A0A096MZ30_PAPAN Loading...

Vestigial like family member 1

May act as a specific coactivator for the mammalian TEFs.

AlphaFold DB , UniProt , Accession A0A096MZ30, Species PAPAN (Papio anubis, Olive baboon), Gene VGLL1, Length 258 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.1Very low50.1Low241 Ų241169.2 Ų169.2100%1.18781%0.808SS**  0105.50-163.2173.5-81.700104.9
2E47.3Very low50.3Low185 Ų185165.5 Ų165.586%0.86481%0.808SS**  trans-79.7123.4-168.9-160.1-176.8158.400109.4M4E2-M4 PolarHBondContact O-N 3.15Å; E2-M4 VanDerWaalsContact O-N 3.16Å
3E50Low50.9Low185 Ų185164.1 Ų164.186%0.86480%0.795SS**  trans-70.3107.8-175.2-63-120.5133.700110.4K5E3-K5 VanDerWaalsContact C-N 3.34Å; E3-K5 PolarHBondContact O-N 2.89Å
4M53.8Low51.7Low183 Ų183157.1 Ų157.190%0.90179%0.788SS**  trans-70.391.9172.9-62.8134.2171.100109E2 K6E2-M4 PolarHBondContact O-N 3.15Å; E2-M4 VanDerWaalsContact O-N 3.16Å; M4-K6 VanDerWaalsContact C-N 3.27Å; M4-K6 PolarHBondContact O-N 2.9Å
5K56.7Low53.2Low190 Ų190160.7 Ų160.783%0.82680%0.796SS**  trans-58.191.1165.455.1-166.3172.8-1680109.6E3 T7E3-K5 VanDerWaalsContact C-N 3.34Å; E3-K5 PolarHBondContact O-N 2.89Å; K5-T7 VanDerWaalsContact C-N 3.26Å; K5-T7 PolarHBondContact O-N 3.45Å
6K47.5Very low55.1Low190 Ų190157.1 Ų157.183%0.82678%0.776SS**  trans-65.987.9171.7-174.5175.3178.4177.80107.8M4 D8M4-K6 VanDerWaalsContact C-N 3.27Å; M4-K6 PolarHBondContact O-N 2.9Å; K6-D8 PolarHBondContact O-N 3.1Å
7T51Low57.2Low108 Ų108158.5 Ų158.566%0.66378%0.777SS**  trans-67.3104.1164.546.70000106.3K5 I9K5-T7 VanDerWaalsContact C-N 3.26Å; K5-T7 PolarHBondContact O-N 3.45Å; T7-I9 PolarHBondContact O-N 3.41Å
8D43.6Very low59.3Low137 Ų137152.3 Ų152.373%0.73375%0.751SS**  trans-64.985.3166.5-171.845.8000106.6K6 R10K6-D8 PolarHBondContact O-N 3.1Å; D8-R10 PolarHBondContact O-N 3.4Å
9I54.3Low61.1Low132 Ų132148.8 Ų148.868%0.67774%0.735SS**  trans-68.288168.7-60.7174.7000104.6T7 M11T7-I9 PolarHBondContact O-N 3.41Å; I9-M11 PolarHBondContact O-N 3.1Å
10R59.2Low62.8Low159 Ų159147.2 Ų147.260%0.672%0.723SS**  trans-52.8102.3174.5179.1170.9167-97.54.4107.4D8D8-R10 PolarHBondContact O-N 3.4Å
11M45.3Very low64.4Low151 Ų151143.1 Ų143.174%0.74471%0.707SS**  trans-45.7142.2175.6-68.5-69.5178.400109.7I9 K13I9-M11 PolarHBondContact O-N 3.1Å; M11-K13 PolarHBondContact O-N 2.99Å
12P52.3Low67.1Low125 Ų125135 Ų13581%0.81267%0.666SS**  trans-59.2103.9-177.122.7-30.8000108.6G14P12-G14 PolarHBondContact O-N 3.03Å
13K58.7Low69.5Low147 Ų147135.9 Ų135.964%0.63966%0.661SS**  trans-53.4117.7177.9-150.390.21741780105.4M11 Q16M11-K13 PolarHBondContact O-N 2.99Å; K13-Q16 HydrophobicContact CB-CG 4.35Å
14G62.5Low71.6Confident67 Ų67131.2 Ų131.269%0.69164%0.643SS**SBendtrans-45.6144.7-177.500000111.3P12 Q16P12-G14 PolarHBondContact O-N 3.03Å; G14-Q16 PolarHBondContact O-N 2.94Å
15K73.8Confident73.6Confident211 Ų211128.8 Ų128.892%0.91764%0.644SS**SBendtrans-0.886.2-177-62.7-179.2-177.9-179.40112.6K17K15-K17 PolarHBondContact O-N 2.87Å
16Q83.2Confident75.5Confident102 Ų102131 Ų13148%0.47765%0.647SS.*PPolyproline II helixtrans-55.3132.5-179.8-89.2-172.4-59.200108.8K13 G14 Y32K13-Q16 HydrophobicContact CB-CG 4.35Å; G14-Q16 PolarHBondContact O-N 2.94Å; Q16-Y32 VanDerWaalsContact O-CE1 3.24Å; Q16-Y32 WeakPolarHBondContact O-CE1 3.43Å
17K91.6Very high77.8Confident182 Ų182125 Ų12579%0.79163%0.628SS**PPolyproline II helixtrans-69.9146.6172.1-68.2-178.1177.8-179.50108.8K15 I19K15-K17 PolarHBondContact O-N 2.87Å; K17-I19 PolarHBondContact O-N 2.87Å
18P93.9Very high80Confident46 Ų46122.3 Ų122.330%0.29961%0.611SS.*PPolyproline II helixtrans-54.3137170.6-19.428.7000110.1F30 T31 Y32P18-F30 HydrophobicContact CB-CB 4Å; P18-F30 HydrophobicContact CB-CD1 3.86Å; P18-F30 HydrophobicContact CB-CG 4.39Å; P18-F30 HydrophobicContact CG-CB 3.99Å; P18-F30 HydrophobicContact CG-CD1 3.54Å; P18-F30 HydrophobicContact CG-CE1 4.37Å; P18-F30 HydrophobicContact CG-CG 4.07Å; P18-T31 CarbonylContact C-O 3.54Å; P18-Y32 HydrophobicContact CB-CE1 4.16Å; P18-Y32 HydrophobicContact CG-CE1 3.72Å
19I93.7Very high82.6Confident87 Ų87119.4 Ų119.445%0.44660%0.595SS.*SBendtrans-82.1-34.6176.7-57.6177.5000109.9K17 T31 Y32 Q34K17-I19 PolarHBondContact O-N 2.87Å; I19-T31 PolarHBondContact N-O 2.78Å; I19-Y32 VanDerWaalsContact CD1-O 3.24Å; I19-Y32 WeakPolarHBondContact CD1-O 3.32Å; I19-Q34 HydrophobicContact CD1-CB 4.24Å; I19-Q34 VanDerWaalsContact CG2-OE1 3.26Å
20K95.7Very high84.6Confident115 Ų115118.2 Ų118.250%0.559%0.585SS.*EExtended strand (participates in β ladder)trans-132.7142.5174.4-166-176.6-178.5-163.30110.1E22 T31K20-E22 HydrophobicContact CD-CG 4.26Å; K20-E22 VanDerWaalsContact CD-OE1 3.26Å; K20-E22 WeakPolarHBondContact CD-OE1 3.27Å; K20-E22 WeakPolarHBondContact CE-OE1 3.28Å; K20-E22 HydrophobicContact CG-CG 4.28Å; K20-E22 IonicContact NZ-OE1 2.75Å; K20-E22 PolarHBondContact NZ-OE1 3.03Å; K20-T31 PolarHBondContact N-O 3.48Å; K20-T31 PolarHBondContact O-N 2.83Å
21T96.8Very high86.4Confident62 Ų62112 Ų11238%0.3857%0.565SS.*EExtended strand (participates in β ladder)trans-128.2126.9172.5-55.60000109V28 L29 F30T21-V28 HydrophobicContact CG2-CG1 3.62Å; T21-L29 CarbonylContact C-O 3.54Å; T21-L29 VanDerWaalsContact CA-O 3.27Å; T21-L29 WeakPolarHBondContact CA-O 3.49Å; T21-F30 HydrophobicContact CG2-CD1 3.7Å; T21-F30 HydrophobicContact CG2-CE1 3.42Å; T21-F30 VanDerWaalsContact CG2-CE1 3.42Å; T21-F30 HydrophobicContact CG2-CZ 4.21Å; T21-F30 WeakPolarHBondContact OG1-CD1 3.29Å
22E97.1Very high88.8Confident71 Ų71110.5 Ų110.533%0.33255%0.552SS.*EExtended strand (participates in β ladder)trans-122.7131.8179.5-62.6175-141.700109.8K20 V28 L29K20-E22 HydrophobicContact CD-CG 4.26Å; K20-E22 VanDerWaalsContact CD-OE1 3.26Å; K20-E22 WeakPolarHBondContact CD-OE1 3.27Å; K20-E22 WeakPolarHBondContact CE-OE1 3.28Å; K20-E22 HydrophobicContact CG-CG 4.28Å; K20-E22 IonicContact NZ-OE1 2.75Å; K20-E22 PolarHBondContact NZ-OE1 3.03Å; E22-V28 CarbonylContact O-C 3.59Å; E22-V28 WeakPolarHBondContact O-CA 3.48Å; E22-L29 HydrophobicContact CB-CB 4.27Å; E22-L29 PolarHBondContact N-O 3.26Å; E22-L29 PolarHBondContact O-N 2.92Å
23W98Very high90.8Very high203 Ų203108.4 Ų108.477%0.76953%0.53SS*.EExtended strand (participates in β ladder)trans-106120.3-179.2-64.172.4000109.1V28W23-V28 HydrophobicContact CD2-CG1 4.15Å; W23-V28 HydrophobicContact CD2-CG2 3.83Å; W23-V28 HydrophobicContact CE3-CG2 3.45Å; W23-V28 VanDerWaalsContact CE3-CG2 3.45Å; W23-V28 HydrophobicContact CG-CG1 4.43Å; W23-V28 HydrophobicContact CG-CG2 4.49Å; W23-V28 HydrophobicContact CH2-CG2 4.29Å; W23-V28 HydrophobicContact CZ2-CG1 4.49Å; W23-V28 HydrophobicContact CZ3-CG2 3.71Å
24N94.5Very high92.5Very high88 Ų88108.5 Ų108.547%0.47153%0.533SS..  trans-107.6163.4170-68-81.9000109R26 C27N24-R26 PolarHBondContact O-N 2.94Å; N24-C27 WeakPolarHBondContact CA-O 3.49Å; N24-C27 WeakPolarHBondContact CB-O 3.24Å; N24-C27 PolarHBondContact N-O 3.12Å; N24-C27 PolarHBondContact O-N 3Å; N24-C27 VanDerWaalsContact O-O 3.11Å
25S96.1Very high94Very high132 Ų132107.6 Ų107.692%0.92352%0.524SS*.SBendtrans-57.6-22.718056.40000114.1
26R96.9Very high95.1Very high236 Ų236103.3 Ų103.389%0.89151%0.511SS*.SBendtrans-118.9-11.8-176.8-59.3-178.470.7173.92.5114.6N24N24-R26 PolarHBondContact O-N 2.94Å
27C95.6Very high95.7Very high63 Ų63103.9 Ų103.943%0.42652%0.516SS..  trans-158.5160.3-174.2590000113N24 L29N24-C27 WeakPolarHBondContact CA-O 3.49Å; N24-C27 WeakPolarHBondContact CB-O 3.24Å; N24-C27 PolarHBondContact N-O 3.12Å; N24-C27 PolarHBondContact O-N 3Å; N24-C27 VanDerWaalsContact O-O 3.11Å; C27-L29 HydrophobicContact CB-CD1 4.34Å; C27-L29 WeakPolarHBondContact SG-CD1 3.32Å
28V97.7Very high96Very high53 Ų5399.2 Ų99.232%0.32151%0.506SS..EExtended strand (participates in β ladder)trans-116.3125.9172-173.50000107.9T21 E22 W23 F30T21-V28 HydrophobicContact CG2-CG1 3.62Å; E22-V28 CarbonylContact O-C 3.59Å; E22-V28 WeakPolarHBondContact O-CA 3.48Å; W23-V28 HydrophobicContact CD2-CG1 4.15Å; W23-V28 HydrophobicContact CD2-CG2 3.83Å; W23-V28 HydrophobicContact CE3-CG2 3.45Å; W23-V28 VanDerWaalsContact CE3-CG2 3.45Å; W23-V28 HydrophobicContact CG-CG1 4.43Å; W23-V28 HydrophobicContact CG-CG2 4.49Å; W23-V28 HydrophobicContact CH2-CG2 4.29Å; W23-V28 HydrophobicContact CZ2-CG1 4.49Å; W23-V28 HydrophobicContact CZ3-CG2 3.71Å; V28-F30 HydrophobicContact CB-CE2 4.17Å; V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD2 4.43Å; V28-F30 HydrophobicContact CG1-CE1 4.05Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CZ 3.55Å
29L97.2Very high96.1Very high76 Ų76100.4 Ų100.440%0.39852%0.516SS..EExtended strand (participates in β ladder)trans-101.4129.7179.1-80.964.3000109T21 E22 C27T21-L29 CarbonylContact C-O 3.54Å; T21-L29 VanDerWaalsContact CA-O 3.27Å; T21-L29 WeakPolarHBondContact CA-O 3.49Å; E22-L29 HydrophobicContact CB-CB 4.27Å; E22-L29 PolarHBondContact N-O 3.26Å; E22-L29 PolarHBondContact O-N 2.92Å; C27-L29 HydrophobicContact CB-CD1 4.34Å; C27-L29 WeakPolarHBondContact SG-CD1 3.32Å
30F96.9Very high96.3Very high107 Ų10798.5 Ų98.547%0.46951%0.508SS..EExtended strand (participates in β ladder)trans-115.7118.7175.6-63-76.7000109.6P18 T21 V28 Y32P18-F30 HydrophobicContact CB-CB 4Å; P18-F30 HydrophobicContact CB-CD1 3.86Å; P18-F30 HydrophobicContact CB-CG 4.39Å; P18-F30 HydrophobicContact CG-CB 3.99Å; P18-F30 HydrophobicContact CG-CD1 3.54Å; P18-F30 HydrophobicContact CG-CE1 4.37Å; P18-F30 HydrophobicContact CG-CG 4.07Å; T21-F30 HydrophobicContact CG2-CD1 3.7Å; T21-F30 HydrophobicContact CG2-CE1 3.42Å; T21-F30 VanDerWaalsContact CG2-CE1 3.42Å; T21-F30 HydrophobicContact CG2-CZ 4.21Å; T21-F30 WeakPolarHBondContact OG1-CD1 3.29Å; V28-F30 HydrophobicContact CB-CE2 4.17Å; V28-F30 HydrophobicContact CB-CZ 4.35Å; V28-F30 HydrophobicContact CG1-CD2 4.43Å; V28-F30 HydrophobicContact CG1-CE1 4.05Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CZ 3.55Å; F30-Y32 HydrophobicContact CB-CE2 3.79Å
31T96.4Very high96.4Very high29 Ų2995.8 Ų95.818%0.17850%0.501CS..EExtended strand (participates in β ladder)trans-104.1126.4180-54.50000109.9P18 I19 K20 F33P18-T31 CarbonylContact C-O 3.54Å; I19-T31 PolarHBondContact N-O 2.78Å; K20-T31 PolarHBondContact N-O 3.48Å; K20-T31 PolarHBondContact O-N 2.83Å; T31-F33 HydrophobicContact CG2-CD1 3.71Å; T31-F33 HydrophobicContact CG2-CD2 4.21Å; T31-F33 HydrophobicContact CG2-CE1 3.47Å; T31-F33 VanDerWaalsContact CG2-CE1 3.47Å; T31-F33 HydrophobicContact CG2-CE2 4Å; T31-F33 HydrophobicContact CG2-CG 4.05Å; T31-F33 HydrophobicContact CG2-CZ 3.6Å
32Y96.4Very high96.4Very high119 Ų11997.5 Ų97.547%0.46751%0.508SS..  trans-109.2-7.9-177-64.3-92000113.7Q16 P18 I19 F30Q16-Y32 VanDerWaalsContact O-CE1 3.24Å; Q16-Y32 WeakPolarHBondContact O-CE1 3.43Å; P18-Y32 HydrophobicContact CB-CE1 4.16Å; P18-Y32 HydrophobicContact CG-CE1 3.72Å; I19-Y32 VanDerWaalsContact CD1-O 3.24Å; I19-Y32 WeakPolarHBondContact CD1-O 3.32Å; F30-Y32 HydrophobicContact CB-CE2 3.79Å
33F94.6Very high96.3Very high81 Ų8198.6 Ų98.636%0.35551%0.513SS..  trans-96.6157.3173.766.8-96.6000110.5T31 G35 I37 V40T31-F33 HydrophobicContact CG2-CD1 3.71Å; T31-F33 HydrophobicContact CG2-CD2 4.21Å; T31-F33 HydrophobicContact CG2-CE1 3.47Å; T31-F33 VanDerWaalsContact CG2-CE1 3.47Å; T31-F33 HydrophobicContact CG2-CE2 4Å; T31-F33 HydrophobicContact CG2-CG 4.05Å; T31-F33 HydrophobicContact CG2-CZ 3.6Å; F33-G35 WeakPolarHBondContact CE2-O 3.27Å; F33-I37 HydrophobicContact CE2-CG1 4.05Å; F33-I37 HydrophobicContact CZ-CG1 3.63Å; F33-V40 HydrophobicContact CB-CG1 4.02Å; F33-V40 HydrophobicContact CB-CG2 4.08Å; F33-V40 HydrophobicContact CD2-CB 4.3Å; F33-V40 HydrophobicContact CD2-CG1 4.44Å; F33-V40 HydrophobicContact CD2-CG2 3.67Å; F33-V40 HydrophobicContact CE2-CG2 4.44Å; F33-V40 HydrophobicContact CG-CB 4.45Å; F33-V40 HydrophobicContact CG-CG1 4.1Å; F33-V40 HydrophobicContact CG-CG2 4.06Å
34Q94.3Very high96.3Very high148 Ų14894.9 Ų94.969%0.69250%0.504SS*.  trans-110.8142.6173.5-176.564.940.900108.5I19I19-Q34 HydrophobicContact CD1-CB 4.24Å; I19-Q34 VanDerWaalsContact CG2-OE1 3.26Å
35G93.3Very high96.4Very high48 Ų4896.1 Ų96.150%0.49551%0.505SS..SBendtrans97.7-168.5178.900000113.6F33F33-G35 WeakPolarHBondContact CE2-O 3.27Å
36D96.9Very high96.4Very high121 Ų12193.6 Ų93.665%0.64749%0.488SS*.  trans-74.5143.7-177.9-63.8-25.5000111.8S38 S39 V40D36-S38 VanDerWaalsContact C-N 3.3Å; D36-S38 PolarHBondContact O-N 3.22Å; D36-S39 PolarHBondContact O-N 2.78Å; D36-V40 PolarHBondContact O-N 2.91Å; D36-V40 VanDerWaalsContact O-N 3.17Å
37I96.2Very high96.3Very high115 Ų11590 Ų9059%0.5947%0.474SS*.Hα-helixtrans-57-47.3179.5-64.1163.3000110.1F33 S39 V40 V41F33-I37 HydrophobicContact CE2-CG1 4.05Å; F33-I37 HydrophobicContact CZ-CG1 3.63Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.76Å; I37-V40 PolarHBondContact O-N 3.04Å; I37-V41 HydrophobicContact CG2-CG2 3.97Å; I37-V41 VanDerWaalsContact O-CB 3.31Å; I37-V41 WeakPolarHBondContact O-CB 3.17Å; I37-V41 WeakPolarHBondContact O-CG2 3.31Å; I37-V41 PolarHBondContact O-N 2.69Å
38S97.4Very high96.4Very high83 Ų8390 Ų9058%0.5848%0.478SS*.Hα-helixtrans-57.3-46.8-178-51.40000111.6D36 V40 V41 D42D36-S38 VanDerWaalsContact C-N 3.3Å; D36-S38 PolarHBondContact O-N 3.22Å; S38-V40 PolarHBondContact O-N 2.9Å; S38-V41 PolarHBondContact O-N 2.97Å; S38-D42 WeakPolarHBondContact O-CB 3.5Å; S38-D42 PolarHBondContact O-N 3.44Å
39S97Very high96.2Very high71 Ų7192.2 Ų92.250%0.49749%0.488SS..Hα-helixtrans-64.2-42.4179.9-54.80000112.7D36 I37 V41 D42 E43D36-S39 PolarHBondContact O-N 2.78Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 2.76Å; S39-V41 VanDerWaalsContact C-N 3.31Å; S39-V41 PolarHBondContact O-N 3.04Å; S39-D42 PolarHBondContact O-N 3.01Å; S39-E43 WeakPolarHBondContact O-CB 3.48Å; S39-E43 PolarHBondContact O-N 3.12Å
40V97.1Very high95.8Very high47 Ų4792.6 Ų92.629%0.28550%0.496SS..Hα-helixtrans-65.9-38.3177.6173.30000111.1F33 D36 I37 S38 H44F33-V40 HydrophobicContact CB-CG1 4.02Å; F33-V40 HydrophobicContact CB-CG2 4.08Å; F33-V40 HydrophobicContact CD2-CB 4.3Å; F33-V40 HydrophobicContact CD2-CG1 4.44Å; F33-V40 HydrophobicContact CD2-CG2 3.67Å; F33-V40 HydrophobicContact CE2-CG2 4.44Å; F33-V40 HydrophobicContact CG-CB 4.45Å; F33-V40 HydrophobicContact CG-CG1 4.1Å; F33-V40 HydrophobicContact CG-CG2 4.06Å; D36-V40 PolarHBondContact O-N 2.91Å; D36-V40 VanDerWaalsContact O-N 3.17Å; I37-V40 PolarHBondContact O-N 3.04Å; S38-V40 PolarHBondContact O-N 2.9Å; V40-H44 WeakPolarHBondContact O-CB 2.92Å; V40-H44 PolarHBondContact O-N 2.81Å
41V97.2Very high95Very high59 Ų5994 Ų9436%0.35851%0.509SS..Hα-helixtrans-67-47176.1169.70000110.6I37 S38 S39 E43 H44 F45I37-V41 HydrophobicContact CG2-CG2 3.97Å; I37-V41 VanDerWaalsContact O-CB 3.31Å; I37-V41 WeakPolarHBondContact O-CB 3.17Å; I37-V41 WeakPolarHBondContact O-CG2 3.31Å; I37-V41 PolarHBondContact O-N 2.69Å; S38-V41 PolarHBondContact O-N 2.97Å; S39-V41 VanDerWaalsContact C-N 3.31Å; S39-V41 PolarHBondContact O-N 3.04Å; V41-E43 VanDerWaalsContact C-N 3.34Å; V41-E43 PolarHBondContact O-N 2.89Å; V41-H44 WeakPolarHBondContact O-CA 3.26Å; V41-H44 VanDerWaalsContact O-CB 3.31Å; V41-H44 WeakPolarHBondContact O-CB 3.5Å; V41-H44 PolarHBondContact O-N 2.88Å; V41-H44 VanDerWaalsContact O-N 3.09Å; V41-F45 HydrophobicContact CG1-CD2 3.55Å; V41-F45 HydrophobicContact CG1-CE2 3.37Å; V41-F45 WeakPolarHBondContact O-CD2 3.16Å; V41-F45 PolarHBondContact O-N 2.91Å
42D96.9Very high94.2Very high97 Ų9798.3 Ų98.352%0.51953%0.53SS..Hα-helixtrans-63-39.5178.8-71.9-10.3000112S38 S39 H44 F45 S46S38-D42 WeakPolarHBondContact O-CB 3.5Å; S38-D42 PolarHBondContact O-N 3.44Å; S39-D42 PolarHBondContact O-N 3.01Å; D42-H44 VanDerWaalsContact C-N 3.34Å; D42-F45 PolarHBondContact O-N 3.16Å; D42-S46 VanDerWaalsContact O-CB 3.26Å; D42-S46 WeakPolarHBondContact O-CB 3.45Å; D42-S46 PolarHBondContact O-N 3.05Å; D42-S46 PolarHBondContact O-OG 3.12Å
43E96.7Very high92.9Very high95 Ų95100.9 Ų100.944%0.44454%0.543SS..Hα-helixtrans-61.2-43.8172.1-179.4-175.4116.900111.2S39 V41 S46 R47S39-E43 WeakPolarHBondContact O-CB 3.48Å; S39-E43 PolarHBondContact O-N 3.12Å; V41-E43 VanDerWaalsContact C-N 3.34Å; V41-E43 PolarHBondContact O-N 2.89Å; E43-S46 PolarHBondContact O-N 2.91Å; E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.31Å; E43-R47 PolarHBondContact O-N 3.45Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 2.64Å; E43-R47 IonicContact OE1-NH1 2.69Å; E43-R47 PolarHBondContact OE1-NH1 3.03Å; E43-R47 IonicContact OE1-NH2 3.86Å; E43-R47 PolarHBondContact OE1-NH2 2.85Å; E43-R47 IonicContact OE2-NH2 2.81Å
44H96.8Very high91.5Very high124 Ų124101.5 Ų101.557%0.57456%0.558SS**Hα-helixtrans-60.3-47.9176.917581.9000111.5V40 V41 D42 R47 A48V40-H44 WeakPolarHBondContact O-CB 2.92Å; V40-H44 PolarHBondContact O-N 2.81Å; V41-H44 WeakPolarHBondContact O-CA 3.26Å; V41-H44 VanDerWaalsContact O-CB 3.31Å; V41-H44 WeakPolarHBondContact O-CB 3.5Å; V41-H44 PolarHBondContact O-N 2.88Å; V41-H44 VanDerWaalsContact O-N 3.09Å; D42-H44 VanDerWaalsContact C-N 3.34Å; H44-R47 PolarHBondContact O-N 2.79Å; H44-A48 PolarHBondContact O-N 2.95Å
45F96.7Very high89.9Confident115 Ų115100.4 Ų100.450%0.50456%0.564SS.*Hα-helixtrans-64.5-45.9177.1-79.8-71.9000111.9V41 D42 R47 A48 L49V41-F45 HydrophobicContact CG1-CD2 3.55Å; V41-F45 HydrophobicContact CG1-CE2 3.37Å; V41-F45 WeakPolarHBondContact O-CD2 3.16Å; V41-F45 PolarHBondContact O-N 2.91Å; D42-F45 PolarHBondContact O-N 3.16Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3Å; F45-A48 WeakPolarHBondContact O-CB 3.38Å; F45-A48 PolarHBondContact O-N 2.89Å; F45-L49 VanDerWaalsContact O-CG 3.29Å; F45-L49 WeakPolarHBondContact O-CG 3.24Å; F45-L49 PolarHBondContact O-N 3.07Å
46S96.1Very high88Confident79 Ų79105.5 Ų105.555%0.55257%0.574SS**Hα-helixtrans-57.7-40.7177.6-60.60000111.5D42 E43 L49 S50D42-S46 VanDerWaalsContact O-CB 3.26Å; D42-S46 WeakPolarHBondContact O-CB 3.45Å; D42-S46 PolarHBondContact O-N 3.05Å; D42-S46 PolarHBondContact O-OG 3.12Å; E43-S46 PolarHBondContact O-N 2.91Å; S46-L49 PolarHBondContact O-N 2.84Å; S46-S50 WeakPolarHBondContact O-CA 3.24Å; S46-S50 VanDerWaalsContact O-CB 3.27Å; S46-S50 WeakPolarHBondContact O-CB 3.4Å; S46-S50 PolarHBondContact O-N 3.06Å
47R96.1Very high85.8Confident161 Ų161108.1 Ų108.161%0.60858%0.583SS**Hα-helixtrans-67-38174.2-76.1177.6175.7152.110.2113.4E43 H44 F45 L49 S50E43-R47 WeakPolarHBondContact O-CB 3.17Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.31Å; E43-R47 PolarHBondContact O-N 3.45Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 2.64Å; E43-R47 IonicContact OE1-NH1 2.69Å; E43-R47 PolarHBondContact OE1-NH1 3.03Å; E43-R47 IonicContact OE1-NH2 3.86Å; E43-R47 PolarHBondContact OE1-NH2 2.85Å; E43-R47 IonicContact OE2-NH2 2.81Å; H44-R47 PolarHBondContact O-N 2.79Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3Å; R47-L49 VanDerWaalsContact C-N 3.3Å; R47-S50 PolarHBondContact O-OG 3.29Å
48A95.8Very high83.5Confident61 Ų61110.5 Ų110.550%0.50460%0.596SS.*Hα-helixtrans-66.9-36177.500000111.5H44 F45H44-A48 PolarHBondContact O-N 2.95Å; F45-A48 WeakPolarHBondContact O-CB 3.38Å; F45-A48 PolarHBondContact O-N 2.89Å
49L93.5Very high81.2Confident101 Ų101112.1 Ų112.153%0.52960%0.603SS.*Hα-helixtrans-93.2-12.9-176-56.2177.6000113.7F45 S46 R47 N51 I52F45-L49 VanDerWaalsContact O-CG 3.29Å; F45-L49 WeakPolarHBondContact O-CG 3.24Å; F45-L49 PolarHBondContact O-N 3.07Å; S46-L49 PolarHBondContact O-N 2.84Å; R47-L49 VanDerWaalsContact C-N 3.3Å; L49-N51 PolarHBondContact O-N 2.8Å; L49-N51 VanDerWaalsContact O-N 3.12Å; L49-I52 HydrophobicContact CB-CD1 4.35Å; L49-I52 HydrophobicContact CD2-CD1 3.43Å; L49-I52 VanDerWaalsContact CD2-CD1 3.43Å; L49-I52 HydrophobicContact CG-CD1 4.48Å; L49-I52 WeakPolarHBondContact O-CB 3.49Å; L49-I52 PolarHBondContact O-N 3.4Å
50S89.6Confident78.8Confident83 Ų83115.1 Ų115.158%0.5862%0.62SS**THydrogen-bonded Turntrans-60.7-26.4-174.562.80000114.4S46 R47S46-S50 WeakPolarHBondContact O-CA 3.24Å; S46-S50 VanDerWaalsContact O-CB 3.27Å; S46-S50 WeakPolarHBondContact O-CB 3.4Å; S46-S50 PolarHBondContact O-N 3.06Å; R47-S50 PolarHBondContact O-OG 3.29Å
51N79.6Confident76.6Confident138 Ų138117.8 Ų117.874%0.73864%0.641SS**THydrogen-bonded Turntrans-97.1-1.5179.7-67-35.4000113.5L49 K53L49-N51 PolarHBondContact O-N 2.8Å; L49-N51 VanDerWaalsContact O-N 3.12Å; N51-K53 PolarHBondContact O-N 3.15Å
52I80.3Confident74Confident118 Ų118120.5 Ų120.561%0.60566%0.663SS**  trans-76.680.7168.9-52.6176.8000105.5L49 S54L49-I52 HydrophobicContact CB-CD1 4.35Å; L49-I52 HydrophobicContact CD2-CD1 3.43Å; L49-I52 VanDerWaalsContact CD2-CD1 3.43Å; L49-I52 HydrophobicContact CG-CD1 4.48Å; L49-I52 WeakPolarHBondContact O-CB 3.49Å; L49-I52 PolarHBondContact O-N 3.4Å; I52-S54 PolarHBondContact O-N 3.2Å; I52-S54 VanDerWaalsContact O-N 3.12Å
53K69Low71.8Confident173 Ų173125.1 Ų125.175%0.75268%0.681SS**  trans-48124166.9-62.7173.8-179.3179.40105.7N51N51-K53 PolarHBondContact O-N 3.15Å
54S64.8Low69.5Low95 Ų95126.1 Ų126.166%0.66470%0.698SS**  trans-47.3135.7159.456.60000105.9I52 Q56I52-S54 PolarHBondContact O-N 3.2Å; I52-S54 VanDerWaalsContact O-N 3.12Å; S54-Q56 VanDerWaalsContact C-N 3.3Å; S54-Q56 PolarHBondContact O-N 3.17Å
55P61Low67.1Low125 Ų125128.7 Ų128.781%0.81271%0.711SS**  trans-50.2107.8177.319.2-29.5000105.8E57P55-E57 PolarHBondContact O-N 3.35Å
56Q53.5Low65Low154 Ų154128.6 Ų128.672%0.7272%0.724SS**  trans-53118.1-174.8178.2166.54.800104.3S54 L58S54-Q56 VanDerWaalsContact C-N 3.3Å; S54-Q56 PolarHBondContact O-N 3.17Å; Q56-L58 PolarHBondContact O-N 2.91Å
57E51.3Low62.7Low177 Ų177130.7 Ų130.783%0.82773%0.733SS**  trans-43.8111.8176.6-71.2-169147.600106.4P55 T59P55-E57 PolarHBondContact O-N 3.35Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.41Å
58L47.8Very low60.3Low165 Ų165131.3 Ų131.386%0.86475%0.745SS**  trans-61.1100.8-176.3-67.4171.6000105.9Q56 P60Q56-L58 PolarHBondContact O-N 2.91Å; L58-P60 WeakPolarHBondContact O-CD 3.35Å; L58-P60 VanDerWaalsContact O-N 3.14Å
59T48.8Very low58Low117 Ų117136 Ų13672%0.71876%0.761SS**  trans-48.2120.1160.943.40000106.8E57 S61E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.41Å; T59-S61 VanDerWaalsContact C-N 3.29Å; T59-S61 PolarHBondContact O-N 3.39Å
60P46.9Very low55.7Low134 Ų134138.7 Ų138.787%0.8777%0.768SS**  trans-79.184.7-17532.2-31.9000107.6L58L58-P60 WeakPolarHBondContact O-CD 3.35Å; L58-P60 VanDerWaalsContact O-N 3.14Å
61S50.3Low53.8Low103 Ų103141.8 Ų141.872%0.7278%0.778SS**  trans-156.890168.5-167.20000111.5T59T59-S61 VanDerWaalsContact C-N 3.29Å; T59-S61 PolarHBondContact O-N 3.39Å
62S42.7Very low52.2Low116 Ų116140.2 Ų140.281%0.81177%0.77SS**  144126.4119.761.60000110.4
63Q50.8Low51Low194 Ų194142.1 Ų142.191%0.90778%0.782SS**  trans-55.2130.1-178.9-67.6164.8-29.500111.5
64S48.4Very low50.4Low115 Ų115138.3 Ų138.380%0.80478%0.777SS**  -178.7130.8124.138.20000111.3
65E47Very low50Low178 Ų178140.1 Ų140.183%0.83278%0.777SS**  trans6697.2159.2-146.8159.6-164.700118.3V67E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 3.09Å
66S51.5Low49.9Very low113 Ų113137.2 Ų137.279%0.7976%0.759SS**  trans-62.389.5165.562.40000110.8M68S66-M68 PolarHBondContact O-N 3.42Å; S66-M68 VanDerWaalsContact O-N 3.15Å
67V48.8Very low50.2Low123 Ų123135.1 Ų135.175%0.74576%0.759SS**  trans-75.699.9157.9-177.80000106.5E65 L69E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 3.09Å; V67-L69 PolarHBondContact O-N 3.07Å
68M43.9Very low50.5Low174 Ų174133 Ų13386%0.85775%0.753SS**  trans-51.8101.7166.8-77.2-172.9173.400108.9S66 K70S66-M68 PolarHBondContact O-N 3.42Å; S66-M68 VanDerWaalsContact O-N 3.15Å; M68-K70 PolarHBondContact O-N 2.82Å
69L49Very low50.7Low160 Ų160131.3 Ų131.384%0.83874%0.741SS**  trans-69.884.3159.4-93.2163.3000107V67 N71V67-L69 PolarHBondContact O-N 3.07Å; L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.45Å
70K43.7Very low50.6Low157 Ų157134.7 Ų134.768%0.68374%0.74SS**  trans-60.597164176.3173.6156.1-176.10106.9M68 D72M68-K70 PolarHBondContact O-N 2.82Å; K70-D72 VanDerWaalsContact C-N 3.3Å; K70-D72 VanDerWaalsContact CE-OD1 3.28Å; K70-D72 WeakPolarHBondContact CE-OD1 3.27Å; K70-D72 VanDerWaalsContact CE-OD2 3.27Å; K70-D72 WeakPolarHBondContact CE-OD2 3.38Å; K70-D72 IonicContact NZ-OD2 3.77Å; K70-D72 PolarHBondContact O-N 2.76Å
71N51.1Low50.9Low148 Ų148138.4 Ų138.479%0.79174%0.737SS**  trans-63.296.5162-96.8-72.5000106.9L69 D73L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.45Å; N71-D73 PolarHBondContact O-N 2.69Å
72D45.3Very low50.5Low106 Ų106142.1 Ų142.157%0.56774%0.737SS**  trans-73.186.3159.1-94.3-32.5000107.3K70 S74K70-D72 VanDerWaalsContact C-N 3.3Å; K70-D72 VanDerWaalsContact CE-OD1 3.28Å; K70-D72 WeakPolarHBondContact CE-OD1 3.27Å; K70-D72 VanDerWaalsContact CE-OD2 3.27Å; K70-D72 WeakPolarHBondContact CE-OD2 3.38Å; K70-D72 IonicContact NZ-OD2 3.77Å; K70-D72 PolarHBondContact O-N 2.76Å; D72-S74 PolarHBondContact O-N 2.66Å
73D56.1Low50.6Low157 Ų157141.9 Ų141.984%0.8474%0.735SS**  trans-6676.7164.5-175.233.7000109.8N71N71-D73 PolarHBondContact O-N 2.69Å
74S55.3Low50.3Low94 Ų94136.7 Ų136.766%0.65772%0.72SS**  trans-158.762.3160.759.50000111.6D72 S76D72-S74 PolarHBondContact O-N 2.66Å; S74-S76 PolarHBondContact O-N 2.94Å
75M56.3Low50.4Low133 Ų133137.5 Ų137.566%0.65572%0.723SS**  trans-68.4104.1160.6-67-64.4131.100107.7Q79M75-Q79 PolarHBondContact SD-OE1 2.79Å
76S59.3Low50Low63 Ų63140.4 Ų140.444%0.44173%0.726SS.*  trans-58143.4175.780.30000109.6S74 N78 Q79S74-S76 PolarHBondContact O-N 2.94Å; S76-N78 PolarHBondContact O-N 2.79Å; S76-Q79 PolarHBondContact O-N 2.91Å
77P58.9Low49.5Very low111 Ų111140.9 Ų140.972%0.72173%0.725SS**G310 helixtrans-53.7-14.5-175.1-29.235.3000115.8
78N58.1Low49.2Very low131 Ų131144.3 Ų144.370%0.70173%0.73SS**G310 helixtrans-92.5-2.4-171.9-56.6-36.7000114.5S76 W80S76-N78 PolarHBondContact O-N 2.79Å; N78-W80 VanDerWaalsContact C-N 3.32Å; N78-W80 PolarHBondContact O-N 3.43Å
79Q53.3Low49.1Very low131 Ų131142 Ų14261%0.61273%0.727SS**G310 helixtrans-82-5.3-178.2-168.1167.8-9.800114.1M75 S76 R81M75-Q79 PolarHBondContact SD-OE1 2.79Å; S76-Q79 PolarHBondContact O-N 2.91Å; Q79-R81 PolarHBondContact O-N 3.26Å
80W45.8Very low49Very low187 Ų187142.4 Ų142.471%0.70873%0.725SS**  trans-74.329.6171.7-64.990.1000113.5N78 Y82N78-W80 VanDerWaalsContact C-N 3.32Å; N78-W80 PolarHBondContact O-N 3.43Å; W80-Y82 HydrophobicContact CB-CE2 4.47Å; W80-Y82 AromaticContact CE3-CE2 3.94Å; W80-Y82 HydrophobicContact CE3-CE2 3.94Å; W80-Y82 AromaticContact CE3-CZ 3.71Å; W80-Y82 VanDerWaalsContact CE3-OH 3.31Å; W80-Y82 VanDerWaalsContact CZ3-OH 3.32Å; W80-Y82 WeakPolarHBondContact CZ3-OH 3.41Å; W80-Y82 VanDerWaalsContact O-CD2 3.24Å; W80-Y82 WeakPolarHBondContact O-CD2 3.45Å; W80-Y82 PolarHBondContact O-N 3.5Å
81R53.4Low49.2Very low213 Ų213140.4 Ų140.480%0.80473%0.728SS**  trans-74.183166.9-69.1-86-178.6164-0.9107.1Q79 S83Q79-R81 PolarHBondContact O-N 3.26Å; R81-S83 PolarHBondContact O-N 2.9Å
82Y40.8Very low48.7Very low180 Ų180142.4 Ų142.471%0.70673%0.733SS**  trans-51.492.9163.8-67.3-86.1000108.7W80 S84W80-Y82 HydrophobicContact CB-CE2 4.47Å; W80-Y82 AromaticContact CE3-CE2 3.94Å; W80-Y82 HydrophobicContact CE3-CE2 3.94Å; W80-Y82 AromaticContact CE3-CZ 3.71Å; W80-Y82 VanDerWaalsContact CE3-OH 3.31Å; W80-Y82 VanDerWaalsContact CZ3-OH 3.32Å; W80-Y82 WeakPolarHBondContact CZ3-OH 3.41Å; W80-Y82 VanDerWaalsContact O-CD2 3.24Å; W80-Y82 WeakPolarHBondContact O-CD2 3.45Å; W80-Y82 PolarHBondContact O-N 3.5Å; Y82-S84 PolarHBondContact O-N 3.46Å
83S45.7Very low48.8Very low112 Ų112143 Ų14378%0.78374%0.74SS**  trans-80.780.8167-61.70000106.1R81R81-S83 PolarHBondContact O-N 2.9Å
84S44.3Very low48.2Very low84 Ų84141.2 Ų141.259%0.58774%0.737SS**  trans-59.3129.7165-60.90000107.8Y82 W86Y82-S84 PolarHBondContact O-N 3.46Å; S84-W86 PolarHBondContact O-N 3.26Å
85P51Low47.4Very low133 Ų133143.1 Ų143.186%0.86474%0.744SS**SBendtrans-73.315.5-178.229.8-34.1000113.3T87P85-T87 PolarHBondContact O-N 3.17Å
86W38.2Very low46.6Very low238 Ų238141.9 Ų141.990%0.90274%0.744SS**  trans-94.524.5-175.5-161.5-103.9000114.4S84S84-W86 PolarHBondContact O-N 3.26Å
87T42.2Very low46.1Very low123 Ų123146 Ų14676%0.75576%0.761SS**  trans-111103.3163.6-44.30000107.7P85P85-T87 PolarHBondContact O-N 3.17Å
88K42.2Very low45.1Very low196 Ų196151.7 Ų151.785%0.85277%0.769SS**  trans-45.9127.2163.2-92.1175.9171.1176.20107.9Q90K88-Q90 PolarHBondContact O-N 3.29Å
89P40.6Very low44.3Very low125 Ų125150.3 Ų150.381%0.81278%0.775SS**  trans-63.3114.4165.924.7-29.1000107
90Q47.8Very low43.5Very low169 Ų169147.6 Ų147.679%0.7978%0.775SS**  trans-65.3141.9163.1-132.5-146.4-6.400107.1K88 E92K88-Q90 PolarHBondContact O-N 3.29Å; Q90-E92 PolarHBondContact O-N 3.42Å
91P47.5Very low43.2Very low114 Ų114145.7 Ų145.774%0.7478%0.779SS**  trans-64.3103.5173.2-18.531.3000109.2V93P91-V93 PolarHBondContact O-N 2.95Å; P91-V93 VanDerWaalsContact O-N 3.12Å
92E40.7Very low42.4Very low190 Ų190141.2 Ų141.289%0.88878%0.779SS**  trans-65.4108.5168.7-73.4-171.416500108.3Q90Q90-E92 PolarHBondContact O-N 3.42Å
93V47.2Very low42.2Very low120 Ų120140 Ų14073%0.72779%0.785SS**  trans-72.1125.6162.5-84.10000108.2P91 V95P91-V93 PolarHBondContact O-N 2.95Å; P91-V93 VanDerWaalsContact O-N 3.12Å; V93-V95 PolarHBondContact O-N 3Å
94P43Very low41.9Very low118 Ų118143 Ų14377%0.76679%0.791SS**  trans-71.3103.6174.526.5-30.4000109.2T96P94-T96 VanDerWaalsContact C-N 3.31Å; P94-T96 PolarHBondContact O-N 3.28Å; P94-T96 VanDerWaalsContact O-N 3.1Å
95V39.7Very low41.6Very low134 Ų134146.8 Ų146.881%0.81280%0.799SS**  trans-79.587.9164.6174.10000107.5V93 N97V93-V95 PolarHBondContact O-N 3Å; V95-N97 PolarHBondContact O-N 2.8Å
96T39.2Very low41.3Very low108 Ų108146.9 Ų146.966%0.66380%0.797SS**  trans-65.5121.5161.8-49.40000108.1P94 R98P94-T96 VanDerWaalsContact C-N 3.31Å; P94-T96 PolarHBondContact O-N 3.28Å; P94-T96 VanDerWaalsContact O-N 3.1Å; T96-R98 PolarHBondContact O-N 2.88Å; T96-R98 VanDerWaalsContact O-N 3.1Å
97N48.9Very low41.8Very low149 Ų149140.3 Ų140.380%0.79779%0.785SS**  trans-63.5102.9164.760-20.9000109.5V95V95-N97 PolarHBondContact O-N 2.8Å
98R37.3Very low41.4Very low231 Ų231139.5 Ų139.587%0.87278%0.784SS**  trans-142.6108.8160.7-151172.1-179.3171.2-0.4110.6T96 A100T96-R98 PolarHBondContact O-N 2.88Å; T96-R98 VanDerWaalsContact O-N 3.1Å; R98-A100 PolarHBondContact O-N 2.85Å
99A40.8Very low41.8Very low101 Ų101135.6 Ų135.684%0.83578%0.779SS**  trans-58.9125.116600000109.5
100A36.3Very low41.6Very low75 Ų75137.7 Ų137.762%0.6278%0.78SS**  trans-153.888.215900000108.8R98 C102R98-A100 PolarHBondContact O-N 2.85Å; A100-C102 PolarHBondContact O-N 3.3Å
101N39.5Very low41.1Very low146 Ų146134 Ų13478%0.78178%0.778SS**  trans-19.8115.1145.639.7-17.2000115.6
102C38.2Very low40.5Very low120 Ų120134.9 Ų134.981%0.81178%0.781SS**  trans-130.9100.4158-53.20000108.4A100A100-C102 PolarHBondContact O-N 3.3Å
103N36.2Very low40.2Very low154 Ų154131.6 Ų131.682%0.82477%0.77SS**  trans-74.1127.1168.9-73.6-71.7000109.3
104L39.6Very low39.8Very low175 Ų175134.2 Ų134.292%0.91677%0.774SS**  trans-125104159.3-79.9169.9000108.7
105H38.7Very low39.5Very low164 Ų164137.4 Ų137.476%0.75978%0.776SS**  trans-78.6122.2173.2167.3-77.5000109.5
106V43Very low39.3Very low134 Ų134136.6 Ų136.681%0.81278%0.777SS**  trans-140.9137.5159.5-178.20000108.4
107P49.3Very low39.5Very low101 Ų101137 Ų13766%0.65678%0.781SS**  trans-88.3148.2-158.93.615.9000113.9
108S34.8Very low38.7Very low105 Ų105134.9 Ų134.973%0.73478%0.778SS**  trans-77.3157.1159.9-1670000110
109P48.7Very low38.7Very low114 Ų114132.3 Ų132.374%0.7478%0.78SS**  -149.5147.393.135-16.3000115.9
110M37.8Very low38.4Very low170 Ų170132.1 Ų132.184%0.83778%0.779SS**  trans158.198.1137.1-75.8-104165.600106.7
111A36.2Very low38.2Very low91 Ų91139.5 Ų139.575%0.75279%0.791SS**  54.7117.693.700000110.9
112V34.6Very low37.7Very low132 Ų132144.4 Ų144.480%0.880%0.798SS**  cis-162.3163.540.21700000108
113N36.3Very low37.5Very low121 Ų121142.7 Ų142.765%0.64779%0.793SS**  trans100.968.7164.5-1078.5000118.4F115N113-F115 PolarHBondContact O-N 3.37Å
114Q38.5Very low37.6Very low175 Ų175139.8 Ų139.882%0.81879%0.785SS**  -7.7110.6126.3-58179.371.700115.2
115F35.4Very low37.4Very low186 Ų186137.8 Ų137.882%0.81678%0.779SS**  trans-153.5112.9137-75.7-68.2000109.2N113N113-F115 PolarHBondContact O-N 3.37Å
116S35.9Very low37.3Very low117 Ų117139.6 Ų139.682%0.81878%0.779SS**  trans-120.6143.7148.3-73.10000106.1
117P44.3Very low37.1Very low117 Ų117139.7 Ų139.776%0.7678%0.783SS**  -143.4146.3112.832.3-15.2000115.8
118S30.8Very low36.5Very low103 Ų103137.8 Ų137.872%0.7278%0.781SS**  trans7094.6140.355.30000121.5
119L37.1Very low37.2Very low177 Ų177141.5 Ų141.593%0.92779%0.787SS**  19.2102106.5-159.695.8000117.2
120A35.9Very low37.2Very low98 Ų98142.1 Ų142.181%0.8178%0.784SS**  trans-134.289.3153.600000110.1
121R30.9Very low37.2Very low230 Ų230145.5 Ų145.587%0.86879%0.787SS**  trans37.894139.9-162.2170-65.4134.52.7117.1A123R121-A123 PolarHBondContact O-N 3.38Å; R121-A123 VanDerWaalsContact O-N 3.15Å
122R30.8Very low37.8Very low248 Ų248147.8 Ų147.894%0.93678%0.782SS**  trans-58.3106.7159.6-157.1178.6-156.4-138.14.8109.6
123A32.6Very low37.8Very low84 Ų84150.9 Ų150.969%0.69479%0.785SS**  trans-91.8103163.900000108.4R121 V125R121-A123 PolarHBondContact O-N 3.38Å; R121-A123 VanDerWaalsContact O-N 3.15Å; A123-V125 PolarHBondContact O-N 3.18Å
124S38.2Very low37.8Very low94 Ų94151 Ų15166%0.65780%0.796SS**  trans-69.5100.7166.5153.20000108.3
125V35.6Very low37.7Very low133 Ų133147.6 Ų147.681%0.80679%0.791SS**  trans-90.6118.8170.8179.90000108.8A123A123-V125 PolarHBondContact O-N 3.18Å
126R37.6Very low38.1Very low201 Ų201146.6 Ų146.676%0.75879%0.793SS**  trans-60.9144.3173.7-63.1-93.493.8172.95.9110.2G128R126-G128 PolarHBondContact O-N 2.75Å
127P37.9Very low37.9Very low136 Ų136145.8 Ų145.888%0.88379%0.793SS**  trans-8193.316419.2-5.5000108.1
128G36.3Very low37.3Very low61 Ų61143.3 Ų143.363%0.62979%0.79SS**  trans-100.1126.117100000109.6R126 L130R126-G128 PolarHBondContact O-N 2.75Å; G128-L130 PolarHBondContact O-N 3.35Å
129E50.1Low37.4Very low184 Ų184145 Ų14586%0.8680%0.795SS**  trans-42.6120.4176.1-62.5153.1141.300112
130L47.7Very low37.1Very low127 Ų127142 Ų14267%0.66579%0.789SS**  trans-153.574.5169.4-126.265.3000108.9G128 H132G128-L130 PolarHBondContact O-N 3.35Å; L130-H132 VanDerWaalsContact CD2-CD2 3.5Å; L130-H132 WeakPolarHBondContact CD2-CD2 3.43Å; L130-H132 WeakPolarHBondContact CD2-NE2 2.96Å; L130-H132 WeakPolarHBondContact CG-NE2 3.45Å; L130-H132 PolarHBondContact O-N 3.33Å
131W39.4Very low37.2Very low240 Ų240142 Ų14291%0.90978%0.783SS**  trans-67.683.5160-72104.4000108F133W131-F133 PolarHBondContact O-N 3.39Å
132H47.3Very low37.7Very low139 Ų139138.6 Ų138.664%0.64478%0.782SS**  trans-81.8102.6168.3-74.5-49.4000109L130 S134L130-H132 VanDerWaalsContact CD2-CD2 3.5Å; L130-H132 WeakPolarHBondContact CD2-CD2 3.43Å; L130-H132 WeakPolarHBondContact CD2-NE2 2.96Å; L130-H132 WeakPolarHBondContact CG-NE2 3.45Å; L130-H132 PolarHBondContact O-N 3.33Å; H132-S134 PolarHBondContact O-N 3.32Å
133F34.8Very low38.2Very low198 Ų198133.8 Ų133.887%0.86877%0.77SS**  trans-52.4106157.4-65.2-87.9000108.1W131 S135W131-F133 PolarHBondContact O-N 3.39Å; F133-S135 PolarHBondContact O-N 3Å
134S36.8Very low38.7Very low124 Ų124135.8 Ų135.887%0.86778%0.776SS**  trans-79.9107.1167-65.40000107.3H132H132-S134 PolarHBondContact O-N 3.32Å
135S36.9Very low38.7Very low102 Ų102133.1 Ų133.171%0.71376%0.763SS**  trans-133.3130.4165.7-150.30000110.6F133F133-S135 PolarHBondContact O-N 3Å
136L44Very low38.8Very low166 Ų166138 Ų13887%0.86977%0.769SS**  trans103.6137.7149.4-71.4151.2000120.7
137A30.7Very low38.9Very low99 Ų99133.9 Ų133.982%0.81877%0.771SS**  trans74.8118171.600000115.2
138G32Very low39Very low66 Ų66136.7 Ų136.768%0.6877%0.772SS**  cis9387.829.200000110.1
139T32.1Very low39.2Very low137 Ų137137.3 Ų137.384%0.8477%0.771SS**  trans167.6122.813035.40000111.7
140S32.5Very low38.8Very low114 Ų114138.4 Ų138.480%0.79777%0.773SS**  trans58.2132.2145.568.30000123.5
141S37.5Very low39Very low98 Ų98137.2 Ų137.269%0.68577%0.773SS**  93.391125.8-176.20000119.2
142L41Very low39.1Very low160 Ų160130.8 Ų130.884%0.83877%0.771SS**  162.7119.1105-93.2147.3000110.5
143E40.3Very low38.6Very low146 Ų146135 Ų13568%0.68278%0.781SS**  trans-81.2147.9164.2-172.7-110.6-179.400109.1G145E143-G145 WeakPolarHBondContact OE1-CA 3.26Å; E143-G145 PolarHBondContact OE1-N 2.78Å
144P44.7Very low39.1Very low126 Ų126134.6 Ų134.682%0.81878%0.782SS**  -141122.6120.114.57.5000114.5
145G37.1Very low39.8Very low38 Ų38136.7 Ų136.739%0.39278%0.782SS.*  109.286.7101.100000115.9E143E143-G145 WeakPolarHBondContact OE1-CA 3.26Å; E143-G145 PolarHBondContact OE1-N 2.78Å
146Y38.4Very low40.1Very low235 Ų235138.2 Ų138.292%0.92279%0.787SS**  trans-155113.8142-87.7-70.7000111.8
147S39.3Very low40.3Very low116 Ų116136 Ų13681%0.81178%0.783SS**  trans-79.2130.2175.4-52.50000111.5
148H39.2Very low41Very low195 Ų195139.2 Ų139.290%0.90378%0.78SS**  trans-119111.5151.2-94.8-69.4000109.5
149A42.2Very low41.6Very low73 Ų73141.5 Ų141.560%0.60378%0.783SS**  trans-79.9139.1173.300000110.5
150F41.6Very low42.6Very low207 Ų207143.3 Ų143.391%0.90878%0.782SS**  -178.8157.1118.9-83.4-56.9000109.9
151P51.8Low43.2Very low103 Ų103143 Ų14367%0.66978%0.778SS**  trans-101.6161.1-133.937.7-34.6000115.4
152A41.7Very low44Very low104 Ų104144.6 Ų144.686%0.8678%0.778SS**  trans-51.8140.5175.200000114.3
153R37Very low44.4Very low227 Ų227139.2 Ų139.286%0.85776%0.762SS**  trans-125.4112161.2-54.7-169.4-170-99.60.7108.5
154H43.6Very low45Very low191 Ų191139.8 Ų139.888%0.88476%0.762SS**  trans48.4123.1157.3-76.5115.8000121.7
155L53.2Low45.2Very low167 Ų167144.9 Ų144.987%0.87477%0.765SS**  trans-62134.5169.2-64.4159.2000112.3
156V42.8Very low46.3Very low135 Ų135149.9 Ų149.982%0.81878%0.778SS**  trans-132.7121.2147.9172.40000106.4E158V156-E158 PolarHBondContact O-N 3.36Å
157P48.4Very low47.4Very low119 Ų119142.8 Ų142.877%0.77376%0.761SS**PPolyproline II helixtrans-71.4116.5169.5-10.926.8000108.8
158E44.3Very low48.1Very low166 Ų166144.6 Ų144.678%0.77676%0.761SS**PPolyproline II helixtrans-70.3136171.1-167.1-156.1148.200109.8V156 Q160V156-E158 PolarHBondContact O-N 3.36Å; E158-Q160 PolarHBondContact O-N 2.64Å
159P44.9Very low48.8Very low114 Ų114141.7 Ų141.774%0.7475%0.751SS**PPolyproline II helixtrans-64.5121175.2-18.230.6000112.1
160Q52.1Low49.5Very low175 Ų175141 Ų14182%0.81874%0.742SS**PPolyproline II helixtrans-47.6129.1169-75.3-77.8-1500112.1E158 D162E158-Q160 PolarHBondContact O-N 2.64Å; Q160-D162 PolarHBondContact O-N 3.37Å; Q160-D162 VanDerWaalsContact O-N 3.09Å
161P45.6Very low50.1Low109 Ų109137 Ų13771%0.70873%0.729SS**  trans-72.7103.4162.627.6-28.3000108.7G163P161-G163 PolarHBondContact O-N 3.02Å
162D54.6Low50.2Low130 Ų130138.2 Ų138.270%0.69573%0.73SS**  trans-59.190.5159.8176.232.8000108.8Q160 K164Q160-D162 PolarHBondContact O-N 3.37Å; Q160-D162 VanDerWaalsContact O-N 3.09Å; D162-K164 IonicContact OD1-NZ 3.84Å; D162-K164 PolarHBondContact OD1-NZ 3.28Å; D162-K164 IonicContact OD2-NZ 2.66Å; D162-K164 PolarHBondContact OD2-NZ 3.11Å
163G50.1Low50.8Low48 Ų48140 Ų14050%0.49572%0.72SS.*  trans-144.196.2172.300000106.7P161 R165P161-G163 PolarHBondContact O-N 3.02Å; G163-R165 VanDerWaalsContact C-N 3.28Å; G163-R165 PolarHBondContact O-N 2.72Å
164K51.7Low51.5Low158 Ų158136 Ų13669%0.68771%0.711SS**  trans-50.391.8171.610.2-84.4169.7-171.10109D162 E166D162-K164 IonicContact OD1-NZ 3.84Å; D162-K164 PolarHBondContact OD1-NZ 3.28Å; D162-K164 IonicContact OD2-NZ 2.66Å; D162-K164 PolarHBondContact OD2-NZ 3.11Å; K164-E166 PolarHBondContact O-N 3.45Å
165R50.1Low51.6Low233 Ų233134.2 Ų134.288%0.87971%0.708SS**  trans-88.785.3166.9-69.8-172.6-176.6-179.52.1106.3G163 P167G163-R165 VanDerWaalsContact C-N 3.28Å; G163-R165 PolarHBondContact O-N 2.72Å; R165-P167 VanDerWaalsContact O-CD 3.25Å; R165-P167 WeakPolarHBondContact O-CD 3.25Å
166E58.9Low51.5Low142 Ų142136 Ų13666%0.66470%0.703SS**  trans-56.8117.7163.8-74.7-84.215300108K164 L168K164-E166 PolarHBondContact O-N 3.45Å; E166-L168 PolarHBondContact O-N 3.43Å
167P61.4Low51.8Low87 Ų87134.6 Ų134.657%0.56570%0.698SS**  trans-62134.9174.7-21.133.7000109.8R165 L169 S170R165-P167 VanDerWaalsContact O-CD 3.25Å; R165-P167 WeakPolarHBondContact O-CD 3.25Å; P167-L169 PolarHBondContact O-N 3.33Å; P167-S170 PolarHBondContact O-N 2.74Å; P167-S170 VanDerWaalsContact O-N 3.11Å; P167-S170 PolarHBondContact O-OG 3.2Å
168L55.1Low51.7Low154 Ų154137.2 Ų137.281%0.80671%0.705SS**THydrogen-bonded Turntrans-57.22.4-179.3-66.4170.8000115.4E166 S170E166-L168 PolarHBondContact O-N 3.43Å; L168-S170 VanDerWaalsContact C-N 3.33Å
169L54.3Low51.8Low133 Ų133134 Ų13470%0.69671%0.706SS**Hα-helixtrans-73.4-22.2171.3-60.7178.9000112.7P167P167-L169 PolarHBondContact O-N 3.33Å
170S57.4Low51.3Low59 Ų59137.7 Ų137.741%0.41371%0.706SS.*Hα-helixtrans-69.8-33.1177.452.60000112.8P167 L168P167-S170 PolarHBondContact O-N 2.74Å; P167-S170 VanDerWaalsContact O-N 3.11Å; P167-S170 PolarHBondContact O-OG 3.2Å; L168-S170 VanDerWaalsContact C-N 3.33Å
171L53Low50.8Low122 Ų122135.3 Ų135.364%0.63971%0.706SS**Hα-helixtrans-72.9-34.3179.8-155.775.2000112.5Q173L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 3.35Å
172L53.2Low50.6Low129 Ų129137.4 Ų137.468%0.67571%0.706SS**Hα-helixtrans-72-22.9-179.9-154.684000112.6
173Q55.5Low49.8Very low142 Ų142139.9 Ų139.966%0.66471%0.713SS**Hα-helixtrans-85.2-20.7-177.7-153.5142.6-63.800112.8L171 D175L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 3.35Å; Q173-D175 VanDerWaalsContact C-N 3.34Å
174Q50.7Low49.5Very low143 Ų143142.8 Ų142.867%0.66872%0.724SS**Hα-helixtrans-72.5-25.7177-86.5175.8-26.600113.4R176Q174-R176 VanDerWaalsContact C-N 3.26Å; Q174-R176 PolarHBondContact O-N 2.86Å
175D47.4Very low48.7Very low154 Ų154141.8 Ų141.882%0.82473%0.73SS**THydrogen-bonded Turntrans-80.1-5.5-175.1-147.128.8000113.8Q173Q173-D175 VanDerWaalsContact C-N 3.34Å
176R49.4Very low48.4Very low204 Ų204135 Ų13577%0.7772%0.724SS**THydrogen-bonded Turntrans-101.81-178.3-111.2-168-70.8156.2-2.6115.7Q174Q174-R176 VanDerWaalsContact C-N 3.26Å; Q174-R176 PolarHBondContact O-N 2.86Å
177C49.3Very low47.6Very low105 Ų105139.8 Ų139.871%0.70974%0.736SS**SBendtrans-114.411.7-171.7-690000115.8
178L47.3Very low46.9Very low175 Ų175143.9 Ų143.992%0.91675%0.747SS**  trans-116.161174-66.6179.3000111.9
179A45.4Very low46Very low97 Ų97144.2 Ų144.280%0.80275%0.75SS**  trans-146.777.2164.300000110.8
180R34.4Very low45.2Very low192 Ų192141.1 Ų141.173%0.72575%0.75SS**  trans-152.9105.4154.6-169.1173.8179.5165.4-2.1111.1
181P42Very low44.4Very low126 Ų126146.1 Ų146.182%0.81877%0.772SS**  trans-82.8119.7156.76.711.6000107.9
182Q40.6Very low44.3Very low152 Ų152145.9 Ų145.971%0.7178%0.778SS**  trans-133.8123.8155.7-90.4-165.1-12.300111
183E38.5Very low43.5Very low182 Ų182143.3 Ų143.385%0.8578%0.783SS**  trans-60.7166.2-179.8-116.5-150122.900114.8
184P43.4Very low42.9Very low110 Ų110145.9 Ų145.971%0.71480%0.795SS**  trans-86.4136.2-174.734.2-29.1000112.7
185V36.5Very low42.3Very low137 Ų137143.2 Ų143.283%0.8380%0.798SS**  trans-113113.4166.4165.50000109.3
186A43.1Very low41.7Very low89 Ų89140.9 Ų140.974%0.73680%0.8SS**  trans-57.1136.5168.500000111.5
187R42.3Very low41Very low243 Ų243135.1 Ų135.192%0.91780%0.803SS**  trans-144.2114.2145.3-75.1-146.9178.2-134.10.9111.5
188E46.3Very low40.5Very low174 Ų174135.4 Ų135.481%0.81381%0.806SS**  trans-49.6148.3161.2-179.1-176.5161.200113.7
189N36.8Very low40.3Very low161 Ų161133.7 Ų133.786%0.86180%0.803SS**  trans17699.9148.3-84.3-21.6000108.1
190G35.8Very low40Very low68 Ų68132.5 Ų132.570%0.70180%0.801SS**  73.3115.69800000112.2
191N42.6Very low40.6Very low164 Ų164130.9 Ų130.988%0.87781%0.806SS**  cis-175.9-177.746.5-113.9-23.6000111.4
192P49.3Very low40.6Very low116 Ų116132.8 Ų132.875%0.75381%0.808SS**  -112.1163-128.342.2-33.7000116.2
193G37.9Very low40.4Very low76 Ų76133.2 Ų133.278%0.78481%0.808SS**  trans-154105.7161.400000109.9
194Q42Very low40.3Very low195 Ų195131.9 Ų131.991%0.91181%0.807SS**  trans-65.1155169-50-174.918.700108.2
195A39Very low40.3Very low88 Ų88134.6 Ų134.673%0.72781%0.812SS**  cis-168.5173.232.100000110.3
196A33.4Very low40.6Very low105 Ų105133.4 Ų133.487%0.86881%0.807SS**  trans85.2125147.600000118.8
197G36Very low40.8Very low82 Ų82135.2 Ų135.285%0.84581%0.811SS**  trans124.889.1149.700000115
198S37.9Very low40.7Very low111 Ų111127.2 Ų127.278%0.77680%0.804SS**  trans-56.4156.1166.3175.50000113.5
199T42.7Very low40.7Very low139 Ų139124.5 Ų124.585%0.85380%0.804SS**  trans97.1118.5150.1-22.40000117.4
200G39.8Very low40.9Very low73 Ų73123 Ų12375%0.75380%0.801SS**  trans160.482.4162.700000115.1
201L47.5Very low41.1Very low158 Ų158127.8 Ų127.883%0.82781%0.805SS**  trans-59.4134.8161.9-88.8157.4000110.5
202L41.7Very low40.9Very low166 Ų166130.6 Ų130.687%0.86980%0.804SS**  trans-145.5127.3155-108.7161.5000111.2
203F36.8Very low40.9Very low161 Ų161134 Ų13471%0.70681%0.807SS**  trans-70157.8-172.5-66.5-98.5000113
204N34.9Very low41.5Very low153 Ų153140.2 Ų140.282%0.81881%0.813SS**  167.4110.7105.9-81.6-42.9000112
205M43.9Very low41.9Very low168 Ų168138.8 Ų138.883%0.82881%0.811SS**PPolyproline II helixtrans-101.1141.7155.2-97.7-130.571.100108.3
206P43Very low42Very low112 Ų112144.8 Ų144.873%0.72782%0.816SS**PPolyproline II helixtrans-92.4128.4167.832.4-26.4000111.2
207P47.5Very low42.6Very low127 Ų127146.2 Ų146.283%0.82581%0.814SS**PPolyproline II helixtrans-96.4145.416312.66.4000111.4
208G39.5Very low42.9Very low74 Ų74147.3 Ų147.376%0.76381%0.808SS**  trans-89.9-168.3-174.600000117.1
209S46.8Very low43.1Very low117 Ų117153.9 Ų153.982%0.81882%0.816SS**  trans65.5142.5172.8-148.30000114.1
210V40Very low42.7Very low130 Ų130150.6 Ų150.679%0.78881%0.81SS**  -164.7145.958.1-170.90000110.4
211H41.7Very low42.8Very low169 Ų169153.4 Ų153.478%0.78282%0.818SS**  trans-33.5139.9156.9-101.9-84.1000116.2
212Y37.3Very low42Very low222 Ų222150.2 Ų150.287%0.87181%0.814SS**  trans-149126.1141-143.6-98000112.2
213K48.9Very low41.9Very low188 Ų188147.5 Ų147.582%0.81781%0.809SS**  trans-72.1134.2168-78.7177.1169.6-178.60108.7
214K52Low42Very low206 Ų206146.7 Ų146.790%0.89682%0.818SS**  trans-128.1135.7164.6-160.9167.8-179.4177.70111.6
215L48.9Very low41.9Very low165 Ų165144.2 Ų144.286%0.86481%0.812SS**  trans-71.6153.3-165.9-67.8147.7000113.5
216Y42Very low41.8Very low214 Ų214143.1 Ų143.184%0.83981%0.809SS**  trans-60.5139.1170.8-131.1-100.5000111.7
217V46.3Very low41.9Very low136 Ų136142.6 Ų142.682%0.82481%0.806SS**  trans-131115.3160.1169.10000108.3
218S42.3Very low41.5Very low105 Ų105142.5 Ų142.573%0.73480%0.798SS**  trans-78.4132.2171.3-54.60000110.4
219R41.3Very low41.3Very low248 Ų248147.6 Ų147.694%0.93680%0.802SS**  trans-146117.9157.9-160175-179.8165.30.1108.9
220G35.4Very low40.9Very low70 Ų70147.2 Ų147.272%0.72280%0.795SS**  trans-93-177.5-174.700000115.5
221S40.4Very low40.8Very low132 Ų132149.7 Ų149.792%0.92380%0.803SS**  trans77.9133.3173.7-79.20000116.5
222A32.2Very low40.7Very low91 Ų91146 Ų14675%0.75280%0.797SS**  cis-159.1152.210.100000112.3
223S39Very low40.6Very low109 Ų109143.6 Ų143.676%0.76279%0.793SS**  trans21.9119.2143.7-155.40000120.6
224T38Very low39.9Very low144 Ų144143 Ų14388%0.88380%0.798SS**  trans-135.8126.5132.5530000109.3
225S34.6Very low39Very low101 Ų101140.5 Ų140.571%0.70679%0.789SS**  trans-67.2143.1-178.646.80000114.7
226L40.6Very low38.7Very low146 Ų146137.9 Ų137.976%0.76478%0.78SS**  trans12.9158.9139.7-83.7125000120.9N228L226-N228 WeakPolarHBondContact CD2-OD1 3.34Å
227P44.8Very low38.9Very low100 Ų100133.5 Ų133.565%0.64978%0.778SS**  cis-134.7161.317.529.8-6.8000117.4
228N40.1Very low38.2Very low125 Ų125130 Ų13067%0.66877%0.769SS**  trans-80.1106.3163.947.9-31000110.2L226 T230L226-N228 WeakPolarHBondContact CD2-OD1 3.34Å; N228-T230 PolarHBondContact O-N 2.69Å
229E35.6Very low38.4Very low182 Ų182135.1 Ų135.185%0.8578%0.778SS**  trans-71.1117.3170.7-69.8-84.9115.800109.6
230T37.5Very low38.4Very low109 Ų109133 Ų13367%0.66977%0.772SS**  trans-84.1112.4174.2-63.30000107.3N228 S232N228-T230 PolarHBondContact O-N 2.69Å; T230-S232 VanDerWaalsContact C-N 3.27Å; T230-S232 PolarHBondContact O-N 3.09Å
231L37.8Very low38.6Very low182 Ų182135 Ų13595%0.95378%0.775SS**  trans-80.282170.8-108.6171.5000109.3
232S40Very low38.7Very low92 Ų92136.5 Ų136.564%0.64377%0.771SS**  trans-121.2123.4157.4-58.30000105.5T230T230-S232 VanDerWaalsContact C-N 3.27Å; T230-S232 PolarHBondContact O-N 3.09Å
233E34.2Very low39.5Very low171 Ų171137.6 Ų137.680%0.79977%0.769SS**  trans147.4107.2144-154.1150.9125.500110.7
234L34Very low40.2Very low176 Ų176137.3 Ų137.392%0.92177%0.765SS**  trans-143.682.8158.2-138.2144.5000107
235E34.7Very low40.8Very low153 Ų153136.2 Ų136.272%0.71576%0.76SS**  trans-74.5116160.9-94.9-158.9127.400108.2
236T41.5Very low41.3Very low110 Ų110138.8 Ų138.868%0.67577%0.766SS**  133.3170.887.543.60000107.1
237P45.9Very low41.5Very low122 Ų122139.9 Ų139.979%0.79277%0.767SS**  cis-124.9149.7-17.833-15.8000112.2
238G32.6Very low41.5Very low61 Ų61146.3 Ų146.363%0.62978%0.778SS**  trans-147.278.417500000111.7Y240G238-Y240 PolarHBondContact O-N 2.81Å
239K47.2Very low41.4Very low214 Ų214143.3 Ų143.393%0.9378%0.776SS**  trans-75.1109.4168.8-72.2-173.8175.8-178.60109
240Y40Very low42.1Very low203 Ų203142 Ų14280%0.79677%0.77SS**  trans-134.896.5151.140.5-92.8000108.3G238 L242G238-Y240 PolarHBondContact O-N 2.81Å; Y240-L242 PolarHBondContact O-N 2.75Å
241S40.1Very low42.9Very low112 Ų112142.9 Ų142.978%0.78378%0.777SS**  trans-69.5117.6160-84.90000108.1
242L41.8Very low43.2Very low164 Ų164142.5 Ų142.586%0.85977%0.771SS**  trans-108.285159-80166.2000108Y240Y240-L242 PolarHBondContact O-N 2.75Å
243T48.9Very low43.6Very low113 Ų113148.6 Ų148.669%0.69378%0.779SS**  trans-90.2127.5162.4-36.40000107.4
244P54.5Low44.3Very low104 Ų104152 Ų15268%0.67579%0.787SS**  trans-78.6130.2169.129-29.2000109.8N246P244-N246 PolarHBondContact O-N 3.34Å
245P49.8Very low45.2Very low120 Ų120150.8 Ų150.878%0.77978%0.78SS**  trans-80.2113.717029-28.2000109.8H247P245-H247 PolarHBondContact O-N 3.3Å
246N45.8Very low45.9Very low156 Ų156151.7 Ų151.783%0.83479%0.785SS**  trans-62.6114.4158-64.7-45.3000107.9P244P244-N246 PolarHBondContact O-N 3.34Å
247H45.2Very low46.1Very low169 Ų169154.6 Ų154.678%0.78279%0.79SS**  trans-114.8115.6161.783.7-75.5000108.8P245P245-H247 PolarHBondContact O-N 3.3Å
248W44Very low46.2Very low234 Ų234160.6 Ų160.689%0.88681%0.814SS**  trans-63.9138.3160.3-92.735.8000109.4
249G38.6Very low46.9Very low62 Ų62165.6 Ų165.664%0.63982%0.823SS**  trans-173.791.117200000110.1
250H49.4Very low46.9Very low156 Ų156163 Ų16372%0.72282%0.818SS**  trans-53.2155169.1-66.9-79.7000111.3
251P54.6Low47.3Very low126 Ų126160.8 Ų160.882%0.81882%0.819SS**  -126.5139122.224.9-11.5000112.5
252H45.3Very low47.7Very low175 Ų175163.6 Ų163.681%0.8182%0.821SS**  trans-51.8140.8172.2-96.1-112.5000113
253R47.3Very low48.1Very low219 Ų219163.6 Ų163.683%0.82682%0.819SS**  trans-13.4135.2148.9-60.5-170176-164.50.2115.5
254Y49.3Very low48Very low242 Ų242167 Ų16795%0.94983%0.827SS**  -146.2118.9117-91.4-78.5000109.9
255L53.6Low47.6Very low151 Ų151171.5 Ų171.579%0.79184%0.838SS**  trans-93.2133.3156.7-105.3160.3000105.5
256Q49.7Very low47.4Very low172 Ų172175.5 Ų175.580%0.80484%0.843SS**  165.4129.8126-89.6166.953.900112.4
257H45.3Very low47.5Very low171 Ų171177.1 Ų177.179%0.79284%0.843SS**  trans27.7115.9136.6-74.1-89.5000119
258L47.9Very low47.7Very low248 Ų248177.8 Ų177.8100%1.29885%0.849SS**  -164.5089.7-12197.8000109.7

Retrieved 258 of 258 residues in 33.2 ms (Link to these results)