydrophobicContact CG2-CD2 3.39Å; V77-F147 HydrophobicContact CG2-CE2 3.44Å; V77-F147 VanDerWaalsContact CG2-CE2 3.44Å
78W96.5Very high94.5Very high79 Ų7936.9 Ų36.930%0.29918%0.18SC..EExtended strand (participates in β ladder)trans-90116.3158.4-57100.6000108.8S59 F61 K80 P144S59-W78 PolarHBondContact N-O 3.26Å; S59-W78 PolarHBondContact O-N 3.05Å; F61-W78 AromaticContact CD2-NE1 3.97Å; W78-K80 PolarHBondContact O-N 3.42Å; W78-P144 HydrophobicContact CD2-CB 4.45Å; W78-P144 HydrophobicContact CE3-CB 3.76Å; W78-P144 HydrophobicContact CE3-CG 4.2Å; W78-P144 HydrophobicContact CH2-CB 4.03Å; W78-P144 HydrophobicContact CH2-CG 4.15Å; W78-P144 HydrophobicContact CZ3-CB 3.54Å; W78-P144 HydrophobicContact CZ3-CG 3.58Å
79A96.8Very high94.8Very high0 Ų041.9 Ų41.90%020%0.198CC..EExtended strand (participates in β ladder)trans-8610717300000108.1Y56 L58 Y81 S142 P143 F147Y56-A79 HydrophobicContact CE2-CB 4.17Å; L58-A79 HydrophobicContact CD2-CB 4.4Å; A79-Y81 HydrophobicContact CB-CE2 3.79Å; A79-Y81 WeakPolarHBondContact O-CD2 3.28Å; A79-S142 VanDerWaalsContact O-CA 3.31Å; A79-S142 WeakPolarHBondContact O-CA 3.49Å; A79-P143 HydrophobicContact CB-CG 4.5Å; A79-P143 PolarHBondContact N-O 2.95Å; A79-P143 VanDerWaalsContact N-O 3.1Å; A79-P143 VanDerWaalsContact O-CD 3.23Å; A79-P143 WeakPolarHBondContact O-CD 3.31Å; A79-F147 HydrophobicContact CB-CE2 4.29Å; A79-F147 HydrophobicContact CB-CZ 4.32Å
80K96.8Very high95.3Very high49 Ų4937.3 Ų37.321%0.21318%0.177CC..EExtended strand (participates in β ladder)trans-96.1128.8-175.6-63.4173.4178.31750109.8Y56 G57 W78 F140 S142 L184 D191Y56-K80 WeakPolarHBondContact CA-O 3.43Å; Y56-K80 WeakPolarHBondContact CD2-O 3.32Å; G57-K80 PolarHBondContact N-O 3.32Å; G57-K80 PolarHBondContact O-N 2.99Å; W78-K80 PolarHBondContact O-N 3.42Å; K80-F140 HydrophobicContact CB-CE2 4.37Å; K80-F140 HydrophobicContact CG-CZ 4.43Å; K80-S142 WeakPolarHBondContact CG-OG 3.29Å; K80-L184 HydrophobicContact CB-CD2 3.51Å; K80-L184 HydrophobicContact CD-CD2 4.01Å; K80-L184 HydrophobicContact CG-CD2 4.37Å; K80-D191 IonicContact NZ-OD2 3.18Å; K80-D191 PolarHBondContact NZ-OD2 3.14Å
81Y97.3Very high95.7Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-122.9142177.5-59.3-93.3000109.9V54 G55 Y56 A79 P111 I113 K126 F140 W141 P143V54-Y81 HydrophobicContact CG1-CD1 4.38Å; G55-Y81 CarbonylContact O-C 3.59Å; G55-Y81 WeakPolarHBondContact O-CA 3.49Å; Y56-Y81 AromaticContact CD2-CD1 3.6Å; Y56-Y81 HydrophobicContact CD2-CD1 3.6Å; Y56-Y81 AromaticContact CD2-CE1 3.32Å; Y56-Y81 HydrophobicContact CD2-CE1 3.32Å; Y56-Y81 HydrophobicContact CD2-CE2 4.37Å; Y56-Y81 HydrophobicContact CD2-CG 4.21Å; Y56-Y81 AromaticContact CD2-CZ 3.76Å; Y56-Y81 HydrophobicContact CE2-CD1 4.05Å; Y56-Y81 HydrophobicContact CE2-CD2 4.48Å; Y56-Y81 AromaticContact CE2-CE1 3.36Å; Y56-Y81 HydrophobicContact CE2-CE1 3.36Å; Y56-Y81 AromaticContact CE2-CE2 3.9Å; Y56-Y81 HydrophobicContact CE2-CE2 3.9Å; Y56-Y81 AromaticContact CE2-CZ 3.27Å; Y56-Y81 VanDerWaalsContact CE2-OH 3.3Å; Y56-Y81 WeakPolarHBondContact CE2-OH 3.44Å; Y56-Y81 HydrophobicContact CG-CE1 4.49Å; A79-Y81 HydrophobicContact CB-CE2 3.79Å; A79-Y81 WeakPolarHBondContact O-CD2 3.28Å; Y81-P111 HydrophobicContact CD1-CG 4.24Å; Y81-I113 HydrophobicContact CD1-CG1 4.44Å; Y81-I113 HydrophobicContact CE1-CB 3.83Å; Y81-I113 HydrophobicContact CE1-CG1 3.88Å; Y81-I113 HydrophobicContact CE1-CG2 4.43Å; Y81-K126 VanDerWaalsContact OH-CE 3.23Å; Y81-K126 WeakPolarHBondContact OH-CE 3.33Å; Y81-K126 PolarHBondContact OH-NZ 3.36Å; Y81-F140 WeakPolarHBondContact O-CA 3.37Å; Y81-F140 WeakPolarHBondContact O-CD2 3.48Å; Y81-W141 HydrophobicContact CD2-CD2 4.19Å; Y81-W141 AromaticContact CD2-CE3 3.55Å; Y81-W141 HydrophobicContact CD2-CE3 3.55Å; Y81-W141 HydrophobicContact CD2-CZ3 4.15Å; Y81-W141 WeakPolarHBondContact CD2-O 3.26Å; Y81-W141 AromaticContact CE2-CE3 3.9Å; Y81-W141 HydrophobicContact CE2-CE3 3.9Å; Y81-W141 HydrophobicContact CE2-CZ3 4.04Å; Y81-W141 AromaticContact CG-CE3 3.97Å; Y81-W141 HydrophobicContact CG-CE3 3.97Å; Y81-W141 PolarHBondContact N-O 2.85Å; Y81-W141 PolarHBondContact O-N 3.46Å; Y81-P143 HydrophobicContact CE2-CG 4.08Å
82T97.5Very high95.9Very high45 Ų4535 Ų3528%0.27617%0.167SC..EExtended strand (participates in β ladder)trans-139136.9165.5-164.50000110.5V54 G55 V139 L184V54-T82 CarbonylContact C-O 3.59Å; V54-T82 WeakPolarHBondContact CA-O 3.22Å; G55-T82 PolarHBondContact N-O 3.31Å; G55-T82 PolarHBondContact O-N 3.41Å; T82-V139 VanDerWaalsContact CA-O 3.27Å; T82-V139 WeakPolarHBondContact CA-O 3.42Å; T82-L184 HydrophobicContact CG2-CD1 3.27Å
83W97Very high95.9Very high3 Ų336.4 Ų36.41%0.01119%0.185CC..EExtended strand (participates in β ladder)trans-152.7170171.269.197.7000110.2V52 V54 W109 T110 P111 L131 V139 W141V52-W83 HydrophobicContact CG1-CB 4.33Å; V54-W83 HydrophobicContact CG2-CB 4.32Å; W83-W109 AromaticContact CD1-CZ3 3.92Å; W83-W109 HydrophobicContact CG-CZ3 4.36Å; W83-W109 AromaticContact NE1-CE3 3.88Å; W83-W109 AromaticContact NE1-CZ3 3.83Å; W83-T110 HydrophobicContact CH2-CG2 4.38Å; W83-P111 HydrophobicContact CE3-CG 4.3Å; W83-P111 HydrophobicContact CZ3-CG 4.29Å; W83-L131 HydrophobicContact CH2-CD2 3.4Å; W83-L131 VanDerWaalsContact CH2-CD2 3.4Å; W83-L131 HydrophobicContact CZ2-CD2 3.9Å; W83-L131 HydrophobicContact CZ3-CD2 4.38Å; W83-V139 HydrophobicContact CD2-CB 3.94Å; W83-V139 HydrophobicContact CD2-CG1 4.27Å; W83-V139 HydrophobicContact CE3-CB 4.31Å; W83-V139 HydrophobicContact CE3-CG1 4.33Å; W83-V139 HydrophobicContact CG-CB 4.47Å; W83-V139 HydrophobicContact CH2-CB 4.29Å; W83-V139 HydrophobicContact CH2-CG1 3.55Å; W83-V139 HydrophobicContact CZ2-CB 3.89Å; W83-V139 HydrophobicContact CZ2-CG1 3.43Å; W83-V139 VanDerWaalsContact CZ2-CG1 3.43Å; W83-V139 HydrophobicContact CZ2-CG2 4.36Å; W83-V139 HydrophobicContact CZ3-CB 4.47Å; W83-V139 HydrophobicContact CZ3-CG1 3.99Å; W83-V139 PolarHBondContact N-O 2.74Å; W83-V139 VanDerWaalsContact N-O 3.11Å; W83-V139 PolarHBondContact O-N 3.47Å; W83-W141 HydrophobicContact CH2-CB 4.28Å; W83-W141 HydrophobicContact CZ3-CB 4.07Å
84I96.8Very high95.8Very high88 Ų8841.4 Ų41.445%0.45121%0.211SC..EExtended strand (participates in β ladder)trans-106.8119.3174.8-58.1178.3000108.3G137 R138I84-G137 CarbonylContact C-O 3.54Å; I84-G137 WeakPolarHBondContact CA-O 3.37Å; I84-R138 HydrophobicContact CG1-CG 4.14Å
85D95.9Very high95.7Very high0 Ų041.4 Ų41.40%021%0.209CC..  trans-98.5116.2170.7-169-43.7000109.3Y35 P44 L87 L88 G137 V139Y35-D85 VanDerWaalsContact CE2-OD2 3.23Å; Y35-D85 WeakPolarHBondContact CE2-OD2 3.33Å; Y35-D85 PolarHBondContact OH-OD2 3.06Å; P44-D85 HydrophobicContact CB-CB 4.12Å; P44-D85 WeakPolarHBondContact CB-OD1 3.4Å; P44-D85 VanDerWaalsContact CB-OD2 3.25Å; P44-D85 WeakPolarHBondContact CB-OD2 3.46Å; P44-D85 HydrophobicContact CG-CB 4.37Å; D85-L87 VanDerWaalsContact C-N 3.25Å; D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 WeakPolarHBondContact OD1-CB 3.3Å; D85-L87 PolarHBondContact OD1-N 3.44Å; D85-L88 HydrophobicContact CB-CB 4.22Å; D85-L88 HydrophobicContact CB-CD1 3.97Å; D85-L88 HydrophobicContact CB-CG 4.18Å; D85-L88 PolarHBondContact OD1-N 2.87Å; D85-G137 PolarHBondContact N-O 3.12Å; D85-G137 WeakPolarHBondContact O-CA 3.42Å; D85-V139 HydrophobicContact CB-CG2 3.92Å
86Q93.1Very high95.5Very high47 Ų4745.7 Ų45.722%0.2224%0.239CC..SBendtrans-74.5-16.1-175.8-59.3-177.48.800113.4P44 K46P44-Q86 PolarHBondContact O-N 2.94Å; K46-Q86 VanDerWaalsContact CB-OE1 3.29Å; K46-Q86 HydrophobicContact CG-CB 4.36Å
87L92.3Very high95.4Very high67 Ų6749.3 Ų49.335%0.35126%0.259SS..SBendtrans-88-22.3-179.7-57.1175.6000111.9Y35 A38 D85 R89Y35-L87 HydrophobicContact CD2-CB 3.81Å; Y35-L87 HydrophobicContact CD2-CD1 4.21Å; Y35-L87 HydrophobicContact CE2-CB 3.8Å; Y35-L87 HydrophobicContact CE2-CD1 3.94Å; Y35-L87 HydrophobicContact CE2-CG 4.46Å; A38-L87 HydrophobicContact CB-CD1 4.03Å; A38-L87 HydrophobicContact CB-CD2 4.34Å; D85-L87 VanDerWaalsContact C-N 3.25Å; D85-L87 PolarHBondContact O-N 3.47Å; D85-L87 WeakPolarHBondContact OD1-CB 3.3Å; D85-L87 PolarHBondContact OD1-N 3.44Å; L87-R89 PolarHBondContact O-N 3.46Å
88L95Very high95.3Very high1 Ų150.8 Ų50.81%0.00527%0.266CS..SBendtrans-94.649.3-179.2-62.3175.8000113L31 Y35 D85 I103 I108 V133 G137 V139L31-L88 HydrophobicContact CB-CD2 4.45Å; Y35-L88 HydrophobicContact CD2-CD2 3.61Å; Y35-L88 HydrophobicContact CD2-CG 3.95Å; Y35-L88 HydrophobicContact CE2-CD1 4.27Å; Y35-L88 HydrophobicContact CE2-CD2 4.03Å; Y35-L88 HydrophobicContact CE2-CG 3.86Å; D85-L88 HydrophobicContact CB-CB 4.22Å; D85-L88 HydrophobicContact CB-CD1 3.97Å; D85-L88 HydrophobicContact CB-CG 4.18Å; D85-L88 PolarHBondContact OD1-N 2.87Å; L88-I103 HydrophobicContact CD2-CD1 4.39Å; L88-I108 HydrophobicContact CD1-CD1 3.88Å; L88-I108 HydrophobicContact CD1-CG2 4.13Å; L88-I108 HydrophobicContact CD2-CG2 4.28Å; L88-V133 HydrophobicContact CB-CG1 3.96Å; L88-V133 HydrophobicContact CD1-CG1 4.16Å; L88-V133 HydrophobicContact CD1-CG2 4.35Å; L88-G137 VanDerWaalsContact O-CA 3.25Å; L88-G137 WeakPolarHBondContact O-CA 3.47Å; L88-V139 HydrophobicContact CD1-CG2 4.15Å
89R95Very high95.3Very high131 Ų13154.7 Ų54.749%0.49428%0.281SS..  trans-112.1140.8177.3-66.1-174.7175.7178.24111.4L87 M136L87-R89 PolarHBondContact O-N 3.46Å; R89-M136 PolarHBondContact NE-O 3.44Å
90W95.4Very high95.3Very high24 Ų2459.9 Ų59.99%0.09131%0.305CS..  trans-145.5163.7172.469.896.3000111.1L27 L31 P92 Y95 I98 R99 V101 V133 D134 Y135L27-W90 HydrophobicContact CD1-CB 3.9Å; L27-W90 HydrophobicContact CD1-CD2 4.02Å; L27-W90 HydrophobicContact CD1-CG 3.67Å; L27-W90 HydrophobicContact CD2-CD2 4.1Å; L27-W90 HydrophobicContact CD2-CG 4.2Å; L27-W90 HydrophobicContact CD2-CZ2 4.15Å; L31-W90 HydrophobicContact CD1-CD2 4.47Å; L31-W90 HydrophobicContact CD1-CE3 3.83Å; L31-W90 HydrophobicContact CD1-CZ3 4.02Å; L31-W90 HydrophobicContact CD2-CE3 4.22Å; W90-P92 WeakPolarHBondContact O-CD 3.27Å; W90-Y95 HydrophobicContact CB-CE2 4.34Å; W90-Y95 AromaticContact CD1-CD2 3.97Å; W90-I98 PolarHBondContact NE1-O 3.47Å; W90-R99 WeakPolarHBondContact CZ2-O 3.48Å; W90-V101 HydrophobicContact CH2-CG1 4.41Å; W90-V101 HydrophobicContact CH2-CG2 3.73Å; W90-V101 HydrophobicContact CZ2-CG1 4.23Å; W90-V101 HydrophobicContact CZ2-CG2 4.37Å; W90-V101 HydrophobicContact CZ3-CG2 4.16Å; W90-V133 HydrophobicContact CH2-CG1 4.49Å; W90-V133 WeakPolarHBondContact CH2-O 3.29Å; W90-V133 HydrophobicContact CZ3-CG1 4.1Å; W90-D134 WeakPolarHBondContact CZ3-O 3.41Å; W90-Y135 VanDerWaalsContact CH2-CA 3.45Å; W90-Y135 VanDerWaalsContact CH2-N 3.29Å; W90-Y135 VanDerWaalsContact CZ2-CA 3.5Å; W90-Y135 PolarHBondContact N-O 3.02Å
91D96.3Very high95.3Very high87 Ų8757.7 Ų57.747%0.46530%0.296SS..  trans-92.6115.7170.9-178.50000109.4A93 N94D91-A93 PolarHBondContact O-N 3.02Å; D91-A93 VanDerWaalsContact O-N 3.15Å; D91-A93 WeakPolarHBondContact OD1-CB 3.23Å; D91-A93 PolarHBondContact OD1-N 3.37Å; D91-N94 PolarHBondContact O-N 3.01Å
92P95.6Very high95.2Very high16 Ų1666.3 Ų66.310%0.10433%0.328CS..G310 helixtrans-54.4-30178-27.236000113.8W90 N94 Y95 N97 R99 Y135W90-P92 WeakPolarHBondContact O-CD 3.27Å; P92-N94 PolarHBondContact O-N 3.17Å; P92-Y95 CarbonylContact O-C 3.56Å; P92-Y95 PolarHBondContact O-N 3.23Å; P92-Y95 VanDerWaalsContact O-N 3.07Å; P92-N97 VanDerWaalsContact O-CA 3.24Å; P92-N97 WeakPolarHBondContact O-CA 3.49Å; P92-N97 PolarHBondContact O-N 3.48Å; P92-R99 HydrophobicContact CB-CG 4.48Å; P92-R99 HydrophobicContact CG-CG 4.38Å; P92-Y135 HydrophobicContact CG-CD1 4.08Å; P92-Y135 HydrophobicContact CG-CD2 3.73Å; P92-Y135 HydrophobicContact CG-CE2 4.35Å; P92-Y135 HydrophobicContact CG-CG 3.58Å
93A94.9Very high95.1Very high67 Ų6764.1 Ų64.155%0.55432%0.315SS*.G310 helixtrans-59.3-30.1-178.600000112.6D91 Y95D91-A93 PolarHBondContact O-N 3.02Å; D91-A93 VanDerWaalsContact O-N 3.15Å; D91-A93 WeakPolarHBondContact OD1-CB 3.23Å; D91-A93 PolarHBondContact OD1-N 3.37Å; A93-Y95 VanDerWaalsContact C-N 3.35Å
94N93.6Very high95Very high104 Ų10465.9 Ų65.956%0.55633%0.326SS*.G310 helixtrans-81.2-12-178.9-67.1-33.6000114D91 P92D91-N94 PolarHBondContact O-N 3.01Å; P92-N94 PolarHBondContact O-N 3.17Å
95Y93.2Very high94.9Very high21 Ų2163 Ų638%0.08231%0.313CS..G310 helixtrans-13449.8-172.4-57.3-84.7000111.7L27 Q30 W90 P92 A93 N97 I98L27-Y95 HydrophobicContact CB-CD1 3.61Å; L27-Y95 HydrophobicContact CB-CE1 3.94Å; L27-Y95 HydrophobicContact CB-CG 3.98Å; L27-Y95 HydrophobicContact CD1-CD1 4.2Å; L27-Y95 HydrophobicContact CD1-CD2 3.83Å; L27-Y95 HydrophobicContact CD1-CE1 4.11Å; L27-Y95 HydrophobicContact CD1-CE2 3.73Å; L27-Y95 HydrophobicContact CD1-CG 4.05Å; L27-Y95 HydrophobicContact CD2-CG 4.26Å; L27-Y95 HydrophobicContact CG-CD1 4.37Å; L27-Y95 HydrophobicContact CG-CG 4.32Å; Q30-Y95 PolarHBondContact NE2-OH 2.94Å; Q30-Y95 VanDerWaalsContact NE2-OH 3.14Å; Q30-Y95 PolarHBondContact OE1-OH 2.92Å; W90-Y95 HydrophobicContact CB-CE2 4.34Å; W90-Y95 AromaticContact CD1-CD2 3.97Å; P92-Y95 CarbonylContact O-C 3.56Å; P92-Y95 PolarHBondContact O-N 3.23Å; P92-Y95 VanDerWaalsContact O-N 3.07Å; A93-Y95 VanDerWaalsContact C-N 3.35Å; Y95-N97 PolarHBondContact O-N 3.18Å; Y95-I98 WeakPolarHBondContact O-CB 3.32Å; Y95-I98 VanDerWaalsContact O-CD1 3.27Å; Y95-I98 WeakPolarHBondContact O-CD1 3.49Å; Y95-I98 WeakPolarHBondContact O-CG1 3.4Å; Y95-I98 PolarHBondContact O-N 3.46Å; Y95-I98 VanDerWaalsContact O-N 3.11Å
96S92.7Very high94.8Very high92 Ų9266.8 Ų66.864%0.64334%0.34SS*.THydrogen-bonded Turntrans57.733.8174.9-48.60000113.8S23 I98S23-S96 WeakPolarHBondContact CB-OG 3.38Å; S23-S96 PolarHBondContact OG-OG 2.94Å; S23-S96 VanDerWaalsContact OG-OG 3.08Å; S96-I98 PolarHBondContact O-N 3.29Å
97N94.2Very high94.8Very high114 Ų11466.6 Ų66.661%0.6134%0.342SS*.THydrogen-bonded Turntrans60.126-177.3-64.2-39.6000115.1P92 Y95 R99P92-N97 VanDerWaalsContact O-CA 3.24Å; P92-N97 WeakPolarHBondContact O-CA 3.49Å; P92-N97 PolarHBondContact O-N 3.48Å; Y95-N97 PolarHBondContact O-N 3.18Å; N97-R99 PolarHBondContact O-N 3.03Å
98I95.2Very high94.9Very high31 Ų3163.6 Ų63.616%0.15933%0.326CS..  trans-66.5119.3171.8-64.8165.2000109E24 L27 W90 Y95 S96 E100 V101E24-I98 VanDerWaalsContact CA-CD1 3.47Å; E24-I98 HydrophobicContact CB-CD1 3.62Å; E24-I98 HydrophobicContact CG-CD1 4.29Å; L27-I98 HydrophobicContact CD2-CB 4.36Å; L27-I98 HydrophobicContact CD2-CG2 4.01Å; W90-I98 PolarHBondContact NE1-O 3.47Å; Y95-I98 WeakPolarHBondContact O-CB 3.32Å; Y95-I98 VanDerWaalsContact O-CD1 3.27Å; Y95-I98 WeakPolarHBondContact O-CD1 3.49Å; Y95-I98 WeakPolarHBondContact O-CG1 3.4Å; Y95-I98 PolarHBondContact O-N 3.46Å; Y95-I98 VanDerWaalsContact O-N 3.11Å; S96-I98 PolarHBondContact O-N 3.29Å; I98-E100 WeakPolarHBondContact CG2-O 3.48Å; I98-V101 HydrophobicContact CG2-CG1 3.81Å
99R96.2Very high94.9Very high162 Ų16264.4 Ų64.461%0.61133%0.329SS*.  trans-101.6-24.9-178.5-66.4-176.2-178-174-1113.7W90 P92 N97 D134 Y135W90-R99 WeakPolarHBondContact CZ2-O 3.48Å; P92-R99 HydrophobicContact CB-CG 4.48Å; P92-R99 HydrophobicContact CG-CG 4.38Å; N97-R99 PolarHBondContact O-N 3.03Å; R99-D134 CarbonylContact O-C 3.59Å; R99-D134 WeakPolarHBondContact O-CA 3.33Å; R99-Y135 HydrophobicContact CB-CD1 3.99Å; R99-Y135 HydrophobicContact CG-CD1 4.18Å; R99-Y135 HydrophobicContact CG-CE1 4.45Å; R99-Y135 PolarHBondContact O-N 3.49Å
100E96.6Very high94.9Very high109 Ų10960.3 Ų60.351%0.50932%0.319SS..EExtended strand (participates in β ladder)trans-134.6144.4-178.2-65.9-177.4-172.100110I98 N132 V133I98-E100 WeakPolarHBondContact CG2-O 3.48Å; E100-N132 PolarHBondContact OE2-ND2 3.34Å; E100-V133 CarbonylContact C-O 3.56Å; E100-V133 VanDerWaalsContact CA-O 3.25Å; E100-V133 WeakPolarHBondContact CA-O 3.49Å
101V96.7Very high94.9Very high2 Ų259.4 Ų59.41%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-136.9151.3176.4-64.70000110.6L27 I28 L31 W90 I98 I103 V133L27-V101 HydrophobicContact CD2-CG1 3.62Å; L27-V101 HydrophobicContact CG-CG1 4.29Å; I28-V101 HydrophobicContact CD1-CB 4.27Å; I28-V101 HydrophobicContact CG1-CB 4Å; I28-V101 HydrophobicContact CG1-CG1 4.08Å; L31-V101 HydrophobicContact CD1-CG2 4.14Å; W90-V101 HydrophobicContact CH2-CG1 4.41Å; W90-V101 HydrophobicContact CH2-CG2 3.73Å; W90-V101 HydrophobicContact CZ2-CG1 4.23Å; W90-V101 HydrophobicContact CZ2-CG2 4.37Å; W90-V101 HydrophobicContact CZ3-CG2 4.16Å; I98-V101 HydrophobicContact CG2-CG1 3.81Å; V101-I103 HydrophobicContact CG2-CD1 3.96Å; V101-I103 HydrophobicContact CG2-CG1 4.08Å; V101-V133 HydrophobicContact CG2-CB 4.15Å; V101-V133 PolarHBondContact N-O 3.48Å; V101-V133 PolarHBondContact O-N 2.92Å
102R96.5Very high94.8Very high181 Ų18157.1 Ų57.168%0.68330%0.304SS*.EExtended strand (participates in β ladder)trans-99.9121.2176.7-64.3-178-174.5174.92.2110.9M130 L131R102-M130 HydrophobicContact CB-CB 4.37Å; R102-M130 HydrophobicContact CB-CE 4.27Å; R102-L131 VanDerWaalsContact CA-O 3.27Å; R102-L131 WeakPolarHBondContact CA-O 3.21Å
103I95.4Very high94.8Very high0 Ų056.4 Ų56.40%030%0.299CS..EExtended strand (participates in β ladder)trans-123137.2-176.6-61.3-178.4000109.6L31 L88 V101 V107 I108 L131 V133L31-I103 HydrophobicContact CD1-CD1 4.39Å; L88-I103 HydrophobicContact CD2-CD1 4.39Å; V101-I103 HydrophobicContact CG2-CD1 3.96Å; V101-I103 HydrophobicContact CG2-CG1 4.08Å; I103-V107 HydrophobicContact CG2-CG2 3.45Å; I103-V107 VanDerWaalsContact CG2-CG2 3.45Å; I103-I108 HydrophobicContact CG2-CD1 4.21Å; I103-I108 HydrophobicContact CG2-CG1 4.4Å; I103-I108 HydrophobicContact CG2-CG2 4.03Å; I103-L131 PolarHBondContact N-O 3.47Å; I103-L131 WeakPolarHBondContact O-CD1 3.41Å; I103-L131 PolarHBondContact O-N 2.84Å; I103-V133 HydrophobicContact CB-CG2 4.35Å; I103-V133 HydrophobicContact CD1-CB 4.44Å; I103-V133 HydrophobicContact CD1-CG2 4.06Å; I103-V133 HydrophobicContact CG1-CG2 4.32Å
104P95.4Very high94.8Very high39 Ų3955.4 Ų55.425%0.25329%0.286SS..  trans-66.6147.1174.8-16.427.9000113.1S106 V107 M130 L131P104-S106 PolarHBondContact O-N 3.31Å; P104-V107 HydrophobicContact CB-CG2 4.33Å; P104-V107 HydrophobicContact CG-CG2 4.37Å; P104-V107 WeakPolarHBondContact O-CG2 3.41Å; P104-V107 PolarHBondContact O-N 3.28Å; P104-M130 HydrophobicContact CB-CE 4.4Å; P104-M130 HydrophobicContact CB-SD 3.92Å; P104-M130 HydrophobicContact CG-CE 3.67Å; P104-M130 HydrophobicContact CG-SD 3.76Å; P104-L131 VanDerWaalsContact C-CD1 3.47Å
105P94Very high94.9Very high27 Ų2750.6 Ų50.618%0.17526%0.26CS..THydrogen-bonded Turntrans-65.6-22176.723-30.7000113.6V107 T110 V129 L131 W141P105-V107 VanDerWaalsContact C-N 3.27Å; P105-V107 PolarHBondContact O-N 3.41Å; P105-T110 HydrophobicContact CB-CG2 4.08Å; P105-V129 VanDerWaalsContact CD-O 3.31Å; P105-V129 WeakPolarHBondContact CD-O 3.44Å; P105-L131 HydrophobicContact CB-CD1 3.61Å; P105-L131 HydrophobicContact CG-CD1 4.19Å; P105-W141 HydrophobicContact CB-CZ2 4.39Å
106S93.1Very high94.8Very high80 Ų8052.1 Ų52.156%0.55927%0.268SS*.THydrogen-bonded Turntrans-74.5-10.6-178.258.20000114.3K40 P104K40-S106 WeakPolarHBondContact CE-O 3.23Å; K40-S106 PolarHBondContact NZ-O 3.27Å; P104-S106 PolarHBondContact O-N 3.31Å
107V93.8Very high94.9Very high43 Ų4349 Ų4926%0.26124%0.244SC..THydrogen-bonded Turntrans-108.9-11.7-175.8-64.30000114.1I32 I103 P104 P105I32-V107 HydrophobicContact CD1-CG2 4.25Å; I32-V107 HydrophobicContact CG1-CG2 4.29Å; I103-V107 HydrophobicContact CG2-CG2 3.45Å; I103-V107 VanDerWaalsContact CG2-CG2 3.45Å; P104-V107 HydrophobicContact CB-CG2 4.33Å; P104-V107 HydrophobicContact CG-CG2 4.37Å; P104-V107 WeakPolarHBondContact O-CG2 3.41Å; P104-V107 PolarHBondContact O-N 3.28Å; P105-V107 VanDerWaalsContact C-N 3.27Å; P105-V107 PolarHBondContact O-N 3.41Å
108I94.5Very high94.9Very high4 Ų450 Ų502%0.02124%0.24CC..SBendtrans-125.3170179.558.8172.7000111.1Y35 L88 I103 L131Y35-I108 HydrophobicContact CD1-CB 4.46Å; Y35-I108 HydrophobicContact CD1-CG2 4.11Å; Y35-I108 HydrophobicContact CD2-CG2 4.25Å; Y35-I108 HydrophobicContact CE1-CB 3.99Å; Y35-I108 HydrophobicContact CE1-CG2 4.12Å; Y35-I108 HydrophobicContact CE2-CB 4.44Å; Y35-I108 HydrophobicContact CE2-CG2 4.23Å; Y35-I108 HydrophobicContact CG-CG2 4.16Å; L88-I108 HydrophobicContact CD1-CD1 3.88Å; L88-I108 HydrophobicContact CD1-CG2 4.13Å; L88-I108 HydrophobicContact CD2-CG2 4.28Å; I103-I108 HydrophobicContact CG2-CD1 4.21Å; I103-I108 HydrophobicContact CG2-CG1 4.4Å; I103-I108 HydrophobicContact CG2-CG2 4.03Å; I108-L131 HydrophobicContact CD1-CD1 4.22Å; I108-L131 HydrophobicContact CD1-CD2 4.03Å
109W95.5Very high94.8Very high18 Ų1850.2 Ų50.27%0.06825%0.247CC..  trans-70139.3172.1177.390.2000110.5Y35 G42 R43 P44 V52 W83 P111 Y174 L179Y35-W109 VanDerWaalsContact OH-CB 3.24Å; Y35-W109 WeakPolarHBondContact OH-CB 3.39Å; Y35-W109 PolarHBondContact OH-N 3.09Å; G42-W109 VanDerWaalsContact O-CG 3.32Å; R43-W109 HydrophobicContact CG-CZ2 4.43Å; P44-W109 VanDerWaalsContact CD-CD2 3.49Å; P44-W109 HydrophobicContact CG-CD2 4.2Å; P44-W109 HydrophobicContact CG-CE3 3.6Å; P44-W109 HydrophobicContact CG-CZ3 3.88Å; V52-W109 HydrophobicContact CB-CH2 4.48Å; V52-W109 HydrophobicContact CG1-CH2 3.98Å; V52-W109 HydrophobicContact CG1-CZ3 4.15Å; W83-W109 AromaticContact CD1-CZ3 3.92Å; W83-W109 HydrophobicContact CG-CZ3 4.36Å; W83-W109 AromaticContact NE1-CE3 3.88Å; W83-W109 AromaticContact NE1-CZ3 3.83Å; W109-P111 HydrophobicContact CH2-CB 3.76Å; W109-P111 HydrophobicContact CZ2-CB 4.25Å; W109-P111 HydrophobicContact CZ3-CB 4.24Å; W109-Y174 HydrophobicContact CZ2-CE2 4.01Å; W109-Y174 PolarHBondContact NE1-OH 2.87Å; W109-L179 HydrophobicContact CH2-CD1 4.43Å
110T94.9Very high94.4Very high46 Ų4643.1 Ų43.128%0.28222%0.221SC..  trans-131.2140.7172.857.10000109.1W83 P105 L131W83-T110 HydrophobicContact CH2-CG2 4.38Å; P105-T110 HydrophobicContact CB-CG2 4.08Å; T110-L131 HydrophobicContact CG2-CD2 4.35Å
111P95.4Very high94Very high4 Ų447.2 Ų47.23%0.02624%0.24CC..  trans-67.1144-179.729.1-35.6000112V54 Y81 W83 W109 I113 L179V54-P111 HydrophobicContact CG1-CB 4.45Å; V54-P111 HydrophobicContact CG1-CG 4.1Å; V54-P111 HydrophobicContact CG2-CB 4.04Å; V54-P111 HydrophobicContact CG2-CG 4.31Å; Y81-P111 HydrophobicContact CD1-CG 4.24Å; W83-P111 HydrophobicContact CE3-CG 4.3Å; W83-P111 HydrophobicContact CZ3-CG 4.29Å; W109-P111 HydrophobicContact CH2-CB 3.76Å; W109-P111 HydrophobicContact CZ2-CB 4.25Å; W109-P111 HydrophobicContact CZ3-CB 4.24Å; P111-I113 VanDerWaalsContact C-N 3.26Å; P111-I113 HydrophobicContact CB-CD1 4.4Å; P111-I113 HydrophobicContact CB-CG1 4.15Å; P111-I113 HydrophobicContact CG-CG1 4.49Å; P111-I113 PolarHBondContact O-N 3.18Å; P111-I113 VanDerWaalsContact O-N 3.14Å; P111-L179 HydrophobicContact CB-CD1 4.19Å
112D93.6Very high93.6Very high40 Ų4051.3 Ų51.321%0.21426%0.255CS..  trans-87.848.3-17865.1-29.9000112.4V114 S171 W172 T173 Y174D112-V114 PolarHBondContact O-N 3.28Å; D112-S171 PolarHBondContact OD1-OG 3.01Å; D112-W172 PolarHBondContact O-N 3.44Å; D112-W172 PolarHBondContact OD2-N 3.41Å; D112-T173 WeakPolarHBondContact OD2-CB 3.24Å; D112-T173 PolarHBondContact OD2-N 2.99Å; D112-T173 PolarHBondContact OD2-OG1 2.99Å; D112-Y174 WeakPolarHBondContact OD1-CD2 3.48Å; D112-Y174 WeakPolarHBondContact OD1-CE2 3.49Å
113I95.5Very high93Very high1 Ų151.1 Ų51.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-76.4117.9176.5-48.3-53.4000109.5Y81 P111 K126 F169 A170 L179 L181Y81-I113 HydrophobicContact CD1-CG1 4.44Å; Y81-I113 HydrophobicContact CE1-CB 3.83Å; Y81-I113 HydrophobicContact CE1-CG1 3.88Å; Y81-I113 HydrophobicContact CE1-CG2 4.43Å; P111-I113 VanDerWaalsContact C-N 3.26Å; P111-I113 HydrophobicContact CB-CD1 4.4Å; P111-I113 HydrophobicContact CB-CG1 4.15Å; P111-I113 HydrophobicContact CG-CG1 4.49Å; P111-I113 PolarHBondContact O-N 3.18Å; P111-I113 VanDerWaalsContact O-N 3.14Å; I113-K126 PolarHBondContact O-NZ 2.74Å; I113-F169 HydrophobicContact CG2-CB 3.95Å; I113-F169 HydrophobicContact CG2-CD1 4.31Å; I113-A170 WeakPolarHBondContact CA-O 3.43Å; I113-L179 HydrophobicContact CD1-CD1 4.47Å; I113-L179 HydrophobicContact CD1-CD2 4.15Å; I113-L181 HydrophobicContact CD1-CD1 3.77Å; I113-L181 HydrophobicContact CD1-CD2 4.37Å; I113-L181 HydrophobicContact CG1-CD1 4.15Å; I113-L181 HydrophobicContact CG2-CD2 4.44Å
114V94.3Very high92.6Very high45 Ų4558.5 Ų58.527%0.27330%0.299SS..EExtended strand (participates in β ladder)trans-124.8154.9-175.1-65.80000111D112 F169 A170 W172D112-V114 PolarHBondContact O-N 3.28Å; V114-F169 WeakPolarHBondContact O-CA 2.99Å; V114-A170 PolarHBondContact N-O 3.33Å; V114-A170 PolarHBondContact O-N 2.86Å; V114-W172 HydrophobicContact CG2-CB 3.84Å; V114-W172 HydrophobicContact CG2-CD2 4.23Å; V114-W172 HydrophobicContact CG2-CE3 3.62Å; V114-W172 HydrophobicContact CG2-CG 4.37Å; V114-W172 HydrophobicContact CG2-CZ3 4.49Å
115L95.4Very high92.3Very high4 Ų458.1 Ų58.12%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-81114.3172.9178.364.5000109N117 Y118 F147 L167 K168 F169L115-N117 VanDerWaalsContact CD1-OD1 3.23Å; L115-N117 WeakPolarHBondContact CD1-OD1 3.21Å; L115-Y118 VanDerWaalsContact O-CD1 3.23Å; L115-Y118 WeakPolarHBondContact O-CD1 3.47Å; L115-F147 HydrophobicContact CB-CD1 4.49Å; L115-F147 HydrophobicContact CD2-CB 4.08Å; L115-F147 HydrophobicContact CD2-CD1 4.15Å; L115-F147 HydrophobicContact CD2-CG 4.38Å; L115-L167 HydrophobicContact CD1-CB 3.78Å; L115-L167 HydrophobicContact CD1-CD2 4.17Å; L115-L167 HydrophobicContact CD1-CG 4.36Å; L115-L167 HydrophobicContact CD2-CD2 4.39Å; L115-K168 CarbonylContact C-O 3.54Å; L115-K168 WeakPolarHBondContact CA-O 3.44Å; L115-F169 HydrophobicContact CB-CD1 4.33Å; L115-F169 HydrophobicContact CB-CE1 3.9Å; L115-F169 HydrophobicContact CB-CZ 4.41Å; L115-F169 HydrophobicContact CD1-CE1 4.16Å; L115-F169 HydrophobicContact CD1-CE2 4.1Å; L115-F169 HydrophobicContact CD1-CZ 3.92Å
116H92.8Very high92.2Very high53 Ų5359 Ų5925%0.24530%0.295CS..THydrogen-bonded Turntrans-72.2-35.7-177-79-162.9000113.2Y118 K168 A170 W172H116-Y118 VanDerWaalsContact C-N 3.3Å; H116-Y118 PolarHBondContact O-N 3.3Å; H116-K168 HydrophobicContact CB-CB 4.27Å; H116-K168 PolarHBondContact N-O 3.47Å; H116-A170 VanDerWaalsContact CE1-CB 3.42Å; H116-A170 WeakPolarHBondContact CE1-CB 3.42Å; H116-A170 WeakPolarHBondContact NE2-CB 3.4Å; H116-W172 AromaticContact NE2-CE3 3.98Å
117N94.6Very high92.3Very high25 Ų2562.7 Ų62.713%0.13430%0.296CS..THydrogen-bonded Turntrans-96.737.3179.366.6-46.7000112.5L115 S149 N150 F166 K168L115-N117 VanDerWaalsContact CD1-OD1 3.23Å; L115-N117 WeakPolarHBondContact CD1-OD1 3.21Å; N117-S149 WeakPolarHBondContact O-CA 3.32Å; N117-N150 PolarHBondContact ND2-O 3.41Å; N117-N150 PolarHBondContact O-N 3.28Å; N117-F166 HydrophobicContact CB-CE2 4.48Å; N117-F166 WeakPolarHBondContact ND2-CE2 3.27Å; N117-F166 PolarHBondContact ND2-O 3.02Å; N117-K168 PolarHBondContact OD1-N 3.2Å
118Y94.2Very high92.2Very high137 Ų13767.2 Ų67.254%0.53732%0.319SS..BIsolated β-bridgetrans-65.3143.5178.673.4-80.3000111.3L115 H116 K148L115-Y118 VanDerWaalsContact O-CD1 3.23Å; L115-Y118 WeakPolarHBondContact O-CD1 3.47Å; H116-Y118 VanDerWaalsContact C-N 3.3Å; H116-Y118 PolarHBondContact O-N 3.3Å; Y118-K148 CarbonylContact C-O 3.58Å; Y118-K148 WeakPolarHBondContact CA-O 3.34Å
119A92.3Very high92.2Very high35 Ų3569.1 Ų69.129%0.28933%0.331SS..  trans-128.725.217300000110.5I72 K148I72-A119 HydrophobicContact CD1-CB 4.08Å; I72-A119 HydrophobicContact CG1-CB 3.94Å; I72-A119 HydrophobicContact CG2-CB 4.34Å; A119-K148 PolarHBondContact N-O 3.41Å
120D88.6Confident92.3Very high12 Ų1272.9 Ų72.96%0.06435%0.35CS..  trans-94.8138.6177.8-151.5-12.8000110.8R122 K148D120-R122 VanDerWaalsContact C-N 3.33Å; D120-R122 WeakPolarHBondContact OD1-CG 3.38Å; D120-R122 PolarHBondContact OD1-N 2.96Å; D120-R122 IonicContact OD1-NE 2.84Å; D120-R122 IonicContact OD2-CZ 2.83Å; D120-R122 IonicContact OD2-NE 2.72Å; D120-R122 PolarHBondContact OD2-NE 2.89Å; D120-R122 IonicContact OD2-NH2 2.78Å; D120-R122 PolarHBondContact OD2-NH2 2.79Å; D120-K148 HydrophobicContact CB-CB 3.91Å; D120-K148 HydrophobicContact CB-CD 4.15Å; D120-K148 HydrophobicContact CB-CG 4.21Å; D120-K148 IonicContact OD1-NZ 3.41Å
121E87.1Confident92.4Very high195 Ų19570.7 Ų70.791%0.91134%0.337SS*.  trans-83.7-15173.7-63.5177.4178.600111.8
122R89.6Confident92.5Very high89 Ų8973 Ų7334%0.33635%0.349SS..  trans-72136.6-178-61.3-177.8-51.8147.114.9111.1D120 K124 I146D120-R122 VanDerWaalsContact C-N 3.33Å; D120-R122 WeakPolarHBondContact OD1-CG 3.38Å; D120-R122 PolarHBondContact OD1-N 2.96Å; D120-R122 IonicContact OD1-NE 2.84Å; D120-R122 IonicContact OD2-CZ 2.83Å; D120-R122 IonicContact OD2-NE 2.72Å; D120-R122 PolarHBondContact OD2-NE 2.89Å; D120-R122 IonicContact OD2-NH2 2.78Å; D120-R122 PolarHBondContact OD2-NH2 2.79Å; R122-K124 VanDerWaalsContact C-N 3.29Å; R122-K124 PolarHBondContact O-N 3.17Å; R122-I146 PolarHBondContact NH2-O 3.09Å
123L83.6Confident92.7Very high177 Ų17771 Ų7193%0.92734%0.339SS*.SBendtrans-70-21.4176.2-61.8175.2000114.2
124K86.5Confident92.8Very high155 Ų15571.7 Ų71.767%0.67434%0.342SS*.  trans-135118.4-178.7-70.2-171.8176.5-172.90110.6R122R122-K124 VanDerWaalsContact C-N 3.29Å; R122-K124 PolarHBondContact O-N 3.17Å
125E88.8Confident92.9Very high31 Ų3173 Ų7315%0.14534%0.343CS..  trans-87.3-32.6-178.7-59171.1142.900112.8I146 F147E125-I146 PolarHBondContact O-N 3.36Å; E125-F147 HydrophobicContact CB-CD1 4.1Å; E125-F147 HydrophobicContact CB-CE1 3.99Å; E125-F147 HydrophobicContact CG-CD1 4.39Å; E125-F147 WeakPolarHBondContact OE2-CE1 3.29Å
126K93.2Very high92.9Very high45 Ų4576.9 Ų76.920%0.19636%0.361CS..BIsolated β-bridgetrans-96.1145.1-172.1-58.5169.7-164.3171.60110.9Y81 I113 W141 P143 A145Y81-K126 VanDerWaalsContact OH-CE 3.23Å; Y81-K126 WeakPolarHBondContact OH-CE 3.33Å; Y81-K126 PolarHBondContact OH-NZ 3.36Å; I113-K126 PolarHBondContact O-NZ 2.74Å; K126-W141 HydrophobicContact CD-CH2 4.25Å; K126-P143 HydrophobicContact CB-CB 4.11Å; K126-P143 HydrophobicContact CB-CG 4.35Å; K126-P143 HydrophobicContact CD-CG 4.18Å; K126-P143 HydrophobicContact CG-CG 4.37Å; K126-A145 HydrophobicContact CG-CB 4.06Å
127R93.7Very high93.1Very high158 Ų15874.3 Ų74.360%0.59635%0.35SS*.PPolyproline II helixtrans-87.6149.4170.7-57.9-65.3-175.3156.8-0.1111V129 P143 P144R127-V129 PolarHBondContact O-N 2.75Å; R127-P143 WeakPolarHBondContact O-CB 3.38Å; R127-P144 HydrophobicContact CB-CG 3.95Å; R127-P144 HydrophobicContact CG-CG 4.19Å; R127-P144 PolarHBondContact N-O 2.89Å
128D91.8Very high93.2Very high137 Ų13779 Ų7973%0.73337%0.366SS*.PPolyproline II helixtrans-71.4120.9179.3-63.8-38.9000110.7
129V95.6Very high93.4Very high45 Ų4572.5 Ų72.527%0.27334%0.34SS..  trans-139.2152.9173.1-600000109.7P105 R127 W141 P143P105-V129 VanDerWaalsContact CD-O 3.31Å; P105-V129 WeakPolarHBondContact CD-O 3.44Å; R127-V129 PolarHBondContact O-N 2.75Å; V129-W141 PolarHBondContact O-NE1 3.27Å; V129-P143 HydrophobicContact CG2-CB 3.91Å
130M96.8Very high93.6Very high96 Ų9674.9 Ų74.947%0.47334%0.344SS..PPolyproline II helixtrans-70.3149.3176.8-57.9-71.1-76.900110.9R102 P104R102-M130 HydrophobicContact CB-CB 4.37Å; R102-M130 HydrophobicContact CB-CE 4.27Å; P104-M130 HydrophobicContact CB-CE 4.4Å; P104-M130 HydrophobicContact CB-SD 3.92Å; P104-M130 HydrophobicContact CG-CE 3.67Å; P104-M130 HydrophobicContact CG-SD 3.76Å
131L97Very high94Very high1 Ų175.4 Ų75.41%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-86.7146.5171-57.793.1000109.8W83 R102 I103 P104 P105 I108 T110 V133 V139 W141W83-L131 HydrophobicContact CH2-CD2 3.4Å; W83-L131 VanDerWaalsContact CH2-CD2 3.4Å; W83-L131 HydrophobicContact CZ2-CD2 3.9Å; W83-L131 HydrophobicContact CZ3-CD2 4.38Å; R102-L131 VanDerWaalsContact CA-O 3.27Å; R102-L131 WeakPolarHBondContact CA-O 3.21Å; I103-L131 PolarHBondContact N-O 3.47Å; I103-L131 WeakPolarHBondContact O-CD1 3.41Å; I103-L131 PolarHBondContact O-N 2.84Å; P104-L131 VanDerWaalsContact C-CD1 3.47Å; P105-L131 HydrophobicContact CB-CD1 3.61Å; P105-L131 HydrophobicContact CG-CD1 4.19Å; I108-L131 HydrophobicContact CD1-CD1 4.22Å; I108-L131 HydrophobicContact CD1-CD2 4.03Å; T110-L131 HydrophobicContact CG2-CD2 4.35Å; L131-V133 HydrophobicContact CB-CG2 4.45Å; L131-V139 HydrophobicContact CB-CG1 4.06Å; L131-V139 HydrophobicContact CD2-CG1 3.45Å; L131-V139 VanDerWaalsContact CD2-CG1 3.45Å; L131-V139 HydrophobicContact CG-CG1 4.35Å; L131-W141 HydrophobicContact CD2-CB 3.79Å; L131-W141 HydrophobicContact CD2-CD2 4.41Å; L131-W141 HydrophobicContact CD2-CG 3.89Å; L131-W141 HydrophobicContact CG-CB 4.02Å; L131-W141 HydrophobicContact CG-CG 3.89Å
132N97.5Very high94.5Very high51 Ų5167.3 Ų67.327%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-95.7123.6166-166.128000108.7E100 F140E100-N132 PolarHBondContact OE2-ND2 3.34Å; N132-F140 PolarHBondContact N-O 3.02Å; N132-F140 PolarHBondContact O-N 3.3Å
133V97.6Very high94.9Very high0 Ų063 Ų630%029%0.294CS..EExtended strand (participates in β ladder)trans-118.3127.5179.7-174.30000108.4L88 W90 E100 V101 I103 L131 R138 V139L88-V133 HydrophobicContact CB-CG1 3.96Å; L88-V133 HydrophobicContact CD1-CG1 4.16Å; L88-V133 HydrophobicContact CD1-CG2 4.35Å; W90-V133 HydrophobicContact CH2-CG1 4.49Å; W90-V133 WeakPolarHBondContact CH2-O 3.29Å; W90-V133 HydrophobicContact CZ3-CG1 4.1Å; E100-V133 CarbonylContact C-O 3.56Å; E100-V133 VanDerWaalsContact CA-O 3.25Å; E100-V133 WeakPolarHBondContact CA-O 3.49Å; V101-V133 HydrophobicContact CG2-CB 4.15Å; V101-V133 PolarHBondContact N-O 3.48Å; V101-V133 PolarHBondContact O-N 2.92Å; I103-V133 HydrophobicContact CB-CG2 4.35Å; I103-V133 HydrophobicContact CD1-CB 4.44Å; I103-V133 HydrophobicContact CD1-CG2 4.06Å; I103-V133 HydrophobicContact CG1-CG2 4.32Å; L131-V133 HydrophobicContact CB-CG2 4.45Å; V133-R138 WeakPolarHBondContact CA-O 3.26Å; V133-V139 HydrophobicContact CG1-CG2 4.2Å; V133-V139 HydrophobicContact CG2-CG1 4.23Å; V133-V139 HydrophobicContact CG2-CG2 4.12Å
134D97Very high95.5Very high15 Ų1556 Ų568%0.0826%0.259CS..EExtended strand (participates in β ladder)trans-92.7155.3176.617630.2000111W90 R99 M136 G137 R138W90-D134 WeakPolarHBondContact CZ3-O 3.41Å; R99-D134 CarbonylContact O-C 3.59Å; R99-D134 WeakPolarHBondContact O-CA 3.33Å; D134-M136 PolarHBondContact O-N 3.19Å; D134-G137 WeakPolarHBondContact O-CA 3.38Å; D134-G137 PolarHBondContact O-N 2.99Å; D134-R138 HydrophobicContact CB-CB 4.19Å; D134-R138 PolarHBondContact N-O 3.42Å; D134-R138 IonicContact OD2-CZ 3.9Å; D134-R138 VanDerWaalsContact OD2-CZ 3.28Å; D134-R138 IonicContact OD2-NE 3.31Å; D134-R138 PolarHBondContact OD2-NE 3.48Å; D134-R138 IonicContact OD2-NH2 2.99Å; D134-R138 PolarHBondContact OD2-NH2 3.23Å
135Y96.9Very high95.9Very high73 Ų7348.7 Ų48.729%0.28623%0.227SC..THydrogen-bonded Turntrans-59.3-23.6-176.375.6-86.7000113.8W90 P92 R99 G137W90-Y135 VanDerWaalsContact CH2-CA 3.45Å; W90-Y135 VanDerWaalsContact CH2-N 3.29Å; W90-Y135 VanDerWaalsContact CZ2-CA 3.5Å; W90-Y135 PolarHBondContact N-O 3.02Å; P92-Y135 HydrophobicContact CG-CD1 4.08Å; P92-Y135 HydrophobicContact CG-CD2 3.73Å; P92-Y135 HydrophobicContact CG-CE2 4.35Å; P92-Y135 HydrophobicContact CG-CG 3.58Å; R99-Y135 HydrophobicContact CB-CD1 3.99Å; R99-Y135 HydrophobicContact CG-CD1 4.18Å; R99-Y135 HydrophobicContact CG-CE1 4.45Å; R99-Y135 PolarHBondContact O-N 3.49Å; Y135-G137 PolarHBondContact O-N 3.4Å
136M96.8Very high96.3Very high84 Ų8449.3 Ų49.341%0.41423%0.231SC..THydrogen-bonded Turntrans-74.7-4.7172.8-61.9-164.8176.800114R89 D134R89-M136 PolarHBondContact NE-O 3.44Å; D134-M136 PolarHBondContact O-N 3.19Å
137G95.3Very high96.5Very high0 Ų047.2 Ų47.20%022%0.222CC..SBendtrans82.313-173.200000113.8I84 D85 L88 D134 Y135 V139I84-G137 CarbonylContact C-O 3.54Å; I84-G137 WeakPolarHBondContact CA-O 3.37Å; D85-G137 PolarHBondContact N-O 3.12Å; D85-G137 WeakPolarHBondContact O-CA 3.42Å; L88-G137 VanDerWaalsContact O-CA 3.25Å; L88-G137 WeakPolarHBondContact O-CA 3.47Å; D134-G137 WeakPolarHBondContact O-CA 3.38Å; D134-G137 PolarHBondContact O-N 2.99Å; Y135-G137 PolarHBondContact O-N 3.4Å; G137-V139 PolarHBondContact O-N 3.42Å
138R97.3Very high96.6Very high124 Ų12442.9 Ų42.947%0.46821%0.208SC..EExtended strand (participates in β ladder)trans-75123.4172.7-67.3-179.3-67.3-175.4-0.1108.7I84 V133 D134I84-R138 HydrophobicContact CG1-CG 4.14Å; V133-R138 WeakPolarHBondContact CA-O 3.26Å; D134-R138 HydrophobicContact CB-CB 4.19Å; D134-R138 PolarHBondContact N-O 3.42Å; D134-R138 IonicContact OD2-CZ 3.9Å; D134-R138 VanDerWaalsContact OD2-CZ 3.28Å; D134-R138 IonicContact OD2-NE 3.31Å; D134-R138 PolarHBondContact OD2-NE 3.48Å; D134-R138 IonicContact OD2-NH2 2.99Å; D134-R138 PolarHBondContact OD2-NH2 3.23Å
139V97.7Very high96.8Very high0 Ų036.4 Ų36.40%017%0.173CC..EExtended strand (participates in β ladder)trans-108125.3179.7-176.90000108.3T82 W83 D85 L88 L131 V133 G137T82-V139 VanDerWaalsContact CA-O 3.27Å; T82-V139 WeakPolarHBondContact CA-O 3.42Å; W83-V139 HydrophobicContact CD2-CB 3.94Å; W83-V139 HydrophobicContact CD2-CG1 4.27Å; W83-V139 HydrophobicContact CE3-CB 4.31Å; W83-V139 HydrophobicContact CE3-CG1 4.33Å; W83-V139 HydrophobicContact CG-CB 4.47Å; W83-V139 HydrophobicContact CH2-CB 4.29Å; W83-V139 HydrophobicContact CH2-CG1 3.55Å; W83-V139 HydrophobicContact CZ2-CB 3.89Å; W83-V139 HydrophobicContact CZ2-CG1 3.43Å; W83-V139 VanDerWaalsContact CZ2-CG1 3.43Å; W83-V139 HydrophobicContact CZ2-CG2 4.36Å; W83-V139 HydrophobicContact CZ3-CB 4.47Å; W83-V139 HydrophobicContact CZ3-CG1 3.99Å; W83-V139 PolarHBondContact N-O 2.74Å; W83-V139 VanDerWaalsContact N-O 3.11Å; W83-V139 PolarHBondContact O-N 3.47Å; D85-V139 HydrophobicContact CB-CG2 3.92Å; L88-V139 HydrophobicContact CD1-CG2 4.15Å; L131-V139 HydrophobicContact CB-CG1 4.06Å; L131-V139 HydrophobicContact CD2-CG1 3.45Å; L131-V139 VanDerWaalsContact CD2-CG1 3.45Å; L131-V139 HydrophobicContact CG-CG1 4.35Å; V133-V139 HydrophobicContact CG1-CG2 4.2Å; V133-V139 HydrophobicContact CG2-CG1 4.23Å; V133-V139 HydrophobicContact CG2-CG2 4.12Å; G137-V139 PolarHBondContact O-N 3.42Å
140F97.7Very high96.7Very high85 Ų8538 Ų3837%0.37318%0.18SC..EExtended strand (participates in β ladder)trans-113.4129.8171.5179.1-102.6000110K80 Y81 N132K80-F140 HydrophobicContact CB-CE2 4.37Å; K80-F140 HydrophobicContact CG-CZ 4.43Å; Y81-F140 WeakPolarHBondContact O-CA 3.37Å; Y81-F140 WeakPolarHBondContact O-CD2 3.48Å; N132-F140 PolarHBondContact N-O 3.02Å; N132-F140 PolarHBondContact O-N 3.3Å
141W97.4Very high96.6Very high22 Ų2233.4 Ų33.48%0.08316%0.157CC..EExtended strand (participates in β ladder)trans-136.5126.9179.6-175.343.7000109.9Y81 W83 P105 K126 V129 L131 P143Y81-W141 HydrophobicContact CD2-CD2 4.19Å; Y81-W141 AromaticContact CD2-CE3 3.55Å; Y81-W141 HydrophobicContact CD2-CE3 3.55Å; Y81-W141 HydrophobicContact CD2-CZ3 4.15Å; Y81-W141 WeakPolarHBondContact CD2-O 3.26Å; Y81-W141 AromaticContact CE2-CE3 3.9Å; Y81-W141 HydrophobicContact CE2-CE3 3.9Å; Y81-W141 HydrophobicContact CE2-CZ3 4.04Å; Y81-W141 AromaticContact CG-CE3 3.97Å; Y81-W141 HydrophobicContact CG-CE3 3.97Å; Y81-W141 PolarHBondContact N-O 2.85Å; Y81-W141 PolarHBondContact O-N 3.46Å; W83-W141 HydrophobicContact CH2-CB 4.28Å; W83-W141 HydrophobicContact CZ3-CB 4.07Å; P105-W141 HydrophobicContact CB-CZ2 4.39Å; K126-W141 HydrophobicContact CD-CH2 4.25Å; V129-W141 PolarHBondContact O-NE1 3.27Å; L131-W141 HydrophobicContact CD2-CB 3.79Å; L131-W141 HydrophobicContact CD2-CD2 4.41Å; L131-W141 HydrophobicContact CD2-CG 3.89Å; L131-W141 HydrophobicContact CG-CB 4.02Å; L131-W141 HydrophobicContact CG-CG 3.89Å; W141-P143 HydrophobicContact CD2-CG 4.07Å; W141-P143 HydrophobicContact CE3-CG 4.46Å; W141-P143 HydrophobicContact CH2-CG 4.25Å; W141-P143 HydrophobicContact CZ2-CB 4.26Å; W141-P143 HydrophobicContact CZ2-CG 3.82Å
142S96.7Very high96.3Very high25 Ų2536 Ų3618%0.17517%0.174CC..  trans-135.571.6-179.2-165.70000112.3A79 K80A79-S142 VanDerWaalsContact O-CA 3.31Å; A79-S142 WeakPolarHBondContact O-CA 3.49Å; K80-S142 WeakPolarHBondContact CG-OG 3.29Å
143P97.1Very high95.9Very high0 Ų034.6 Ų34.60%017%0.166CC..  trans-67.6138.2173.527.6-35.6000111.4A79 Y81 K126 R127 V129 W141A79-P143 HydrophobicContact CB-CG 4.5Å; A79-P143 PolarHBondContact N-O 2.95Å; A79-P143 VanDerWaalsContact N-O 3.1Å; A79-P143 VanDerWaalsContact O-CD 3.23Å; A79-P143 WeakPolarHBondContact O-CD 3.31Å; Y81-P143 HydrophobicContact CE2-CG 4.08Å; K126-P143 HydrophobicContact CB-CB 4.11Å; K126-P143 HydrophobicContact CB-CG 4.35Å; K126-P143 HydrophobicContact CD-CG 4.18Å; K126-P143 HydrophobicContact CG-CG 4.37Å; R127-P143 WeakPolarHBondContact O-CB 3.38Å; V129-P143 HydrophobicContact CG2-CB 3.91Å; W141-P143 HydrophobicContact CD2-CG 4.07Å; W141-P143 HydrophobicContact CE3-CG 4.46Å; W141-P143 HydrophobicContact CH2-CG 4.25Å; W141-P143 HydrophobicContact CZ2-CB 4.26Å; W141-P143 HydrophobicContact CZ2-CG 3.82Å
144P96.8Very high95.4Very high29 Ų2937.1 Ų37.119%0.18818%0.18CC..EExtended strand (participates in β ladder)trans-69.5135.6163.923.8-20.6000108.8W78 R127W78-P144 HydrophobicContact CD2-CB 4.45Å; W78-P144 HydrophobicContact CE3-CB 3.76Å; W78-P144 HydrophobicContact CE3-CG 4.2Å; W78-P144 HydrophobicContact CH2-CB 4.03Å; W78-P144 HydrophobicContact CH2-CG 4.15Å; W78-P144 HydrophobicContact CZ3-CB 3.54Å; W78-P144 HydrophobicContact CZ3-CG 3.58Å; R127-P144 HydrophobicContact CB-CG 3.95Å; R127-P144 HydrophobicContact CG-CG 4.19Å; R127-P144 PolarHBondContact N-O 2.89Å
145A96Very high95Very high1 Ų136.6 Ų36.61%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-135.4141.8-176.400000110.5V77 K126 F147V77-A145 HydrophobicContact CG2-CB 4.29Å; V77-A145 PolarHBondContact N-O 2.89Å; V77-A145 PolarHBondContact O-N 2.95Å; K126-A145 HydrophobicContact CG-CB 4.06Å; A145-F147 HydrophobicContact CB-CD2 4.21Å; A145-F147 HydrophobicContact CB-CE1 4.16Å; A145-F147 HydrophobicContact CB-CE2 3.68Å; A145-F147 HydrophobicContact CB-CZ 3.65Å
146I96.3Very high94.6Very high45 Ų4536.6 Ų36.623%0.23118%0.178CC..EExtended strand (participates in β ladder)trans-104.8115.2165.1-63172.9000105.8L64 T74 I75 R122 E125L64-I146 HydrophobicContact CD1-CD1 4.36Å; L64-I146 HydrophobicContact CD1-CG1 4.35Å; L64-I146 HydrophobicContact CD1-CG2 4.09Å; T74-I146 HydrophobicContact CG2-CG2 3.78Å; I75-I146 WeakPolarHBondContact O-CA 3.45Å; R122-I146 PolarHBondContact NH2-O 3.09Å; E125-I146 PolarHBondContact O-N 3.36Å
147F96.8Very high94.2Very high0 Ų034.6 Ų34.60%017%0.169CC..EExtended strand (participates in β ladder)trans-103.7135.4176.3-68.5-58.4000109.8L58 T74 I75 V77 A79 L115 E125 A145 L167 F169L58-F147 HydrophobicContact CD2-CE2 4.21Å; T74-F147 WeakPolarHBondContact CA-O 3.12Å; I75-F147 HydrophobicContact CG1-CB 4.15Å; I75-F147 PolarHBondContact N-O 3.28Å; I75-F147 PolarHBondContact O-N 3.33Å; V77-F147 HydrophobicContact CG2-CD2 3.39Å; V77-F147 HydrophobicContact CG2-CE2 3.44Å; V77-F147 VanDerWaalsContact CG2-CE2 3.44Å; A79-F147 HydrophobicContact CB-CE2 4.29Å; A79-F147 HydrophobicContact CB-CZ 4.32Å; L115-F147 HydrophobicContact CB-CD1 4.49Å; L115-F147 HydrophobicContact CD2-CB 4.08Å; L115-F147 HydrophobicContact CD2-CD1 4.15Å; L115-F147 HydrophobicContact CD2-CG 4.38Å; E125-F147 HydrophobicContact CB-CD1 4.1Å; E125-F147 HydrophobicContact CB-CE1 3.99Å; E125-F147 HydrophobicContact CG-CD1 4.39Å; E125-F147 WeakPolarHBondContact OE2-CE1 3.29Å; A145-F147 HydrophobicContact CB-CD2 4.21Å; A145-F147 HydrophobicContact CB-CE1 4.16Å; A145-F147 HydrophobicContact CB-CE2 3.68Å; A145-F147 HydrophobicContact CB-CZ 3.65Å; F147-L167 HydrophobicContact CB-CD2 3.92Å; F147-F169 HydrophobicContact CD1-CE1 4.32Å; F147-F169 HydrophobicContact CD1-CZ 4.36Å; F147-F169 HydrophobicContact CD2-CE1 4.36Å; F147-F169 AromaticContact CD2-CZ 3.8Å; F147-F169 HydrophobicContact CD2-CZ 3.8Å; F147-F169 AromaticContact CE1-CE1 3.84Å; F147-F169 HydrophobicContact CE1-CE1 3.84Å; F147-F169 HydrophobicContact CE1-CZ 4.23Å; F147-F169 AromaticContact CE2-CE1 3.88Å; F147-F169 HydrophobicContact CE2-CE1 3.88Å; F147-F169 AromaticContact CE2-CZ 3.64Å; F147-F169 HydrophobicContact CE2-CZ 3.64Å; F147-F169 HydrophobicContact CG-CZ 4.18Å; F147-F169 AromaticContact CZ-CE1 3.61Å; F147-F169 HydrophobicContact CZ-CE1 3.61Å; F147-F169 AromaticContact CZ-CZ 3.87Å; F147-F169 HydrophobicContact CZ-CZ 3.87Å
148K96.6Very high93.9Very high68 Ų6835 Ų3530%0.29617%0.171SC..EExtended strand (participates in β ladder)trans-113.2118.4167.4-60.5-172.1179.8175.80108.9I72 L73 T74 Y118 A119 D120I72-K148 HydrophobicContact CG2-CB 3.88Å; I72-K148 HydrophobicContact CG2-CD 4.33Å; I72-K148 HydrophobicContact CG2-CG 4.38Å; L73-K148 CarbonylContact O-C 3.53Å; L73-K148 VanDerWaalsContact O-CA 3.26Å; L73-K148 WeakPolarHBondContact O-CA 3.3Å; T74-K148 HydrophobicContact CG2-CG 4.04Å; Y118-K148 CarbonylContact C-O 3.58Å; Y118-K148 WeakPolarHBondContact CA-O 3.34Å; A119-K148 PolarHBondContact N-O 3.41Å; D120-K148 HydrophobicContact CB-CB 3.91Å; D120-K148 HydrophobicContact CB-CD 4.15Å; D120-K148 HydrophobicContact CB-CG 4.21Å; D120-K148 IonicContact OD1-NZ 3.41Å
149S96.3Very high93.5Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-119145.3179.958.90000111L73 N117 C151L73-S149 PolarHBondContact N-O 3.42Å; L73-S149 PolarHBondContact O-N 3.07Å; N117-S149 WeakPolarHBondContact O-CA 3.32Å; S149-C151 PolarHBondContact O-N 3.04Å
150N94.2Very high93.1Very high79 Ų7932.5 Ų32.542%0.42216%0.164SC..EExtended strand (participates in β ladder)trans-62.1126.8167-177.713.9000109.8Q71 N117Q71-N150 PolarHBondContact O-OD1 2.67Å; N117-N150 PolarHBondContact ND2-O 3.41Å; N117-N150 PolarHBondContact O-N 3.28Å
151C93.9Very high92.7Very high0 Ų028.6 Ų28.60%015%0.147CC..  trans-127.1115.7177.6178.40000110.7L66 Q71 L73 S149 I153 C165L66-C151 HydrophobicContact CD1-CB 4.24Å; Q71-C151 WeakPolarHBondContact CB-O 3.33Å; Q71-C151 PolarHBondContact O-N 3.04Å; L73-C151 HydrophobicContact CB-CB 4Å; S149-C151 PolarHBondContact O-N 3.04Å; C151-I153 HydrophobicContact CB-CD1 4.43Å; C151-I153 WeakPolarHBondContact O-CG1 3.26Å; C151-I153 PolarHBondContact O-N 3.47Å; C151-C165 HydrophobicContact CB-CB 3.7Å; C151-C165 WeakPolarHBondContact CB-SG 3.47Å; C151-C165 WeakPolarHBondContact SG-CA 3.33Å; C151-C165 WeakPolarHBondContact SG-CB 3.27Å; C151-C165 CovalentContact SG-SG 2.03Å; C151-C165 PolarHBondContact SG-SG 3.15Å
152P90.2Very high92.4Very high55 Ų5532.3 Ų32.336%0.35716%0.162SC..  trans-67.712317628.3-32.8000110.5F166P152-F166 HydrophobicContact CG-CE1 4.33Å
153I89.6Confident92.2Very high21 Ų2131.2 Ų31.211%0.10815%0.154CC..  trans-100.3130.4-176.4-53.1-60.9000110.7L66 E68 Q71 C151 I155L66-I153 HydrophobicContact CD1-CD1 3.89Å; L66-I153 HydrophobicContact CD2-CD1 4.13Å; L66-I153 HydrophobicContact CG-CD1 4.12Å; E68-I153 HydrophobicContact CB-CG1 4.47Å; E68-I153 HydrophobicContact CB-CG2 4.23Å; E68-I153 HydrophobicContact CG-CG2 4.24Å; Q71-I153 HydrophobicContact CB-CG1 4.47Å; Q71-I153 HydrophobicContact CG-CG1 4.16Å; C151-I153 HydrophobicContact CB-CD1 4.43Å; C151-I153 WeakPolarHBondContact O-CG1 3.26Å; C151-I153 PolarHBondContact O-N 3.47Å; I153-I155 HydrophobicContact CG2-CG2 3.66Å
154D87.3Confident92Very high53 Ų5333.5 Ų33.528%0.28317%0.165SC..  trans-107.2110.4169.5-170.6-12.9000110.8K156 Q163D154-K156 WeakPolarHBondContact OD1-CB 3.36Å; D154-K156 WeakPolarHBondContact OD1-CD 3.46Å; D154-K156 WeakPolarHBondContact OD1-CG 3.45Å; D154-K156 PolarHBondContact OD1-N 2.9Å; D154-K156 IonicContact OD1-NZ 3.8Å; D154-K156 IonicContact OD2-NZ 3.38Å; D154-K156 PolarHBondContact OD2-NZ 3.43Å; D154-Q163 PolarHBondContact O-NE2 2.97Å
155I88.5Confident91.9Very high4 Ų432.1 Ų32.12%0.02116%0.156CC..  trans-98.46.5-176.864.7173.1000114.7I153 N157 F158 T288 P289 S292 P296I153-I155 HydrophobicContact CG2-CG2 3.66Å; I155-N157 VanDerWaalsContact C-N 3.28Å; I155-N157 PolarHBondContact O-N 2.73Å; I155-N157 VanDerWaalsContact O-N 3.16Å; I155-F158 HydrophobicContact CB-CB 4.48Å; I155-F158 VanDerWaalsContact O-CB 3.31Å; I155-F158 WeakPolarHBondContact O-CB 3.25Å; I155-F158 PolarHBondContact O-N 2.9Å; I155-F158 VanDerWaalsContact O-N 3.11Å; I155-T288 HydrophobicContact CD1-CG2 3.98Å; I155-P289 HydrophobicContact CD1-CG 4.29Å; I155-P289 HydrophobicContact CG2-CG 4.13Å; I155-S292 VanDerWaalsContact CD1-OG 3.27Å; I155-S292 WeakPolarHBondContact CD1-OG 3.43Å; I155-P296 WeakPolarHBondContact O-CB 3.09Å
156K87.9Confident91.9Very high73 Ų7333.5 Ų33.532%0.31716%0.162SC..THydrogen-bonded Turntrans-49.1-48.1-175.2-76.2166.8-161.7138.40113.5D154 I294 Y297D154-K156 WeakPolarHBondContact OD1-CB 3.36Å; D154-K156 WeakPolarHBondContact OD1-CD 3.46Å; D154-K156 WeakPolarHBondContact OD1-CG 3.45Å; D154-K156 PolarHBondContact OD1-N 2.9Å; D154-K156 IonicContact OD1-NZ 3.8Å; D154-K156 IonicContact OD2-NZ 3.38Å; D154-K156 PolarHBondContact OD2-NZ 3.43Å; K156-I294 HydrophobicContact CD-CG2 4.41Å; K156-I294 HydrophobicContact CG-CG2 3.47Å; K156-I294 VanDerWaalsContact CG-CG2 3.47Å; K156-Y297 HydrophobicContact CB-CE2 4.29Å; K156-Y297 WeakPolarHBondContact O-CD2 3.45Å; K156-Y297 PolarHBondContact O-N 3.17Å
157N88.4Confident92Very high42 Ų4231.4 Ų31.423%0.22515%0.151CC..THydrogen-bonded Turntrans-98.715.4-174.1-63.7-47.7000113.5I155 F160 Y297 G578I155-N157 VanDerWaalsContact C-N 3.28Å; I155-N157 PolarHBondContact O-N 2.73Å; I155-N157 VanDerWaalsContact O-N 3.16Å; N157-F160 CarbonylContact O-C 3.36Å; N157-F160 WeakPolarHBondContact O-CA 3.49Å; N157-F160 PolarHBondContact O-N 3.3Å; N157-Y297 WeakPolarHBondContact OD1-CE2 3.28Å; N157-G578 VanDerWaalsContact ND2-CA 3.35Å; N157-G578 WeakPolarHBondContact ND2-CA 3.37Å
158F88.8Confident91.9Very high9 Ų933.6 Ų33.64%0.03916%0.16CC..THydrogen-bonded Turntrans-52.5133.1179.5-178.5-87.1000111.5I155 R233 Y238 L242 L284 P296I155-F158 HydrophobicContact CB-CB 4.48Å; I155-F158 VanDerWaalsContact O-CB 3.31Å; I155-F158 WeakPolarHBondContact O-CB 3.25Å; I155-F158 PolarHBondContact O-N 2.9Å; I155-F158 VanDerWaalsContact O-N 3.11Å; F158-R233 VanDerWaalsContact CE2-CZ 3.5Å; F158-Y238 HydrophobicContact CE1-CD1 4.3Å; F158-Y238 AromaticContact CZ-CD1 3.73Å; F158-Y238 HydrophobicContact CZ-CD1 3.73Å; F158-Y238 HydrophobicContact CZ-CD2 4.48Å; F158-Y238 AromaticContact CZ-CE1 3.92Å; F158-Y238 HydrophobicContact CZ-CE1 3.92Å; F158-Y238 HydrophobicContact CZ-CG 4.02Å; F158-L242 HydrophobicContact CE1-CD1 3.76Å; F158-L242 HydrophobicContact CZ-CD1 4.46Å; F158-L284 HydrophobicContact CD1-CD1 3.86Å; F158-L284 HydrophobicContact CE1-CD1 3.85Å; F158-P296 HydrophobicContact CB-CB 4.18Å
159P89.6Confident91.9Very high3 Ų330.3 Ų30.32%0.01915%0.146CC..THydrogen-bonded Turncis-94.812.65.338.2-37.2000115D161 P235 Y238P159-D161 VanDerWaalsContact C-N 3.29Å; P159-D161 PolarHBondContact O-N 3.03Å; P159-P235 HydrophobicContact CG-CB 4.43Å; P159-Y238 HydrophobicContact CB-CD2 4.42Å; P159-Y238 HydrophobicContact CB-CG 4.21Å
160F89.2Confident91.9Very high68 Ų6830.3 Ų30.330%0.29815%0.146SC..SBendtrans-96.545178.7-52.3-75.4000111.1N157 P235 P576N157-F160 CarbonylContact O-C 3.36Å; N157-F160 WeakPolarHBondContact O-CA 3.49Å; N157-F160 PolarHBondContact O-N 3.3Å; F160-P235 HydrophobicContact CD1-CB 3.52Å; F160-P235 HydrophobicContact CD1-CG 3.77Å; F160-P235 HydrophobicContact CE1-CB 3.5Å; F160-P235 VanDerWaalsContact CE1-CB 3.5Å; F160-P235 HydrophobicContact CE1-CG 3.76Å; F160-P235 HydrophobicContact CG-CB 4.48Å; F160-P235 HydrophobicContact CZ-CB 4.44Å; F160-P576 HydrophobicContact CB-CB 4.08Å; F160-P576 HydrophobicContact CB-CG 4.17Å
161D89.3Confident92Very high4 Ų426.7 Ų26.72%0.02113%0.127CC..  trans-97.3156.3-171.457.8-37.6000113.4P159 Q163 R233P159-D161 VanDerWaalsContact C-N 3.29Å; P159-D161 PolarHBondContact O-N 3.03Å; D161-Q163 PolarHBondContact OD2-NE2 3.3Å; D161-R233 PolarHBondContact O-N 3.42Å; D161-R233 WeakPolarHBondContact OD1-CB 3.36Å; D161-R233 WeakPolarHBondContact OD1-CD 3.11Å; D161-R233 IonicContact OD1-CZ 2.95Å; D161-R233 IonicContact OD1-NE 2.71Å; D161-R233 PolarHBondContact OD1-NE 2.95Å; D161-R233 IonicContact OD1-NH2 3.88Å; D161-R233 IonicContact OD2-CZ 3.94Å; D161-R233 IonicContact OD2-NE 2.69Å; D161-R233 PolarHBondContact OD2-NE 3.1Å; D161-R233 IonicContact OD2-NH2 3.79Å; D161-R233 PolarHBondContact OD2-NH2 3.27Å
162Y90.9Very high91.8Very high99 Ų9934.8 Ų34.839%0.38816%0.157SC..EExtended strand (participates in β ladder)trans-118.1132.7169.4-68.2-96.2000107.7V204 L231 K232Y162-V204 HydrophobicContact CE1-CG2 4.41Å; Y162-L231 CarbonylContact C-O 3.58Å; Y162-L231 WeakPolarHBondContact CA-O 3.34Å; Y162-K232 HydrophobicContact CD1-CB 3.75Å; Y162-K232 HydrophobicContact CD1-CG 4.07Å; Y162-K232 HydrophobicContact CE1-CB 3.69Å; Y162-K232 HydrophobicContact CE1-CD 3.64Å; Y162-K232 HydrophobicContact CE1-CG 3.66Å
163Q92.6Very high91.9Very high2 Ų236.6 Ų36.61%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-114.1145177.7-56.4-55.5-24.200109.8L66 D154 D161 W201 L231L66-Q163 HydrophobicContact CD2-CB 4.11Å; L66-Q163 HydrophobicContact CD2-CG 4.09Å; D154-Q163 PolarHBondContact O-NE2 2.97Å; D161-Q163 PolarHBondContact OD2-NE2 3.3Å; Q163-W201 HydrophobicContact CB-CZ3 4.36Å; Q163-W201 HydrophobicContact CG-CH2 3.75Å; Q163-W201 HydrophobicContact CG-CZ3 3.76Å; Q163-L231 HydrophobicContact CB-CB 4.47Å; Q163-L231 PolarHBondContact N-O 3.02Å; Q163-L231 PolarHBondContact O-N 3.24Å
164H92.6Very high92.1Very high48 Ų4837.6 Ų37.622%0.22217%0.171CC..EExtended strand (participates in β ladder)trans-129.9105.4177.855.1-81.3000109F230 I586H164-F230 HydrophobicContact CB-CD1 4.12Å; H164-F230 HydrophobicContact CB-CE1 4.16Å; H164-I586 HydrophobicContact CB-CD1 3.79Å; H164-I586 VanDerWaalsContact CG-CD1 3.41Å
165C95.8Very high92.4Very high0 Ų035.6 Ų35.60%016%0.16CC..EExtended strand (participates in β ladder)trans-103.9156178-56.60000109.8L73 C151 F228 L229L73-C165 HydrophobicContact CB-CB 4.35Å; L73-C165 HydrophobicContact CD2-CB 3.5Å; L73-C165 HydrophobicContact CG-CB 4.4Å; C151-C165 HydrophobicContact CB-CB 3.7Å; C151-C165 WeakPolarHBondContact CB-SG 3.47Å; C151-C165 WeakPolarHBondContact SG-CA 3.33Å; C151-C165 WeakPolarHBondContact SG-CB 3.27Å; C151-C165 CovalentContact SG-SG 2.03Å; C151-C165 PolarHBondContact SG-SG 3.15Å; C165-F228 CarbonylContact O-C 3.54Å; C165-F228 WeakPolarHBondContact O-CA 3.45Å; C165-L229 PolarHBondContact N-O 3.46Å; C165-L229 PolarHBondContact O-N 3.43Å
166F95.7Very high92.6Very high31 Ų3136.4 Ų36.414%0.13617%0.166CC..EExtended strand (participates in β ladder)trans-139.1150.1176.660.8-95.6000111.5N117 P152 K168 T226 F227 F228 H590N117-F166 HydrophobicContact CB-CE2 4.48Å; N117-F166 WeakPolarHBondContact ND2-CE2 3.27Å; N117-F166 PolarHBondContact ND2-O 3.02Å; P152-F166 HydrophobicContact CG-CE1 4.33Å; F166-K168 HydrophobicContact CD2-CD 4.21Å; F166-K168 HydrophobicContact CD2-CG 3.75Å; F166-K168 HydrophobicContact CE2-CD 4.01Å; F166-K168 VanDerWaalsContact CE2-CE 3.43Å; F166-K168 HydrophobicContact CE2-CG 4.01Å; F166-T226 HydrophobicContact CB-CG2 3.96Å; F166-T226 HydrophobicContact CD2-CG2 4.44Å; F166-F227 CarbonylContact C-O 3.31Å; F166-F227 VanDerWaalsContact CA-O 3.24Å; F166-F227 WeakPolarHBondContact CA-O 3.44Å; F166-F228 HydrophobicContact CB-CD1 3.71Å; F166-F228 HydrophobicContact CB-CE1 3.82Å; F166-F228 HydrophobicContact CB-CG 4.41Å; F166-F228 HydrophobicContact CG-CE1 4.4Å; F166-H590 AromaticContact CD1-NE2 3.34Å; F166-H590 VanDerWaalsContact CD1-NE2 3.34Å; F166-H590 WeakPolarHBondContact CD1-NE2 3.43Å; F166-H590 AromaticContact CE1-NE2 3.41Å; F166-H590 WeakPolarHBondContact CE1-NE2 3.3Å
167L96.8Very high92.8Very high1 Ų139.3 Ų39.31%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-122.6121.8174.2-6398.7000109.3L73 I75 L115 F147 F169 T226 F227 L229L73-L167 HydrophobicContact CD2-CD1 4.21Å; I75-L167 HydrophobicContact CD1-CD1 3.77Å; I75-L167 HydrophobicContact CD1-CD2 3.55Å; I75-L167 HydrophobicContact CD1-CG 4.33Å; I75-L167 HydrophobicContact CG1-CD2 4.2Å; L115-L167 HydrophobicContact CD1-CB 3.78Å; L115-L167 HydrophobicContact CD1-CD2 4.17Å; L115-L167 HydrophobicContact CD1-CG 4.36Å; L115-L167 HydrophobicContact CD2-CD2 4.39Å; F147-L167 HydrophobicContact CB-CD2 3.92Å; L167-F169 HydrophobicContact CB-CD2 4.29Å; L167-F169 HydrophobicContact CB-CE2 3.59Å; L167-F169 HydrophobicContact CB-CZ 4.33Å; L167-F169 HydrophobicContact CD2-CE2 4.25Å; L167-F169 HydrophobicContact CD2-CZ 4.27Å; L167-T226 CarbonylContact O-C 3.51Å; L167-T226 VanDerWaalsContact O-CA 3.3Å; L167-T226 WeakPolarHBondContact O-CA 3.3Å; L167-F227 PolarHBondContact N-O 3.02Å; L167-F227 PolarHBondContact O-N 2.93Å; L167-L229 HydrophobicContact CD1-CD1 4.14Å
168K96Very high93Very high45 Ų4540.8 Ų40.820%0.19619%0.186CC..EExtended strand (participates in β ladder)trans-103.4112.4-177.1-58.4-168.8169.3-165.20110.9L115 H116 N117 F166 T226 Y594L115-K168 CarbonylContact C-O 3.54Å; L115-K168 WeakPolarHBondContact CA-O 3.44Å; H116-K168 HydrophobicContact CB-CB 4.27Å; H116-K168 PolarHBondContact N-O 3.47Å; N117-K168 PolarHBondContact OD1-N 3.2Å; F166-K168 HydrophobicContact CD2-CD 4.21Å; F166-K168 HydrophobicContact CD2-CG 3.75Å; F166-K168 HydrophobicContact CE2-CD 4.01Å; F166-K168 VanDerWaalsContact CE2-CE 3.43Å; F166-K168 HydrophobicContact CE2-CG 4.01Å; K168-T226 HydrophobicContact CG-CG2 4.1Å; K168-Y594 WeakPolarHBondContact CD-OH 3.38Å; K168-Y594 WeakPolarHBondContact CE-OH 3.39Å; K168-Y594 PolarHBondContact NZ-OH 3.2Å
169F97.2Very high93.4Very high0 Ų040.4 Ų40.40%019%0.185CC..EExtended strand (participates in β ladder)trans-108.4127.5178.3-68.6-84.7000111.2Y56 L58 I113 V114 L115 F147 L167 L181 D224 L225 F227Y56-F169 HydrophobicContact CD1-CB 4.21Å; Y56-F169 HydrophobicContact CD1-CG 4.42Å; Y56-F169 HydrophobicContact CE1-CB 3.68Å; Y56-F169 AromaticContact CE1-CD1 3.84Å; Y56-F169 HydrophobicContact CE1-CD1 3.84Å; Y56-F169 AromaticContact CE1-CD2 3.71Å; Y56-F169 HydrophobicContact CE1-CD2 3.71Å; Y56-F169 HydrophobicContact CE1-CE1 4.4Å; Y56-F169 HydrophobicContact CE1-CE2 4.29Å; Y56-F169 AromaticContact CE1-CG 3.44Å; Y56-F169 HydrophobicContact CE1-CG 3.44Å; Y56-F169 VanDerWaalsContact CE1-CG 3.44Å; Y56-F169 AromaticContact CZ-CD1 3.82Å; Y56-F169 AromaticContact CZ-CG 3.93Å; Y56-F169 WeakPolarHBondContact OH-CD1 3.46Å; Y56-F169 WeakPolarHBondContact OH-CE1 3.35Å; Y56-F169 WeakPolarHBondContact OH-CZ 3.27Å; L58-F169 HydrophobicContact CD1-CD2 4.4Å; L58-F169 HydrophobicContact CD1-CE2 3.65Å; L58-F169 HydrophobicContact CD1-CZ 4.27Å; L58-F169 HydrophobicContact CD2-CE2 4.34Å; L58-F169 HydrophobicContact CD2-CZ 4.33Å; L58-F169 HydrophobicContact CG-CE2 4.43Å; I113-F169 HydrophobicContact CG2-CB 3.95Å; I113-F169 HydrophobicContact CG2-CD1 4.31Å; V114-F169 WeakPolarHBondContact O-CA 2.99Å; L115-F169 HydrophobicContact CB-CD1 4.33Å; L115-F169 HydrophobicContact CB-CE1 3.9Å; L115-F169 HydrophobicContact CB-CZ 4.41Å; L115-F169 HydrophobicContact CD1-CE1 4.16Å; L115-F169 HydrophobicContact CD1-CE2 4.1Å; L115-F169 HydrophobicContact CD1-CZ 3.92Å; F147-F169 HydrophobicContact CD1-CE1 4.32Å; F147-F169 HydrophobicContact CD1-CZ 4.36Å; F147-F169 HydrophobicContact CD2-CE1 4.36Å; F147-F169 AromaticContact CD2-CZ 3.8Å; F147-F169 HydrophobicContact CD2-CZ 3.8Å; F147-F169 AromaticContact CE1-CE1 3.84Å; F147-F169 HydrophobicContact CE1-CE1 3.84Å; F147-F169 HydrophobicContact CE1-CZ 4.23Å; F147-F169 AromaticContact CE2-CE1 3.88Å; F147-F169 HydrophobicContact CE2-CE1 3.88Å; F147-F169 AromaticContact CE2-CZ 3.64Å; F147-F169 HydrophobicContact CE2-CZ 3.64Å; F147-F169 HydrophobicContact CG-CZ 4.18Å; F147-F169 AromaticContact CZ-CE1 3.61Å; F147-F169 HydrophobicContact CZ-CE1 3.61Å; F147-F169 AromaticContact CZ-CZ 3.87Å; F147-F169 HydrophobicContact CZ-CZ 3.87Å; L167-F169 HydrophobicContact CB-CD2 4.29Å; L167-F169 HydrophobicContact CB-CE2 3.59Å; L167-F169 HydrophobicContact CB-CZ 4.33Å; L167-F169 HydrophobicContact CD2-CE2 4.25Å; L167-F169 HydrophobicContact CD2-CZ 4.27Å; F169-L181 WeakPolarHBondContact O-CD2 3.3Å; F169-D224 CarbonylContact O-C 3.58Å; F169-D224 VanDerWaalsContact O-CA 3.28Å; F169-D224 WeakPolarHBondContact O-CA 3.45Å; F169-D224 WeakPolarHBondContact O-CB 3.32Å; F169-L225 PolarHBondContact N-O 3.19Å; F169-L225 PolarHBondContact O-N 3.15Å; F169-F227 AromaticContact CD2-CD2 3.78Å; F169-F227 HydrophobicContact CD2-CD2 3.78Å; F169-F227 AromaticContact CD2-CE2 3.95Å; F169-F227 HydrophobicContact CD2-CE2 3.95Å; F169-F227 HydrophobicContact CE2-CD2 4.16Å
170A95.8Very high93.7Very high0 Ų040.6 Ų40.60%019%0.185CC..EExtended strand (participates in β ladder)trans-147.2167.3174.100000110.1I113 V114 H116 I222 D224I113-A170 WeakPolarHBondContact CA-O 3.43Å; V114-A170 PolarHBondContact N-O 3.33Å; V114-A170 PolarHBondContact O-N 2.86Å; H116-A170 VanDerWaalsContact CE1-CB 3.42Å; H116-A170 WeakPolarHBondContact CE1-CB 3.42Å; H116-A170 WeakPolarHBondContact NE2-CB 3.4Å; A170-I222 HydrophobicContact CB-CG2 4.19Å; A170-D224 HydrophobicContact CB-CB 3.72Å
171S95.3Very high94Very high3 Ų337.3 Ų37.32%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-71.2137.4167.5150.20000109.6D112 Y174D112-S171 PolarHBondContact OD1-OG 3.01Å; S171-Y174 WeakPolarHBondContact OG-CA 3.4Å; S171-Y174 VanDerWaalsContact OG-CB 3.25Å; S171-Y174 WeakPolarHBondContact OG-CB 3.27Å; S171-Y174 PolarHBondContact OG-N 3.44Å; S171-Y174 PolarHBondContact OG-O 3.09Å; S171-Y174 VanDerWaalsContact OG-O 3.12Å
172W91.2Very high94.4Very high169 Ų16940.2 Ų40.264%0.6419%0.185SC*.SBendtrans-76.9-39.1179.1-167.2-107.6000112.6D112 V114 H116D112-W172 PolarHBondContact O-N 3.44Å; D112-W172 PolarHBondContact OD2-N 3.41Å; V114-W172 HydrophobicContact CG2-CB 3.84Å; V114-W172 HydrophobicContact CG2-CD2 4.23Å; V114-W172 HydrophobicContact CG2-CE3 3.62Å; V114-W172 HydrophobicContact CG2-CG 4.37Å; V114-W172 HydrophobicContact CG2-CZ3 4.49Å; H116-W172 AromaticContact NE2-CE3 3.98Å
173T92Very high94.7Very high94 Ų9436.8 Ų36.858%0.57717%0.171SC*.SBendtrans-112.2-26.9-169.861.60000114.5D112D112-T173 WeakPolarHBondContact OD2-CB 3.24Å; D112-T173 PolarHBondContact OD2-N 2.99Å; D112-T173 PolarHBondContact OD2-OG1 2.99Å
174Y93.1Very high94.8Very high42 Ų4237.6 Ų37.617%0.16518%0.176CC..  trans-93143.5-178.5-56.2-70.5000113.3R43 W109 D112 S171 Q178 L179R43-Y174 HydrophobicContact CG-CD1 4.22Å; R43-Y174 HydrophobicContact CG-CE1 3.54Å; W109-Y174 HydrophobicContact CZ2-CE2 4.01Å; W109-Y174 PolarHBondContact NE1-OH 2.87Å; D112-Y174 WeakPolarHBondContact OD1-CD2 3.48Å; D112-Y174 WeakPolarHBondContact OD1-CE2 3.49Å; S171-Y174 WeakPolarHBondContact OG-CA 3.4Å; S171-Y174 VanDerWaalsContact OG-CB 3.25Å; S171-Y174 WeakPolarHBondContact OG-CB 3.27Å; S171-Y174 PolarHBondContact OG-N 3.44Å; S171-Y174 PolarHBondContact OG-O 3.09Å; S171-Y174 VanDerWaalsContact OG-O 3.12Å; Y174-Q178 HydrophobicContact CD1-CB 3.89Å; Y174-Q178 HydrophobicContact CG-CB 4.37Å; Y174-L179 HydrophobicContact CD2-CB 4.34Å; Y174-L179 HydrophobicContact CD2-CD1 3.79Å; Y174-L179 HydrophobicContact CE2-CD1 4.47Å; Y174-L179 HydrophobicContact CG-CB 4.1Å; Y174-L179 HydrophobicContact CG-CD1 4.39Å
175N93Very high94.7Very high10 Ų1041 Ų415%0.05320%0.196CC..  trans-91.2175.3169.169.1-6000111.8E177 Q178 L179 K220 E221N175-E177 PolarHBondContact ND2-OE2 3.25Å; N175-E177 PolarHBondContact O-N 2.79Å; N175-E177 PolarHBondContact OD1-N 3.01Å; N175-Q178 PolarHBondContact O-N 3.08Å; N175-Q178 WeakPolarHBondContact OD1-CB 3.47Å; N175-Q178 WeakPolarHBondContact OD1-CG 3.42Å; N175-Q178 PolarHBondContact OD1-N 3.02Å; N175-Q178 VanDerWaalsContact OD1-N 3.15Å; N175-Q178 PolarHBondContact OD1-OE1 3.03Å; N175-L179 PolarHBondContact O-N 2.95Å; N175-K220 HydrophobicContact CB-CB 4.29Å; N175-E221 CarbonylContact C-O 3.5Å; N175-E221 WeakPolarHBondContact CA-O 3.28Å; N175-E221 WeakPolarHBondContact CB-O 3.42Å
176S92.8Very high94.6Very high22 Ų2247.6 Ų47.615%0.15423%0.231CC..THydrogen-bonded Turntrans-59.1-27.5-179.264.50000114.4Q178 E221S176-Q178 VanDerWaalsContact C-N 3.34Å; S176-E221 WeakPolarHBondContact CB-O 3.18Å; S176-E221 PolarHBondContact N-O 3.36Å; S176-E221 PolarHBondContact OG-O 3.45Å
177E92.1Very high94.4Very high133 Ų13352.6 Ų52.662%0.62125%0.249SC*.THydrogen-bonded Turntrans-73.7-27.7176.8-59.1-179.4152.200112.2R51 N175R51-E177 VanDerWaalsContact CB-O 3.31Å; R51-E177 WeakPolarHBondContact CB-O 3.04Å; N175-E177 PolarHBondContact ND2-OE2 3.25Å; N175-E177 PolarHBondContact O-N 2.79Å; N175-E177 PolarHBondContact OD1-N 3.01Å
178Q93.9Very high94.3Very high74 Ų7456.3 Ų56.335%0.34627%0.272SS..THydrogen-bonded Turntrans-98.4-41.4-177-71.3173.9-24.500112.3R43 R51 V52 Y174 N175 S176R43-Q178 WeakPolarHBondContact CD-O 3.33Å; R43-Q178 VanDerWaalsContact NH1-CA 3.34Å; R43-Q178 PolarHBondContact NH1-O 3.5Å; R51-Q178 WeakPolarHBondContact CA-O 3.27Å; V52-Q178 PolarHBondContact N-O 3.4Å; Y174-Q178 HydrophobicContact CD1-CB 3.89Å; Y174-Q178 HydrophobicContact CG-CB 4.37Å; N175-Q178 PolarHBondContact O-N 3.08Å; N175-Q178 WeakPolarHBondContact OD1-CB 3.47Å; N175-Q178 WeakPolarHBondContact OD1-CG 3.42Å; N175-Q178 PolarHBondContact OD1-N 3.02Å; N175-Q178 VanDerWaalsContact OD1-N 3.15Å; N175-Q178 PolarHBondContact OD1-OE1 3.03Å; S176-Q178 VanDerWaalsContact C-N 3.34Å
179L95.7Very high94.3Very high1 Ų158.9 Ų58.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-137.8123.1-178.4-172.5153.6000109.5V52 V54 W109 P111 I113 Y174 N175 L181V52-L179 WeakPolarHBondContact O-CA 3.26Å; V54-L179 HydrophobicContact CG2-CD1 4Å; V54-L179 HydrophobicContact CG2-CD2 4.27Å; V54-L179 HydrophobicContact CG2-CG 4.03Å; W109-L179 HydrophobicContact CH2-CD1 4.43Å; P111-L179 HydrophobicContact CB-CD1 4.19Å; I113-L179 HydrophobicContact CD1-CD1 4.47Å; I113-L179 HydrophobicContact CD1-CD2 4.15Å; Y174-L179 HydrophobicContact CD2-CB 4.34Å; Y174-L179 HydrophobicContact CD2-CD1 3.79Å; Y174-L179 HydrophobicContact CE2-CD1 4.47Å; Y174-L179 HydrophobicContact CG-CB 4.1Å; Y174-L179 HydrophobicContact CG-CD1 4.39Å; N175-L179 PolarHBondContact O-N 2.95Å; L179-L181 HydrophobicContact CD2-CB 4.19Å
180D95.8Very high94.2Very high6 Ų659.1 Ų59.13%0.03229%0.286CS..EExtended strand (participates in β ladder)trans-106.9112174.6-173.118.2000109.8R51 V52 V53 V54 Q182 R210R51-D180 IonicContact CZ-OD2 3.47Å; R51-D180 IonicContact NH1-OD2 3.4Å; R51-D180 PolarHBondContact NH1-OD2 3Å; R51-D180 IonicContact NH2-OD2 3.69Å; R51-D180 PolarHBondContact NH2-OD2 2.92Å; V52-D180 PolarHBondContact O-N 3.11Å; V53-D180 WeakPolarHBondContact CA-O 3.46Å; V53-D180 HydrophobicContact CG2-CB 4.45Å; V54-D180 PolarHBondContact N-O 3.5Å; D180-Q182 PolarHBondContact OD2-NE2 3.07Å; D180-R210 IonicContact OD1-CZ 2.72Å; D180-R210 IonicContact OD1-NE 3.75Å; D180-R210 IonicContact OD1-NH2 2.66Å; D180-R210 PolarHBondContact OD1-NH2 3.22Å
181L96.8Very high94.2Very high0 Ų059.9 Ų59.90%029%0.29CS..EExtended strand (participates in β ladder)trans-87122.8179.6-168.263.9000109.6V54 I113 F169 L179 R210 P223 L225V54-L181 HydrophobicContact CB-CD1 4.15Å; V54-L181 HydrophobicContact CG1-CD1 4.12Å; I113-L181 HydrophobicContact CD1-CD1 3.77Å; I113-L181 HydrophobicContact CD1-CD2 4.37Å; I113-L181 HydrophobicContact CG1-CD1 4.15Å; I113-L181 HydrophobicContact CG2-CD2 4.44Å; F169-L181 WeakPolarHBondContact O-CD2 3.3Å; L179-L181 HydrophobicContact CD2-CB 4.19Å; L181-R210 PolarHBondContact O-NE 3.47Å; L181-P223 HydrophobicContact CB-CB 4.48Å; L181-P223 HydrophobicContact CB-CG 4.27Å; L181-L225 HydrophobicContact CD1-CD1 4.38Å; L181-L225 HydrophobicContact CD2-CB 4.38Å; L181-L225 HydrophobicContact CD2-CD1 4.08Å; L181-L225 HydrophobicContact CD2-CG 3.77Å; L181-L225 HydrophobicContact CG-CD1 3.75Å; L181-L225 HydrophobicContact CG-CG 3.8Å
182Q96.9Very high94.2Very high65 Ų6562.6 Ų62.630%0.30430%0.304SS..EExtended strand (participates in β ladder)trans-130.9159.9-176.8-61.7-174.510.900111V53 V54 G55 Y56 D180V53-Q182 HydrophobicContact CG1-CB 4.47Å; V53-Q182 HydrophobicContact CG1-CG 4.05Å; V54-Q182 PolarHBondContact O-N 2.95Å; G55-Q182 CarbonylContact C-O 3.55Å; G55-Q182 WeakPolarHBondContact CA-O 3.41Å; Y56-Q182 PolarHBondContact N-O 3.29Å; D180-Q182 PolarHBondContact OD2-NE2 3.07Å
183F97.2Very high94.3Very high26 Ų2660.8 Ų60.811%0.11431%0.307CS..EExtended strand (participates in β ladder)trans-70.2132.6175.6-70.3-64.6000111.4D185 N186 T188 A208 Y209 R210 L225 F227F183-D185 PolarHBondContact O-N 3.04Å; F183-N186 PolarHBondContact O-N 3.34Å; F183-T188 HydrophobicContact CD2-CG2 3.88Å; F183-T188 HydrophobicContact CE2-CG2 4.05Å; F183-A208 HydrophobicContact CD1-CB 4.44Å; F183-A208 HydrophobicContact CE1-CB 3.5Å; F183-A208 HydrophobicContact CZ-CB 3.79Å; F183-Y209 VanDerWaalsContact CZ-C 3.49Å; F183-R210 HydrophobicContact CE2-CB 3.88Å; F183-R210 HydrophobicContact CZ-CB 4.34Å; F183-L225 HydrophobicContact CD1-CD1 3.99Å; F183-L225 HydrophobicContact CD1-CD2 4.16Å; F183-L225 HydrophobicContact CD2-CD2 4.33Å; F183-L225 HydrophobicContact CE1-CB 4.13Å; F183-L225 HydrophobicContact CE1-CD1 4.07Å; F183-L225 HydrophobicContact CE1-CD2 3.79Å; F183-L225 HydrophobicContact CE1-CG 4.21Å; F183-L225 HydrophobicContact CE2-CD2 3.99Å; F183-L225 HydrophobicContact CG-CD2 4.41Å; F183-L225 HydrophobicContact CZ-CD2 3.7Å; F183-F227 HydrophobicContact CD1-CZ 4.38Å; F183-F227 HydrophobicContact CE1-CE1 4.19Å; F183-F227 HydrophobicContact CE1-CZ 4.1Å
184L95Very high94.3Very high19 Ų1961.5 Ų61.510%0.09930%0.303CS..G310 helixtrans-60128.8172.1-177.268000110.1Y56 K80 T82 N186 R187Y56-L184 PolarHBondContact O-N 3.18Å; K80-L184 HydrophobicContact CB-CD2 3.51Å; K80-L184 HydrophobicContact CD-CD2 4.01Å; K80-L184 HydrophobicContact CG-CD2 4.37Å; T82-L184 HydrophobicContact CG2-CD1 3.27Å; L184-N186 PolarHBondContact O-N 2.96Å; L184-N186 VanDerWaalsContact O-N 3.13Å; L184-R187 PolarHBondContact O-N 3.37Å
185D91.5Very high94.4Very high120 Ų12061.9 Ų61.964%0.64231%0.305SS*.G310 helixtrans54.426.6-179-53.5-35.4000114.7F183 R187F183-D185 PolarHBondContact O-N 3.04Å; D185-R187 HydrophobicContact CB-CG 4.17Å; D185-R187 PolarHBondContact O-N 3.13Å; D185-R187 VanDerWaalsContact O-N 3.1Å
186N92.5Very high94.4Very high138 Ų13865 Ų6574%0.73833%0.325SS*.G310 helixtrans54.223-172.7-69.7-19.6000114.1F183 L184 T188F183-N186 PolarHBondContact O-N 3.34Å; L184-N186 PolarHBondContact O-N 2.96Å; L184-N186 VanDerWaalsContact O-N 3.13Å; N186-T188 PolarHBondContact O-N 2.89Å
187R92.8Very high94.4Very high136 Ų13668.2 Ų68.251%0.51335%0.347SS..  trans-81.7108.7177.6-65.3-175.8-176.1-156.41.9110.1L184 D185 E189L184-R187 PolarHBondContact O-N 3.37Å; D185-R187 HydrophobicContact CB-CG 4.17Å; D185-R187 PolarHBondContact O-N 3.13Å; D185-R187 VanDerWaalsContact O-N 3.1Å; R187-E189 PolarHBondContact O-N 3.26Å
188T94.8Very high94.4Very high79 Ų7963.7 Ų63.749%0.48533%0.33SS..  trans-88.731.5178.458.60000112.7F183 N186 A208F183-T188 HydrophobicContact CD2-CG2 3.88Å; F183-T188 HydrophobicContact CE2-CG2 4.05Å; N186-T188 PolarHBondContact O-N 2.89Å; T188-A208 PolarHBondContact O-N 3.29Å
189E95Very high94.2Very high100 Ų10067.4 Ų67.447%0.46735%0.352SS..BIsolated β-bridgetrans-142.3149.7179.2-67.3-174.3-167.700109.9R187 D191 R206R187-E189 PolarHBondContact O-N 3.26Å; E189-D191 PolarHBondContact O-N 3.13Å; E189-R206 WeakPolarHBondContact CA-O 3.42Å; E189-R206 IonicContact OE2-CZ 3.06Å; E189-R206 IonicContact OE2-NE 3.69Å; E189-R206 IonicContact OE2-NH2 3.92Å; E189-R206 PolarHBondContact OE2-NH2 2.92Å
190V95.7Very high93.9Very high5 Ų570.3 Ų70.33%0.0337%0.366CS..  trans-67.5122.2169.9178.90000108.4L58 L60 R206 F227 L229L58-V190 HydrophobicContact CB-CG1 4.12Å; L60-V190 HydrophobicContact CB-CG1 3.8Å; V190-R206 HydrophobicContact CB-CB 4.21Å; V190-R206 PolarHBondContact N-O 3.44Å; V190-R206 VanDerWaalsContact N-O 3.11Å; V190-R206 WeakPolarHBondContact O-CD 3.43Å; V190-R206 PolarHBondContact O-NE 3.32Å; V190-R206 PolarHBondContact O-NH1 3.38Å; V190-F227 HydrophobicContact CG2-CB 3.8Å; V190-F227 HydrophobicContact CG2-CD1 3.51Å; V190-F227 HydrophobicContact CG2-CG 4.05Å; V190-L229 HydrophobicContact CG2-CD2 4.16Å
191D95.4Very high93.9Very high15 Ų1570.4 Ų70.48%0.0837%0.366CS..BIsolated β-bridgetrans-64.2143.317817324.5000112.2L58 S59 L60 K80 E189 D193L58-D191 WeakPolarHBondContact O-CB 3.42Å; L58-D191 PolarHBondContact O-N 2.83Å; S59-D191 CarbonylContact C-O 3.59Å; S59-D191 WeakPolarHBondContact CA-O 3.43Å; S59-D191 WeakPolarHBondContact CB-OD2 3.31Å; S59-D191 PolarHBondContact OG-OD2 2.9Å; L60-D191 PolarHBondContact N-O 3.32Å; K80-D191 IonicContact NZ-OD2 3.18Å; K80-D191 PolarHBondContact NZ-OD2 3.14Å; E189-D191 PolarHBondContact O-N 3.13Å; D191-D193 PolarHBondContact OD1-N 3.27Å; D191-D193 VanDerWaalsContact OD1-N 3.11Å
192I95.2Very high93.7Very high60 Ų6072.9 Ų72.931%0.30838%0.383SS..  trans-132.112.8-176.270-173.5000112.7L60 Q194 Y195 L203L60-I192 HydrophobicContact CB-CG2 4.48Å; I192-Q194 PolarHBondContact O-N 3.45Å; I192-Y195 HydrophobicContact CB-CG 4.48Å; I192-Y195 VanDerWaalsContact O-CB 3.28Å; I192-Y195 WeakPolarHBondContact O-CB 3.46Å; I192-Y195 PolarHBondContact O-N 3.14Å; I192-L203 HydrophobicContact CG2-CD2 4.01Å
193D92.7Very high93.6Very high132 Ų13271.8 Ų71.871%0.70638%0.379SS*.THydrogen-bonded Turntrans-56.8-25.9-175.9-68.3-14.1000112.8D191D191-D193 PolarHBondContact OD1-N 3.27Å; D191-D193 VanDerWaalsContact OD1-N 3.11Å
194Q91.9Very high93.4Very high108 Ų10874.5 Ų74.551%0.50540%0.398SS..THydrogen-bonded Turntrans-114.116.3178-60.4-176-13.500113.4F61 I192 T196F61-Q194 HydrophobicContact CD2-CB 4.15Å; I192-Q194 PolarHBondContact O-N 3.45Å; Q194-T196 PolarHBondContact O-N 3.38Å
195Y95Very high93.3Very high50 Ų5074.8 Ų74.820%0.19640%0.403CS..PPolyproline II helixtrans-72.8125.9-175.5175.4-118.7000111.8L60 F61 I192 S198L60-Y195 HydrophobicContact CB-CD2 4.48Å; L60-Y195 HydrophobicContact CD2-CD2 3.67Å; L60-Y195 HydrophobicContact CD2-CE2 3.67Å; L60-Y195 HydrophobicContact CD2-CG 4.43Å; L60-Y195 HydrophobicContact CG-CD2 3.7Å; L60-Y195 HydrophobicContact CG-CE2 4.05Å; L60-Y195 WeakPolarHBondContact O-CA 3.47Å; L60-Y195 WeakPolarHBondContact O-CB 3.32Å; F61-Y195 WeakPolarHBondContact O-CA 3.26Å; I192-Y195 HydrophobicContact CB-CG 4.48Å; I192-Y195 VanDerWaalsContact O-CB 3.28Å; I192-Y195 WeakPolarHBondContact O-CB 3.46Å; I192-Y195 PolarHBondContact O-N 3.14Å; Y195-S198 PolarHBondContact OH-N 3.07Å
196T94.6Very high93.5Very high77 Ų7771.6 Ų71.647%0.47238%0.382SS..BIsolated β-bridgetrans-92.1120.9167.6-56.80000109.6F61 Q194F61-T196 PolarHBondContact O-N 3.23Å; Q194-T196 PolarHBondContact O-N 3.38Å
197S92Very high93.7Very high89 Ų8965.9 Ų65.962%0.62235%0.352SS*.PPolyproline II helixtrans-60.4136.2-179.756.50000112.3
198S91.2Very high93.8Very high38 Ų3859.5 Ų59.527%0.26633%0.329SS..PPolyproline II helixtrans-78.7147.8170.6178.30000111.1Y195 E200Y195-S198 PolarHBondContact OH-N 3.07Å; S198-E200 PolarHBondContact OG-N 3.34Å
199N89.9Confident93.9Very high152 Ų15260 Ų6081%0.81332%0.322SS*.SBendtrans-75.4-29.4176-69.8-25.5000112.4N234N199-N234 PolarHBondContact O-ND2 3.45Å
200E91.2Very high93.9Very high61 Ų6159.9 Ų59.929%0.28532%0.317SS..SBendtrans-93-35-176.2-175.9172.4-16500112.3S198 R233 N234 Y238S198-E200 PolarHBondContact OG-N 3.34Å; E200-R233 HydrophobicContact CG-CG 4.5Å; E200-R233 CarbonylContact O-C 3.59Å; E200-R233 IonicContact OE1-NH1 3.71Å; E200-R233 PolarHBondContact OE1-NH1 3.42Å; E200-N234 WeakPolarHBondContact O-CB 3.49Å; E200-N234 PolarHBondContact O-N 2.87Å; E200-Y238 WeakPolarHBondContact OE1-CE2 3.41Å; E200-Y238 PolarHBondContact OE1-OH 3.03Å
201W94.2Very high93.9Very high8 Ų859.9 Ų59.93%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-122.2130.2-171.2-64.4100.3000111.5L63 L66 Q163 L231 R233L63-W201 HydrophobicContact CD2-CB 3.49Å; L63-W201 VanDerWaalsContact CD2-CB 3.49Å; L63-W201 HydrophobicContact CD2-CG 3.89Å; L66-W201 HydrophobicContact CB-CZ2 4.27Å; L66-W201 HydrophobicContact CD2-CH2 3.8Å; L66-W201 HydrophobicContact CD2-CZ2 3.7Å; L66-W201 HydrophobicContact CD2-CZ3 4.28Å; L66-W201 HydrophobicContact CG-CZ2 4.36Å; Q163-W201 HydrophobicContact CB-CZ3 4.36Å; Q163-W201 HydrophobicContact CG-CH2 3.75Å; Q163-W201 HydrophobicContact CG-CZ3 3.76Å; W201-L231 HydrophobicContact CE3-CB 3.84Å; W201-L231 HydrophobicContact CZ3-CB 4.38Å; W201-R233 HydrophobicContact CE3-CB 4.06Å; W201-R233 HydrophobicContact CH2-CB 4.08Å; W201-R233 HydrophobicContact CH2-CG 4.29Å; W201-R233 HydrophobicContact CZ3-CB 3.68Å; W201-R233 HydrophobicContact CZ3-CG 4.29Å
202S93.5Very high93.8Very high53 Ų5361.4 Ų61.437%0.37133%0.327SS..EExtended strand (participates in β ladder)trans-100.7128.8171.357.60000110.3V204 L231 K232S202-V204 PolarHBondContact O-N 3.08Å; S202-L231 CarbonylContact O-C 3.59Å; S202-L231 WeakPolarHBondContact O-CA 3.34Å; S202-K232 PolarHBondContact N-O 3.49Å; S202-K232 PolarHBondContact O-N 2.69Å; S202-K232 WeakPolarHBondContact OG-CB 3.44Å; S202-K232 PolarHBondContact OG-O 3.45Å
203L94Very high93.6Very high41 Ų4159.4 Ų59.422%0.21532%0.317CS..EExtended strand (participates in β ladder)trans-80.7113.7176.9-175.765.1000109.3L60 I192 R206 L229 L231L60-L203 HydrophobicContact CD2-CD2 4.05Å; I192-L203 HydrophobicContact CG2-CD2 4.01Å; L203-R206 HydrophobicContact CD1-CB 4.47Å; L203-R206 HydrophobicContact CD2-CB 4.39Å; L203-L229 HydrophobicContact CD1-CB 4.4Å; L203-L229 HydrophobicContact CD1-CD2 3.96Å; L203-L231 HydrophobicContact CD1-CD2 3.76Å
204V92.5Very high93.6Very high84 Ų8455.1 Ų55.151%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-90-46.5-176.4-179.30000111.4Y162 S202 F230 K232Y162-V204 HydrophobicContact CE1-CG2 4.41Å; S202-V204 PolarHBondContact O-N 3.08Å; V204-F230 HydrophobicContact CB-CB 4.29Å; V204-F230 PolarHBondContact N-O 3.29Å; V204-K232 HydrophobicContact CG2-CB 3.57Å
205A93.5Very high93.4Very high25 Ų2551 Ų5121%0.20728%0.277CS..EExtended strand (participates in β ladder)trans-151.1154.2-179.500000110.3F230 V583A205-F230 HydrophobicContact CB-CB 4.01Å; A205-F230 HydrophobicContact CB-CD2 3.87Å; A205-F230 HydrophobicContact CB-CG 4.11Å; A205-F230 PolarHBondContact O-N 3.01Å; A205-V583 HydrophobicContact CB-CG2 3.77Å
206R95.4Very high92.8Very high52 Ų5254.5 Ų54.520%0.19630%0.299CS..  trans-14540.5-172.163.3-170.9179.8130.79.4114.9E189 V190 L203 F228 L229E189-R206 WeakPolarHBondContact CA-O 3.42Å; E189-R206 IonicContact OE2-CZ 3.06Å; E189-R206 IonicContact OE2-NE 3.69Å; E189-R206 IonicContact OE2-NH2 3.92Å; E189-R206 PolarHBondContact OE2-NH2 2.92Å; V190-R206 HydrophobicContact CB-CB 4.21Å; V190-R206 PolarHBondContact N-O 3.44Å; V190-R206 VanDerWaalsContact N-O 3.11Å; V190-R206 WeakPolarHBondContact O-CD 3.43Å; V190-R206 PolarHBondContact O-NE 3.32Å; V190-R206 PolarHBondContact O-NH1 3.38Å; L203-R206 HydrophobicContact CD1-CB 4.47Å; L203-R206 HydrophobicContact CD2-CB 4.39Å; R206-F228 CarbonylContact C-O 3.6Å; R206-F228 VanDerWaalsContact C-O 3.31Å; R206-F228 WeakPolarHBondContact CA-O 3.47Å; R206-L229 HydrophobicContact CB-CD2 4.1Å
207P96.5Very high92.3Very high18 Ų1856.2 Ų56.212%0.11730%0.301CS..BIsolated β-bridgetrans-71.9156.6-173.135.6-37.8000111.4Y209 F228 F230 V583 I587P207-Y209 HydrophobicContact CB-CE2 3.82Å; P207-Y209 HydrophobicContact CG-CE2 4.22Å; P207-F228 HydrophobicContact CG-CB 4.15Å; P207-F228 WeakPolarHBondContact O-CB 3.38Å; P207-F228 PolarHBondContact O-N 3.01Å; P207-F230 HydrophobicContact CG-CE2 4Å; P207-V583 HydrophobicContact CG-CG1 3.84Å; P207-I587 HydrophobicContact CG-CD1 4.15Å
208A96.3Very high91.9Very high3 Ų355.8 Ų55.83%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-128.3137.1176.200000110.3F183 T188 T226 F227F183-A208 HydrophobicContact CD1-CB 4.44Å; F183-A208 HydrophobicContact CE1-CB 3.5Å; F183-A208 HydrophobicContact CZ-CB 3.79Å; T188-A208 PolarHBondContact O-N 3.29Å; A208-T226 CarbonylContact C-O 3.51Å; A208-T226 VanDerWaalsContact CA-O 3.31Å; A208-T226 WeakPolarHBondContact CA-O 3.49Å; A208-F227 HydrophobicContact CB-CD1 3.37Å; A208-F227 HydrophobicContact CB-CE1 3.67Å; A208-F227 HydrophobicContact CB-CG 4.06Å
209Y95.6Very high91.5Very high89 Ų8957.4 Ų57.435%0.34932%0.321SS..EExtended strand (participates in β ladder)trans-126.9143.5-179.3-72.3-92.6000110.9F183 P207 F211 T226 F228 I587F183-Y209 VanDerWaalsContact CZ-C 3.49Å; P207-Y209 HydrophobicContact CB-CE2 3.82Å; P207-Y209 HydrophobicContact CG-CE2 4.22Å; Y209-F211 HydrophobicContact CG-CZ 4.41Å; Y209-T226 PolarHBondContact N-O 3.16Å; Y209-T226 PolarHBondContact O-N 2.71Å; Y209-F228 HydrophobicContact CD2-CD2 4.13Å; Y209-F228 HydrophobicContact CD2-CE2 4.04Å; Y209-I587 HydrophobicContact CD1-CG2 4.23Å; Y209-I587 HydrophobicContact CD2-CD1 4.2Å; Y209-I587 HydrophobicContact CD2-CG1 4.18Å; Y209-I587 HydrophobicContact CD2-CG2 3.96Å; Y209-I587 HydrophobicContact CE1-CG2 4.05Å; Y209-I587 HydrophobicContact CE2-CB 4.39Å; Y209-I587 HydrophobicContact CE2-CD1 3.26Å; Y209-I587 HydrophobicContact CE2-CG1 3.71Å; Y209-I587 HydrophobicContact CE2-CG2 3.79Å; Y209-I587 HydrophobicContact CG-CG2 4.19Å; Y209-I587 WeakPolarHBondContact OH-CD1 3.31Å
210R95.7Very high91.5Very high97 Ų9754.1 Ų54.137%0.36630%0.299SS..EExtended strand (participates in β ladder)trans-94.3115.4172.8-179.6176.5-179.6-766.5108.2D180 L181 F183 D224 L225D180-R210 IonicContact OD1-CZ 2.72Å; D180-R210 IonicContact OD1-NE 3.75Å; D180-R210 IonicContact OD1-NH2 2.66Å; D180-R210 PolarHBondContact OD1-NH2 3.22Å; L181-R210 PolarHBondContact O-NE 3.47Å; F183-R210 HydrophobicContact CE2-CB 3.88Å; F183-R210 HydrophobicContact CZ-CB 4.34Å; R210-D224 CarbonylContact C-O 3.55Å; R210-D224 VanDerWaalsContact CA-O 3.3Å; R210-D224 WeakPolarHBondContact CA-O 3.2Å; R210-L225 HydrophobicContact CB-CD2 3.57Å; R210-L225 HydrophobicContact CG-CD2 3.66Å
211F95Very high91.6Very high6 Ų655.6 Ų55.63%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-105164172-56-86.2000110.2Y209 D224 T226 F228 H590 Q591 Y594Y209-F211 HydrophobicContact CG-CZ 4.41Å; F211-D224 VanDerWaalsContact CB-OD1 3.3Å; F211-D224 WeakPolarHBondContact CB-OD1 3.4Å; F211-D224 PolarHBondContact N-O 2.9Å; F211-D224 PolarHBondContact N-OD1 2.85Å; F211-D224 PolarHBondContact O-N 3.08Å; F211-T226 HydrophobicContact CE2-CG2 4.31Å; F211-F228 HydrophobicContact CE2-CE2 4.1Å; F211-F228 HydrophobicContact CE2-CZ 4.28Å; F211-F228 HydrophobicContact CZ-CE2 4.37Å; F211-F228 HydrophobicContact CZ-CZ 4.44Å; F211-H590 HydrophobicContact CZ-CB 4.44Å; F211-Q591 HydrophobicContact CE1-CB 4.18Å; F211-Y594 HydrophobicContact CB-CD1 3.81Å; F211-Y594 HydrophobicContact CB-CD2 4.32Å; F211-Y594 HydrophobicContact CB-CE1 3.62Å; F211-Y594 HydrophobicContact CB-CE2 4.19Å; F211-Y594 HydrophobicContact CB-CG 4.17Å; F211-Y594 HydrophobicContact CD1-CD2 4.05Å; F211-Y594 HydrophobicContact CD1-CE2 4.35Å; F211-Y594 HydrophobicContact CD1-CG 4.28Å; F211-Y594 HydrophobicContact CD2-CE2 4.05Å; F211-Y594 HydrophobicContact CG-CD1 4.43Å; F211-Y594 HydrophobicContact CG-CD2 4.07Å; F211-Y594 HydrophobicContact CG-CE1 4.29Å; F211-Y594 AromaticContact CG-CE2 3.95Å; F211-Y594 HydrophobicContact CG-CE2 3.95Å; F211-Y594 HydrophobicContact CG-CG 4.33Å
212V93.6Very high91.6Very high47 Ų4756.2 Ų56.229%0.28531%0.31SS..EExtended strand (participates in β ladder)trans-125.7118.5174.8-178.70000107.3E221 N598V212-E221 HydrophobicContact CG1-CB 3.73Å; V212-E221 HydrophobicContact CG1-CG 4.31Å; V212-N598 PolarHBondContact O-ND2 3.35Å
213M91.7Very high91.7Very high18 Ų1853.8 Ų53.89%0.08929%0.293CS..EExtended strand (participates in β ladder)trans-103.5139.9175.564.8-179.8-135.300110.7E221 I222 Y594 R597M213-E221 CarbonylContact O-C 3.52Å; M213-I222 HydrophobicContact CE-CB 3.96Å; M213-I222 HydrophobicContact CE-CD1 3.58Å; M213-I222 HydrophobicContact CE-CG1 4.36Å; M213-I222 HydrophobicContact CE-CG2 4.04Å; M213-I222 HydrophobicContact CG-CB 3.81Å; M213-I222 HydrophobicContact CG-CG2 4.38Å; M213-I222 WeakPolarHBondContact CG-O 3.31Å; M213-I222 PolarHBondContact N-O 3.03Å; M213-I222 PolarHBondContact O-N 3.04Å; M213-Y594 HydrophobicContact CB-CD1 4.22Å; M213-Y594 HydrophobicContact CB-CE1 4.09Å; M213-R597 PolarHBondContact SD-NH1 3.37Å
214L91.6Very high91.8Very high41 Ų4151.9 Ų51.922%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-74.1133.5168.4-63.8-178.3000109.4E221 N598 V601 A602L214-E221 HydrophobicContact CD2-CG 3.91Å; L214-N598 HydrophobicContact CD1-CB 3.96Å; L214-N598 WeakPolarHBondContact CD1-O 3.27Å; L214-N598 HydrophobicContact CG-CB 4.07Å; L214-N598 PolarHBondContact N-OD1 3.43Å; L214-V601 HydrophobicContact CB-CB 4.26Å; L214-V601 HydrophobicContact CB-CG1 3.91Å; L214-A602 HydrophobicContact CD1-CB 4.33Å
215S87.8Confident92Very high23 Ų2347.9 Ų47.916%0.16126%0.258CS..PPolyproline II helixtrans-69.2153.5170-174.10000110.1E217 K220 V601S215-E217 PolarHBondContact O-N 3.42Å; S215-E217 PolarHBondContact OG-N 2.96Å; S215-K220 WeakPolarHBondContact CB-O 3.16Å; S215-K220 PolarHBondContact N-O 3.47Å; S215-V601 VanDerWaalsContact O-CG1 3.24Å; S215-V601 WeakPolarHBondContact O-CG1 3.47Å
216D83Confident92.1Very high122 Ų12246.7 Ų46.765%0.65225%0.249SC*.SBendtrans-63-22.2171.4-59.2-22.2000111C218D216-C218 PolarHBondContact O-N 3Å
217E83.7Confident92.2Very high113 Ų11344.3 Ų44.353%0.52824%0.239SC..SBendtrans-77.5114.8165.2-65.8-177.2-178.800110.8S215 G219 K220S215-E217 PolarHBondContact O-N 3.42Å; S215-E217 PolarHBondContact OG-N 2.96Å; E217-G219 PolarHBondContact O-N 2.84Å; E217-K220 HydrophobicContact CB-CD 4.22Å; E217-K220 PolarHBondContact O-N 2.82Å; E217-K220 WeakPolarHBondContact OE2-CD 3.38Å; E217-K220 WeakPolarHBondContact OE2-CE 3.39Å; E217-K220 IonicContact OE2-NZ 3.59Å; E217-K220 PolarHBondContact OE2-NZ 3.23Å
218C83.5Confident92.2Very high80 Ų8043.5 Ų43.554%0.54123%0.234SC..THydrogen-bonded Turntrans-56132.3-175.5-57.40000113.3D216 C605D216-C218 PolarHBondContact O-N 3Å; C218-C605 WeakPolarHBondContact CA-SG 3.09Å; C218-C605 HydrophobicContact CB-CB 3.71Å; C218-C605 WeakPolarHBondContact CB-SG 3.36Å; C218-C605 WeakPolarHBondContact SG-CA 3.34Å; C218-C605 WeakPolarHBondContact SG-CB 3.41Å; C218-C605 CovalentContact SG-SG 2.03Å; C218-C605 PolarHBondContact SG-SG 3.2Å
219G83.3Confident92.2Very high73 Ų7343.5 Ų43.575%0.75323%0.234SC*.THydrogen-bonded Turntrans86.11177.200000115.1E217E217-G219 PolarHBondContact O-N 2.84Å
220K90.6Very high92.2Very high83 Ų8340 Ų4036%0.36122%0.22SC..  trans-106.2133.1175.6-64-177-177.5174.30111.3N175 S215 E217N175-K220 HydrophobicContact CB-CB 4.29Å; S215-K220 WeakPolarHBondContact CB-O 3.16Å; S215-K220 PolarHBondContact N-O 3.47Å; E217-K220 HydrophobicContact CB-CD 4.22Å; E217-K220 PolarHBondContact O-N 2.82Å; E217-K220 WeakPolarHBondContact OE2-CD 3.38Å; E217-K220 WeakPolarHBondContact OE2-CE 3.39Å; E217-K220 IonicContact OE2-NZ 3.59Å; E217-K220 PolarHBondContact OE2-NZ 3.23Å
221E93.5Very high92.1Very high91 Ų9135.5 Ų35.543%0.42520%0.204SC..EExtended strand (participates in β ladder)trans-107.7145.8175.2-49.4-176.3155.700110.1N175 S176 V212 M213 L214N175-E221 CarbonylContact C-O 3.5Å; N175-E221 WeakPolarHBondContact CA-O 3.28Å; N175-E221 WeakPolarHBondContact CB-O 3.42Å; S176-E221 WeakPolarHBondContact CB-O 3.18Å; S176-E221 PolarHBondContact N-O 3.36Å; S176-E221 PolarHBondContact OG-O 3.45Å; V212-E221 HydrophobicContact CG1-CB 3.73Å; V212-E221 HydrophobicContact CG1-CG 4.31Å; M213-E221 CarbonylContact O-C 3.52Å; L214-E221 HydrophobicContact CD2-CG 3.91Å
222I94Very high92Very high22 Ų2239.3 Ų39.311%0.11322%0.22CC..EExtended strand (participates in β ladder)trans-123.5113.1178-58.8166.8000107.2A170 M213A170-I222 HydrophobicContact CB-CG2 4.19Å; M213-I222 HydrophobicContact CE-CB 3.96Å; M213-I222 HydrophobicContact CE-CD1 3.58Å; M213-I222 HydrophobicContact CE-CG1 4.36Å; M213-I222 HydrophobicContact CE-CG2 4.04Å; M213-I222 HydrophobicContact CG-CB 3.81Å; M213-I222 HydrophobicContact CG-CG2 4.38Å; M213-I222 WeakPolarHBondContact CG-O 3.31Å; M213-I222 PolarHBondContact N-O 3.03Å; M213-I222 PolarHBondContact O-N 3.04Å
223P95.4Very high91.9Very high2 Ų237.2 Ų37.21%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-76.1133.6175.630.9-31.2000109.8L181L181-P223 HydrophobicContact CB-CB 4.48Å; L181-P223 HydrophobicContact CB-CG 4.27Å
224D95.3Very high92Very high1 Ų140.2 Ų40.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-123.3154.2172.579.327.8000111.4F169 A170 R210 F211 T226 Y594F169-D224 CarbonylContact O-C 3.58Å; F169-D224 VanDerWaalsContact O-CA 3.28Å; F169-D224 WeakPolarHBondContact O-CA 3.45Å; F169-D224 WeakPolarHBondContact O-CB 3.32Å; A170-D224 HydrophobicContact CB-CB 3.72Å; R210-D224 CarbonylContact C-O 3.55Å; R210-D224 VanDerWaalsContact CA-O 3.3Å; R210-D224 WeakPolarHBondContact CA-O 3.2Å; F211-D224 VanDerWaalsContact CB-OD1 3.3Å; F211-D224 WeakPolarHBondContact CB-OD1 3.4Å; F211-D224 PolarHBondContact N-O 2.9Å; F211-D224 PolarHBondContact N-OD1 2.85Å; F211-D224 PolarHBondContact O-N 3.08Å; D224-T226 PolarHBondContact OD1-OG1 3.41Å; D224-Y594 VanDerWaalsContact OD2-CE1 3.22Å; D224-Y594 WeakPolarHBondContact OD2-CE1 3.07Å; D224-Y594 VanDerWaalsContact OD2-CZ 3.23Å; D224-Y594 PolarHBondContact OD2-OH 3.14Å
225L97Very high91.9Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-114.1116.5170.1-59-178.4000108.1Y56 F169 L181 F183 R210 F227Y56-L225 HydrophobicContact CD1-CD1 4.1Å; F169-L225 PolarHBondContact N-O 3.19Å; F169-L225 PolarHBondContact O-N 3.15Å; L181-L225 HydrophobicContact CD1-CD1 4.38Å; L181-L225 HydrophobicContact CD2-CB 4.38Å; L181-L225 HydrophobicContact CD2-CD1 4.08Å; L181-L225 HydrophobicContact CD2-CG 3.77Å; L181-L225 HydrophobicContact CG-CD1 3.75Å; L181-L225 HydrophobicContact CG-CG 3.8Å; F183-L225 HydrophobicContact CD1-CD1 3.99Å; F183-L225 HydrophobicContact CD1-CD2 4.16Å; F183-L225 HydrophobicContact CD2-CD2 4.33Å; F183-L225 HydrophobicContact CE1-CB 4.13Å; F183-L225 HydrophobicContact CE1-CD1 4.07Å; F183-L225 HydrophobicContact CE1-CD2 3.79Å; F183-L225 HydrophobicContact CE1-CG 4.21Å; F183-L225 HydrophobicContact CE2-CD2 3.99Å; F183-L225 HydrophobicContact CG-CD2 4.41Å; F183-L225 HydrophobicContact CZ-CD2 3.7Å; R210-L225 HydrophobicContact CB-CD2 3.57Å; R210-L225 HydrophobicContact CG-CD2 3.66Å; L225-F227 HydrophobicContact CB-CE2 3.9Å; L225-F227 HydrophobicContact CB-CZ 4.42Å
226T96.7Very high92.1Very high0 Ų041.2 Ų41.20%024%0.236CC..EExtended strand (participates in β ladder)trans-105.3118.6178.3-61.10000109.7F166 L167 K168 A208 Y209 F211 D224 F228F166-T226 HydrophobicContact CB-CG2 3.96Å; F166-T226 HydrophobicContact CD2-CG2 4.44Å; L167-T226 CarbonylContact O-C 3.51Å; L167-T226 VanDerWaalsContact O-CA 3.3Å; L167-T226 WeakPolarHBondContact O-CA 3.3Å; K168-T226 HydrophobicContact CG-CG2 4.1Å; A208-T226 CarbonylContact C-O 3.51Å; A208-T226 VanDerWaalsContact CA-O 3.31Å; A208-T226 WeakPolarHBondContact CA-O 3.49Å; Y209-T226 PolarHBondContact N-O 3.16Å; Y209-T226 PolarHBondContact O-N 2.71Å; F211-T226 HydrophobicContact CE2-CG2 4.31Å; D224-T226 PolarHBondContact OD1-OG1 3.41Å; T226-F228 HydrophobicContact CG2-CD2 4.19Å; T226-F228 HydrophobicContact CG2-CE1 4.2Å; T226-F228 HydrophobicContact CG2-CE2 3.61Å; T226-F228 HydrophobicContact CG2-CZ 3.62Å
227F97Very high92.5Very high1 Ų142 Ų420%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-99.6121.8176.6-63.2-94.4000109.3Y56 L58 F166 L167 F169 F183 V190 A208 L225Y56-F227 AromaticContact CD1-CE2 3.95Å; Y56-F227 HydrophobicContact CD1-CE2 3.95Å; Y56-F227 HydrophobicContact CD1-CZ 4.15Å; Y56-F227 AromaticContact CE1-CE2 3.86Å; Y56-F227 HydrophobicContact CE1-CE2 3.86Å; Y56-F227 HydrophobicContact CE1-CZ 4.34Å; L58-F227 HydrophobicContact CB-CD1 4.47Å; L58-F227 HydrophobicContact CB-CE1 4.35Å; L58-F227 HydrophobicContact CD1-CB 4.09Å; L58-F227 HydrophobicContact CD1-CD1 4.05Å; L58-F227 HydrophobicContact CD1-CD2 3.61Å; L58-F227 HydrophobicContact CD1-CE1 4.39Å; L58-F227 HydrophobicContact CD1-CE2 4Å; L58-F227 HydrophobicContact CD1-CG 3.64Å; L58-F227 HydrophobicContact CD1-CZ 4.37Å; L58-F227 HydrophobicContact CG-CD1 4.32Å; L58-F227 HydrophobicContact CG-CD2 4.17Å; L58-F227 HydrophobicContact CG-CE1 4.19Å; L58-F227 HydrophobicContact CG-CE2 4.05Å; L58-F227 HydrophobicContact CG-CG 4.31Å; L58-F227 HydrophobicContact CG-CZ 4.05Å; F166-F227 CarbonylContact C-O 3.31Å; F166-F227 VanDerWaalsContact CA-O 3.24Å; F166-F227 WeakPolarHBondContact CA-O 3.44Å; L167-F227 PolarHBondContact N-O 3.02Å; L167-F227 PolarHBondContact O-N 2.93Å; F169-F227 AromaticContact CD2-CD2 3.78Å; F169-F227 HydrophobicContact CD2-CD2 3.78Å; F169-F227 AromaticContact CD2-CE2 3.95Å; F169-F227 HydrophobicContact CD2-CE2 3.95Å; F169-F227 HydrophobicContact CE2-CD2 4.16Å; F183-F227 HydrophobicContact CD1-CZ 4.38Å; F183-F227 HydrophobicContact CE1-CE1 4.19Å; F183-F227 HydrophobicContact CE1-CZ 4.1Å; V190-F227 HydrophobicContact CG2-CB 3.8Å; V190-F227 HydrophobicContact CG2-CD1 3.51Å; V190-F227 HydrophobicContact CG2-CG 4.05Å; A208-F227 HydrophobicContact CB-CD1 3.37Å; A208-F227 HydrophobicContact CB-CE1 3.67Å; A208-F227 HydrophobicContact CB-CG 4.06Å; L225-F227 HydrophobicContact CB-CE2 3.9Å; L225-F227 HydrophobicContact CB-CZ 4.42Å
228F96.4Very high92.8Very high1 Ų138.2 Ų38.20%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-97.3140.5178-65.7-89.4000110.5C165 F166 R206 P207 Y209 F211 T226 F230 H590C165-F228 CarbonylContact O-C 3.54Å; C165-F228 WeakPolarHBondContact O-CA 3.45Å; F166-F228 HydrophobicContact CB-CD1 3.71Å; F166-F228 HydrophobicContact CB-CE1 3.82Å; F166-F228 HydrophobicContact CB-CG 4.41Å; F166-F228 HydrophobicContact CG-CE1 4.4Å; R206-F228 CarbonylContact C-O 3.6Å; R206-F228 VanDerWaalsContact C-O 3.31Å; R206-F228 WeakPolarHBondContact CA-O 3.47Å; P207-F228 HydrophobicContact CG-CB 4.15Å; P207-F228 WeakPolarHBondContact O-CB 3.38Å; P207-F228 PolarHBondContact O-N 3.01Å; Y209-F228 HydrophobicContact CD2-CD2 4.13Å; Y209-F228 HydrophobicContact CD2-CE2 4.04Å; F211-F228 HydrophobicContact CE2-CE2 4.1Å; F211-F228 HydrophobicContact CE2-CZ 4.28Å; F211-F228 HydrophobicContact CZ-CE2 4.37Å; F211-F228 HydrophobicContact CZ-CZ 4.44Å; T226-F228 HydrophobicContact CG2-CD2 4.19Å; T226-F228 HydrophobicContact CG2-CE1 4.2Å; T226-F228 HydrophobicContact CG2-CE2 3.61Å; T226-F228 HydrophobicContact CG2-CZ 3.62Å; F228-F230 HydrophobicContact CB-CD2 4.32Å; F228-F230 HydrophobicContact CB-CE2 3.78Å; F228-H590 HydrophobicContact CE1-CB 4.47Å; F228-H590 AromaticContact CE1-CD2 3.71Å; F228-H590 AromaticContact CE1-CE1 3.75Å; F228-H590 AromaticContact CE1-CG 3.72Å; F228-H590 AromaticContact CE1-ND1 3.74Å; F228-H590 AromaticContact CE1-NE2 3.73Å; F228-H590 HydrophobicContact CZ-CB 4.05Å; F228-H590 AromaticContact CZ-CD2 3.9Å; F228-H590 AromaticContact CZ-CG 3.77Å
229L95.9Very high93.2Very high4 Ų435.3 Ų35.32%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-124114.4172.1-63.7177.1000108.7L73 I75 C165 L167 V190 L203 R206L73-L229 HydrophobicContact CD2-CD1 3.95Å; I75-L229 HydrophobicContact CD1-CD1 4.34Å; I75-L229 HydrophobicContact CG2-CD1 4.21Å; C165-L229 PolarHBondContact N-O 3.46Å; C165-L229 PolarHBondContact O-N 3.43Å; L167-L229 HydrophobicContact CD1-CD1 4.14Å; V190-L229 HydrophobicContact CG2-CD2 4.16Å; L203-L229 HydrophobicContact CD1-CB 4.4Å; L203-L229 HydrophobicContact CD1-CD2 3.96Å; R206-L229 HydrophobicContact CB-CD2 4.1Å
230F94.6Very high93.6Very high15 Ų1540.3 Ų40.37%0.06620%0.196CC..EExtended strand (participates in β ladder)trans-96.5113.4175-68.3-103.2000108.6H164 V204 A205 P207 F228 V583 I586H164-F230 HydrophobicContact CB-CD1 4.12Å; H164-F230 HydrophobicContact CB-CE1 4.16Å; V204-F230 HydrophobicContact CB-CB 4.29Å; V204-F230 PolarHBondContact N-O 3.29Å; A205-F230 HydrophobicContact CB-CB 4.01Å; A205-F230 HydrophobicContact CB-CD2 3.87Å; A205-F230 HydrophobicContact CB-CG 4.11Å; A205-F230 PolarHBondContact O-N 3.01Å; P207-F230 HydrophobicContact CG-CE2 4Å; F228-F230 HydrophobicContact CB-CD2 4.32Å; F228-F230 HydrophobicContact CB-CE2 3.78Å; F230-V583 HydrophobicContact CD1-CG2 3.99Å; F230-V583 HydrophobicContact CD2-CG2 4.2Å; F230-V583 HydrophobicContact CE1-CB 4.21Å; F230-V583 HydrophobicContact CE1-CG1 4.49Å; F230-V583 HydrophobicContact CE1-CG2 3.82Å; F230-V583 HydrophobicContact CE2-CB 4.31Å; F230-V583 HydrophobicContact CE2-CG1 3.76Å; F230-V583 HydrophobicContact CE2-CG2 4.07Å; F230-V583 HydrophobicContact CG-CG2 4.17Å; F230-V583 HydrophobicContact CZ-CB 3.95Å; F230-V583 HydrophobicContact CZ-CG1 3.75Å; F230-V583 HydrophobicContact CZ-CG2 3.89Å; F230-I586 HydrophobicContact CD1-CD1 4.44Å; F230-I586 HydrophobicContact CE1-CB 4.2Å; F230-I586 HydrophobicContact CE1-CD1 3.61Å; F230-I586 HydrophobicContact CE1-CG1 4.11Å; F230-I586 HydrophobicContact CZ-CB 4.13Å; F230-I586 HydrophobicContact CZ-CD1 4.35Å; F230-I586 HydrophobicContact CZ-CG2 4.38Å
231L94Very high93.6Very high3 Ų340 Ų402%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-113.2137.4-173.4-55.8175000109.5L63 L66 L73 Y162 Q163 W201 S202 L203L63-L231 HydrophobicContact CD1-CD1 4.4Å; L63-L231 HydrophobicContact CD2-CD1 4.1Å; L63-L231 HydrophobicContact CD2-CD2 4.02Å; L66-L231 HydrophobicContact CD2-CD1 4.12Å; L73-L231 HydrophobicContact CD1-CD1 4.25Å; Y162-L231 CarbonylContact C-O 3.58Å; Y162-L231 WeakPolarHBondContact CA-O 3.34Å; Q163-L231 HydrophobicContact CB-CB 4.47Å; Q163-L231 PolarHBondContact N-O 3.02Å; Q163-L231 PolarHBondContact O-N 3.24Å; W201-L231 HydrophobicContact CE3-CB 3.84Å; W201-L231 HydrophobicContact CZ3-CB 4.38Å; S202-L231 CarbonylContact O-C 3.59Å; S202-L231 WeakPolarHBondContact O-CA 3.34Å; L203-L231 HydrophobicContact CD1-CD2 3.76Å
232K92.7Very high93.6Very high85 Ų8535.6 Ų35.637%0.3718%0.177SC..EExtended strand (participates in β ladder)trans-118.6126.7172.7171.4-170.6-177.1176.70109.2Y162 S202 V204Y162-K232 HydrophobicContact CD1-CB 3.75Å; Y162-K232 HydrophobicContact CD1-CG 4.07Å; Y162-K232 HydrophobicContact CE1-CB 3.69Å; Y162-K232 HydrophobicContact CE1-CD 3.64Å; Y162-K232 HydrophobicContact CE1-CG 3.66Å; S202-K232 PolarHBondContact N-O 3.49Å; S202-K232 PolarHBondContact O-N 2.69Å; S202-K232 WeakPolarHBondContact OG-CB 3.44Å; S202-K232 PolarHBondContact OG-O 3.45Å; V204-K232 HydrophobicContact CG2-CB 3.57Å
233R92.9Very high93.5Very high3 Ų335.8 Ų35.81%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-69.7141.9178.3-164.8-174.2-59.3-101.4-0110.8E68 F158 D161 E200 W201 P235E68-R233 IonicContact OE1-CZ 3.2Å; E68-R233 IonicContact OE1-NH1 2.85Å; E68-R233 PolarHBondContact OE1-NH1 3.24Å; E68-R233 IonicContact OE1-NH2 3.84Å; E68-R233 PolarHBondContact OE1-NH2 3.46Å; F158-R233 VanDerWaalsContact CE2-CZ 3.5Å; D161-R233 PolarHBondContact O-N 3.42Å; D161-R233 WeakPolarHBondContact OD1-CB 3.36Å; D161-R233 WeakPolarHBondContact OD1-CD 3.11Å; D161-R233 IonicContact OD1-CZ 2.95Å; D161-R233 IonicContact OD1-NE 2.71Å; D161-R233 PolarHBondContact OD1-NE 2.95Å; D161-R233 IonicContact OD1-NH2 3.88Å; D161-R233 IonicContact OD2-CZ 3.94Å; D161-R233 IonicContact OD2-NE 2.69Å; D161-R233 PolarHBondContact OD2-NE 3.1Å; D161-R233 IonicContact OD2-NH2 3.79Å; D161-R233 PolarHBondContact OD2-NH2 3.27Å; E200-R233 HydrophobicContact CG-CG 4.5Å; E200-R233 CarbonylContact O-C 3.59Å; E200-R233 IonicContact OE1-NH1 3.71Å; E200-R233 PolarHBondContact OE1-NH1 3.42Å; W201-R233 HydrophobicContact CE3-CB 4.06Å; W201-R233 HydrophobicContact CH2-CB 4.08Å; W201-R233 HydrophobicContact CH2-CG 4.29Å; W201-R233 HydrophobicContact CZ3-CB 3.68Å; W201-R233 HydrophobicContact CZ3-CG 4.29Å; R233-P235 VanDerWaalsContact O-CD 3.31Å; R233-P235 WeakPolarHBondContact O-CD 3.14Å
234N92.4Very high93.3Very high82 Ų8241.2 Ų41.244%0.43920%0.203SC..  trans-81.7108165.3-175.4-0.8000109.2N199 E200 A236N199-N234 PolarHBondContact O-ND2 3.45Å; E200-N234 WeakPolarHBondContact O-CB 3.49Å; E200-N234 PolarHBondContact O-N 2.87Å; N234-A236 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 3.4Å; N234-A236 PolarHBondContact OD1-N 2.85Å
235P91Very high93.2Very high36 Ų3643 Ų4323%0.23422%0.215CC..  trans-78-6.8-168.833.1-37.8000113.6P159 F160 R233 F237 Y238 G239P159-P235 HydrophobicContact CG-CB 4.43Å; F160-P235 HydrophobicContact CD1-CB 3.52Å; F160-P235 HydrophobicContact CD1-CG 3.77Å; F160-P235 HydrophobicContact CE1-CB 3.5Å; F160-P235 VanDerWaalsContact CE1-CB 3.5Å; F160-P235 HydrophobicContact CE1-CG 3.76Å; F160-P235 HydrophobicContact CG-CB 4.48Å; F160-P235 HydrophobicContact CZ-CB 4.44Å; R233-P235 VanDerWaalsContact O-CD 3.31Å; R233-P235 WeakPolarHBondContact O-CD 3.14Å; P235-F237 PolarHBondContact O-N 2.96Å; P235-Y238 PolarHBondContact O-N 3.46Å; P235-G239 WeakPolarHBondContact O-CA 3.26Å; P235-G239 PolarHBondContact O-N 3.3Å
236A90.8Very high93Very high48 Ų4843.2 Ų43.240%0.39722%0.216SC..Hα-helixtrans-56.4-49.6-168.400000113N234 G239 Y240N234-A236 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 3.4Å; N234-A236 PolarHBondContact OD1-N 2.85Å; A236-G239 PolarHBondContact O-N 3.43Å; A236-Y240 WeakPolarHBondContact O-CD2 3.41Å; A236-Y240 PolarHBondContact O-N 3.33Å; A236-Y240 VanDerWaalsContact O-N 3.08Å
237F91.7Very high92.7Very high138 Ų13846.8 Ų46.861%0.60524%0.238SC*.Hα-helixtrans-61.4-52.4-178.3178.7-101.5000112.3P235 G239 Y240 L241P235-F237 PolarHBondContact O-N 2.96Å; F237-G239 VanDerWaalsContact C-N 3.31Å; F237-G239 PolarHBondContact O-N 3.05Å; F237-Y240 PolarHBondContact O-N 2.99Å; F237-L241 HydrophobicContact CE1-CD2 4.09Å; F237-L241 HydrophobicContact CZ-CD2 4.26Å; F237-L241 WeakPolarHBondContact O-CB 3.31Å; F237-L241 PolarHBondContact O-N 3.3Å
238Y90.9Very high92.5Very high34 Ų3450.9 Ų50.913%0.13326%0.259CS..Hα-helixtrans-68.9-29.2178.5-65.3-76.1000112.7F158 P159 E200 P235 L241 L242F158-Y238 HydrophobicContact CE1-CD1 4.3Å; F158-Y238 AromaticContact CZ-CD1 3.73Å; F158-Y238 HydrophobicContact CZ-CD1 3.73Å; F158-Y238 HydrophobicContact CZ-CD2 4.48Å; F158-Y238 AromaticContact CZ-CE1 3.92Å; F158-Y238 HydrophobicContact CZ-CE1 3.92Å; F158-Y238 HydrophobicContact CZ-CG 4.02Å; P159-Y238 HydrophobicContact CB-CD2 4.42Å; P159-Y238 HydrophobicContact CB-CG 4.21Å; E200-Y238 WeakPolarHBondContact OE1-CE2 3.41Å; E200-Y238 PolarHBondContact OE1-OH 3.03Å; P235-Y238 PolarHBondContact O-N 3.46Å; Y238-L241 PolarHBondContact O-N 3.5Å; Y238-L242 HydrophobicContact CD1-CD1 4.02Å; Y238-L242 WeakPolarHBondContact O-CB 3.39Å; Y238-L242 PolarHBondContact O-N 3.19Å
239G90.6Very high92.3Very high19 Ų1952.2 Ų52.220%0.19627%0.266CS..Iπ-helixtrans-59.9-47.317200000111.8P235 A236 F237 V243 F244P235-G239 WeakPolarHBondContact O-CA 3.26Å; P235-G239 PolarHBondContact O-N 3.3Å; A236-G239 PolarHBondContact O-N 3.43Å; F237-G239 VanDerWaalsContact C-N 3.31Å; F237-G239 PolarHBondContact O-N 3.05Å; G239-V243 WeakPolarHBondContact O-CA 3.44Å; G239-V243 WeakPolarHBondContact O-CB 2.97Å; G239-V243 PolarHBondContact O-N 3.01Å; G239-F244 PolarHBondContact O-N 2.65Å
240Y91.6Very high92.1Very high179 Ų17952.6 Ų52.670%0.70227%0.269SS*.Iπ-helixtrans-71.8-34.7176.3-74.4-66.7000113.6A236 F237 P245A236-Y240 WeakPolarHBondContact O-CD2 3.41Å; A236-Y240 PolarHBondContact O-N 3.33Å; A236-Y240 VanDerWaalsContact O-N 3.08Å; F237-Y240 PolarHBondContact O-N 2.99Å; Y240-P245 WeakPolarHBondContact O-CD 3.41Å
241L92.2Very high91.8Very high75 Ų7556.2 Ų56.239%0.39329%0.292SS..Iπ-helixtrans-81.3-38.8-176.4-176.761.4000113.4F237 Y238 P245F237-L241 HydrophobicContact CE1-CD2 4.09Å; F237-L241 HydrophobicContact CZ-CD2 4.26Å; F237-L241 WeakPolarHBondContact O-CB 3.31Å; F237-L241 PolarHBondContact O-N 3.3Å; Y238-L241 PolarHBondContact O-N 3.5Å; L241-P245 WeakPolarHBondContact O-CG 3.26Å
242L92.6Very high91.6Very high0 Ų059.5 Ų59.50%031%0.309CS..Iπ-helixtrans-111.9-43.1-170.6-60.7175.3000113F158 Y238 C246 I283 L284 L298 Y302F158-L242 HydrophobicContact CE1-CD1 3.76Å; F158-L242 HydrophobicContact CZ-CD1 4.46Å; Y238-L242 HydrophobicContact CD1-CD1 4.02Å; Y238-L242 WeakPolarHBondContact O-CB 3.39Å; Y238-L242 PolarHBondContact O-N 3.19Å; L242-C246 WeakPolarHBondContact O-CB 3.25Å; L242-I283 HydrophobicContact CD2-CB 4.25Å; L242-I283 HydrophobicContact CD2-CG2 3.73Å; L242-L284 HydrophobicContact CD1-CD1 4.33Å; L242-L298 HydrophobicContact CB-CD2 4.12Å; L242-L298 HydrophobicContact CD1-CD2 4.5Å; L242-Y302 PolarHBondContact O-OH 3.43Å
243V91.1Very high91.5Very high25 Ų2555.5 Ų55.515%0.15229%0.291CS..Iπ-helixtrans-81.4-42.7-174.7-176.20000111.1G239 C246 V247 L574G239-V243 WeakPolarHBondContact O-CA 3.44Å; G239-V243 WeakPolarHBondContact O-CB 2.97Å; G239-V243 PolarHBondContact O-N 3.01Å; V243-C246 VanDerWaalsContact O-CB 3.3Å; V243-C246 WeakPolarHBondContact O-CB 3.44Å; V243-C246 PolarHBondContact O-N 3.27Å; V243-V247 HydrophobicContact CG1-CG2 4.46Å; V243-V247 WeakPolarHBondContact O-CG2 3.11Å; V243-V247 PolarHBondContact O-N 2.84Å; V243-L574 HydrophobicContact CG1-CD2 4.22Å
244F91.4Very high91.1Very high116 Ų11657.4 Ų57.451%0.50930%0.304SS..Hα-helixtrans-65-49.4-177.6176.4-101.2000113.8G239 C246 V247 L248G239-F244 PolarHBondContact O-N 2.65Å; F244-C246 PolarHBondContact O-N 3.43Å; F244-V247 PolarHBondContact O-N 3.47Å; F244-L248 HydrophobicContact CD1-CD1 4.06Å; F244-L248 HydrophobicContact CE1-CD1 3.46Å; F244-L248 VanDerWaalsContact CE1-CD1 3.46Å; F244-L248 HydrophobicContact CE1-CG 4.28Å; F244-L248 HydrophobicContact CE2-CD1 4.4Å; F244-L248 HydrophobicContact CE2-CG 4.43Å; F244-L248 HydrophobicContact CZ-CD1 3.67Å; F244-L248 HydrophobicContact CZ-CD2 4.37Å; F244-L248 HydrophobicContact CZ-CG 4.16Å; F244-L248 PolarHBondContact O-N 2.89Å; F244-L248 VanDerWaalsContact O-N 3.09Å
245P93.1Very high90.7Very high40 Ų4057.8 Ų57.826%0.2631%0.309SS..Hα-helixtrans-62.2-33.4175.8-2536.9000112.5Y240 L241 L248 L249 L280Y240-P245 WeakPolarHBondContact O-CD 3.41Å; L241-P245 WeakPolarHBondContact O-CG 3.26Å; P245-L248 PolarHBondContact O-N 2.93Å; P245-L249 WeakPolarHBondContact O-CB 3.47Å; P245-L249 VanDerWaalsContact O-CG 3.26Å; P245-L249 WeakPolarHBondContact O-CG 3.44Å; P245-L249 PolarHBondContact O-N 3.13Å; P245-L280 HydrophobicContact CB-CD1 4.46Å; P245-L280 HydrophobicContact CB-CD2 4.38Å
246C92.7Very high90.5Very high4 Ų456.2 Ų56.23%0.02730%0.298CS..Hα-helixtrans-60.9-49.3174.5168.50000112L242 V243 F244 L248 L249 S250 L280 F301 Y302L242-C246 WeakPolarHBondContact O-CB 3.25Å; V243-C246 VanDerWaalsContact O-CB 3.3Å; V243-C246 WeakPolarHBondContact O-CB 3.44Å; V243-C246 PolarHBondContact O-N 3.27Å; F244-C246 PolarHBondContact O-N 3.43Å; C246-L248 VanDerWaalsContact C-N 3.32Å; C246-L248 PolarHBondContact O-N 3.28Å; C246-L249 PolarHBondContact O-N 2.84Å; C246-S250 WeakPolarHBondContact O-CB 3.37Å; C246-S250 PolarHBondContact O-N 3.48Å; C246-S250 PolarHBondContact O-OG 2.92Å; C246-L280 HydrophobicContact CB-CD1 4.39Å; C246-F301 VanDerWaalsContact SG-CD1 3.57Å; C246-F301 WeakPolarHBondContact SG-CE1 3.38Å; C246-Y302 HydrophobicContact CB-CE1 3.79Å
247V90.8Very high90.1Very high75 Ų7554.3 Ų54.346%0.45528%0.281SS..Hα-helixtrans-59.4-44.3176.1172.80000110.8V243 F244 S250 V251V243-V247 HydrophobicContact CG1-CG2 4.46Å; V243-V247 WeakPolarHBondContact O-CG2 3.11Å; V243-V247 PolarHBondContact O-N 2.84Å; F244-V247 PolarHBondContact O-N 3.47Å; V247-S250 PolarHBondContact O-N 3.36Å; V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.29Å
248L92.7Very high89.5Confident87 Ų8758.1 Ų58.146%0.45529%0.292SS..Hα-helixtrans-60.8-46.7176.8-69.1178.1000112.1F244 P245 C246 S250 V251 I252F244-L248 HydrophobicContact CD1-CD1 4.06Å; F244-L248 HydrophobicContact CE1-CD1 3.46Å; F244-L248 VanDerWaalsContact CE1-CD1 3.46Å; F244-L248 HydrophobicContact CE1-CG 4.28Å; F244-L248 HydrophobicContact CE2-CD1 4.4Å; F244-L248 HydrophobicContact CE2-CG 4.43Å; F244-L248 HydrophobicContact CZ-CD1 3.67Å; F244-L248 HydrophobicContact CZ-CD2 4.37Å; F244-L248 HydrophobicContact CZ-CG 4.16Å; F244-L248 PolarHBondContact O-N 2.89Å; F244-L248 VanDerWaalsContact O-N 3.09Å; P245-L248 PolarHBondContact O-N 2.93Å; C246-L248 VanDerWaalsContact C-N 3.32Å; C246-L248 PolarHBondContact O-N 3.28Å; L248-S250 VanDerWaalsContact C-N 3.34Å; L248-S250 PolarHBondContact O-N 2.93Å; L248-V251 PolarHBondContact O-N 3.24Å; L248-V251 VanDerWaalsContact O-N 3.17Å; L248-I252 VanDerWaalsContact O-CG1 3.32Å; L248-I252 WeakPolarHBondContact O-CG1 3.23Å; L248-I252 PolarHBondContact O-N 3.07Å
249L93.5Very high89.2Confident29 Ų2959.2 Ų59.215%0.15230%0.3CS..Hα-helixtrans-61.7-42.6177.3-71.9172.6000111.5P245 C246 V251 I252 T253 I273 A276 F277 L280P245-L249 WeakPolarHBondContact O-CB 3.47Å; P245-L249 VanDerWaalsContact O-CG 3.26Å; P245-L249 WeakPolarHBondContact O-CG 3.44Å; P245-L249 PolarHBondContact O-N 3.13Å; C246-L249 PolarHBondContact O-N 2.84Å; L249-V251 VanDerWaalsContact C-N 3.25Å; L249-V251 PolarHBondContact O-N 3.4Å; L249-I252 PolarHBondContact O-N 3.39Å; L249-I252 VanDerWaalsContact O-N 3.16Å; L249-T253 WeakPolarHBondContact O-CG2 3.33Å; L249-T253 PolarHBondContact O-N 2.71Å; L249-T253 PolarHBondContact O-OG1 2.69Å; L249-I273 HydrophobicContact CD2-CG2 4.39Å; L249-A276 HydrophobicContact CD1-CB 3.78Å; L249-A276 HydrophobicContact CD2-CB 3.98Å; L249-F277 HydrophobicContact CB-CE1 4.12Å; L249-F277 HydrophobicContact CB-CE2 4.04Å; L249-F277 HydrophobicContact CB-CZ 3.63Å; L249-F277 HydrophobicContact CD1-CD1 4.37Å; L249-F277 HydrophobicContact CD1-CE1 4.3Å; L249-F277 HydrophobicContact CD1-CZ 4.46Å; L249-L280 HydrophobicContact CD1-CD1 3.63Å
250S89.8Confident88.6Confident11 Ų1160.6 Ų60.68%0.07731%0.305CS..Hα-helixtrans-64.8-24.2175.9-710000114C246 V247 L248 T253 T254C246-S250 WeakPolarHBondContact O-CB 3.37Å; C246-S250 PolarHBondContact O-N 3.48Å; C246-S250 PolarHBondContact O-OG 2.92Å; V247-S250 PolarHBondContact O-N 3.36Å; L248-S250 VanDerWaalsContact C-N 3.34Å; L248-S250 PolarHBondContact O-N 2.93Å; S250-T253 VanDerWaalsContact C-OG1 3.25Å; S250-T253 WeakPolarHBondContact CA-OG1 3.26Å; S250-T253 PolarHBondContact O-OG1 3.42Å; S250-T254 PolarHBondContact O-OG1 3.04Å
251V88.8Confident87.8Confident91 Ų9152.4 Ų52.455%0.55227%0.274SS*.Hα-helixtrans-77.5-41.7171172.80000110.6V247 L248 L249 T253 T254 V255V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.29Å; L248-V251 PolarHBondContact O-N 3.24Å; L248-V251 VanDerWaalsContact O-N 3.17Å; L249-V251 VanDerWaalsContact C-N 3.25Å; L249-V251 PolarHBondContact O-N 3.4Å; V251-T253 VanDerWaalsContact C-N 3.31Å; V251-T253 PolarHBondContact O-N 3.09Å; V251-T254 WeakPolarHBondContact O-CB 3.46Å; V251-T254 PolarHBondContact O-N 3.05Å; V251-T254 VanDerWaalsContact O-N 3.17Å; V251-V255 PolarHBondContact O-N 3.34Å
252I91.3Very high86.8Confident73 Ų7351.7 Ų51.737%0.37427%0.268SS..Hα-helixtrans-64.3-36.3179.4-62.9166.1000111.1L248 L249 T254 V255 I256 I273L248-I252 VanDerWaalsContact O-CG1 3.32Å; L248-I252 WeakPolarHBondContact O-CG1 3.23Å; L248-I252 PolarHBondContact O-N 3.07Å; L249-I252 PolarHBondContact O-N 3.39Å; L249-I252 VanDerWaalsContact O-N 3.16Å; I252-T254 VanDerWaalsContact C-N 3.3Å; I252-T254 PolarHBondContact O-N 3.33Å; I252-V255 VanDerWaalsContact O-CB 3.31Å; I252-V255 WeakPolarHBondContact O-CB 3.42Å; I252-V255 PolarHBondContact O-N 2.97Å; I252-I256 PolarHBondContact O-N 3.33Å; I252-I273 HydrophobicContact CB-CD1 4.12Å; I252-I273 HydrophobicContact CG2-CD1 3.53Å
253T89.6Confident86.3Confident0 Ų055.1 Ų55.10%029%0.286CS..Hα-helixtrans-62.5-34.4174.849.50000112.8L249 S250 V251 V255 I256 F257 I273 F277 L309 Y562L249-T253 WeakPolarHBondContact O-CG2 3.33Å; L249-T253 PolarHBondContact O-N 2.71Å; L249-T253 PolarHBondContact O-OG1 2.69Å; S250-T253 VanDerWaalsContact C-OG1 3.25Å; S250-T253 WeakPolarHBondContact CA-OG1 3.26Å; S250-T253 PolarHBondContact O-OG1 3.42Å; V251-T253 VanDerWaalsContact C-N 3.31Å; V251-T253 PolarHBondContact O-N 3.09Å; T253-V255 VanDerWaalsContact C-N 3.25Å; T253-V255 PolarHBondContact O-N 3.47Å; T253-I256 WeakPolarHBondContact O-CB 3.26Å; T253-I256 PolarHBondContact O-N 3.4Å; T253-I256 VanDerWaalsContact O-N 3.14Å; T253-F257 WeakPolarHBondContact O-CD2 3.35Å; T253-F257 WeakPolarHBondContact O-CE2 3.4Å; T253-I273 HydrophobicContact CG2-CD1 3.87Å; T253-I273 HydrophobicContact CG2-CG2 3.62Å; T253-F277 HydrophobicContact CG2-CE2 4.23Å; T253-L309 HydrophobicContact CG2-CD1 3.98Å; T253-L309 HydrophobicContact CG2-CD2 3.64Å; T253-L309 HydrophobicContact CG2-CG 4.28Å; T253-Y562 VanDerWaalsContact CB-OH 3.28Å; T253-Y562 WeakPolarHBondContact CB-OH 3.39Å; T253-Y562 WeakPolarHBondContact OG1-CE1 3.27Å; T253-Y562 PolarHBondContact OG1-OH 3.16Å
254T84.7Confident86Confident43 Ų4358.3 Ų58.326%0.26431%0.307SS..Hα-helixtrans-61.6-36.3172.5-57.80000111.5S250 V251 I252 I256 F257S250-T254 PolarHBondContact O-OG1 3.04Å; V251-T254 WeakPolarHBondContact O-CB 3.46Å; V251-T254 PolarHBondContact O-N 3.05Å; V251-T254 VanDerWaalsContact O-N 3.17Å; I252-T254 VanDerWaalsContact C-N 3.3Å; I252-T254 PolarHBondContact O-N 3.33Å; T254-I256 VanDerWaalsContact C-N 3.32Å; T254-I256 PolarHBondContact O-N 3.17Å; T254-F257 PolarHBondContact O-N 3.17Å
255V84.6Confident85.8Confident90 Ų9055.1 Ų55.155%0.54530%0.302SS..Hα-helixtrans-66.1-32.1175.7-176.10000111.9V251 I252 T253 F257 W258 L259V251-V255 PolarHBondContact O-N 3.34Å; I252-V255 VanDerWaalsContact O-CB 3.31Å; I252-V255 WeakPolarHBondContact O-CB 3.42Å; I252-V255 PolarHBondContact O-N 2.97Å; T253-V255 VanDerWaalsContact C-N 3.25Å; T253-V255 PolarHBondContact O-N 3.47Å; V255-F257 VanDerWaalsContact C-N 3.26Å; V255-F257 PolarHBondContact O-N 3.41Å; V255-W258 WeakPolarHBondContact O-CB 3.23Å; V255-W258 PolarHBondContact O-N 2.72Å; V255-W258 VanDerWaalsContact O-N 3.08Å; V255-L259 PolarHBondContact O-N 3.43Å
256I85.4Confident85.5Confident3 Ų353.4 Ų53.42%0.01529%0.291CS..Hα-helixtrans-58.2-39.2176.8-66.6179.9000111.5I252 T253 T254 W258 L259 K266 L269 I273I252-I256 PolarHBondContact O-N 3.33Å; T253-I256 WeakPolarHBondContact O-CB 3.26Å; T253-I256 PolarHBondContact O-N 3.4Å; T253-I256 VanDerWaalsContact O-N 3.14Å; T254-I256 VanDerWaalsContact C-N 3.32Å; T254-I256 PolarHBondContact O-N 3.17Å; I256-W258 PolarHBondContact O-N 2.66Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 2.8Å; I256-L259 VanDerWaalsContact O-N 3.13Å; I256-K266 HydrophobicContact CG2-CG 3.81Å; I256-L269 HydrophobicContact CD1-CD2 4.3Å; I256-L269 HydrophobicContact CD1-CG 3.96Å; I256-L269 HydrophobicContact CG1-CD2 3.7Å; I256-L269 HydrophobicContact CG1-CG 3.93Å; I256-I273 HydrophobicContact CD1-CD1 3.5Å; I256-I273 HydrophobicContact CG1-CD1 4.33Å
257F82.4Confident85.2Confident9 Ų957.2 Ų57.24%0.03931%0.309CS..THydrogen-bonded Turntrans-73-14-178.7-60.1-75.9000113.6T253 T254 V255 S312 F558 C559 Y562T253-F257 WeakPolarHBondContact O-CD2 3.35Å; T253-F257 WeakPolarHBondContact O-CE2 3.4Å; T254-F257 PolarHBondContact O-N 3.17Å; V255-F257 VanDerWaalsContact C-N 3.26Å; V255-F257 PolarHBondContact O-N 3.41Å; F257-S312 WeakPolarHBondContact CE1-OG 3.43Å; F257-F558 HydrophobicContact CD1-CB 3.97Å; F257-F558 HydrophobicContact CE1-CB 3.73Å; F257-C559 HydrophobicContact CB-CB 3.47Å; F257-C559 VanDerWaalsContact CB-CB 3.47Å; F257-C559 HydrophobicContact CD2-CB 4.24Å; F257-C559 HydrophobicContact CG-CB 3.86Å; F257-Y562 HydrophobicContact CD2-CD1 4.31Å; F257-Y562 HydrophobicContact CD2-CG 4.5Å; F257-Y562 AromaticContact CE2-CD1 3.48Å; F257-Y562 HydrophobicContact CE2-CD1 3.48Å; F257-Y562 VanDerWaalsContact CE2-CD1 3.48Å; F257-Y562 HydrophobicContact CE2-CD2 4.03Å; F257-Y562 HydrophobicContact CE2-CE1 4.14Å; F257-Y562 AromaticContact CE2-CG 3.42Å; F257-Y562 HydrophobicContact CE2-CG 3.42Å; F257-Y562 VanDerWaalsContact CE2-CG 3.42Å; F257-Y562 HydrophobicContact CZ-CD1 4.27Å; F257-Y562 HydrophobicContact CZ-CD2 4.03Å; F257-Y562 AromaticContact CZ-CG 3.73Å; F257-Y562 HydrophobicContact CZ-CG 3.73Å
258W80.6Confident85.2Confident217 Ų21758.3 Ų58.382%0.82231%0.311SS*.THydrogen-bonded Turntrans-84.2-21.2171.6-75.150.6000112.1V255 I256V255-W258 WeakPolarHBondContact O-CB 3.23Å; V255-W258 PolarHBondContact O-N 2.72Å; V255-W258 VanDerWaalsContact O-N 3.08Å; I256-W258 PolarHBondContact O-N 2.66Å
259L84.1Confident85.1Confident58 Ų5857 Ų5730%0.30431%0.305SS..SBendtrans-77.6129.4-178.9-159.471.1000110.2V255 I256 I263 A265 K266V255-L259 PolarHBondContact O-N 3.43Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 2.8Å; I256-L259 VanDerWaalsContact O-N 3.13Å; L259-I263 HydrophobicContact CD1-CD1 4.4Å; L259-A265 HydrophobicContact CD2-CB 4.46Å; L259-K266 HydrophobicContact CD2-CB 3.96Å
260P77.7Confident85Confident47 Ų4756 Ų5631%0.30530%0.3SS..  trans-63.5136.7-177.623.6-32000110.7Q262 I263P260-Q262 PolarHBondContact O-N 2.83Å; P260-I263 HydrophobicContact CG-CD1 3.57Å; P260-I263 HydrophobicContact CG-CG1 4.01Å; P260-I263 PolarHBondContact O-N 3.41Å
261P73.9Confident85Confident7 Ų761 Ų615%0.04532%0.323CS..THydrogen-bonded Turntrans-69.4-8.6-170.523.6-32.4000114.8I263 K266 V320 L551 D555P261-I263 VanDerWaalsContact C-N 3.3Å; P261-K266 HydrophobicContact CB-CD 4.24Å; P261-V320 VanDerWaalsContact O-CG2 3.29Å; P261-V320 WeakPolarHBondContact O-CG2 3.37Å; P261-L551 HydrophobicContact CB-CD2 4.02Å; P261-L551 HydrophobicContact CG-CB 3.6Å; P261-L551 HydrophobicContact CG-CD1 4.1Å; P261-L551 HydrophobicContact CG-CD2 3.43Å; P261-L551 VanDerWaalsContact CG-CD2 3.43Å; P261-L551 HydrophobicContact CG-CG 3.9Å; P261-D555 VanDerWaalsContact CD-OD2 3.26Å; P261-D555 WeakPolarHBondContact CD-OD2 3.18Å; P261-D555 WeakPolarHBondContact CG-OD2 3.2Å
262Q72.8Confident85.3Confident61 Ų6161 Ų6129%0.28532%0.32SS..THydrogen-bonded Turntrans-77-18.2177-60.9-177.7-3.100112.8P260 R548 L551P260-Q262 PolarHBondContact O-N 2.83Å; Q262-R548 VanDerWaalsContact NE2-CG 3.32Å; Q262-L551 HydrophobicContact CG-CD1 4.21Å
263I82.1Confident85.4Confident72 Ų7257.8 Ų57.837%0.36930%0.303SS..SBendtrans-85122.4-177.3-54.2179.3000108.8L259 P260 P261 A265 K266L259-I263 HydrophobicContact CD1-CD1 4.4Å; P260-I263 HydrophobicContact CG-CD1 3.57Å; P260-I263 HydrophobicContact CG-CG1 4.01Å; P260-I263 PolarHBondContact O-N 3.41Å; P261-I263 VanDerWaalsContact C-N 3.3Å; I263-A265 HydrophobicContact CG2-CB 3.62Å; I263-A265 PolarHBondContact O-N 3.28Å; I263-A265 VanDerWaalsContact O-N 3.07Å; I263-K266 WeakPolarHBondContact O-CB 3.38Å; I263-K266 PolarHBondContact O-N 3.44Å
264P84.6Confident85.6Confident92 Ų9261.3 Ų61.360%0.59732%0.319SS*.Hα-helixtrans-59-24.8178.823.3-33.6000112.8K266 M267 I268P264-K266 PolarHBondContact O-N 2.79Å; P264-M267 PolarHBondContact O-N 3.19Å; P264-M267 VanDerWaalsContact O-N 3.13Å; P264-I268 PolarHBondContact O-N 3.02Å
265A87.2Confident86.2Confident48 Ų4862.8 Ų62.840%0.39733%0.328SS..Hα-helixtrans-55.4-31.3173.500000113.5L259 I263 I268 L269L259-A265 HydrophobicContact CD2-CB 4.46Å; I263-A265 HydrophobicContact CG2-CB 3.62Å; I263-A265 PolarHBondContact O-N 3.28Å; I263-A265 VanDerWaalsContact O-N 3.07Å; A265-I268 PolarHBondContact O-N 2.75Å; A265-L269 VanDerWaalsContact O-CB 3.26Å; A265-L269 WeakPolarHBondContact O-CB 3.43Å; A265-L269 PolarHBondContact O-N 3.44Å
266K86.3Confident86.7Confident5 Ų559.8 Ų59.82%0.02231%0.312CS..Hα-helixtrans-60.5-47.2176-171.3-172.7178.6-169.80111.2I256 L259 P261 I263 P264 S270 S316 D555I256-K266 HydrophobicContact CG2-CG 3.81Å; L259-K266 HydrophobicContact CD2-CB 3.96Å; P261-K266 HydrophobicContact CB-CD 4.24Å; I263-K266 WeakPolarHBondContact O-CB 3.38Å; I263-K266 PolarHBondContact O-N 3.44Å; P264-K266 PolarHBondContact O-N 2.79Å; K266-S270 WeakPolarHBondContact O-CB 3.4Å; K266-S270 PolarHBondContact O-N 3.44Å; K266-S270 PolarHBondContact O-OG 3.35Å; K266-S316 PolarHBondContact NZ-OG 3.49Å; K266-D555 IonicContact NZ-OD1 3.17Å; K266-D555 PolarHBondContact NZ-OD1 2.98Å; K266-D555 IonicContact NZ-OD2 2.75Å; K266-D555 PolarHBondContact NZ-OD2 2.93Å
267M85.7Confident87.2Confident84 Ų8459.6 Ų59.641%0.41431%0.311SS..Hα-helixtrans-67-43.9-179.2-66.6-177.362.400111.2P264 L269 S270 M271 T317P264-M267 PolarHBondContact O-N 3.19Å; P264-M267 VanDerWaalsContact O-N 3.13Å; M267-L269 PolarHBondContact O-N 3Å; M267-S270 WeakPolarHBondContact CA-OG 3.48Å; M267-S270 PolarHBondContact O-N 3.47Å; M267-S270 PolarHBondContact O-OG 2.98Å; M267-M271 PolarHBondContact O-N 3.24Å; M267-T317 HydrophobicContact CE-CG2 3.4Å; M267-T317 VanDerWaalsContact CE-CG2 3.4Å; M267-T317 HydrophobicContact SD-CG2 4.15Å
268I90.5Very high87.8Confident98 Ų9861.3 Ų61.350%0.50332%0.324SS..Hα-helixtrans-61.5-47.2177.6-64169.6000110.7P264 A265 S270 M271 N272P264-I268 PolarHBondContact O-N 3.02Å; A265-I268 PolarHBondContact O-N 2.75Å; I268-S270 VanDerWaalsContact C-N 3.34Å; I268-S270 PolarHBondContact O-N 2.92Å; I268-M271 PolarHBondContact O-N 3.14Å; I268-N272 PolarHBondContact O-N 3.3Å
269L91.7Very high88.5Confident60 Ų6055.9 Ų55.931%0.31431%0.311SS..Hα-helixtrans-61.1-43.4178.6-178.258000111.4I256 A265 M267 M271 N272 I273I256-L269 HydrophobicContact CD1-CD2 4.3Å; I256-L269 HydrophobicContact CD1-CG 3.96Å; I256-L269 HydrophobicContact CG1-CD2 3.7Å; I256-L269 HydrophobicContact CG1-CG 3.93Å; A265-L269 VanDerWaalsContact O-CB 3.26Å; A265-L269 WeakPolarHBondContact O-CB 3.43Å; A265-L269 PolarHBondContact O-N 3.44Å; M267-L269 PolarHBondContact O-N 3Å; L269-M271 PolarHBondContact O-N 3.05Å; L269-N272 PolarHBondContact O-N 3.22Å; L269-I273 HydrophobicContact CD1-CD1 4.38Å; L269-I273 HydrophobicContact CD1-CG1 4.47Å; L269-I273 HydrophobicContact CG-CD1 4.42Å; L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 2.82Å
270S90.7Very high89Confident7 Ų753.8 Ų53.85%0.04930%0.3CS..Hα-helixtrans-63.4-39178680000113.6K266 M267 I268 I273 F274 T313K266-S270 WeakPolarHBondContact O-CB 3.4Å; K266-S270 PolarHBondContact O-N 3.44Å; K266-S270 PolarHBondContact O-OG 3.35Å; M267-S270 WeakPolarHBondContact CA-OG 3.48Å; M267-S270 PolarHBondContact O-N 3.47Å; M267-S270 PolarHBondContact O-OG 2.98Å; I268-S270 VanDerWaalsContact C-N 3.34Å; I268-S270 PolarHBondContact O-N 2.92Å; S270-I273 PolarHBondContact O-N 2.69Å; S270-F274 PolarHBondContact O-N 3.4Å; S270-T313 WeakPolarHBondContact OG-CG2 3.41Å
271M91.2Very high89.8Confident117 Ų11754 Ų5458%0.57630%0.298SS*.Hα-helixtrans-65.7-42.7175.4-172.7179.377.800111.2M267 I268 L269 I273 F274 V275M267-M271 PolarHBondContact O-N 3.24Å; I268-M271 PolarHBondContact O-N 3.14Å; L269-M271 PolarHBondContact O-N 3.05Å; M271-I273 VanDerWaalsContact C-N 3.34Å; M271-I273 PolarHBondContact O-N 3.02Å; M271-F274 WeakPolarHBondContact O-CB 3.37Å; M271-F274 PolarHBondContact O-N 3.39Å; M271-V275 WeakPolarHBondContact O-CG2 3.24Å; M271-V275 PolarHBondContact O-N 2.94Å
272N94Very high90.7Very high90 Ų9060.5 Ų60.548%0.48133%0.326SS..Hα-helixtrans-62.8-40.6178.1-70.9-16000112.1I268 L269 V275 A276I268-N272 PolarHBondContact O-N 3.3Å; L269-N272 PolarHBondContact O-N 3.22Å; N272-V275 PolarHBondContact O-N 3Å; N272-A276 PolarHBondContact O-N 3.25Å
273I93.7Very high91.7Very high5 Ų561 Ų613%0.02633%0.33CS..Hα-helixtrans-68.7-38.1176.3-64.1-179.6000111.5L249 I252 T253 I256 L269 S270 M271 V275 A276 F277 L309L249-I273 HydrophobicContact CD2-CG2 4.39Å; I252-I273 HydrophobicContact CB-CD1 4.12Å; I252-I273 HydrophobicContact CG2-CD1 3.53Å; T253-I273 HydrophobicContact CG2-CD1 3.87Å; T253-I273 HydrophobicContact CG2-CG2 3.62Å; I256-I273 HydrophobicContact CD1-CD1 3.5Å; I256-I273 HydrophobicContact CG1-CD1 4.33Å; L269-I273 HydrophobicContact CD1-CD1 4.38Å; L269-I273 HydrophobicContact CD1-CG1 4.47Å; L269-I273 HydrophobicContact CG-CD1 4.42Å; L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 2.82Å; S270-I273 PolarHBondContact O-N 2.69Å; M271-I273 VanDerWaalsContact C-N 3.34Å; M271-I273 PolarHBondContact O-N 3.02Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 2.85Å; I273-A276 WeakPolarHBondContact O-CB 3.35Å; I273-A276 PolarHBondContact O-N 2.88Å; I273-A276 VanDerWaalsContact O-N 3.16Å; I273-F277 HydrophobicContact CG2-CD2 3.6Å; I273-F277 HydrophobicContact CG2-CE2 3.48Å; I273-F277 VanDerWaalsContact CG2-CE2 3.48Å; I273-F277 WeakPolarHBondContact O-CD2 3.48Å; I273-F277 PolarHBondContact O-N 2.91Å; I273-L309 HydrophobicContact CG2-CD1 3.8Å
274F94.3Very high92.1Very high75 Ų7557.7 Ų57.733%0.32931%0.313SS..Hα-helixtrans-58.3-45.2173.9-178.9-83.4000111.5S270 M271 A276 F277 S278 M306 S310S270-F274 PolarHBondContact O-N 3.4Å; M271-F274 WeakPolarHBondContact O-CB 3.37Å; M271-F274 PolarHBondContact O-N 3.39Å; F274-A276 VanDerWaalsContact C-N 3.34Å; F274-F277 PolarHBondContact O-N 3.16Å; F274-S278 WeakPolarHBondContact O-CB 3.18Å; F274-S278 PolarHBondContact O-N 2.91Å; F274-S278 PolarHBondContact O-OG 3.05Å; F274-M306 HydrophobicContact CD2-CB 4.06Å; F274-M306 HydrophobicContact CD2-CG 4.1Å; F274-M306 HydrophobicContact CE2-CB 3.77Å; F274-M306 HydrophobicContact CE2-CG 4.08Å; F274-M306 HydrophobicContact CE2-SD 4.38Å; F274-M306 HydrophobicContact CZ-SD 4.43Å; F274-S310 WeakPolarHBondContact CE2-OG 3.45Å
275V96.3Very high92.3Very high74 Ų7455.8 Ų55.845%0.44831%0.305SS..Hα-helixtrans-62.7-42174.9174.10000110.8M271 N272 I273 F277 S278 L279M271-V275 WeakPolarHBondContact O-CG2 3.24Å; M271-V275 PolarHBondContact O-N 2.94Å; N272-V275 PolarHBondContact O-N 3Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 2.85Å; V275-F277 PolarHBondContact O-N 2.93Å; V275-S278 WeakPolarHBondContact O-CB 3.33Å; V275-S278 PolarHBondContact O-N 2.95Å; V275-S278 VanDerWaalsContact O-N 3.17Å; V275-L279 HydrophobicContact CG1-CD1 4.25Å; V275-L279 HydrophobicContact CG1-CG 4.45Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 2.92Å
276A96.2Very high92.4Very high26 Ų2658.9 Ų58.922%0.21532%0.318CS..Hα-helixtrans-60.7-45177.100000112.5L249 N272 I273 F274 S278 L279 L280L249-A276 HydrophobicContact CD1-CB 3.78Å; L249-A276 HydrophobicContact CD2-CB 3.98Å; N272-A276 PolarHBondContact O-N 3.25Å; I273-A276 WeakPolarHBondContact O-CB 3.35Å; I273-A276 PolarHBondContact O-N 2.88Å; I273-A276 VanDerWaalsContact O-N 3.16Å; F274-A276 VanDerWaalsContact C-N 3.34Å; A276-S278 VanDerWaalsContact C-N 3.33Å; A276-S278 PolarHBondContact O-N 3.5Å; A276-L279 PolarHBondContact O-N 3.39Å; A276-L280 PolarHBondContact O-N 3.01Å
277F95.1Very high92.2Very high0 Ų060.3 Ų60.30%033%0.329CS..Hα-helixtrans-64.5-36.2173.4-80.7-61.7000112.7L249 T253 I273 F274 V275 L279 L280 L281 Y302 N305 M306 L309L249-F277 HydrophobicContact CB-CE1 4.12Å; L249-F277 HydrophobicContact CB-CE2 4.04Å; L249-F277 HydrophobicContact CB-CZ 3.63Å; L249-F277 HydrophobicContact CD1-CD1 4.37Å; L249-F277 HydrophobicContact CD1-CE1 4.3Å; L249-F277 HydrophobicContact CD1-CZ 4.46Å; T253-F277 HydrophobicContact CG2-CE2 4.23Å; I273-F277 HydrophobicContact CG2-CD2 3.6Å; I273-F277 HydrophobicContact CG2-CE2 3.48Å; I273-F277 VanDerWaalsContact CG2-CE2 3.48Å; I273-F277 WeakPolarHBondContact O-CD2 3.48Å; I273-F277 PolarHBondContact O-N 2.91Å; F274-F277 PolarHBondContact O-N 3.16Å; V275-F277 PolarHBondContact O-N 2.93Å; F277-L279 VanDerWaalsContact C-N 3.33Å; F277-L279 PolarHBondContact O-N 2.93Å; F277-L280 HydrophobicContact CD1-CD1 4.4Å; F277-L280 PolarHBondContact O-N 3.29Å; F277-L281 WeakPolarHBondContact O-CB 3.5Å; F277-L281 PolarHBondContact O-N 3.48Å; F277-Y302 AromaticContact CD1-CD1 3.96Å; F277-Y302 HydrophobicContact CD1-CD1 3.96Å; F277-Y302 HydrophobicContact CE1-CD1 4.28Å; F277-N305 HydrophobicContact CD1-CB 4.5Å; F277-N305 HydrophobicContact CD2-CB 4.25Å; F277-N305 HydrophobicContact CE1-CB 4.24Å; F277-N305 HydrophobicContact CE2-CB 3.97Å; F277-N305 HydrophobicContact CZ-CB 3.97Å; F277-M306 HydrophobicContact CB-CG 3.68Å; F277-M306 HydrophobicContact CB-SD 4.05Å; F277-M306 HydrophobicContact CG-CG 4.49Å; F277-L309 HydrophobicContact CD2-CD1 3.86Å; F277-L309 HydrophobicContact CE2-CD1 3.95Å
278S95.1Very high92.2Very high44 Ų4456.9 Ų56.931%0.30831%0.313SS..Hα-helixtrans-63.8-39.2174.9-59.90000111.8F274 V275 A276 L281 K282 M306F274-S278 WeakPolarHBondContact O-CB 3.18Å; F274-S278 PolarHBondContact O-N 2.91Å; F274-S278 PolarHBondContact O-OG 3.05Å; V275-S278 WeakPolarHBondContact O-CB 3.33Å; V275-S278 PolarHBondContact O-N 2.95Å; V275-S278 VanDerWaalsContact O-N 3.17Å; A276-S278 VanDerWaalsContact C-N 3.33Å; A276-S278 PolarHBondContact O-N 3.5Å; S278-L281 PolarHBondContact O-N 2.89Å; S278-K282 WeakPolarHBondContact O-CB 3.35Å; S278-K282 PolarHBondContact O-N 2.89Å; S278-M306 PolarHBondContact OG-SD 3.19Å
279L95.7Very high91.8Very high103 Ų10352.3 Ų52.354%0.53929%0.29SS..Hα-helixtrans-66-43.9174.2-69.6172.4000111.6V275 A276 F277 L281 K282 I283V275-L279 HydrophobicContact CG1-CD1 4.25Å; V275-L279 HydrophobicContact CG1-CG 4.45Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 2.92Å; A276-L279 PolarHBondContact O-N 3.39Å; F277-L279 VanDerWaalsContact C-N 3.33Å; F277-L279 PolarHBondContact O-N 2.93Å; L279-L281 PolarHBondContact O-N 2.88Å; L279-K282 WeakPolarHBondContact O-CB 3.47Å; L279-K282 PolarHBondContact O-N 3.21Å; L279-K282 VanDerWaalsContact O-N 3.16Å; L279-I283 WeakPolarHBondContact O-CG1 3.22Å; L279-I283 PolarHBondContact O-N 3.27Å
280L94.7Very high90.8Very high15 Ų1554.6 Ų54.68%0.07931%0.311CS..Hα-helixtrans-61.8-41.9175.3-71.4177.4000112.2P245 C246 L249 A276 F277 K282 I283 L284 Y302P245-L280 HydrophobicContact CB-CD1 4.46Å; P245-L280 HydrophobicContact CB-CD2 4.38Å; C246-L280 HydrophobicContact CB-CD1 4.39Å; L249-L280 HydrophobicContact CD1-CD1 3.63Å; A276-L280 PolarHBondContact O-N 3.01Å; F277-L280 HydrophobicContact CD1-CD1 4.4Å; F277-L280 PolarHBondContact O-N 3.29Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.35Å; L280-I283 PolarHBondContact O-N 3.27Å; L280-L284 WeakPolarHBondContact O-CB 3.2Å; L280-L284 PolarHBondContact O-N 3.39Å; L280-Y302 HydrophobicContact CB-CD2 4.49Å; L280-Y302 HydrophobicContact CB-CE1 4.43Å; L280-Y302 HydrophobicContact CB-CE2 4.01Å; L280-Y302 HydrophobicContact CD1-CE1 4.39Å
281L93.5Very high89.4Confident52 Ų5258.1 Ų58.127%0.27234%0.34SS..Hα-helixtrans-62.8-37.4174.4-178.862.9000111.6F277 S278 L279 L284 A285 Y302 M306F277-L281 WeakPolarHBondContact O-CB 3.5Å; F277-L281 PolarHBondContact O-N 3.48Å; S278-L281 PolarHBondContact O-N 2.89Å; L279-L281 PolarHBondContact O-N 2.88Å; L281-L284 HydrophobicContact CD1-CD2 4.42Å; L281-L284 PolarHBondContact O-N 2.93Å; L281-A285 WeakPolarHBondContact O-CB 3.04Å; L281-A285 PolarHBondContact O-N 2.85Å; L281-Y302 HydrophobicContact CB-CD2 4.08Å; L281-Y302 HydrophobicContact CD1-CD2 4.15Å; L281-M306 HydrophobicContact CB-CE 4.39Å; L281-M306 HydrophobicContact CD2-CE 3.69Å
282K93.5Very high88.3Confident142 Ų14254.2 Ų54.262%0.61732%0.324SS*.Hα-helixtrans-64.7-43.8174.7-174.9178.7179.6179.90112S278 L279 L280 L284 A285 V286S278-K282 WeakPolarHBondContact O-CB 3.35Å; S278-K282 PolarHBondContact O-N 2.89Å; L279-K282 WeakPolarHBondContact O-CB 3.47Å; L279-K282 PolarHBondContact O-N 3.21Å; L279-K282 VanDerWaalsContact O-N 3.16Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-K282 PolarHBondContact O-N 3.35Å; K282-L284 VanDerWaalsContact C-N 3.31Å; K282-L284 PolarHBondContact O-N 3.37Å; K282-A285 PolarHBondContact O-N 2.86Å; K282-V286 WeakPolarHBondContact O-CG2 3.32Å; K282-V286 PolarHBondContact O-N 3.3Å; K282-V286 VanDerWaalsContact O-N 3.09Å
283I92.9Very high87.3Confident72 Ų7256.8 Ų56.837%0.36934%0.343SS..Hα-helixtrans-62.1-42.8176.5-63.4166.8000110L242 L279 L280 V286 S287L242-I283 HydrophobicContact CD2-CB 4.25Å; L242-I283 HydrophobicContact CD2-CG2 3.73Å; L279-I283 WeakPolarHBondContact O-CG1 3.22Å; L279-I283 PolarHBondContact O-N 3.27Å; L280-I283 PolarHBondContact O-N 3.27Å; I283-V286 PolarHBondContact O-N 2.63Å; I283-S287 PolarHBondContact O-N 2.98Å; I283-S287 VanDerWaalsContact O-N 3.17Å; I283-S287 PolarHBondContact O-OG 2.87Å
284L91.5Very high86.7Confident3 Ų359.5 Ų59.52%0.01636%0.357CS..Hα-helixtrans-59.8-47.3174.8-179.461.9000111.6F158 L242 L280 L281 K282 V286 S287 T288 P296 L298 Y302F158-L284 HydrophobicContact CD1-CD1 3.86Å; F158-L284 HydrophobicContact CE1-CD1 3.85Å; L242-L284 HydrophobicContact CD1-CD1 4.33Å; L280-L284 WeakPolarHBondContact O-CB 3.2Å; L280-L284 PolarHBondContact O-N 3.39Å; L281-L284 HydrophobicContact CD1-CD2 4.42Å; L281-L284 PolarHBondContact O-N 2.93Å; K282-L284 VanDerWaalsContact C-N 3.31Å; K282-L284 PolarHBondContact O-N 3.37Å; L284-V286 VanDerWaalsContact C-N 3.27Å; L284-V286 PolarHBondContact O-N 3.47Å; L284-S287 PolarHBondContact O-N 3.49Å; L284-T288 HydrophobicContact CD1-CG2 3.97Å; L284-T288 HydrophobicContact CG-CG2 4.48Å; L284-T288 PolarHBondContact O-N 2.76Å; L284-T288 PolarHBondContact O-OG1 3.44Å; L284-T288 VanDerWaalsContact O-OG1 3.08Å; L284-P296 HydrophobicContact CD1-CG 4.2Å; L284-P296 HydrophobicContact CD2-CG 3.91Å; L284-P296 HydrophobicContact CG-CG 4.24Å; L284-L298 HydrophobicContact CD1-CD2 4.31Å; L284-L298 HydrophobicContact CD2-CB 4.32Å; L284-L298 HydrophobicContact CD2-CD2 4.46Å; L284-L298 HydrophobicContact CD2-CG 4.33Å; L284-Y302 HydrophobicContact CB-CE2 4.24Å; L284-Y302 HydrophobicContact CD2-CD2 4.01Å; L284-Y302 HydrophobicContact CD2-CE2 3.81Å
285A89.4Confident86.3Confident51 Ų5159.1 Ų59.142%0.42136%0.361SS..Hα-helixtrans-62.7-30.4-179.700000113.7L281 K282L281-A285 WeakPolarHBondContact O-CB 3.04Å; L281-A285 PolarHBondContact O-N 2.85Å; K282-A285 PolarHBondContact O-N 2.86Å
286V87.6Confident86Confident113 Ų11355.9 Ų55.969%0.68534%0.341SS*.Hα-helixtrans-75.9-29.3174.7173.80000111.7K282 I283 L284K282-V286 WeakPolarHBondContact O-CG2 3.32Å; K282-V286 PolarHBondContact O-N 3.3Å; K282-V286 VanDerWaalsContact O-N 3.09Å; I283-V286 PolarHBondContact O-N 2.63Å; L284-V286 VanDerWaalsContact C-N 3.27Å; L284-V286 PolarHBondContact O-N 3.47Å
287S83.9Confident85.8Confident35 Ų3558.7 Ų58.725%0.24535%0.347CS..Hα-helixtrans-84.8-17.4-178.8-49.20000113.1I283 L284I283-S287 PolarHBondContact O-N 2.98Å; I283-S287 VanDerWaalsContact O-N 3.17Å; I283-S287 PolarHBondContact O-OG 2.87Å; L284-S287 PolarHBondContact O-N 3.49Å
288T85Confident85.6Confident13 Ų1359 Ų598%0.0835%0.349CS..SBendtrans-106.8151.7-179.856.40000111.9I155 L284 S290 P296I155-T288 HydrophobicContact CD1-CG2 3.98Å; L284-T288 HydrophobicContact CD1-CG2 3.97Å; L284-T288 HydrophobicContact CG-CG2 4.48Å; L284-T288 PolarHBondContact O-N 2.76Å; L284-T288 PolarHBondContact O-OG1 3.44Å; L284-T288 VanDerWaalsContact O-OG1 3.08Å; T288-S290 PolarHBondContact O-N 3.49Å; T288-P296 HydrophobicContact CG2-CG 4.36Å
289P82.8Confident85.5Confident2 Ų256.9 Ų56.91%0.01333%0.334CS..  trans-55132172.414.6-24.3000112.6E68 I155 A291 S292E68-P289 WeakPolarHBondContact O-CB 3.42Å; E68-P289 VanDerWaalsContact O-CG 3.31Å; E68-P289 WeakPolarHBondContact O-CG 3.32Å; I155-P289 HydrophobicContact CD1-CG 4.29Å; I155-P289 HydrophobicContact CG2-CG 4.13Å; P289-A291 PolarHBondContact O-N 3.08Å; P289-S292 PolarHBondContact O-OG 3.16Å
290S69Low85.3Confident108 Ų10858.5 Ų58.576%0.75533%0.334SS*.THydrogen-bonded Turntrans-68.3-17.4174-46.20000112.4T288T288-S290 PolarHBondContact O-N 3.49Å
291A63.1Low85.2Confident80 Ų8058.4 Ų58.466%0.66133%0.333SS*.THydrogen-bonded Turntrans-100.19.3-173.500000114.3P289P289-A291 PolarHBondContact O-N 3.08Å
292S66.9Low85.2Confident36 Ų3655.9 Ų55.925%0.25232%0.32SS..  trans-76.6130.3177.163.20000110.9I155 P289 I294I155-S292 VanDerWaalsContact CD1-OG 3.27Å; I155-S292 WeakPolarHBondContact CD1-OG 3.43Å; P289-S292 PolarHBondContact O-OG 3.16Å; S292-I294 WeakPolarHBondContact CB-O 3.21Å; S292-I294 PolarHBondContact O-N 2.99Å; S292-I294 VanDerWaalsContact O-N 3.12Å; S292-I294 PolarHBondContact OG-O 2.9Å
293T73.5Confident85.2Confident143 Ų14351.8 Ų51.888%0.87731%0.308SS*.SBendtrans-65.3-8.3168.250.90000112.5
294I82Confident85.2Confident62 Ų6251 Ų5132%0.31831%0.305SS..SBendtrans-126.2129.8-171.2-60.5147.4000109K156 S292K156-I294 HydrophobicContact CD-CG2 4.41Å; K156-I294 HydrophobicContact CG-CG2 3.47Å; K156-I294 VanDerWaalsContact CG-CG2 3.47Å; S292-I294 WeakPolarHBondContact CB-O 3.21Å; S292-I294 PolarHBondContact O-N 2.99Å; S292-I294 VanDerWaalsContact O-N 3.12Å; S292-I294 PolarHBondContact OG-O 2.9Å
295V85.4Confident85.2Confident68 Ų6850.9 Ų50.941%0.41230%0.304SS..  trans-91.8139173.8-179.90000108.6Y300V295-Y300 HydrophobicContact CB-CD2 4.44Å; V295-Y300 HydrophobicContact CB-CE2 3.88Å; V295-Y300 HydrophobicContact CG1-CD2 4.46Å; V295-Y300 HydrophobicContact CG1-CE2 4.37Å; V295-Y300 WeakPolarHBondContact O-CE2 3.5Å
296P90.3Very high85.4Confident5 Ų549.4 Ų49.43%0.03229%0.288CS..  trans-60.3148.6175.226.4-37000111.4I155 F158 L284 T288 L298 G299 Y300I155-P296 WeakPolarHBondContact O-CB 3.09Å; F158-P296 HydrophobicContact CB-CB 4.18Å; L284-P296 HydrophobicContact CD1-CG 4.2Å; L284-P296 HydrophobicContact CD2-CG 3.91Å; L284-P296 HydrophobicContact CG-CG 4.24Å; T288-P296 HydrophobicContact CG2-CG 4.36Å; P296-L298 PolarHBondContact O-N 3.49Å; P296-L298 VanDerWaalsContact O-N 3.12Å; P296-G299 WeakPolarHBondContact O-CA 3.41Å; P296-G299 PolarHBondContact O-N 3.44Å; P296-Y300 PolarHBondContact O-N 2.9Å
297Y90.3Very high85.6Confident85 Ų8548.5 Ų48.533%0.33328%0.283SS..Hα-helixtrans-55.6-33.5176.5-68.3-59.1000112.8K156 N157 G299 Y300 F301 Y572 L573K156-Y297 HydrophobicContact CB-CE2 4.29Å; K156-Y297 WeakPolarHBondContact O-CD2 3.45Å; K156-Y297 PolarHBondContact O-N 3.17Å; N157-Y297 WeakPolarHBondContact OD1-CE2 3.28Å; Y297-G299 VanDerWaalsContact C-N 3.28Å; Y297-G299 PolarHBondContact O-N 3.33Å; Y297-Y300 HydrophobicContact CD1-CD2 4.44Å; Y297-Y300 WeakPolarHBondContact O-CB 3.31Å; Y297-Y300 PolarHBondContact O-N 3.4Å; Y297-F301 PolarHBondContact O-N 2.75Å; Y297-Y572 AromaticContact CD1-CE1 3.92Å; Y297-Y572 HydrophobicContact CD1-CE1 3.92Å; Y297-Y572 HydrophobicContact CD2-CE1 4.35Å; Y297-Y572 AromaticContact CE1-CE1 3.95Å; Y297-Y572 HydrophobicContact CE1-CE1 3.95Å; Y297-Y572 HydrophobicContact CE2-CE1 4.37Å; Y297-Y572 HydrophobicContact CG-CE1 4.14Å; Y297-L573 WeakPolarHBondContact O-CD2 3.42Å
298L91.5Very high86Confident7 Ų748 Ų484%0.03728%0.278CS..Hα-helixtrans-59.1-37.7174.5-171.163.3000112.6L242 L284 P296 F301 Y302 L573L242-L298 HydrophobicContact CB-CD2 4.12Å; L242-L298 HydrophobicContact CD1-CD2 4.5Å; L284-L298 HydrophobicContact CD1-CD2 4.31Å; L284-L298 HydrophobicContact CD2-CB 4.32Å; L284-L298 HydrophobicContact CD2-CD2 4.46Å; L284-L298 HydrophobicContact CD2-CG 4.33Å; P296-L298 PolarHBondContact O-N 3.49Å; P296-L298 VanDerWaalsContact O-N 3.12Å; L298-F301 WeakPolarHBondContact O-CB 3.5Å; L298-F301 PolarHBondContact O-N 2.92Å; L298-Y302 HydrophobicContact CD1-CE1 4.08Å; L298-Y302 HydrophobicContact CD2-CE2 4.46Å; L298-Y302 HydrophobicContact CG-CE1 4.3Å; L298-Y302 HydrophobicContact CG-CE2 4.06Å; L298-Y302 PolarHBondContact O-N 3.31Å; L298-Y302 VanDerWaalsContact O-N 3.14Å; L298-L573 HydrophobicContact CD1-CD1 4.44Å
299G92.3Very high86.3Confident0 Ų047.5 Ų47.50%028%0.275CS..Hα-helixtrans-67.1-42.4175.700000112.3P296 Y297 F301 Y302 C303P296-G299 WeakPolarHBondContact O-CA 3.41Å; P296-G299 PolarHBondContact O-N 3.44Å; Y297-G299 VanDerWaalsContact C-N 3.28Å; Y297-G299 PolarHBondContact O-N 3.33Å; G299-F301 VanDerWaalsContact C-N 3.25Å; G299-F301 PolarHBondContact O-N 3Å; G299-Y302 PolarHBondContact O-N 3.3Å; G299-C303 PolarHBondContact O-N 3.48Å; G299-C303 PolarHBondContact O-SG 2.95Å; G299-C303 VanDerWaalsContact O-SG 3.42Å
300Y91.4Very high86.7Confident136 Ų13649.8 Ų49.853%0.53329%0.291SS..Hα-helixtrans-58.9-38.7173-74.3-69.5000112V295 P296 Y297 C303 L304V295-Y300 HydrophobicContact CB-CD2 4.44Å; V295-Y300 HydrophobicContact CB-CE2 3.88Å; V295-Y300 HydrophobicContact CG1-CD2 4.46Å; V295-Y300 HydrophobicContact CG1-CE2 4.37Å; V295-Y300 WeakPolarHBondContact O-CE2 3.5Å; P296-Y300 PolarHBondContact O-N 2.9Å; Y297-Y300 HydrophobicContact CD1-CD2 4.44Å; Y297-Y300 WeakPolarHBondContact O-CB 3.31Å; Y297-Y300 PolarHBondContact O-N 3.4Å; Y300-C303 PolarHBondContact O-N 3.03Å; Y300-L304 VanDerWaalsContact O-CB 3.28Å; Y300-L304 WeakPolarHBondContact O-CB 3.48Å; Y300-L304 PolarHBondContact O-N 2.84Å
301F92.7Very high87.7Confident13 Ų1348.8 Ų48.86%0.05728%0.276CS..Hα-helixtrans-63.9-43.6176.4-177.1-96000112.8C246 Y297 L298 G299 L304 N305 V566 A569 L573C246-F301 VanDerWaalsContact SG-CD1 3.57Å; C246-F301 WeakPolarHBondContact SG-CE1 3.38Å; Y297-F301 PolarHBondContact O-N 2.75Å; L298-F301 WeakPolarHBondContact O-CB 3.5Å; L298-F301 PolarHBondContact O-N 2.92Å; G299-F301 VanDerWaalsContact C-N 3.25Å; G299-F301 PolarHBondContact O-N 3Å; F301-L304 PolarHBondContact O-N 3.44Å; F301-N305 VanDerWaalsContact CD1-ND2 3.32Å; F301-N305 WeakPolarHBondContact CD1-ND2 3.38Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.48Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.44Å; F301-N305 PolarHBondContact O-N 3Å; F301-N305 PolarHBondContact O-ND2 3.45Å; F301-V566 HydrophobicContact CE2-CG1 4.11Å; F301-V566 HydrophobicContact CZ-CG1 3.89Å; F301-A569 HydrophobicContact CD2-CB 3.73Å; F301-A569 HydrophobicContact CE2-CB 3.95Å; F301-L573 HydrophobicContact CB-CD1 3.49Å; F301-L573 VanDerWaalsContact CB-CD1 3.49Å; F301-L573 HydrophobicContact CB-CG 4.48Å; F301-L573 HydrophobicContact CD1-CD1 4.04Å; F301-L573 HydrophobicContact CD2-CD1 3.5Å; F301-L573 HydrophobicContact CE2-CD1 4.17Å; F301-L573 HydrophobicContact CG-CD1 3.4Å
302Y93.9Very high88.8Confident0 Ų045.1 Ų45.10%025%0.246CC..Hα-helixtrans-60.8-46.9174.7-61.9-25.3000111.5L242 C246 F277 L280 L281 L284 L298 G299 L304 N305 M306L242-Y302 PolarHBondContact O-OH 3.43Å; C246-Y302 HydrophobicContact CB-CE1 3.79Å; F277-Y302 AromaticContact CD1-CD1 3.96Å; F277-Y302 HydrophobicContact CD1-CD1 3.96Å; F277-Y302 HydrophobicContact CE1-CD1 4.28Å; L280-Y302 HydrophobicContact CB-CD2 4.49Å; L280-Y302 HydrophobicContact CB-CE1 4.43Å; L280-Y302 HydrophobicContact CB-CE2 4.01Å; L280-Y302 HydrophobicContact CD1-CE1 4.39Å; L281-Y302 HydrophobicContact CB-CD2 4.08Å; L281-Y302 HydrophobicContact CD1-CD2 4.15Å; L284-Y302 HydrophobicContact CB-CE2 4.24Å; L284-Y302 HydrophobicContact CD2-CD2 4.01Å; L284-Y302 HydrophobicContact CD2-CE2 3.81Å; L298-Y302 HydrophobicContact CD1-CE1 4.08Å; L298-Y302 HydrophobicContact CD2-CE2 4.46Å; L298-Y302 HydrophobicContact CG-CE1 4.3Å; L298-Y302 HydrophobicContact CG-CE2 4.06Å; L298-Y302 PolarHBondContact O-N 3.31Å; L298-Y302 VanDerWaalsContact O-N 3.14Å; G299-Y302 PolarHBondContact O-N 3.3Å; Y302-L304 VanDerWaalsContact C-N 3.34Å; Y302-L304 PolarHBondContact O-N 3.08Å; Y302-N305 PolarHBondContact O-N 2.95Å; Y302-M306 WeakPolarHBondContact O-CE 3.48Å; Y302-M306 WeakPolarHBondContact O-CG 3.48Å; Y302-M306 PolarHBondContact O-N 3.49Å
303C93.4Very high89.7Confident55 Ų5545.3 Ų45.337%0.37225%0.246SC..Hα-helixtrans-60.7-41.4177.3-68.90000112.6G299 Y300 M306 T307G299-C303 PolarHBondContact O-N 3.48Å; G299-C303 PolarHBondContact O-SG 2.95Å; G299-C303 VanDerWaalsContact O-SG 3.42Å; Y300-C303 PolarHBondContact O-N 3.03Å; C303-M306 PolarHBondContact O-N 3.26Å; C303-T307 WeakPolarHBondContact O-CB 3.48Å; C303-T307 PolarHBondContact O-N 3.43Å; C303-T307 PolarHBondContact O-OG1 3.18Å
304L92.8Very high90.4Very high57 Ų5744.8 Ų44.830%0.29823%0.231SC..Hα-helixtrans-62.9-46.2176.1179.9148.9000111Y300 F301 Y302 M306 T307 L308 V565 V566Y300-L304 VanDerWaalsContact O-CB 3.28Å; Y300-L304 WeakPolarHBondContact O-CB 3.48Å; Y300-L304 PolarHBondContact O-N 2.84Å; F301-L304 PolarHBondContact O-N 3.44Å; Y302-L304 VanDerWaalsContact C-N 3.34Å; Y302-L304 PolarHBondContact O-N 3.08Å; L304-M306 PolarHBondContact O-N 2.96Å; L304-T307 PolarHBondContact O-N 2.9Å; L304-L308 HydrophobicContact CD2-CD1 3.54Å; L304-L308 HydrophobicContact CD2-CG 4.3Å; L304-L308 HydrophobicContact CG-CD1 4.3Å; L304-L308 WeakPolarHBondContact O-CG 3.41Å; L304-L308 PolarHBondContact O-N 2.94Å; L304-V565 HydrophobicContact CD1-CG1 3.87Å; L304-V565 HydrophobicContact CD2-CG1 3.78Å; L304-V565 HydrophobicContact CG-CG1 4.3Å; L304-V566 HydrophobicContact CD2-CG2 4.48Å
305N91.9Very high90.4Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-60.7-46.4177.2-84.2-86.7000111.6F277 F301 Y302 T307 L308 L309 Y562F277-N305 HydrophobicContact CD1-CB 4.5Å; F277-N305 HydrophobicContact CD2-CB 4.25Å; F277-N305 HydrophobicContact CE1-CB 4.24Å; F277-N305 HydrophobicContact CE2-CB 3.97Å; F277-N305 HydrophobicContact CZ-CB 3.97Å; F301-N305 VanDerWaalsContact CD1-ND2 3.32Å; F301-N305 WeakPolarHBondContact CD1-ND2 3.38Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.48Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.44Å; F301-N305 PolarHBondContact O-N 3Å; F301-N305 PolarHBondContact O-ND2 3.45Å; Y302-N305 PolarHBondContact O-N 2.95Å; N305-T307 VanDerWaalsContact C-N 3.33Å; N305-T307 PolarHBondContact O-N 3.35Å; N305-L308 PolarHBondContact O-N 3.42Å; N305-L309 WeakPolarHBondContact O-CB 3.31Å; N305-L309 VanDerWaalsContact O-CG 3.23Å; N305-L309 WeakPolarHBondContact O-CG 3.4Å; N305-L309 PolarHBondContact O-N 3.34Å; N305-Y562 PolarHBondContact OD1-OH 3.38Å
306M93.4Very high90.2Very high19 Ų1939.9 Ų39.99%0.09421%0.207CC..Hα-helixtrans-61.4-39.8177.3-73.5-174.1-74.900112.4F274 F277 S278 L281 Y302 C303 L304 S310F274-M306 HydrophobicContact CD2-CB 4.06Å; F274-M306 HydrophobicContact CD2-CG 4.1Å; F274-M306 HydrophobicContact CE2-CB 3.77Å; F274-M306 HydrophobicContact CE2-CG 4.08Å; F274-M306 HydrophobicContact CE2-SD 4.38Å; F274-M306 HydrophobicContact CZ-SD 4.43Å; F277-M306 HydrophobicContact CB-CG 3.68Å; F277-M306 HydrophobicContact CB-SD 4.05Å; F277-M306 HydrophobicContact CG-CG 4.49Å; S278-M306 PolarHBondContact OG-SD 3.19Å; L281-M306 HydrophobicContact CB-CE 4.39Å; L281-M306 HydrophobicContact CD2-CE 3.69Å; Y302-M306 WeakPolarHBondContact O-CE 3.48Å; Y302-M306 WeakPolarHBondContact O-CG 3.48Å; Y302-M306 PolarHBondContact O-N 3.49Å; C303-M306 PolarHBondContact O-N 3.26Å; L304-M306 PolarHBondContact O-N 2.96Å; M306-S310 WeakPolarHBondContact O-CB 3.42Å; M306-S310 PolarHBondContact O-N 3.48Å; M306-S310 PolarHBondContact O-OG 3.3Å
307T93Very high89.9Confident95 Ų9542.1 Ų42.158%0.58322%0.22SC*.Hα-helixtrans-65.5-46.5177.8-56.20000111C303 L304 N305 S310 L311C303-T307 WeakPolarHBondContact O-CB 3.48Å; C303-T307 PolarHBondContact O-N 3.43Å; C303-T307 PolarHBondContact O-OG1 3.18Å; L304-T307 PolarHBondContact O-N 2.9Å; N305-T307 VanDerWaalsContact C-N 3.33Å; N305-T307 PolarHBondContact O-N 3.35Å; T307-S310 PolarHBondContact O-N 2.81Å; T307-L311 PolarHBondContact O-N 2.95Å
308L91.3Very high89.6Confident23 Ų2341.5 Ų41.512%0.1222%0.222CC..Hα-helixtrans-65-40.9178.4-68.7177.3000112.2L304 N305 L311 S312 F561 Y562 V565 V566L304-L308 HydrophobicContact CD2-CD1 3.54Å; L304-L308 HydrophobicContact CD2-CG 4.3Å; L304-L308 HydrophobicContact CG-CD1 4.3Å; L304-L308 WeakPolarHBondContact O-CG 3.41Å; L304-L308 PolarHBondContact O-N 2.94Å; N305-L308 PolarHBondContact O-N 3.42Å; L308-L311 PolarHBondContact O-N 3.28Å; L308-S312 WeakPolarHBondContact O-CB 3.28Å; L308-S312 PolarHBondContact O-N 2.94Å; L308-F561 HydrophobicContact CD2-CD1 4.21Å; L308-F561 HydrophobicContact CD2-CE1 3.58Å; L308-Y562 HydrophobicContact CB-CD2 3.78Å; L308-Y562 HydrophobicContact CB-CE2 4.06Å; L308-Y562 HydrophobicContact CD1-CD2 3.69Å; L308-Y562 HydrophobicContact CD1-CE2 4.1Å; L308-Y562 HydrophobicContact CG-CD2 4.37Å; L308-V565 HydrophobicContact CD1-CB 4.35Å; L308-V565 HydrophobicContact CD1-CG1 4.11Å; L308-V566 HydrophobicContact CD1-CG2 4.43Å
309L91.8Very high88.8Confident4 Ų441.9 Ų41.92%0.02123%0.225CC..Hα-helixtrans-63.5-41.8174.5-72.1171000111.8T253 I273 F277 N305 S312 T313T253-L309 HydrophobicContact CG2-CD1 3.98Å; T253-L309 HydrophobicContact CG2-CD2 3.64Å; T253-L309 HydrophobicContact CG2-CG 4.28Å; I273-L309 HydrophobicContact CG2-CD1 3.8Å; F277-L309 HydrophobicContact CD2-CD1 3.86Å; F277-L309 HydrophobicContact CE2-CD1 3.95Å; N305-L309 WeakPolarHBondContact O-CB 3.31Å; N305-L309 VanDerWaalsContact O-CG 3.23Å; N305-L309 WeakPolarHBondContact O-CG 3.4Å; N305-L309 PolarHBondContact O-N 3.34Å; L309-S312 PolarHBondContact O-N 2.77Å; L309-T313 WeakPolarHBondContact O-CB 3.36Å; L309-T313 VanDerWaalsContact O-CG2 3.25Å; L309-T313 WeakPolarHBondContact O-CG2 3.31Å; L309-T313 PolarHBondContact O-N 3.34Å; L309-T313 PolarHBondContact O-OG1 3.25Å
310S91.6Very high88.2Confident50 Ų5043.3 Ų43.335%0.3523%0.233SC..Hα-helixtrans-63.4-42.6176-57.30000111.7F274 M306 T307 T313 F314F274-S310 WeakPolarHBondContact CE2-OG 3.45Å; M306-S310 WeakPolarHBondContact O-CB 3.42Å; M306-S310 PolarHBondContact O-N 3.48Å; M306-S310 PolarHBondContact O-OG 3.3Å; T307-S310 PolarHBondContact O-N 2.81Å; S310-T313 WeakPolarHBondContact CA-OG1 3.38Å; S310-T313 PolarHBondContact O-OG1 2.88Å; S310-F314 VanDerWaalsContact O-CB 3.24Å; S310-F314 WeakPolarHBondContact O-CB 3.36Å; S310-F314 PolarHBondContact O-N 3.2Å
311L89.5Confident87.8Confident87 Ų8741.9 Ų41.946%0.45523%0.231SC..Hα-helixtrans-65.8-41.9177.4-17562.1000111.9T307 L308 A315 F558T307-L311 PolarHBondContact O-N 2.95Å; L308-L311 PolarHBondContact O-N 3.28Å; L311-A315 WeakPolarHBondContact O-CB 3.4Å; L311-A315 PolarHBondContact O-N 2.99Å; L311-F558 HydrophobicContact CD2-CE1 4.24Å; L311-F558 HydrophobicContact CG-CE1 4.25Å
312S86.1Confident87Confident3 Ų344.4 Ų44.42%0.02125%0.245CC..Hα-helixtrans-64.8-43.1177.61720000112.6F257 L308 L309 A315 S316F257-S312 WeakPolarHBondContact CE1-OG 3.43Å; L308-S312 WeakPolarHBondContact O-CB 3.28Å; L308-S312 PolarHBondContact O-N 2.94Å; L309-S312 PolarHBondContact O-N 2.77Å; S312-A315 PolarHBondContact O-N 3.04Å; S312-S316 WeakPolarHBondContact O-CB 3.45Å; S312-S316 PolarHBondContact O-N 3.23Å; S312-S316 PolarHBondContact O-OG 3.4Å
313T85.6Confident85.9Confident40 Ų4046.7 Ų46.725%0.24526%0.256CS..Hα-helixtrans-67.3-44.4177.8490000111.2S270 L309 S310 A315 S316 T317S270-T313 WeakPolarHBondContact OG-CG2 3.41Å; L309-T313 WeakPolarHBondContact O-CB 3.36Å; L309-T313 VanDerWaalsContact O-CG2 3.25Å; L309-T313 WeakPolarHBondContact O-CG2 3.31Å; L309-T313 PolarHBondContact O-N 3.34Å; L309-T313 PolarHBondContact O-OG1 3.25Å; S310-T313 WeakPolarHBondContact CA-OG1 3.38Å; S310-T313 PolarHBondContact O-OG1 2.88Å; T313-A315 PolarHBondContact O-N 3.01Å; T313-S316 WeakPolarHBondContact O-CB 3.44Å; T313-S316 PolarHBondContact O-N 3.3Å; T313-S316 VanDerWaalsContact O-N 3.16Å; T313-T317 WeakPolarHBondContact O-CG2 3.35Å; T313-T317 PolarHBondContact O-N 3.24Å
314F87.7Confident84.9Confident132 Ų13251.2 Ų51.258%0.57927%0.269SS*.Hα-helixtrans-58.6-47.9174.4-174.2-109000111.8S310 S316 T317 I318S310-F314 VanDerWaalsContact O-CB 3.24Å; S310-F314 WeakPolarHBondContact O-CB 3.36Å; S310-F314 PolarHBondContact O-N 3.2Å; F314-S316 VanDerWaalsContact C-N 3.33Å; F314-S316 PolarHBondContact O-N 3.5Å; F314-T317 PolarHBondContact O-N 3.28Å; F314-T317 PolarHBondContact O-OG1 3.43Å; F314-I318 HydrophobicContact CD1-CD1 3.79Å; F314-I318 HydrophobicContact CE1-CD1 3.43Å; F314-I318 VanDerWaalsContact CE1-CD1 3.43Å; F314-I318 HydrophobicContact CE1-CG1 4.41Å; F314-I318 HydrophobicContact CZ-CD1 3.87Å; F314-I318 HydrophobicContact CZ-CG1 4.49Å; F314-I318 WeakPolarHBondContact O-CG1 3.4Å; F314-I318 PolarHBondContact O-N 3.16Å
315A83.2Confident83.8Confident20 Ų2054.2 Ų54.217%0.16528%0.282CS..Hα-helixtrans-57.4-45.6173.900000111.6L311 S312 T313 T317 I318 V319 F558L311-A315 WeakPolarHBondContact O-CB 3.4Å; L311-A315 PolarHBondContact O-N 2.99Å; S312-A315 PolarHBondContact O-N 3.04Å; T313-A315 PolarHBondContact O-N 3.01Å; A315-T317 VanDerWaalsContact C-N 3.35Å; A315-T317 PolarHBondContact O-N 3.4Å; A315-I318 PolarHBondContact O-N 3.5Å; A315-V319 WeakPolarHBondContact O-CG2 3.36Å; A315-V319 PolarHBondContact O-N 3.29Å; A315-V319 VanDerWaalsContact O-N 3.07Å; A315-F558 HydrophobicContact CB-CE2 3.95Å; A315-F558 HydrophobicContact CB-CZ 4.09Å
316S81Confident82.2Confident7 Ų756.7 Ų56.75%0.04929%0.291CS..Hα-helixtrans-58.8-43.6177-600000112K266 S312 T313 F314 I318 V319 V320K266-S316 PolarHBondContact NZ-OG 3.49Å; S312-S316 WeakPolarHBondContact O-CB 3.45Å; S312-S316 PolarHBondContact O-N 3.23Å; S312-S316 PolarHBondContact O-OG 3.4Å; T313-S316 WeakPolarHBondContact O-CB 3.44Å; T313-S316 PolarHBondContact O-N 3.3Å; T313-S316 VanDerWaalsContact O-N 3.16Å; F314-S316 VanDerWaalsContact C-N 3.33Å; F314-S316 PolarHBondContact O-N 3.5Å; S316-I318 PolarHBondContact O-N 2.89Å; S316-V319 PolarHBondContact O-N 2.94Å; S316-V320 WeakPolarHBondContact O-CB 3.47Å; S316-V320 VanDerWaalsContact O-CG2 3.27Å; S316-V320 WeakPolarHBondContact O-CG2 3.34Å; S316-V320 PolarHBondContact O-N 3.49Å
317T84.1Confident80.5Confident51 Ų5162.1 Ų62.131%0.31333%0.325SS..Hα-helixtrans-63.9-39.5177.660.30000113M267 T313 F314 A315 V320 H321M267-T317 HydrophobicContact CE-CG2 3.4Å; M267-T317 VanDerWaalsContact CE-CG2 3.4Å; M267-T317 HydrophobicContact SD-CG2 4.15Å; T313-T317 WeakPolarHBondContact O-CG2 3.35Å; T313-T317 PolarHBondContact O-N 3.24Å; F314-T317 PolarHBondContact O-N 3.28Å; F314-T317 PolarHBondContact O-OG1 3.43Å; A315-T317 VanDerWaalsContact C-N 3.35Å; A315-T317 PolarHBondContact O-N 3.4Å; T317-V320 PolarHBondContact O-N 2.99Å; T317-H321 VanDerWaalsContact O-CB 3.27Å; T317-H321 WeakPolarHBondContact O-CB 3.13Å; T317-H321 PolarHBondContact O-N 2.95Å
318I83.3Confident78.8Confident73 Ų7366.8 Ų66.837%0.37434%0.337SS..Hα-helixtrans-61-47.2175.4-70169.2000109.9F314 A315 S316 H321 L322F314-I318 HydrophobicContact CD1-CD1 3.79Å; F314-I318 HydrophobicContact CE1-CD1 3.43Å; F314-I318 VanDerWaalsContact CE1-CD1 3.43Å; F314-I318 HydrophobicContact CE1-CG1 4.41Å; F314-I318 HydrophobicContact CZ-CD1 3.87Å; F314-I318 HydrophobicContact CZ-CG1 4.49Å; F314-I318 WeakPolarHBondContact O-CG1 3.4Å; F314-I318 PolarHBondContact O-N 3.16Å; A315-I318 PolarHBondContact O-N 3.5Å; S316-I318 PolarHBondContact O-N 2.89Å; I318-H321 WeakPolarHBondContact O-CB 3.34Å; I318-H321 PolarHBondContact O-N 3.5Å; I318-L322 HydrophobicContact CG2-CD1 3.95Å; I318-L322 HydrophobicContact CG2-CG 4.38Å; I318-L322 WeakPolarHBondContact O-CB 3.31Å; I318-L322 VanDerWaalsContact O-CG 3.27Å; I318-L322 WeakPolarHBondContact O-CG 3.27Å; I318-L322 PolarHBondContact O-N 3.14Å
319V75.8Confident77.1Confident15 Ų1570.2 Ų70.29%0.09136%0.363CS..Hα-helixtrans-72.5-33.2-176.9-159.60000111.9A315 S316 L322 H323 L551 I554A315-V319 WeakPolarHBondContact O-CG2 3.36Å; A315-V319 PolarHBondContact O-N 3.29Å; A315-V319 VanDerWaalsContact O-N 3.07Å; S316-V319 PolarHBondContact O-N 2.94Å; V319-L322 PolarHBondContact O-N 3.35Å; V319-H323 WeakPolarHBondContact O-CB 3.42Å; V319-H323 PolarHBondContact O-N 2.88Å; V319-L551 HydrophobicContact CB-CD2 3.31Å; V319-L551 HydrophobicContact CB-CG 4.44Å; V319-L551 HydrophobicContact CG1-CD2 3.04Å; V319-L551 HydrophobicContact CG1-CG 3.66Å; V319-L551 HydrophobicContact CG2-CD2 4.21Å; V319-I554 HydrophobicContact CG2-CD1 4.18Å
320V78.7Confident75.6Confident30 Ų3078 Ų7818%0.18240%0.397CS..Hα-helixtrans-62.7-43170.2170.70000111.1P261 S316 T317 L322 H323 F324P261-V320 VanDerWaalsContact O-CG2 3.29Å; P261-V320 WeakPolarHBondContact O-CG2 3.37Å; S316-V320 WeakPolarHBondContact O-CB 3.47Å; S316-V320 VanDerWaalsContact O-CG2 3.27Å; S316-V320 WeakPolarHBondContact O-CG2 3.34Å; S316-V320 PolarHBondContact O-N 3.49Å; T317-V320 PolarHBondContact O-N 2.99Å; V320-L322 PolarHBondContact O-N 3.42Å; V320-H323 WeakPolarHBondContact O-CB 3.43Å; V320-H323 PolarHBondContact O-N 3.38Å; V320-H323 VanDerWaalsContact O-N 3.13Å; V320-F324 HydrophobicContact CG1-CD2 3.65Å; V320-F324 HydrophobicContact CG1-CE2 3.52Å; V320-F324 WeakPolarHBondContact O-CD2 3.2Å; V320-F324 PolarHBondContact O-N 3.4Å
321H82.5Confident74.4Confident106 Ų10681.9 Ų81.949%0.49141%0.409SS..Hα-helixtrans-61.4-44.2175.3-177.275.4000111.9T317 I318 H323 F324 Q325T317-H321 VanDerWaalsContact O-CB 3.27Å; T317-H321 WeakPolarHBondContact O-CB 3.13Å; T317-H321 PolarHBondContact O-N 2.95Å; I318-H321 WeakPolarHBondContact O-CB 3.34Å; I318-H321 PolarHBondContact O-N 3.5Å; H321-H323 PolarHBondContact O-N 2.77Å; H321-F324 PolarHBondContact O-N 3.41Å; H321-Q325 PolarHBondContact CE1-NE2 3.23Å; H321-Q325 VanDerWaalsContact NE2-CD 3.29Å; H321-Q325 PolarHBondContact NE2-NE2 3.43Å; H321-Q325 WeakPolarHBondContact O-CB 3.28Å; H321-Q325 WeakPolarHBondContact O-CG 3.43Å; H321-Q325 PolarHBondContact O-N 3.42Å
322L75.5Confident73.4Confident65 Ų6578 Ų7834%0.3439%0.389SS..Hα-helixtrans-65.8-25.1174.7-70.1174.5000113.4I318 V319 V320 R326I318-L322 HydrophobicContact CG2-CD1 3.95Å; I318-L322 HydrophobicContact CG2-CG 4.38Å; I318-L322 WeakPolarHBondContact O-CB 3.31Å; I318-L322 VanDerWaalsContact O-CG 3.27Å; I318-L322 WeakPolarHBondContact O-CG 3.27Å; I318-L322 PolarHBondContact O-N 3.14Å; V319-L322 PolarHBondContact O-N 3.35Å; V320-L322 PolarHBondContact O-N 3.42Å; L322-R326 WeakPolarHBondContact O-CB 3.47Å; L322-R326 WeakPolarHBondContact O-CG 3.48Å; L322-R326 PolarHBondContact O-NH1 3.04Å
323H71.7Confident72.7Confident49 Ų4979.5 Ų79.523%0.22740%0.399CS..Hα-helixtrans-74-48.3173-179.7-89000110.8V319 V320 H321 R326 D544V319-H323 WeakPolarHBondContact O-CB 3.42Å; V319-H323 PolarHBondContact O-N 2.88Å; V320-H323 WeakPolarHBondContact O-CB 3.43Å; V320-H323 PolarHBondContact O-N 3.38Å; V320-H323 VanDerWaalsContact O-N 3.13Å; H321-H323 PolarHBondContact O-N 2.77Å; H323-R326 WeakPolarHBondContact O-CB 3.3Å; H323-R326 PolarHBondContact O-N 3.31Å; H323-D544 IonicContact CD2-OD1 3.54Å; H323-D544 IonicContact CE1-OD1 3.81Å; H323-D544 IonicContact NE2-OD1 3.9Å; H323-D544 PolarHBondContact NE2-OD1 3.14Å
324F73.4Confident72.1Confident150 Ų15082.7 Ų82.766%0.65842%0.42SS*.Hα-helixtrans-69.1-39.2179.1-78.7-64.5000114.1V320 H321 R326V320-F324 HydrophobicContact CG1-CD2 3.65Å; V320-F324 HydrophobicContact CG1-CE2 3.52Å; V320-F324 WeakPolarHBondContact O-CD2 3.2Å; V320-F324 PolarHBondContact O-N 3.4Å; H321-F324 PolarHBondContact O-N 3.41Å; F324-R326 PolarHBondContact O-N 2.76Å
325Q69.3Low71.7Confident120 Ų12084.4 Ų84.456%0.56142%0.423SS*.G310 helixtrans-63-13.1176.5-75.4-166.6-15.500113.1H321H321-Q325 PolarHBondContact CE1-NE2 3.23Å; H321-Q325 VanDerWaalsContact NE2-CD 3.29Å; H321-Q325 PolarHBondContact NE2-NE2 3.43Å; H321-Q325 WeakPolarHBondContact O-CB 3.28Å; H321-Q325 WeakPolarHBondContact O-CG 3.43Å; H321-Q325 PolarHBondContact O-N 3.42Å
326R58Low71.2Confident51 Ų5184.6 Ų84.619%0.19242%0.421CS..G310 helixtrans-93.73.5-165.3-107-167.3175.593.70.8117.3L322 H323 F324 K328 K330 W547L322-R326 WeakPolarHBondContact O-CB 3.47Å; L322-R326 WeakPolarHBondContact O-CG 3.48Å; L322-R326 PolarHBondContact O-NH1 3.04Å; H323-R326 WeakPolarHBondContact O-CB 3.3Å; H323-R326 PolarHBondContact O-N 3.31Å; F324-R326 PolarHBondContact O-N 2.76Å; R326-K328 PolarHBondContact O-N 3.21Å; R326-K330 PolarHBondContact NE-O 3.04Å; R326-W547 VanDerWaalsContact CD-CE2 3.4Å; R326-W547 VanDerWaalsContact CD-NE1 3.26Å
327V57.3Low70.8Confident133 Ų13386.5 Ų86.581%0.80643%0.43SS*.G310 helixtrans-55.8-15.4167.1-179.30000111.5
328K56.8Low70.3Confident193 Ų19391.9 Ų91.984%0.83945%0.449SS*.G310 helixtrans-105.539.8-177-61.8-173178.9-178.90117.7R326R326-K328 PolarHBondContact O-N 3.21Å
329S55.5Low69.8Low95 Ų9591.4 Ų91.466%0.66445%0.449SS*.SBendtrans88.144.9149.5-1600000121.3
330K61.6Low69.6Low169 Ų16991 Ų9174%0.73545%0.447SS*.  trans-138.5133.7161.8-71.1-172.4-179.9178.70114.1R326R326-K330 PolarHBondContact NE-O 3.04Å
331H65.5Low69.2Low130 Ų13098 Ų9860%0.60247%0.47SS*.PPolyproline II helixtrans-54.9163.6171.9-78.983.4000112.1
332V68.1Low68.7Low5 Ų599.7 Ų99.73%0.0348%0.476CS..PPolyproline II helixtrans-56.3131.5173-171.20000109.2L336 I337 E546 W547 V550V332-L336 HydrophobicContact CG1-CB 4.05Å; V332-L336 HydrophobicContact CG1-CD2 3.9Å; V332-L336 HydrophobicContact CG1-CG 4.21Å; V332-I337 HydrophobicContact CB-CD1 3.88Å; V332-I337 HydrophobicContact CB-CG1 3.66Å; V332-I337 HydrophobicContact CG1-CD1 4.36Å; V332-I337 HydrophobicContact CG1-CG1 3.58Å; V332-E546 HydrophobicContact CG2-CB 3.84Å; V332-W547 HydrophobicContact CB-CZ2 3.95Å; V332-W547 HydrophobicContact CG1-CH2 4.03Å; V332-W547 HydrophobicContact CG1-CZ2 3.93Å; V332-W547 HydrophobicContact CG2-CD2 4.31Å; V332-W547 HydrophobicContact CG2-CH2 4.44Å; V332-W547 HydrophobicContact CG2-CZ2 3.64Å; V332-V550 HydrophobicContact CG1-CG2 3.99Å
333P72.3Confident68.5Low35 Ų3599.7 Ų99.723%0.22747%0.474CS..PPolyproline II helixtrans-54.1132.8178.2-24.434.4000109.4W335 L336 I337P333-W335 HydrophobicContact CB-CG 4.24Å; P333-W335 PolarHBondContact O-N 3.34Å; P333-W335 VanDerWaalsContact O-N 3.08Å; P333-L336 HydrophobicContact CB-CB 4.39Å; P333-L336 WeakPolarHBondContact O-CB 3.37Å; P333-L336 PolarHBondContact O-N 3.36Å; P333-I337 PolarHBondContact O-N 2.85Å
334P73.5Confident68.3Low107 Ų10798 Ų9870%0.69547%0.468SS*.Hα-helixtrans-55.9-32.4-175-27.833.9000113.6I337 K338P334-I337 PolarHBondContact O-N 3.17Å; P334-K338 PolarHBondContact O-N 2.89Å
335W79.5Confident67.8Low169 Ų16996.3 Ų96.364%0.6447%0.47SS*.Hα-helixtrans-63.6-39.5175.871-97.5000112.3P333 K338 V339P333-W335 HydrophobicContact CB-CG 4.24Å; P333-W335 PolarHBondContact O-N 3.34Å; P333-W335 VanDerWaalsContact O-N 3.08Å; W335-K338 WeakPolarHBondContact O-CB 3.46Å; W335-K338 PolarHBondContact O-N 3.12Å; W335-V339 HydrophobicContact CE3-CG2 4.33Å; W335-V339 WeakPolarHBondContact O-CG2 3.45Å; W335-V339 PolarHBondContact O-N 2.78Å
336L72.5Confident67.6Low23 Ų2396.5 Ų96.512%0.1247%0.474CS..Hα-helixtrans-71.8-38.2-179.2-171.365.5000110.8V332 P333 K338 V339 V340 W547 V550V332-L336 HydrophobicContact CG1-CB 4.05Å; V332-L336 HydrophobicContact CG1-CD2 3.9Å; V332-L336 HydrophobicContact CG1-CG 4.21Å; P333-L336 HydrophobicContact CB-CB 4.39Å; P333-L336 WeakPolarHBondContact O-CB 3.37Å; P333-L336 PolarHBondContact O-N 3.36Å; L336-K338 VanDerWaalsContact C-N 3.29Å; L336-K338 PolarHBondContact O-N 3.44Å; L336-V339 PolarHBondContact O-N 2.91Å; L336-V340 WeakPolarHBondContact O-CB 3.43Å; L336-V340 VanDerWaalsContact O-CG2 3.27Å; L336-V340 WeakPolarHBondContact O-CG2 3.06Å; L336-V340 PolarHBondContact O-N 3.35Å; L336-W547 HydrophobicContact CD2-CH2 3.83Å; L336-W547 HydrophobicContact CD2-CZ3 3.99Å; L336-V550 HydrophobicContact CD1-CG1 4.4Å; L336-V550 HydrophobicContact CD2-CG1 3.71Å; L336-V550 HydrophobicContact CG-CG1 4Å
337I71.3Confident67.9Low48 Ų4894.7 Ų94.725%0.24647%0.469CS..Hα-helixtrans-61.9-39.8171.7-56.8178.1000110.5V332 P333 P334 V340 R341V332-I337 HydrophobicContact CB-CD1 3.88Å; V332-I337 HydrophobicContact CB-CG1 3.66Å; V332-I337 HydrophobicContact CG1-CD1 4.36Å; V332-I337 HydrophobicContact CG1-CG1 3.58Å; P333-I337 PolarHBondContact O-N 2.85Å; P334-I337 PolarHBondContact O-N 3.17Å; I337-V340 PolarHBondContact O-N 3.09Å; I337-R341 HydrophobicContact CG2-CG 4.45Å; I337-R341 WeakPolarHBondContact O-CB 3.33Å; I337-R341 WeakPolarHBondContact O-CG 3.18Å; I337-R341 PolarHBondContact O-N 3.04Å
338K74Confident68.1Low164 Ų16496.5 Ų96.571%0.71347%0.468SS*.Hα-helixtrans-64.5-44.1178.1-164.7174.9-176.1177.40111.6P334 W335 L336 R341 F342P334-K338 PolarHBondContact O-N 2.89Å; W335-K338 WeakPolarHBondContact O-CB 3.46Å; W335-K338 PolarHBondContact O-N 3.12Å; L336-K338 VanDerWaalsContact C-N 3.29Å; L336-K338 PolarHBondContact O-N 3.44Å; K338-R341 PolarHBondContact O-N 3.3Å; K338-F342 WeakPolarHBondContact O-CB 3.36Å; K338-F342 PolarHBondContact O-N 3.31Å
339V72.6Confident68.2Low62 Ų6288.6 Ų88.638%0.37644%0.436SS..Hα-helixtrans-62.5-46.7174.4172.30000110.9W335 L336 R341 F342 F343W335-V339 HydrophobicContact CE3-CG2 4.33Å; W335-V339 WeakPolarHBondContact O-CG2 3.45Å; W335-V339 PolarHBondContact O-N 2.78Å; L336-V339 PolarHBondContact O-N 2.91Å; V339-R341 PolarHBondContact O-N 3.29Å; V339-F342 WeakPolarHBondContact O-CB 3.47Å; V339-F342 PolarHBondContact O-N 3.38Å; V339-F343 HydrophobicContact CG1-CD2 3.71Å; V339-F343 HydrophobicContact CG1-CE2 3.81Å; V339-F343 VanDerWaalsContact O-CD2 3.3Å; V339-F343 WeakPolarHBondContact O-CD2 3.42Å; V339-F343 PolarHBondContact O-N 3.08Å
340V72.4Confident68.3Low7 Ų789 Ų894%0.04244%0.439CS..Hα-helixtrans-63.1-42.5178166.70000111.3L336 I337 F342 F343 A344 L549 V550 T553L336-V340 WeakPolarHBondContact O-CB 3.43Å; L336-V340 VanDerWaalsContact O-CG2 3.27Å; L336-V340 WeakPolarHBondContact O-CG2 3.06Å; L336-V340 PolarHBondContact O-N 3.35Å; I337-V340 PolarHBondContact O-N 3.09Å; V340-F342 VanDerWaalsContact C-N 3.34Å; V340-F342 PolarHBondContact O-N 3.05Å; V340-F343 PolarHBondContact O-N 3.37Å; V340-A344 WeakPolarHBondContact O-CA 3.4Å; V340-A344 WeakPolarHBondContact O-CB 3.46Å; V340-A344 PolarHBondContact O-N 3.06Å; V340-L549 HydrophobicContact CG1-CD2 4.06Å; V340-V550 HydrophobicContact CG2-CB 4.15Å; V340-V550 HydrophobicContact CG2-CG1 4.04Å; V340-V550 HydrophobicContact CG2-CG2 3.97Å; V340-T553 HydrophobicContact CG1-CG2 4.17Å; V340-T553 HydrophobicContact CG2-CG2 4.45Å
341R70.8Confident67.7Low176 Ų17690.6 Ų90.666%0.66445%0.446SS*.Hα-helixtrans-62.8-40.4174.9-80-175-158.9153.26.1112.4I337 K338 V339 T345I337-R341 HydrophobicContact CG2-CG 4.45Å; I337-R341 WeakPolarHBondContact O-CB 3.33Å; I337-R341 WeakPolarHBondContact O-CG 3.18Å; I337-R341 PolarHBondContact O-N 3.04Å; K338-R341 PolarHBondContact O-N 3.3Å; V339-R341 PolarHBondContact O-N 3.29Å; R341-T345 WeakPolarHBondContact O-CB 3.02Å; R341-T345 PolarHBondContact O-N 3.41Å; R341-T345 VanDerWaalsContact O-N 3.09Å; R341-T345 PolarHBondContact O-OG1 2.87Å
342F71.7Confident67.1Low143 Ų14388.8 Ų88.863%0.62744%0.44SS*.Hα-helixtrans-59.5-50.5177.5-179.8-99.3000110.8K338 V339 V340 L346K338-F342 WeakPolarHBondContact O-CB 3.36Å; K338-F342 PolarHBondContact O-N 3.31Å; V339-F342 WeakPolarHBondContact O-CB 3.47Å; V339-F342 PolarHBondContact O-N 3.38Å; V340-F342 VanDerWaalsContact C-N 3.34Å; V340-F342 PolarHBondContact O-N 3.05Å; F342-L346 PolarHBondContact O-N 3.16Å
343F71.3Confident66.2Low64 Ų6496.8 Ų96.828%0.28148%0.477SS..Hα-helixtrans-77.5-31.7-179.8-73.8-64.3000114.3V339 V340 T345 L346 L347 T553 L557V339-F343 HydrophobicContact CG1-CD2 3.71Å; V339-F343 HydrophobicContact CG1-CE2 3.81Å; V339-F343 VanDerWaalsContact O-CD2 3.3Å; V339-F343 WeakPolarHBondContact O-CD2 3.42Å; V339-F343 PolarHBondContact O-N 3.08Å; V340-F343 PolarHBondContact O-N 3.37Å; F343-T345 VanDerWaalsContact C-N 3.29Å; F343-T345 PolarHBondContact O-N 2.76Å; F343-L346 HydrophobicContact CD1-CD2 4.44Å; F343-L346 WeakPolarHBondContact O-CB 3.38Å; F343-L346 PolarHBondContact O-N 3.46Å; F343-L346 VanDerWaalsContact O-N 3.16Å; F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 3.15Å; F343-L347 VanDerWaalsContact O-CG 3.28Å; F343-L347 WeakPolarHBondContact O-CG 3.18Å; F343-L347 PolarHBondContact O-N 3.11Å; F343-T553 HydrophobicContact CB-CG2 3.96Å; F343-L557 HydrophobicContact CB-CD1 3.7Å; F343-L557 HydrophobicContact CB-CD2 3.87Å; F343-L557 HydrophobicContact CB-CG 4.12Å; F343-L557 HydrophobicContact CD1-CD1 3.91Å; F343-L557 HydrophobicContact CD1-CD2 3.2Å; F343-L557 HydrophobicContact CD1-CG 4.15Å; F343-L557 HydrophobicContact CD2-CD1 3.54Å; F343-L557 HydrophobicContact CD2-CD2 4.42Å; F343-L557 HydrophobicContact CE1-CD1 4.37Å; F343-L557 HydrophobicContact CE1-CD2 3.72Å; F343-L557 HydrophobicContact CE2-CD1 4.06Å; F343-L557 HydrophobicContact CG-CD1 3.45Å; F343-L557 VanDerWaalsContact CG-CD1 3.45Å; F343-L557 HydrophobicContact CG-CD2 3.6Å; F343-L557 HydrophobicContact CG-CG 4.06Å; F343-L557 HydrophobicContact CZ-CD1 4.44Å
344A66.2Low65Low13 Ų13100.2 Ų100.211%0.10750%0.499CS..Hα-helixtrans-65.2-35.117600000111.6V340 L346 L347 H348 V349V340-A344 WeakPolarHBondContact O-CA 3.4Å; V340-A344 WeakPolarHBondContact O-CB 3.46Å; V340-A344 PolarHBondContact O-N 3.06Å; A344-L346 VanDerWaalsContact C-N 3.34Å; A344-L347 PolarHBondContact O-N 2.83Å; A344-H348 PolarHBondContact O-N 2.87Å; A344-V349 HydrophobicContact CB-CB 4.19Å; A344-V349 PolarHBondContact O-N 2.82Å; A344-V349 VanDerWaalsContact O-N 3.15Å
345T64.3Low63.7Low115 Ų11598.1 Ų98.171%0.70649%0.485SS*.Hα-helixtrans-65.5-39.7173-51.80000110.8R341 F343R341-T345 WeakPolarHBondContact O-CB 3.02Å; R341-T345 PolarHBondContact O-N 3.41Å; R341-T345 VanDerWaalsContact O-N 3.09Å; R341-T345 PolarHBondContact O-OG1 2.87Å; F343-T345 VanDerWaalsContact C-N 3.29Å; F343-T345 PolarHBondContact O-N 2.76Å
346L64.9Low62.3Low124 Ų12495.9 Ų95.965%0.64949%0.49SS*.Hα-helixtrans-70.9-33.5176.7-170.265.5000112.8F342 F343 A344F342-L346 PolarHBondContact O-N 3.16Å; F343-L346 HydrophobicContact CD1-CD2 4.44Å; F343-L346 WeakPolarHBondContact O-CB 3.38Å; F343-L346 PolarHBondContact O-N 3.46Å; F343-L346 VanDerWaalsContact O-N 3.16Å; A344-L346 VanDerWaalsContact C-N 3.34Å
347L62.8Low61.3Low13 Ų1397.5 Ų97.57%0.06850%0.501CS..THydrogen-bonded Turntrans-97.18.2-172.2-69.8173.1000114.6F343 A344 V349 R556 L557 W560F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 3.15Å; F343-L347 VanDerWaalsContact O-CG 3.28Å; F343-L347 WeakPolarHBondContact O-CG 3.18Å; F343-L347 PolarHBondContact O-N 3.11Å; A344-L347 PolarHBondContact O-N 2.83Å; L347-V349 HydrophobicContact CB-CG2 4.22Å; L347-V349 PolarHBondContact O-N 3.04Å; L347-R556 HydrophobicContact CD1-CB 4.1Å; L347-R556 HydrophobicContact CD1-CG 4.08Å; L347-R556 HydrophobicContact CD2-CG 4.29Å; L347-R556 PolarHBondContact O-NH1 3.31Å; L347-R556 PolarHBondContact O-NH2 3.47Å; L347-R556 VanDerWaalsContact O-NH2 3.15Å; L347-L557 HydrophobicContact CD1-CD2 3.53Å; L347-L557 HydrophobicContact CD1-CG 3.65Å; L347-L557 HydrophobicContact CG-CD2 4.3Å; L347-W560 HydrophobicContact CD2-CG 4.04Å
348H62Low60.3Low171 Ų17198.8 Ų98.879%0.79252%0.518SS*.THydrogen-bonded Turntrans47.942.8-175.3-71.298.4000112.8A344A344-H348 PolarHBondContact O-N 2.87Å
349V59.6Low59.3Low28 Ų2894.3 Ų94.317%0.1750%0.503CS..  trans-85.8117.3168.4178.70000106.4A344 L347 K351 L549 R556A344-V349 HydrophobicContact CB-CB 4.19Å; A344-V349 PolarHBondContact O-N 2.82Å; A344-V349 VanDerWaalsContact O-N 3.15Å; L347-V349 HydrophobicContact CB-CG2 4.22Å; L347-V349 PolarHBondContact O-N 3.04Å; V349-K351 PolarHBondContact O-N 3.46Å; V349-L549 HydrophobicContact CG1-CD1 3.81Å; V349-R556 VanDerWaalsContact CG2-NH1 3.29Å
350S56.9Low58.4Low103 Ų10394 Ų9472%0.7251%0.506SS*.  trans-45.1131-175.549.60000112.3L352S350-L352 PolarHBondContact O-N 2.83Å
351K49.9Very low57.7Low203 Ų20398.3 Ų98.388%0.88353%0.529SS*.  trans-47.6135.9175.5-85175.4175172.90110.4V349 E353V349-K351 PolarHBondContact O-N 3.46Å; K351-E353 PolarHBondContact O-N 3.38Å; K351-E353 VanDerWaalsContact O-N 3.09Å
352L51.6Low57.4Low91 Ų9196.3 Ų96.348%0.47653%0.527SS..  trans-59.2112.9163.1-137.884.5000107.2S350 E546 L549S350-L352 PolarHBondContact O-N 2.83Å; L352-E546 HydrophobicContact CD2-CG 4.47Å; L352-L549 HydrophobicContact CD1-CD1 4.37Å; L352-L549 HydrophobicContact CD1-CD2 3.99Å
353E50.4Low56.9Low174 Ų17495.3 Ų95.381%0.81352%0.523SS*.PPolyproline II helixtrans-60.3131.2167.8-123.4164.4-177.600108K351K351-E353 PolarHBondContact O-N 3.38Å; K351-E353 VanDerWaalsContact O-N 3.09Å
354P46.7Very low56.5Low107 Ų10794.9 Ų94.970%0.69552%0.523SS*.PPolyproline II helixtrans-59.7142.9179.324.8-32.2000109.5V356P354-V356 PolarHBondContact O-N 2.81Å
355P46.2Very low56.6Low62 Ų6297.4 Ų97.440%0.40354%0.54SS..PPolyproline II helixtrans-60.6129.5-176.424.3-32.3000110.5V357P355-V357 HydrophobicContact CB-CB 4.2Å; P355-V357 HydrophobicContact CB-CG2 3.98Å; P355-V357 PolarHBondContact O-N 3.33Å
356V50Low56.9Low122 Ų12294.2 Ų94.274%0.73953%0.525SS*.THydrogen-bonded Turntrans-54.5-9.3170.7179.50000112.6P354 A358 D359P354-V356 PolarHBondContact O-N 2.81Å; V356-A358 VanDerWaalsContact C-N 3.29Å; V356-A358 PolarHBondContact O-N 2.78Å; V356-D359 PolarHBondContact O-N 2.86Å
357V51.8Low57.1Low58 Ų5891.6 Ų91.635%0.35251%0.514SS..Hα-helixtrans-64.8-24.2-176.9-174.80000113.7P355 D359 A360 N361P355-V357 HydrophobicContact CB-CB 4.2Å; P355-V357 HydrophobicContact CB-CG2 3.98Å; P355-V357 PolarHBondContact O-N 3.33Å; V357-D359 VanDerWaalsContact C-N 3.28Å; V357-D359 PolarHBondContact O-N 3.23Å; V357-A360 PolarHBondContact O-N 2.72Å; V357-N361 PolarHBondContact O-N 3.04Å; V357-N361 VanDerWaalsContact O-N 3.09Å
358A50.1Low57.4Low74 Ų7495.2 Ų95.261%0.61253%0.531SS*.Hα-helixtrans-61.3-38.7173.800000111.9V356 Q362V356-A358 VanDerWaalsContact C-N 3.29Å; V356-A358 PolarHBondContact O-N 2.78Å; A358-Q362 VanDerWaalsContact O-CB 3.32Å; A358-Q362 WeakPolarHBondContact O-CB 3.48Å; A358-Q362 PolarHBondContact O-N 3.02Å; A358-Q362 VanDerWaalsContact O-N 3.17Å
359D52.4Low57.9Low71 Ų7189.3 Ų89.338%0.3851%0.511SS..Hα-helixtrans-72.8-35.4178.3-175.338.1000111.6V356 V357 Q362 K363V356-D359 PolarHBondContact O-N 2.86Å; V357-D359 VanDerWaalsContact C-N 3.28Å; V357-D359 PolarHBondContact O-N 3.23Å; D359-Q362 PolarHBondContact O-N 3.46Å; D359-K363 VanDerWaalsContact O-CB 3.3Å; D359-K363 WeakPolarHBondContact O-CB 3.21Å; D359-K363 WeakPolarHBondContact O-CG 3.24Å; D359-K363 PolarHBondContact O-N 2.74Å; D359-K363 VanDerWaalsContact OD1-CE 3.26Å; D359-K363 WeakPolarHBondContact OD1-CE 3.44Å; D359-K363 IonicContact OD1-NZ 3.59Å; D359-K363 VanDerWaalsContact OD2-CE 3.28Å; D359-K363 WeakPolarHBondContact OD2-CE 3.35Å; D359-K363 IonicContact OD2-NZ 2.67Å; D359-K363 PolarHBondContact OD2-NZ 3.17Å
360A54.4Low58.5Low54 Ų5494.4 Ų94.445%0.44653%0.534SS..Hα-helixtrans-67.7-42.9177.400000112.9V357 Q362 K363 L364V357-A360 PolarHBondContact O-N 2.72Å; A360-Q362 VanDerWaalsContact C-N 3.35Å; A360-K363 PolarHBondContact O-N 3.27Å; A360-L364 WeakPolarHBondContact O-CB 3.33Å; A360-L364 PolarHBondContact O-N 2.93Å
361N58.3Low59.1Low99 Ų9993.6 Ų93.653%0.52952%0.52SS..Hα-helixtrans-70.1-32.6176.8-74.5-22.6000112.2V357 L364 S365V357-N361 PolarHBondContact O-N 3.04Å; V357-N361 VanDerWaalsContact O-N 3.09Å; N361-L364 PolarHBondContact O-N 3Å; N361-S365 PolarHBondContact O-N 2.83Å; N361-S365 PolarHBondContact O-OG 2.84Å
362Q63.5Low60.2Low133 Ų13391.1 Ų91.162%0.62151%0.509SS*.Hα-helixtrans-71.1-39.8174.2-171170.80.100111.9A358 D359 A360 L364 S365 A366A358-Q362 VanDerWaalsContact O-CB 3.32Å; A358-Q362 WeakPolarHBondContact O-CB 3.48Å; A358-Q362 PolarHBondContact O-N 3.02Å; A358-Q362 VanDerWaalsContact O-N 3.17Å; D359-Q362 PolarHBondContact O-N 3.46Å; A360-Q362 VanDerWaalsContact C-N 3.35Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; Q362-S365 PolarHBondContact O-OG 3.04Å; Q362-A366 WeakPolarHBondContact O-CB 3.26Å; Q362-A366 PolarHBondContact O-N 3.11Å
363K62.3Low61.2Low123 Ų12391.5 Ų91.554%0.53551%0.512SS..Hα-helixtrans-63.8-38.3171.7-76.7169.6175167.40111.7D359 A360 A366 V367D359-K363 VanDerWaalsContact O-CB 3.3Å; D359-K363 WeakPolarHBondContact O-CB 3.21Å; D359-K363 WeakPolarHBondContact O-CG 3.24Å; D359-K363 PolarHBondContact O-N 2.74Å; D359-K363 VanDerWaalsContact OD1-CE 3.26Å; D359-K363 WeakPolarHBondContact OD1-CE 3.44Å; D359-K363 IonicContact OD1-NZ 3.59Å; D359-K363 VanDerWaalsContact OD2-CE 3.28Å; D359-K363 WeakPolarHBondContact OD2-CE 3.35Å; D359-K363 IonicContact OD2-NZ 2.67Å; D359-K363 PolarHBondContact OD2-NZ 3.17Å; A360-K363 PolarHBondContact O-N 3.27Å; K363-A366 PolarHBondContact O-N 3.43Å; K363-V367 VanDerWaalsContact O-CG2 3.31Å; K363-V367 WeakPolarHBondContact O-CG2 3.41Å; K363-V367 PolarHBondContact O-N 2.89Å
364L62.3Low62Low55 Ų5585.9 Ų85.929%0.28850%0.495SS..Hα-helixtrans-67.4-45.2177-17566.8000112.6A360 N361 Q362 A366 V367 E368 M531A360-L364 WeakPolarHBondContact O-CB 3.33Å; A360-L364 PolarHBondContact O-N 2.93Å; N361-L364 PolarHBondContact O-N 3Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; L364-A366 VanDerWaalsContact C-N 3.27Å; L364-A366 PolarHBondContact O-N 2.82Å; L364-V367 PolarHBondContact O-N 2.82Å; L364-V367 VanDerWaalsContact O-N 3.14Å; L364-E368 PolarHBondContact O-N 3.24Å; L364-M531 HydrophobicContact CB-CE 4.32Å; L364-M531 HydrophobicContact CD1-CE 3.33Å; L364-M531 HydrophobicContact CD2-CE 3.14Å; L364-M531 HydrophobicContact CG-CE 3.71Å
365S67.8Low62.7Low65 Ų6586.7 Ų86.746%0.45549%0.488SS..Hα-helixtrans-65.3-33.3177.865.50000111.9N361 Q362 E368 A369N361-S365 PolarHBondContact O-N 2.83Å; N361-S365 PolarHBondContact O-OG 2.84Å; Q362-S365 PolarHBondContact O-OG 3.04Å; S365-E368 PolarHBondContact O-N 3.15Å; S365-A369 WeakPolarHBondContact O-CB 3.43Å; S365-A369 PolarHBondContact O-N 3Å
366A71.9Confident63.4Low49 Ų4990.1 Ų90.141%0.40550%0.5SS..Hα-helixtrans-63.1-43170.700000112.1Q362 K363 L364 A369 Q370Q362-A366 WeakPolarHBondContact O-CB 3.26Å; Q362-A366 PolarHBondContact O-N 3.11Å; K363-A366 PolarHBondContact O-N 3.43Å; L364-A366 VanDerWaalsContact C-N 3.27Å; L364-A366 PolarHBondContact O-N 2.82Å; A366-A369 PolarHBondContact O-N 3.38Å; A366-Q370 WeakPolarHBondContact O-CG 3.22Å; A366-Q370 PolarHBondContact O-N 2.86Å
367V69Low63.7Low69 Ų6992 Ų9242%0.41850%0.498SS..Hα-helixtrans-66.8-42176.1172.20000111.5K363 L364 A369 Q370 I371K363-V367 VanDerWaalsContact O-CG2 3.31Å; K363-V367 WeakPolarHBondContact O-CG2 3.41Å; K363-V367 PolarHBondContact O-N 2.89Å; L364-V367 PolarHBondContact O-N 2.82Å; L364-V367 VanDerWaalsContact O-N 3.14Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 2.8Å; V367-Q370 PolarHBondContact O-N 2.92Å; V367-I371 HydrophobicContact CG1-CD1 3.91Å; V367-I371 WeakPolarHBondContact O-CG1 3.33Å; V367-I371 PolarHBondContact O-N 2.91Å
368E68.2Low63.7Low88 Ų8896.1 Ų96.141%0.41151%0.513SS..Hα-helixtrans-63.1-39175.4-74.3-167.2154.100112.3L364 S365 I371 K372L364-E368 PolarHBondContact O-N 3.24Å; S365-E368 PolarHBondContact O-N 3.15Å; E368-I371 PolarHBondContact O-N 3.01Å; E368-K372 PolarHBondContact O-N 2.83Å
369A72.5Confident63.5Low47 Ų4795.2 Ų95.239%0.38850%0.503SS..Hα-helixtrans-64.6-41174.300000111.7S365 A366 V367 K372 N373S365-A369 WeakPolarHBondContact O-CB 3.43Å; S365-A369 PolarHBondContact O-N 3Å; A366-A369 PolarHBondContact O-N 3.38Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 2.8Å; A369-K372 PolarHBondContact O-N 2.91Å; A369-N373 WeakPolarHBondContact O-CB 3.38Å; A369-N373 VanDerWaalsContact O-CG 3.32Å; A369-N373 PolarHBondContact O-N 2.88Å
370Q72.8Confident63.4Low136 Ų13695.5 Ų95.564%0.63651%0.507SS*.Hα-helixtrans-62.5-41.8174.8-75.7178.7-11.300112.2A366 V367 N373 A374A366-Q370 WeakPolarHBondContact O-CG 3.22Å; A366-Q370 PolarHBondContact O-N 2.86Å; V367-Q370 PolarHBondContact O-N 2.92Å; Q370-N373 PolarHBondContact O-N 3.09Å; Q370-A374 WeakPolarHBondContact O-CB 3.42Å; Q370-A374 PolarHBondContact O-N 2.71Å
371I68.5Low62.9Low86 Ų8699.9 Ų99.944%0.44152%0.516SS..Hα-helixtrans-66.7-40.2177.7-67166.5000111.3V367 E368 A374 K375V367-I371 HydrophobicContact CG1-CD1 3.91Å; V367-I371 WeakPolarHBondContact O-CG1 3.33Å; V367-I371 PolarHBondContact O-N 2.91Å; E368-I371 PolarHBondContact O-N 3.01Å; I371-A374 PolarHBondContact O-N 2.91Å; I371-K375 PolarHBondContact O-N 2.99Å; I371-K375 VanDerWaalsContact O-N 3.07Å
372K73.2Confident62.2Low150 Ų15098.4 Ų98.465%0.65251%0.513SS*.Hα-helixtrans-63.4-43.4174.5-78.6-178.7178.2177.80112E368 A369 A374 K375 M376E368-K372 PolarHBondContact O-N 2.83Å; A369-K372 PolarHBondContact O-N 2.91Å; K372-A374 VanDerWaalsContact C-N 3.32Å; K372-A374 PolarHBondContact O-N 3.05Å; K372-K375 PolarHBondContact O-N 3.12Å; K372-M376 PolarHBondContact O-N 2.94Å
373N73.7Confident61.2Low100 Ų10098.6 Ų98.654%0.53551%0.514SS..Hα-helixtrans-65.1-35.3177-74-13.6000112.3A369 Q370 K377A369-N373 WeakPolarHBondContact O-CB 3.38Å; A369-N373 VanDerWaalsContact O-CG 3.32Å; A369-N373 PolarHBondContact O-N 2.88Å; Q370-N373 PolarHBondContact O-N 3.09Å; N373-K377 WeakPolarHBondContact O-CG 3.34Å; N373-K377 PolarHBondContact O-N 3.42Å; N373-K377 VanDerWaalsContact O-N 3.09Å
374A66.5Low60.5Low55 Ų5597.7 Ų97.746%0.45552%0.515SS..Hα-helixtrans-65.6-40.3173.600000112.1Q370 I371 K372 K377 Q378Q370-A374 WeakPolarHBondContact O-CB 3.42Å; Q370-A374 PolarHBondContact O-N 2.71Å; I371-A374 PolarHBondContact O-N 2.91Å; K372-A374 VanDerWaalsContact C-N 3.32Å; K372-A374 PolarHBondContact O-N 3.05Å; A374-K377 PolarHBondContact O-N 2.88Å; A374-Q378 PolarHBondContact O-N 3.35Å
375K60.8Low59.4Low125 Ų12598.7 Ų98.754%0.54352%0.521SS..Hα-helixtrans-63.5-41.9175.1-77.8-173.2174.7-171.70112.9I371 K372 Q378 S379I371-K375 PolarHBondContact O-N 2.99Å; I371-K375 VanDerWaalsContact O-N 3.07Å; K372-K375 PolarHBondContact O-N 3.12Å; K375-Q378 PolarHBondContact O-N 2.03Å; K375-S379 PolarHBondContact O-N 2.97Å
376M61.8Low58.2Low133 Ų133102.8 Ų102.866%0.65554%0.537SS*.Hα-helixtrans-65.2-41.7177.1-124.3179.9-166.300111.6K372 Q378 S379 V380K372-M376 PolarHBondContact O-N 2.94Å; M376-Q378 PolarHBondContact O-N 3.3Å; M376-S379 PolarHBondContact O-N 2.82Å; M376-V380 WeakPolarHBondContact O-CB 3.24Å; M376-V380 VanDerWaalsContact O-CG2 3.3Å; M376-V380 WeakPolarHBondContact O-CG2 3.41Å; M376-V380 PolarHBondContact O-N 2.56Å
377K56.8Low56.8Low161 Ų161107.1 Ų107.170%0.755%0.553SS**Hα-helixtrans-64.6-28.3174.2-76.2-177.2177.7-177.30112.7N373 A374 K381N373-K377 WeakPolarHBondContact O-CG 3.34Å; N373-K377 PolarHBondContact O-N 3.42Å; N373-K377 VanDerWaalsContact O-N 3.09Å; A374-K377 PolarHBondContact O-N 2.88Å; K377-K381 WeakPolarHBondContact O-CB 3.49Å; K377-K381 PolarHBondContact O-N 3.11Å
378Q51.1Low55.6Low145 Ų145108.7 Ų108.768%0.67856%0.563SS**Hα-helixtrans-77-37.7176.1-121.2167.5-8.500112.5A374 K375 M376 S382A374-Q378 PolarHBondContact O-N 3.35Å; K375-Q378 PolarHBondContact O-N 2.03Å; M376-Q378 PolarHBondContact O-N 3.3Å; Q378-S382 PolarHBondContact O-N 2.84Å; Q378-S382 VanDerWaalsContact O-N 3.11Å; Q378-S382 PolarHBondContact O-OG 2.79Å
379S46.3Very low54.2Low56 Ų56114.9 Ų114.939%0.39258%0.582SS.*Hα-helixtrans-74.5-37.517789.80000112.9K375 M376 K381 S382 E383K375-S379 PolarHBondContact O-N 2.97Å; M376-S379 PolarHBondContact O-N 2.82Å; S379-K381 VanDerWaalsContact C-N 3.28Å; S379-K381 PolarHBondContact O-N 3.3Å; S379-S382 WeakPolarHBondContact CA-OG 3.49Å; S379-S382 PolarHBondContact O-N 3.17Å; S379-S382 PolarHBondContact O-OG 3.05Å; S379-E383 PolarHBondContact O-N 3.49Å; S379-E383 VanDerWaalsContact O-N 3.1Å
380V50.2Low52.5Low76 Ų76117.5 Ų117.546%0.46160%0.598SS.*Hα-helixtrans-68.8-29.5175174.90000111.5M376 N384M376-V380 WeakPolarHBondContact O-CB 3.24Å; M376-V380 VanDerWaalsContact O-CG2 3.3Å; M376-V380 WeakPolarHBondContact O-CG2 3.41Å; M376-V380 PolarHBondContact O-N 2.56Å; V380-N384 PolarHBondContact O-N 2.9Å; V380-N384 PolarHBondContact O-ND2 3.38Å
381K42.8Very low51.1Low147 Ų147115.6 Ų115.664%0.63960%0.6SS**Hα-helixtrans-77.5-28.5175-160.7171.3-173.41790112.2K377 S379 L385K377-K381 WeakPolarHBondContact O-CB 3.49Å; K377-K381 PolarHBondContact O-N 3.11Å; S379-K381 VanDerWaalsContact C-N 3.28Å; S379-K381 PolarHBondContact O-N 3.3Å; K381-L385 HydrophobicContact CG-CD1 3.94Å; K381-L385 VanDerWaalsContact O-CB 3.22Å; K381-L385 WeakPolarHBondContact O-CB 3.33Å; K381-L385 WeakPolarHBondContact O-CD1 3.42Å; K381-L385 WeakPolarHBondContact O-CG 3.28Å; K381-L385 PolarHBondContact O-N 3Å
382S44.5Very low49.5Very low68 Ų68118.7 Ų118.748%0.47662%0.617SS.*Hα-helixtrans-78.2-26.9174.2560000113.9Q378 S379Q378-S382 PolarHBondContact O-N 2.84Å; Q378-S382 VanDerWaalsContact O-N 3.11Å; Q378-S382 PolarHBondContact O-OG 2.79Å; S379-S382 WeakPolarHBondContact CA-OG 3.49Å; S379-S382 PolarHBondContact O-N 3.17Å; S379-S382 PolarHBondContact O-OG 3.05Å
383E43.6Very low47.5Very low136 Ų136119.4 Ų119.464%0.63662%0.623SS**Hα-helixtrans-77.9-36.6174.5-75.1175.1149.500112S379S379-E383 PolarHBondContact O-N 3.49Å; S379-E383 VanDerWaalsContact O-N 3.1Å
384N46.5Very low45.7Very low105 Ų105123.6 Ų123.656%0.56164%0.639SS**Hα-helixtrans-79.2-16.7175.6-69.9-23.3000114.1V380 T388V380-N384 PolarHBondContact O-N 2.9Å; V380-N384 PolarHBondContact O-ND2 3.38Å; N384-T388 PolarHBondContact O-OG1 3.08Å
385L40Very low44Very low76 Ų76128.8 Ų128.840%0.39866%0.659SS.*THydrogen-bonded Turntrans-84-15177.2-82.7168.1000113.5K381K381-L385 HydrophobicContact CG-CD1 3.94Å; K381-L385 VanDerWaalsContact O-CB 3.22Å; K381-L385 WeakPolarHBondContact O-CB 3.33Å; K381-L385 WeakPolarHBondContact O-CD1 3.42Å; K381-L385 WeakPolarHBondContact O-CG 3.28Å; K381-L385 PolarHBondContact O-N 3Å
386L41.5Very low43Very low151 Ų151128 Ų12879%0.79167%0.666SS**THydrogen-bonded Turntrans-79-23.9176-127.688.7000113
387D43.1Very low42Very low140 Ų140126.4 Ų126.475%0.74967%0.666SS**SBendtrans-95.1-7.3-179.3-72.1-22.1000114.1
388T43.9Very low40.9Very low102 Ų102123.7 Ų123.763%0.62667%0.667SS**SBendtrans-118.84.7-172.8-34.50000113.8N384N384-T388 PolarHBondContact O-OG1 3.08Å
389W37.7Very low39.9Very low217 Ų217124.2 Ų124.282%0.82268%0.675SS**THydrogen-bonded Turntrans-98.625.8-175-93.254.9000115
390S38.3Very low39.5Very low102 Ų102126.5 Ų126.571%0.71369%0.688SS**THydrogen-bonded Turntrans-104.89.9174.8590000114.7
391S42.2Very low38.5Very low96 Ų96131.5 Ų131.567%0.67171%0.706SS**SBendtrans-153.7115.6179.9-66.20000114.2
392N34.8Very low37.9Very low152 Ų152128.7 Ų128.781%0.81371%0.705SS**  trans64.3106.3149.7-66.7-18.7000121.8
393Q32.1Very low37.3Very low165 Ų165132.2 Ų132.277%0.77172%0.719SS**  17.8122.3118.3-68.4-177.4-2.100119.5
394Q35.2Very low36.6Very low187 Ų187132.3 Ų132.387%0.87472%0.723SS**  147.8125.1122.2-90.5155.3-30.200113.9
395L31.9Very low35.7Very low165 Ų165133.8 Ų133.886%0.86473%0.729SS**  trans-87-179.1169.6-82.5141.5000110.1
396P39.9Very low35.3Very low108 Ų108138.4 Ų138.470%0.70175%0.748SS**  -132.1-136.6-54.141.2-21.7000107.6
397P40.5Very low34.5Very low99 Ų99135.5 Ų135.564%0.64374%0.741SS**  cis-134178.4-3337.6-19.9000115.3
398S32.1Very low33.9Very low104 Ų104135.2 Ų135.273%0.72774%0.744SS**  trans66.7149.1146.573.20000118.7
399N30.8Very low33Very low157 Ų157133.7 Ų133.784%0.8475%0.748SS**  cis-160.6173.111.6-136.315.7000108.9
400P37.8Very low32.5Very low103 Ų103129.9 Ų129.967%0.66975%0.749SS**  trans-110.7172.7-161.343-36.5000114.5
401Q30.4Very low31.9Very low182 Ų182133.1 Ų133.185%0.8575%0.752SS**  trans-160.7114.8153.9-108.3176-20.800107.6
402S28.9Very low31.2Very low87 Ų87134.2 Ų134.261%0.60876%0.755SS**  87.9151.386.574.20000113
403N31.2Very low30.7Very low143 Ų143134.2 Ų134.277%0.76575%0.75SS**  trans117.5126.2170.6-62.5-6.1000111.4
404L30.5Very low30.4Very low137 Ų137136.5 Ų136.572%0.71775%0.752SS**  cis-164.5133.713.8-125.889.4000104.3
405I27.9Very low29.9Very low136 Ų136134.5 Ų134.570%0.69775%0.747SS**  52.8124.477.3-56.5177.5000111.4
406H29.7Very low29.8Very low173 Ų173136.5 Ų136.580%0.80175%0.745SS**  -167.716051.9-133.7-69.2000112.2
407S26.2Very low29.2Very low90 Ų90138 Ų13863%0.62975%0.747SS**  trans-50.8156.4169.359.20000119
408V30.1Very low28.5Very low135 Ų135143.2 Ų143.282%0.81876%0.76SS**  trans-154.5125.4131.1178.30000109.1V410V408-V410 HydrophobicContact CG1-CG2 4.16Å
409G25.4Very low28.3Very low70 Ų70145.2 Ų145.272%0.72276%0.761SS**  trans-105.7147.7158.200000109.8
410V27.6Very low28.3Very low136 Ų136142.6 Ų142.682%0.82476%0.755SS**  trans-152129.6161.4178.70000108.9V408V408-V410 HydrophobicContact CG1-CG2 4.16Å
411E24.4Very low27.8Very low170 Ų170141.9 Ų141.979%0.79475%0.752SS**  trans-48.5147.7167-85.3154.9122.700113.8
412T27.6Very low27.8Very low119 Ų119139.2 Ų139.273%0.7375%0.75SS**  -177.9134.483.531.90000110.7
413Q24.2Very low27.9Very low152 Ų152144.1 Ų144.171%0.7176%0.764SS**  47114.3126.6-136.2164.5-30.500117.4
414W26.9Very low27.8Very low214 Ų214145.4 Ų145.481%0.81177%0.765SS**  -154134.254-7678.4000110.6
415D24.7Very low27.8Very low145 Ų145149 Ų14978%0.77577%0.771SS**  trans-95.1115.8-176.8-158.4-6.5000111.2N417D415-N417 PolarHBondContact OD1-N 3.34Å
416Y29.3Very low27.9Very low207 Ų207151 Ų15181%0.81278%0.782SS**  trans-122.427.1174.2-110.4-77.1000111.9
417N27.8Very low27.9Very low139 Ų139147.4 Ų147.474%0.74377%0.768SS**  trans-113.974.9179.4-76.4-32.5000112.4D415D415-N417 PolarHBondContact OD1-N 3.34Å
418K24.9Very low28.1Very low209 Ų209147.8 Ų147.891%0.90976%0.763SS**  trans-124.360.5154.7-154.1175.3-173.11790109
419I28.5Very low28.3Very low146 Ų146146.3 Ų146.375%0.74976%0.756SS**  trans-90.7100.6164.6-64176.5000106.7S421I419-S421 PolarHBondContact O-N 2.84Å
420S30.1Very low28.8Very low102 Ų102148.7 Ų148.771%0.71375%0.752SS**  trans-47.9118.4161.542.10000110.9
421S28.1Very low29.3Very low88 Ų88147.2 Ų147.262%0.61574%0.737SS**  trans20.9111.8150.958.40000118.7I419 E423I419-S421 PolarHBondContact O-N 2.84Å; S421-E423 VanDerWaalsContact C-N 3.33Å; S421-E423 PolarHBondContact O-N 2.93Å
422P29.5Very low30Very low125 Ų125143.8 Ų143.881%0.81272%0.723SS**SBendtrans-87.371.9159.133.6-28.5000110.1
423E30.7Very low30.4Very low191 Ų191140.7 Ų140.789%0.89371%0.706SS**  trans-115.511.9168.1-85.4-166.3151.200113.8S421S421-E423 VanDerWaalsContact C-N 3.33Å; S421-E423 PolarHBondContact O-N 2.93Å
424E30.1Very low31.2Very low170 Ų170136.8 Ų136.879%0.79469%0.693SS**SBendtrans-124.616-171.8-135.4169.5-167.200116.6
425Y29.9Very low31.8Very low213 Ų213130.4 Ų130.484%0.83567%0.674SS**  trans-129.115.6-179.1-69.4-71.6000116.6L427Y425-L427 PolarHBondContact O-N 3.26Å
426L29.3Very low32.6Very low177 Ų177129 Ų12993%0.92766%0.663SS**  trans-94.377167.1-84162.8000109.8N428L426-N428 PolarHBondContact O-N 2.93Å; L426-N428 VanDerWaalsContact O-N 3.17Å
427L31.7Very low33Very low98 Ų98126.4 Ų126.451%0.51366%0.656SS.*  trans-57.6119163.2-99.9130.6000108.6Y425 E431 L435Y425-L427 PolarHBondContact O-N 3.26Å; L427-E431 HydrophobicContact CD2-CB 3.73Å; L427-L435 HydrophobicContact CD2-CD1 3.93Å
428N29.8Very low33.7Very low97 Ų97124.9 Ų124.952%0.51964%0.644SS.*  trans-50.4134.6178.4-157.1-7.1000109.7L426 N430 E431 L432L426-N428 PolarHBondContact O-N 2.93Å; L426-N428 VanDerWaalsContact O-N 3.17Å; N428-N430 PolarHBondContact O-N 3.01Å; N428-E431 HydrophobicContact CB-CB 4.41Å; N428-E431 HydrophobicContact CB-CG 3.98Å; N428-E431 WeakPolarHBondContact O-CB 3.4Å; N428-E431 PolarHBondContact O-N 2.87Å; N428-L432 PolarHBondContact O-N 3.1Å
429P34.6Very low34.4Very low105 Ų105121.1 Ų121.168%0.68263%0.63SS**THydrogen-bonded Turntrans-55.3-17.2180-26.534.1000114.7
430N34Very low34.8Very low119 Ų119120.1 Ų120.164%0.63663%0.625SS**THydrogen-bonded Turntrans-84.4-26.3175.1-66.3-12.1000113.4N428 S433N428-N430 PolarHBondContact O-N 3.01Å; N430-S433 PolarHBondContact O-OG 2.94Å
431E40.1Very low35Very low106 Ų106117.8 Ų117.850%0.49561%0.609SS.*Hα-helixtrans-78.1-30.5177.4-71-97.3139.800112.1L427 N428 S433 V434 L435L427-E431 HydrophobicContact CD2-CB 3.73Å; N428-E431 HydrophobicContact CB-CB 4.41Å; N428-E431 HydrophobicContact CB-CG 3.98Å; N428-E431 WeakPolarHBondContact O-CB 3.4Å; N428-E431 PolarHBondContact O-N 2.87Å; E431-S433 PolarHBondContact O-N 3.24Å; E431-V434 PolarHBondContact O-N 3.44Å; E431-L435 PolarHBondContact O-N 3Å
432L37.2Very low35.3Very low97 Ų97120.7 Ų120.751%0.50862%0.615SS.*Hα-helixtrans-64.5-27.9175.3-154.476.1000112N428 Q436N428-L432 PolarHBondContact O-N 3.1Å; L432-Q436 VanDerWaalsContact O-CB 3.29Å; L432-Q436 WeakPolarHBondContact O-CB 3.21Å; L432-Q436 WeakPolarHBondContact O-CG 3.36Å; L432-Q436 PolarHBondContact O-N 3.47Å; L432-Q436 PolarHBondContact O-OE1 2.84Å
433S37.1Very low35.6Very low55 Ų55121.2 Ų121.239%0.38561%0.61SS.*Hα-helixtrans-73.5-26.6172.781.50000113.1N430 E431 K437N430-S433 PolarHBondContact O-OG 2.94Å; E431-S433 PolarHBondContact O-N 3.24Å; S433-K437 VanDerWaalsContact O-CB 3.27Å; S433-K437 WeakPolarHBondContact O-CB 3.31Å; S433-K437 WeakPolarHBondContact O-CG 3.23Å; S433-K437 PolarHBondContact O-N 3.34Å; S433-K437 VanDerWaalsContact O-N 3.08Å
434V40.5Very low35.8Very low70 Ų70116.5 Ų116.542%0.42460%0.598SS.*Hα-helixtrans-81.7-41.2178.5179.10000110.3E431 K437 Q438E431-V434 PolarHBondContact O-N 3.44Å; V434-K437 CarbonylContact O-C 3.55Å; V434-K437 PolarHBondContact O-N 2.98Å; V434-Q438 WeakPolarHBondContact O-CB 3.1Å; V434-Q438 PolarHBondContact O-N 2.85Å
435L40.2Very low35.9Very low79 Ų79115.6 Ų115.641%0.41460%0.599SS.*Hα-helixtrans-71.3-34.7174.5-75.8169.2000112.9L427 E431 Q438 Q439L427-L435 HydrophobicContact CD2-CD1 3.93Å; E431-L435 PolarHBondContact O-N 3Å; L435-Q438 PolarHBondContact O-N 2.86Å; L435-Q439 WeakPolarHBondContact O-CB 3.44Å; L435-Q439 PolarHBondContact O-N 2.86Å
436Q41.5Very low36Very low116 Ų116108.4 Ų108.454%0.54259%0.589SS.*Hα-helixtrans-66.8-36.9168.2-80.7178.9-47.500111.8L432 L440L432-Q436 VanDerWaalsContact O-CB 3.29Å; L432-Q436 WeakPolarHBondContact O-CB 3.21Å; L432-Q436 WeakPolarHBondContact O-CG 3.36Å; L432-Q436 PolarHBondContact O-N 3.47Å; L432-Q436 PolarHBondContact O-OE1 2.84Å; Q436-L440 VanDerWaalsContact O-CB 3.31Å; Q436-L440 WeakPolarHBondContact O-CB 3.39Å; Q436-L440 VanDerWaalsContact O-CD1 3.27Å; Q436-L440 WeakPolarHBondContact O-CD1 3.5Å; Q436-L440 PolarHBondContact O-N 2.85Å
437K38.3Very low36.1Very low153 Ų153104.1 Ų104.167%0.66557%0.574SS**Hα-helixtrans-69.1-33.3172.6-82.1176.2177.9-178.60113S433 V434 S441S433-K437 VanDerWaalsContact O-CB 3.27Å; S433-K437 WeakPolarHBondContact O-CB 3.31Å; S433-K437 WeakPolarHBondContact O-CG 3.23Å; S433-K437 PolarHBondContact O-N 3.34Å; S433-K437 VanDerWaalsContact O-N 3.08Å; V434-K437 CarbonylContact O-C 3.55Å; V434-K437 PolarHBondContact O-N 2.98Å; K437-S441 VanDerWaalsContact O-CB 3.3Å; K437-S441 WeakPolarHBondContact O-CB 3.37Å; K437-S441 PolarHBondContact O-N 2.83Å; K437-S441 PolarHBondContact O-OG 3.1Å
438Q41.1Very low35.7Very low106 Ų106111 Ų11150%0.49559%0.593SS.*Hα-helixtrans-76.6-34.8175.7-90.6171.2-36.900113.1V434 L435 S441 M442V434-Q438 WeakPolarHBondContact O-CB 3.1Å; V434-Q438 PolarHBondContact O-N 2.85Å; L435-Q438 PolarHBondContact O-N 2.86Å; Q438-S441 WeakPolarHBondContact CA-OG 3.33Å; Q438-S441 PolarHBondContact O-OG 3.05Å; Q438-S441 VanDerWaalsContact O-OG 3.1Å; Q438-M442 WeakPolarHBondContact O-CB 3.22Å; Q438-M442 VanDerWaalsContact O-CG 3.3Å; Q438-M442 WeakPolarHBondContact O-CG 3.3Å; Q438-M442 PolarHBondContact O-N 3.27Å
439Q40.5Very low35.7Very low131 Ų131113 Ų11361%0.61260%0.603SS**Hα-helixtrans-72.3-34.6170.8-80.4-174.1-69.100112.1L435 L443L435-Q439 WeakPolarHBondContact O-CB 3.44Å; L435-Q439 PolarHBondContact O-N 2.86Å; Q439-L443 WeakPolarHBondContact O-CB 3.23Å; Q439-L443 WeakPolarHBondContact O-CD1 3.48Å; Q439-L443 VanDerWaalsContact O-CG 3.32Å; Q439-L443 WeakPolarHBondContact O-CG 3.45Å; Q439-L443 PolarHBondContact O-N 3.36Å
440L37.1Very low35.3Very low125 Ų125113 Ų11365%0.65461%0.605SS**Hα-helixtrans-72.5-31171.2-93.9121.9000112.9Q436 S444Q436-L440 VanDerWaalsContact O-CB 3.31Å; Q436-L440 WeakPolarHBondContact O-CB 3.39Å; Q436-L440 VanDerWaalsContact O-CD1 3.27Å; Q436-L440 WeakPolarHBondContact O-CD1 3.5Å; Q436-L440 PolarHBondContact O-N 2.85Å; L440-S444 WeakPolarHBondContact O-CB 3.44Å; L440-S444 PolarHBondContact O-N 2.78Å
441S32.5Very low34.9Very low53 Ų53117.8 Ų117.837%0.37162%0.616SS.*Hα-helixtrans-74.3-35.7173.370.90000112.1K437 Q438 S444 D445K437-S441 VanDerWaalsContact O-CB 3.3Å; K437-S441 WeakPolarHBondContact O-CB 3.37Å; K437-S441 PolarHBondContact O-N 2.83Å; K437-S441 PolarHBondContact O-OG 3.1Å; Q438-S441 WeakPolarHBondContact CA-OG 3.33Å; Q438-S441 PolarHBondContact O-OG 3.05Å; Q438-S441 VanDerWaalsContact O-OG 3.1Å; S441-S444 PolarHBondContact O-N 3.16Å; S441-D445 PolarHBondContact O-N 3.06Å; S441-D445 VanDerWaalsContact O-N 3.14Å
442M35.2Very low34.2Very low148 Ų148118.4 Ų118.473%0.72963%0.63SS**Hα-helixtrans-74.3-22.4174.3-70.2-143.4-72.300114Q438Q438-M442 WeakPolarHBondContact O-CB 3.22Å; Q438-M442 VanDerWaalsContact O-CG 3.3Å; Q438-M442 WeakPolarHBondContact O-CG 3.3Å; Q438-M442 PolarHBondContact O-N 3.27Å
443L36.2Very low33.9Very low136 Ų136120.3 Ų120.371%0.71265%0.646SS**Hα-helixtrans-88.4-14.7170.1-72.4166.1000113.1Q439Q439-L443 WeakPolarHBondContact O-CB 3.23Å; Q439-L443 WeakPolarHBondContact O-CD1 3.48Å; Q439-L443 VanDerWaalsContact O-CG 3.32Å; Q439-L443 WeakPolarHBondContact O-CG 3.45Å; Q439-L443 PolarHBondContact O-N 3.36Å
444S34.1Very low33.5Very low92 Ų92122.9 Ų122.964%0.64366%0.664SS**Hα-helixtrans-89.7-19.2174.9-175.80000113.6L440 S441L440-S444 WeakPolarHBondContact O-CB 3.44Å; L440-S444 PolarHBondContact O-N 2.78Å; S441-S444 PolarHBondContact O-N 3.16Å
445D33.6Very low33Very low151 Ų151125.2 Ų125.281%0.80768%0.678SS**SBendtrans-102.56.1179.4-85.8-27.8000114.3S441S441-D445 PolarHBondContact O-N 3.06Å; S441-D445 VanDerWaalsContact O-N 3.14Å
446G32.1Very low32.5Very low62 Ų62128.9 Ų128.964%0.63970%0.698SS**SBendtrans-113.43.9-172.700000117.2
447S29.9Very low31.8Very low87 Ų87126.9 Ų126.961%0.60871%0.709SS**  trans-144.654.7-172.554.10000113.9I449S447-I449 VanDerWaalsContact C-N 3.33Å; S447-I449 PolarHBondContact O-N 3.42Å
448R24.2Very low31.3Very low244 Ų244125.2 Ų125.292%0.92172%0.715SS**  trans-86.579.9148.3-74.9-170.8-157.5-1696.2108.8
449I29.2Very low30.7Very low139 Ų139129.5 Ų129.571%0.71374%0.736SS**  trans-104.691.7161.2-61177.1000105.8S447 Y451S447-I449 VanDerWaalsContact C-N 3.33Å; S447-I449 PolarHBondContact O-N 3.42Å; I449-Y451 HydrophobicContact CG2-CE2 4.38Å
450S25.8Very low30Very low105 Ų105133.3 Ų133.373%0.73475%0.75SS**PPolyproline II helixtrans-76.7120.5173-68.90000109.7
451Y27.3Very low29.6Very low219 Ų219132.2 Ų132.286%0.85975%0.753SS**PPolyproline II helixtrans-84.8117.9154.5-78.3-88.4000108.1I449I449-Y451 HydrophobicContact CG2-CE2 4.38Å
452C25.4Very low29.3Very low119 Ų119133.5 Ų133.580%0.80476%0.762SS**PPolyproline II helixtrans-87.9125.2168.7-75.30000109.6
453T29.2Very low29.1Very low137 Ų137133.7 Ų133.784%0.8476%0.761SS**  trans-137106.4150.444.90000110.8
454S28.6Very low28.8Very low109 Ų109135.4 Ų135.476%0.76277%0.765SS**SBendtrans84122.6145.890.10000120.7
455V30.2Very low28.6Very low118 Ų118141 Ų14172%0.71577%0.774SS**  trans86.197.2148.4-1600000118.5
456N30Very low28.6Very low156 Ų156139 Ų13983%0.83477%0.769SS**  trans87.1104.5150.8-59.8-13.1000120.7
457G27.8Very low28.4Very low75 Ų75142.2 Ų142.277%0.77377%0.771SS**  trans66.5140.5146.600000117.2
458C28.1Very low28.6Very low118 Ų118146.8 Ų146.880%0.79778%0.783SS**  cis-160.4133.415.2-79.50000106.4
459Q27.9Very low28.8Very low196 Ų196140.7 Ų140.792%0.91677%0.769SS**  54.3117.9108-88178.5-28.100117.6
460F25.2Very low28.9Very low211 Ų211143.8 Ų143.893%0.92577%0.773SS**  trans-98.1138.2174.4-133.3-92.3000110.2
461S29.1Very low29.1Very low101 Ų101145.2 Ų145.271%0.70677%0.772SS**  trans-160.4108.7168.4165.50000106.6
462S26.4Very low29Very low81 Ų81142.8 Ų142.857%0.56677%0.768SS**  89148.476.884.90000113.8
463H30.1Very low29.2Very low152 Ų152145.5 Ų145.570%0.70477%0.769SS**  trans91.3131.2-178.4-58.5-80.6000116.2
464H30.2Very low29.2Very low172 Ų172147.7 Ų147.780%0.79677%0.766SS**  cis-162144.71-118.8-14.9000109.8
465Y29.3Very low29Very low210 Ų210147.2 Ų147.282%0.82476%0.763SS**  trans-66-174.4168.9-93.4-94.7000112.3
466P34.4Very low28.8Very low108 Ų108149.4 Ų149.470%0.70177%0.769SS**  cis-150.1166.219.125.13.3000121.4
467N28.3Very low28.7Very low130 Ų130147.2 Ų147.270%0.69576%0.763SS**  trans69.2117.3134.2-71-14.8000124.4
468Q33.3Very low28.7Very low183 Ų183154.4 Ų154.486%0.85577%0.767SS**  171148.2107.7-93.7178.5-8.600107.5
469N28.7Very low28.6Very low116 Ų116151.7 Ų151.762%0.6276%0.759SS**  cis-178.5159.8-24.1-118.2-8.6000104.4
470Y30.7Very low28.6Very low203 Ų203149.7 Ų149.780%0.79676%0.755SS**  trans84.8103.3171.4-57.1-78.4000117.1
471L31.3Very low28.7Very low136 Ų136149 Ų14971%0.71275%0.747SS**  90107.853.2-78.7161.9000115.2
472Q25.4Very low28.7Very low167 Ų167148.4 Ų148.478%0.7875%0.748SS**  trans36.4123.7134.6-72.1177.6-32.900121
473H29Very low28.7Very low177 Ų177152.4 Ų152.482%0.81976%0.76SS**  178.9119.2129.9-112.9-107.1000108.7
474K28.4Very low28.6Very low182 Ų182152.7 Ų152.779%0.79177%0.767SS**  60.5110.785.8-129.2178.2-173.6-179.70114
475S25.2Very low28.4Very low99 Ų99152.5 Ų152.569%0.69277%0.766SS**  trans-14.8137.8161.854.10000118.2
476I26.9Very low28.3Very low165 Ų165147.1 Ų147.185%0.84676%0.759SS**  trans174.8151.2148.2-89.6151.5000109.7
477P27.6Very low28.1Very low110 Ų110148.9 Ų148.971%0.71476%0.763SS**  trans-98.8156.5-145.637.2-29.6000115G479P477-G479 PolarHBondContact O-N 2.9Å
478W28.1Very low28.3Very low226 Ų226150.9 Ų150.986%0.85677%0.768SS**  trans-98.983.9179.2-76.136.5000111.1Y481W478-Y481 HydrophobicContact CD2-CE2 4.46Å; W478-Y481 HydrophobicContact CE3-CD2 4.21Å; W478-Y481 HydrophobicContact CE3-CE2 4.17Å; W478-Y481 HydrophobicContact CH2-CE2 4.23Å; W478-Y481 HydrophobicContact CZ3-CD2 4.24Å; W478-Y481 HydrophobicContact CZ3-CE2 4.06Å
479G25.8Very low28.4Very low60 Ų60145.2 Ų145.262%0.61975%0.748SS**  trans-101.8151.5143.100000108.6P477P477-G479 PolarHBondContact O-N 2.9Å
480D27.3Very low28.8Very low155 Ų155141.4 Ų141.483%0.82974%0.736SS**  trans70.775.7172.3-57.2-19.4000118.4
481Y27.4Very low29.1Very low197 Ų197136.9 Ų136.977%0.77373%0.73SS**  trans-109.986.8138-79.6-76.5000109.3W478W478-Y481 HydrophobicContact CD2-CE2 4.46Å; W478-Y481 HydrophobicContact CE3-CD2 4.21Å; W478-Y481 HydrophobicContact CE3-CE2 4.17Å; W478-Y481 HydrophobicContact CH2-CE2 4.23Å; W478-Y481 HydrophobicContact CZ3-CD2 4.24Å; W478-Y481 HydrophobicContact CZ3-CE2 4.06Å
482A29.2Very low29.6Very low88 Ų88133.1 Ų133.173%0.72772%0.719SS**  trans-61.1125.5155.800000109.4N484A482-N484 PolarHBondContact O-N 3.33Å
483M25.9Very low30.5Very low164 Ų164131.6 Ų131.681%0.80871%0.71SS**  trans35.589.5135.3-148.5170.7179.600115.7
484N27.3Very low31.5Very low159 Ų159128.3 Ų128.385%0.8570%0.697SS**  trans-127.3115.3150.9-118.5-13.2000110.7A482 S486A482-N484 PolarHBondContact O-N 3.33Å; N484-S486 PolarHBondContact O-N 2.9Å
485Q27.3Very low32.5Very low168 Ų168125.8 Ų125.879%0.78569%0.688SS**  trans-65.6103.4179.5-69.3164.5-22.900110.2
486S27.7Very low34.1Very low96 Ų96124.7 Ų124.767%0.67167%0.674SS**  trans-170.886.3157.953.40000110.3N484N484-S486 PolarHBondContact O-N 2.9Å
487N29.6Very low35.7Very low146 Ų146124.2 Ų124.278%0.78167%0.666SS**SBendtrans172.88.4140.1-86-17.2000113.9S489 G490N487-S489 PolarHBondContact O-N 3.47Å; N487-G490 PolarHBondContact O-N 3.49Å
488E32.8Very low36.9Very low172 Ų172125 Ų12580%0.80466%0.661SS**Hα-helixtrans-66.8-4.8160.9-76.6-173.5140.200113.6G490 A492E488-G490 VanDerWaalsContact C-N 3.33Å; E488-G490 PolarHBondContact O-N 3.38Å; E488-A492 WeakPolarHBondContact O-CB 3.39Å
489S35.3Very low38.4Very low63 Ų63117.9 Ų117.944%0.44164%0.64SS.*Hα-helixtrans-78.5-11173.1104.10000113.8N487 K493N487-S489 PolarHBondContact O-N 3.47Å; S489-K493 WeakPolarHBondContact O-CB 3.38Å; S489-K493 WeakPolarHBondContact O-CD 3.31Å; S489-K493 WeakPolarHBondContact O-CG 3.13Å; S489-K493 PolarHBondContact O-N 3.46Å; S489-K493 PolarHBondContact OG-NZ 2.79Å
490G36.7Very low40.3Very low36 Ų36120.9 Ų120.937%0.37164%0.636SS.*Hα-helixtrans-85.2-53-177.500000113.9N487 E488 K493 I494N487-G490 PolarHBondContact O-N 3.49Å; E488-G490 VanDerWaalsContact C-N 3.33Å; E488-G490 PolarHBondContact O-N 3.38Å; G490-K493 PolarHBondContact O-N 2.78Å; G490-I494 WeakPolarHBondContact O-CD1 3.41Å; G490-I494 VanDerWaalsContact O-CG1 3.26Å; G490-I494 WeakPolarHBondContact O-CG1 3.31Å; G490-I494 PolarHBondContact O-N 2.77Å; G490-I494 VanDerWaalsContact O-N 3.11Å
491T37.9Very low41.8Very low108 Ų108121 Ų12166%0.66363%0.629SS**Hα-helixtrans-75.7-34.2179.238.40000112I494 H495T491-I494 PolarHBondContact O-N 3.32Å; T491-H495 PolarHBondContact O-N 3.36Å
492A40.7Very low43Very low58 Ų58118.8 Ų118.848%0.47962%0.624SS.*Hα-helixtrans-70.2-35.1170.600000112.8E488 I494 H495 D496E488-A492 WeakPolarHBondContact O-CB 3.39Å; A492-I494 VanDerWaalsContact C-N 3.34Å; A492-H495 PolarHBondContact O-N 2.98Å; A492-D496 VanDerWaalsContact O-CB 3.25Å; A492-D496 WeakPolarHBondContact O-CB 3.27Å; A492-D496 PolarHBondContact O-N 2.87Å
493K45.3Very low44.4Very low134 Ų134120.9 Ų120.958%0.58362%0.616SS**Hα-helixtrans-68.5-31172.3-82.6174.3-172.2155.10112.7S489 G490 K497S489-K493 WeakPolarHBondContact O-CB 3.38Å; S489-K493 WeakPolarHBondContact O-CD 3.31Å; S489-K493 WeakPolarHBondContact O-CG 3.13Å; S489-K493 PolarHBondContact O-N 3.46Å; S489-K493 PolarHBondContact OG-NZ 2.79Å; G490-K493 PolarHBondContact O-N 2.78Å; K493-K497 WeakPolarHBondContact O-CB 3.27Å; K493-K497 PolarHBondContact O-N 3.43Å
494I48.4Very low45.8Very low108 Ų108119.4 Ų119.455%0.55461%0.608SS**Hα-helixtrans-71.4-42.8174.4-67.7164.2000110G490 T491 A492 K497 M498G490-I494 WeakPolarHBondContact O-CD1 3.41Å; G490-I494 VanDerWaalsContact O-CG1 3.26Å; G490-I494 WeakPolarHBondContact O-CG1 3.31Å; G490-I494 PolarHBondContact O-N 2.77Å; G490-I494 VanDerWaalsContact O-N 3.11Å; T491-I494 PolarHBondContact O-N 3.32Å; A492-I494 VanDerWaalsContact C-N 3.34Å; I494-K497 PolarHBondContact O-N 2.94Å; I494-M498 WeakPolarHBondContact O-CB 3.37Å; I494-M498 WeakPolarHBondContact O-CG 3.42Å; I494-M498 PolarHBondContact O-N 2.83Å
495H50.3Low46.7Very low129 Ų129115.5 Ų115.560%0.59759%0.593SS**Hα-helixtrans-67.1-39.6176.4-149-92.9000112T491 A492 M498 L499T491-H495 PolarHBondContact O-N 3.36Å; A492-H495 PolarHBondContact O-N 2.98Å; H495-M498 PolarHBondContact O-N 2.78Å; H495-L499 WeakPolarHBondContact O-CB 3.23Å; H495-L499 PolarHBondContact O-N 3Å
496D59.4Low47.4Very low77 Ų77115.4 Ų115.441%0.41259%0.59SS.*Hα-helixtrans-74.3-32.8176.1-164.450.9000112.8A492 L499 K500A492-D496 VanDerWaalsContact O-CB 3.25Å; A492-D496 WeakPolarHBondContact O-CB 3.27Å; A492-D496 PolarHBondContact O-N 2.87Å; D496-L499 PolarHBondContact O-N 2.83Å; D496-K500 VanDerWaalsContact O-CB 3.3Å; D496-K500 WeakPolarHBondContact O-CB 3.4Å; D496-K500 WeakPolarHBondContact O-CG 3.14Å; D496-K500 PolarHBondContact O-N 2.89Å; D496-K500 IonicContact OD2-NZ 2.77Å; D496-K500 PolarHBondContact OD2-NZ 2.95Å
497K59.7Low48.3Very low155 Ų155117.9 Ų117.967%0.67459%0.591SS**Hα-helixtrans-64.4-40.1168.3-102.9-178.5172.3175.50111.5K493 I494 K501K493-K497 WeakPolarHBondContact O-CB 3.27Å; K493-K497 PolarHBondContact O-N 3.43Å; I494-K497 PolarHBondContact O-N 2.94Å; K497-K501 WeakPolarHBondContact O-CB 3.23Å; K497-K501 WeakPolarHBondContact O-CG 3.24Å; K497-K501 PolarHBondContact O-N 2.81Å
498M53.1Low48.9Very low125 Ų125119.2 Ų119.262%0.61659%0.592SS**Hα-helixtrans-66.2-42.3174.8-77.5-128.6-86.200111.1I494 H495 K501 F502I494-M498 WeakPolarHBondContact O-CB 3.37Å; I494-M498 WeakPolarHBondContact O-CG 3.42Å; I494-M498 PolarHBondContact O-N 2.83Å; H495-M498 PolarHBondContact O-N 2.78Å; M498-K501 PolarHBondContact O-N 2.9Å; M498-F502 WeakPolarHBondContact O-CB 3.3Å; M498-F502 PolarHBondContact O-N 3.43Å
499L59.9Low49.2Very low78 Ų78114.8 Ų114.841%0.40858%0.58SS.*Hα-helixtrans-67.6-36.7176.6-122121.5000113H495 D496 F502 K503H495-L499 WeakPolarHBondContact O-CB 3.23Å; H495-L499 PolarHBondContact O-N 3Å; D496-L499 PolarHBondContact O-N 2.83Å; L499-F502 PolarHBondContact O-N 2.86Å; L499-K503 WeakPolarHBondContact O-CB 3.25Å; L499-K503 PolarHBondContact O-N 3Å
500K65.2Low49.3Very low122 Ų122122.8 Ų122.853%0.5360%0.601SS.*Hα-helixtrans-69.4-39.7173.3-82.7173.4174.5141.80112.3D496 F502 K503 Q504D496-K500 VanDerWaalsContact O-CB 3.3Å; D496-K500 WeakPolarHBondContact O-CB 3.4Å; D496-K500 WeakPolarHBondContact O-CG 3.14Å; D496-K500 PolarHBondContact O-N 2.89Å; D496-K500 IonicContact OD2-NZ 2.77Å; D496-K500 PolarHBondContact OD2-NZ 2.95Å; K500-F502 VanDerWaalsContact C-N 3.32Å; K500-K503 PolarHBondContact O-N 3.13Å; K500-Q504 WeakPolarHBondContact O-CB 3.33Å; K500-Q504 PolarHBondContact O-N 3.25Å
501K59.6Low49.2Very low159 Ų159124.8 Ų124.869%0.69162%0.622SS**Hα-helixtrans-63.6-38.2170.5-81.8-170173.1-172.10111.7K497 M498 S505K497-K501 WeakPolarHBondContact O-CB 3.23Å; K497-K501 WeakPolarHBondContact O-CG 3.24Å; K497-K501 PolarHBondContact O-N 2.81Å; M498-K501 PolarHBondContact O-N 2.9Å; K501-S505 WeakPolarHBondContact O-CB 3.42Å; K501-S505 PolarHBondContact O-N 2.83Å
502F51.9Low49.1Very low150 Ų150123 Ų12366%0.65861%0.614SS**Hα-helixtrans-70.1-32.4175-120-87.7000113.2M498 L499 K500 S505 K506M498-F502 WeakPolarHBondContact O-CB 3.3Å; M498-F502 PolarHBondContact O-N 3.43Å; L499-F502 PolarHBondContact O-N 2.86Å; K500-F502 VanDerWaalsContact C-N 3.32Å; F502-S505 PolarHBondContact O-OG 3.08Å; F502-K506 WeakPolarHBondContact O-CB 3.35Å; F502-K506 PolarHBondContact O-N 3.13Å
503K59.3Low48.7Very low131 Ų131127.7 Ų127.757%0.5764%0.636SS**Hα-helixtrans-77.9-38.3174.6-80.3-176.2176.5179.90112.4L499 K500 K506 Q507L499-K503 WeakPolarHBondContact O-CB 3.25Å; L499-K503 PolarHBondContact O-N 3Å; K500-K503 PolarHBondContact O-N 3.13Å; K503-K506 PolarHBondContact O-N 3.3Å; K503-K506 VanDerWaalsContact O-N 3.13Å; K503-Q507 PolarHBondContact O-N 3.36Å
504Q53.8Low48.4Very low133 Ų133127.3 Ų127.362%0.62164%0.639SS**Hα-helixtrans-64.3-39.2172.1-87.9176.8-29.400111.8K500 K506 Q507 Q508K500-Q504 WeakPolarHBondContact O-CB 3.33Å; K500-Q504 PolarHBondContact O-N 3.25Å; Q504-K506 PolarHBondContact O-N 3.42Å; Q504-Q507 PolarHBondContact O-N 3.11Å; Q504-Q508 WeakPolarHBondContact O-CB 3.43Å; Q504-Q508 PolarHBondContact O-N 2.92Å; Q504-Q508 VanDerWaalsContact O-N 3.14Å
505S46Very low47.6Very low77 Ų77131.9 Ų131.954%0.53866%0.655SS.*Hα-helixtrans-68.4-22.8173.383.90000113K501 F502K501-S505 WeakPolarHBondContact O-CB 3.42Å; K501-S505 PolarHBondContact O-N 2.83Å; F502-S505 PolarHBondContact O-OG 3.08Å
506K42Very low47Very low166 Ų166131.7 Ų131.772%0.72266%0.658SS**Hα-helixtrans-88.5-20.3178.6-148.4172.9-171.7179.20113.6F502 K503 Q504F502-K506 WeakPolarHBondContact O-CB 3.35Å; F502-K506 PolarHBondContact O-N 3.13Å; K503-K506 PolarHBondContact O-N 3.3Å; K503-K506 VanDerWaalsContact O-N 3.13Å; Q504-K506 PolarHBondContact O-N 3.42Å
507Q47.7Very low46Very low148 Ų148136.8 Ų136.869%0.69268%0.679SS**Hα-helixtrans-94.6-25.1176.3-106.5161.7-49.300113.7K503 Q504 S509K503-Q507 PolarHBondContact O-N 3.36Å; Q504-Q507 PolarHBondContact O-N 3.11Å; Q507-S509 PolarHBondContact O-N 3.32Å
508Q41.6Very low45.6Very low175 Ų175137 Ų13782%0.81868%0.681SS**THydrogen-bonded Turntrans-80.42.6174.9-152.2150.2-5.700113.7Q504Q504-Q508 WeakPolarHBondContact O-CB 3.43Å; Q504-Q508 PolarHBondContact O-N 2.92Å; Q504-Q508 VanDerWaalsContact O-N 3.14Å
509S39.8Very low45.6Very low79 Ų79136.3 Ų136.355%0.55268%0.679SS**THydrogen-bonded Turntrans-102.94.6176.6-174.40000113.6Q507Q507-S509 PolarHBondContact O-N 3.32Å
510R36.2Very low45.6Very low231 Ų231138 Ų13887%0.87269%0.688SS**SBendtrans-106.886175.6-98.1-179.5154.3174-6.3109.2
511G34.7Very low45.8Very low78 Ų78133.8 Ų133.880%0.80468%0.68SS**SBendtrans141.841.9174.500000115.5
512S37.4Very low46.5Very low71 Ų71131.3 Ų131.350%0.49767%0.674SS.*  trans-167.3118.8162.256.60000108.1I514S512-I514 VanDerWaalsContact C-N 3.28Å; S512-I514 PolarHBondContact O-N 3.36Å; S512-I514 VanDerWaalsContact OG-CD1 3.31Å; S512-I514 WeakPolarHBondContact OG-CD1 3.44Å
513T32.2Very low47.3Very low156 Ų156129.7 Ų129.796%0.95767%0.671SS**  trans-55.490.6162.238.30000109.2
514I38Very low47.9Very low125 Ų125126.2 Ų126.264%0.64166%0.663SS**  trans-134.1122.6176.9-61.6178.6000107.4S512 L516S512-I514 VanDerWaalsContact C-N 3.28Å; S512-I514 PolarHBondContact O-N 3.36Å; S512-I514 VanDerWaalsContact OG-CD1 3.31Å; S512-I514 WeakPolarHBondContact OG-CD1 3.44Å; I514-L516 PolarHBondContact O-N 3.16Å
515K31.4Very low48.9Very low204 Ų204124.1 Ų124.189%0.88766%0.656SS**  trans-41.2103.2171.9-72.2173.3173.31790110.7
516L38.7Very low50.3Low125 Ų125123.3 Ų123.365%0.65465%0.654SS**  trans-101.874.1168.6-14886.9000107.2I514 F518I514-L516 PolarHBondContact O-N 3.16Å; L516-F518 HydrophobicContact CD2-CD2 3.45Å; L516-F518 VanDerWaalsContact CD2-CD2 3.45Å; L516-F518 HydrophobicContact CD2-CE2 3.95Å; L516-F518 HydrophobicContact CG-CD2 3.86Å; L516-F518 PolarHBondContact O-N 2.82Å
517E37.2Very low52Low185 Ų185120.4 Ų120.486%0.86465%0.646SS**  trans-65.779.5156.1-84.6-174.1146.700106.8N519E517-N519 PolarHBondContact O-N 3.02Å
518F52.9Low53.4Low159 Ų159118.1 Ų118.170%0.69763%0.634SS**  trans-65.6105.8164.2-129.7-95.8000105.3L516 L520L516-F518 HydrophobicContact CD2-CD2 3.45Å; L516-F518 VanDerWaalsContact CD2-CD2 3.45Å; L516-F518 HydrophobicContact CD2-CE2 3.95Å; L516-F518 HydrophobicContact CG-CD2 3.86Å; L516-F518 PolarHBondContact O-N 2.82Å; F518-L520 VanDerWaalsContact C-N 3.33Å; F518-L520 PolarHBondContact O-N 3.42Å
519N52.4Low55.3Low110 Ų110115.5 Ų115.559%0.58862%0.622SS**  trans-62.2100.2179.4-120.3-29000107.3E517 G521 D522E517-N519 PolarHBondContact O-N 3.02Å; N519-G521 PolarHBondContact O-N 2.9Å; N519-D522 PolarHBondContact O-N 2.93Å
520L58.9Low57.2Low114 Ų114117 Ų11760%0.59762%0.623SS**Hα-helixtrans-49.8-23.1172.9-162.982.3000110.8F518 C524F518-L520 VanDerWaalsContact C-N 3.33Å; F518-L520 PolarHBondContact O-N 3.42Å; L520-C524 VanDerWaalsContact O-CB 3.29Å; L520-C524 WeakPolarHBondContact O-CB 3.47Å; L520-C524 PolarHBondContact O-N 3.3Å
521G70.7Confident59.1Low34 Ų34109.3 Ų109.335%0.35160%0.598SS.*Hα-helixtrans-59.4-42.617000000115.1N519 C524 N525N519-G521 PolarHBondContact O-N 2.9Å; G521-C524 PolarHBondContact O-N 3.11Å; G521-N525 WeakPolarHBondContact O-CB 3.49Å; G521-N525 PolarHBondContact O-N 2.92Å; G521-N525 PolarHBondContact O-ND2 2.86Å
522D73Confident61.3Low107 Ų107110.8 Ų110.857%0.57259%0.587SS**Hα-helixtrans-73.2-38.9-174.9-68.3-29.4000112.3N519 C524 N525 A526N519-D522 PolarHBondContact O-N 2.93Å; D522-C524 VanDerWaalsContact C-N 3.34Å; D522-N525 PolarHBondContact O-N 2.79Å; D522-A526 PolarHBondContact O-N 3.19Å
523L69.9Low63.3Low115 Ų115114.9 Ų114.960%0.60260%0.595SS**Hα-helixtrans-64.3-41.7173-165.784000111N525 A526 L527L523-N525 VanDerWaalsContact C-N 3.32Å; L523-N525 PolarHBondContact O-N 2.92Å; L523-A526 PolarHBondContact O-N 3.32Å; L523-L527 WeakPolarHBondContact O-CB 3.48Å; L523-L527 PolarHBondContact O-N 2.82Å
524C71.9Confident65.6Low59 Ų59111.6 Ų111.640%0.39957%0.571SS.*Hα-helixtrans-63.4-39.3176-1660000111.2L520 G521 D522 K528L520-C524 VanDerWaalsContact O-CB 3.29Å; L520-C524 WeakPolarHBondContact O-CB 3.47Å; L520-C524 PolarHBondContact O-N 3.3Å; G521-C524 PolarHBondContact O-N 3.11Å; D522-C524 VanDerWaalsContact C-N 3.34Å; C524-K528 WeakPolarHBondContact O-CB 3.4Å; C524-K528 VanDerWaalsContact O-CG 3.28Å; C524-K528 WeakPolarHBondContact O-CG 3.27Å; C524-K528 PolarHBondContact O-N 2.84Å
525N75.4Confident67.5Low88 Ų88107.9 Ų107.947%0.47156%0.559SS.*Hα-helixtrans-66.6-41.7176.1-72.2-21.2000112.5G521 D522 L523 K528 Q529G521-N525 WeakPolarHBondContact O-CB 3.49Å; G521-N525 PolarHBondContact O-N 2.92Å; G521-N525 PolarHBondContact O-ND2 2.86Å; D522-N525 PolarHBondContact O-N 2.79Å; L523-N525 VanDerWaalsContact C-N 3.32Å; L523-N525 PolarHBondContact O-N 2.92Å; N525-K528 PolarHBondContact O-N 2.8Å; N525-Q529 WeakPolarHBondContact O-CG 3.36Å; N525-Q529 PolarHBondContact O-N 3.25Å
526A74.9Confident69.7Low61 Ų61104.8 Ų104.850%0.50455%0.545SS..Hα-helixtrans-65-41.7176.400000112.3D522 L523 Q529 L530D522-A526 PolarHBondContact O-N 3.19Å; L523-A526 PolarHBondContact O-N 3.32Å; A526-Q529 PolarHBondContact O-N 2.88Å; A526-L530 PolarHBondContact O-N 2.89Å
527L77.2Confident71.6Confident104 Ų104106.3 Ų106.355%0.54555%0.547SS..Hα-helixtrans-66.7-40177.5-154.1151.6000110.9L523 Q529 L530 M531L523-L527 WeakPolarHBondContact O-CB 3.48Å; L523-L527 PolarHBondContact O-N 2.82Å; L527-Q529 PolarHBondContact O-N 2.82Å; L527-L530 PolarHBondContact O-N 3.02Å; L527-M531 HydrophobicContact CD2-CG 3.83Å; L527-M531 WeakPolarHBondContact O-CB 3.42Å; L527-M531 WeakPolarHBondContact O-CG 3.28Å; L527-M531 PolarHBondContact O-N 3.11Å
528K77.9Confident73.5Confident101 Ų101101 Ų10144%0.43952%0.524SS..Hα-helixtrans-58-45170.2-79.1178.2177.9-174.10112.4C524 N525 L530 M531 L532C524-K528 WeakPolarHBondContact O-CB 3.4Å; C524-K528 VanDerWaalsContact O-CG 3.28Å; C524-K528 WeakPolarHBondContact O-CG 3.27Å; C524-K528 PolarHBondContact O-N 2.84Å; N525-K528 PolarHBondContact O-N 2.8Å; K528-L530 PolarHBondContact O-N 2.81Å; K528-M531 PolarHBondContact O-N 2.71Å; K528-L532 WeakPolarHBondContact O-CB 3.48Å; K528-L532 WeakPolarHBondContact O-CG 3.47Å; K528-L532 PolarHBondContact O-N 2.99Å
529Q80.9Confident74.6Confident120 Ų12099 Ų9956%0.56152%0.517SS*.Hα-helixtrans-63.5-39.9178.5-74.3-70.3-21.100112.6N525 A526 L527 L532 K533N525-Q529 WeakPolarHBondContact O-CG 3.36Å; N525-Q529 PolarHBondContact O-N 3.25Å; A526-Q529 PolarHBondContact O-N 2.88Å; L527-Q529 PolarHBondContact O-N 2.82Å; Q529-L532 PolarHBondContact O-N 2.81Å; Q529-K533 PolarHBondContact O-N 2.53Å
530L79.6Confident75.6Confident110 Ų11098.1 Ų98.158%0.57651%0.511SS*.Hα-helixtrans-70.7-42.2179.2-161141.7000111.6A526 L527 K528 L532 K533 I534A526-L530 PolarHBondContact O-N 2.89Å; L527-L530 PolarHBondContact O-N 3.02Å; K528-L530 PolarHBondContact O-N 2.81Å; L530-L532 VanDerWaalsContact C-N 3.35Å; L530-L532 PolarHBondContact O-N 2.92Å; L530-K533 WeakPolarHBondContact O-CB 3.22Å; L530-K533 PolarHBondContact O-N 2.98Å; L530-I534 HydrophobicContact CD2-CD1 3.57Å; L530-I534 HydrophobicContact CD2-CG1 4.3Å; L530-I534 WeakPolarHBondContact O-CG1 3.33Å; L530-I534 PolarHBondContact O-N 2.93Å
531M76.9Confident76.4Confident70 Ų7094.4 Ų94.435%0.34550%0.497SS..Hα-helixtrans-59.1-43.7172.3-71.6-90.5-67.100112L364 L527 K528 K533 I534 A535L364-M531 HydrophobicContact CB-CE 4.32Å; L364-M531 HydrophobicContact CD1-CE 3.33Å; L364-M531 HydrophobicContact CD2-CE 3.14Å; L364-M531 HydrophobicContact CG-CE 3.71Å; L527-M531 HydrophobicContact CD2-CG 3.83Å; L527-M531 WeakPolarHBondContact O-CB 3.42Å; L527-M531 WeakPolarHBondContact O-CG 3.28Å; L527-M531 PolarHBondContact O-N 3.11Å; K528-M531 PolarHBondContact O-N 2.71Å; M531-K533 VanDerWaalsContact C-N 3.33Å; M531-K533 PolarHBondContact O-N 3.47Å; M531-I534 PolarHBondContact O-N 2.89Å; M531-A535 VanDerWaalsContact O-CB 3.3Å; M531-A535 WeakPolarHBondContact O-CB 3.3Å; M531-A535 PolarHBondContact O-N 2.94Å
532L80.6Confident76.7Confident109 Ų10995.3 Ų95.357%0.57149%0.492SS*.Hα-helixtrans-64-36.8175.6-73.7170000112.1K528 Q529 L530 K536K528-L532 WeakPolarHBondContact O-CB 3.48Å; K528-L532 WeakPolarHBondContact O-CG 3.47Å; K528-L532 PolarHBondContact O-N 2.99Å; Q529-L532 PolarHBondContact O-N 2.81Å; L530-L532 VanDerWaalsContact C-N 3.35Å; L530-L532 PolarHBondContact O-N 2.92Å; L532-K536 VanDerWaalsContact O-CB 3.23Å; L532-K536 WeakPolarHBondContact O-CB 3.47Å; L532-K536 PolarHBondContact O-N 3.26Å
533K79Confident76.5Confident156 Ų15692.9 Ų92.968%0.67848%0.475SS*.Hα-helixtrans-66.7-42.6174-80.3-175.9179.2-179.30112.4Q529 L530 M531 K537Q529-K533 PolarHBondContact O-N 2.53Å; L530-K533 WeakPolarHBondContact O-CB 3.22Å; L530-K533 PolarHBondContact O-N 2.98Å; M531-K533 VanDerWaalsContact C-N 3.33Å; M531-K533 PolarHBondContact O-N 3.47Å; K533-K537 WeakPolarHBondContact O-CB 3.3Å; K533-K537 PolarHBondContact O-N 3.11Å
534I79.6Confident76.7Confident87 Ų8789.5 Ų89.545%0.44646%0.458SS..Hα-helixtrans-64.5-50.3176.5-68173.4000109.8L530 M531 K536 K537 D538L530-I534 HydrophobicContact CD2-CD1 3.57Å; L530-I534 HydrophobicContact CD2-CG1 4.3Å; L530-I534 WeakPolarHBondContact O-CG1 3.33Å; L530-I534 PolarHBondContact O-N 2.93Å; M531-I534 PolarHBondContact O-N 2.89Å; I534-K536 VanDerWaalsContact C-N 3.3Å; I534-K536 PolarHBondContact O-N 3.48Å; I534-K537 WeakPolarHBondContact O-CB 3.48Å; I534-K537 PolarHBondContact O-N 2.9Å; I534-D538 PolarHBondContact O-N 3.02Å
535A78.9Confident76.8Confident47 Ų4793 Ų9339%0.38846%0.463SS..Hα-helixtrans-56.3-43.7177.600000112M531 K537 D538 E539M531-A535 VanDerWaalsContact O-CB 3.3Å; M531-A535 WeakPolarHBondContact O-CB 3.3Å; M531-A535 PolarHBondContact O-N 2.94Å; A535-K537 PolarHBondContact O-N 3.29Å; A535-D538 PolarHBondContact O-N 3.08Å; A535-E539 WeakPolarHBondContact O-CB 3.34Å; A535-E539 WeakPolarHBondContact O-CG 3.46Å; A535-E539 PolarHBondContact O-N 3.08Å
536K77.6Confident76.7Confident139 Ų13990.4 Ų90.460%0.60445%0.448SS*.Hα-helixtrans-65-37.3176.2-172.8175.2-178177.50112.8L532 I534 I540L532-K536 VanDerWaalsContact O-CB 3.23Å; L532-K536 WeakPolarHBondContact O-CB 3.47Å; L532-K536 PolarHBondContact O-N 3.26Å; I534-K536 VanDerWaalsContact C-N 3.3Å; I534-K536 PolarHBondContact O-N 3.48Å; K536-I540 HydrophobicContact CG-CD1 4.43Å; K536-I540 WeakPolarHBondContact O-CD1 3.37Å; K536-I540 VanDerWaalsContact O-CG1 3.27Å; K536-I540 WeakPolarHBondContact O-CG1 3.34Å; K536-I540 PolarHBondContact O-N 3.49Å
537K78Confident76.6Confident158 Ų15888 Ų8869%0.68743%0.425SS*.Hα-helixtrans-67.7-41.3176-170.3177.2178.8-179.60110.8K533 I534 A535 I540 A541K533-K537 WeakPolarHBondContact O-CB 3.3Å; K533-K537 PolarHBondContact O-N 3.11Å; I534-K537 WeakPolarHBondContact O-CB 3.48Å; I534-K537 PolarHBondContact O-N 2.9Å; A535-K537 PolarHBondContact O-N 3.29Å; K537-I540 PolarHBondContact O-N 2.84Å; K537-A541 PolarHBondContact O-N 3.02Å
538D78.3Confident76.5Confident73 Ų7387.6 Ų87.639%0.3942%0.417SS..Hα-helixtrans-66.9-39.2176.9-72.6-20.2000112.1I534 A535 I540 A541 Q542I534-D538 PolarHBondContact O-N 3.02Å; A535-D538 PolarHBondContact O-N 3.08Å; D538-I540 VanDerWaalsContact C-N 3.31Å; D538-I540 PolarHBondContact O-N 3.45Å; D538-A541 PolarHBondContact O-N 3.08Å; D538-Q542 WeakPolarHBondContact O-CB 3.22Å; D538-Q542 PolarHBondContact O-N 2.85Å
539E75.6Confident76.3Confident118 Ų11884.8 Ų84.855%0.55141%0.406SS*.Hα-helixtrans-62.4-35.2173.1-79.6-176.2173.500113A535 R543A535-E539 WeakPolarHBondContact O-CB 3.34Å; A535-E539 WeakPolarHBondContact O-CG 3.46Å; A535-E539 PolarHBondContact O-N 3.08Å; E539-R543 WeakPolarHBondContact O-CB 3.32Å; E539-R543 WeakPolarHBondContact O-CG 3.29Å; E539-R543 PolarHBondContact O-N 3.08Å; E539-R543 PolarHBondContact O-NE 2.98Å; E539-R543 VanDerWaalsContact O-NE 3.12Å
540I73.8Confident76Confident90 Ų9079.2 Ų79.246%0.46238%0.381SS..Hα-helixtrans-70.3-45.8175-67.3162.9000109.8K536 K537 D538 Q542 R543 D544K536-I540 HydrophobicContact CG-CD1 4.43Å; K536-I540 WeakPolarHBondContact O-CD1 3.37Å; K536-I540 VanDerWaalsContact O-CG1 3.27Å; K536-I540 WeakPolarHBondContact O-CG1 3.34Å; K536-I540 PolarHBondContact O-N 3.49Å; K537-I540 PolarHBondContact O-N 2.84Å; D538-I540 VanDerWaalsContact C-N 3.31Å; D538-I540 PolarHBondContact O-N 3.45Å; I540-Q542 PolarHBondContact O-N 3.35Å; I540-R543 PolarHBondContact O-N 3.07Å; I540-D544 PolarHBondContact O-N 3.26Å
541A75.2Confident75.7Confident36 Ų3674.3 Ų74.330%0.29836%0.355SS..Hα-helixtrans-64-39.4178.900000112.2K537 D538 D544 R545K537-A541 PolarHBondContact O-N 3.02Å; D538-A541 PolarHBondContact O-N 3.08Å; A541-D544 PolarHBondContact O-N 3.37Å; A541-R545 WeakPolarHBondContact O-CG 3.43Å; A541-R545 PolarHBondContact O-N 3.34Å
542Q76Confident75.6Confident53 Ų5375.5 Ų75.525%0.24836%0.361CS..Hα-helixtrans-63.9-45175.9-177.1173.2-24.700111.5D538 I540 D544 R545 E546D538-Q542 WeakPolarHBondContact O-CB 3.22Å; D538-Q542 PolarHBondContact O-N 2.85Å; I540-Q542 PolarHBondContact O-N 3.35Å; Q542-D544 VanDerWaalsContact C-N 3.34Å; Q542-D544 PolarHBondContact O-N 3.22Å; Q542-R545 WeakPolarHBondContact O-CB 3.19Å; Q542-R545 PolarHBondContact O-N 3.18Å; Q542-E546 WeakPolarHBondContact O-CG 3.4Å; Q542-E546 PolarHBondContact O-N 3.34Å
543R69.8Low75.5Confident56 Ų5670.4 Ų70.421%0.21133%0.334CS..Hα-helixtrans-61.2-42.2176.1-77.6-177.5-71153.9-11.3112E539 I540 R545 E546 W547E539-R543 WeakPolarHBondContact O-CB 3.32Å; E539-R543 WeakPolarHBondContact O-CG 3.29Å; E539-R543 PolarHBondContact O-N 3.08Å; E539-R543 PolarHBondContact O-NE 2.98Å; E539-R543 VanDerWaalsContact O-NE 3.12Å; I540-R543 PolarHBondContact O-N 3.07Å; R543-R545 VanDerWaalsContact C-N 3.33Å; R543-R545 PolarHBondContact O-N 2.89Å; R543-E546 PolarHBondContact O-N 2.94Å; R543-W547 PolarHBondContact O-N 2.87Å
544D72.8Confident75.5Confident45 Ų4564.8 Ų64.824%0.24131%0.311CS..Hα-helixtrans-64.9-37.4177.5-168.847.9000111.9H323 I540 A541 Q542 W547 R548H323-D544 IonicContact CD2-OD1 3.54Å; H323-D544 IonicContact CE1-OD1 3.81Å; H323-D544 IonicContact NE2-OD1 3.9Å; H323-D544 PolarHBondContact NE2-OD1 3.14Å; I540-D544 PolarHBondContact O-N 3.26Å; A541-D544 PolarHBondContact O-N 3.37Å; Q542-D544 VanDerWaalsContact C-N 3.34Å; Q542-D544 PolarHBondContact O-N 3.22Å; D544-W547 PolarHBondContact O-N 3.15Å; D544-R548 WeakPolarHBondContact O-CB 3.44Å; D544-R548 WeakPolarHBondContact O-CG 3.5Å; D544-R548 PolarHBondContact O-N 3.07Å; D544-R548 IonicContact OD1-NE 3Å; D544-R548 IonicContact OD1-NH2 3.79Å; D544-R548 IonicContact OD2-CZ 2.92Å; D544-R548 IonicContact OD2-NE 3.09Å; D544-R548 PolarHBondContact OD2-NE 3.24Å; D544-R548 IonicContact OD2-NH2 2.74Å; D544-R548 PolarHBondContact OD2-NH2 2.82Å
545R74.2Confident75.5Confident132 Ų13261 Ų6150%0.49829%0.292SS..Hα-helixtrans-61.5-44.3171.8-72.9-172.1-64-92.74.6112.6A541 Q542 R543 R548 L549A541-R545 WeakPolarHBondContact O-CG 3.43Å; A541-R545 PolarHBondContact O-N 3.34Å; Q542-R545 WeakPolarHBondContact O-CB 3.19Å; Q542-R545 PolarHBondContact O-N 3.18Å; R543-R545 VanDerWaalsContact C-N 3.33Å; R543-R545 PolarHBondContact O-N 2.89Å; R545-R548 PolarHBondContact O-N 3.17Å; R545-L549 PolarHBondContact O-N 3.35Å
546E73.8Confident75.6Confident34 Ų3463.6 Ų63.616%0.15929%0.292CS..Hα-helixtrans-61.5-44.2177.2-70.8177.8-17900111.7V332 L352 Q542 R543 L549 V550V332-E546 HydrophobicContact CG2-CB 3.84Å; L352-E546 HydrophobicContact CD2-CG 4.47Å; Q542-E546 WeakPolarHBondContact O-CG 3.4Å; Q542-E546 PolarHBondContact O-N 3.34Å; R543-E546 PolarHBondContact O-N 2.94Å; E546-L549 WeakPolarHBondContact O-CB 3.22Å; E546-L549 PolarHBondContact O-N 3.12Å; E546-V550 VanDerWaalsContact O-CG2 3.24Å; E546-V550 WeakPolarHBondContact O-CG2 3.42Å; E546-V550 PolarHBondContact O-N 2.96Å
547W73.6Confident75.8Confident10 Ų1059.1 Ų59.14%0.03827%0.274CS..Hα-helixtrans-66.1-40.5176.3-80.6102.4000113R326 V332 L336 R543 D544 L549 V550 L551R326-W547 VanDerWaalsContact CD-CE2 3.4Å; R326-W547 VanDerWaalsContact CD-NE1 3.26Å; V332-W547 HydrophobicContact CB-CZ2 3.95Å; V332-W547 HydrophobicContact CG1-CH2 4.03Å; V332-W547 HydrophobicContact CG1-CZ2 3.93Å; V332-W547 HydrophobicContact CG2-CD2 4.31Å; V332-W547 HydrophobicContact CG2-CH2 4.44Å; V332-W547 HydrophobicContact CG2-CZ2 3.64Å; L336-W547 HydrophobicContact CD2-CH2 3.83Å; L336-W547 HydrophobicContact CD2-CZ3 3.99Å; R543-W547 PolarHBondContact O-N 2.87Å; D544-W547 PolarHBondContact O-N 3.15Å; W547-L549 VanDerWaalsContact C-N 3.28Å; W547-L549 PolarHBondContact O-N 2.87Å; W547-V550 HydrophobicContact CZ3-CG1 4.32Å; W547-V550 PolarHBondContact O-N 3.06Å; W547-L551 VanDerWaalsContact O-CB 3.3Å; W547-L551 WeakPolarHBondContact O-CB 3.4Å; W547-L551 WeakPolarHBondContact O-CD1 3.42Å; W547-L551 VanDerWaalsContact O-CG 3.29Å; W547-L551 WeakPolarHBondContact O-CG 3.48Å; W547-L551 PolarHBondContact O-N 2.95Å
548R74.7Confident76.1Confident95 Ų9554.2 Ų54.236%0.35825%0.253SS..Hα-helixtrans-58.4-42173.1-75.5171.3-167.7-77.4-10.9111.3Q262 D544 R545 L551 M552Q262-R548 VanDerWaalsContact NE2-CG 3.32Å; D544-R548 WeakPolarHBondContact O-CB 3.44Å; D544-R548 WeakPolarHBondContact O-CG 3.5Å; D544-R548 PolarHBondContact O-N 3.07Å; D544-R548 IonicContact OD1-NE 3Å; D544-R548 IonicContact OD1-NH2 3.79Å; D544-R548 IonicContact OD2-CZ 2.92Å; D544-R548 IonicContact OD2-NE 3.09Å; D544-R548 PolarHBondContact OD2-NE 3.24Å; D544-R548 IonicContact OD2-NH2 2.74Å; D544-R548 PolarHBondContact OD2-NH2 2.82Å; R545-R548 PolarHBondContact O-N 3.17Å; R548-L551 WeakPolarHBondContact O-CB 3.43Å; R548-L551 PolarHBondContact O-N 2.88Å; R548-M552 WeakPolarHBondContact O-CB 3.41Å; R548-M552 VanDerWaalsContact O-CG 3.23Å; R548-M552 WeakPolarHBondContact O-CG 3.42Å; R548-M552 PolarHBondContact O-N 3.45Å
549L73.4Confident76.5Confident42 Ų4251.3 Ų51.322%0.2224%0.238CC..Hα-helixtrans-64.6-45.5177.4-167.186.1000111.8V340 V349 L352 R545 E546 W547 L551 M552 T553V340-L549 HydrophobicContact CG1-CD2 4.06Å; V349-L549 HydrophobicContact CG1-CD1 3.81Å; L352-L549 HydrophobicContact CD1-CD1 4.37Å; L352-L549 HydrophobicContact CD1-CD2 3.99Å; R545-L549 PolarHBondContact O-N 3.35Å; E546-L549 WeakPolarHBondContact O-CB 3.22Å; E546-L549 PolarHBondContact O-N 3.12Å; W547-L549 VanDerWaalsContact C-N 3.28Å; W547-L549 PolarHBondContact O-N 2.87Å; L549-L551 VanDerWaalsContact C-N 3.33Å; L549-L551 PolarHBondContact O-N 3.05Å; L549-M552 PolarHBondContact O-N 3.15Å; L549-T553 WeakPolarHBondContact O-CB 3.35Å; L549-T553 PolarHBondContact O-N 3.37Å; L549-T553 PolarHBondContact O-OG1 2.79Å
550V74.3Confident77Confident4 Ų453.1 Ų53.12%0.02424%0.24CC..Hα-helixtrans-57.6-49.1176.7172.10000110.2V332 L336 V340 E546 W547 T553 I554V332-V550 HydrophobicContact CG1-CG2 3.99Å; L336-V550 HydrophobicContact CD1-CG1 4.4Å; L336-V550 HydrophobicContact CD2-CG1 3.71Å; L336-V550 HydrophobicContact CG-CG1 4Å; V340-V550 HydrophobicContact CG2-CB 4.15Å; V340-V550 HydrophobicContact CG2-CG1 4.04Å; V340-V550 HydrophobicContact CG2-CG2 3.97Å; E546-V550 VanDerWaalsContact O-CG2 3.24Å; E546-V550 WeakPolarHBondContact O-CG2 3.42Å; E546-V550 PolarHBondContact O-N 2.96Å; W547-V550 HydrophobicContact CZ3-CG1 4.32Å; W547-V550 PolarHBondContact O-N 3.06Å; V550-T553 PolarHBondContact O-N 3.34Å; V550-I554 HydrophobicContact CG1-CD1 3.91Å; V550-I554 WeakPolarHBondContact O-CG1 3.25Å; V550-I554 PolarHBondContact O-N 2.78Å
551L74.4Confident77.6Confident6 Ų654 Ų543%0.03124%0.24CC..Hα-helixtrans-57.1-52177.6-82.6166.8000112.1P261 Q262 V319 W547 R548 L549 T553 I554 D555P261-L551 HydrophobicContact CB-CD2 4.02Å; P261-L551 HydrophobicContact CG-CB 3.6Å; P261-L551 HydrophobicContact CG-CD1 4.1Å; P261-L551 HydrophobicContact CG-CD2 3.43Å; P261-L551 VanDerWaalsContact CG-CD2 3.43Å; P261-L551 HydrophobicContact CG-CG 3.9Å; Q262-L551 HydrophobicContact CG-CD1 4.21Å; V319-L551 HydrophobicContact CB-CD2 3.31Å; V319-L551 HydrophobicContact CB-CG 4.44Å; V319-L551 HydrophobicContact CG1-CD2 3.04Å; V319-L551 HydrophobicContact CG1-CG 3.66Å; V319-L551 HydrophobicContact CG2-CD2 4.21Å; W547-L551 VanDerWaalsContact O-CB 3.3Å; W547-L551 WeakPolarHBondContact O-CB 3.4Å; W547-L551 WeakPolarHBondContact O-CD1 3.42Å; W547-L551 VanDerWaalsContact O-CG 3.29Å; W547-L551 WeakPolarHBondContact O-CG 3.48Å; W547-L551 PolarHBondContact O-N 2.95Å; R548-L551 WeakPolarHBondContact O-CB 3.43Å; R548-L551 PolarHBondContact O-N 2.88Å; L549-L551 VanDerWaalsContact C-N 3.33Å; L549-L551 PolarHBondContact O-N 3.05Å; L551-T553 VanDerWaalsContact C-N 3.29Å; L551-T553 PolarHBondContact O-N 2.9Å; L551-I554 PolarHBondContact O-N 2.97Å; L551-D555 PolarHBondContact O-N 2.78Å
552M75.2Confident78.3Confident96 Ų9652.4 Ų52.447%0.47323%0.227SC..Hα-helixtrans-62.4-36.5178.5-71.8175.1-178.400112.3R548 L549 R556R548-M552 WeakPolarHBondContact O-CB 3.41Å; R548-M552 VanDerWaalsContact O-CG 3.23Å; R548-M552 WeakPolarHBondContact O-CG 3.42Å; R548-M552 PolarHBondContact O-N 3.45Å; L549-M552 PolarHBondContact O-N 3.15Å; M552-R556 VanDerWaalsContact O-CB 3.26Å; M552-R556 WeakPolarHBondContact O-CB 3.37Å; M552-R556 PolarHBondContact O-N 2.88Å
553T78.4Confident78.8Confident1 Ų151 Ų511%0.00622%0.223CC..Hα-helixtrans-67.7-43.5178.8-54.80000111V340 F343 L549 V550 L551 R556 L557V340-T553 HydrophobicContact CG1-CG2 4.17Å; V340-T553 HydrophobicContact CG2-CG2 4.45Å; F343-T553 HydrophobicContact CB-CG2 3.96Å; L549-T553 WeakPolarHBondContact O-CB 3.35Å; L549-T553 PolarHBondContact O-N 3.37Å; L549-T553 PolarHBondContact O-OG1 2.79Å; V550-T553 PolarHBondContact O-N 3.34Å; L551-T553 VanDerWaalsContact C-N 3.29Å; L551-T553 PolarHBondContact O-N 2.9Å; T553-R556 PolarHBondContact O-N 2.97Å; T553-L557 HydrophobicContact CG2-CD1 4.43Å; T553-L557 WeakPolarHBondContact O-CG 3.42Å; T553-L557 PolarHBondContact O-N 3.2Å
554I78.1Confident79.7Confident39 Ų3951.6 Ų51.620%0.223%0.233CC..Hα-helixtrans-62.5-49.2176.6-68.7169.4000110.4V319 V550 L551 R556 L557 F558V319-I554 HydrophobicContact CG2-CD1 4.18Å; V550-I554 HydrophobicContact CG1-CD1 3.91Å; V550-I554 WeakPolarHBondContact O-CG1 3.25Å; V550-I554 PolarHBondContact O-N 2.78Å; L551-I554 PolarHBondContact O-N 2.97Å; I554-R556 VanDerWaalsContact C-N 3.31Å; I554-R556 PolarHBondContact O-N 3.38Å; I554-L557 WeakPolarHBondContact O-CB 3.44Å; I554-L557 PolarHBondContact O-N 2.72Å; I554-F558 HydrophobicContact CG2-CD2 3.68Å; I554-F558 HydrophobicContact CG2-CE2 3.66Å; I554-F558 VanDerWaalsContact O-CD2 3.31Å; I554-F558 WeakPolarHBondContact O-CD2 3.49Å; I554-F558 PolarHBondContact O-N 3.46Å
555D80.4Confident80.5Confident8 Ų851.3 Ų51.34%0.04323%0.233CC..Hα-helixtrans-61.1-39.4179-84.3-18.6000112.4P261 K266 L551 F558 C559P261-D555 VanDerWaalsContact CD-OD2 3.26Å; P261-D555 WeakPolarHBondContact CD-OD2 3.18Å; P261-D555 WeakPolarHBondContact CG-OD2 3.2Å; K266-D555 IonicContact NZ-OD1 3.17Å; K266-D555 PolarHBondContact NZ-OD1 2.98Å; K266-D555 IonicContact NZ-OD2 2.75Å; K266-D555 PolarHBondContact NZ-OD2 2.93Å; L551-D555 PolarHBondContact O-N 2.78Å; D555-F558 PolarHBondContact O-N 2.88Å; D555-C559 WeakPolarHBondContact O-CB 3.46Å; D555-C559 PolarHBondContact O-N 3.47Å
556R81.1Confident81.3Confident101 Ų10145.7 Ų45.738%0.38121%0.213SC..Hα-helixtrans-68.1-36177-164.6170.5-173.6-179.7-1.3112.2L347 V349 M552 T553 I554 C559 W560L347-R556 HydrophobicContact CD1-CB 4.1Å; L347-R556 HydrophobicContact CD1-CG 4.08Å; L347-R556 HydrophobicContact CD2-CG 4.29Å; L347-R556 PolarHBondContact O-NH1 3.31Å; L347-R556 PolarHBondContact O-NH2 3.47Å; L347-R556 VanDerWaalsContact O-NH2 3.15Å; V349-R556 VanDerWaalsContact CG2-NH1 3.29Å; M552-R556 VanDerWaalsContact O-CB 3.26Å; M552-R556 WeakPolarHBondContact O-CB 3.37Å; M552-R556 PolarHBondContact O-N 2.88Å; T553-R556 PolarHBondContact O-N 2.97Å; I554-R556 VanDerWaalsContact C-N 3.31Å; I554-R556 PolarHBondContact O-N 3.38Å; R556-C559 WeakPolarHBondContact O-CB 3.36Å; R556-C559 PolarHBondContact O-N 3.08Å; R556-W560 VanDerWaalsContact O-CD1 3.29Å; R556-W560 PolarHBondContact O-N 2.8Å
557L81.6Confident82Confident45 Ų4549.4 Ų49.424%0.23623%0.233CC..Hα-helixtrans-63.7-46.6171.9-72.9167.3000111.9F343 L347 T553 I554 C559 W560 F561F343-L557 HydrophobicContact CB-CD1 3.7Å; F343-L557 HydrophobicContact CB-CD2 3.87Å; F343-L557 HydrophobicContact CB-CG 4.12Å; F343-L557 HydrophobicContact CD1-CD1 3.91Å; F343-L557 HydrophobicContact CD1-CD2 3.2Å; F343-L557 HydrophobicContact CD1-CG 4.15Å; F343-L557 HydrophobicContact CD2-CD1 3.54Å; F343-L557 HydrophobicContact CD2-CD2 4.42Å; F343-L557 HydrophobicContact CE1-CD1 4.37Å; F343-L557 HydrophobicContact CE1-CD2 3.72Å; F343-L557 HydrophobicContact CE2-CD1 4.06Å; F343-L557 HydrophobicContact CG-CD1 3.45Å; F343-L557 VanDerWaalsContact CG-CD1 3.45Å; F343-L557 HydrophobicContact CG-CD2 3.6Å; F343-L557 HydrophobicContact CG-CG 4.06Å; F343-L557 HydrophobicContact CZ-CD1 4.44Å; L347-L557 HydrophobicContact CD1-CD2 3.53Å; L347-L557 HydrophobicContact CD1-CG 3.65Å; L347-L557 HydrophobicContact CG-CD2 4.3Å; T553-L557 HydrophobicContact CG2-CD1 4.43Å; T553-L557 WeakPolarHBondContact O-CG 3.42Å; T553-L557 PolarHBondContact O-N 3.2Å; I554-L557 WeakPolarHBondContact O-CB 3.44Å; I554-L557 PolarHBondContact O-N 2.72Å; L557-C559 VanDerWaalsContact C-N 3.28Å; L557-C559 PolarHBondContact O-N 3Å; L557-W560 PolarHBondContact O-N 3.46Å; L557-F561 WeakPolarHBondContact O-CB 3.45Å; L557-F561 PolarHBondContact O-N 2.97Å
558F84.1Confident82.7Confident55 Ų5553.9 Ų53.924%0.24126%0.261CS..Hα-helixtrans-62.7-36.3174.7-84.1-73.8000111.7F257 L311 A315 I554 D555 F561 Y562F257-F558 HydrophobicContact CD1-CB 3.97Å; F257-F558 HydrophobicContact CE1-CB 3.73Å; L311-F558 HydrophobicContact CD2-CE1 4.24Å; L311-F558 HydrophobicContact CG-CE1 4.25Å; A315-F558 HydrophobicContact CB-CE2 3.95Å; A315-F558 HydrophobicContact CB-CZ 4.09Å; I554-F558 HydrophobicContact CG2-CD2 3.68Å; I554-F558 HydrophobicContact CG2-CE2 3.66Å; I554-F558 VanDerWaalsContact O-CD2 3.31Å; I554-F558 WeakPolarHBondContact O-CD2 3.49Å; I554-F558 PolarHBondContact O-N 3.46Å; D555-F558 PolarHBondContact O-N 2.88Å; F558-F561 PolarHBondContact O-N 3.38Å; F558-Y562 WeakPolarHBondContact O-CA 3.42Å; F558-Y562 WeakPolarHBondContact O-CB 3.25Å; F558-Y562 PolarHBondContact O-N 3.03Å
559C86.7Confident83.4Confident12 Ų1250.3 Ų50.38%0.08125%0.252CS..Hα-helixtrans-58.8-48.8174-169.10000111.6F257 D555 R556 L557 S563F257-C559 HydrophobicContact CB-CB 3.47Å; F257-C559 VanDerWaalsContact CB-CB 3.47Å; F257-C559 HydrophobicContact CD2-CB 4.24Å; F257-C559 HydrophobicContact CG-CB 3.86Å; D555-C559 WeakPolarHBondContact O-CB 3.46Å; D555-C559 PolarHBondContact O-N 3.47Å; R556-C559 WeakPolarHBondContact O-CB 3.36Å; R556-C559 PolarHBondContact O-N 3.08Å; L557-C559 VanDerWaalsContact C-N 3.28Å; L557-C559 PolarHBondContact O-N 3Å; C559-S563 WeakPolarHBondContact O-CB 3.45Å; C559-S563 PolarHBondContact O-N 3.4Å; C559-S563 PolarHBondContact O-OG 3.38Å
560W84.9Confident84.1Confident155 Ų15549.2 Ų49.259%0.58725%0.25SS*.Hα-helixtrans-64.2-47.7179-89.591.3000111L347 R556 L557 S563 T564L347-W560 HydrophobicContact CD2-CG 4.04Å; R556-W560 VanDerWaalsContact O-CD1 3.29Å; R556-W560 PolarHBondContact O-N 2.8Å; L557-W560 PolarHBondContact O-N 3.46Å; W560-S563 PolarHBondContact O-N 3.39Å; W560-T564 WeakPolarHBondContact O-CB 3.5Å; W560-T564 VanDerWaalsContact O-CG2 3.26Å; W560-T564 WeakPolarHBondContact O-CG2 3.47Å; W560-T564 PolarHBondContact O-N 3.32Å; W560-T564 PolarHBondContact O-OG1 2.9Å
561F87.9Confident84.6Confident108 Ų10852.5 Ų52.547%0.47427%0.271SS..Hα-helixtrans-61.1-46177.1179.1-104.4000112.3L308 L557 F558 T564 V565L308-F561 HydrophobicContact CD2-CD1 4.21Å; L308-F561 HydrophobicContact CD2-CE1 3.58Å; L557-F561 WeakPolarHBondContact O-CB 3.45Å; L557-F561 PolarHBondContact O-N 2.97Å; F558-F561 PolarHBondContact O-N 3.38Å; F561-T564 PolarHBondContact O-OG1 3.13Å; F561-V565 HydrophobicContact CD2-CG2 4.29Å; F561-V565 HydrophobicContact CE1-CG2 4.36Å; F561-V565 HydrophobicContact CE2-CG2 3.98Å; F561-V565 HydrophobicContact CZ-CG2 4.02Å; F561-V565 WeakPolarHBondContact O-CB 3.48Å; F561-V565 WeakPolarHBondContact O-CG2 3.1Å; F561-V565 PolarHBondContact O-N 2.95Å; F561-V565 VanDerWaalsContact O-N 3.08Å
562Y89.1Confident85Confident3 Ų357.3 Ų57.31%0.01229%0.289CS..Hα-helixtrans-61.7-50.1177177.9-93.3000110.9T253 F257 N305 L308 F558 T564 V565 V566T253-Y562 VanDerWaalsContact CB-OH 3.28Å; T253-Y562 WeakPolarHBondContact CB-OH 3.39Å; T253-Y562 WeakPolarHBondContact OG1-CE1 3.27Å; T253-Y562 PolarHBondContact OG1-OH 3.16Å; F257-Y562 HydrophobicContact CD2-CD1 4.31Å; F257-Y562 HydrophobicContact CD2-CG 4.5Å; F257-Y562 AromaticContact CE2-CD1 3.48Å; F257-Y562 HydrophobicContact CE2-CD1 3.48Å; F257-Y562 VanDerWaalsContact CE2-CD1 3.48Å; F257-Y562 HydrophobicContact CE2-CD2 4.03Å; F257-Y562 HydrophobicContact CE2-CE1 4.14Å; F257-Y562 AromaticContact CE2-CG 3.42Å; F257-Y562 HydrophobicContact CE2-CG 3.42Å; F257-Y562 VanDerWaalsContact CE2-CG 3.42Å; F257-Y562 HydrophobicContact CZ-CD1 4.27Å; F257-Y562 HydrophobicContact CZ-CD2 4.03Å; F257-Y562 AromaticContact CZ-CG 3.73Å; F257-Y562 HydrophobicContact CZ-CG 3.73Å; N305-Y562 PolarHBondContact OD1-OH 3.38Å; L308-Y562 HydrophobicContact CB-CD2 3.78Å; L308-Y562 HydrophobicContact CB-CE2 4.06Å; L308-Y562 HydrophobicContact CD1-CD2 3.69Å; L308-Y562 HydrophobicContact CD1-CE2 4.1Å; L308-Y562 HydrophobicContact CG-CD2 4.37Å; F558-Y562 WeakPolarHBondContact O-CA 3.42Å; F558-Y562 WeakPolarHBondContact O-CB 3.25Å; F558-Y562 PolarHBondContact O-N 3.03Å; Y562-T564 PolarHBondContact O-N 3.38Å; Y562-V565 PolarHBondContact O-N 3.4Å; Y562-V566 HydrophobicContact CD1-CG2 4.17Å; Y562-V566 HydrophobicContact CD2-CG2 4.05Å; Y562-V566 HydrophobicContact CE1-CB 4.37Å; Y562-V566 HydrophobicContact CE1-CG2 3.83Å; Y562-V566 HydrophobicContact CE2-CG2 3.67Å; Y562-V566 HydrophobicContact CG-CG2 4.28Å; Y562-V566 VanDerWaalsContact O-CB 3.27Å; Y562-V566 WeakPolarHBondContact O-CB 3.32Å; Y562-V566 VanDerWaalsContact O-CG2 3.26Å; Y562-V566 WeakPolarHBondContact O-CG2 3.39Å; Y562-V566 PolarHBondContact O-N 2.94Å
563S87.2Confident85.4Confident23 Ų2354.4 Ų54.416%0.16128%0.275CS..Hα-helixtrans-63.5-41.9-177.5-57.90000111.6C559 W560 I567C559-S563 WeakPolarHBondContact O-CB 3.45Å; C559-S563 PolarHBondContact O-N 3.4Å; C559-S563 PolarHBondContact O-OG 3.38Å; W560-S563 PolarHBondContact O-N 3.39Å; S563-I567 VanDerWaalsContact O-CB 3.23Å; S563-I567 WeakPolarHBondContact O-CB 3.31Å; S563-I567 WeakPolarHBondContact O-CD1 3.25Å; S563-I567 WeakPolarHBondContact O-CG1 3.37Å; S563-I567 PolarHBondContact O-N 2.97Å
564T87.7Confident85.4Confident69 Ų6959 Ų5942%0.42330%0.299SS..Hα-helixtrans-65.1-47.1177.954.60000111.4W560 F561 Y562 V566 V568W560-T564 WeakPolarHBondContact O-CB 3.5Å; W560-T564 VanDerWaalsContact O-CG2 3.26Å; W560-T564 WeakPolarHBondContact O-CG2 3.47Å; W560-T564 PolarHBondContact O-N 3.32Å; W560-T564 PolarHBondContact O-OG1 2.9Å; F561-T564 PolarHBondContact O-OG1 3.13Å; Y562-T564 PolarHBondContact O-N 3.38Å; T564-V566 PolarHBondContact O-N 3.46Å; T564-V568 WeakPolarHBondContact O-CB 3.39Å; T564-V568 WeakPolarHBondContact O-CG2 3.4Å; T564-V568 PolarHBondContact O-N 3.47Å
565V90Very high85.2Confident40 Ų4063.6 Ų63.624%0.24232%0.318CS..Hα-helixtrans-63.3-44.6179.4177.10000110.8L304 L308 F561 Y562 V568 A569L304-V565 HydrophobicContact CD1-CG1 3.87Å; L304-V565 HydrophobicContact CD2-CG1 3.78Å; L304-V565 HydrophobicContact CG-CG1 4.3Å; L308-V565 HydrophobicContact CD1-CB 4.35Å; L308-V565 HydrophobicContact CD1-CG1 4.11Å; F561-V565 HydrophobicContact CD2-CG2 4.29Å; F561-V565 HydrophobicContact CE1-CG2 4.36Å; F561-V565 HydrophobicContact CE2-CG2 3.98Å; F561-V565 HydrophobicContact CZ-CG2 4.02Å; F561-V565 WeakPolarHBondContact O-CB 3.48Å; F561-V565 WeakPolarHBondContact O-CG2 3.1Å; F561-V565 PolarHBondContact O-N 2.95Å; F561-V565 VanDerWaalsContact O-N 3.08Å; Y562-V565 PolarHBondContact O-N 3.4Å; V565-V568 PolarHBondContact O-N 3.47Å; V565-A569 WeakPolarHBondContact O-CB 3.36Å; V565-A569 PolarHBondContact O-N 2.91Å
566V90.4Very high84.5Confident13 Ų1366.5 Ų66.58%0.07934%0.337CS..Hα-helixtrans-70.5-38.7-178.4170.30000112.2F301 L304 L308 Y562 T564 G570F301-V566 HydrophobicContact CE2-CG1 4.11Å; F301-V566 HydrophobicContact CZ-CG1 3.89Å; L304-V566 HydrophobicContact CD2-CG2 4.48Å; L308-V566 HydrophobicContact CD1-CG2 4.43Å; Y562-V566 HydrophobicContact CD1-CG2 4.17Å; Y562-V566 HydrophobicContact CD2-CG2 4.05Å; Y562-V566 HydrophobicContact CE1-CB 4.37Å; Y562-V566 HydrophobicContact CE1-CG2 3.83Å; Y562-V566 HydrophobicContact CE2-CG2 3.67Å; Y562-V566 HydrophobicContact CG-CG2 4.28Å; Y562-V566 VanDerWaalsContact O-CB 3.27Å; Y562-V566 WeakPolarHBondContact O-CB 3.32Å; Y562-V566 VanDerWaalsContact O-CG2 3.26Å; Y562-V566 WeakPolarHBondContact O-CG2 3.39Å; Y562-V566 PolarHBondContact O-N 2.94Å; T564-V566 PolarHBondContact O-N 3.46Å; V566-G570 WeakPolarHBondContact O-CA 3.19Å; V566-G570 PolarHBondContact O-N 3.35Å
567I88.3Confident83.6Confident112 Ų11270.9 Ų70.957%0.57435%0.354SS*.Hα-helixtrans-65.4-46.8174.8-70.3166.2000110.1S563 A569 G570 V571S563-I567 VanDerWaalsContact O-CB 3.23Å; S563-I567 WeakPolarHBondContact O-CB 3.31Å; S563-I567 WeakPolarHBondContact O-CD1 3.25Å; S563-I567 WeakPolarHBondContact O-CG1 3.37Å; S563-I567 PolarHBondContact O-N 2.97Å; I567-A569 PolarHBondContact O-N 3.02Å; I567-G570 PolarHBondContact O-N 3.17Å; I567-V571 HydrophobicContact CG2-CG2 4.35Å; I567-V571 WeakPolarHBondContact O-CB 3.23Å; I567-V571 VanDerWaalsContact O-CG2 3.26Å; I567-V571 WeakPolarHBondContact O-CG2 3.24Å; I567-V571 PolarHBondContact O-N 3.38Å
568V89.2Confident82.3Confident104 Ų10470.5 Ų70.563%0.6336%0.36SS*.Hα-helixtrans-61.5-45.8178.51710000110.8T564 V565 Y572T564-V568 WeakPolarHBondContact O-CB 3.39Å; T564-V568 WeakPolarHBondContact O-CG2 3.4Å; T564-V568 PolarHBondContact O-N 3.47Å; V565-V568 PolarHBondContact O-N 3.47Å; V568-Y572 WeakPolarHBondContact O-CB 3.25Å; V568-Y572 PolarHBondContact O-N 3Å
569A88.4Confident80.9Confident21 Ų2177.1 Ų77.117%0.17438%0.384CS..Hα-helixtrans-66.5-40.3177.400000111.9F301 V565 I567 Y572 L573F301-A569 HydrophobicContact CD2-CB 3.73Å; F301-A569 HydrophobicContact CE2-CB 3.95Å; V565-A569 WeakPolarHBondContact O-CB 3.36Å; V565-A569 PolarHBondContact O-N 2.91Å; I567-A569 PolarHBondContact O-N 3.02Å; A569-Y572 WeakPolarHBondContact O-CB 3.38Å; A569-Y572 PolarHBondContact O-N 3.37Å; A569-L573 VanDerWaalsContact O-CG 3.32Å; A569-L573 WeakPolarHBondContact O-CG 3.46Å; A569-L573 PolarHBondContact O-N 3.34Å
570G87.7Confident79.6Confident18 Ų1879.3 Ų79.319%0.18640%0.399CS..Hα-helixtrans-64.8-42.5177.400000112.9V566 I567 Y572 L573 L574V566-G570 WeakPolarHBondContact O-CA 3.19Å; V566-G570 PolarHBondContact O-N 3.35Å; I567-G570 PolarHBondContact O-N 3.17Å; G570-Y572 VanDerWaalsContact C-N 3.33Å; G570-L573 PolarHBondContact O-N 2.62Å; G570-L574 WeakPolarHBondContact O-CG 3.44Å; G570-L574 PolarHBondContact O-N 2.9Å
571V85.8Confident78.8Confident74 Ų7476.3 Ų76.345%0.44839%0.392SS..Hα-helixtrans-62.2-43.3172.3170.80000110.2I567 L573 L574 F575I567-V571 HydrophobicContact CG2-CG2 4.35Å; I567-V571 WeakPolarHBondContact O-CB 3.23Å; I567-V571 VanDerWaalsContact O-CG2 3.26Å; I567-V571 WeakPolarHBondContact O-CG2 3.24Å; I567-V571 PolarHBondContact O-N 3.38Å; V571-L573 PolarHBondContact O-N 2.87Å; V571-L574 PolarHBondContact O-N 3.42Å; V571-F575 HydrophobicContact CG1-CD2 3.78Å; V571-F575 HydrophobicContact CG1-CE2 3.99Å; V571-F575 VanDerWaalsContact O-CD2 3.31Å; V571-F575 WeakPolarHBondContact O-CD2 3.48Å; V571-F575 PolarHBondContact O-N 3.06Å
572Y83.7Confident78.5Confident106 Ų10674.6 Ų74.642%0.41639%0.39SS..Hα-helixtrans-59.6-35.1176.6-173-92000112.8Y297 V568 A569 G570Y297-Y572 AromaticContact CD1-CE1 3.92Å; Y297-Y572 HydrophobicContact CD1-CE1 3.92Å; Y297-Y572 HydrophobicContact CD2-CE1 4.35Å; Y297-Y572 AromaticContact CE1-CE1 3.95Å; Y297-Y572 HydrophobicContact CE1-CE1 3.95Å; Y297-Y572 HydrophobicContact CE2-CE1 4.37Å; Y297-Y572 HydrophobicContact CG-CE1 4.14Å; V568-Y572 WeakPolarHBondContact O-CB 3.25Å; V568-Y572 PolarHBondContact O-N 3Å; A569-Y572 WeakPolarHBondContact O-CB 3.38Å; A569-Y572 PolarHBondContact O-N 3.37Å; G570-Y572 VanDerWaalsContact C-N 3.33Å
573L83.5Confident78.2Confident36 Ų3676.5 Ų76.519%0.18840%0.402CS..Hα-helixtrans-73.1-40.8176.4-67.7168000113.8Y297 L298 F301 A569 G570 V571 F575Y297-L573 WeakPolarHBondContact O-CD2 3.42Å; L298-L573 HydrophobicContact CD1-CD1 4.44Å; F301-L573 HydrophobicContact CB-CD1 3.49Å; F301-L573 VanDerWaalsContact CB-CD1 3.49Å; F301-L573 HydrophobicContact CB-CG 4.48Å; F301-L573 HydrophobicContact CD1-CD1 4.04Å; F301-L573 HydrophobicContact CD2-CD1 3.5Å; F301-L573 HydrophobicContact CE2-CD1 4.17Å; F301-L573 HydrophobicContact CG-CD1 3.4Å; A569-L573 VanDerWaalsContact O-CG 3.32Å; A569-L573 WeakPolarHBondContact O-CG 3.46Å; A569-L573 PolarHBondContact O-N 3.34Å; G570-L573 PolarHBondContact O-N 2.62Å; V571-L573 PolarHBondContact O-N 2.87Å; L573-F575 VanDerWaalsContact C-N 3.33Å
574L77.1Confident78.3Confident97 Ų9780.8 Ų80.851%0.50842%0.423SS..Hα-helixtrans-76.1-22.2-174.2-70.6176.7000113.2V243 G570 V571 P576V243-L574 HydrophobicContact CG1-CD2 4.22Å; G570-L574 WeakPolarHBondContact O-CG 3.44Å; G570-L574 PolarHBondContact O-N 2.9Å; V571-L574 PolarHBondContact O-N 3.42Å; L574-P576 WeakPolarHBondContact O-CD 3.46Å
575F75.4Confident78.3Confident135 Ų13580.1 Ų80.159%0.59242%0.415SS*.SBendtrans-102.389.9173.9-69-76.8000109.6V571 L573 R577V571-F575 HydrophobicContact CG1-CD2 3.78Å; V571-F575 HydrophobicContact CG1-CE2 3.99Å; V571-F575 VanDerWaalsContact O-CD2 3.31Å; V571-F575 WeakPolarHBondContact O-CD2 3.48Å; V571-F575 PolarHBondContact O-N 3.06Å; L573-F575 VanDerWaalsContact C-N 3.33Å; F575-R577 PolarHBondContact O-N 3.31Å
576P64Low78.2Confident69 Ų6978.7 Ų78.745%0.44841%0.406SS..  trans-60.3108.917824.4-33000109.1F160 L574 G578F160-P576 HydrophobicContact CB-CB 4.08Å; F160-P576 HydrophobicContact CB-CG 4.17Å; L574-P576 WeakPolarHBondContact O-CD 3.46Å; P576-G578 PolarHBondContact O-N 2.77Å
577R63.1Low78.1Confident194 Ų19478.8 Ų78.873%0.73241%0.406SS*.  trans-87.817.5173.4-83.4-163.8169.295.4-2.1112.8F575 R579F575-R577 PolarHBondContact O-N 3.31Å; R577-R579 PolarHBondContact O-N 2.62Å
578G55.3Low78.3Confident36 Ų3676.1 Ų76.137%0.37140%0.401SS..  trans-60102.4171.500000109.5N157 P576 S580N157-G578 VanDerWaalsContact ND2-CA 3.35Å; N157-G578 WeakPolarHBondContact ND2-CA 3.37Å; P576-G578 PolarHBondContact O-N 2.77Å; G578-S580 PolarHBondContact O-N 2.85Å
579R54.4Low78.4Confident194 Ų19476.4 Ų76.473%0.73240%0.397SS*.  trans-57.794.7154.3-178.2176.7179.8144.5-2104.5R577 H581 E585R577-R579 PolarHBondContact O-N 2.62Å; R579-H581 PolarHBondContact O-N 3.18Å; R579-E585 IonicContact CZ-OE1 2.77Å; R579-E585 IonicContact NE-OE1 3.52Å; R579-E585 IonicContact NH2-OE1 2.78Å; R579-E585 PolarHBondContact NH2-OE1 2.89Å; R579-E585 VanDerWaalsContact NH2-OE1 3.09Å
580S59.3Low78.5Confident58 Ų5876.8 Ų76.841%0.40640%0.395SS..  trans-57.4115.2166.6-175.60000104.1G578 T582G578-S580 PolarHBondContact O-N 2.85Å; S580-T582 PolarHBondContact O-N 3.32Å; S580-T582 VanDerWaalsContact O-N 3.15Å
581H67.5Low78.8Confident92 Ų9279.6 Ų79.643%0.42640%0.403SS..  trans-48.2129.9169.8-78.8-70.4000107R579 E585 I586R579-H581 PolarHBondContact O-N 3.18Å; H581-E585 VanDerWaalsContact CA-OE2 3.3Å; H581-E585 WeakPolarHBondContact CA-OE2 3.24Å; H581-E585 HydrophobicContact CB-CB 4.33Å; H581-E585 IonicContact CG-OE2 3.28Å; H581-E585 IonicContact ND1-OE2 2.71Å; H581-E585 PolarHBondContact ND1-OE2 2.8Å; H581-I586 HydrophobicContact CB-CD1 3.87Å; H581-I586 HydrophobicContact CB-CG1 3.54Å
582T80.9Confident79.2Confident72 Ų7281.6 Ų81.644%0.44241%0.407SS..  trans-63.2151.3177.565.30000107.7S580 N584 E585 I586S580-T582 PolarHBondContact O-N 3.32Å; S580-T582 VanDerWaalsContact O-N 3.15Å; T582-N584 PolarHBondContact O-N 2.88Å; T582-N584 VanDerWaalsContact O-N 3.08Å; T582-E585 PolarHBondContact N-OE2 3.4Å; T582-E585 WeakPolarHBondContact O-CB 3.46Å; T582-E585 PolarHBondContact O-N 3.39Å; T582-E585 WeakPolarHBondContact OG1-CG 3.31Å; T582-E585 PolarHBondContact OG1-N 3Å; T582-I586 PolarHBondContact O-N 3.15Å; T582-I586 VanDerWaalsContact O-N 3.17Å
583V83.9Confident79.6Confident44 Ų4479 Ų7927%0.26741%0.408SS..Hα-helixtrans-47.4-43.6178170.40000110.5A205 P207 F230 E585 I586 I587A205-V583 HydrophobicContact CB-CG2 3.77Å; P207-V583 HydrophobicContact CG-CG1 3.84Å; F230-V583 HydrophobicContact CD1-CG2 3.99Å; F230-V583 HydrophobicContact CD2-CG2 4.2Å; F230-V583 HydrophobicContact CE1-CB 4.21Å; F230-V583 HydrophobicContact CE1-CG1 4.49Å; F230-V583 HydrophobicContact CE1-CG2 3.82Å; F230-V583 HydrophobicContact CE2-CB 4.31Å; F230-V583 HydrophobicContact CE2-CG1 3.76Å; F230-V583 HydrophobicContact CE2-CG2 4.07Å; F230-V583 HydrophobicContact CG-CG2 4.17Å; F230-V583 HydrophobicContact CZ-CB 3.95Å; F230-V583 HydrophobicContact CZ-CG1 3.75Å; F230-V583 HydrophobicContact CZ-CG2 3.89Å; V583-E585 PolarHBondContact O-N 3.31Å; V583-I586 PolarHBondContact O-N 3Å; V583-I587 HydrophobicContact CG1-CD1 3.49Å; V583-I587 VanDerWaalsContact CG1-CD1 3.49Å; V583-I587 WeakPolarHBondContact O-CD1 3.29Å; V583-I587 VanDerWaalsContact O-CG1 3.24Å; V583-I587 WeakPolarHBondContact O-CG1 3.46Å; V583-I587 PolarHBondContact O-N 3.43Å
584N88Confident80.1Confident113 Ų11377.9 Ų77.960%0.60440%0.401SS*.Hα-helixtrans-63.5-38.9177.7-62-21.6000114T582 I587 A588T582-N584 PolarHBondContact O-N 2.88Å; T582-N584 VanDerWaalsContact O-N 3.08Å; N584-I587 PolarHBondContact O-N 3.45Å; N584-A588 VanDerWaalsContact O-CB 3.28Å; N584-A588 WeakPolarHBondContact O-CB 3.49Å; N584-A588 PolarHBondContact O-N 2.91Å
585E89.6Confident80.8Confident55 Ų5576.6 Ų76.626%0.25740%0.395SS..Hα-helixtrans-62.9-44.2176-76.1172.9-179.700110.6R579 H581 T582 V583 I587 A588 M589R579-E585 IonicContact CZ-OE1 2.77Å; R579-E585 IonicContact NE-OE1 3.52Å; R579-E585 IonicContact NH2-OE1 2.78Å; R579-E585 PolarHBondContact NH2-OE1 2.89Å; R579-E585 VanDerWaalsContact NH2-OE1 3.09Å; H581-E585 VanDerWaalsContact CA-OE2 3.3Å; H581-E585 WeakPolarHBondContact CA-OE2 3.24Å; H581-E585 HydrophobicContact CB-CB 4.33Å; H581-E585 IonicContact CG-OE2 3.28Å; H581-E585 IonicContact ND1-OE2 2.71Å; H581-E585 PolarHBondContact ND1-OE2 2.8Å; T582-E585 PolarHBondContact N-OE2 3.4Å; T582-E585 WeakPolarHBondContact O-CB 3.46Å; T582-E585 PolarHBondContact O-N 3.39Å; T582-E585 WeakPolarHBondContact OG1-CG 3.31Å; T582-E585 PolarHBondContact OG1-N 3Å; V583-E585 PolarHBondContact O-N 3.31Å; E585-I587 PolarHBondContact O-N 3.2Å; E585-A588 PolarHBondContact O-N 3.14Å; E585-M589 WeakPolarHBondContact O-CG 3.25Å; E585-M589 PolarHBondContact O-N 3.36Å
586I87.4Confident81.7Confident10 Ų1075.3 Ų75.35%0.05139%0.392CS..Hα-helixtrans-65.7-41.7179.3-56.8-160.1000111.2H164 F230 H581 T582 V583 M589 H590H164-I586 HydrophobicContact CB-CD1 3.79Å; H164-I586 VanDerWaalsContact CG-CD1 3.41Å; F230-I586 HydrophobicContact CD1-CD1 4.44Å; F230-I586 HydrophobicContact CE1-CB 4.2Å; F230-I586 HydrophobicContact CE1-CD1 3.61Å; F230-I586 HydrophobicContact CE1-CG1 4.11Å; F230-I586 HydrophobicContact CZ-CB 4.13Å; F230-I586 HydrophobicContact CZ-CD1 4.35Å; F230-I586 HydrophobicContact CZ-CG2 4.38Å; H581-I586 HydrophobicContact CB-CD1 3.87Å; H581-I586 HydrophobicContact CB-CG1 3.54Å; T582-I586 PolarHBondContact O-N 3.15Å; T582-I586 VanDerWaalsContact O-N 3.17Å; V583-I586 PolarHBondContact O-N 3Å; I586-M589 PolarHBondContact O-N 2.78Å; I586-H590 PolarHBondContact O-N 3.46Å; I586-H590 PolarHBondContact O-ND1 3.28Å
587I88.8Confident83.1Confident14 Ų1476.6 Ų76.67%0.07239%0.388CS..Hα-helixtrans-64.5-42.5177.4-65.2154.3000110.5P207 Y209 V583 N584 E585 M589 H590 Q591P207-I587 HydrophobicContact CG-CD1 4.15Å; Y209-I587 HydrophobicContact CD1-CG2 4.23Å; Y209-I587 HydrophobicContact CD2-CD1 4.2Å; Y209-I587 HydrophobicContact CD2-CG1 4.18Å; Y209-I587 HydrophobicContact CD2-CG2 3.96Å; Y209-I587 HydrophobicContact CE1-CG2 4.05Å; Y209-I587 HydrophobicContact CE2-CB 4.39Å; Y209-I587 HydrophobicContact CE2-CD1 3.26Å; Y209-I587 HydrophobicContact CE2-CG1 3.71Å; Y209-I587 HydrophobicContact CE2-CG2 3.79Å; Y209-I587 HydrophobicContact CG-CG2 4.19Å; Y209-I587 WeakPolarHBondContact OH-CD1 3.31Å; V583-I587 HydrophobicContact CG1-CD1 3.49Å; V583-I587 VanDerWaalsContact CG1-CD1 3.49Å; V583-I587 WeakPolarHBondContact O-CD1 3.29Å; V583-I587 VanDerWaalsContact O-CG1 3.24Å; V583-I587 WeakPolarHBondContact O-CG1 3.46Å; V583-I587 PolarHBondContact O-N 3.43Å; N584-I587 PolarHBondContact O-N 3.45Å; E585-I587 PolarHBondContact O-N 3.2Å; I587-M589 VanDerWaalsContact C-N 3.35Å; I587-M589 PolarHBondContact O-N 2.87Å; I587-H590 PolarHBondContact O-N 2.99Å; I587-H590 VanDerWaalsContact O-N 3.16Å; I587-Q591 PolarHBondContact O-N 3.4Å
588A92.2Very high84.5Confident57 Ų5768.7 Ų68.747%0.47136%0.36SS..Hα-helixtrans-61.5-42176.700000112N584 E585 H590 Q591 E592N584-A588 VanDerWaalsContact O-CB 3.28Å; N584-A588 WeakPolarHBondContact O-CB 3.49Å; N584-A588 PolarHBondContact O-N 2.91Å; E585-A588 PolarHBondContact O-N 3.14Å; A588-H590 VanDerWaalsContact C-N 3.31Å; A588-H590 PolarHBondContact O-N 3.3Å; A588-Q591 PolarHBondContact O-N 3.5Å; A588-E592 PolarHBondContact O-N 3.16Å
589M90.6Very high86.3Confident110 Ų11072.6 Ų72.654%0.54237%0.369SS..Hα-helixtrans-61.3-38.7173.9-70.8175.363.500112.4E585 I586 I587 A593E585-M589 WeakPolarHBondContact O-CG 3.25Å; E585-M589 PolarHBondContact O-N 3.36Å; I586-M589 PolarHBondContact O-N 2.78Å; I587-M589 VanDerWaalsContact C-N 3.35Å; I587-M589 PolarHBondContact O-N 2.87Å; M589-A593 PolarHBondContact O-N 3.36Å; M589-A593 VanDerWaalsContact O-N 3.11Å
590H91.5Very high88.1Confident28 Ų2866.1 Ų66.113%0.1336%0.357CS..Hα-helixtrans-66.3-45.4174.8-78.674.7000111.2F166 F211 F228 I586 I587 A588 E592 A593 Y594F166-H590 AromaticContact CD1-NE2 3.34Å; F166-H590 VanDerWaalsContact CD1-NE2 3.34Å; F166-H590 WeakPolarHBondContact CD1-NE2 3.43Å; F166-H590 AromaticContact CE1-NE2 3.41Å; F166-H590 WeakPolarHBondContact CE1-NE2 3.3Å; F211-H590 HydrophobicContact CZ-CB 4.44Å; F228-H590 HydrophobicContact CE1-CB 4.47Å; F228-H590 AromaticContact CE1-CD2 3.71Å; F228-H590 AromaticContact CE1-CE1 3.75Å; F228-H590 AromaticContact CE1-CG 3.72Å; F228-H590 AromaticContact CE1-ND1 3.74Å; F228-H590 AromaticContact CE1-NE2 3.73Å; F228-H590 HydrophobicContact CZ-CB 4.05Å; F228-H590 AromaticContact CZ-CD2 3.9Å; F228-H590 AromaticContact CZ-CG 3.77Å; I586-H590 PolarHBondContact O-N 3.46Å; I586-H590 PolarHBondContact O-ND1 3.28Å; I587-H590 PolarHBondContact O-N 2.99Å; I587-H590 VanDerWaalsContact O-N 3.16Å; A588-H590 VanDerWaalsContact C-N 3.31Å; A588-H590 PolarHBondContact O-N 3.3Å; H590-E592 VanDerWaalsContact C-N 3.33Å; H590-E592 PolarHBondContact O-N 2.91Å; H590-A593 WeakPolarHBondContact O-CB 3.42Å; H590-A593 PolarHBondContact O-N 3.02Å; H590-A593 VanDerWaalsContact O-N 3.13Å; H590-Y594 WeakPolarHBondContact O-CD2 3.4Å; H590-Y594 PolarHBondContact O-N 3.43Å; H590-Y594 VanDerWaalsContact O-N 3.08Å
591Q92.5Very high89.6Confident77 Ų7763.9 Ų63.936%0.3634%0.34SS..Hα-helixtrans-56.3-47.1175.8-178.963.545.200111.4F211 I587 A588 A593 Y594 D595F211-Q591 HydrophobicContact CE1-CB 4.18Å; I587-Q591 PolarHBondContact O-N 3.4Å; A588-Q591 PolarHBondContact O-N 3.5Å; Q591-A593 VanDerWaalsContact C-N 3.27Å; Q591-A593 PolarHBondContact O-N 2.87Å; Q591-Y594 WeakPolarHBondContact O-CB 3.37Å; Q591-Y594 PolarHBondContact O-N 3.14Å; Q591-Y594 VanDerWaalsContact O-N 3.08Å; Q591-D595 PolarHBondContact NE2-OD1 2.96Å; Q591-D595 PolarHBondContact O-N 3.14Å
592E94.4Very high90.6Very high116 Ų11661.5 Ų61.554%0.54234%0.337SS..Hα-helixtrans-59.6-38.4177.5-168.6-178.7-176.700111.8A588 H590 D595 M596A588-E592 PolarHBondContact O-N 3.16Å; H590-E592 VanDerWaalsContact C-N 3.33Å; H590-E592 PolarHBondContact O-N 2.91Å; E592-D595 PolarHBondContact O-N 2.97Å; E592-M596 HydrophobicContact CG-CE 4.2Å; E592-M596 WeakPolarHBondContact O-CB 3.49Å; E592-M596 WeakPolarHBondContact O-CG 3.49Å; E592-M596 PolarHBondContact O-N 2.98Å
593A93.1Very high91.1Very high51 Ų5164.3 Ų64.342%0.42134%0.343SS..Hα-helixtrans-64.5-38.117500000113M589 H590 Q591 R597M589-A593 PolarHBondContact O-N 3.36Å; M589-A593 VanDerWaalsContact O-N 3.11Å; H590-A593 WeakPolarHBondContact O-CB 3.42Å; H590-A593 PolarHBondContact O-N 3.02Å; H590-A593 VanDerWaalsContact O-N 3.13Å; Q591-A593 VanDerWaalsContact C-N 3.27Å; Q591-A593 PolarHBondContact O-N 2.87Å; A593-R597 WeakPolarHBondContact O-CB 3.24Å; A593-R597 PolarHBondContact O-N 2.84Å; A593-R597 VanDerWaalsContact O-N 3.11Å
594Y92.3Very high91.3Very high13 Ų1368.6 Ų68.65%0.05136%0.36CS..Hα-helixtrans-65.1-44.6172.1-86.1-98.1000111.3K168 F211 M213 D224 H590 Q591 M596 R597 N598K168-Y594 WeakPolarHBondContact CD-OH 3.38Å; K168-Y594 WeakPolarHBondContact CE-OH 3.39Å; K168-Y594 PolarHBondContact NZ-OH 3.2Å; F211-Y594 HydrophobicContact CB-CD1 3.81Å; F211-Y594 HydrophobicContact CB-CD2 4.32Å; F211-Y594 HydrophobicContact CB-CE1 3.62Å; F211-Y594 HydrophobicContact CB-CE2 4.19Å; F211-Y594 HydrophobicContact CB-CG 4.17Å; F211-Y594 HydrophobicContact CD1-CD2 4.05Å; F211-Y594 HydrophobicContact CD1-CE2 4.35Å; F211-Y594 HydrophobicContact CD1-CG 4.28Å; F211-Y594 HydrophobicContact CD2-CE2 4.05Å; F211-Y594 HydrophobicContact CG-CD1 4.43Å; F211-Y594 HydrophobicContact CG-CD2 4.07Å; F211-Y594 HydrophobicContact CG-CE1 4.29Å; F211-Y594 AromaticContact CG-CE2 3.95Å; F211-Y594 HydrophobicContact CG-CE2 3.95Å; F211-Y594 HydrophobicContact CG-CG 4.33Å; M213-Y594 HydrophobicContact CB-CD1 4.22Å; M213-Y594 HydrophobicContact CB-CE1 4.09Å; D224-Y594 VanDerWaalsContact OD2-CE1 3.22Å; D224-Y594 WeakPolarHBondContact OD2-CE1 3.07Å; D224-Y594 VanDerWaalsContact OD2-CZ 3.23Å; D224-Y594 PolarHBondContact OD2-OH 3.14Å; H590-Y594 WeakPolarHBondContact O-CD2 3.4Å; H590-Y594 PolarHBondContact O-N 3.43Å; H590-Y594 VanDerWaalsContact O-N 3.08Å; Q591-Y594 WeakPolarHBondContact O-CB 3.37Å; Q591-Y594 PolarHBondContact O-N 3.14Å; Q591-Y594 VanDerWaalsContact O-N 3.08Å; Y594-M596 PolarHBondContact O-N 3.23Å; Y594-R597 PolarHBondContact O-N 3.4Å; Y594-N598 WeakPolarHBondContact O-CB 3.38Å; Y594-N598 VanDerWaalsContact O-CG 3.22Å; Y594-N598 PolarHBondContact O-N 3.36Å
595D93.4Very high91.3Very high70 Ų7064.3 Ų64.337%0.37434%0.338SS..Hα-helixtrans-63-44.5-179.3-65.6-20.8000111.3Q591 E592 R597 N598 Q599Q591-D595 PolarHBondContact NE2-OD1 2.96Å; Q591-D595 PolarHBondContact O-N 3.14Å; E592-D595 PolarHBondContact O-N 2.97Å; D595-R597 PolarHBondContact O-N 2.66Å; D595-N598 PolarHBondContact O-N 3.17Å; D595-Q599 WeakPolarHBondContact O-CB 3.37Å; D595-Q599 VanDerWaalsContact O-CG 3.25Å; D595-Q599 WeakPolarHBondContact O-CG 3.36Å; D595-Q599 PolarHBondContact O-N 3Å
596M94.6Very high91.2Very high108 Ų10868.4 Ų68.453%0.53236%0.359SS..Hα-helixtrans-60.8-43.9174.9-74.9-170.7-71.100112.2E592 Y594 Q599 A600E592-M596 HydrophobicContact CG-CE 4.2Å; E592-M596 WeakPolarHBondContact O-CB 3.49Å; E592-M596 WeakPolarHBondContact O-CG 3.49Å; E592-M596 PolarHBondContact O-N 2.98Å; Y594-M596 PolarHBondContact O-N 3.23Å; M596-Q599 PolarHBondContact O-N 2.83Å; M596-A600 PolarHBondContact O-N 2.81Å
597R92.7Very high91Very high96 Ų9673.8 Ų73.836%0.36239%0.386SS..Hα-helixtrans-63.2-48.6176.6-179.5-178.5173.3-135.1-6.7111M213 A593 Y594 D595 Q599 A600 V601M213-R597 PolarHBondContact SD-NH1 3.37Å; A593-R597 WeakPolarHBondContact O-CB 3.24Å; A593-R597 PolarHBondContact O-N 2.84Å; A593-R597 VanDerWaalsContact O-N 3.11Å; Y594-R597 PolarHBondContact O-N 3.4Å; D595-R597 PolarHBondContact O-N 2.66Å; R597-Q599 VanDerWaalsContact C-N 3.29Å; R597-Q599 PolarHBondContact O-N 3.21Å; R597-A600 WeakPolarHBondContact O-CB 3.41Å; R597-A600 PolarHBondContact O-N 3.48Å; R597-A600 VanDerWaalsContact O-N 3.08Å; R597-V601 HydrophobicContact CG-CG2 4.46Å; R597-V601 WeakPolarHBondContact O-CG2 3.2Å; R597-V601 PolarHBondContact O-N 2.68Å
598N92.9Very high90.4Very high29 Ų2975 Ų7516%0.15540%0.401CS..Hα-helixtrans-60.6-40.5180-72.7-13.2000110.9V212 L214 Y594 D595 A600 V601 A602V212-N598 PolarHBondContact O-ND2 3.35Å; L214-N598 HydrophobicContact CD1-CB 3.96Å; L214-N598 WeakPolarHBondContact CD1-O 3.27Å; L214-N598 HydrophobicContact CG-CB 4.07Å; L214-N598 PolarHBondContact N-OD1 3.43Å; Y594-N598 WeakPolarHBondContact O-CB 3.38Å; Y594-N598 VanDerWaalsContact O-CG 3.22Å; Y594-N598 PolarHBondContact O-N 3.36Å; D595-N598 PolarHBondContact O-N 3.17Å; N598-A600 PolarHBondContact O-N 3.5Å; N598-V601 PolarHBondContact O-N 3.41Å; N598-A602 VanDerWaalsContact O-CB 3.29Å; N598-A602 WeakPolarHBondContact O-CB 3.34Å; N598-A602 PolarHBondContact O-N 3.36Å
599Q92.1Very high89Confident118 Ų11880.2 Ų80.255%0.55141%0.41SS*.Hα-helixtrans-62.5-39.7173.2-74.3177.512.300112.9D595 M596 R597 K603D595-Q599 WeakPolarHBondContact O-CB 3.37Å; D595-Q599 VanDerWaalsContact O-CG 3.25Å; D595-Q599 WeakPolarHBondContact O-CG 3.36Å; D595-Q599 PolarHBondContact O-N 3Å; M596-Q599 PolarHBondContact O-N 2.83Å; R597-Q599 VanDerWaalsContact C-N 3.29Å; R597-Q599 PolarHBondContact O-N 3.21Å; Q599-K603 VanDerWaalsContact O-CG 3.31Å; Q599-K603 WeakPolarHBondContact O-CG 2.9Å; Q599-K603 PolarHBondContact O-N 3.03Å
600A92Very high87.6Confident57 Ų5779 Ų7947%0.47141%0.412SS..Hα-helixtrans-65.1-46.5177.700000111.8M596 R597 N598 K603 Q604M596-A600 PolarHBondContact O-N 2.81Å; R597-A600 WeakPolarHBondContact O-CB 3.41Å; R597-A600 PolarHBondContact O-N 3.48Å; R597-A600 VanDerWaalsContact O-N 3.08Å; N598-A600 PolarHBondContact O-N 3.5Å; A600-K603 PolarHBondContact O-N 3.4Å; A600-Q604 PolarHBondContact O-N 3.29Å
601V90.7Very high86.2Confident11 Ų1186.4 Ų86.47%0.06744%0.444CS..Hα-helixtrans-62-45.6176.5174.30000110.7L214 S215 R597 N598 K603 Q604 C605L214-V601 HydrophobicContact CB-CB 4.26Å; L214-V601 HydrophobicContact CB-CG1 3.91Å; S215-V601 VanDerWaalsContact O-CG1 3.24Å; S215-V601 WeakPolarHBondContact O-CG1 3.47Å; R597-V601 HydrophobicContact CG-CG2 4.46Å; R597-V601 WeakPolarHBondContact O-CG2 3.2Å; R597-V601 PolarHBondContact O-N 2.68Å; N598-V601 PolarHBondContact O-N 3.41Å; V601-K603 VanDerWaalsContact C-N 3.33Å; V601-K603 PolarHBondContact O-N 2.03Å; V601-Q604 WeakPolarHBondContact O-CB 2.97Å; V601-Q604 PolarHBondContact O-N 3.33Å; V601-Q604 VanDerWaalsContact O-N 3.14Å; V601-C605 PolarHBondContact O-N 3.48Å; V601-C605 VanDerWaalsContact O-SG 3.4Å; V601-C605 PolarHBondContact O-SG 2.91Å
602A89.5Confident84.6Confident42 Ų4288.5 Ų88.535%0.34746%0.462SS..Hα-helixtrans-58.6-43.1176.900000112.2L214 N598 C605 M606L214-A602 HydrophobicContact CD1-CB 4.33Å; N598-A602 VanDerWaalsContact O-CB 3.29Å; N598-A602 WeakPolarHBondContact O-CB 3.34Å; N598-A602 PolarHBondContact O-N 3.36Å; A602-C605 WeakPolarHBondContact O-CB 3.47Å; A602-C605 PolarHBondContact O-N 3.47Å; A602-M606 WeakPolarHBondContact O-CG 3.48Å; A602-M606 PolarHBondContact O-N 3.49Å
603K90.4Very high82.5Confident132 Ų13291.2 Ų91.257%0.57448%0.479SS*.Hα-helixtrans-62.6-42.4174.9-75.5173.9-177.8175.80112.3Q599 A600 V601 C605 M606 M607Q599-K603 VanDerWaalsContact O-CG 3.31Å; Q599-K603 WeakPolarHBondContact O-CG 2.9Å; Q599-K603 PolarHBondContact O-N 3.03Å; A600-K603 PolarHBondContact O-N 3.4Å; V601-K603 VanDerWaalsContact C-N 3.33Å; V601-K603 PolarHBondContact O-N 2.03Å; K603-C605 VanDerWaalsContact C-N 3.31Å; K603-C605 PolarHBondContact O-N 3.44Å; K603-M606 PolarHBondContact O-N 3.5Å; K603-M607 HydrophobicContact CB-CE 4.22Å; K603-M607 WeakPolarHBondContact O-CG 3.32Å; K603-M607 PolarHBondContact O-N 3.45Å
604Q89.2Confident81.9Confident134 Ų13493.3 Ų93.363%0.62648%0.482SS*.Hα-helixtrans-61.8-41.7176.9-177.1171.8-11.300111.4A600 V601 M607 G608A600-Q604 PolarHBondContact O-N 3.29Å; V601-Q604 WeakPolarHBondContact O-CB 2.97Å; V601-Q604 PolarHBondContact O-N 3.33Å; V601-Q604 VanDerWaalsContact O-N 3.14Å; Q604-M607 PolarHBondContact O-N 3.33Å; Q604-G608 PolarHBondContact O-N 2.99Å
605C88.1Confident81.4Confident22 Ų2297.5 Ų97.515%0.14950%0.504CS..Hα-helixtrans-61.6-44.3175.1-74.80000113C218 V601 A602 K603 G608 Y609C218-C605 WeakPolarHBondContact CA-SG 3.09Å; C218-C605 HydrophobicContact CB-CB 3.71Å; C218-C605 WeakPolarHBondContact CB-SG 3.36Å; C218-C605 WeakPolarHBondContact SG-CA 3.34Å; C218-C605 WeakPolarHBondContact SG-CB 3.41Å; C218-C605 CovalentContact SG-SG 2.03Å; C218-C605 PolarHBondContact SG-SG 3.2Å; V601-C605 PolarHBondContact O-N 3.48Å; V601-C605 VanDerWaalsContact O-SG 3.4Å; V601-C605 PolarHBondContact O-SG 2.91Å; A602-C605 WeakPolarHBondContact O-CB 3.47Å; A602-C605 PolarHBondContact O-N 3.47Å; K603-C605 VanDerWaalsContact C-N 3.31Å; K603-C605 PolarHBondContact O-N 3.44Å; C605-G608 PolarHBondContact O-N 3.02Å; C605-Y609 PolarHBondContact O-N 3.47Å
606M86.1Confident80.7Confident142 Ų14299 Ų9970%0.751%0.512SS*.Hα-helixtrans-64.4-40.9176.7-67-60.6-67.600112.3A602 K603 Y609 S610A602-M606 WeakPolarHBondContact O-CG 3.48Å; A602-M606 PolarHBondContact O-N 3.49Å; K603-M606 PolarHBondContact O-N 3.5Å; M606-Y609 PolarHBondContact O-N 3.26Å; M606-S610 PolarHBondContact O-N 3.12Å; M606-S610 VanDerWaalsContact O-N 3.12Å
607M83.3Confident79.9Confident123 Ų12398.5 Ų98.561%0.60651%0.51SS*.Hα-helixtrans-67.8-37.2176.6-75.2-172.3-88.900112.7K603 Q604 S610 K611K603-M607 HydrophobicContact CB-CE 4.22Å; K603-M607 WeakPolarHBondContact O-CG 3.32Å; K603-M607 PolarHBondContact O-N 3.45Å; Q604-M607 PolarHBondContact O-N 3.33Å; M607-S610 PolarHBondContact O-N 3Å; M607-K611 PolarHBondContact O-N 3.34Å
608G76.4Confident79.1Confident38 Ų3898.6 Ų98.639%0.39252%0.52SS..Hα-helixtrans-62.6-46.417400000111.5Q604 C605 S610 K611 T612Q604-G608 PolarHBondContact O-N 2.99Å; C605-G608 PolarHBondContact O-N 3.02Å; G608-S610 VanDerWaalsContact C-N 3.28Å; G608-S610 PolarHBondContact O-N 3.34Å; G608-K611 PolarHBondContact O-N 3.05Å; G608-T612 VanDerWaalsContact O-OG1 3.05Å; G608-T612 PolarHBondContact O-OG1 3.34Å; G608-T612 PolarHBondContact O-N 3.37Å
609Y63.4Low78.2Confident167 Ų167103.3 Ų103.366%0.65554%0.544SS*.Hα-helixtrans-59.6-40.5178.3-141.6-95.1000112C605 M606 K611 T612 I613C605-Y609 PolarHBondContact O-N 3.47Å; M606-Y609 PolarHBondContact O-N 3.26Å; Y609-K611 PolarHBondContact O-N 3Å; Y609-T612 WeakPolarHBondContact CA-OG1 3.47Å; Y609-T612 PolarHBondContact O-N 3.25Å; Y609-T612 PolarHBondContact O-OG1 3.3Å; Y609-I613 HydrophobicContact CD1-CD1 3.82Å; Y609-I613 HydrophobicContact CD1-CG1 4.38Å; Y609-I613 HydrophobicContact CE1-CD1 4.07Å; Y609-I613 PolarHBondContact O-N 3.23Å
610S62Low77.2Confident85 Ų85102.2 Ų102.259%0.59454%0.543SS*.Hα-helixtrans-69.5-13.7176.8-171.40000114.7M606 M607 G608M606-S610 PolarHBondContact O-N 3.12Å; M606-S610 VanDerWaalsContact O-N 3.12Å; M607-S610 PolarHBondContact O-N 3Å; G608-S610 VanDerWaalsContact C-N 3.28Å; G608-S610 PolarHBondContact O-N 3.34Å
611K61.3Low76Confident184 Ų184105.7 Ų105.780%0.855%0.549SS*.Hα-helixtrans-92.9-19.2173.7-75.5-175.6178.6-178.10113.1M607 G608 Y609M607-K611 PolarHBondContact O-N 3.34Å; G608-K611 PolarHBondContact O-N 3.05Å; Y609-K611 PolarHBondContact O-N 3Å
612T58.7Low74.8Confident120 Ų120113.6 Ų113.674%0.73659%0.589SS**Hα-helixtrans-92.6-18.1177.926.80000113.8G608 Y609G608-T612 VanDerWaalsContact O-OG1 3.05Å; G608-T612 PolarHBondContact O-OG1 3.34Å; G608-T612 PolarHBondContact O-N 3.37Å; Y609-T612 WeakPolarHBondContact CA-OG1 3.47Å; Y609-T612 PolarHBondContact O-N 3.25Å; Y609-T612 PolarHBondContact O-OG1 3.3Å
613I49.3Very low73.5Confident174 Ų174120.1 Ų120.189%0.89261%0.611SS**  trans-85.30163.3-57.6170.6000107.4Y609Y609-I613 HydrophobicContact CD1-CD1 3.82Å; Y609-I613 HydrophobicContact CD1-CG1 4.38Å; Y609-I613 HydrophobicContact CE1-CD1 4.07Å; Y609-I613 PolarHBondContact O-N 3.23Å

Retrieved 613 of 613 residues in 165.9 ms (Link to these results)

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