A0A077Z3S4_TRITR Loading...

Putative paired box protein Pax-2

AlphaFold DB , UniProt , Accession A0A077Z3S4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 539 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M45.5Very low56.7Low256 Ų256128.6 Ų128.6100%1.26171%0.712SS**  012.80-90.8173.2171.200114.2
2A49.4Very low57.5Low95 Ų95126.9 Ų126.979%0.78570%0.7SS**  trans-120.1-0.8179.900000115.7
3D54.5Low57.9Low145 Ų145126.4 Ų126.478%0.77569%0.689SS**SBendtrans-111.90.5-166.6-144.27.3000115.6
4K54.1Low58.7Low201 Ų201124.9 Ų124.987%0.87469%0.685SS**SBendtrans-96.70.9177.8-75.2-177.3176.7177.30114.3
5G50.2Low58.7Low44 Ų44124.4 Ų124.445%0.45468%0.681SS.*SBendtrans-80.7-27.2-175.700000115.2
6N57.7Low58.7Low117 Ų117120.9 Ų120.963%0.62667%0.674SS**Hα-helixtrans-81.7-24.5-170-68.6-29000114.1
7G64.3Low58.3Low52 Ų52127.8 Ų127.854%0.53669%0.687SS.*Hα-helixtrans-73.4-32179.200000114M11G7-M11 PolarHBondContact O-N 2.92Å
8L61.4Low58.4Low120 Ų120133.2 Ų133.263%0.62870%0.696SS**Hα-helixtrans-76.1-32.1-178.5-123.6144.7000111.8M11 L12L8-M11 PolarHBondContact O-N 3.24Å; L8-L12 HydrophobicContact CD2-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.15Å
9L59.3Low58.5Low105 Ų105130.7 Ų130.755%0.5569%0.687SS.*Hα-helixtrans-68.6-37175-110.4141000112.5L12 Q13L9-L12 PolarHBondContact O-N 3.16Å; L9-Q13 PolarHBondContact O-N 3.48Å
10Q60.8Low58Low138 Ų138132.5 Ų132.565%0.64570%0.697SS**Hα-helixtrans-70.1-37.1173.2-77.6-149.535.200112.9Q13 V14Q10-Q13 PolarHBondContact O-N 3.36Å; Q10-V14 WeakPolarHBondContact O-CG2 3.48Å; Q10-V14 PolarHBondContact O-N 3.28Å; Q10-V14 VanDerWaalsContact O-N 3.1Å
11M66.6Low57.9Low142 Ų142131.7 Ų131.770%0.769%0.692SS**Hα-helixtrans-66.5-37.1174.2-83.5-163.1137.500112.6G7 L8 V14 L15G7-M11 PolarHBondContact O-N 2.92Å; L8-M11 PolarHBondContact O-N 3.24Å; M11-V14 PolarHBondContact O-N 3.05Å; M11-L15 PolarHBondContact O-N 3.01Å; M11-L15 VanDerWaalsContact O-N 3.1Å
12L66.1Low58.3Low108 Ų108124.5 Ų124.557%0.56566%0.664SS**Hα-helixtrans-68.3-35.5175.2-91.2151000112.6L8 L9 L15 A16L8-L12 HydrophobicContact CD2-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.16Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.26Å
13Q63.3Low58Low120 Ų120125.1 Ų125.156%0.56167%0.67SS**Hα-helixtrans-70.1-34.8175-83.1169.5-26.300113.2L9 Q10 A16 W17L9-Q13 PolarHBondContact O-N 3.48Å; Q10-Q13 PolarHBondContact O-N 3.36Å; Q13-A16 PolarHBondContact O-N 3.39Å; Q13-W17 PolarHBondContact O-N 2.93Å
14V68.2Low57.8Low105 Ų105123.1 Ų123.164%0.63666%0.658SS**Hα-helixtrans-71-33174.5174.40000111.8Q10 M11Q10-V14 WeakPolarHBondContact O-CG2 3.48Å; Q10-V14 PolarHBondContact O-N 3.28Å; Q10-V14 VanDerWaalsContact O-N 3.1Å; M11-V14 PolarHBondContact O-N 3.05Å
15L59.8Low57.7Low118 Ų118119 Ų11962%0.61865%0.65SS**Hα-helixtrans-72.4-39.6173.1-84.5155.9000112.1M11 L12 W17 R18M11-L15 PolarHBondContact O-N 3.01Å; M11-L15 VanDerWaalsContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.33Å; L15-W17 VanDerWaalsContact C-N 3.32Å; L15-W17 PolarHBondContact O-N 3.49Å; L15-R18 PolarHBondContact O-N 3.04Å
16A57.4Low57.6Low69 Ų69127.7 Ų127.757%0.5767%0.669SS**Hα-helixtrans-66.3-31.4178.600000113.2L12 Q13 R18L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.26Å; Q13-A16 PolarHBondContact O-N 3.39Å; A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 3.34Å
17W52Low57.3Low237 Ų237130.4 Ų130.490%0.89868%0.678SS**THydrogen-bonded Turntrans-71.7-17.6175.2-105.472.6000114.3Q13 L15Q13-W17 PolarHBondContact O-N 2.93Å; L15-W17 VanDerWaalsContact C-N 3.32Å; L15-W17 PolarHBondContact O-N 3.49Å
18R60.9Low56.8Low226 Ų226131.1 Ų131.185%0.85367%0.672SS**THydrogen-bonded Turntrans-95.8-7.8-176.4-155.1155.2-178.7108.8-2.9113.6L15 A16L15-R18 PolarHBondContact O-N 3.04Å; A16-R18 VanDerWaalsContact C-N 3.27Å; A16-R18 PolarHBondContact O-N 3.34Å
19V59.3Low56.3Low86 Ų86130.9 Ų130.952%0.52167%0.668SS.*SBendtrans-121.590.2179.3-154.50000107.7I21V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 HydrophobicContact CB-CD1 4.37Å; V19-I21 HydrophobicContact CB-CG1 4.34Å; V19-I21 HydrophobicContact CG1-CD1 3.63Å; V19-I21 HydrophobicContact CG1-CG1 3.7Å; V19-I21 PolarHBondContact O-N 3.27Å
20N50Low56Low165 Ų165129 Ų12988%0.88267%0.667SS**  trans-65.381.6176.9-175.423.3000110.2
21I54.9Low56Low116 Ų116131.5 Ų131.560%0.59567%0.671SS**  trans-107.5116.9178-58.9-178.9000108.2V19 I24V19-I21 VanDerWaalsContact C-N 3.26Å; V19-I21 HydrophobicContact CB-CD1 4.37Å; V19-I21 HydrophobicContact CB-CG1 4.34Å; V19-I21 HydrophobicContact CG1-CD1 3.63Å; V19-I21 HydrophobicContact CG1-CG1 3.7Å; V19-I21 PolarHBondContact O-N 3.27Å; I21-I24 HydrophobicContact CG2-CD1 4.45Å
22P53.6Low55.5Low105 Ų105133.3 Ų133.368%0.68267%0.67SS**  trans-68.8142.7174.528-31.2000110.6I24P22-I24 PolarHBondContact O-N 3.24Å
23A44Very low55.3Low109 Ų109133.7 Ų133.790%0.90167%0.672SS**  trans-39.6113-173.400000114.6
24I49.3Very low54.8Low103 Ų103130.7 Ų130.753%0.52866%0.664SS.*  trans-103.3125.1168.2-69.2171.8000107.5I21 P22 T28I21-I24 HydrophobicContact CG2-CD1 4.45Å; P22-I24 PolarHBondContact O-N 3.24Å; I24-T28 HydrophobicContact CG2-CG2 4.36Å; I24-T28 WeakPolarHBondContact CG2-OG1 3.47Å
25T52.1Low54.6Low113 Ų113129.8 Ų129.869%0.69365%0.652SS**  trans-48.7140.3-178.25.10000113.2Q27 T28T25-Q27 PolarHBondContact O-N 3.08Å; T25-T28 PolarHBondContact O-N 2.95Å; T25-T28 PolarHBondContact O-OG1 2.91Å
26R49.5Very low54.5Low228 Ų228127.5 Ų127.586%0.8664%0.641SS**Hα-helixtrans-50-17.4-176.9-76.2-173.3173.3-171.6-1.2116.2
27Q50.9Low54.5Low173 Ų173128 Ų12881%0.80864%0.637SS**Hα-helixtrans-72.2-32.2177.3-142.297.11600112.8T25T25-Q27 PolarHBondContact O-N 3.08Å
28T53.6Low54.8Low68 Ų68122.2 Ų122.242%0.41762%0.618SS.*Hα-helixtrans-83.1-25.6-174.10.90000112.8I24 T25 W32I24-T28 HydrophobicContact CG2-CG2 4.36Å; I24-T28 WeakPolarHBondContact CG2-OG1 3.47Å; T25-T28 PolarHBondContact O-N 2.95Å; T25-T28 PolarHBondContact O-OG1 2.91Å; T28-W32 PolarHBondContact O-N 3.45Å
29E50.5Low54.5Low115 Ų115118.3 Ų118.354%0.53761%0.609SS.*Hα-helixtrans-70.8-34.2176.4-64.6-169.6141.900112.4L33E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 WeakPolarHBondContact O-CG 3.23Å; E29-L33 PolarHBondContact O-N 3.46Å
30A53.3Low54.4Low65 Ų65123 Ų12354%0.53762%0.617SS.*Hα-helixtrans-69.4-34.7177.700000112.6C34A30-C34 WeakPolarHBondContact O-CB 3.14Å; A30-C34 PolarHBondContact O-N 3.08Å
31W60.1Low54.8Low190 Ų190119.4 Ų119.472%0.7260%0.601SS**Hα-helixtrans-73.2-41.5177.8-139.880.8000111.3C34 E35W31-C34 PolarHBondContact O-N 3.12Å; W31-E35 PolarHBondContact O-N 3.11Å
32W57Low54.8Low181 Ų181116.5 Ų116.569%0.68659%0.591SS**Hα-helixtrans-67.2-40.7175.9-116.881000112.8T28 E35 L36T28-W32 PolarHBondContact O-N 3.45Å; W32-E35 PolarHBondContact O-N 2.5Å; W32-L36 HydrophobicContact CD2-CD1 4.22Å; W32-L36 HydrophobicContact CE3-CD1 3.32Å; W32-L36 HydrophobicContact CE3-CD2 4.3Å; W32-L36 HydrophobicContact CE3-CG 4.42Å; W32-L36 HydrophobicContact CH2-CD1 4.19Å; W32-L36 HydrophobicContact CZ3-CD1 3.31Å; W32-L36 HydrophobicContact CZ3-CD2 4.2Å; W32-L36 HydrophobicContact CZ3-CG 4.39Å; W32-L36 WeakPolarHBondContact O-CB 3.49Å; W32-L36 PolarHBondContact O-N 2.92Å
33L60.6Low54.8Low116 Ų116116.6 Ų116.661%0.60759%0.586SS**Hα-helixtrans-69.4-34.3175.5-75.7167.1000112.5E29 T37E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.4Å; E29-L33 WeakPolarHBondContact O-CG 3.23Å; E29-L33 PolarHBondContact O-N 3.46Å; L33-T37 WeakPolarHBondContact O-CB 3.41Å; L33-T37 VanDerWaalsContact O-CG2 3.31Å; L33-T37 WeakPolarHBondContact O-CG2 3.28Å; L33-T37 PolarHBondContact O-N 3.31Å; L33-T37 PolarHBondContact O-OG1 2.95Å
34C53.1Low55.3Low57 Ų57116.5 Ų116.539%0.38557%0.569SS.*Hα-helixtrans-67.5-39.5174.7-169.40000111.7A30 W31 T37 K38A30-C34 WeakPolarHBondContact O-CB 3.14Å; A30-C34 PolarHBondContact O-N 3.08Å; W31-C34 PolarHBondContact O-N 3.12Å; C34-T37 WeakPolarHBondContact CA-OG1 3.36Å; C34-T37 PolarHBondContact O-N 2.96Å; C34-T37 PolarHBondContact O-OG1 3.28Å; C34-K38 WeakPolarHBondContact O-CG 2.92Å; C34-K38 PolarHBondContact O-N 3.21Å; C34-K38 VanDerWaalsContact O-N 3.08Å
35E65Low55.5Low85 Ų85116.4 Ų116.440%0.39757%0.57SS.*Hα-helixtrans-77.6-34.3179.8-140.359.3-164.700112.5W31 W32 T37 K38 E39W31-E35 PolarHBondContact O-N 3.11Å; W32-E35 PolarHBondContact O-N 2.5Å; E35-T37 VanDerWaalsContact C-N 3.31Å; E35-T37 PolarHBondContact O-N 2.73Å; E35-K38 PolarHBondContact O-N 2.93Å; E35-K38 IonicContact OE1-NZ 3.96Å; E35-K38 IonicContact OE2-NZ 2.84Å; E35-K38 PolarHBondContact OE2-NZ 3.12Å; E35-E39 PolarHBondContact O-N 3.18Å; E35-E39 VanDerWaalsContact O-N 3.11Å
36L56.7Low55.6Low71 Ų71117.5 Ų117.537%0.37257%0.565SS.*Hα-helixtrans-65.9-31.4170.3-104.469.5000113.2W32 R40W32-L36 HydrophobicContact CD2-CD1 4.22Å; W32-L36 HydrophobicContact CE3-CD1 3.32Å; W32-L36 HydrophobicContact CE3-CD2 4.3Å; W32-L36 HydrophobicContact CE3-CG 4.42Å; W32-L36 HydrophobicContact CH2-CD1 4.19Å; W32-L36 HydrophobicContact CZ3-CD1 3.31Å; W32-L36 HydrophobicContact CZ3-CD2 4.2Å; W32-L36 HydrophobicContact CZ3-CG 4.39Å; W32-L36 WeakPolarHBondContact O-CB 3.49Å; W32-L36 PolarHBondContact O-N 2.92Å; L36-R40 WeakPolarHBondContact O-CB 3.23Å; L36-R40 WeakPolarHBondContact O-CG 3.28Å; L36-R40 PolarHBondContact O-N 3.4Å
37T58.1Low55.4Low80 Ų80113.4 Ų113.449%0.49156%0.557SS.*Hα-helixtrans-77.2-34.3176.844.40000111.7L33 C34 E35 R40 V41L33-T37 WeakPolarHBondContact O-CB 3.41Å; L33-T37 VanDerWaalsContact O-CG2 3.31Å; L33-T37 WeakPolarHBondContact O-CG2 3.28Å; L33-T37 PolarHBondContact O-N 3.31Å; L33-T37 PolarHBondContact O-OG1 2.95Å; C34-T37 WeakPolarHBondContact CA-OG1 3.36Å; C34-T37 PolarHBondContact O-N 2.96Å; C34-T37 PolarHBondContact O-OG1 3.28Å; E35-T37 VanDerWaalsContact C-N 3.31Å; E35-T37 PolarHBondContact O-N 2.73Å; T37-R40 PolarHBondContact O-N 3.31Å; T37-V41 VanDerWaalsContact O-CB 3.28Å; T37-V41 WeakPolarHBondContact O-CB 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.46Å; T37-V41 PolarHBondContact O-N 3.22Å
38K58.4Low55.5Low115 Ų115109.6 Ų109.650%0.555%0.546SS..Hα-helixtrans-65.4-41.6172.3-72.4177.2-161.5155.80112.9C34 E35 S42C34-K38 WeakPolarHBondContact O-CG 2.92Å; C34-K38 PolarHBondContact O-N 3.21Å; C34-K38 VanDerWaalsContact O-N 3.08Å; E35-K38 PolarHBondContact O-N 2.93Å; E35-K38 IonicContact OE1-NZ 3.96Å; E35-K38 IonicContact OE2-NZ 2.84Å; E35-K38 PolarHBondContact OE2-NZ 3.12Å; K38-S42 WeakPolarHBondContact O-CB 3.42Å; K38-S42 PolarHBondContact O-N 2.93Å
39E54.7Low55.1Low144 Ų144112.2 Ų112.267%0.67356%0.557SS**Hα-helixtrans-67.5-39.7177.4-113.1-171.7164.100112.2E35 L43E35-E39 PolarHBondContact O-N 3.18Å; E35-E39 VanDerWaalsContact O-N 3.11Å; E39-L43 PolarHBondContact O-N 3.46Å; E39-L43 VanDerWaalsContact O-N 3.07Å
40R57.6Low54.6Low183 Ų183112 Ų11269%0.69157%0.567SS**Hα-helixtrans-72.7-35176.7-78.1-174.7164.1-138.2-2.4113.4L36 T37 L43 L44L36-R40 WeakPolarHBondContact O-CB 3.23Å; L36-R40 WeakPolarHBondContact O-CG 3.28Å; L36-R40 PolarHBondContact O-N 3.4Å; T37-R40 PolarHBondContact O-N 3.31Å; R40-L43 PolarHBondContact O-N 2.91Å; R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 PolarHBondContact O-N 2.94Å
41V58.5Low54.1Low90 Ų90116.7 Ų116.755%0.54558%0.578SS.*Hα-helixtrans-70.9-34.6174.6172.40000111T37 L44 N45T37-V41 VanDerWaalsContact O-CB 3.28Å; T37-V41 WeakPolarHBondContact O-CB 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.46Å; T37-V41 PolarHBondContact O-N 3.22Å; V41-L44 PolarHBondContact O-N 3.07Å; V41-N45 WeakPolarHBondContact O-CB 3.41Å; V41-N45 PolarHBondContact O-N 3.43Å
42S54.9Low53Low55 Ų55115 Ų11539%0.38558%0.583SS.*Hα-helixtrans-67.2-36.9172.4-168.90000112.5K38 K46K38-S42 WeakPolarHBondContact O-CB 3.42Å; K38-S42 PolarHBondContact O-N 2.93Å; S42-K46 WeakPolarHBondContact O-CB 3.39Å; S42-K46 WeakPolarHBondContact O-CD 3.21Å; S42-K46 VanDerWaalsContact O-CG 3.23Å; S42-K46 WeakPolarHBondContact O-CG 3.24Å; S42-K46 PolarHBondContact O-N 3.34Å
43L52.7Low52Low108 Ų108114.5 Ų114.557%0.56559%0.592SS**Hα-helixtrans-72.1-33.7173.4-95.3164.4000113.1E39 R40 M47E39-L43 PolarHBondContact O-N 3.46Å; E39-L43 VanDerWaalsContact O-N 3.07Å; R40-L43 PolarHBondContact O-N 2.91Å; L43-M47 WeakPolarHBondContact O-CB 3.36Å; L43-M47 PolarHBondContact O-N 3.48Å
44L53.9Low50.9Low106 Ų106118.8 Ų118.856%0.55561%0.606SS**Hα-helixtrans-71.3-39.7173-94.1144.9000111.8R40 V41 K46 M47 V48R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 PolarHBondContact O-N 2.94Å; V41-L44 PolarHBondContact O-N 3.07Å; L44-K46 VanDerWaalsContact C-N 3.35Å; L44-K46 PolarHBondContact O-N 2.86Å; L44-M47 CarbonylContact O-C 3.57Å; L44-M47 PolarHBondContact O-N 3.13Å; L44-M47 VanDerWaalsContact O-N 3.15Å; L44-V48 WeakPolarHBondContact O-CB 3.33Å; L44-V48 WeakPolarHBondContact O-CG2 3.08Å; L44-V48 PolarHBondContact O-N 3.25Å
45N54.1Low50.1Low101 Ų101121.4 Ų121.454%0.5463%0.626SS.*Hα-helixtrans-64.3-40173.2-11525.7000111.5V41 M47 V48 D49V41-N45 WeakPolarHBondContact O-CB 3.41Å; V41-N45 PolarHBondContact O-N 3.43Å; N45-M47 VanDerWaalsContact C-N 3.27Å; N45-M47 PolarHBondContact O-N 3.45Å; N45-V48 PolarHBondContact O-N 2.93Å; N45-D49 VanDerWaalsContact O-CG 3.3Å; N45-D49 PolarHBondContact O-N 3.17Å; N45-D49 VanDerWaalsContact O-OD2 3.13Å
46K53.9Low48.5Very low136 Ų136125.6 Ų125.659%0.59165%0.65SS**Hα-helixtrans-69.7-19.7174-70.8169.2-176.5167.70113.9S42 L44S42-K46 WeakPolarHBondContact O-CB 3.39Å; S42-K46 WeakPolarHBondContact O-CD 3.21Å; S42-K46 VanDerWaalsContact O-CG 3.23Å; S42-K46 WeakPolarHBondContact O-CG 3.24Å; S42-K46 PolarHBondContact O-N 3.34Å; L44-K46 VanDerWaalsContact C-N 3.35Å; L44-K46 PolarHBondContact O-N 2.86Å
47M45.6Very low47.5Very low142 Ų142130.7 Ų130.770%0.767%0.669SS**Hα-helixtrans-88.1-25.2171.1-88.1-178.3172.100112.9L43 L44 N45L43-M47 WeakPolarHBondContact O-CB 3.36Å; L43-M47 PolarHBondContact O-N 3.48Å; L44-M47 CarbonylContact O-C 3.57Å; L44-M47 PolarHBondContact O-N 3.13Å; L44-M47 VanDerWaalsContact O-N 3.15Å; N45-M47 VanDerWaalsContact C-N 3.27Å; N45-M47 PolarHBondContact O-N 3.45Å
48V53.6Low46.7Very low93 Ų93135.6 Ų135.656%0.56469%0.686SS**Hα-helixtrans-81.5-29.8177.8171.60000111.4L44 N45 C50 H51L44-V48 WeakPolarHBondContact O-CB 3.33Å; L44-V48 WeakPolarHBondContact O-CG2 3.08Å; L44-V48 PolarHBondContact O-N 3.25Å; N45-V48 PolarHBondContact O-N 2.93Å; V48-C50 PolarHBondContact O-N 3.15Å; V48-H51 PolarHBondContact O-N 3.21Å
49D43.8Very low45.5Very low124 Ų124135.6 Ų135.666%0.66370%0.696SS**THydrogen-bonded Turntrans-76.92175.4-65.1-33000114.4N45N45-D49 VanDerWaalsContact O-CG 3.3Å; N45-D49 PolarHBondContact O-N 3.17Å; N45-D49 VanDerWaalsContact O-OD2 3.13Å
50C40.8Very low44.5Very low109 Ų109138.2 Ų138.274%0.73671%0.711SS**THydrogen-bonded Turntrans-107.615.1175.3-75.20000113.5V48V48-C50 PolarHBondContact O-N 3.15Å
51H43.2Very low43.6Very low165 Ų165133.5 Ų133.576%0.76471%0.711SS**  trans-93.17.9-178.2-156.8-90.8000114.8V48V48-H51 PolarHBondContact O-N 3.21Å
52D36.8Very low42.7Very low154 Ų154135 Ų13582%0.82473%0.725SS**  trans-10474.9176.5-80.8-36.1000111.9
53L35.3Very low41.4Very low170 Ų170138.2 Ų138.289%0.8975%0.746SS**  trans-179.257.3157.7-102.3144.5000111.7
54F37.5Very low40.9Very low206 Ų206137 Ų13790%0.90475%0.752SS**  trans-144.6101.2155.3-131.7-93.7000110.4L56F54-L56 PolarHBondContact O-N 2.81Å
55S38.1Very low40.1Very low113 Ų113139.3 Ų139.379%0.7977%0.765SS**  trans-57.3102.6-179.6-170.80000111
56L31.1Very low39.7Very low173 Ų173139.3 Ų139.391%0.90677%0.771SS**  trans-95.980.2168.6-162.2100.4000108.2F54F54-L56 PolarHBondContact O-N 2.81Å
57K35Very low39Very low178 Ų178138.6 Ų138.677%0.77478%0.777SS**  trans-164.3132.3165.3-103.3168.9-172-170.60108
58Q40.4Very low38.6Very low182 Ų182139.2 Ų139.285%0.8578%0.783SS**SBendtrans73.6116.4-164.8-107.97624.500112.4
59T35.2Very low37.7Very low115 Ų115139.1 Ų139.171%0.70679%0.792SS**  cis-163.5105.327.8-50.70000107.8
60M32.1Very low37.6Very low199 Ų199138.6 Ų138.698%0.9880%0.796SS**  trans-90.6100.4156.9-75.9-164.8-70.500106.6
61A40.2Very low37.4Very low85 Ų85140.9 Ų140.970%0.70280%0.8SS**  trans-172.6132.7158.900000110.3
62S37.8Very low37.2Very low121 Ų121140.2 Ų140.285%0.84680%0.801SS**  trans87.683165.2-135.90000118
63C29.1Very low37.2Very low122 Ų122143.1 Ų143.182%0.82480%0.8SS**  trans-68.4169.2145.7-35.40000110.5
64A40.7Very low37Very low82 Ų82143.8 Ų143.868%0.67880%0.799SS**  trans83.4130.3174.700000115.2
65D38.2Very low37.1Very low156 Ų156143.2 Ų143.283%0.83480%0.796SS**  cis-168.1173.6-0.1-103.8-33000108.1
66P44.8Very low36.8Very low101 Ų101143.1 Ų143.166%0.65680%0.795SS**  trans-102.5-172.2-156.437.9-31.1000116.1
67V39.3Very low37.5Very low120 Ų120140.8 Ų140.873%0.72779%0.788SS**  trans90.2111.7161.8-52.50000120.3
68D37.7Very low37.3Very low156 Ų156139.5 Ų139.583%0.83479%0.79SS**  153126.7110-85.1-37.4000113.3
69A35.7Very low37.6Very low90 Ų90138.7 Ų138.774%0.74479%0.79SS**  trans-100.2149.4159.700000107.6
70P41.2Very low37.9Very low114 Ų114137.7 Ų137.774%0.7479%0.788SS**  -157.2165.191.337.7-16.9000117.4
71L35.8Very low38.3Very low157 Ų157133.9 Ų133.982%0.82278%0.778SS**  trans34.9119.8142.4-76.4159.1000121
72L39Very low38.3Very low151 Ų151139.8 Ų139.879%0.79179%0.788SS**  177.6132111.2-103.5157.7000114.8
73R36.1Very low38.4Very low214 Ų214137.5 Ų137.581%0.80878%0.777SS**  trans76.999.7140.8-102.2176.9173.4-174.3-4.5121.6
74Q32.9Very low38.7Very low184 Ų184141.2 Ų141.286%0.8678%0.782SS**  19.7113.8124.7-75.4173.5-50.300117.8
75K37.8Very low38.8Very low195 Ų195143.5 Ų143.585%0.84879%0.788SS**  trans-141.7110133.5-161.8138-175.7175.20110.5V77K75-V77 PolarHBondContact O-N 3.01Å
76S32.9Very low38.8Very low110 Ų110140.8 Ų140.877%0.76979%0.787SS**  trans-57.7123.2164.9138.50000109.4
77V45Very low38.9Very low124 Ų124143.6 Ų143.675%0.75279%0.791SS**  trans-144.8112.2153.3-93.90000107.9K75K75-V77 PolarHBondContact O-N 3.01Å
78N32.2Very low38.9Very low152 Ų152146.6 Ų146.681%0.81380%0.798SS**  trans-86.5119.5179-150.6-29.9000107.3
79L44.9Very low39.1Very low165 Ų165144 Ų14486%0.86480%0.798SS**  trans-148.484.8174.9-89.4156.7000109
80S42.5Very low39.6Very low94 Ų94142.7 Ų142.766%0.65778%0.783SS**  trans-93.3148.5146.557.40000107
81P39.9Very low40.1Very low118 Ų118141.1 Ų141.177%0.76677%0.772SS**  -150.5145.460.835.8-14.7000115.5
82F40Very low40.6Very low209 Ų209137.8 Ų137.892%0.91777%0.766SS**  trans-136.6110.5162.8-144.6-96.7000112
83A40.5Very low41.1Very low74 Ų74137 Ų13761%0.61276%0.763SS**  trans60.982.7150.400000118.5T85A83-T85 PolarHBondContact O-N 2.85Å
84E36.5Very low42Very low199 Ų199133 Ų13393%0.9375%0.752SS**  trans-68.8113.5151.5-168162.5-163.800108.8
85T42.3Very low43.2Very low130 Ų130132.9 Ų132.980%0.79875%0.748SS**  trans-118.9118.9163.621.70000108.2A83 E87A83-T85 PolarHBondContact O-N 2.85Å; T85-E87 PolarHBondContact O-N 3.17Å
86A38.8Very low44.1Very low99 Ų99134.1 Ų134.182%0.81875%0.748SS**  trans-63.2112.7-17600000112.2
87E46.1Very low46.2Very low160 Ų160135.7 Ų135.775%0.74874%0.742SS**  trans-142.744.9161.7-97.7-78.8155.800108.2T85T85-E87 PolarHBondContact O-N 3.17Å
88E38.6Very low48.1Very low184 Ų184133 Ų13386%0.8673%0.727SS**  trans-103.466.9178.3-114.2-169162.400110.4
89A42.7Very low50.9Low102 Ų102127 Ų12784%0.84370%0.7SS**SBendtrans-151.91.8170.600000116.4
90S45.7Very low53.2Low62 Ų62123.9 Ų123.943%0.43469%0.688SS.*SBendtrans-123.612.6178.381.90000115.6K94S90-K94 PolarHBondContact O-NZ 3.29Å; S90-K94 PolarHBondContact OG-NZ 3.15Å
91T51.1Low55.6Low81 Ų81121.3 Ų121.350%0.49767%0.666SS.*  trans-99.5-7-169.849.80000114.7
92A46.6Very low58.1Low86 Ų86125.6 Ų125.671%0.71168%0.676SS**SBendtrans-73.9-39.5-176.200000113.6
93D49.9Very low60.6Low136 Ų136118.7 Ų118.773%0.72765%0.649SS**G310 helixtrans-82.2-18177.6-86.3-30000114K95D93-K95 PolarHBondContact O-N 3.26Å
94K55.5Low63.1Low130 Ų130116.7 Ų116.757%0.56564%0.635SS**G310 helixtrans-72.2-12.3175.9-70.7170.5-175.9151.70113.1S90S90-K94 PolarHBondContact O-NZ 3.29Å; S90-K94 PolarHBondContact OG-NZ 3.15Å
95K56.9Low65.7Low180 Ų180107.5 Ų107.578%0.78359%0.594SS**G310 helixtrans-85.4-11.1-172.6-140.5166.4-174.3176.60114.3D93D93-K95 PolarHBondContact O-N 3.26Å
96R58Low68.2Low222 Ų222106.3 Ų106.384%0.83859%0.586SS**G310 helixtrans-92.4-8.3-178.7-69-166178.5-117.32.3115.5
97H77.5Confident70.7Confident142 Ų142105.4 Ų105.466%0.65756%0.564SS**SBendtrans-107.8-8.2-176.1-58.7-49.7000114.5
98T84.9Confident73Confident69 Ų69100.3 Ų100.342%0.42354%0.543SS..EExtended strand (participates in β ladder)trans-93.5114.2-178.2-58.80000109.5V106T98-V106 HydrophobicContact CG2-CG1 3.13Å
99G90.2Very high75.5Confident24 Ų2498.2 Ų98.225%0.24754%0.538CS..EExtended strand (participates in β ladder)trans-92.7160.4175.200000112.2F107G99-F107 PolarHBondContact N-O 2.95Å; G99-F107 VanDerWaalsContact O-CD1 3.32Å; G99-F107 WeakPolarHBondContact O-CD1 3.3Å; G99-F107 PolarHBondContact O-N 3.32Å
100V93Very high77.7Confident101 Ų10196.4 Ų96.461%0.61253%0.53SS*.EExtended strand (participates in β ladder)trans-117.3127.7172.2-178.20000108.5G105 F107V100-G105 WeakPolarHBondContact CA-O 3.4Å; V100-F107 VanDerWaalsContact C-CE1 3.47Å
101N92.6Very high80Confident39 Ų39102.5 Ų102.521%0.20954%0.543CS..  trans-81.9175.5-179.170.125.9000111.3L103 G104 G105 F107 R139N101-L103 PolarHBondContact O-N 2.93Å; N101-L103 VanDerWaalsContact O-N 3.11Å; N101-L103 WeakPolarHBondContact OD1-CA 3.28Å; N101-L103 WeakPolarHBondContact OD1-CB 3.39Å; N101-L103 PolarHBondContact OD1-N 3Å; N101-G104 PolarHBondContact O-N 3.42Å; N101-G104 PolarHBondContact OD1-N 2.87Å; N101-G104 VanDerWaalsContact OD1-N 3.14Å; N101-G105 VanDerWaalsContact CG-O 3.32Å; N101-G105 PolarHBondContact N-O 2.99Å; N101-G105 WeakPolarHBondContact OD1-CA 3.31Å; N101-G105 PolarHBondContact OD1-N 3.06Å; N101-F107 HydrophobicContact CB-CD1 3.9Å; N101-F107 HydrophobicContact CB-CE1 3.9Å; N101-R139 PolarHBondContact ND2-O 3.42Å
102Q93.5Very high82.1Confident208 Ų208101.5 Ų101.597%0.97254%0.538SS*.THydrogen-bonded Turntrans-63.2-17.1180-65.6176.6-0.900114.3G104Q102-G104 VanDerWaalsContact C-N 3.33Å
103L92.6Very high84.3Confident65 Ų6598.9 Ų98.934%0.3451%0.512SS..THydrogen-bonded Turntrans-92.13.8175.8-59.4172.7000112N101 G105 R139 V140N101-L103 PolarHBondContact O-N 2.93Å; N101-L103 VanDerWaalsContact O-N 3.11Å; N101-L103 WeakPolarHBondContact OD1-CA 3.28Å; N101-L103 WeakPolarHBondContact OD1-CB 3.39Å; N101-L103 PolarHBondContact OD1-N 3Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.1Å; L103-R139 HydrophobicContact CB-CB 4.1Å; L103-R139 WeakPolarHBondContact O-CB 3.28Å; L103-R139 VanDerWaalsContact O-CD 3.3Å; L103-R139 WeakPolarHBondContact O-CD 3.34Å; L103-R139 WeakPolarHBondContact O-CG 3.27Å; L103-V140 WeakPolarHBondContact CD1-O 3.22Å
104G91.3Very high86.4Confident31 Ų3195.6 Ų95.632%0.3250%0.498SS..SBendtrans74.118.2-175.500000113.8N101 Q102 R139N101-G104 PolarHBondContact O-N 3.42Å; N101-G104 PolarHBondContact OD1-N 2.87Å; N101-G104 VanDerWaalsContact OD1-N 3.14Å; Q102-G104 VanDerWaalsContact C-N 3.33Å; G104-R139 WeakPolarHBondContact O-CD 3.41Å; G104-R139 PolarHBondContact O-NH1 2.89Å
105G92.6Very high88.4Confident7 Ų793.5 Ų93.57%0.07249%0.493CS..  trans-89.7137.9177.300000112.1V100 N101 L103 R139V100-G105 WeakPolarHBondContact CA-O 3.4Å; N101-G105 VanDerWaalsContact CG-O 3.32Å; N101-G105 PolarHBondContact N-O 2.99Å; N101-G105 WeakPolarHBondContact OD1-CA 3.31Å; N101-G105 PolarHBondContact OD1-N 3.06Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.1Å; G105-R139 WeakPolarHBondContact CA-O 3.43Å
106V93.5Very high90.2Very high104 Ų10491.5 Ų91.563%0.6349%0.486SS*.EExtended strand (participates in β ladder)trans-80.9130.7-178.5-177.90000110T98T98-V106 HydrophobicContact CG2-CG1 3.13Å
107F92.6Very high92Very high80 Ų8082.2 Ų82.235%0.35145%0.454SS..EExtended strand (participates in β ladder)trans-144160.1178.574.5-83.1000112.2G99 V100 N101 N109G99-F107 PolarHBondContact N-O 2.95Å; G99-F107 VanDerWaalsContact O-CD1 3.32Å; G99-F107 WeakPolarHBondContact O-CD1 3.3Å; G99-F107 PolarHBondContact O-N 3.32Å; V100-F107 VanDerWaalsContact C-CE1 3.47Å; N101-F107 HydrophobicContact CB-CD1 3.9Å; N101-F107 HydrophobicContact CB-CE1 3.9Å; F107-N109 HydrophobicContact CE2-CB 4.29Å
108V92.5Very high93Very high53 Ų5376 Ų7632%0.32143%0.425SS..EExtended strand (participates in β ladder)trans-116.6120.1172.8-176.80000108.2G110 R111V108-G110 PolarHBondContact O-N 2.74Å; V108-R111 HydrophobicContact CB-CB 4.16Å; V108-R111 HydrophobicContact CB-CG 4.39Å; V108-R111 HydrophobicContact CG1-CB 4.18Å; V108-R111 HydrophobicContact CG1-CG 3.87Å; V108-R111 PolarHBondContact O-N 2.65Å
109N91.7Very high93.6Very high141 Ų14176.2 Ų76.275%0.75442%0.421SS*.THydrogen-bonded Turntrans-63.5138.7-175.9-162.59000111.1F107 R111F107-N109 HydrophobicContact CE2-CB 4.29Å; N109-R111 PolarHBondContact O-N 2.87Å
110G90.2Very high93.9Very high64 Ų6480.6 Ų80.666%0.6643%0.43SS*.THydrogen-bonded Turntrans73.9-7.1-177.500000116.1V108V108-G110 PolarHBondContact O-N 2.74Å
111R93Very high94.2Very high190 Ų19075.8 Ų75.872%0.71740%0.401SS*.SBendtrans-100.7146.3177.1-64.5-164.8179.6-167.1-3111.3V108 N109V108-R111 HydrophobicContact CB-CB 4.16Å; V108-R111 HydrophobicContact CB-CG 4.39Å; V108-R111 HydrophobicContact CG1-CB 4.18Å; V108-R111 HydrophobicContact CG1-CG 3.87Å; V108-R111 PolarHBondContact O-N 2.65Å; N109-R111 PolarHBondContact O-N 2.87Å
112P94.6Very high94.4Very high60 Ų6074 Ų7439%0.3939%0.391SS..PPolyproline II helixtrans-63.4149.6173.128.1-33.3000110.4P160 I163P112-P160 HydrophobicContact CB-CB 3.56Å; P112-P160 HydrophobicContact CB-CG 3.86Å; P112-P160 HydrophobicContact CG-CB 4.11Å; P112-P160 HydrophobicContact CG-CG 4Å; P112-I163 HydrophobicContact CB-CD1 4.5Å; P112-I163 HydrophobicContact CG-CD1 4.44Å
113L94Very high94.6Very high31 Ų3167.8 Ų67.816%0.16236%0.362CS..PPolyproline II helixtrans-57.6139.2174.3-169.269.5000109.8V117 R118 I121 V140 I148L113-V117 HydrophobicContact CD1-CB 4.5Å; L113-V117 HydrophobicContact CD1-CG1 4.4Å; L113-V117 HydrophobicContact CD2-CB 3.9Å; L113-V117 HydrophobicContact CD2-CG1 3.61Å; L113-V117 HydrophobicContact CG-CB 3.95Å; L113-V117 HydrophobicContact CG-CG1 4.09Å; L113-R118 HydrophobicContact CB-CG 4.09Å; L113-R118 HydrophobicContact CD2-CG 4.28Å; L113-R118 HydrophobicContact CG-CG 4.41Å; L113-R118 WeakPolarHBondContact O-CD 3.32Å; L113-I121 HydrophobicContact CD2-CD1 3.82Å; L113-V140 HydrophobicContact CD1-CG2 4.33Å; L113-V140 HydrophobicContact CD2-CG1 4.07Å; L113-V140 HydrophobicContact CD2-CG2 3.96Å; L113-I148 HydrophobicContact CD2-CD1 3.93Å
114P94.7Very high94.8Very high67 Ų6765.2 Ų65.244%0.43535%0.349SS..PPolyproline II helixtrans-54.3141.5-179.9-27.835.7000113.2H116 V117 R118P114-H116 VanDerWaalsContact C-N 3.27Å; P114-H116 WeakPolarHBondContact CB-CE1 3.36Å; P114-H116 WeakPolarHBondContact CB-ND1 3.4Å; P114-H116 PolarHBondContact O-N 2.99Å; P114-V117 HydrophobicContact CB-CG2 4.33Å; P114-V117 PolarHBondContact O-N 2.71Å; P114-R118 WeakPolarHBondContact O-CG 3.47Å; P114-R118 PolarHBondContact O-N 3.43Å; P114-R118 VanDerWaalsContact O-N 3.14Å
115D95.6Very high95.1Very high85 Ų8564.5 Ų64.546%0.45534%0.34SS..Hα-helixtrans-59.1-35.1-172.2-73.4-23.1000113.3V117 R118 Q119D115-V117 VanDerWaalsContact C-N 3.31Å; D115-V117 PolarHBondContact O-N 3.35Å; D115-R118 WeakPolarHBondContact O-CB 3.35Å; D115-R118 PolarHBondContact O-N 2.85Å; D115-Q119 WeakPolarHBondContact O-CB 3.13Å; D115-Q119 PolarHBondContact O-N 2.83Å
116H95.7Very high95.3Very high139 Ų13970.8 Ų70.864%0.64437%0.365SS*.Hα-helixtrans-61.5-37175.867-91.1000112.7P114 R120P114-H116 VanDerWaalsContact C-N 3.27Å; P114-H116 WeakPolarHBondContact CB-CE1 3.36Å; P114-H116 WeakPolarHBondContact CB-ND1 3.4Å; P114-H116 PolarHBondContact O-N 2.99Å; H116-R120 WeakPolarHBondContact O-CB 3.34Å; H116-R120 PolarHBondContact O-N 3.37Å
117V96.6Very high95.5Very high26 Ų2669.8 Ų69.816%0.15836%0.363CS..Hα-helixtrans-73-39.3176-170.40000110.3L113 P114 D115 Q119 R120 I121 L138 V140L113-V117 HydrophobicContact CD1-CB 4.5Å; L113-V117 HydrophobicContact CD1-CG1 4.4Å; L113-V117 HydrophobicContact CD2-CB 3.9Å; L113-V117 HydrophobicContact CD2-CG1 3.61Å; L113-V117 HydrophobicContact CG-CB 3.95Å; L113-V117 HydrophobicContact CG-CG1 4.09Å; P114-V117 HydrophobicContact CB-CG2 4.33Å; P114-V117 PolarHBondContact O-N 2.71Å; D115-V117 VanDerWaalsContact C-N 3.31Å; D115-V117 PolarHBondContact O-N 3.35Å; V117-Q119 VanDerWaalsContact C-N 3.32Å; V117-Q119 PolarHBondContact O-N 3.23Å; V117-R120 PolarHBondContact O-N 3.38Å; V117-I121 HydrophobicContact CG1-CD1 4.39Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.33Å; V117-I121 PolarHBondContact O-N 3.14Å; V117-L138 HydrophobicContact CG1-CD1 4.44Å; V117-V140 HydrophobicContact CG1-CG2 3.82Å
118R97.5Very high95.6Very high13 Ų1369.1 Ų69.15%0.04938%0.378CS..Hα-helixtrans-61.3-42.5176.3-60.5177.16278.99111.2L113 P114 D115 I121 V122 I148 I158L113-R118 HydrophobicContact CB-CG 4.09Å; L113-R118 HydrophobicContact CD2-CG 4.28Å; L113-R118 HydrophobicContact CG-CG 4.41Å; L113-R118 WeakPolarHBondContact O-CD 3.32Å; P114-R118 WeakPolarHBondContact O-CG 3.47Å; P114-R118 PolarHBondContact O-N 3.43Å; P114-R118 VanDerWaalsContact O-N 3.14Å; D115-R118 WeakPolarHBondContact O-CB 3.35Å; D115-R118 PolarHBondContact O-N 2.85Å; R118-I121 PolarHBondContact O-N 3.09Å; R118-V122 PolarHBondContact O-N 3.32Å; R118-I148 HydrophobicContact CG-CD1 4Å; R118-I158 PolarHBondContact NE-O 3.12Å; R118-I158 PolarHBondContact NH2-O 3.03Å
119Q97.5Very high95.9Very high72 Ų7268.2 Ų68.234%0.33637%0.373SS..Hα-helixtrans-61.5-47.3173.8-179.761.121.200111D115 V117 I121 V122 E123 I158D115-Q119 WeakPolarHBondContact O-CB 3.13Å; D115-Q119 PolarHBondContact O-N 2.83Å; V117-Q119 VanDerWaalsContact C-N 3.32Å; V117-Q119 PolarHBondContact O-N 3.23Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.08Å; Q119-V122 PolarHBondContact O-N 3.42Å; Q119-E123 VanDerWaalsContact CG-OE1 3.32Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.35Å; Q119-E123 PolarHBondContact NE2-OE1 3.19Å; Q119-E123 VanDerWaalsContact NE2-OE1 3.15Å; Q119-E123 WeakPolarHBondContact O-CG 3.49Å; Q119-E123 PolarHBondContact O-N 2.94Å; Q119-I158 HydrophobicContact CB-CD1 4.29Å; Q119-I158 VanDerWaalsContact OE1-CD1 3.28Å
120R97.4Very high96.1Very high116 Ų11669.8 Ų69.844%0.43837%0.368SS..Hα-helixtrans-61.7-36.9178.6-171.459178.4175.31113.5H116 V117 V122 E123 L124 L138H116-R120 WeakPolarHBondContact O-CB 3.34Å; H116-R120 PolarHBondContact O-N 3.37Å; V117-R120 PolarHBondContact O-N 3.38Å; R120-V122 VanDerWaalsContact C-N 3.3Å; R120-V122 PolarHBondContact O-N 3.5Å; R120-E123 WeakPolarHBondContact CD-OE2 3.41Å; R120-E123 IonicContact NH1-OE2 3.2Å; R120-E123 PolarHBondContact NH1-OE2 3.47Å; R120-E123 PolarHBondContact O-N 3.32Å; R120-L124 HydrophobicContact CG-CD1 4.25Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CG 3.3Å; R120-L124 PolarHBondContact O-N 3.47Å; R120-L138 HydrophobicContact CB-CD1 4.23Å; R120-L138 HydrophobicContact CB-CD2 4.47Å; R120-L138 HydrophobicContact CG-CD1 4Å; R120-L138 HydrophobicContact CG-CD2 3.63Å; R120-L138 HydrophobicContact CG-CG 4.45Å
121I97.8Very high96.5Very high0 Ų069.6 Ų69.60%036%0.355CS..Hα-helixtrans-57.9-45.7173.4-72.9165.6000110.5L113 V117 R118 Q119 A125 I134 L138 V140 V145 I148 L149L113-I121 HydrophobicContact CD2-CD1 3.82Å; V117-I121 HydrophobicContact CG1-CD1 4.39Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.33Å; V117-I121 PolarHBondContact O-N 3.14Å; R118-I121 PolarHBondContact O-N 3.09Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.08Å; I121-A125 WeakPolarHBondContact O-CB 3.16Å; I121-A125 PolarHBondContact O-N 3.2Å; I121-A125 VanDerWaalsContact O-N 3.12Å; I121-I134 HydrophobicContact CB-CG2 4.37Å; I121-I134 HydrophobicContact CG1-CG2 4.07Å; I121-I134 HydrophobicContact CG2-CG2 4.3Å; I121-L138 HydrophobicContact CB-CD1 4.35Å; I121-L138 HydrophobicContact CG1-CD1 3.44Å; I121-L138 VanDerWaalsContact CG1-CD1 3.44Å; I121-V140 HydrophobicContact CD1-CG1 4.33Å; I121-V145 HydrophobicContact CD1-CG2 4.3Å; I121-V145 HydrophobicContact CG2-CG1 4.02Å; I121-I148 HydrophobicContact CD1-CD1 3.57Å; I121-I148 HydrophobicContact CG2-CB 4.44Å; I121-I148 HydrophobicContact CG2-CG2 4.1Å; I121-L149 HydrophobicContact CG2-CD2 3.84Å; I121-L149 HydrophobicContact CG2-CG 3.97Å
122V97.4Very high96.7Very high2 Ų262.7 Ų62.71%0.01234%0.335CS..Hα-helixtrans-69.5-40.8-179.8173.50000111.3R118 Q119 R120 A125 K126 I148 L149 Y152 I158R118-V122 PolarHBondContact O-N 3.32Å; Q119-V122 PolarHBondContact O-N 3.42Å; R120-V122 VanDerWaalsContact C-N 3.3Å; R120-V122 PolarHBondContact O-N 3.5Å; V122-A125 PolarHBondContact O-N 3.08Å; V122-K126 HydrophobicContact CG1-CD 4.2Å; V122-K126 HydrophobicContact CG1-CG 4.48Å; V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.36Å; V122-I148 HydrophobicContact CG2-CG2 4.42Å; V122-L149 HydrophobicContact CG2-CD2 4.43Å; V122-Y152 HydrophobicContact CG1-CD1 3.81Å; V122-Y152 HydrophobicContact CG1-CD2 4.15Å; V122-Y152 HydrophobicContact CG1-CE1 3.5Å; V122-Y152 VanDerWaalsContact CG1-CE1 3.5Å; V122-Y152 HydrophobicContact CG1-CE2 3.89Å; V122-Y152 HydrophobicContact CG1-CG 4.12Å; V122-Y152 HydrophobicContact CG2-CD1 4.21Å; V122-Y152 HydrophobicContact CG2-CD2 4.07Å; V122-Y152 HydrophobicContact CG2-CG 3.88Å; V122-I158 HydrophobicContact CG2-CG2 4.04Å
123E97.5Very high96.8Very high77 Ų7762.7 Ų62.736%0.3633%0.332SS..Hα-helixtrans-59.3-47.8176-73169.9-17300112.4Q119 R120 A125 K126 S127Q119-E123 VanDerWaalsContact CG-OE1 3.32Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.35Å; Q119-E123 PolarHBondContact NE2-OE1 3.19Å; Q119-E123 VanDerWaalsContact NE2-OE1 3.15Å; Q119-E123 WeakPolarHBondContact O-CG 3.49Å; Q119-E123 PolarHBondContact O-N 2.94Å; R120-E123 WeakPolarHBondContact CD-OE2 3.41Å; R120-E123 IonicContact NH1-OE2 3.2Å; R120-E123 PolarHBondContact NH1-OE2 3.47Å; R120-E123 PolarHBondContact O-N 3.32Å; E123-A125 VanDerWaalsContact C-N 3.33Å; E123-A125 PolarHBondContact O-N 3.46Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-S127 PolarHBondContact O-N 3.19Å
124L97.5Very high97Very high11 Ų1161.2 Ų61.26%0.05833%0.325CS..Hα-helixtrans-65.5-37.7178.8-69.5172000112.1R120 K126 S127 G128 V129 I134 L138R120-L124 HydrophobicContact CG-CD1 4.25Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CG 3.3Å; R120-L124 PolarHBondContact O-N 3.47Å; L124-K126 VanDerWaalsContact C-N 3.32Å; L124-S127 WeakPolarHBondContact CA-OG 3.33Å; L124-S127 PolarHBondContact O-N 2.88Å; L124-S127 PolarHBondContact O-OG 3.09Å; L124-G128 PolarHBondContact O-N 3.28Å; L124-V129 HydrophobicContact CB-CB 4.25Å; L124-V129 HydrophobicContact CB-CG2 4.35Å; L124-V129 HydrophobicContact CD2-CG2 4.26Å; L124-V129 VanDerWaalsContact O-CB 3.24Å; L124-V129 WeakPolarHBondContact O-CB 3.41Å; L124-V129 WeakPolarHBondContact O-CG2 3.46Å; L124-V129 PolarHBondContact O-N 2.98Å; L124-I134 HydrophobicContact CB-CD1 3.86Å; L124-I134 HydrophobicContact CB-CG1 3.79Å; L124-I134 HydrophobicContact CD1-CG1 4.36Å; L124-I134 HydrophobicContact CD1-CG2 4.17Å; L124-L138 HydrophobicContact CD1-CD1 3.92Å; L124-L138 HydrophobicContact CD1-CD2 4.11Å; L124-L138 HydrophobicContact CD1-CG 3.96Å
125A97.6Very high97.1Very high16 Ų1658.5 Ų58.513%0.13231%0.307CS..Hα-helixtrans-65.2-38.6175.200000111.5I121 V122 E123 S127 G128 I134 L149I121-A125 WeakPolarHBondContact O-CB 3.16Å; I121-A125 PolarHBondContact O-N 3.2Å; I121-A125 VanDerWaalsContact O-N 3.12Å; V122-A125 PolarHBondContact O-N 3.08Å; E123-A125 VanDerWaalsContact C-N 3.33Å; E123-A125 PolarHBondContact O-N 3.46Å; A125-S127 VanDerWaalsContact C-N 3.34Å; A125-G128 PolarHBondContact O-N 3.16Å; A125-G128 VanDerWaalsContact O-N 3.14Å; A125-I134 HydrophobicContact CB-CD1 3.87Å; A125-L149 HydrophobicContact CB-CD1 4.07Å; A125-L149 HydrophobicContact CB-CD2 3.48Å; A125-L149 VanDerWaalsContact CB-CD2 3.48Å; A125-L149 HydrophobicContact CB-CG 4.45Å
126K96.6Very high97.2Very high139 Ų13963 Ų6360%0.60432%0.318SS*.Hα-helixtrans-66.1-33.5174.8-75.3178176.9-174.70112.8V122 E123 L124 G128 Y152V122-K126 HydrophobicContact CG1-CD 4.2Å; V122-K126 HydrophobicContact CG1-CG 4.48Å; V122-K126 WeakPolarHBondContact O-CG 3.49Å; V122-K126 PolarHBondContact O-N 3.36Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 3.39Å; L124-K126 VanDerWaalsContact C-N 3.32Å; K126-G128 PolarHBondContact O-N 3.47Å; K126-Y152 WeakPolarHBondContact CE-OH 3.34Å; K126-Y152 PolarHBondContact NZ-OH 3.5Å
127S96.8Very high97.2Very high84 Ų8461.8 Ų61.859%0.58731%0.312SS*.THydrogen-bonded Turntrans-77.19173.568.40000113.6E123 L124 A125E123-S127 PolarHBondContact O-N 3.19Å; L124-S127 WeakPolarHBondContact CA-OG 3.33Å; L124-S127 PolarHBondContact O-N 2.88Å; L124-S127 PolarHBondContact O-OG 3.09Å; A125-S127 VanDerWaalsContact C-N 3.34Å
128G96.1Very high97.2Very high65 Ų6562.8 Ų62.867%0.6732%0.316SS*.THydrogen-bonded Turntrans81.412176.500000115.1L124 A125 K126L124-G128 PolarHBondContact O-N 3.28Å; A125-G128 PolarHBondContact O-N 3.16Å; A125-G128 VanDerWaalsContact O-N 3.14Å; K126-G128 PolarHBondContact O-N 3.47Å
129V97.4Very high97.2Very high35 Ų3568.8 Ų68.821%0.21234%0.339CS..  trans-72.9134.8178-176.60000109.8L124 D133 I134L124-V129 HydrophobicContact CB-CB 4.25Å; L124-V129 HydrophobicContact CB-CG2 4.35Å; L124-V129 HydrophobicContact CD2-CG2 4.26Å; L124-V129 VanDerWaalsContact O-CB 3.24Å; L124-V129 WeakPolarHBondContact O-CB 3.41Å; L124-V129 WeakPolarHBondContact O-CG2 3.46Å; L124-V129 PolarHBondContact O-N 2.98Å; V129-D133 HydrophobicContact CG1-CB 3.76Å; V129-I134 HydrophobicContact CB-CD1 4.42Å; V129-I134 HydrophobicContact CB-CG1 4.03Å; V129-I134 HydrophobicContact CG1-CG1 3.72Å
130R97.5Very high97.1Very high174 Ų17465.8 Ų65.866%0.65733%0.326SS*.  trans-65.6141.4-179.1-56.5174.268.2173.50.9110.1C132 D133 I134R130-C132 VanDerWaalsContact CB-SG 3.57Å; R130-C132 PolarHBondContact O-N 2.92Å; R130-D133 WeakPolarHBondContact CB-OD2 3.4Å; R130-D133 PolarHBondContact O-N 3.18Å; R130-I134 WeakPolarHBondContact O-CG1 3.36Å; R130-I134 PolarHBondContact O-N 3.42Å; R130-I134 VanDerWaalsContact O-N 3.08Å
131P97.2Very high97.1Very high60 Ų6063.3 Ų63.339%0.3933%0.326SS..Hα-helixtrans-55-30.3179.9-28.535.2000114.8S135 V145 L149P131-S135 WeakPolarHBondContact O-CB 3.31Å; P131-S135 PolarHBondContact O-N 3.48Å; P131-S135 VanDerWaalsContact O-N 3.11Å; P131-V145 HydrophobicContact CB-CG1 4.36Å; P131-L149 HydrophobicContact CB-CD1 4.4Å; P131-L149 HydrophobicContact CG-CD1 4.22Å
132C97.2Very high97.1Very high44 Ų4468.5 Ų68.530%0.29735%0.35SS..Hα-helixtrans-64-39.7173.8580000112.6R130 S135 R136R130-C132 VanDerWaalsContact CB-SG 3.57Å; R130-C132 PolarHBondContact O-N 2.92Å; C132-S135 WeakPolarHBondContact O-CB 3.4Å; C132-S135 PolarHBondContact O-N 2.95Å; C132-R136 WeakPolarHBondContact O-CG 3.35Å; C132-R136 PolarHBondContact O-N 3.02Å
133D97.7Very high97Very high61 Ų6170.2 Ų70.233%0.32637%0.368SS..Hα-helixtrans-76.7-38-178.1-56.8-30.5000110V129 R130 S135 R136 Q137V129-D133 HydrophobicContact CG1-CB 3.76Å; R130-D133 WeakPolarHBondContact CB-OD2 3.4Å; R130-D133 PolarHBondContact O-N 3.18Å; D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 3.46Å; D133-R136 PolarHBondContact O-N 3.42Å; D133-Q137 WeakPolarHBondContact O-CB 3.5Å; D133-Q137 VanDerWaalsContact O-CG 3.25Å; D133-Q137 WeakPolarHBondContact O-CG 3.46Å; D133-Q137 PolarHBondContact O-N 2.84Å
134I97.7Very high97Very high0 Ų068.1 Ų68.10%036%0.362CS..Hα-helixtrans-56.1-46.1171.7-60177.5000110.7I121 L124 A125 V129 R130 R136 Q137 L138 V145I121-I134 HydrophobicContact CB-CG2 4.37Å; I121-I134 HydrophobicContact CG1-CG2 4.07Å; I121-I134 HydrophobicContact CG2-CG2 4.3Å; L124-I134 HydrophobicContact CB-CD1 3.86Å; L124-I134 HydrophobicContact CB-CG1 3.79Å; L124-I134 HydrophobicContact CD1-CG1 4.36Å; L124-I134 HydrophobicContact CD1-CG2 4.17Å; A125-I134 HydrophobicContact CB-CD1 3.87Å; V129-I134 HydrophobicContact CB-CD1 4.42Å; V129-I134 HydrophobicContact CB-CG1 4.03Å; V129-I134 HydrophobicContact CG1-CG1 3.72Å; R130-I134 WeakPolarHBondContact O-CG1 3.36Å; R130-I134 PolarHBondContact O-N 3.42Å; R130-I134 VanDerWaalsContact O-N 3.08Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.02Å; I134-Q137 PolarHBondContact O-N 3.04Å; I134-L138 HydrophobicContact CG2-CD1 3.83Å; I134-L138 HydrophobicContact CG2-CG 4.4Å; I134-L138 WeakPolarHBondContact O-CB 3.44Å; I134-L138 PolarHBondContact O-N 3.22Å; I134-V145 HydrophobicContact CB-CG1 4.32Å; I134-V145 HydrophobicContact CG2-CG1 4.05Å; I134-V145 HydrophobicContact CG2-CG2 4.35Å
135S97.6Very high97Very high9 Ų967.6 Ų67.66%0.06336%0.359CS..Hα-helixtrans-58.4-43.8178.6175.70000112P131 C132 D133 R139 V140 H142P131-S135 WeakPolarHBondContact O-CB 3.31Å; P131-S135 PolarHBondContact O-N 3.48Å; P131-S135 VanDerWaalsContact O-N 3.11Å; C132-S135 WeakPolarHBondContact O-CB 3.4Å; C132-S135 PolarHBondContact O-N 2.95Å; D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 3.46Å; S135-R139 CarbonylContact O-C 3.55Å; S135-R139 VanDerWaalsContact O-CA 3.27Å; S135-R139 WeakPolarHBondContact O-CA 3.15Å; S135-R139 PolarHBondContact O-N 3.29Å; S135-V140 WeakPolarHBondContact CA-O 3.43Å; S135-V140 WeakPolarHBondContact CB-O 3.4Å; S135-V140 PolarHBondContact O-N 2.78Å; S135-V140 PolarHBondContact OG-O 2.94Å; S135-H142 PolarHBondContact OG-N 3.11Å
136R96.9Very high97Very high180 Ų18070.1 Ų70.168%0.67938%0.376SS*.Hα-helixtrans-72-44.2179.2-66.6178.7-171.7-78.71.3112.3C132 D133 I134 R139C132-R136 WeakPolarHBondContact O-CG 3.35Å; C132-R136 PolarHBondContact O-N 3.02Å; D133-R136 PolarHBondContact O-N 3.42Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.02Å; R136-R139 PolarHBondContact O-N 3.36Å
137Q96.5Very high97Very high114 Ų11471.3 Ų71.353%0.53338%0.381SS..Hα-helixtrans-63.7-46.4-179.2-72.4175.62400112D133 I134 R139D133-Q137 WeakPolarHBondContact O-CB 3.5Å; D133-Q137 VanDerWaalsContact O-CG 3.25Å; D133-Q137 WeakPolarHBondContact O-CG 3.46Å; D133-Q137 PolarHBondContact O-N 2.84Å; I134-Q137 PolarHBondContact O-N 3.04Å; Q137-R139 VanDerWaalsContact C-N 3.33Å
138L96.3Very high97Very high46 Ų4667.6 Ų67.624%0.24135%0.354CS..THydrogen-bonded Turntrans-88-3.2-178.8-58.7-178000113.2V117 R120 I121 L124 I134 V140V117-L138 HydrophobicContact CG1-CD1 4.44Å; R120-L138 HydrophobicContact CB-CD1 4.23Å; R120-L138 HydrophobicContact CB-CD2 4.47Å; R120-L138 HydrophobicContact CG-CD1 4Å; R120-L138 HydrophobicContact CG-CD2 3.63Å; R120-L138 HydrophobicContact CG-CG 4.45Å; I121-L138 HydrophobicContact CB-CD1 4.35Å; I121-L138 HydrophobicContact CG1-CD1 3.44Å; I121-L138 VanDerWaalsContact CG1-CD1 3.44Å; L124-L138 HydrophobicContact CD1-CD1 3.92Å; L124-L138 HydrophobicContact CD1-CD2 4.11Å; L124-L138 HydrophobicContact CD1-CG 3.96Å; I134-L138 HydrophobicContact CG2-CD1 3.83Å; I134-L138 HydrophobicContact CG2-CG 4.4Å; I134-L138 WeakPolarHBondContact O-CB 3.44Å; I134-L138 PolarHBondContact O-N 3.22Å; L138-V140 HydrophobicContact CB-CG2 4.07Å; L138-V140 PolarHBondContact O-N 2.99Å
139R96.7Very high97.1Very high139 Ų13965 Ų6553%0.52533%0.325SS..THydrogen-bonded Turntrans53.236.5-175-52.8179.5178.3-169.8-0.6112.6N101 L103 G104 G105 S135 R136 Q137N101-R139 PolarHBondContact ND2-O 3.42Å; L103-R139 HydrophobicContact CB-CB 4.1Å; L103-R139 WeakPolarHBondContact O-CB 3.28Å; L103-R139 VanDerWaalsContact O-CD 3.3Å; L103-R139 WeakPolarHBondContact O-CD 3.34Å; L103-R139 WeakPolarHBondContact O-CG 3.27Å; G104-R139 WeakPolarHBondContact O-CD 3.41Å; G104-R139 PolarHBondContact O-NH1 2.89Å; G105-R139 WeakPolarHBondContact CA-O 3.43Å; S135-R139 CarbonylContact O-C 3.55Å; S135-R139 VanDerWaalsContact O-CA 3.27Å; S135-R139 WeakPolarHBondContact O-CA 3.15Å; S135-R139 PolarHBondContact O-N 3.29Å; R136-R139 PolarHBondContact O-N 3.36Å; Q137-R139 VanDerWaalsContact C-N 3.33Å
140V96.5Very high97.1Very high10 Ų1064.5 Ų64.56%0.06133%0.328CS..  trans-104.6140.4177.4174.40000108.3L103 L113 V117 I121 S135 L138 H142 C144 V145L103-V140 WeakPolarHBondContact CD1-O 3.22Å; L113-V140 HydrophobicContact CD1-CG2 4.33Å; L113-V140 HydrophobicContact CD2-CG1 4.07Å; L113-V140 HydrophobicContact CD2-CG2 3.96Å; V117-V140 HydrophobicContact CG1-CG2 3.82Å; I121-V140 HydrophobicContact CD1-CG1 4.33Å; S135-V140 WeakPolarHBondContact CA-O 3.43Å; S135-V140 WeakPolarHBondContact CB-O 3.4Å; S135-V140 PolarHBondContact O-N 2.78Å; S135-V140 PolarHBondContact OG-O 2.94Å; L138-V140 HydrophobicContact CB-CG2 4.07Å; L138-V140 PolarHBondContact O-N 2.99Å; V140-H142 PolarHBondContact O-N 3.29Å; V140-C144 HydrophobicContact CG1-CB 3.65Å; V140-V145 HydrophobicContact CB-CG2 4.11Å; V140-V145 HydrophobicContact CG1-CG2 3.89Å
141S96.6Very high97Very high64 Ų6460.4 Ų60.445%0.44831%0.312SS..  trans-58.6140.1179.867.70000111.6G143 C144 V145S141-G143 PolarHBondContact O-N 3.1Å; S141-C144 WeakPolarHBondContact O-CA 3.47Å; S141-C144 WeakPolarHBondContact O-CB 3.18Å; S141-C144 PolarHBondContact O-N 3.44Å; S141-C144 WeakPolarHBondContact OG-CB 3.26Å; S141-C144 PolarHBondContact OG-N 3.18Å; S141-V145 PolarHBondContact O-N 3.44Å; S141-V145 VanDerWaalsContact O-N 3.1Å
142H97.2Very high97Very high108 Ų10859.9 Ų59.950%0.530%0.303SS..Hα-helixtrans-53.1-40.7-179.4-179.6-98.5000112.3S135 V140 C144 V145 S146S135-H142 PolarHBondContact OG-N 3.11Å; V140-H142 PolarHBondContact O-N 3.29Å; H142-C144 VanDerWaalsContact C-N 3.31Å; H142-C144 PolarHBondContact O-N 3.03Å; H142-V145 PolarHBondContact O-N 3.31Å; H142-S146 WeakPolarHBondContact O-CB 3.49Å; H142-S146 PolarHBondContact O-N 3.39Å
143G96.8Very high97Very high38 Ų3865.1 Ų65.139%0.39232%0.317SS..Hα-helixtrans-63.6-31.3175.700000114S141 K147S141-G143 PolarHBondContact O-N 3.1Å; G143-K147 VanDerWaalsContact O-CG 3.26Å; G143-K147 WeakPolarHBondContact O-CG 3.45Å; G143-K147 PolarHBondContact O-N 3.1Å
144C96.4Very high96.9Very high34 Ų3469.9 Ų69.923%0.2334%0.338CS..Hα-helixtrans-72.8-44.4174.1-176.90000111.2V140 S141 H142 S146 K147 I148V140-C144 HydrophobicContact CG1-CB 3.65Å; S141-C144 WeakPolarHBondContact O-CA 3.47Å; S141-C144 WeakPolarHBondContact O-CB 3.18Å; S141-C144 PolarHBondContact O-N 3.44Å; S141-C144 WeakPolarHBondContact OG-CB 3.26Å; S141-C144 PolarHBondContact OG-N 3.18Å; H142-C144 VanDerWaalsContact C-N 3.31Å; H142-C144 PolarHBondContact O-N 3.03Å; C144-S146 VanDerWaalsContact C-N 3.34Å; C144-S146 PolarHBondContact O-N 3.48Å; C144-K147 PolarHBondContact O-N 2.86Å; C144-I148 WeakPolarHBondContact O-CG1 3.34Å; C144-I148 PolarHBondContact O-N 3.26Å
145V97.8Very high96.8Very high0 Ų074 Ų740%036%0.363CS..Hα-helixtrans-56.7-48.7175176.90000110.6I121 P131 I134 V140 S141 H142 K147 I148 L149I121-V145 HydrophobicContact CD1-CG2 4.3Å; I121-V145 HydrophobicContact CG2-CG1 4.02Å; P131-V145 HydrophobicContact CB-CG1 4.36Å; I134-V145 HydrophobicContact CB-CG1 4.32Å; I134-V145 HydrophobicContact CG2-CG1 4.05Å; I134-V145 HydrophobicContact CG2-CG2 4.35Å; V140-V145 HydrophobicContact CB-CG2 4.11Å; V140-V145 HydrophobicContact CG1-CG2 3.89Å; S141-V145 PolarHBondContact O-N 3.44Å; S141-V145 VanDerWaalsContact O-N 3.1Å; H142-V145 PolarHBondContact O-N 3.31Å; V145-K147 PolarHBondContact O-N 3.17Å; V145-I148 PolarHBondContact O-N 3.04Å; V145-L149 HydrophobicContact CG1-CD1 3.88Å; V145-L149 HydrophobicContact CG1-CG 4.37Å; V145-L149 WeakPolarHBondContact O-CG 3.43Å; V145-L149 PolarHBondContact O-N 3.38Å
146S97.6Very high96.6Very high69 Ų6975.9 Ų75.948%0.48338%0.384SS..Hα-helixtrans-58.7-44.7178.1175.40000112.6H142 C144 I148 L149 G150H142-S146 WeakPolarHBondContact O-CB 3.49Å; H142-S146 PolarHBondContact O-N 3.39Å; C144-S146 VanDerWaalsContact C-N 3.34Å; C144-S146 PolarHBondContact O-N 3.48Å; S146-I148 VanDerWaalsContact C-N 3.35Å; S146-I148 PolarHBondContact O-N 3.49Å; S146-L149 PolarHBondContact O-N 2.94Å; S146-G150 PolarHBondContact O-N 3.05Å
147K97.1Very high96.5Very high164 Ų16469.6 Ų69.671%0.71337%0.367SS*.Hα-helixtrans-63.3-38176.6-73.4175.2-158.1-1780113.2G143 C144 V145 R151G143-K147 VanDerWaalsContact O-CG 3.26Å; G143-K147 WeakPolarHBondContact O-CG 3.45Å; G143-K147 PolarHBondContact O-N 3.1Å; C144-K147 PolarHBondContact O-N 2.86Å; V145-K147 PolarHBondContact O-N 3.17Å; K147-R151 PolarHBondContact O-N 3.08Å; K147-R151 VanDerWaalsContact O-N 3.17Å
148I97.2Very high96.4Very high5 Ų566.1 Ų66.13%0.02635%0.352CS..Hα-helixtrans-69.7-47.8-179.6-68.4170.5000110L113 R118 I121 V122 C144 V145 S146 Y152L113-I148 HydrophobicContact CD2-CD1 3.93Å; R118-I148 HydrophobicContact CG-CD1 4Å; I121-I148 HydrophobicContact CD1-CD1 3.57Å; I121-I148 HydrophobicContact CG2-CB 4.44Å; I121-I148 HydrophobicContact CG2-CG2 4.1Å; V122-I148 HydrophobicContact CG2-CG2 4.42Å; C144-I148 WeakPolarHBondContact O-CG1 3.34Å; C144-I148 PolarHBondContact O-N 3.26Å; V145-I148 PolarHBondContact O-N 3.04Å; S146-I148 VanDerWaalsContact C-N 3.35Å; S146-I148 PolarHBondContact O-N 3.49Å; I148-Y152 WeakPolarHBondContact O-CB 3.45Å; I148-Y152 PolarHBondContact O-N 3.41Å
149L97.5Very high96.4Very high10 Ų1070.8 Ų70.85%0.05237%0.371CS..Hα-helixtrans-65.2-43.6178.8-66.8178.6000111.7I121 V122 A125 P131 V145 S146 R151 Y152 Y153I121-L149 HydrophobicContact CG2-CD2 3.84Å; I121-L149 HydrophobicContact CG2-CG 3.97Å; V122-L149 HydrophobicContact CG2-CD2 4.43Å; A125-L149 HydrophobicContact CB-CD1 4.07Å; A125-L149 HydrophobicContact CB-CD2 3.48Å; A125-L149 VanDerWaalsContact CB-CD2 3.48Å; A125-L149 HydrophobicContact CB-CG 4.45Å; P131-L149 HydrophobicContact CB-CD1 4.4Å; P131-L149 HydrophobicContact CG-CD1 4.22Å; V145-L149 HydrophobicContact CG1-CD1 3.88Å; V145-L149 HydrophobicContact CG1-CG 4.37Å; V145-L149 WeakPolarHBondContact O-CG 3.43Å; V145-L149 PolarHBondContact O-N 3.38Å; S146-L149 PolarHBondContact O-N 2.94Å; L149-R151 PolarHBondContact O-N 3.11Å; L149-Y152 PolarHBondContact O-N 2.87Å; L149-Y152 VanDerWaalsContact O-N 3.13Å; L149-Y153 HydrophobicContact CB-CD2 4.39Å; L149-Y153 HydrophobicContact CB-CE2 3.9Å; L149-Y153 WeakPolarHBondContact O-CD2 3.39Å; L149-Y153 PolarHBondContact O-N 2.71Å
150G96.7Very high96.2Very high26 Ų2666.1 Ų66.127%0.26836%0.358SS..Hα-helixtrans-55.2-53175.400000112S146 Y152 Y153 E154S146-G150 PolarHBondContact O-N 3.05Å; G150-Y152 VanDerWaalsContact C-N 3.31Å; G150-Y152 PolarHBondContact O-N 3.46Å; G150-Y153 PolarHBondContact O-N 3.05Å; G150-E154 WeakPolarHBondContact O-CG 3.48Å; G150-E154 PolarHBondContact O-N 3.44Å; G150-E154 VanDerWaalsContact O-N 3.07Å
151R96.3Very high95.9Very high88 Ų8867.5 Ų67.533%0.33238%0.375SS..Hα-helixtrans-60.6-40.7175.4-174.7-167.3-70.4153.31.9112.2K147 L149 Y153 E154 T155 K159K147-R151 PolarHBondContact O-N 3.08Å; K147-R151 VanDerWaalsContact O-N 3.17Å; L149-R151 PolarHBondContact O-N 3.11Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.39Å; R151-E154 PolarHBondContact O-N 3.09Å; R151-T155 HydrophobicContact CG-CG2 4.07Å; R151-T155 WeakPolarHBondContact CG-OG1 3.41Å; R151-T155 WeakPolarHBondContact O-CB 3.23Å; R151-T155 PolarHBondContact O-N 3.3Å; R151-T155 PolarHBondContact O-OG1 3.38Å; R151-K159 PolarHBondContact NH1-O 2.87Å
152Y97.3Very high95.7Very high48 Ų4871.6 Ų71.619%0.18840%0.396CS..Hα-helixtrans-62.7-41-179.2179.9-104.7000111.5V122 K126 I148 L149 G150 E154 G156 I158V122-Y152 HydrophobicContact CG1-CD1 3.81Å; V122-Y152 HydrophobicContact CG1-CD2 4.15Å; V122-Y152 HydrophobicContact CG1-CE1 3.5Å; V122-Y152 VanDerWaalsContact CG1-CE1 3.5Å; V122-Y152 HydrophobicContact CG1-CE2 3.89Å; V122-Y152 HydrophobicContact CG1-CG 4.12Å; V122-Y152 HydrophobicContact CG2-CD1 4.21Å; V122-Y152 HydrophobicContact CG2-CD2 4.07Å; V122-Y152 HydrophobicContact CG2-CG 3.88Å; K126-Y152 WeakPolarHBondContact CE-OH 3.34Å; K126-Y152 PolarHBondContact NZ-OH 3.5Å; I148-Y152 WeakPolarHBondContact O-CB 3.45Å; I148-Y152 PolarHBondContact O-N 3.41Å; L149-Y152 PolarHBondContact O-N 2.87Å; L149-Y152 VanDerWaalsContact O-N 3.13Å; G150-Y152 VanDerWaalsContact C-N 3.31Å; G150-Y152 PolarHBondContact O-N 3.46Å; Y152-E154 VanDerWaalsContact C-N 3.35Å; Y152-G156 WeakPolarHBondContact CE2-O 3.46Å; Y152-G156 WeakPolarHBondContact O-CA 3.36Å; Y152-G156 PolarHBondContact O-N 3.07Å; Y152-I158 HydrophobicContact CD2-CG2 4.02Å; Y152-I158 HydrophobicContact CE2-CG2 4.24Å
153Y96.6Very high95.2Very high154 Ų15472.2 Ų72.260%0.60440%0.402SS*.Hα-helixtrans-71-29.4176.4-61.5-47.1000113.1L149 G150 R151L149-Y153 HydrophobicContact CB-CD2 4.39Å; L149-Y153 HydrophobicContact CB-CE2 3.9Å; L149-Y153 WeakPolarHBondContact O-CD2 3.39Å; L149-Y153 PolarHBondContact O-N 2.71Å; G150-Y153 PolarHBondContact O-N 3.05Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.39Å
154E96.3Very high94.7Very high162 Ų16273.5 Ų73.576%0.75742%0.416SS*.Hα-helixtrans-79.5-40.2176.8-70.6167-165.400113.6G150 R151 Y152G150-E154 WeakPolarHBondContact O-CG 3.48Å; G150-E154 PolarHBondContact O-N 3.44Å; G150-E154 VanDerWaalsContact O-N 3.07Å; R151-E154 PolarHBondContact O-N 3.09Å; Y152-E154 VanDerWaalsContact C-N 3.35Å
155T94.8Very high94.3Very high85 Ų8575.9 Ų75.952%0.52145%0.446SS..Hα-helixtrans-117.6-15.9-167.566.40000114.3R151 S157R151-T155 HydrophobicContact CG-CG2 4.07Å; R151-T155 WeakPolarHBondContact CG-OG1 3.41Å; R151-T155 WeakPolarHBondContact O-CB 3.23Å; R151-T155 PolarHBondContact O-N 3.3Å; R151-T155 PolarHBondContact O-OG1 3.38Å; T155-S157 PolarHBondContact O-N 3.27Å; T155-S157 VanDerWaalsContact O-N 3.16Å; T155-S157 PolarHBondContact OG1-N 2.99Å; T155-S157 VanDerWaalsContact OG1-N 3.16Å
156G94.5Very high93.8Very high50 Ų5081.1 Ų81.152%0.51548%0.482SS..SBendtrans69.5-1.8-169.100000114.7Y152Y152-G156 WeakPolarHBondContact CE2-O 3.46Å; Y152-G156 WeakPolarHBondContact O-CA 3.36Å; Y152-G156 PolarHBondContact O-N 3.07Å
157S94.7Very high93Very high47 Ų4785.7 Ų85.733%0.32949%0.493SS..  trans-99.6128.6-174.6-176.10000112.4T155 K159T155-S157 PolarHBondContact O-N 3.27Å; T155-S157 VanDerWaalsContact O-N 3.16Å; T155-S157 PolarHBondContact OG1-N 2.99Å; T155-S157 VanDerWaalsContact OG1-N 3.16Å; S157-K159 VanDerWaalsContact C-N 3.29Å; S157-K159 PolarHBondContact OG-N 3.05Å; S157-K159 VanDerWaalsContact OG-N 3.13Å
158I94.6Very high92Very high42 Ų4282 Ų8222%0.21549%0.486CS..  trans-78-15.7169.168.3176.3000111.9R118 Q119 V122 Y152R118-I158 PolarHBondContact NE-O 3.12Å; R118-I158 PolarHBondContact NH2-O 3.03Å; Q119-I158 HydrophobicContact CB-CD1 4.29Å; Q119-I158 VanDerWaalsContact OE1-CD1 3.28Å; V122-I158 HydrophobicContact CG2-CG2 4.04Å; Y152-I158 HydrophobicContact CD2-CG2 4.02Å; Y152-I158 HydrophobicContact CE2-CG2 4.24Å
159K94.6Very high90.9Very high144 Ų14491 Ų9163%0.62653%0.525SS*.SBendtrans-68.8142.9-170.6-71-179.5173.5172.30111.5R151 S157R151-K159 PolarHBondContact NH1-O 2.87Å; S157-K159 VanDerWaalsContact C-N 3.29Å; S157-K159 PolarHBondContact OG-N 3.05Å; S157-K159 VanDerWaalsContact OG-N 3.13Å
160P93.2Very high89.6Confident41 Ų4193.2 Ų93.227%0.26654%0.539SS..PPolyproline II helixtrans-58.1146.7168.625.8-32.3000110.3P112P112-P160 HydrophobicContact CB-CB 3.56Å; P112-P160 HydrophobicContact CB-CG 3.86Å; P112-P160 HydrophobicContact CG-CB 4.11Å; P112-P160 HydrophobicContact CG-CG 4Å
161G91.2Very high88.8Confident39 Ų3993.2 Ų93.240%0.40254%0.537SS..PPolyproline II helixtrans-64.2158.3168.100000109.8I163G161-I163 PolarHBondContact O-N 3.02Å
162V91.4Very high88.3Confident149 Ų14992.2 Ų92.290%0.90354%0.54SS*.PPolyproline II helixtrans-63.4120.1177-178.20000108.7
163I87.6Confident87.9Confident122 Ų12296.2 Ų96.263%0.62657%0.565SS**PPolyproline II helixtrans-99133.3178-61.5170.6000108.1P112 G161P112-I163 HydrophobicContact CB-CD1 4.5Å; P112-I163 HydrophobicContact CG-CD1 4.44Å; G161-I163 PolarHBondContact O-N 3.02Å
164G86.2Confident87.7Confident65 Ų6597 Ų9767%0.6757%0.572SS**  trans85-173.4179.700000113.3
165G87.1Confident87.6Confident84 Ų8489.6 Ų89.687%0.86654%0.537SS*.  trans96.6159.6-168.600000112.3
166S87.3Confident87.5Confident110 Ų11087.1 Ų87.177%0.76952%0.522SS*.  trans-122.4145.5172.960.40000108.7
167K80.9Confident87.4Confident164 Ų16488.2 Ų88.271%0.71352%0.522SS*.  trans-64.4138.6169.2-66-179.4179.6179.10108.2K169K167-K169 PolarHBondContact O-N 3.12Å; K167-K169 VanDerWaalsContact O-N 3.14Å
168P75.8Confident87.4Confident86 Ų8686.8 Ų86.856%0.55851%0.513SS*.  trans-60.9119.4179.724.2-32.5000109.9A171P168-A171 HydrophobicContact CB-CB 4.29Å
169K73.5Confident87.4Confident195 Ų19584.9 Ų84.985%0.84850%0.503SS*.SBendtrans-75.7-43-178.1-69.1-173175.1-174.20113.1K167K167-K169 PolarHBondContact O-N 3.12Å; K167-K169 VanDerWaalsContact O-N 3.14Å
170V70.2Confident87.4Confident57 Ų5779.2 Ų79.235%0.34548%0.483SS..SBendtrans-117.4-27.2-171-173.80000111.7T172 N208 P210V170-T172 PolarHBondContact O-N 3.41Å; V170-N208 VanDerWaalsContact CG1-O 3.23Å; V170-N208 WeakPolarHBondContact CG1-O 3.33Å; V170-P210 HydrophobicContact CG1-CB 4.02Å
171A80Confident87.5Confident26 Ų2678.6 Ų78.622%0.21548%0.484CS..  trans-84.659.4177.400000111.1P168 V176 I218P168-A171 HydrophobicContact CB-CB 4.29Å; A171-V176 HydrophobicContact CB-CG2 3.95Å; A171-I218 HydrophobicContact CB-CD1 4.09Å
172T86.8Confident87.7Confident67 Ų6777.3 Ų77.341%0.41147%0.467SS..  trans-62.2151.3173.6660000110.2V170 K174 V175 V176V170-T172 PolarHBondContact O-N 3.41Å; T172-K174 PolarHBondContact O-N 3.31Å; T172-K174 VanDerWaalsContact O-N 3.1Å; T172-V175 PolarHBondContact O-N 3.5Å; T172-V175 VanDerWaalsContact OG1-CG2 3.3Å; T172-V175 WeakPolarHBondContact OG1-CG2 3.32Å; T172-V176 WeakPolarHBondContact O-CG2 3.44Å; T172-V176 PolarHBondContact O-N 3.19Å
173N89.4Confident87.8Confident132 Ų13272.8 Ų72.871%0.70644%0.435SS*.Hα-helixtrans-56.8-31-177.9-71.4-2.2000112.9S177N173-S177 VanDerWaalsContact O-CB 3.3Å; N173-S177 WeakPolarHBondContact O-CB 3.03Å; N173-S177 PolarHBondContact O-N 3.17Å; N173-S177 PolarHBondContact O-OG 2.85Å
174K91.4Very high88.1Confident171 Ų17175.9 Ų75.974%0.74344%0.444SS*.Hα-helixtrans-63.3-52.7174.5-66.5-173.2178.1-1750111.3T172 V176 S177 A178T172-K174 PolarHBondContact O-N 3.31Å; T172-K174 VanDerWaalsContact O-N 3.1Å; K174-V176 PolarHBondContact O-N 3.07Å; K174-S177 PolarHBondContact O-N 3.28Å; K174-A178 PolarHBondContact O-N 3.27Å
175V93.4Very high88.5Confident6 Ų678.7 Ų78.74%0.03644%0.44CS..Hα-helixtrans-62.1-44.7179.2176.40000111T172 S177 A178 I179 L198 I203 C204 P210T172-V175 PolarHBondContact O-N 3.5Å; T172-V175 VanDerWaalsContact OG1-CG2 3.3Å; T172-V175 WeakPolarHBondContact OG1-CG2 3.32Å; V175-S177 VanDerWaalsContact C-N 3.28Å; V175-S177 PolarHBondContact O-N 2.91Å; V175-A178 PolarHBondContact O-N 3.48Å; V175-I179 HydrophobicContact CG1-CD1 3.79Å; V175-I179 HydrophobicContact CG1-CG1 4.38Å; V175-I179 VanDerWaalsContact O-CG1 3.27Å; V175-I179 WeakPolarHBondContact O-CG1 3.17Å; V175-I179 PolarHBondContact O-N 3.13Å; V175-L198 HydrophobicContact CG1-CD1 4.2Å; V175-L198 HydrophobicContact CG1-CD2 4.38Å; V175-I203 HydrophobicContact CG2-CG2 4.15Å; V175-C204 WeakPolarHBondContact CG2-SG 3.1Å; V175-P210 HydrophobicContact CG1-CG 3.96Å
176V93.4Very high88.8Confident32 Ų3278 Ų7819%0.19442%0.416CS..Hα-helixtrans-60.9-38.2177.3173.80000111.4A171 T172 K174 A180 I218 K222A171-V176 HydrophobicContact CB-CG2 3.95Å; T172-V176 WeakPolarHBondContact O-CG2 3.44Å; T172-V176 PolarHBondContact O-N 3.19Å; K174-V176 PolarHBondContact O-N 3.07Å; V176-A180 PolarHBondContact O-N 3.36Å; V176-I218 HydrophobicContact CB-CG2 4.46Å; V176-I218 HydrophobicContact CG1-CG2 4.03Å; V176-I218 HydrophobicContact CG2-CD1 4.28Å; V176-I218 HydrophobicContact CG2-CG2 4.3Å; V176-K222 HydrophobicContact CG1-CD 3.79Å; V176-K222 PolarHBondContact O-NZ 3.24Å
177S93.1Very high89.1Confident74 Ų7477.3 Ų77.352%0.51741%0.409SS..Hα-helixtrans-68.5-46176.6-61.40000111.9N173 K174 V175 A180 G181N173-S177 VanDerWaalsContact O-CB 3.3Å; N173-S177 WeakPolarHBondContact O-CB 3.03Å; N173-S177 PolarHBondContact O-N 3.17Å; N173-S177 PolarHBondContact O-OG 2.85Å; K174-S177 PolarHBondContact O-N 3.28Å; V175-S177 VanDerWaalsContact C-N 3.28Å; V175-S177 PolarHBondContact O-N 2.91Å; S177-A180 PolarHBondContact O-N 3.13Å; S177-G181 PolarHBondContact O-N 2.82Å
178A94.2Very high89.8Confident17 Ų1775 Ų7514%0.1441%0.409CS..Hα-helixtrans-59.5-46.9176.700000112.4K174 V175 A180 G181 Y182 L198 I203K174-A178 PolarHBondContact O-N 3.27Å; V175-A178 PolarHBondContact O-N 3.48Å; A178-A180 PolarHBondContact O-N 2.72Å; A178-G181 WeakPolarHBondContact O-CA 3.33Å; A178-G181 PolarHBondContact O-N 3.47Å; A178-Y182 HydrophobicContact CB-CE2 4.05Å; A178-Y182 WeakPolarHBondContact O-CD2 3.32Å; A178-Y182 PolarHBondContact O-N 3.16Å; A178-L198 HydrophobicContact CB-CD2 3.87Å; A178-I203 HydrophobicContact CB-CD1 3.53Å; A178-I203 HydrophobicContact CB-CG2 4.41Å
179I95.2Very high90.7Very high1 Ų171.5 Ų71.51%0.00539%0.386CS..Hα-helixtrans-54.8-41.4176.4-69.8167.7000111.4V175 K183 I194 L198 P210 I215 I218 V219V175-I179 HydrophobicContact CG1-CD1 3.79Å; V175-I179 HydrophobicContact CG1-CG1 4.38Å; V175-I179 VanDerWaalsContact O-CG1 3.27Å; V175-I179 WeakPolarHBondContact O-CG1 3.17Å; V175-I179 PolarHBondContact O-N 3.13Å; I179-K183 PolarHBondContact O-N 3.49Å; I179-I194 HydrophobicContact CB-CG2 4.42Å; I179-I194 HydrophobicContact CG1-CG2 3.87Å; I179-I194 HydrophobicContact CG2-CG2 4.33Å; I179-L198 HydrophobicContact CD1-CD1 4.2Å; I179-L198 HydrophobicContact CG1-CD1 3.9Å; I179-L198 HydrophobicContact CG1-CD2 4.48Å; I179-P210 HydrophobicContact CD1-CG 4.34Å; I179-I215 HydrophobicContact CD1-CG1 4.18Å; I179-I215 HydrophobicContact CD1-CG2 4.46Å; I179-I215 HydrophobicContact CG2-CG2 4.19Å; I179-I218 HydrophobicContact CB-CG2 4.4Å; I179-I218 HydrophobicContact CD1-CB 4.47Å; I179-I218 HydrophobicContact CD1-CD1 3.66Å; I179-I218 HydrophobicContact CD1-CG2 4.2Å; I179-I218 HydrophobicContact CG2-CG2 4.05Å; I179-V219 HydrophobicContact CG2-CG2 3.77Å
180A94.1Very high91.8Very high26 Ų2668.4 Ų68.422%0.21537%0.372CS..Hα-helixtrans-74.5-30.8175.400000113.7V176 S177 A178 K184 K222V176-A180 PolarHBondContact O-N 3.36Å; S177-A180 PolarHBondContact O-N 3.13Å; A178-A180 PolarHBondContact O-N 2.72Å; A180-K184 WeakPolarHBondContact O-CB 3.42Å; A180-K184 PolarHBondContact O-N 3.16Å; A180-K222 HydrophobicContact CB-CD 3.8Å
181G94.9Very high93Very high27 Ų2766 Ų6628%0.27836%0.358SS..Hα-helixtrans-57.9-52171.100000110.7S177 A178 K183 K184 Q185S177-G181 PolarHBondContact O-N 2.82Å; A178-G181 WeakPolarHBondContact O-CA 3.33Å; A178-G181 PolarHBondContact O-N 3.47Å; G181-K183 PolarHBondContact O-N 2.83Å; G181-K184 PolarHBondContact O-N 2.83Å; G181-Q185 WeakPolarHBondContact O-CG 3.5Å; G181-Q185 PolarHBondContact O-N 3.01Å
182Y95.8Very high93.8Very high13 Ų1371 Ų715%0.05137%0.372CS..Hα-helixtrans-63-43.5178.8-56-44.8000112.7A178 K184 Q185 N186 I194 R197 L198 D201 I203A178-Y182 HydrophobicContact CB-CE2 4.05Å; A178-Y182 WeakPolarHBondContact O-CD2 3.32Å; A178-Y182 PolarHBondContact O-N 3.16Å; Y182-K184 VanDerWaalsContact C-N 3.31Å; Y182-K184 PolarHBondContact O-N 2.86Å; Y182-Q185 PolarHBondContact O-N 3.42Å; Y182-N186 PolarHBondContact O-N 3.06Å; Y182-I194 HydrophobicContact CD2-CG2 4.18Å; Y182-R197 HydrophobicContact CD2-CB 4.44Å; Y182-R197 HydrophobicContact CE2-CB 4.18Å; Y182-L198 HydrophobicContact CE2-CD2 3.79Å; Y182-L198 HydrophobicContact CE2-CG 4.03Å; Y182-D201 WeakPolarHBondContact CE1-OD2 3.35Å; Y182-D201 VanDerWaalsContact CZ-OD2 3.29Å; Y182-D201 VanDerWaalsContact OH-CG 3.27Å; Y182-D201 PolarHBondContact OH-OD2 2.78Å; Y182-I203 VanDerWaalsContact OH-CD1 3.23Å; Y182-I203 WeakPolarHBondContact OH-CD1 3.39Å
183K94.4Very high94.3Very high53 Ų5370.9 Ų70.923%0.2337%0.366CS..Hα-helixtrans-66.9-29.4175.2-85.1-58-157174.90113.8I179 G181 N186 P187 M189 I194 V219I179-K183 PolarHBondContact O-N 3.49Å; G181-K183 PolarHBondContact O-N 2.83Å; K183-N186 CarbonylContact O-C 3.49Å; K183-P187 PolarHBondContact NZ-O 3.39Å; K183-P187 WeakPolarHBondContact O-CA 3.36Å; K183-M189 VanDerWaalsContact CE-O 3.22Å; K183-M189 WeakPolarHBondContact CE-O 3.49Å; K183-M189 PolarHBondContact NZ-O 3.12Å; K183-I194 HydrophobicContact CD-CD1 3.91Å; K183-I194 HydrophobicContact CG-CD1 3.74Å; K183-V219 HydrophobicContact CG-CG1 4.23Å; K183-V219 HydrophobicContact CG-CG2 3.91Å
184K93.7Very high94.6Very high187 Ų18764.6 Ų64.681%0.81333%0.333SS*.Hα-helixtrans-73.6-38.2175.4-175.6-178.8178.4-172.60111.3A180 G181 Y182A180-K184 WeakPolarHBondContact O-CB 3.42Å; A180-K184 PolarHBondContact O-N 3.16Å; G181-K184 PolarHBondContact O-N 2.83Å; Y182-K184 VanDerWaalsContact C-N 3.31Å; Y182-K184 PolarHBondContact O-N 2.86Å
185Q94.6Very high94.9Very high124 Ų12460.7 Ų60.758%0.57931%0.313SS*.Hα-helixtrans-69.8-49.1176.3-69.9168.210.300110.9G181 Y182G181-Q185 WeakPolarHBondContact O-CG 3.5Å; G181-Q185 PolarHBondContact O-N 3.01Å; Y182-Q185 PolarHBondContact O-N 3.42Å
186N93.4Very high95Very high69 Ų6963.4 Ų63.437%0.36933%0.328SS..  trans-13293.8-176.8-66-29.7000110Y182 K183 T188 M189Y182-N186 PolarHBondContact O-N 3.06Å; K183-N186 CarbonylContact O-C 3.49Å; N186-T188 PolarHBondContact O-N 3.27Å; N186-M189 HydrophobicContact CB-CB 4.05Å; N186-M189 HydrophobicContact CB-CE 4.15Å; N186-M189 VanDerWaalsContact O-CB 3.27Å; N186-M189 WeakPolarHBondContact O-CB 3.37Å; N186-M189 PolarHBondContact O-N 2.74Å; N186-M189 VanDerWaalsContact O-N 3.13Å
187P93.7Very high95.1Very high96 Ų9666.8 Ų66.862%0.62334%0.337SS*.THydrogen-bonded Turntrans-65-25.9-178.324.2-33.2000113.2K183 M189K183-P187 PolarHBondContact NZ-O 3.39Å; K183-P187 WeakPolarHBondContact O-CA 3.36Å; P187-M189 VanDerWaalsContact C-N 3.28Å; P187-M189 PolarHBondContact O-N 3.27Å
188T94.5Very high95.2Very high116 Ų11663.3 Ų63.371%0.71231%0.313SS*.THydrogen-bonded Turntrans-73.7-1517754.50000113.6N186 F190N186-T188 PolarHBondContact O-N 3.27Å; T188-F190 PolarHBondContact O-N 3.33Å
189M94.6Very high95.3Very high13 Ų1365.3 Ų65.36%0.06432%0.321CS..  trans-62124.7-175-172.6-177-76.600111.5K183 N186 P187 E193 I194 R197K183-M189 VanDerWaalsContact CE-O 3.22Å; K183-M189 WeakPolarHBondContact CE-O 3.49Å; K183-M189 PolarHBondContact NZ-O 3.12Å; N186-M189 HydrophobicContact CB-CB 4.05Å; N186-M189 HydrophobicContact CB-CE 4.15Å; N186-M189 VanDerWaalsContact O-CB 3.27Å; N186-M189 WeakPolarHBondContact O-CB 3.37Å; N186-M189 PolarHBondContact O-N 2.74Å; N186-M189 VanDerWaalsContact O-N 3.13Å; P187-M189 VanDerWaalsContact C-N 3.28Å; P187-M189 PolarHBondContact O-N 3.27Å; M189-E193 VanDerWaalsContact CA-OE2 3.24Å; M189-E193 WeakPolarHBondContact CA-OE2 3.5Å; M189-E193 HydrophobicContact CG-CB 3.64Å; M189-E193 WeakPolarHBondContact CG-OE2 3.09Å; M189-E193 HydrophobicContact SD-CB 4.47Å; M189-I194 HydrophobicContact CG-CG1 3.85Å; M189-I194 HydrophobicContact SD-CG1 3.57Å; M189-I194 VanDerWaalsContact SD-CG1 3.57Å; M189-R197 HydrophobicContact CE-CG 4.32Å; M189-R197 HydrophobicContact SD-CG 4.36Å
190F96.2Very high95.3Very high129 Ų12969.2 Ų69.257%0.56635%0.353SS*.  trans-74.3159-178.8-66.3-75.5000112.2T188 W192 E193 I194T188-F190 PolarHBondContact O-N 3.33Å; F190-W192 VanDerWaalsContact C-N 3.27Å; F190-W192 HydrophobicContact CB-CG 4.34Å; F190-W192 VanDerWaalsContact CB-NE1 3.3Å; F190-W192 AromaticContact CG-NE1 3.78Å; F190-W192 PolarHBondContact O-N 3.02Å; F190-E193 HydrophobicContact CB-CG 4.2Å; F190-E193 PolarHBondContact N-OE2 3.2Å; F190-E193 WeakPolarHBondContact O-CB 3.5Å; F190-E193 PolarHBondContact O-N 3.5Å; F190-E193 VanDerWaalsContact O-N 3.12Å; F190-I194 WeakPolarHBondContact O-CG1 3.36Å; F190-I194 PolarHBondContact O-N 3.16Å
191A96.5Very high95.3Very high7 Ų772 Ų726%0.05837%0.365CS..Hα-helixtrans-65.9-27.8-177.300000113.9R195 V212 I215 N216A191-R195 PolarHBondContact O-N 3.34Å; A191-R195 VanDerWaalsContact O-N 3.11Å; A191-V212 HydrophobicContact CB-CG1 3.66Å; A191-I215 HydrophobicContact CB-CB 4.25Å; A191-I215 HydrophobicContact CB-CG2 3.91Å; A191-I215 WeakPolarHBondContact O-CD1 3.5Å; A191-N216 VanDerWaalsContact CB-OD1 3.28Å; A191-N216 WeakPolarHBondContact CB-OD1 3.32Å
192W96.3Very high95.1Very high132 Ų13273.7 Ų73.750%0.538%0.381SS..Hα-helixtrans-71.6-39.4171.864.4-94.3000111.1F190 I194 R195 D196 V212F190-W192 VanDerWaalsContact C-N 3.27Å; F190-W192 HydrophobicContact CB-CG 4.34Å; F190-W192 VanDerWaalsContact CB-NE1 3.3Å; F190-W192 AromaticContact CG-NE1 3.78Å; F190-W192 PolarHBondContact O-N 3.02Å; W192-I194 VanDerWaalsContact C-N 3.3Å; W192-I194 PolarHBondContact O-N 3.05Å; W192-R195 VanDerWaalsContact O-CB 3.28Å; W192-R195 WeakPolarHBondContact O-CB 3.45Å; W192-R195 PolarHBondContact O-N 3.44Å; W192-R195 VanDerWaalsContact O-N 3.12Å; W192-D196 VanDerWaalsContact O-CG 3.26Å; W192-D196 PolarHBondContact O-N 2.93Å; W192-V212 HydrophobicContact CB-CG2 4.27Å
193E97.6Very high94.9Very high63 Ų6376.2 Ų76.229%0.29440%0.395SS..Hα-helixtrans-62.7-38.6173.7-62.4176.214700111.6M189 F190 R195 D196 R197M189-E193 VanDerWaalsContact CA-OE2 3.24Å; M189-E193 WeakPolarHBondContact CA-OE2 3.5Å; M189-E193 HydrophobicContact CG-CB 3.64Å; M189-E193 WeakPolarHBondContact CG-OE2 3.09Å; M189-E193 HydrophobicContact SD-CB 4.47Å; F190-E193 HydrophobicContact CB-CG 4.2Å; F190-E193 PolarHBondContact N-OE2 3.2Å; F190-E193 WeakPolarHBondContact O-CB 3.5Å; F190-E193 PolarHBondContact O-N 3.5Å; F190-E193 VanDerWaalsContact O-N 3.12Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-D196 PolarHBondContact O-N 3.29Å; E193-R197 WeakPolarHBondContact O-CB 3.44Å; E193-R197 PolarHBondContact O-N 3.27Å
194I96.4Very high94.8Very high0 Ų074 Ų740%039%0.387CS..Hα-helixtrans-62.7-41.6174.2-68.5168.9000110.9I179 Y182 K183 M189 F190 W192 D196 R197 L198 I215I179-I194 HydrophobicContact CB-CG2 4.42Å; I179-I194 HydrophobicContact CG1-CG2 3.87Å; I179-I194 HydrophobicContact CG2-CG2 4.33Å; Y182-I194 HydrophobicContact CD2-CG2 4.18Å; K183-I194 HydrophobicContact CD-CD1 3.91Å; K183-I194 HydrophobicContact CG-CD1 3.74Å; M189-I194 HydrophobicContact CG-CG1 3.85Å; M189-I194 HydrophobicContact SD-CG1 3.57Å; M189-I194 VanDerWaalsContact SD-CG1 3.57Å; F190-I194 WeakPolarHBondContact O-CG1 3.36Å; F190-I194 PolarHBondContact O-N 3.16Å; W192-I194 VanDerWaalsContact C-N 3.3Å; W192-I194 PolarHBondContact O-N 3.05Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.38Å; I194-R197 PolarHBondContact O-N 3.45Å; I194-L198 HydrophobicContact CG2-CD1 4.17Å; I194-L198 HydrophobicContact CG2-CG 4.46Å; I194-L198 VanDerWaalsContact O-CG 3.28Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.03Å; I194-I215 HydrophobicContact CB-CG2 4.16Å; I194-I215 HydrophobicContact CD1-CG2 4.18Å; I194-I215 HydrophobicContact CG2-CD1 4.34Å; I194-I215 HydrophobicContact CG2-CG2 3.82Å
195R96Very high94.7Very high89 Ų8970 Ų7034%0.33637%0.374SS..Hα-helixtrans-59.6-46176.8-173.3-166.861-169.4-6.7110.7A191 W192 E193 L198 L199 V209 I215A191-R195 PolarHBondContact O-N 3.34Å; A191-R195 VanDerWaalsContact O-N 3.11Å; W192-R195 VanDerWaalsContact O-CB 3.28Å; W192-R195 WeakPolarHBondContact O-CB 3.45Å; W192-R195 PolarHBondContact O-N 3.44Å; W192-R195 VanDerWaalsContact O-N 3.12Å; E193-R195 VanDerWaalsContact C-N 3.33Å; R195-L198 WeakPolarHBondContact O-CB 3.33Å; R195-L198 PolarHBondContact O-N 3.18Å; R195-L199 PolarHBondContact O-N 2.88Å; R195-V209 HydrophobicContact CG-CG2 3.44Å; R195-V209 VanDerWaalsContact CG-CG2 3.44Å; R195-I215 HydrophobicContact CB-CD1 3.67Å; R195-I215 HydrophobicContact CG-CD1 4.29Å
196D96.3Very high94.5Very high64 Ų6471.5 Ų71.534%0.34238%0.38SS..Hα-helixtrans-71.5-36.3-176.7-57.6-10.7000110.9W192 E193 I194 L199 A200W192-D196 VanDerWaalsContact O-CG 3.26Å; W192-D196 PolarHBondContact O-N 2.93Å; E193-D196 PolarHBondContact O-N 3.29Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.38Å; D196-L199 PolarHBondContact O-N 3.2Å; D196-A200 WeakPolarHBondContact O-CB 3.48Å; D196-A200 PolarHBondContact O-N 3.1Å
197R95.5Very high94.4Very high103 Ų10375.2 Ų75.239%0.38940%0.4SS..Hα-helixtrans-59.4-42.6168.5-88.7-90.9-170.9165.20.9113.2Y182 M189 E193 I194 L199 A200 D201Y182-R197 HydrophobicContact CD2-CB 4.44Å; Y182-R197 HydrophobicContact CE2-CB 4.18Å; M189-R197 HydrophobicContact CE-CG 4.32Å; M189-R197 HydrophobicContact SD-CG 4.36Å; E193-R197 WeakPolarHBondContact O-CB 3.44Å; E193-R197 PolarHBondContact O-N 3.27Å; I194-R197 PolarHBondContact O-N 3.45Å; R197-L199 VanDerWaalsContact C-N 3.26Å; R197-L199 PolarHBondContact O-N 3.49Å; R197-A200 PolarHBondContact O-N 2.87Å; R197-D201 WeakPolarHBondContact O-CB 3.39Å; R197-D201 PolarHBondContact O-N 3.44Å
198L95.7Very high94.2Very high0 Ų075 Ų750%039%0.394CS..Hα-helixtrans-62.6-34.7178.7-76.1167.4000112.4V175 A178 I179 Y182 I194 R195 I203 C204 P210 I215V175-L198 HydrophobicContact CG1-CD1 4.2Å; V175-L198 HydrophobicContact CG1-CD2 4.38Å; A178-L198 HydrophobicContact CB-CD2 3.87Å; I179-L198 HydrophobicContact CD1-CD1 4.2Å; I179-L198 HydrophobicContact CG1-CD1 3.9Å; I179-L198 HydrophobicContact CG1-CD2 4.48Å; Y182-L198 HydrophobicContact CE2-CD2 3.79Å; Y182-L198 HydrophobicContact CE2-CG 4.03Å; I194-L198 HydrophobicContact CG2-CD1 4.17Å; I194-L198 HydrophobicContact CG2-CG 4.46Å; I194-L198 VanDerWaalsContact O-CG 3.28Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.03Å; R195-L198 WeakPolarHBondContact O-CB 3.33Å; R195-L198 PolarHBondContact O-N 3.18Å; L198-I203 HydrophobicContact CD2-CB 4.16Å; L198-I203 HydrophobicContact CD2-CD1 4.29Å; L198-I203 HydrophobicContact CD2-CG2 4.1Å; L198-I203 PolarHBondContact O-N 2.91Å; L198-I203 VanDerWaalsContact O-N 3.08Å; L198-C204 HydrophobicContact CB-CB 4.47Å; L198-C204 PolarHBondContact O-N 2.88Å; L198-P210 HydrophobicContact CD1-CG 4.07Å; L198-I215 HydrophobicContact CD1-CD1 4.5Å
199L95.4Very high94.1Very high60 Ų6070.8 Ų70.831%0.31437%0.368SS..Hα-helixtrans-73.4-43173.8-66.8170.8000111.1R195 D196 R197 D201 G202 C204 V209R195-L199 PolarHBondContact O-N 2.88Å; D196-L199 PolarHBondContact O-N 3.2Å; R197-L199 VanDerWaalsContact C-N 3.26Å; R197-L199 PolarHBondContact O-N 3.49Å; L199-D201 PolarHBondContact O-N 2.97Å; L199-G202 PolarHBondContact O-N 3.42Å; L199-G202 VanDerWaalsContact O-N 3.16Å; L199-C204 WeakPolarHBondContact CD2-O 3.49Å; L199-V209 HydrophobicContact CD2-CB 4.06Å; L199-V209 HydrophobicContact CD2-CG1 4.47Å; L199-V209 HydrophobicContact CD2-CG2 4.23Å; L199-V209 HydrophobicContact CG-CG2 4.19Å
200A95.1Very high94Very high82 Ų8270.3 Ų70.368%0.67837%0.366SS*.Hα-helixtrans-63.4-39.8179.800000113.1D196 R197 G202D196-A200 WeakPolarHBondContact O-CB 3.48Å; D196-A200 PolarHBondContact O-N 3.1Å; R197-A200 PolarHBondContact O-N 2.87Å; A200-G202 PolarHBondContact O-N 2.66Å
201D93.9Very high93.9Very high86 Ų8667.6 Ų67.646%0.4636%0.363SS..THydrogen-bonded Turntrans-80.4-0.2178.6-70.13.5000112.5Y182 R197 L199 I203Y182-D201 WeakPolarHBondContact CE1-OD2 3.35Å; Y182-D201 VanDerWaalsContact CZ-OD2 3.29Å; Y182-D201 VanDerWaalsContact OH-CG 3.27Å; Y182-D201 PolarHBondContact OH-OD2 2.78Å; R197-D201 WeakPolarHBondContact O-CB 3.39Å; R197-D201 PolarHBondContact O-N 3.44Å; L199-D201 PolarHBondContact O-N 2.97Å; D201-I203 HydrophobicContact CB-CD1 4.04Å; D201-I203 HydrophobicContact CB-CG1 3.92Å; D201-I203 PolarHBondContact O-N 3.2Å
202G91.8Very high93.8Very high61 Ų6169.6 Ų69.663%0.62937%0.374SS*.THydrogen-bonded Turntrans66.221.2-179.800000114.2L199 A200L199-G202 PolarHBondContact O-N 3.42Å; L199-G202 VanDerWaalsContact O-N 3.16Å; A200-G202 PolarHBondContact O-N 2.66Å
203I91.9Very high93.8Very high67 Ų6767.1 Ų67.134%0.34438%0.377SS..SBendtrans-78.6-32.6179.8-57.3-179.5000110.5V175 A178 Y182 L198 D201V175-I203 HydrophobicContact CG2-CG2 4.15Å; A178-I203 HydrophobicContact CB-CD1 3.53Å; A178-I203 HydrophobicContact CB-CG2 4.41Å; Y182-I203 VanDerWaalsContact OH-CD1 3.23Å; Y182-I203 WeakPolarHBondContact OH-CD1 3.39Å; L198-I203 HydrophobicContact CD2-CB 4.16Å; L198-I203 HydrophobicContact CD2-CD1 4.29Å; L198-I203 HydrophobicContact CD2-CG2 4.1Å; L198-I203 PolarHBondContact O-N 2.91Å; L198-I203 VanDerWaalsContact O-N 3.08Å; D201-I203 HydrophobicContact CB-CD1 4.04Å; D201-I203 HydrophobicContact CB-CG1 3.92Å; D201-I203 PolarHBondContact O-N 3.2Å
204C92Very high93.6Very high7 Ų765.7 Ų65.75%0.04737%0.374CS..SBendtrans-126.1145.3175.3-60.10000110.1V175 L198 L199 V209V175-C204 WeakPolarHBondContact CG2-SG 3.1Å; L198-C204 HydrophobicContact CB-CB 4.47Å; L198-C204 PolarHBondContact O-N 2.88Å; L199-C204 WeakPolarHBondContact CD2-O 3.49Å; C204-V209 HydrophobicContact CB-CB 4.03Å; C204-V209 HydrophobicContact CB-CG2 4.28Å
205D91.8Very high93.5Very high101 Ų10165.7 Ų65.754%0.5437%0.374SS..  trans-84.4171.5162.3-47.3-63.4000110.6D207 N208 V209D205-D207 PolarHBondContact O-N 3.22Å; D205-D207 VanDerWaalsContact O-N 3.15Å; D205-N208 HydrophobicContact CB-CB 4.49Å; D205-N208 PolarHBondContact O-N 2.85Å; D205-N208 VanDerWaalsContact O-N 3.08Å; D205-N208 PolarHBondContact OD2-ND2 3.35Å; D205-V209 PolarHBondContact O-N 3.02Å
206H90.9Very high93.5Very high156 Ų15664.6 Ų64.672%0.72238%0.375SS*.THydrogen-bonded Turntrans-59.6-26.8179.3-160.5-78.7000113.6V209H206-V209 WeakPolarHBondContact O-CG1 3.3Å
207D89.7Confident93.4Very high148 Ų14869.4 Ų69.479%0.79139%0.388SS*.THydrogen-bonded Turntrans-88.7-24.9177.6-60.1-40.2000113.2D205D205-D207 PolarHBondContact O-N 3.22Å; D205-D207 VanDerWaalsContact O-N 3.15Å
208N90Very high93.3Very high90 Ų9065.2 Ų65.248%0.48137%0.373SS..THydrogen-bonded Turntrans-97.4-5.2-174.8-70-30.5000112.6V170 D205V170-N208 VanDerWaalsContact CG1-O 3.23Å; V170-N208 WeakPolarHBondContact CG1-O 3.33Å; D205-N208 HydrophobicContact CB-CB 4.49Å; D205-N208 PolarHBondContact O-N 2.85Å; D205-N208 VanDerWaalsContact O-N 3.08Å; D205-N208 PolarHBondContact OD2-ND2 3.35Å
209V91.7Very high93.1Very high29 Ų2966.7 Ų66.718%0.17638%0.383CS..PPolyproline II helixtrans-72.6128.7-177.871.80000111.1R195 L199 C204 D205 H206R195-V209 HydrophobicContact CG-CG2 3.44Å; R195-V209 VanDerWaalsContact CG-CG2 3.44Å; L199-V209 HydrophobicContact CD2-CB 4.06Å; L199-V209 HydrophobicContact CD2-CG1 4.47Å; L199-V209 HydrophobicContact CD2-CG2 4.23Å; L199-V209 HydrophobicContact CG-CG2 4.19Å; C204-V209 HydrophobicContact CB-CB 4.03Å; C204-V209 HydrophobicContact CB-CG2 4.28Å; D205-V209 PolarHBondContact O-N 3.02Å; H206-V209 WeakPolarHBondContact O-CG1 3.3Å
210P92.8Very high92.9Very high2 Ų271.7 Ų71.71%0.01340%0.397CS..PPolyproline II helixtrans-67.2143.4176.826.4-33.4000111.3V170 V175 I179 L198 I215V170-P210 HydrophobicContact CG1-CB 4.02Å; V175-P210 HydrophobicContact CG1-CG 3.96Å; I179-P210 HydrophobicContact CD1-CG 4.34Å; L198-P210 HydrophobicContact CD1-CG 4.07Å; P210-I215 HydrophobicContact CB-CG1 4Å; P210-I215 HydrophobicContact CG-CD1 4.11Å; P210-I215 HydrophobicContact CG-CG1 3.68Å
211S94Very high92.6Very high73 Ų7372.5 Ų72.551%0.5139%0.39SS..PPolyproline II helixtrans-61.1154.8172.3690000111.6S213 S214 I215S211-S213 PolarHBondContact O-N 3.22Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S211-S214 WeakPolarHBondContact O-CA 3.44Å; S211-S214 VanDerWaalsContact O-CB 3.31Å; S211-S214 WeakPolarHBondContact O-CB 3.49Å; S211-S214 PolarHBondContact O-N 3.15Å; S211-S214 PolarHBondContact OG-N 3.25Å; S211-I215 PolarHBondContact O-N 2.59Å
212V95.9Very high92Very high49 Ų4970.7 Ų70.730%0.29738%0.378SS..Hα-helixtrans-52.6-39.6177.4-179.50000111.2A191 W192 I215 N216A191-V212 HydrophobicContact CB-CG1 3.66Å; W192-V212 HydrophobicContact CB-CG2 4.27Å; V212-I215 PolarHBondContact O-N 3.05Å; V212-N216 PolarHBondContact O-N 2.82Å; V212-N216 PolarHBondContact O-ND2 2.76Å
213S95.3Very high91Very high80 Ų8072.1 Ų72.156%0.55938%0.375SS*.Hα-helixtrans-64-39.9174.5-580000113.2S211 N216 R217S211-S213 PolarHBondContact O-N 3.22Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S213-N216 PolarHBondContact O-N 3.11Å; S213-R217 WeakPolarHBondContact O-CG 3.27Å; S213-R217 PolarHBondContact O-N 2.84Å; S213-R217 VanDerWaalsContact O-N 3.08Å
214S93.1Very high89.8Confident32 Ų3271.6 Ų71.622%0.22438%0.381CS..Hα-helixtrans-66-44175.5-1720000111.3S211 N216 R217 I218S211-S214 WeakPolarHBondContact O-CA 3.44Å; S211-S214 VanDerWaalsContact O-CB 3.31Å; S211-S214 WeakPolarHBondContact O-CB 3.49Å; S211-S214 PolarHBondContact O-N 3.15Å; S211-S214 PolarHBondContact OG-N 3.25Å; S214-N216 VanDerWaalsContact C-N 3.35Å; S214-N216 PolarHBondContact O-N 3.08Å; S214-R217 WeakPolarHBondContact O-CB 3.47Å; S214-R217 PolarHBondContact O-N 3.47Å; S214-R217 VanDerWaalsContact O-N 3.09Å; S214-I218 WeakPolarHBondContact O-CG1 3.43Å; S214-I218 PolarHBondContact O-N 3.45Å
215I95.4Very high88.5Confident0 Ų075.5 Ų75.50%040%0.401CS..Hα-helixtrans-57.9-47.6175.1-63.7169.4000110.3I179 A191 I194 R195 L198 P210 S211 V212 R217 I218 V219I179-I215 HydrophobicContact CD1-CG1 4.18Å; I179-I215 HydrophobicContact CD1-CG2 4.46Å; I179-I215 HydrophobicContact CG2-CG2 4.19Å; A191-I215 HydrophobicContact CB-CB 4.25Å; A191-I215 HydrophobicContact CB-CG2 3.91Å; A191-I215 WeakPolarHBondContact O-CD1 3.5Å; I194-I215 HydrophobicContact CB-CG2 4.16Å; I194-I215 HydrophobicContact CD1-CG2 4.18Å; I194-I215 HydrophobicContact CG2-CD1 4.34Å; I194-I215 HydrophobicContact CG2-CG2 3.82Å; R195-I215 HydrophobicContact CB-CD1 3.67Å; R195-I215 HydrophobicContact CG-CD1 4.29Å; L198-I215 HydrophobicContact CD1-CD1 4.5Å; P210-I215 HydrophobicContact CB-CG1 4Å; P210-I215 HydrophobicContact CG-CD1 4.11Å; P210-I215 HydrophobicContact CG-CG1 3.68Å; S211-I215 PolarHBondContact O-N 2.59Å; V212-I215 PolarHBondContact O-N 3.05Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 3.19Å; I215-I218 WeakPolarHBondContact O-CB 3.25Å; I215-I218 PolarHBondContact O-N 2.99Å; I215-I218 VanDerWaalsContact O-N 3.09Å; I215-V219 HydrophobicContact CG2-CG2 4.33Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.12Å
216N95.9Very high87Confident67 Ų6777.5 Ų77.536%0.35841%0.405SS..Hα-helixtrans-62-33.2176.6-81.6-32.7000113.4A191 V212 S213 S214 R220A191-N216 VanDerWaalsContact CB-OD1 3.28Å; A191-N216 WeakPolarHBondContact CB-OD1 3.32Å; V212-N216 PolarHBondContact O-N 2.82Å; V212-N216 PolarHBondContact O-ND2 2.76Å; S213-N216 PolarHBondContact O-N 3.11Å; S214-N216 VanDerWaalsContact C-N 3.35Å; S214-N216 PolarHBondContact O-N 3.08Å; N216-R220 WeakPolarHBondContact O-CG 3.3Å; N216-R220 PolarHBondContact O-N 3.47Å; N216-R220 PolarHBondContact O-NE 2.86Å
217R93.9Very high85.5Confident164 Ų16473 Ų7362%0.61939%0.388SS*.Hα-helixtrans-66.1-45.5171.6-70.8171.5-177-173.30.5110.8S213 S214 I215 V219 R220 N221S213-R217 WeakPolarHBondContact O-CG 3.27Å; S213-R217 PolarHBondContact O-N 2.84Å; S213-R217 VanDerWaalsContact O-N 3.08Å; S214-R217 WeakPolarHBondContact O-CB 3.47Å; S214-R217 PolarHBondContact O-N 3.47Å; S214-R217 VanDerWaalsContact O-N 3.09Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 3.19Å; R217-V219 PolarHBondContact O-N 3.47Å; R217-R220 PolarHBondContact O-N 3.07Å; R217-N221 WeakPolarHBondContact O-CB 3.45Å; R217-N221 PolarHBondContact O-N 3.14Å; R217-N221 PolarHBondContact O-OD1 3.38Å
218I92.8Very high83.8Confident15 Ų1569.5 Ų69.58%0.07738%0.375CS..Hα-helixtrans-60.8-44.8178.2-65.7164.1000111.3A171 V176 I179 S214 I215 R220 N221 K222A171-I218 HydrophobicContact CB-CD1 4.09Å; V176-I218 HydrophobicContact CB-CG2 4.46Å; V176-I218 HydrophobicContact CG1-CG2 4.03Å; V176-I218 HydrophobicContact CG2-CD1 4.28Å; V176-I218 HydrophobicContact CG2-CG2 4.3Å; I179-I218 HydrophobicContact CB-CG2 4.4Å; I179-I218 HydrophobicContact CD1-CB 4.47Å; I179-I218 HydrophobicContact CD1-CD1 3.66Å; I179-I218 HydrophobicContact CD1-CG2 4.2Å; I179-I218 HydrophobicContact CG2-CG2 4.05Å; S214-I218 WeakPolarHBondContact O-CG1 3.43Å; S214-I218 PolarHBondContact O-N 3.45Å; I215-I218 WeakPolarHBondContact O-CB 3.25Å; I215-I218 PolarHBondContact O-N 2.99Å; I215-I218 VanDerWaalsContact O-N 3.09Å; I218-R220 PolarHBondContact O-N 2.94Å; I218-N221 PolarHBondContact O-N 3.2Å; I218-K222 HydrophobicContact CG2-CD 4.21Å; I218-K222 PolarHBondContact O-N 3.14Å; I218-K222 VanDerWaalsContact O-N 3.08Å
219V93Very high82.2Confident32 Ų3270.3 Ų70.319%0.19438%0.384CS..Hα-helixtrans-61-44.1178.7172.90000111.2I179 K183 I215 R217 T223I179-V219 HydrophobicContact CG2-CG2 3.77Å; K183-V219 HydrophobicContact CG-CG1 4.23Å; K183-V219 HydrophobicContact CG-CG2 3.91Å; I215-V219 HydrophobicContact CG2-CG2 4.33Å; I215-V219 WeakPolarHBondContact O-CG2 3.39Å; I215-V219 PolarHBondContact O-N 3.12Å; R217-V219 PolarHBondContact O-N 3.47Å; V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 3.31Å
220R91Very high80.2Confident164 Ų16472.4 Ų72.462%0.61940%0.4SS*.Hα-helixtrans-66.2-42.8177.7-72.4-177.9-69.6-167.61.8112.3N216 R217 I218 T223 A224N216-R220 WeakPolarHBondContact O-CG 3.3Å; N216-R220 PolarHBondContact O-N 3.47Å; N216-R220 PolarHBondContact O-NE 2.86Å; R217-R220 PolarHBondContact O-N 3.07Å; I218-R220 PolarHBondContact O-N 2.94Å; R220-T223 PolarHBondContact O-N 3.28Å; R220-A224 PolarHBondContact O-N 3.11Å
221N88.1Confident78.3Confident99 Ų9981.2 Ų81.253%0.52943%0.433SS..Hα-helixtrans-64.1-43.8-178.7-69.1-0.4000112.1R217 I218 T223 A224 D225R217-N221 WeakPolarHBondContact O-CB 3.45Å; R217-N221 PolarHBondContact O-N 3.14Å; R217-N221 PolarHBondContact O-OD1 3.38Å; I218-N221 PolarHBondContact O-N 3.2Å; N221-T223 VanDerWaalsContact C-N 3.26Å; N221-T223 PolarHBondContact O-N 2.9Å; N221-A224 WeakPolarHBondContact O-CA 3.43Å; N221-A224 WeakPolarHBondContact O-CB 3.45Å; N221-A224 PolarHBondContact O-N 2.94Å; N221-D225 VanDerWaalsContact O-CG 3.27Å; N221-D225 PolarHBondContact O-N 3.22Å
222K80.2Confident76Confident49 Ų4980.5 Ų80.521%0.21344%0.437CS..Hα-helixtrans-68.1-25.4-179.4-69.9-177.384.8162.70113.6V176 A180 I218 K226V176-K222 HydrophobicContact CG1-CD 3.79Å; V176-K222 PolarHBondContact O-NZ 3.24Å; A180-K222 HydrophobicContact CB-CD 3.8Å; I218-K222 HydrophobicContact CG2-CD 4.21Å; I218-K222 PolarHBondContact O-N 3.14Å; I218-K222 VanDerWaalsContact O-N 3.08Å; K222-K226 WeakPolarHBondContact O-CG 3.37Å; K222-K226 PolarHBondContact O-N 3.48Å
223T72.2Confident73.5Confident90 Ų9081.7 Ų81.755%0.55245%0.452SS*.Hα-helixtrans-72.5-37.1171.7-54.10000110.7V219 R220 N221V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 3.31Å; R220-T223 PolarHBondContact O-N 3.28Å; N221-T223 VanDerWaalsContact C-N 3.26Å; N221-T223 PolarHBondContact O-N 2.9Å
224A67.3Low71.2Confident57 Ų5784.5 Ų84.547%0.47146%0.461SS..Hα-helixtrans-68.7-40.3174.900000112.5R220 N221 K226 V227 S228R220-A224 PolarHBondContact O-N 3.11Å; N221-A224 WeakPolarHBondContact O-CA 3.43Å; N221-A224 WeakPolarHBondContact O-CB 3.45Å; N221-A224 PolarHBondContact O-N 2.94Å; A224-K226 VanDerWaalsContact C-N 3.27Å; A224-K226 PolarHBondContact O-N 2.8Å; A224-V227 PolarHBondContact O-N 2.85Å; A224-S228 PolarHBondContact O-N 3.43Å; A224-S228 VanDerWaalsContact O-N 3.09Å
225D64Low69.1Low89 Ų8989.9 Ų89.948%0.47649%0.485SS..Hα-helixtrans-59.6-39.9179.3-65-30.9000111.4N221 V227 S228 T229N221-D225 VanDerWaalsContact O-CG 3.27Å; N221-D225 PolarHBondContact O-N 3.22Å; D225-V227 VanDerWaalsContact C-N 3.25Å; D225-V227 PolarHBondContact O-N 3.14Å; D225-S228 WeakPolarHBondContact CA-OG 3.24Å; D225-S228 PolarHBondContact O-N 2.88Å; D225-S228 VanDerWaalsContact O-N 3.11Å; D225-S228 PolarHBondContact O-OG 2.89Å; D225-T229 PolarHBondContact O-N 3.03Å; D225-T229 PolarHBondContact O-OG1 3.5Å
226K60.1Low66.6Low143 Ų14398.3 Ų98.362%0.62253%0.525SS*.Hα-helixtrans-59.7-34.3176-70.8170.1-172.5-63.50112.8K222 A224 S230K222-K226 WeakPolarHBondContact O-CG 3.37Å; K222-K226 PolarHBondContact O-N 3.48Å; A224-K226 VanDerWaalsContact C-N 3.27Å; A224-K226 PolarHBondContact O-N 2.8Å; K226-S230 PolarHBondContact O-OG 3.19Å
227V58.4Low64Low62 Ų62104.1 Ų104.138%0.37655%0.549SS..Hα-helixtrans-78.6-31.5178.3-176.80000111A224 D225 R231A224-V227 PolarHBondContact O-N 2.85Å; D225-V227 VanDerWaalsContact C-N 3.25Å; D225-V227 PolarHBondContact O-N 3.14Å; V227-R231 VanDerWaalsContact CG1-CZ 3.41Å; V227-R231 VanDerWaalsContact CG1-NH2 3.33Å; V227-R231 WeakPolarHBondContact O-CG 3.46Å; V227-R231 PolarHBondContact O-N 3.29Å
228S55.2Low61.4Low74 Ų74105 Ų10552%0.51756%0.561SS.*Hα-helixtrans-74-35.9178.973.10000113.5A224 D225A224-S228 PolarHBondContact O-N 3.43Å; A224-S228 VanDerWaalsContact O-N 3.09Å; D225-S228 WeakPolarHBondContact CA-OG 3.24Å; D225-S228 PolarHBondContact O-N 2.88Å; D225-S228 VanDerWaalsContact O-N 3.11Å; D225-S228 PolarHBondContact O-OG 2.89Å
229T55.5Low58.8Low107 Ų107113.3 Ų113.366%0.65660%0.599SS**Hα-helixtrans-71.8-36177.9-51.60000111.9D225D225-T229 PolarHBondContact O-N 3.03Å; D225-T229 PolarHBondContact O-OG1 3.5Å
230S50.1Low56Low73 Ų73120.8 Ų120.851%0.5163%0.632SS.*Hα-helixtrans-71.2-38.4179.3-42.80000112.9K226 G232 A233K226-S230 PolarHBondContact O-OG 3.19Å; S230-G232 PolarHBondContact O-N 3.42Å; S230-A233 PolarHBondContact O-N 3.24Å
231R53.6Low53.4Low186 Ų186122.2 Ų122.270%0.70265%0.645SS**Hα-helixtrans-72.9-14.4-179.3-69.3-177.3-166.9162.42.6114.1V227V227-R231 VanDerWaalsContact CG1-CZ 3.41Å; V227-R231 VanDerWaalsContact CG1-NH2 3.33Å; V227-R231 WeakPolarHBondContact O-CG 3.46Å; V227-R231 PolarHBondContact O-N 3.29Å
232G44.9Very low51.1Low58 Ų58123.4 Ų123.460%0.59866%0.659SS**THydrogen-bonded Turntrans-84.9-16.4177.100000114.7S230S230-G232 PolarHBondContact O-N 3.42Å
233A45Very low48.8Very low75 Ų75130.5 Ų130.562%0.6269%0.693SS**THydrogen-bonded Turntrans-91.7-24.8-178.400000113.5S230S230-A233 PolarHBondContact O-N 3.24Å
234D45.4Very low47.1Very low138 Ų138130.8 Ų130.874%0.73870%0.704SS**THydrogen-bonded Turntrans-89.1-1-173.5-76.4-38.9000115.4
235I50.5Low45.7Very low145 Ų145140 Ų14074%0.74473%0.727SS**THydrogen-bonded Turntrans-92.8-5.4-178.6-62.1-168.5000113.4
236Q41.5Very low44.4Very low177 Ų177144.5 Ų144.583%0.82775%0.745SS**SBendtrans-100.314.2-177.4-73.3-172.4-11.400115.9
237H42.5Very low43.3Very low189 Ų189142.9 Ų142.988%0.87575%0.751SS**SBendtrans-125.717.4-179.9-111.776.4000116.3
238Q38.7Very low42.3Very low184 Ų184144.9 Ų144.986%0.8677%0.774SS**SBendtrans-126.230.1-176.1-147.6164.663.200115.5
239Q37.8Very low41.7Very low189 Ų189150.4 Ų150.488%0.88379%0.792SS**  trans-134.270.2171-76.2-178.36.500111.2
240Q35.2Very low40.6Very low189 Ų189151 Ų15188%0.88380%0.798SS**  trans-165.988.6162.9-109.9166.545.300109.5
241Q35.5Very low40.2Very low193 Ų193153.4 Ų153.490%0.90281%0.81SS**  trans-162.3102.2153.2-113.1171.533.100109.8
242P40Very low39.5Very low124 Ų124148.6 Ų148.681%0.80581%0.81SS**  trans-77.9143.9168.2-7.625.3000111.1A244P242-A244 PolarHBondContact O-N 3.05Å
243Q32.4Very low39.3Very low199 Ų199154.7 Ų154.793%0.9382%0.822SS**  trans-57.5120.5-178.8-64.3160-52.900112.8
244A36.3Very low39Very low96 Ų96155.7 Ų155.779%0.79382%0.821SS**  trans-160.788.1159.100000109.8P242P242-A244 PolarHBondContact O-N 3.05Å
245R38.3Very low38.7Very low251 Ų251156.8 Ų156.895%0.94782%0.822SS**  trans-175.6102.9141.4-105.8173-179-169.4-0.2111
246E36.9Very low38.1Very low183 Ų183157.4 Ų157.486%0.85583%0.827SS**  trans-52.8146.7159-130.3157.8104.800111.6
247S35.4Very low37.9Very low108 Ų108152 Ų15276%0.75582%0.818SS**  trans79.991.7151.6-530000118.8
248A38.7Very low37.8Very low104 Ų104151.7 Ų151.786%0.8682%0.817SS**  176.1108.7121.700000110.8
249Q41.5Very low37.9Very low190 Ų190147.8 Ų147.889%0.88881%0.81SS**  trans-71.6147.4171.8-85.9171.9-64.200112.2
250P33.2Very low38.1Very low121 Ų121144.7 Ų144.779%0.78681%0.809SS**  trans-103.7129.5162.435.1-23.8000111.3
251T40.3Very low38.3Very low123 Ų123139.5 Ų139.576%0.75581%0.806SS**  trans-148.8108.6161.745.30000106.3
252A39.2Very low38.4Very low85 Ų85134.6 Ų134.670%0.70281%0.807SS**  64.2123.683.400000112.8
253Q41.8Very low38.3Very low185 Ų185131.8 Ų131.886%0.86480%0.801SS**  trans76.8147165.5-56.8174.9-19.700115.8
254T38.4Very low38.8Very low96 Ų96129.4 Ų129.459%0.58979%0.794SS**  cis179.3135.9-13.6-84.30000102.1
255E38.7Very low39Very low161 Ų161132.8 Ų132.875%0.75279%0.793SS**  trans46.1120159.668.6-158.6112.900122.8
256N38.1Very low39.2Very low158 Ų158126 Ų12685%0.84578%0.784SS**  trans62.9106.9138-60.9-31.3000121.3
257G37.8Very low39.8Very low63 Ų63122.5 Ų122.565%0.64978%0.777SS**  88112117.700000120.4
258H39.5Very low40Very low184 Ų184122.2 Ų122.285%0.85278%0.775SS**  trans81.3106.1143.4-56.496.3000121
259S40.8Very low40.2Very low102 Ų102126.6 Ų126.671%0.71378%0.777SS**  74.2108.9123.9-55.10000121.3
260S43.1Very low40.3Very low124 Ų124126.2 Ų126.287%0.86778%0.775SS**  83.1108.7127.1-51.80000120.5
261G38.6Very low40.8Very low80 Ų80125.6 Ų125.683%0.82577%0.771SS**  120.4107.9121.400000118.6
262G37.2Very low40.8Very low89 Ų89127 Ų12792%0.91877%0.773SS**  trans66.7138.6145.500000117.9
263G38.5Very low40.7Very low65 Ų65130.3 Ų130.367%0.6778%0.779SS**  cis149.4127.113.100000108.4
264L42.3Very low40.5Very low149 Ų149133 Ų13378%0.7878%0.781SS**  trans86.3130139.3-64.1155.5000122.2
265H39.9Very low40.2Very low168 Ų168134.6 Ų134.678%0.77880%0.796SS**  trans82.3144.1142.7-61.6152.2000119.6
266S44.5Very low40.1Very low109 Ų109130.5 Ų130.576%0.76280%0.797SS**  cis-177162.7-19.2-150.20000106.2
267P47.6Very low39.9Very low109 Ų109126.4 Ų126.471%0.70879%0.792SS**  trans-110.5177-158.440.7-32.4000115.8
268S39.8Very low39.8Very low101 Ų101131 Ų13171%0.70680%0.802SS**  trans130.9125.5141.2-58.10000114.8
269Q43.5Very low39.8Very low196 Ų196127.6 Ų127.692%0.91680%0.798SS**  173.9146118.3-89.1176.55000112.6
270H42.8Very low39.7Very low182 Ų182128.3 Ų128.384%0.84380%0.799SS**  trans-81.2-160.8-166.5-68.7-112.8000114.7
271P44.6Very low39.9Very low108 Ų108129.2 Ų129.270%0.70180%0.799SS**  -122.1-179-88.938.2-19.7000111.6
272L40.4Very low39.9Very low152 Ų152131.5 Ų131.580%0.79680%0.799SS**  trans165.3123.5136.6-84.8179.6000112.3
273L37.8Very low39.9Very low156 Ų156132.3 Ų132.382%0.81780%0.797SS**  trans60.7119.2140.7-64.6165.2000122.3
274R36.5Very low39.9Very low241 Ų241134.3 Ų134.391%0.90980%0.801SS**  trans106.878133.1-143.2172.3-176.4-151.8-0.4118.2
275S32.8Very low39.8Very low130 Ų130134.7 Ų134.791%0.90980%0.803SS**  trans2.9115.5144-164.30000118.9
276G35.3Very low39.5Very low74 Ų74131.9 Ų131.976%0.76381%0.808SS**  trans-153.6145.3155.100000109.4
277G35.8Very low39.1Very low73 Ų73132.2 Ų132.275%0.75381%0.811SS**  trans100.497.6154.300000119.5
278N35.6Very low38.4Very low160 Ų160131.4 Ų131.486%0.85681%0.814SS**  trans48120.2130.5-644.6000123
279S38.8Very low38.6Very low111 Ų111136 Ų13678%0.77682%0.817SS**  -167.5121.4115.5-91.90000110.6
280T38.4Very low38.2Very low117 Ų117132.7 Ų132.772%0.71881%0.809SS**  104.7101.866-54.70000109.8
281V48.3Very low38.4Very low144 Ų144129.8 Ų129.887%0.87380%0.799SS**  trans-174.2150.7138.7-96.40000110.7
282P38.4Very low37.8Very low127 Ų127128.3 Ų128.383%0.82579%0.791SS**  trans-100.3146.4-140.437-33.4000115.6
283A36.6Very low37.7Very low106 Ų106128.1 Ų128.188%0.87679%0.786SS**  trans-119.8123.8164.400000109.4
284S38.5Very low38Very low108 Ų108127.1 Ų127.176%0.75579%0.786SS**  trans-92.8116.7-177.4173.80000111
285L40.7Very low38Very low157 Ų157121.4 Ų121.482%0.82278%0.781SS**  trans65.387.8143.7-68.6159.2000119
286A31.8Very low38.3Very low108 Ų108124.5 Ų124.589%0.89378%0.781SS**  trans-106.6124.8136.600000107.8
287S37.9Very low38.3Very low117 Ų117125.7 Ų125.782%0.81878%0.777SS**  trans-116.4108.6168.9-155.60000108
288A32Very low38.2Very low92 Ų92128 Ų12876%0.7678%0.777SS**  trans-85.4136.8168.200000108.6
289Y43.4Very low38.1Very low197 Ų197128.9 Ų128.977%0.77378%0.776SS**  trans-125.3121.7157.1-162.6-106.2000108.9I291Y289-I291 HydrophobicContact CD1-CB 4.45Å; Y289-I291 HydrophobicContact CD1-CG1 4.22Å; Y289-I291 HydrophobicContact CE1-CB 3.88Å; Y289-I291 HydrophobicContact CE1-CD1 3.55Å; Y289-I291 HydrophobicContact CE1-CG1 3.39Å; Y289-I291 VanDerWaalsContact CZ-CD1 3.48Å; Y289-I291 WeakPolarHBondContact OH-CD1 3.42Å
290V35Very low38.1Very low126 Ų126131 Ų13176%0.76477%0.774SS**  trans-105.2115.6171.3174.90000105.8
291I47.5Very low37.7Very low121 Ų121132.6 Ų132.662%0.62178%0.775SS**  trans-138.3143.2151.5-74.8-166.1000108.6Y289Y289-I291 HydrophobicContact CD1-CB 4.45Å; Y289-I291 HydrophobicContact CD1-CG1 4.22Å; Y289-I291 HydrophobicContact CE1-CB 3.88Å; Y289-I291 HydrophobicContact CE1-CD1 3.55Å; Y289-I291 HydrophobicContact CE1-CG1 3.39Å; Y289-I291 VanDerWaalsContact CZ-CD1 3.48Å; Y289-I291 WeakPolarHBondContact OH-CD1 3.42Å
292S32.4Very low37.1Very low77 Ų77132.5 Ų132.554%0.53877%0.768SS.*  trans-105.5167-158.337.80000113
293H37.6Very low36.9Very low149 Ų149135.2 Ų135.269%0.6977%0.77SS**  trans62107.815262.5-89.9000121
294T45.9Very low36.9Very low134 Ų134136 Ų13682%0.82277%0.769SS**  162.6149.5100.343.20000111.5
295P36.3Very low37.2Very low122 Ų122141 Ų14179%0.79277%0.771SS**  trans-106.9139.8-173.136.8-26000113.1
296Q38.1Very low37.7Very low194 Ų194138.4 Ų138.491%0.90776%0.762SS**  trans-161.3121.4160-122.5165.1700114.5
297S35.5Very low38.4Very low99 Ų99135.2 Ų135.269%0.69274%0.739SS**  65.497.2129.9-179.80000120.9
298T34.4Very low39.2Very low123 Ų123134.5 Ų134.576%0.75573%0.732SS**  44141.1128.649.30000122.9
299Q33.7Very low40Very low177 Ų177140.1 Ų140.183%0.82773%0.734SS**  trans79.4121.1169.3-84.6175.5-25.600114.1
300E37.5Very low41.3Very low157 Ų157132.9 Ų132.973%0.73471%0.713SS**  cis-156.2140.631.2-72.9-153.1124.400112.8
301M29.5Very low42.8Very low149 Ų149132.8 Ų132.873%0.73471%0.707SS**  trans46.8123.7130.4-120-175.8-58.500121.9
302I35.7Very low43.7Very low142 Ų142130.4 Ų130.473%0.72870%0.695SS**  trans83.4101.2150.3-36.8172.2000117
303Q35.8Very low45.3Very low185 Ų185129.2 Ų129.286%0.86470%0.695SS**  trans148.2101.6136.9-82.3168.68.900112
304S36.8Very low46.4Very low122 Ų122129 Ų12985%0.85370%0.698SS**  trans176.893.4150.829.50000111.1
305R43.1Very low47.2Very low213 Ų213128.2 Ų128.280%0.80469%0.688SS**  trans-115.975.8160.5-82.1-167.6-178.2172.22.4109Y395R305-Y395 PolarHBondContact NH2-OH 3.04Å
306V51.9Low48.2Very low103 Ų103125.9 Ų125.962%0.62469%0.686SS**  trans-130.988.3160.6-173.60000106.4
307G46.8Very low49.4Very low40 Ų40121.3 Ų121.341%0.41267%0.667SS.*  trans-66161.6174.800000111.4Y309 S310G307-Y309 PolarHBondContact O-N 3.03Å; G307-S310 PolarHBondContact O-N 3.38Å
308P54.8Low50.5Low103 Ų103125 Ų12567%0.66967%0.673SS**THydrogen-bonded Turntrans-69.423.1-171.228.4-34.2000115.1
309Y49.1Very low51.1Low209 Ų209122.9 Ų122.982%0.8266%0.663SS**THydrogen-bonded Turntrans-126.93.7-177.4-33.8-71.5000112.7G307G307-Y309 PolarHBondContact O-N 3.03Å
310S69.7Low51.8Low45 Ų45122.5 Ų122.532%0.31566%0.662SS.*  trans-81.5138176.7-179.80000111.1G307 N312 G313 L314G307-S310 PolarHBondContact O-N 3.38Å; S310-N312 PolarHBondContact O-N 2.96Å; S310-N312 VanDerWaalsContact O-N 3.12Å; S310-N312 PolarHBondContact OG-N 3.44Å; S310-G313 WeakPolarHBondContact O-CA 3.44Å; S310-G313 PolarHBondContact O-N 3.38Å; S310-L314 PolarHBondContact O-N 3.49Å
311I66.3Low51.9Low124 Ų124120.9 Ų120.964%0.63666%0.662SS**Hα-helixtrans-53.4-30.9174-106.3162.7000111.7L314 L315I311-L314 PolarHBondContact O-N 2.93Å; I311-L315 HydrophobicContact CG2-CD1 4.47Å; I311-L315 PolarHBondContact O-N 3.35Å
312N67.5Low52.3Low72 Ų72121.1 Ų121.139%0.38567%0.665SS.*Hα-helixtrans-75.1-29.4177.3-62.99000112S310 I317S310-N312 PolarHBondContact O-N 2.96Å; S310-N312 VanDerWaalsContact O-N 3.12Å; S310-N312 PolarHBondContact OG-N 3.44Å; N312-I317 PolarHBondContact O-N 3.23Å
313G65Low52.3Low51 Ų51120.4 Ų120.453%0.52667%0.667SS.*Hα-helixtrans-79.4-25.917400000113.7S310S310-G313 WeakPolarHBondContact O-CA 3.44Å; S310-G313 PolarHBondContact O-N 3.38Å
314L60.2Low52.3Low145 Ų145115.9 Ų115.976%0.75966%0.662SS**Hα-helixtrans-81.7-20.8177.8-145.281.3000113.4S310 I311S310-L314 PolarHBondContact O-N 3.49Å; I311-L314 PolarHBondContact O-N 2.93Å
315L63.3Low52.2Low118 Ų118118.8 Ų118.862%0.61866%0.659SS**THydrogen-bonded Turntrans-106.93.1-178-78.6158.2000113.8I311 I317I311-L315 HydrophobicContact CG2-CD1 4.47Å; I311-L315 PolarHBondContact O-N 3.35Å; L315-I317 HydrophobicContact CB-CD1 3.72Å; L315-I317 HydrophobicContact CB-CG1 3.7Å; L315-I317 HydrophobicContact CD1-CD1 4.29Å; L315-I317 WeakPolarHBondContact O-CG1 3.32Å; L315-I317 PolarHBondContact O-N 3.02Å; L315-I317 VanDerWaalsContact O-N 3.16Å
316G56.7Low51.8Low72 Ų72114.4 Ų114.474%0.74266%0.658SS**THydrogen-bonded Turntrans59.525.8179.800000113.8E318G316-E318 PolarHBondContact O-N 3.31Å
317I64.3Low51.2Low99 Ų99116.8 Ų116.851%0.50867%0.667SS.*  trans-91.498.3-176.9-49.7175.6000107.7N312 L315 S319N312-I317 PolarHBondContact O-N 3.23Å; L315-I317 HydrophobicContact CB-CD1 3.72Å; L315-I317 HydrophobicContact CB-CG1 3.7Å; L315-I317 HydrophobicContact CD1-CD1 4.29Å; L315-I317 WeakPolarHBondContact O-CG1 3.32Å; L315-I317 PolarHBondContact O-N 3.02Å; L315-I317 VanDerWaalsContact O-N 3.16Å; I317-S319 PolarHBondContact O-N 2.91Å
318E57.7Low50.6Low176 Ų176118.9 Ų118.982%0.82268%0.681SS**  trans-62.4102.3168.8-165.9170.5163.100108.7G316 Q320G316-E318 PolarHBondContact O-N 3.31Å; E318-Q320 PolarHBondContact O-N 3Å
319S48.6Very low49.7Very low78 Ų78121.2 Ų121.255%0.54569%0.687SS.*  trans-70.8102.5173.9-72.80000108.5I317 V321I317-S319 PolarHBondContact O-N 2.91Å; S319-V321 PolarHBondContact O-N 3.47Å; S319-V321 VanDerWaalsContact O-N 3.12Å
320Q46.7Very low49.2Very low170 Ų170121.5 Ų121.579%0.79469%0.693SS**  trans-58.3115.8167.2-65.3-173.54.200108.8E318 I322E318-Q320 PolarHBondContact O-N 3Å; Q320-I322 PolarHBondContact O-N 3.01Å
321V39.7Very low47.6Very low123 Ų123128.6 Ų128.675%0.74572%0.718SS**  trans-64101168.3172.50000107.3S319 T323S319-V321 PolarHBondContact O-N 3.47Å; S319-V321 VanDerWaalsContact O-N 3.12Å; V321-T323 VanDerWaalsContact C-N 3.32Å; V321-T323 HydrophobicContact CG1-CG2 4.12Å; V321-T323 PolarHBondContact O-N 3.2Å; V321-T323 VanDerWaalsContact O-N 3.12Å
322I39.7Very low46Very low153 Ų153127 Ų12779%0.78572%0.723SS**  trans-78.990.6164.5-58.2175.4000106.6Q320 A324Q320-I322 PolarHBondContact O-N 3.01Å; I322-A324 PolarHBondContact O-N 3.39Å
323T33.7Very low44.5Very low127 Ų127132.8 Ų132.878%0.77975%0.749SS**  trans-65.594.6161.522.50000108.9V321 K325V321-T323 VanDerWaalsContact C-N 3.32Å; V321-T323 HydrophobicContact CG1-CG2 4.12Å; V321-T323 PolarHBondContact O-N 3.2Å; V321-T323 VanDerWaalsContact O-N 3.12Å; T323-K325 PolarHBondContact O-N 2.92Å
324A36.3Very low42.8Very low91 Ų91135.8 Ų135.875%0.75276%0.761SS**  trans-76.2104.8166.200000109I322I322-A324 PolarHBondContact O-N 3.39Å
325K35.4Very low41.6Very low183 Ų183134.2 Ų134.280%0.79676%0.762SS**  trans-61.1131.7171.1-132.1170.1-177.8167.20109.3T323 N327T323-K325 PolarHBondContact O-N 2.92Å; K325-N327 PolarHBondContact O-N 3.15Å
326P35.4Very low40.1Very low121 Ų121134.7 Ų134.779%0.78677%0.77SS**  trans-79.5116.7170.832.1-27.1000107.3
327N38Very low39Very low153 Ų153139.3 Ų139.382%0.81877%0.77SS**  trans-114.9121.2160.6-95-29000108K325K325-N327 PolarHBondContact O-N 3.15Å
328A34.8Very low37.4Very low84 Ų84144.5 Ų144.569%0.69478%0.783SS**  trans-63.9175.2174.200000111.2
329D36.1Very low35.9Very low151 Ų151142 Ų14281%0.80778%0.784SS**  trans86.789.4175.4-51.9-45.1000115
330F37.4Very low35.5Very low215 Ų215144.2 Ų144.294%0.94380%0.796SS**  -161136.1108.4-122.4-100000112.6
331K37.4Very low34.8Very low194 Ų194142.4 Ų142.484%0.84380%0.797SS**  trans-65.4140.8-163.4-167.9169.5-179.3173.20114.9
332A31.4Very low34.7Very low90 Ų90146 Ų14674%0.74481%0.808SS**  trans-59.2147.117100000113.6
333Q36.8Very low34.6Very low195 Ų195142.5 Ų142.591%0.91180%0.802SS**  trans-153.4121141.5-107.4175.52100110.6
334S29.8Very low34.8Very low113 Ų113143.5 Ų143.579%0.7980%0.803SS**  trans-81.4142.5178.2530000112.7
335S33.9Very low35.1Very low112 Ų112143.4 Ų143.478%0.78380%0.797SS**  trans-174103.7144.444.30000107.3
336V33Very low35.3Very low128 Ų128142 Ų14278%0.77680%0.798SS**  44.8107.990.4-172.30000113
337F32.2Very low35.5Very low169 Ų169140.6 Ų140.674%0.74180%0.796SS**  trans171.3101.1134.6-111.9-99.3000108.7
338R32.5Very low35.3Very low209 Ų209138.8 Ų138.879%0.78980%0.795SS**  79113.293.2-149.3-174.5-138.1139.3-0.7114.2
339C25.5Very low35.2Very low123 Ų123142.7 Ų142.783%0.83180%0.797SS**  trans-78.4158.4168.7-59.40000111.9
340P39.1Very low35.3Very low125 Ų125141.8 Ų141.881%0.81279%0.789SS**  trans-123.2137147.831.3-16.6000112.6
341T32.2Very low35.4Very low132 Ų132137.8 Ų137.881%0.8178%0.777SS**  trans-79145.6167.151.70000110.8
342M38.1Very low35.6Very low197 Ų197134.1 Ų134.197%0.9777%0.771SS**  trans-153.3136.2143-81.2-142.4-175.300110.6
343A37.8Very low35.6Very low81 Ų81138.3 Ų138.367%0.66978%0.775SS**  trans-83.5150172.300000110.5
344D36.9Very low35.5Very low148 Ų148132.5 Ų132.579%0.79177%0.768SS**  166.7123.3114.2-89.3-32.5000112.6
345S43.6Very low35.5Very low89 Ų89138.7 Ų138.762%0.62277%0.774SS**  trans37.5113131.2-46.10000120.2
346N40.1Very low35.9Very low154 Ų154140 Ų14082%0.82478%0.778SS**  147137.6112.1-75.7-46.8000114.2
347A39.2Very low36Very low90 Ų90140.9 Ų140.974%0.74478%0.778SS**  trans67.1104.8144.600000119.7
348S33.2Very low36.1Very low115 Ų115143.8 Ų143.880%0.80478%0.784SS**  69.8147.4115.9-147.40000120.1
349F33.7Very low36.2Very low167 Ų167139.6 Ų139.673%0.73278%0.781SS**  trans97.292.1157.3-134.1-104.4000117.7
350M37.1Very low36.9Very low131 Ų131140.8 Ų140.865%0.64577%0.772SS**  57.9130.3122-73.8-167.474.300120.7
351L40.6Very low36.6Very low132 Ų132142.6 Ų142.669%0.69177%0.774SS**  trans99.4128.5141.2-73.1162.7000119.3
352T40.2Very low37.1Very low116 Ų116143.2 Ų143.271%0.71277%0.768SS**  trans82.899.5140.3420000119.7
353Q33.1Very low37Very low178 Ų178140.3 Ų140.383%0.83276%0.756SS**  50.2114.7123.6-62-70.4-21.700118
354G34.9Very low37.2Very low74 Ų74141.8 Ų141.876%0.76376%0.759SS**  trans178.883.8164.800000112.6V356G354-V356 PolarHBondContact O-N 3.22Å
355W29.4Very low37.1Very low242 Ų242145.1 Ų145.192%0.91776%0.762SS**  trans-60.1124.8168.2-83.938.3000111.1
356V41.9Very low36.9Very low141 Ų141145 Ų14586%0.85577%0.766SS**  trans-146126.1145.5-1670000110.3G354G354-V356 PolarHBondContact O-N 3.22Å
357N35.3Very low36.7Very low145 Ų145143.9 Ų143.978%0.77577%0.765SS**  trans-43.9130.7174-66.5-56.3000114.1
358R34.1Very low36.6Very low230 Ų230147 Ų14787%0.86878%0.775SS**  trans-130.4101.2149.6-172174.8-74.9-130.50.8109K360R358-K360 PolarHBondContact O-N 2.99Å
359V35.4Very low36.7Very low121 Ų121146 Ų14673%0.73377%0.774SS**  trans-63.3115.4168.7-173.10000107.5L361V359-L361 HydrophobicContact CG1-CD1 4.27Å
360K39.1Very low37.1Very low148 Ų148142.6 Ų142.664%0.64378%0.777SS**  trans-125.493.9165-171.8122.9177.7168.20108R358 E362R358-K360 PolarHBondContact O-N 2.99Å; K360-E362 WeakPolarHBondContact CE-OE1 3.46Å; K360-E362 WeakPolarHBondContact CE-OE2 2.95Å; K360-E362 HydrophobicContact CG-CG 4.39Å; K360-E362 IonicContact NZ-OE1 2.92Å; K360-E362 PolarHBondContact NZ-OE1 3.39Å; K360-E362 IonicContact NZ-OE2 3.77Å; K360-E362 PolarHBondContact O-N 3.46Å
361L32.7Very low37.1Very low164 Ų164144.2 Ų144.286%0.85979%0.788SS**  trans-63.1107.8156.8-109.489.2000106.7V359V359-L361 HydrophobicContact CG1-CD1 4.27Å
362E42.2Very low37Very low145 Ų145145.5 Ų145.568%0.67879%0.794SS**  trans-132.5128.7156.9-92.6175.8-17900109.4K360K360-E362 WeakPolarHBondContact CE-OE1 3.46Å; K360-E362 WeakPolarHBondContact CE-OE2 2.95Å; K360-E362 HydrophobicContact CG-CG 4.39Å; K360-E362 IonicContact NZ-OE1 2.92Å; K360-E362 PolarHBondContact NZ-OE1 3.39Å; K360-E362 IonicContact NZ-OE2 3.77Å; K360-E362 PolarHBondContact O-N 3.46Å
363N37.7Very low36.9Very low136 Ų136143 Ų14373%0.72779%0.791SS**  trans-75.5119.7-172.4-173.88.2000109.9Y365N363-Y365 VanDerWaalsContact C-N 3.33Å; N363-Y365 PolarHBondContact O-N 3.33Å
364P40.9Very low37.1Very low111 Ų111138.9 Ų138.972%0.72179%0.787SS**SBendtrans-93.163.7-178.337.2-32.4000110.4
365Y34.5Very low37.1Very low218 Ų218142.9 Ų142.986%0.85579%0.79SS**SBendtrans-154.258.8168.2-89.6-77.3000110.1N363N363-Y365 VanDerWaalsContact C-N 3.33Å; N363-Y365 PolarHBondContact O-N 3.33Å
366A39.2Very low37.3Very low87 Ų87139.4 Ų139.472%0.71979%0.789SS**  trans-163.6139.4163.800000109.1
367T36.5Very low37.2Very low130 Ų130138.4 Ų138.480%0.79879%0.788SS**  trans93.872.8166.6-31.50000116.5
368V38.2Very low37.5Very low155 Ų155136 Ų13694%0.93979%0.788SS**  trans-12877.7144.4-75.70000108.8
369A35.2Very low37.5Very low95 Ų95129.2 Ų129.279%0.78579%0.79SS**  trans-163.580.315800000106.8
370A41Very low37.5Very low96 Ų96127.4 Ų127.479%0.79380%0.796SS**  trans-85.2112.8168.600000108.1
371D37Very low37.6Very low164 Ų164126 Ų12688%0.87781%0.805SS**  trans-70.3117153-109.6-30.2000107.7
372I39Very low37.9Very low160 Ų160123.6 Ų123.682%0.82180%0.801SS**  trans-140.6105.1149.9-63.5-173.5000106.8
373G37.6Very low37.8Very low63 Ų63121 Ų12165%0.64981%0.805SS**  trans-69.9163.8159.800000111.7
374A38.4Very low37.8Very low91 Ų91120.9 Ų120.975%0.75280%0.804SS**  trans105.7122.1166.500000116
375L32.9Very low37.6Very low159 Ų159124.5 Ų124.583%0.83281%0.808SS**  trans80.492.1154.4-61.6160.2000116.5
376L35.6Very low38Very low168 Ų168119.3 Ų119.388%0.8880%0.802SS**  176.5125.496.8-89.3148.6000111
377S38.8Very low38.1Very low121 Ų121121.5 Ų121.585%0.84681%0.808SS**  trans-42.7126.5167.8-169.20000113.8
378A41.5Very low38.3Very low93 Ų93119.7 Ų119.777%0.76981%0.806SS**  164.2108.412700000111.8
379G34.5Very low38.1Very low89 Ų89117.5 Ų117.592%0.91880%0.797SS**  trans56.7124.8133.600000121.4
380G35.3Very low38.1Very low82 Ų82122.2 Ų122.285%0.84581%0.805SS**  trans140.790.3145.400000115.5
381S40.2Very low37.9Very low119 Ų119123.5 Ų123.583%0.83280%0.803SS**  trans-70.7160.7-177.3-44.40000115.7
382S40.6Very low37.6Very low113 Ų113120.5 Ų120.579%0.7980%0.801SS**  trans119.391.8153.7-47.30000112.9
383A40.1Very low37.6Very low92 Ų92117.6 Ų117.676%0.7680%0.801SS**  64.7132.982.900000112.1
384L36.5Very low37.5Very low133 Ų133120.4 Ų120.470%0.69681%0.806SS**  cis-151.314716.4-73.884.7000106.1
385F37.6Very low37.1Very low186 Ų186125.3 Ų125.382%0.81681%0.806SS**  -178.5153.673.1-93.1-83.6000109.3
386P41.9Very low37.2Very low110 Ų110121.2 Ų121.271%0.71480%0.802SS**  trans-100.7160.9-164.138.5-32.6000115.3
387P41Very low37.3Very low132 Ų132121 Ų12186%0.85780%0.802SS**  trans-91.7130.4165.534.5-26.3000110.5
388A40.7Very low37.4Very low92 Ų92124.4 Ų124.476%0.7680%0.804SS**  trans-117.8129179.200000113.1
389C33.6Very low37.1Very low110 Ų110128.6 Ų128.674%0.74381%0.805SS**  trans58.498.6149.868.40000120.2
390M35.3Very low37.1Very low194 Ų194130.3 Ų130.396%0.95679%0.794SS**  trans-70.8131.7130.6-66-153.6130.600109.3
391T38.2Very low37.1Very low122 Ų122134.4 Ų134.475%0.74880%0.795SS**  trans-147.6110.8157.2-43.20000108.7
392A31.3Very low36.7Very low101 Ų101137.7 Ų137.784%0.83580%0.8SS**  trans-77.9130.816100000107.8
393A37.3Very low36.6Very low99 Ų99137.1 Ų137.182%0.81880%0.802SS**  trans-125.4127.6165.500000108.4
394T35.5Very low36.1Very low122 Ų122140.8 Ų140.875%0.74881%0.808SS**  trans-92.7162.2176.6510000111.4
395Y31Very low36.1Very low195 Ų195138.7 Ų138.777%0.76581%0.81SS**  trans84.3132.3156-93.6-91.5000119.9R305R305-Y395 PolarHBondContact NH2-OH 3.04Å
396G35.3Very low36.1Very low73 Ų73135.4 Ų135.475%0.75381%0.81SS**  trans142.886.3145.900000115.7
397D36.3Very low35.9Very low164 Ų164135.4 Ų135.488%0.87781%0.813SS**  trans-65.4137.2159.3-72-56.9000110.5
398H42.3Very low36Very low192 Ų192133.8 Ų133.889%0.88981%0.805SS**  trans-148.1117.9153.1-131.7-80.9000110.7
399F35.6Very low35.9Very low180 Ų180137.9 Ų137.979%0.78981%0.808SS**  trans-83.8147.3172-142.4-97.3000109.1
400N32.8Very low36Very low126 Ų126137 Ų13767%0.67481%0.81SS**  trans49.7120.8162.1-90.1-35.2000120
401L35.4Very low36.1Very low168 Ų168136.8 Ų136.888%0.8880%0.803SS**  -166.4127.1119.9-126.880.1000110.8
402M31.8Very low36.1Very low187 Ų187136.2 Ų136.292%0.92180%0.799SS**  trans-65.6138.1157.8-72.6179.4174.400109.7
403A38.3Very low36.3Very low101 Ų101139 Ų13984%0.83580%0.8SS**  trans-173.2138.7144.100000111.7
404N30.5Very low36.3Very low169 Ų169138.6 Ų138.690%0.90479%0.791SS**  trans-60.7152.8177.4-75.9-34.6000115.5
405A36.9Very low36.4Very low89 Ų89137.2 Ų137.274%0.73679%0.786SS**  trans-173.398.8140.600000108.4
406S36.6Very low36.7Very low117 Ų117135.9 Ų135.982%0.81879%0.792SS**  72110.986.467.60000116.1
407S38.9Very low36.8Very low110 Ų110136 Ų13677%0.76979%0.793SS**  -170.2128124.872.40000113.7
408S41.6Very low36.8Very low99 Ų99135.1 Ų135.169%0.69279%0.788SS**  trans56132.4143.455.60000120.4
409E38.9Very low36.6Very low177 Ų177134.2 Ų134.283%0.82779%0.787SS**  cis-164.8131.710.4-105.1173.3110.600107.1
410A37.2Very low36.6Very low93 Ų93128.9 Ų128.977%0.76978%0.783SS**  63.8134.7106.900000115.1
411K37.4Very low36.8Very low188 Ų188129.7 Ų129.782%0.81779%0.792SS**  cis-172.311917.2-165.7158.4177.9-176.50105.2
412V36.6Very low36.7Very low111 Ų111126 Ų12667%0.67379%0.786SS**  83123.692.9166.10000116.1
413L36.3Very low36.6Very low160 Ų160123 Ų12384%0.83878%0.782SS**  trans63.9152.8149.7-66.3163.9000118.3
414S36.3Very low36.4Very low90 Ų90129.5 Ų129.563%0.62979%0.785SS**  cis-177.8145.7-14.9-1630000105.7
415S38.1Very low36.7Very low93 Ų93128 Ų12865%0.6578%0.782SS**  trans52.4137.3145.4-37.90000123.6
416N37.8Very low36.7Very low167 Ų167128.2 Ų128.289%0.89378%0.778SS**  trans90.1133.3146.5-62.9-12.8000120.1
417G37.5Very low37Very low76 Ų76128.4 Ų128.478%0.78477%0.774SS**  trans116.284.5132.900000118.1
418N35.5Very low36.9Very low144 Ų144129.1 Ų129.177%0.7777%0.77SS**  trans11.7143.8131.9-151.330000121.5
419M37.7Very low36.8Very low174 Ų174131.8 Ų131.886%0.85777%0.771SS**  trans100.2135.5151.2-54.2-143-146.600121.1
420G37.1Very low36.7Very low68 Ų68130.3 Ų130.370%0.70176%0.764SS**  trans99.394.3146.800000116.5
421T37.3Very low36.6Very low143 Ų143132.3 Ų132.388%0.87776%0.761SS**  69.4107.984.5-40.70000116.1
422A31.4Very low36.8Very low90 Ų90129.4 Ų129.474%0.74476%0.761SS**  trans37.1137.4142.600000123.9
423C31.5Very low36.6Very low124 Ų124128.7 Ų128.784%0.83876%0.761SS**  trans161.5112.6133-810000108
424R32.7Very low36.7Very low237 Ų237127 Ų12789%0.89476%0.758SS**  58.2146.171.7-84.1-165.9174.6-155.7-0.4116.3
425T38.2Very low37Very low138 Ų138128.2 Ų128.285%0.84776%0.762SS**  trans101.8134.9172.1690000114.3
426S37.2Very low37Very low93 Ų93131.1 Ų131.165%0.6577%0.77SS**  cis-178.1146.910.938.30000111.9
427T40.8Very low37Very low121 Ų121128.1 Ų128.174%0.74277%0.769SS**  trans60.3147.6132.161.10000120.8
428D37.2Very low37.3Very low125 Ų125129 Ų12967%0.66877%0.768SS**  cis-176.5162.212.9-123.5-32.6000113
429E39.2Very low38.1Very low156 Ų156127.3 Ų127.373%0.72977%0.765SS**  trans62.8156.2147.7-55.2-75.399.800122.8
430H36.7Very low38.3Very low145 Ų145124.7 Ų124.767%0.67176%0.764SS**  cis-177.4126.4-36.2-15837.3000107.9
431L35.8Very low38.4Very low136 Ų136124.8 Ų124.871%0.71277%0.765SS**  trans47.8171.8153.2-74.5165000121.3
432P41.2Very low38.4Very low126 Ų126127.2 Ų127.282%0.81876%0.764SS**  cis-136.5-167.11240.3-17.8000116.2
433S34Very low38.7Very low96 Ų96128.7 Ų128.767%0.67176%0.758SS**  trans-115.6174.8-164.842.90000115.4
434T38.4Very low39Very low126 Ų126128.1 Ų128.177%0.77375%0.751SS**  trans87.5138.4163.380.90000115.7
435T41.5Very low39.3Very low115 Ų115121.6 Ų121.671%0.70674%0.742SS**  cis-165.2149.936.436.80000112.8
436N37.5Very low39.4Very low153 Ų153123.9 Ų123.982%0.81874%0.743SS**  trans35.3131.3135.3-55.5-31.4000123.8
437A39.4Very low40Very low105 Ų105124.6 Ų124.687%0.86875%0.745SS**  165.6139.197.700000113.9
438A42.7Very low40Very low94 Ų94123 Ų12378%0.77774%0.744SS**  trans-90.2-155.9176.400000110.6
439P52.2Low40.1Very low109 Ų109125.6 Ų125.671%0.70875%0.753SS**  cis-150.6176.44.838.7-14.3000119.6
440S42.8Very low40.1Very low118 Ų118124.9 Ų124.983%0.82575%0.753SS**  trans56.3143.2137.857.70000122.9
441G39.6Very low40.2Very low70 Ų70125.3 Ų125.372%0.72276%0.757SS**  cis172.7169.58.800000114.7
442F36.3Very low40.5Very low195 Ų195125.2 Ų125.286%0.85576%0.762SS**  trans72.7142.3138.8-140.5-102.4000120.3
443L38.4Very low40.2Very low120 Ų120127.4 Ų127.463%0.62877%0.767SS**  cis-176.1156.8-12.6-163.9-164.2000109.5
444T36.9Very low40.4Very low112 Ų112126.1 Ų126.169%0.68777%0.769SS**  trans81.5121.3145.87.20000126.1
445S38.4Very low40.4Very low100 Ų100126.1 Ų126.170%0.69977%0.774SS**  58.2119.6128.558.70000126.3
446Q41.1Very low40.3Very low186 Ų186130.1 Ų130.187%0.86978%0.782SS**  40.7166.5126.4-77.1-165.130.900122.7
447P49.7Very low40.7Very low109 Ų109127.4 Ų127.471%0.70877%0.772SS**  cis-139.1-170.3-23.234.5-11.9000115.2
448A41.6Very low40.5Very low87 Ų87131 Ų13172%0.71977%0.772SS**  trans89.3118.5143.400000123.8
449E38.7Very low40.5Very low180 Ų180136.6 Ų136.684%0.84178%0.778SS**  trans70.6142.2133.9-66.1-155.3125.500125.8
450L38.5Very low39.6Very low140 Ų140136.4 Ų136.473%0.73378%0.779SS**  trans83.3122.6152.7-108.775.8000120.3
451M38.7Very low39.7Very low155 Ų155138.2 Ų138.276%0.76478%0.778SS**  11190.9115.6-28.7167.9108.100120.9
452T43Very low39.3Very low133 Ų133138.3 Ų138.382%0.81678%0.779SS**  trans78.4143145.765.70000123.1
453N33.9Very low39.7Very low172 Ų172140 Ų14092%0.9278%0.78SS**  trans-73.5148.2-175.1-67-60.6000114.8
454G38.4Very low39.5Very low69 Ų69141.4 Ų141.471%0.71179%0.788SS**  trans-175.4105.5164.900000113.4
455S39.2Very low40Very low126 Ų126142.5 Ų142.588%0.88179%0.794SS**  trans40.2122139.6-46.50000122.2
456K39.6Very low39.9Very low199 Ų199144.5 Ų144.587%0.86580%0.797SS**  trans2.5161.7143.5-111.6-176.5173.9-178.20119.4
457P45.6Very low39.6Very low96 Ų96139.4 Ų139.462%0.62379%0.787SS**  cis-146.41789.335.6-10.9000118
458E35Very low39.1Very low182 Ų182143.7 Ų143.785%0.8580%0.797SS**  trans34.3121.9148.3-71.1175.692.100122.8
459K42.8Very low38.8Very low211 Ų211145.6 Ų145.692%0.91780%0.8SS**  -168.4138.4121.6-138.7166.4-178.2172.20113.7
460S34.5Very low38.9Very low104 Ų104144.2 Ų144.273%0.72780%0.804SS**  trans-57155.6175.5-43.30000115.3
461I43.5Very low38.8Very low157 Ų157144.8 Ų144.881%0.80581%0.808SS**  trans-171.2123.9132.5-87.4143.6000107.9
462G32.2Very low38.7Very low72 Ų72148.7 Ų148.774%0.74281%0.814SS**  trans-97.4148.6167.400000111.3
463R43.8Very low38.4Very low230 Ų230148.2 Ų148.287%0.86881%0.81SS**  trans-145.5124.3158.3-84.3-173-162.9161.26.9110.7
464N34.2Very low38.4Very low149 Ų149144.2 Ų144.280%0.79780%0.801SS**  trans-95.6132.7161.6176.8-16.9000106.7
465V46.9Very low38.7Very low135 Ų135147.8 Ų147.882%0.81881%0.809SS**  trans-143136.3162.7-143.50000109.9
466N36.3Very low38.7Very low142 Ų142147.4 Ų147.476%0.75980%0.804SS**  trans-96.1155.6-166.6-159.16.9000111.6
467A35.3Very low38.5Very low79 Ų79143.1 Ų143.165%0.65381%0.805SS**  trans50.4122.2151.100000121.2
468Q39.3Very low38.2Very low199 Ų199142.2 Ų142.293%0.9381%0.813SS**  -175134.8114.8-101.4170.6-1.300113.1
469T35.6Very low38.4Very low128 Ų128138.2 Ų138.279%0.78581%0.812SS**  trans-78.2138.2178.5-68.30000112.4
470V40.7Very low37.8Very low150 Ų150138.4 Ų138.491%0.90981%0.813SS**  trans-154.9129.8142.6-118.90000112.8
471N35.8Very low38Very low153 Ų153137.9 Ų137.982%0.81882%0.815SS**  trans-77.2150.9174.8-105.1-25.5000112.8
472R38.1Very low37.8Very low237 Ų237136.3 Ų136.389%0.89482%0.818SS**  trans153.5152.1139.6-89-172.7177.7159.80.5109.3
473V36.3Very low38Very low122 Ų122143.3 Ų143.374%0.73982%0.823SS**  cis-169.7142.3-13138.40000105.1
474A33.7Very low38.1Very low89 Ų89137.8 Ų137.874%0.73682%0.817SS**  trans22.3130.6152.600000123.9
475V43.8Very low38Very low144 Ų144136.9 Ų136.987%0.87382%0.821SS**  trans-154.8160135.9-134.30000108.4
476P40.5Very low38.3Very low118 Ų118136.6 Ų136.677%0.76682%0.819SS**  -118.8-178.4-123.123.63.1000114.1
477A34.7Very low38.7Very low109 Ų109135.1 Ų135.190%0.90182%0.817SS**  trans-57.1139.4175.500000114.1
478G38.9Very low39.8Very low77 Ų77137.6 Ų137.679%0.79483%0.827SS**  trans-147.4137.2170.400000109.9
479A39.7Very low40.2Very low98 Ų98132.5 Ų132.581%0.8182%0.819SS**  trans-77.2160.7-15900000116.4
480F31.5Very low40.3Very low214 Ų214132.8 Ų132.894%0.93982%0.82SS**  trans-20.3131.1161.1-76.4-100.7000117.7
481A38.4Very low40.2Very low94 Ų94134.4 Ų134.478%0.77782%0.82SS**  trans-154.5134.8143.500000110.6
482S38.8Very low40.5Very low123 Ų123133.2 Ų133.286%0.8682%0.819SS**PPolyproline II helixtrans-68.1141-174.2-53.30000113.8
483Y36.4Very low40.7Very low220 Ų220126.8 Ų126.886%0.86382%0.816SS**PPolyproline II helixtrans-88134.8164.9-72.8-83.9000110.6
484P45.9Very low40.8Very low113 Ų113126 Ų12673%0.73482%0.823SS**PPolyproline II helixtrans-88.9136.4175.734-29.7000111.4
485C32.6Very low41.1Very low131 Ų131125.1 Ų125.189%0.88582%0.822SS**  trans-87.4112.4171.8-36.80000109
486V52.1Low40.8Very low129 Ų129125.8 Ų125.878%0.78282%0.82SS**PPolyproline II helixtrans-86.1130.5174178.50000109.3
487P45.5Very low40.8Very low110 Ų110126.2 Ų126.271%0.71482%0.82SS**PPolyproline II helixtrans-81.8147.1174.932.1-32000111.7
488P58.3Low41Very low132 Ų132125.9 Ų125.986%0.85781%0.811SS**PPolyproline II helixtrans-74.8134.2179.629.2-31.9000111.8
489A46.6Very low41.1Very low92 Ų92126.3 Ų126.376%0.7681%0.807SS**PPolyproline II helixtrans-71.2146.5177.500000112.8
490T37.1Very low41Very low133 Ų133131.4 Ų131.482%0.81681%0.811SS**PPolyproline II helixtrans-56.4128.2166.937.30000112.5
491M40.2Very low41.4Very low185 Ų185126.7 Ų126.791%0.91180%0.802SS**  trans-106.2115.4160.4-77.3-125.975.600109.7
492T40.9Very low41.4Very low128 Ų128127 Ų12779%0.78580%0.799SS**  trans-85.3127168.4-45.70000108.2
493A42.5Very low41.3Very low102 Ų102128.9 Ų128.984%0.84379%0.794SS**  trans-146.9109.3161.700000109.3
494A39.9Very low41.4Very low106 Ų106128.4 Ų128.488%0.87679%0.792SS**  trans-77.1150.8169.800000110.3
495G38.1Very low41.1Very low69 Ų69132.9 Ų132.971%0.71180%0.796SS**  trans154.994.7161.100000116.2
496L38.6Very low41.2Very low159 Ų159133.3 Ų133.383%0.83279%0.789SS**  trans67.3109.5139.8-67.3165000118.8
497V41.1Very low40.4Very low126 Ų126130.8 Ų130.876%0.76479%0.789SS**  73.6118.796172.90000110.3
498S38.1Very low40.1Very low103 Ų103136.6 Ų136.672%0.7280%0.798SS**  cis-178.8156.948.822.40000110.8
499A40.4Very low38.9Very low86 Ų86133.7 Ų133.771%0.71179%0.793SS**  trans71.8139.1150.200000119.2
500F38.8Very low38.5Very low205 Ų205135.2 Ų135.290%0.89980%0.798SS**  cis-165.6155.7-23.1-106.6-76.8000104.2
501P40.1Very low38.6Very low114 Ų114136.6 Ų136.674%0.7480%0.799SS**  trans-108.2159.6-161.838.7-29.1000114.5
502S38Very low38.5Very low101 Ų101131.9 Ų131.971%0.70678%0.784SS**  trans-166.4120.2147-139.60000113.5
503E37.2Very low38.4Very low163 Ų163131.5 Ų131.576%0.76278%0.778SS**  trans67146138.8-63.8-177.9153.900124.8
504Y36.7Very low38.3Very low209 Ų209134.7 Ų134.782%0.8278%0.781SS**  trans90.985.1160.4-82-82.9000121.4
505Y39.5Very low38.1Very low207 Ų207135.4 Ų135.481%0.81278%0.778SS**  22.8134.7122-109.9-81.5000121.8
506N35.6Very low38Very low141 Ų141144.5 Ų144.575%0.75479%0.791SS**  trans74.1101.5156-75.6-32.9000120
507G34.4Very low37.8Very low75 Ų75142 Ų14277%0.77379%0.787SS**  trans-150.1104.7157.200000110.8G509G507-G509 PolarHBondContact O-N 3.3Å; G507-G509 VanDerWaalsContact O-N 3.15Å
508Y39.3Very low38.3Very low232 Ų232142 Ų14291%0.9179%0.789SS**  trans-60.5113169.1-87.5-92.9000109.6S510Y508-S510 PolarHBondContact O-N 3.49Å
509G34.5Very low38.6Very low72 Ų72143.7 Ų143.774%0.74280%0.796SS**  trans-77.6111175.700000111.7G507 L511G507-G509 PolarHBondContact O-N 3.3Å; G507-G509 VanDerWaalsContact O-N 3.15Å; G509-L511 PolarHBondContact O-N 3.45Å
510S38.3Very low38.5Very low123 Ų123148.4 Ų148.486%0.8681%0.805SS**  trans-68.3111.7157.5162.10000108.7Y508Y508-S510 PolarHBondContact O-N 3.49Å
511L37.4Very low38.7Very low163 Ų163143 Ų14385%0.85380%0.799SS**  trans-96.2140.1167.1-107.9126.1000112G509G509-L511 PolarHBondContact O-N 3.45Å
512S38.9Very low38.7Very low85 Ų85143.7 Ų143.759%0.59480%0.803SS**  trans-72.4147.3-170.654.30000114.5
513N38.2Very low38.6Very low121 Ų121142.6 Ų142.665%0.64781%0.808SS**  trans35.9110.8135-55.6-30.3000117.6
514N41.3Very low38.6Very low169 Ų169141.6 Ų141.690%0.90482%0.817SS**  trans-144.2114.7131.8-87-35.9000109.3
515C34.7Very low38.5Very low121 Ų121135 Ų13582%0.81881%0.812SS**  trans-74.1127.3169.8-70.40000109.1
516W36.4Very low38.3Very low259 Ų259130.4 Ų130.498%0.98181%0.81SS**  trans-128.2107155.5-92.5-29.1000109.7
517S35.1Very low38.5Very low108 Ų108132.4 Ų132.476%0.75582%0.82SS**  trans-83.2140.2153-83.10000108.5
518P50.4Low38.6Very low125 Ų125135.9 Ų135.981%0.81282%0.82SS**  trans-88.4114169.532-25.5000109.7
519T45.1Very low38.6Very low139 Ų139129.7 Ų129.785%0.85382%0.816SS**PPolyproline II helixtrans-78.6118.3165-58.60000108.5
520M38.9Very low38.7Very low184 Ų184133.6 Ų133.691%0.90682%0.82SS**PPolyproline II helixtrans-71.8133.8165.8-74.3-173176.500109.7
521A42.3Very low38.8Very low93 Ų93133.4 Ų133.477%0.76982%0.819SS**PPolyproline II helixtrans-93.7145.7165.300000110.3
522P41.4Very low38.8Very low127 Ų127130.2 Ų130.283%0.82581%0.81SS**PPolyproline II helixtrans-81.6164.5-176.134.8-33.4000112.3
523G35.6Very low38.8Very low79 Ų79135.8 Ų135.881%0.81482%0.819SS**PPolyproline II helixtrans-65.9159.4-164.400000118
524C35.8Very low38.9Very low142 Ų142139.7 Ų139.796%0.95983%0.826SS**  trans-117.1116.4159.2-85.30000108.3
525G36.1Very low38.8Very low69 Ų69137.2 Ų137.271%0.71182%0.823SS**  trans-96.7151.4162.900000110.5
526S35.1Very low39.3Very low111 Ų111134.9 Ų134.978%0.77682%0.819SS**  trans66.2105.6161.2-63.40000118.6
527L38.5Very low39.5Very low184 Ų184130.8 Ų130.896%0.96382%0.816SS**  -140.6125.4127.9-83.1-176.9000110.4
528I36.9Very low40Very low148 Ų148130 Ų13076%0.75982%0.817SS**  trans-78.8137.4176.3-65.7162000108.3
529A40.4Very low40.1Very low101 Ų101135.7 Ų135.784%0.83584%0.84SS**  trans-146.2113155.100000109.5
530N35.2Very low39.9Very low154 Ų154135.6 Ų135.682%0.82484%0.84SS**  trans-62.6139.3171.8-73.3-41.9000111
531S40.6Very low39.9Very low119 Ų119133 Ų13383%0.83284%0.836SS**  trans-148.4110.5140.1-164.50000109.3
532S37.5Very low39.8Very low96 Ų96135.2 Ų135.267%0.67184%0.84SS**  trans-53.8157.2163.8-47.20000111.1
533Y39.2Very low39.7Very low202 Ų202135.7 Ų135.779%0.79284%0.841SS**  168.3116.3127.4-98.8-91.2000110.1
534Y40Very low40Very low203 Ų203139.3 Ų139.380%0.79684%0.842SS**  trans62.6113.2153.1-77.7-111.4000119.3
535S39.4Very low40.2Very low118 Ų118139.1 Ų139.183%0.82584%0.835SS**  64.1126.174.2-156.30000112
536G45.8Very low40.5Very low72 Ų72144.1 Ų144.174%0.74284%0.844SS**  cis-166.7177.212.900000111.9
537N39.5Very low41Very low172 Ų172146.6 Ų146.692%0.9285%0.849SS**  trans-87.3137.6-178.8-144.422.4000109.6
538A46.8Very low41.2Very low93 Ų93143.5 Ų143.577%0.76984%0.839SS**  trans-157.8126.6159.600000110.8
539N52.5Low41.5Very low244 Ų244143.1 Ų143.1100%1.30585%0.846SS**  trans80.70-177.2-72.6-13.4000118.4

Retrieved 539 of 539 residues in 188.1 ms (Link to these results)