A0A087WR08_MOUSE Loading...

TATA-box binding protein associated factor 9

AlphaFold DB , UniProt , Accession A0A087WR08, Species MOUSE (Mus musculus, Mouse), Gene Taf9, Length 155 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low48.9Very low240 Ų240136.4 Ų136.4100%1.18277%0.765SS**  099.50-78.7168.3169.500106.2S3M1-S3 PolarHBondContact O-N 2.7Å
2E35Very low51.1Low199 Ų199129.6 Ų129.693%0.9372%0.724SS**  trans-77106.9-176.4-168.7162.9106.300108G4E2-G4 PolarHBondContact O-N 3.27Å
3S43.4Very low54.1Low113 Ų113126.3 Ų126.379%0.7971%0.711SS**  trans-64.2100.8172.7-62.10000108.1M1 K5M1-S3 PolarHBondContact O-N 2.7Å; S3-K5 PolarHBondContact O-N 2.95Å
4G44.7Very low56.6Low67 Ų67128.9 Ų128.969%0.69171%0.711SS**  trans-52.1110.6173.300000109.4E2 M6E2-G4 PolarHBondContact O-N 3.27Å; G4-M6 PolarHBondContact O-N 3.17Å
5K42.5Very low58.9Low205 Ų205125.7 Ų125.789%0.89169%0.693SS**  trans-61.699.4179.4-164.7172.5-174.6178.30107.9S3 A7S3-K5 PolarHBondContact O-N 2.95Å; K5-A7 PolarHBondContact O-N 3.09Å
6M51.9Low60.9Low147 Ų147118 Ų11872%0.72465%0.651SS**PPolyproline II helixtrans-59.2124.5171.2-79-155.4-81.800108.1G4 S8 P33G4-M6 PolarHBondContact O-N 3.17Å; M6-S8 PolarHBondContact O-N 3.32Å; M6-P33 HydrophobicContact CG-CG 4.28Å; M6-P33 HydrophobicContact SD-CG 4.42Å
7A51.4Low62.7Low69 Ų69116.4 Ų116.457%0.5764%0.637SS**PPolyproline II helixtrans-54.9137.8174.900000109.1K5K5-A7 PolarHBondContact O-N 3.09Å
8S50.8Low64.3Low72 Ų72116.4 Ų116.450%0.50363%0.634SS.*PPolyproline II helixtrans-60.8145.4-17854.70000110.3M6 K10 S11M6-S8 PolarHBondContact O-N 3.32Å; S8-K10 PolarHBondContact O-N 3.04Å; S8-S11 PolarHBondContact O-N 3.23Å; S8-S11 PolarHBondContact O-OG 2.9Å
9P54.9Low65.7Low107 Ų107111.9 Ų111.970%0.69561%0.608SS**THydrogen-bonded Turntrans-58.4-15.1-174.319.2-31.4000114.5Q17P9-Q17 PolarHBondContact O-NE2 2.94Å
10K55.8Low67Low200 Ų200107.3 Ų107.387%0.8759%0.586SS**THydrogen-bonded Turntrans-85.6-12.3177.3-69.1-177.2178.4177.70114.9S8S8-K10 PolarHBondContact O-N 3.04Å
11S68.6Low68.1Low81 Ų81106.6 Ų106.657%0.56658%0.579SS**SBendtrans-102.22.2179760000113.8S8S8-S11 PolarHBondContact O-N 3.23Å; S8-S11 PolarHBondContact O-OG 2.9Å
12M75.8Confident70.7Confident55 Ų5599.1 Ų99.127%0.27154%0.543SS..SBendtrans-92.3136.1-173.8-154.8161.3130.500110.2A16 Q17 A20 I36M12-A16 VanDerWaalsContact CE-C 3.44Å; M12-A16 HydrophobicContact CE-CB 3.51Å; M12-A16 VanDerWaalsContact CE-O 3.22Å; M12-A16 WeakPolarHBondContact CE-O 3.34Å; M12-A16 HydrophobicContact CG-CB 3.76Å; M12-A16 HydrophobicContact SD-CB 4.48Å; M12-Q17 HydrophobicContact CB-CG 4.28Å; M12-Q17 PolarHBondContact O-NE2 3.05Å; M12-A20 HydrophobicContact CE-CB 4.27Å; M12-I36 HydrophobicContact CE-CD1 3.65Å; M12-I36 HydrophobicContact CE-CG2 4.17Å
13P89.1Confident73.5Confident87 Ų8790.3 Ų90.357%0.56550%0.502SS*.  trans-62.5154.3-178.923.1-30.6000111.6D15 A16 Q17P13-D15 VanDerWaalsContact C-N 3.3Å; P13-D15 PolarHBondContact O-N 3.09Å; P13-A16 HydrophobicContact CG-CB 3.79Å; P13-A16 WeakPolarHBondContact O-CB 3.46Å; P13-A16 PolarHBondContact O-N 2.93Å; P13-Q17 PolarHBondContact O-N 3.22Å
14K89.8Confident75.8Confident162 Ų16291.8 Ų91.870%0.70449%0.494SS*.Hα-helixtrans-56.9-40.4-172.1-168.2172.8179.4-177.50113.1A16 Q17 M18K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.48Å; K14-Q17 WeakPolarHBondContact O-CB 3.49Å; K14-Q17 PolarHBondContact O-N 3.16Å; K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.4Å; K14-M18 PolarHBondContact O-N 3.18Å
15D90.4Very high78.3Confident82 Ų8294.3 Ų94.344%0.43949%0.492SS..Hα-helixtrans-68.8-34.6179.4-57-29.6000112P13 M18 M19 L40P13-D15 VanDerWaalsContact C-N 3.3Å; P13-D15 PolarHBondContact O-N 3.09Å; D15-M18 WeakPolarHBondContact O-CB 3.26Å; D15-M18 PolarHBondContact O-N 2.92Å; D15-M19 WeakPolarHBondContact O-CG 3.48Å; D15-M19 PolarHBondContact O-N 3.48Å; D15-L40 HydrophobicContact CB-CD2 3.67Å
16A91.1Very high80.7Confident2 Ų291.3 Ų91.32%0.01748%0.483CS..Hα-helixtrans-69.5-36.5174.800000111.1M12 P13 K14 M18 M19 A20 I36 L40M12-A16 VanDerWaalsContact CE-C 3.44Å; M12-A16 HydrophobicContact CE-CB 3.51Å; M12-A16 VanDerWaalsContact CE-O 3.22Å; M12-A16 WeakPolarHBondContact CE-O 3.34Å; M12-A16 HydrophobicContact CG-CB 3.76Å; M12-A16 HydrophobicContact SD-CB 4.48Å; P13-A16 HydrophobicContact CG-CB 3.79Å; P13-A16 WeakPolarHBondContact O-CB 3.46Å; P13-A16 PolarHBondContact O-N 2.93Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.48Å; A16-M18 VanDerWaalsContact C-N 3.33Å; A16-M19 PolarHBondContact O-N 3.48Å; A16-A20 WeakPolarHBondContact O-CB 3.41Å; A16-A20 PolarHBondContact O-N 3.38Å; A16-I36 HydrophobicContact CB-CG2 3.84Å; A16-L40 HydrophobicContact CB-CD1 3.9Å
17Q91.4Very high82.7Confident90 Ų9087 Ų8742%0.42148%0.476SS..Hα-helixtrans-62.6-39.7171.2-66.6177.3-13.200111.6P9 M12 P13 K14 A20 Q21P9-Q17 PolarHBondContact O-NE2 2.94Å; M12-Q17 HydrophobicContact CB-CG 4.28Å; M12-Q17 PolarHBondContact O-NE2 3.05Å; P13-Q17 PolarHBondContact O-N 3.22Å; K14-Q17 WeakPolarHBondContact O-CB 3.49Å; K14-Q17 PolarHBondContact O-N 3.16Å; Q17-A20 PolarHBondContact O-N 3.34Å; Q17-Q21 PolarHBondContact O-N 2.98Å
18M91.8Very high84.6Confident118 Ų11887.2 Ų87.258%0.58147%0.467SS*.Hα-helixtrans-63-45.2174.8-66.4-101.4-73.200111.6K14 D15 A16 A20 Q21 I22K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.4Å; K14-M18 PolarHBondContact O-N 3.18Å; D15-M18 WeakPolarHBondContact O-CB 3.26Å; D15-M18 PolarHBondContact O-N 2.92Å; A16-M18 VanDerWaalsContact C-N 3.33Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 2.93Å; M18-Q21 WeakPolarHBondContact O-CB 3.34Å; M18-Q21 PolarHBondContact O-N 3.47Å; M18-Q21 VanDerWaalsContact O-N 3.14Å; M18-I22 WeakPolarHBondContact O-CG1 3.41Å; M18-I22 PolarHBondContact O-N 3.25Å
19M91.8Very high86.4Confident30 Ų3089.9 Ų89.915%0.14848%0.48CS..Hα-helixtrans-62-40.1176.2-68.6-61.5-177.600112.3D15 A16 Q21 I22 L23 I36 M39 L40 A43D15-M19 WeakPolarHBondContact O-CG 3.48Å; D15-M19 PolarHBondContact O-N 3.48Å; A16-M19 PolarHBondContact O-N 3.48Å; M19-Q21 VanDerWaalsContact C-N 3.31Å; M19-Q21 PolarHBondContact O-N 3.39Å; M19-I22 PolarHBondContact O-N 3.1Å; M19-I22 HydrophobicContact SD-CD1 4.09Å; M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.93Å; M19-L23 VanDerWaalsContact O-N 3.08Å; M19-I36 HydrophobicContact CB-CG2 3.99Å; M19-M39 HydrophobicContact SD-CB 4.34Å; M19-M39 HydrophobicContact SD-CE 3.96Å; M19-L40 HydrophobicContact CE-CD2 3.77Å; M19-L40 HydrophobicContact CE-CG 4.43Å; M19-L40 HydrophobicContact CG-CD2 3.67Å; M19-L40 HydrophobicContact CG-CG 3.92Å; M19-A43 HydrophobicContact CE-CB 3.85Å
20A90.3Very high88.1Confident20 Ų2093.1 Ų93.117%0.16549%0.486CS..Hα-helixtrans-63.9-36.5174.300000112.3M12 A16 Q17 M18 L23 K24 I36M12-A20 HydrophobicContact CE-CB 4.27Å; A16-A20 WeakPolarHBondContact O-CB 3.41Å; A16-A20 PolarHBondContact O-N 3.38Å; Q17-A20 PolarHBondContact O-N 3.34Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 2.93Å; A20-L23 PolarHBondContact O-N 3.08Å; A20-K24 PolarHBondContact O-N 2.75Å; A20-I36 HydrophobicContact CB-CD1 4.21Å
21Q91.4Very high89.8Confident92 Ų9287.5 Ų87.543%0.4346%0.46SS..Hα-helixtrans-67-40.8174.9-171.261.539.700111.7Q17 M18 M19 L23 K24 D25Q17-Q21 PolarHBondContact O-N 2.98Å; M18-Q21 WeakPolarHBondContact O-CB 3.34Å; M18-Q21 PolarHBondContact O-N 3.47Å; M18-Q21 VanDerWaalsContact O-N 3.14Å; M19-Q21 VanDerWaalsContact C-N 3.31Å; M19-Q21 PolarHBondContact O-N 3.39Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.16Å; Q21-K24 WeakPolarHBondContact O-CB 3.4Å; Q21-K24 PolarHBondContact O-N 3.02Å; Q21-K24 VanDerWaalsContact O-N 3.14Å; Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.02Å
22I93.8Very high91Very high84 Ų8489.3 Ų89.343%0.43146%0.46SS..Hα-helixtrans-59.2-45.4174.6-67.3166000110.9M18 M19 K24 D25 M26M18-I22 WeakPolarHBondContact O-CG1 3.41Å; M18-I22 PolarHBondContact O-N 3.25Å; M19-I22 PolarHBondContact O-N 3.1Å; M19-I22 HydrophobicContact SD-CD1 4.09Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.29Å; I22-D25 PolarHBondContact O-N 2.92Å; I22-M26 WeakPolarHBondContact O-CG 3.5Å; I22-M26 PolarHBondContact O-N 3.24Å
23L92.6Very high91.5Very high14 Ų1490.1 Ų90.17%0.07347%0.469CS..Hα-helixtrans-61.4-38.4176.9-69.7172.3000111.8M19 A20 Q21 M26 G27 I28 Y31 I36 M39M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.93Å; M19-L23 VanDerWaalsContact O-N 3.08Å; A20-L23 PolarHBondContact O-N 3.08Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.16Å; L23-M26 PolarHBondContact O-N 3.05Å; L23-G27 PolarHBondContact O-N 3.37Å; L23-I28 HydrophobicContact CD2-CD1 4.04Å; L23-I28 PolarHBondContact O-N 3.18Å; L23-Y31 HydrophobicContact CB-CD1 4.33Å; L23-Y31 HydrophobicContact CB-CE1 4.05Å; L23-Y31 HydrophobicContact CD1-CD1 3.78Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.8Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.93Å; L23-I36 HydrophobicContact CD1-CG1 4.14Å; L23-M39 HydrophobicContact CD2-SD 4.15Å; L23-M39 HydrophobicContact CG-SD 4.48Å
24K93.1Very high91.6Very high144 Ų14493.3 Ų93.363%0.62647%0.47SS*.Hα-helixtrans-66.3-41.6176.2-172.3177176.6-178.40112.4A20 Q21 I22 M26 G27A20-K24 PolarHBondContact O-N 2.75Å; Q21-K24 WeakPolarHBondContact O-CB 3.4Å; Q21-K24 PolarHBondContact O-N 3.02Å; Q21-K24 VanDerWaalsContact O-N 3.14Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.29Å; K24-M26 VanDerWaalsContact C-N 3.25Å; K24-M26 PolarHBondContact O-N 3.2Å; K24-G27 PolarHBondContact O-N 2.98Å
25D95.7Very high91.8Very high119 Ų11987.9 Ų87.964%0.63645%0.45SS*.Hα-helixtrans-66.9-29.6177.7-65-12.3000111.6Q21 I22 G27Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.02Å; I22-D25 PolarHBondContact O-N 2.92Å; D25-G27 PolarHBondContact O-N 3.41Å
26M93.4Very high91.9Very high143 Ų14384.4 Ų84.470%0.70443%0.431SS*.THydrogen-bonded Turntrans-77.4-1171.6-67.5-66.8-68.200113.8I22 L23 K24 I28I22-M26 WeakPolarHBondContact O-CG 3.5Å; I22-M26 PolarHBondContact O-N 3.24Å; L23-M26 PolarHBondContact O-N 3.05Å; K24-M26 VanDerWaalsContact C-N 3.25Å; K24-M26 PolarHBondContact O-N 3.2Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.26Å; M26-I28 HydrophobicContact CB-CG1 4.28Å; M26-I28 PolarHBondContact O-N 3.01Å
27G93.1Very high92Very high57 Ų5788.6 Ų88.659%0.58845%0.453SS*.THydrogen-bonded Turntrans76.613.4-179.200000114.8L23 K24 D25 T29L23-G27 PolarHBondContact O-N 3.37Å; K24-G27 PolarHBondContact O-N 2.98Å; D25-G27 PolarHBondContact O-N 3.41Å; G27-T29 PolarHBondContact O-N 3.42Å
28I93.1Very high92.1Very high73 Ų7389.4 Ų89.437%0.37446%0.457SS..  trans-89.3107.8-179.9-55.4172.1000108.9L23 M26 Y31L23-I28 HydrophobicContact CD2-CD1 4.04Å; L23-I28 PolarHBondContact O-N 3.18Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.26Å; M26-I28 HydrophobicContact CB-CG1 4.28Å; M26-I28 PolarHBondContact O-N 3.01Å; I28-Y31 HydrophobicContact CG2-CD1 4.26Å
29T87.3Confident92.2Very high128 Ų12886.6 Ų86.679%0.78544%0.443SS*.  trans-96.1-22.4-177.654.30000113.8G27G27-T29 PolarHBondContact O-N 3.42Å
30E91.3Very high92.3Very high174 Ų17486.2 Ų86.281%0.81344%0.442SS*.  trans-120.2118.5-178.1-64.9-172.5171.300110.3
31Y91.5Very high92.5Very high83 Ų8391.2 Ų91.233%0.32546%0.462SS..  trans-152.4154.2175.652.5-97.6000110.3L23 I28 I36L23-Y31 HydrophobicContact CB-CD1 4.33Å; L23-Y31 HydrophobicContact CB-CE1 4.05Å; L23-Y31 HydrophobicContact CD1-CD1 3.78Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.8Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.93Å; I28-Y31 HydrophobicContact CG2-CD1 4.26Å; Y31-I36 HydrophobicContact CD2-CD1 4.22Å; Y31-I36 HydrophobicContact CD2-CG1 4.48Å; Y31-I36 HydrophobicContact CE2-CD1 3.42Å; Y31-I36 VanDerWaalsContact CE2-CD1 3.42Å; Y31-I36 HydrophobicContact CE2-CG1 4.08Å
32E92.6Very high92.7Very high119 Ų11993.2 Ų93.256%0.55647%0.469SS*.  trans-73.4138.9172-170.4-174.9153.100109.8R34 V35E32-R34 HydrophobicContact CG-CB 4.11Å; E32-R34 PolarHBondContact O-N 3.3Å; E32-R34 WeakPolarHBondContact OE1-CB 3.39Å; E32-R34 IonicContact OE1-NE 3.79Å; E32-V35 HydrophobicContact CB-CG2 4.3Å; E32-V35 VanDerWaalsContact O-CB 3.32Å; E32-V35 WeakPolarHBondContact O-CB 3.3Å; E32-V35 WeakPolarHBondContact O-CG2 3.3Å; E32-V35 PolarHBondContact O-N 3.41Å
33P86.9Confident92.7Very high71 Ų7190.7 Ų90.746%0.46146%0.461SS..Hα-helixtrans-53.6-28.2177-27.934.8000114.2M6 V35 I36M6-P33 HydrophobicContact CG-CG 4.28Å; M6-P33 HydrophobicContact SD-CG 4.42Å; P33-V35 PolarHBondContact O-N 2.96Å; P33-I36 PolarHBondContact O-N 3.11Å
34R92Very high92.8Very high155 Ų15595.6 Ų95.659%0.58548%0.482SS*.Hα-helixtrans-62.7-28.3176.9-173.6177.3-73.6-104.10.1113.1E32 I36 N37 Q38E32-R34 HydrophobicContact CG-CB 4.11Å; E32-R34 PolarHBondContact O-N 3.3Å; E32-R34 WeakPolarHBondContact OE1-CB 3.39Å; E32-R34 IonicContact OE1-NE 3.79Å; R34-I36 VanDerWaalsContact C-N 3.3Å; R34-I36 PolarHBondContact O-N 2.95Å; R34-N37 PolarHBondContact O-N 3.17Å; R34-Q38 HydrophobicContact CG-CG 4.29Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.42Å
35V93.2Very high93Very high48 Ų4897.7 Ų97.729%0.29149%0.486SS..Hα-helixtrans-59.8-42179.2175.50000110.8E32 P33 N37 Q38 M39E32-V35 HydrophobicContact CB-CG2 4.3Å; E32-V35 VanDerWaalsContact O-CB 3.32Å; E32-V35 WeakPolarHBondContact O-CB 3.3Å; E32-V35 WeakPolarHBondContact O-CG2 3.3Å; E32-V35 PolarHBondContact O-N 3.41Å; P33-V35 PolarHBondContact O-N 2.96Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.89Å; V35-Q38 PolarHBondContact O-N 3.47Å; V35-M39 HydrophobicContact CG1-CG 4.31Å; V35-M39 HydrophobicContact CG1-SD 4.04Å; V35-M39 WeakPolarHBondContact O-CB 3.32Å; V35-M39 WeakPolarHBondContact O-CG 3.39Å; V35-M39 PolarHBondContact O-N 2.89Å
36I92.8Very high92.9Very high8 Ų895.1 Ų95.14%0.04147%0.468CS..Hα-helixtrans-62.6-43.7179.3-68.5164.1000110.8M12 A16 M19 A20 L23 Y31 P33 R34 M39 L40M12-I36 HydrophobicContact CE-CD1 3.65Å; M12-I36 HydrophobicContact CE-CG2 4.17Å; A16-I36 HydrophobicContact CB-CG2 3.84Å; M19-I36 HydrophobicContact CB-CG2 3.99Å; A20-I36 HydrophobicContact CB-CD1 4.21Å; L23-I36 HydrophobicContact CD1-CG1 4.14Å; Y31-I36 HydrophobicContact CD2-CD1 4.22Å; Y31-I36 HydrophobicContact CD2-CG1 4.48Å; Y31-I36 HydrophobicContact CE2-CD1 3.42Å; Y31-I36 VanDerWaalsContact CE2-CD1 3.42Å; Y31-I36 HydrophobicContact CE2-CG1 4.08Å; P33-I36 PolarHBondContact O-N 3.11Å; R34-I36 VanDerWaalsContact C-N 3.3Å; R34-I36 PolarHBondContact O-N 2.95Å; I36-M39 PolarHBondContact O-N 2.74Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 3.5Å
37N92.4Very high93Very high91 Ų9192 Ų9249%0.48746%0.457SS..Hα-helixtrans-64.4-42.8178.5-65.2-24.9000111.4R34 V35 L40 E41R34-N37 PolarHBondContact O-N 3.17Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.89Å; N37-L40 PolarHBondContact O-N 3.24Å; N37-E41 WeakPolarHBondContact O-CG 3.42Å; N37-E41 PolarHBondContact O-N 2.85Å
38Q94.4Very high93.2Very high107 Ų10792.9 Ų92.950%0.545%0.45SS..Hα-helixtrans-64.9-40.3176.9-71.9176.5-23.600112.4R34 V35 L40 E41 F42R34-Q38 HydrophobicContact CG-CG 4.29Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.42Å; V35-Q38 PolarHBondContact O-N 3.47Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; Q38-E41 PolarHBondContact O-N 3.04Å; Q38-F42 WeakPolarHBondContact O-CB 3.35Å; Q38-F42 PolarHBondContact O-N 3.45Å
39M93.3Very high93.3Very high59 Ų5991.9 Ų91.929%0.29145%0.448SS..Hα-helixtrans-63.5-40.9174.5-76.9-17865.300111.9M19 L23 V35 I36 F42 A43M19-M39 HydrophobicContact SD-CB 4.34Å; M19-M39 HydrophobicContact SD-CE 3.96Å; L23-M39 HydrophobicContact CD2-SD 4.15Å; L23-M39 HydrophobicContact CG-SD 4.48Å; V35-M39 HydrophobicContact CG1-CG 4.31Å; V35-M39 HydrophobicContact CG1-SD 4.04Å; V35-M39 WeakPolarHBondContact O-CB 3.32Å; V35-M39 WeakPolarHBondContact O-CG 3.39Å; V35-M39 PolarHBondContact O-N 2.89Å; I36-M39 PolarHBondContact O-N 2.74Å; M39-F42 PolarHBondContact O-N 2.91Å; M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 2.9Å
40L94.2Very high93.7Very high22 Ų2286.2 Ų86.212%0.11541%0.413CS..Hα-helixtrans-63.1-50.1174.7-74.6169.9000111.4D15 A16 M19 I36 N37 Q38 F42 A43 F44D15-L40 HydrophobicContact CB-CD2 3.67Å; A16-L40 HydrophobicContact CB-CD1 3.9Å; M19-L40 HydrophobicContact CE-CD2 3.77Å; M19-L40 HydrophobicContact CE-CG 4.43Å; M19-L40 HydrophobicContact CG-CD2 3.67Å; M19-L40 HydrophobicContact CG-CG 3.92Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 3.5Å; N37-L40 PolarHBondContact O-N 3.24Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.38Å; L40-A43 PolarHBondContact O-N 3.26Å; L40-F44 HydrophobicContact CB-CD2 4.44Å; L40-F44 HydrophobicContact CB-CE2 4.44Å; L40-F44 HydrophobicContact CD2-CE2 4.23Å; L40-F44 WeakPolarHBondContact O-CD2 3.46Å; L40-F44 PolarHBondContact O-N 2.95Å
41E95.3Very high93.9Very high125 Ų12582.2 Ų82.258%0.58440%0.397SS*.Hα-helixtrans-56.6-44.1176.9-75.8178.2-16700111.6N37 Q38 R45N37-E41 WeakPolarHBondContact O-CG 3.42Å; N37-E41 PolarHBondContact O-N 2.85Å; Q38-E41 PolarHBondContact O-N 3.04Å; E41-R45 WeakPolarHBondContact O-CB 3.38Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.38Å; E41-R45 PolarHBondContact O-N 2.72Å
42F94.4Very high94.1Very high133 Ų13382.6 Ų82.658%0.58340%0.404SS*.Hα-helixtrans-60.7-49.3175.7175.4-98.8000111.6Q38 M39 L40 F44 R45 Y46Q38-F42 WeakPolarHBondContact O-CB 3.35Å; Q38-F42 PolarHBondContact O-N 3.45Å; M39-F42 PolarHBondContact O-N 2.91Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.38Å; F42-F44 PolarHBondContact O-N 3.27Å; F42-R45 PolarHBondContact O-N 3.34Å; F42-Y46 VanDerWaalsContact O-CB 3.26Å; F42-Y46 WeakPolarHBondContact O-CB 3.41Å; F42-Y46 PolarHBondContact O-N 3.46Å
43A94.3Very high94.3Very high32 Ų3278.3 Ų78.326%0.26439%0.385SS..Hα-helixtrans-60-46.5-179.800000111.6M19 M39 L40 Y46 V47M19-A43 HydrophobicContact CE-CB 3.85Å; M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 2.9Å; L40-A43 PolarHBondContact O-N 3.26Å; A43-Y46 PolarHBondContact O-N 3.16Å; A43-V47 WeakPolarHBondContact O-CB 3.39Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 3.42Å
44F95.5Very high94.8Very high116 Ų11675 Ų7551%0.50936%0.363SS..Hα-helixtrans-65.1-42.4178.6-78-64000112.4L40 F42 T48L40-F44 HydrophobicContact CB-CD2 4.44Å; L40-F44 HydrophobicContact CB-CE2 4.44Å; L40-F44 HydrophobicContact CD2-CE2 4.23Å; L40-F44 WeakPolarHBondContact O-CD2 3.46Å; L40-F44 PolarHBondContact O-N 2.95Å; F42-F44 PolarHBondContact O-N 3.27Å; F44-T48 WeakPolarHBondContact O-CB 3.28Å; F44-T48 PolarHBondContact O-N 2.91Å; F44-T48 PolarHBondContact O-OG1 3.39Å
45R95.7Very high95Very high188 Ų18874.1 Ų74.171%0.70936%0.364SS*.Hα-helixtrans-63.9-45.8176.1-72.6179.276.9163.85110.9E41 F42 T48 T49E41-R45 WeakPolarHBondContact O-CB 3.38Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.38Å; E41-R45 PolarHBondContact O-N 2.72Å; F42-R45 PolarHBondContact O-N 3.34Å; R45-T48 PolarHBondContact O-N 2.81Å; R45-T49 WeakPolarHBondContact O-CG2 3.43Å; R45-T49 PolarHBondContact O-N 3.19Å; R45-T49 PolarHBondContact O-OG1 3.34Å
46Y94.8Very high95.1Very high66 Ų6675.8 Ų75.826%0.25937%0.37SS..Hα-helixtrans-59.2-53.6178.1-177.7-103.9000111.2F42 A43 T48 T49 I50 F83F42-Y46 VanDerWaalsContact O-CB 3.26Å; F42-Y46 WeakPolarHBondContact O-CB 3.41Å; F42-Y46 PolarHBondContact O-N 3.46Å; A43-Y46 PolarHBondContact O-N 3.16Å; Y46-T48 VanDerWaalsContact C-N 3.33Å; Y46-T48 PolarHBondContact O-N 3.36Å; Y46-T49 PolarHBondContact O-N 2.95Å; Y46-T49 VanDerWaalsContact O-N 3.16Å; Y46-T49 PolarHBondContact O-OG1 3.17Å; Y46-I50 HydrophobicContact CD1-CG1 4.24Å; Y46-I50 HydrophobicContact CE1-CD1 4.44Å; Y46-I50 HydrophobicContact CE1-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CD1 4.21Å; Y46-I50 HydrophobicContact CE2-CG1 4.31Å; Y46-I50 WeakPolarHBondContact O-CG1 3.4Å; Y46-I50 PolarHBondContact O-N 2.89Å; Y46-F83 HydrophobicContact CE2-CE2 4.47Å
47V95.8Very high95.3Very high77 Ų7778.1 Ų78.147%0.46738%0.379SS..Hα-helixtrans-60-43179.7172.30000111.6A43 T49 I50 L51A43-V47 WeakPolarHBondContact O-CB 3.39Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 3.42Å; V47-T49 PolarHBondContact O-N 3.17Å; V47-I50 PolarHBondContact O-N 3.48Å; V47-L51 HydrophobicContact CG1-CD1 3.89Å; V47-L51 HydrophobicContact CG1-CG 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.32Å; V47-L51 PolarHBondContact O-N 3.24Å
48T96.5Very high95.4Very high75 Ų7574 Ų7446%0.4636%0.357SS..Hα-helixtrans-59.6-47.1176.6-560000111.1F44 R45 Y46 I50 L51 D52F44-T48 WeakPolarHBondContact O-CB 3.28Å; F44-T48 PolarHBondContact O-N 2.91Å; F44-T48 PolarHBondContact O-OG1 3.39Å; R45-T48 PolarHBondContact O-N 2.81Å; Y46-T48 VanDerWaalsContact C-N 3.33Å; Y46-T48 PolarHBondContact O-N 3.36Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 3.46Å; T48-L51 PolarHBondContact O-N 3.49Å; T48-D52 PolarHBondContact O-N 3.21Å
49T94.9Very high95.5Very high53 Ų5372.6 Ų72.633%0.32536%0.359SS..Hα-helixtrans-63.6-36.9178.455.60000113.1R45 Y46 V47 D52 D53R45-T49 WeakPolarHBondContact O-CG2 3.43Å; R45-T49 PolarHBondContact O-N 3.19Å; R45-T49 PolarHBondContact O-OG1 3.34Å; Y46-T49 PolarHBondContact O-N 2.95Å; Y46-T49 VanDerWaalsContact O-N 3.16Å; Y46-T49 PolarHBondContact O-OG1 3.17Å; V47-T49 PolarHBondContact O-N 3.17Å; T49-D52 PolarHBondContact O-N 3.09Å; T49-D53 PolarHBondContact O-N 3.46Å
50I96.1Very high95.6Very high8 Ų876.9 Ų76.94%0.04138%0.378CS..Hα-helixtrans-64.2-42.7174.4-66-54.5000111Y46 V47 T48 D53 A54 V71 A74 I75 R78Y46-I50 HydrophobicContact CD1-CG1 4.24Å; Y46-I50 HydrophobicContact CE1-CD1 4.44Å; Y46-I50 HydrophobicContact CE1-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CD1 4.21Å; Y46-I50 HydrophobicContact CE2-CG1 4.31Å; Y46-I50 WeakPolarHBondContact O-CG1 3.4Å; Y46-I50 PolarHBondContact O-N 2.89Å; V47-I50 PolarHBondContact O-N 3.48Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 3.46Å; I50-D53 PolarHBondContact O-N 2.92Å; I50-A54 WeakPolarHBondContact O-CB 3.26Å; I50-A54 PolarHBondContact O-N 3.19Å; I50-V71 HydrophobicContact CG2-CG1 4.19Å; I50-A74 HydrophobicContact CG2-CB 4.05Å; I50-I75 HydrophobicContact CD1-CG1 4.39Å; I50-I75 HydrophobicContact CG2-CG1 4.01Å; I50-R78 HydrophobicContact CD1-CB 3.91Å; I50-R78 HydrophobicContact CD1-CG 3.63Å
51L96.1Very high95.6Very high91 Ų9178.3 Ų78.348%0.47639%0.393SS..Hα-helixtrans-69.6-34.6179.6-69.1175000112.3V47 T48 A54 K55V47-L51 HydrophobicContact CG1-CD1 3.89Å; V47-L51 HydrophobicContact CG1-CG 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.32Å; V47-L51 PolarHBondContact O-N 3.24Å; T48-L51 PolarHBondContact O-N 3.49Å; L51-A54 PolarHBondContact O-N 3.27Å; L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 PolarHBondContact O-N 2.96Å
52D96Very high95.6Very high90 Ų9081.8 Ų81.848%0.48141%0.407SS..Hα-helixtrans-63.3-47.1172.6-72.8-28000111T48 T49 K55 I56T48-D52 PolarHBondContact O-N 3.21Å; T49-D52 PolarHBondContact O-N 3.09Å; D52-K55 PolarHBondContact O-N 3.1Å; D52-I56 WeakPolarHBondContact O-CG1 3.43Å; D52-I56 PolarHBondContact O-N 3.37Å; D52-I56 VanDerWaalsContact O-N 3.08Å
53D95.8Very high95.6Very high30 Ų3079.5 Ų79.516%0.1640%0.396CS..Hα-helixtrans-62.2-43.6176-71.3-18.6000110.9T49 I50 K55 I56 Y57 A74 R78T49-D53 PolarHBondContact O-N 3.46Å; I50-D53 PolarHBondContact O-N 2.92Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.29Å; D53-I56 WeakPolarHBondContact O-CB 3.35Å; D53-I56 PolarHBondContact O-N 3.36Å; D53-Y57 HydrophobicContact CB-CE2 4.44Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 VanDerWaalsContact O-CG 3.29Å; D53-Y57 PolarHBondContact O-N 3.4Å; D53-A74 HydrophobicContact CB-CB 3.93Å; D53-R78 IonicContact OD1-NH2 3.17Å; D53-R78 IonicContact OD2-CZ 2.74Å; D53-R78 IonicContact OD2-NE 3.49Å; D53-R78 PolarHBondContact OD2-NE 3.46Å; D53-R78 IonicContact OD2-NH2 3.74Å; D53-R78 PolarHBondContact OD2-NH2 3.35Å; D53-R78 VanDerWaalsContact OD2-NH2 3.17Å
54A96.8Very high95.5Very high0 Ų083.2 Ų83.20%043%0.427CS..Hα-helixtrans-63.4-37.3176.900000112.8I50 L51 I56 Y57 S58 V66 D70 V71 A74I50-A54 WeakPolarHBondContact O-CB 3.26Å; I50-A54 PolarHBondContact O-N 3.19Å; L51-A54 PolarHBondContact O-N 3.27Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-Y57 PolarHBondContact O-N 2.97Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-V66 HydrophobicContact CB-CG1 3.89Å; A54-D70 HydrophobicContact CB-CB 4.21Å; A54-V71 HydrophobicContact CB-CG2 4.07Å; A54-A74 HydrophobicContact CB-CB 4.32Å
55K96.4Very high95.4Very high137 Ų13782.2 Ų82.260%0.59643%0.431SS*.Hα-helixtrans-65.4-37.6175-173.1178.1-179-1790111.8L51 D52 D53 S59L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 PolarHBondContact O-N 2.96Å; D52-K55 PolarHBondContact O-N 3.1Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.29Å; K55-S59 WeakPolarHBondContact O-CB 3.35Å; K55-S59 PolarHBondContact O-N 2.72Å; K55-S59 PolarHBondContact O-OG 3.46Å
56I96.1Very high95.4Very high83 Ų8376.6 Ų76.643%0.42642%0.417SS..Hα-helixtrans-61.6-46.9172.9-68.6165000109.4D52 D53 A54 S59 H60D52-I56 WeakPolarHBondContact O-CG1 3.43Å; D52-I56 PolarHBondContact O-N 3.37Å; D52-I56 VanDerWaalsContact O-N 3.08Å; D53-I56 WeakPolarHBondContact O-CB 3.35Å; D53-I56 PolarHBondContact O-N 3.36Å; A54-I56 VanDerWaalsContact C-N 3.33Å; I56-S59 WeakPolarHBondContact O-CB 3.32Å; I56-S59 PolarHBondContact O-N 2.9Å; I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.31Å; I56-H60 PolarHBondContact O-CD2 2.83Å; I56-H60 PolarHBondContact O-N 2.89Å
57Y95.7Very high95.5Very high57 Ų5776.3 Ų76.322%0.22442%0.42CS..Hα-helixtrans-63.8-44.3179.4-58-26.4000113.8D53 A54 S59 H60 A61 L73 A74D53-Y57 HydrophobicContact CB-CE2 4.44Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 VanDerWaalsContact O-CG 3.29Å; D53-Y57 PolarHBondContact O-N 3.4Å; A54-Y57 PolarHBondContact O-N 2.97Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 3.33Å; Y57-H60 WeakPolarHBondContact O-CB 3.13Å; Y57-H60 PolarHBondContact O-N 3.45Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; Y57-A61 PolarHBondContact O-N 3.39Å; Y57-L73 HydrophobicContact CD2-CB 4.14Å; Y57-L73 HydrophobicContact CD2-CD2 3.86Å; Y57-L73 HydrophobicContact CD2-CG 3.99Å; Y57-L73 HydrophobicContact CE2-CB 4.21Å; Y57-L73 HydrophobicContact CE2-CD2 4.07Å; Y57-L73 HydrophobicContact CE2-CG 3.81Å; Y57-L73 HydrophobicContact CG-CD2 4.14Å; Y57-A74 HydrophobicContact CD2-CB 4.23Å; Y57-A74 HydrophobicContact CE2-CB 3.79Å
58S96.4Very high95.5Very high4 Ų475.7 Ų75.73%0.02842%0.423CS..Hα-helixtrans-57-42.3172.5174.70000111.6A54 A61 K62 K63 T65A54-S58 PolarHBondContact O-N 2.95Å; S58-A61 CarbonylContact O-C 3.58Å; S58-A61 PolarHBondContact O-N 2.97Å; S58-K62 PolarHBondContact O-N 3.44Å; S58-K62 VanDerWaalsContact O-N 3.17Å; S58-K63 PolarHBondContact O-N 3.14Å; S58-K63 PolarHBondContact OG-O 2.97Å; S58-T65 PolarHBondContact OG-O 3.44Å; S58-T65 VanDerWaalsContact OG-O 3.09Å
59S95.9Very high95.4Very high78 Ų7876.8 Ų76.855%0.54543%0.426SS..Hα-helixtrans-64.5-40.7178-57.10000111.7K55 I56 Y57 A61 K62K55-S59 WeakPolarHBondContact O-CB 3.35Å; K55-S59 PolarHBondContact O-N 2.72Å; K55-S59 PolarHBondContact O-OG 3.46Å; I56-S59 WeakPolarHBondContact O-CB 3.32Å; I56-S59 PolarHBondContact O-N 2.9Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 3.33Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 2.89Å; S59-K62 PolarHBondContact O-N 3.3Å; S59-K62 VanDerWaalsContact O-N 3.09Å
60H95.6Very high95.4Very high150 Ų15074.8 Ų74.869%0.69441%0.414SS*.Hα-helixtrans-63.9-36.1173.7-80.1-72.4000112.7I56 Y57 K62I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.31Å; I56-H60 PolarHBondContact O-CD2 2.83Å; I56-H60 PolarHBondContact O-N 2.89Å; Y57-H60 WeakPolarHBondContact O-CB 3.13Å; Y57-H60 PolarHBondContact O-N 3.45Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; H60-K62 PolarHBondContact O-N 2.95Å
61A94.4Very high95.5Very high52 Ų5276.5 Ų76.543%0.4342%0.424SS..THydrogen-bonded Turntrans-76.70.6174.500000113.6Y57 S58 S59 K63Y57-A61 PolarHBondContact O-N 3.39Å; S58-A61 CarbonylContact O-C 3.58Å; S58-A61 PolarHBondContact O-N 2.97Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 2.89Å; A61-K63 HydrophobicContact CB-CD 4.06Å; A61-K63 HydrophobicContact CB-CG 3.99Å; A61-K63 PolarHBondContact O-N 3.14Å
62K95.2Very high95.5Very high198 Ų19879.6 Ų79.686%0.86143%0.429SS*.THydrogen-bonded Turntrans56.229.9-174.8-57.1177.7-179.6177.20113.2S58 S59 H60S58-K62 PolarHBondContact O-N 3.44Å; S58-K62 VanDerWaalsContact O-N 3.17Å; S59-K62 PolarHBondContact O-N 3.3Å; S59-K62 VanDerWaalsContact O-N 3.09Å; H60-K62 PolarHBondContact O-N 2.95Å
63K94.1Very high95.4Very high85 Ų8578.9 Ų78.937%0.3743%0.425SS..  trans-95.2140.5175.3-61.8177.7-178.3179.50109.8S58 A61 D67S58-K63 PolarHBondContact O-N 3.14Å; S58-K63 PolarHBondContact OG-O 2.97Å; A61-K63 HydrophobicContact CB-CD 4.06Å; A61-K63 HydrophobicContact CB-CG 3.99Å; A61-K63 PolarHBondContact O-N 3.14Å; K63-D67 WeakPolarHBondContact CD-OD2 3.33Å; K63-D67 WeakPolarHBondContact CE-OD2 3.4Å; K63-D67 IonicContact NZ-OD2 2.7Å; K63-D67 PolarHBondContact NZ-OD2 3.46Å
64A91.1Very high95.4Very high110 Ų11077.5 Ų77.591%0.90942%0.418SS*.SBendtrans-83.4-17.2176.700000113
65T94.8Very high95.3Very high95 Ų9581.1 Ų81.158%0.58344%0.436SS*.SBendtrans-120140.4-177.953.70000110S58S58-T65 PolarHBondContact OG-O 3.44Å; S58-T65 VanDerWaalsContact OG-O 3.09Å
66V95.7Very high95.2Very high70 Ų7080.4 Ų80.442%0.42444%0.435SS..  trans-78.2123.4175.1-179.80000109.1A54 D70 V71A54-V66 HydrophobicContact CB-CG1 3.89Å; V66-D70 HydrophobicContact CG1-CB 4.08Å; V66-V71 HydrophobicContact CG1-CG2 4.02Å
67D95.6Very high95Very high59 Ų5978.9 Ų78.932%0.31643%0.431SS..  trans-94.7165.4178.8-66.2-29.5000111.8K63 D69 D70 V71K63-D67 WeakPolarHBondContact CD-OD2 3.33Å; K63-D67 WeakPolarHBondContact CE-OD2 3.4Å; K63-D67 IonicContact NZ-OD2 2.7Å; K63-D67 PolarHBondContact NZ-OD2 3.46Å; D67-D69 PolarHBondContact O-N 3.34Å; D67-D70 PolarHBondContact N-OD2 3.39Å; D67-D70 PolarHBondContact O-N 3.28Å; D67-D70 VanDerWaalsContact O-N 3.16Å; D67-V71 PolarHBondContact O-N 2.99Å
68A95.6Very high94.7Very high65 Ų6579.5 Ų79.554%0.53743%0.433SS..Hα-helixtrans-59.8-30.4175.500000112.8V71 R72A68-V71 PolarHBondContact O-N 3.38Å; A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.28Å; A68-R72 PolarHBondContact O-N 3.2Å
69D95.6Very high94.3Very high97 Ų9780.9 Ų80.952%0.51945%0.445SS..Hα-helixtrans-72.5-31.9178.9-64.8-34.7000112.3D67 V71 R72 L73D67-D69 PolarHBondContact O-N 3.34Å; D69-V71 VanDerWaalsContact C-N 3.35Å; D69-R72 PolarHBondContact O-N 3.37Å; D69-R72 IonicContact OD1-NH1 3.04Å; D69-R72 PolarHBondContact OD1-NH1 2.84Å; D69-L73 WeakPolarHBondContact O-CB 3.44Å; D69-L73 PolarHBondContact O-N 3.34Å
70D95.6Very high93.9Very high12 Ų1284 Ų846%0.06446%0.456CS..Hα-helixtrans-65.2-42174.4-58.8-43000110.5A54 V66 D67 L73 A74A54-D70 HydrophobicContact CB-CB 4.21Å; V66-D70 HydrophobicContact CG1-CB 4.08Å; D67-D70 PolarHBondContact N-OD2 3.39Å; D67-D70 PolarHBondContact O-N 3.28Å; D67-D70 VanDerWaalsContact O-N 3.16Å; D70-L73 PolarHBondContact O-N 2.9Å; D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.01Å
71V96.3Very high93.3Very high43 Ų4383.9 Ų83.926%0.26146%0.456SS..Hα-helixtrans-67.5-41.7176.3179.70000111.3I50 A54 V66 D67 A68 D69 L73 A74 I75I50-V71 HydrophobicContact CG2-CG1 4.19Å; A54-V71 HydrophobicContact CB-CG2 4.07Å; V66-V71 HydrophobicContact CG1-CG2 4.02Å; D67-V71 PolarHBondContact O-N 2.99Å; A68-V71 PolarHBondContact O-N 3.38Å; D69-V71 VanDerWaalsContact C-N 3.35Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.44Å; V71-A74 PolarHBondContact O-N 3.4Å; V71-I75 HydrophobicContact CG1-CD1 3.91Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 2.88Å
72R96Very high92.6Very high156 Ų15685.2 Ų85.259%0.58946%0.461SS*.Hα-helixtrans-60.5-44.6176.2-76.9168.1177.3172-4111.6A68 D69 I75 Q76A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.28Å; A68-R72 PolarHBondContact O-N 3.2Å; D69-R72 PolarHBondContact O-N 3.37Å; D69-R72 IonicContact OD1-NH1 3.04Å; D69-R72 PolarHBondContact OD1-NH1 2.84Å; R72-I75 PolarHBondContact O-N 2.96Å; R72-Q76 WeakPolarHBondContact O-CG 3.39Å; R72-Q76 PolarHBondContact O-N 3.01Å
73L95.6Very high91.7Very high76 Ų7681.7 Ų81.740%0.39845%0.446SS..Hα-helixtrans-62.2-44.2176.9-178.260.9000111.1Y57 D69 D70 V71 I75 Q76 C77Y57-L73 HydrophobicContact CD2-CB 4.14Å; Y57-L73 HydrophobicContact CD2-CD2 3.86Å; Y57-L73 HydrophobicContact CD2-CG 3.99Å; Y57-L73 HydrophobicContact CE2-CB 4.21Å; Y57-L73 HydrophobicContact CE2-CD2 4.07Å; Y57-L73 HydrophobicContact CE2-CG 3.81Å; Y57-L73 HydrophobicContact CG-CD2 4.14Å; D69-L73 WeakPolarHBondContact O-CB 3.44Å; D69-L73 PolarHBondContact O-N 3.34Å; D70-L73 PolarHBondContact O-N 2.9Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.44Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.37Å; L73-Q76 PolarHBondContact O-N 3.47Å; L73-C77 PolarHBondContact O-N 2.9Å; L73-C77 PolarHBondContact O-SG 2.94Å; L73-C77 VanDerWaalsContact O-SG 3.41Å
74A95.6Very high91.1Very high0 Ų084 Ų840%047%0.468CS..Hα-helixtrans-60-42.8177.100000112.7I50 D53 A54 Y57 D70 V71 R78I50-A74 HydrophobicContact CG2-CB 4.05Å; D53-A74 HydrophobicContact CB-CB 3.93Å; A54-A74 HydrophobicContact CB-CB 4.32Å; Y57-A74 HydrophobicContact CD2-CB 4.23Å; Y57-A74 HydrophobicContact CE2-CB 3.79Å; D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.01Å; V71-A74 PolarHBondContact O-N 3.4Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 VanDerWaalsContact O-CG 3.3Å; A74-R78 WeakPolarHBondContact O-CG 3.15Å; A74-R78 PolarHBondContact O-N 3.48Å; A74-R78 VanDerWaalsContact O-N 3.11Å
75I94.6Very high90.4Very high76 Ų7683.2 Ų83.239%0.3946%0.455SS..Hα-helixtrans-63.6-44175.9-67165.9000110.9I50 V71 R72 L73 R78 A79I50-I75 HydrophobicContact CD1-CG1 4.39Å; I50-I75 HydrophobicContact CG2-CG1 4.01Å; V71-I75 HydrophobicContact CG1-CD1 3.91Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 2.88Å; R72-I75 PolarHBondContact O-N 2.96Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.37Å; I75-R78 PolarHBondContact O-N 3.24Å; I75-A79 WeakPolarHBondContact O-CB 3.41Å; I75-A79 PolarHBondContact O-N 2.9Å
76Q93.3Very high89.6Confident123 Ų12384 Ų8458%0.57546%0.463SS*.Hα-helixtrans-62.6-50.4179.5-75.1177.2-10.100112R72 L73 R78 A79 D80R72-Q76 WeakPolarHBondContact O-CG 3.39Å; R72-Q76 PolarHBondContact O-N 3.01Å; L73-Q76 PolarHBondContact O-N 3.47Å; Q76-R78 PolarHBondContact O-N 3.03Å; Q76-A79 WeakPolarHBondContact O-CB 3.27Å; Q76-A79 PolarHBondContact O-N 3.24Å; Q76-A79 VanDerWaalsContact O-N 3.12Å; Q76-D80 PolarHBondContact O-N 3.17Å
77C91.9Very high89.1Confident51 Ų5183.6 Ų83.635%0.34546%0.461SS..Hα-helixtrans-60-35.7179-66.70000112.3L73 Q81L73-C77 PolarHBondContact O-N 2.9Å; L73-C77 PolarHBondContact O-SG 2.94Å; L73-C77 VanDerWaalsContact O-SG 3.41Å; C77-Q81 PolarHBondContact O-N 3.37Å
78R90.4Very high88.8Confident69 Ų6985 Ų8526%0.2647%0.474SS..Hα-helixtrans-73.7-37176.5-76.6-88.3170-165.3-6.7112.8I50 D53 A74 I75 Q76 D80 Q81 S82I50-R78 HydrophobicContact CD1-CB 3.91Å; I50-R78 HydrophobicContact CD1-CG 3.63Å; D53-R78 IonicContact OD1-NH2 3.17Å; D53-R78 IonicContact OD2-CZ 2.74Å; D53-R78 IonicContact OD2-NE 3.49Å; D53-R78 PolarHBondContact OD2-NE 3.46Å; D53-R78 IonicContact OD2-NH2 3.74Å; D53-R78 PolarHBondContact OD2-NH2 3.35Å; D53-R78 VanDerWaalsContact OD2-NH2 3.17Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 VanDerWaalsContact O-CG 3.3Å; A74-R78 WeakPolarHBondContact O-CG 3.15Å; A74-R78 PolarHBondContact O-N 3.48Å; A74-R78 VanDerWaalsContact O-N 3.11Å; I75-R78 PolarHBondContact O-N 3.24Å; Q76-R78 PolarHBondContact O-N 3.03Å; R78-D80 VanDerWaalsContact C-N 3.33Å; R78-Q81 PolarHBondContact O-N 3.05Å; R78-S82 WeakPolarHBondContact O-CB 3.44Å; R78-S82 PolarHBondContact O-N 3.3Å
79A88.1Confident88.7Confident34 Ų3490.4 Ų90.428%0.28148%0.48SS..Hα-helixtrans-56.7-49.4173.100000110.4I75 Q76 Q81 S82 F83I75-A79 WeakPolarHBondContact O-CB 3.41Å; I75-A79 PolarHBondContact O-N 2.9Å; Q76-A79 WeakPolarHBondContact O-CB 3.27Å; Q76-A79 PolarHBondContact O-N 3.24Å; Q76-A79 VanDerWaalsContact O-N 3.12Å; A79-Q81 PolarHBondContact O-N 3.37Å; A79-S82 PolarHBondContact O-N 3.01Å; A79-F83 CarbonylContact O-C 3.52Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.23Å; A79-F83 PolarHBondContact O-N 3.5Å; A79-F83 VanDerWaalsContact O-O 3.07Å
80D85.9Confident88.6Confident143 Ų14390.9 Ų90.977%0.76548%0.483SS*.Hα-helixtrans-64.1-28-179.5-65-22.8000113.4Q76 R78Q76-D80 PolarHBondContact O-N 3.17Å; R78-D80 VanDerWaalsContact C-N 3.33Å
81Q83.8Confident88.5Confident148 Ų14896 Ų9669%0.69251%0.505SS*.Hα-helixtrans-86.3-42.4179.8-111.9176.113.200114.1C77 R78 A79C77-Q81 PolarHBondContact O-N 3.37Å; R78-Q81 PolarHBondContact O-N 3.05Å; A79-Q81 PolarHBondContact O-N 3.37Å
82S79.3Confident88.4Confident79 Ų7998.2 Ų98.255%0.55252%0.515SS*.Hα-helixtrans-107-24.2-167.4-58.30000113.3R78 A79R78-S82 WeakPolarHBondContact O-CB 3.44Å; R78-S82 PolarHBondContact O-N 3.3Å; A79-S82 PolarHBondContact O-N 3.01Å
83F77.7Confident88.3Confident124 Ų12494 Ų9454%0.54450%0.504SS..  trans-109.7106-177.5-65.3-91.8000109.3Y46 A79 S85Y46-F83 HydrophobicContact CE2-CE2 4.47Å; A79-F83 CarbonylContact O-C 3.52Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.23Å; A79-F83 PolarHBondContact O-N 3.5Å; A79-F83 VanDerWaalsContact O-O 3.07Å; F83-S85 PolarHBondContact O-N 3.42Å
84T81.3Confident88.3Confident135 Ų13594.5 Ų94.583%0.82851%0.506SS*.PPolyproline II helixtrans-75120.3167.4-174.20000108.4
85S75.4Confident88.3Confident92 Ų9297.9 Ų97.964%0.64352%0.524SS*.PPolyproline II helixtrans-75.1143156.750.90000107.9F83F83-S85 PolarHBondContact O-N 3.42Å
86P79.1Confident88.3Confident113 Ų11396 Ų9673%0.73452%0.519SS*.PPolyproline II helixtrans-59135.5170.524.8-31.7000108.1
87P83.6Confident88.4Confident60 Ų6097.3 Ų97.339%0.3952%0.519SS..PPolyproline II helixtrans-57.3145.3-178.621.2-31.4000110.4F91 L92P87-F91 HydrophobicContact CB-CD1 3.94Å; P87-L92 HydrophobicContact CG-CD1 4.24Å; P87-L92 HydrophobicContact CG-CD2 3.98Å; P87-L92 HydrophobicContact CG-CG 4.1Å
88P90.8Very high88.6Confident90 Ų90101.4 Ų101.458%0.58453%0.533SS*.PPolyproline II helixtrans-53.1143.5179.1-26.534.1000111.9D90 F91 L92P88-D90 PolarHBondContact O-N 3.25Å; P88-F91 WeakPolarHBondContact O-CB 3.47Å; P88-F91 PolarHBondContact O-N 2.93Å; P88-F91 VanDerWaalsContact O-N 3.09Å; P88-L92 PolarHBondContact O-N 3.27Å
89R92.4Very high88.8Confident177 Ų177106.8 Ų106.867%0.66855%0.553SS**Hα-helixtrans-55.1-39-179.1-178.1175.4179.6-86.4-1.8112.2F91 L92 L93R89-F91 VanDerWaalsContact C-N 3.34Å; R89-F91 PolarHBondContact O-N 3.07Å; R89-L92 PolarHBondContact O-N 3.39Å; R89-L93 HydrophobicContact CG-CD1 4.33Å; R89-L93 HydrophobicContact CG-CG 4.41Å; R89-L93 VanDerWaalsContact NH1-CD1 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 2.97Å
90D93Very high89.1Confident108 Ų108111.4 Ų111.458%0.57857%0.573SS**Hα-helixtrans-65.8-38.6-178.6-58.4-38000111.8P88 L92 L93 D94P88-D90 PolarHBondContact O-N 3.25Å; D90-L92 PolarHBondContact O-N 3.46Å; D90-L93 WeakPolarHBondContact O-CB 3.22Å; D90-L93 PolarHBondContact O-N 2.87Å; D90-D94 PolarHBondContact O-N 3.08Å
91F93.7Very high89.5Confident119 Ų119111.3 Ų111.352%0.52257%0.568SS.*Hα-helixtrans-61.9-43.3173.5179.9-104.9000111.7P87 P88 R89 L93 D94 I95P87-F91 HydrophobicContact CB-CD1 3.94Å; P88-F91 WeakPolarHBondContact O-CB 3.47Å; P88-F91 PolarHBondContact O-N 2.93Å; P88-F91 VanDerWaalsContact O-N 3.09Å; R89-F91 VanDerWaalsContact C-N 3.34Å; R89-F91 PolarHBondContact O-N 3.07Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.97Å; F91-D94 PolarHBondContact O-N 3.36Å; F91-I95 HydrophobicContact CD1-CD1 3.82Å; F91-I95 HydrophobicContact CE1-CD1 3.36Å; F91-I95 HydrophobicContact CE1-CG1 4.45Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.69Å; F91-I95 HydrophobicContact CZ-CG1 4.47Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.01Å; F91-I95 VanDerWaalsContact O-N 3.1Å
92L93.9Very high89.9Confident90 Ų90109 Ų10947%0.47156%0.564SS.*Hα-helixtrans-64.9-36.3174.7-70.3176000112.3P87 P88 R89 D90 A96P87-L92 HydrophobicContact CG-CD1 4.24Å; P87-L92 HydrophobicContact CG-CD2 3.98Å; P87-L92 HydrophobicContact CG-CG 4.1Å; P88-L92 PolarHBondContact O-N 3.27Å; R89-L92 PolarHBondContact O-N 3.39Å; D90-L92 PolarHBondContact O-N 3.46Å; L92-A96 VanDerWaalsContact O-CB 3.31Å; L92-A96 WeakPolarHBondContact O-CB 3.44Å; L92-A96 PolarHBondContact O-N 3.44Å
93L95.6Very high90.5Very high68 Ų68110.5 Ų110.536%0.35657%0.572SS.*Hα-helixtrans-67.4-37.5176.3-76.4178.1000112.6R89 D90 F91 A96 R97R89-L93 HydrophobicContact CG-CD1 4.33Å; R89-L93 HydrophobicContact CG-CG 4.41Å; R89-L93 VanDerWaalsContact NH1-CD1 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 2.97Å; D90-L93 WeakPolarHBondContact O-CB 3.22Å; D90-L93 PolarHBondContact O-N 2.87Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.97Å; L93-A96 PolarHBondContact O-N 2.9Å; L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 3.44Å
94D94.9Very high91Very high85 Ų85112.3 Ų112.346%0.45559%0.587SS.*Hα-helixtrans-67.6-42.7176.1-74.2-23.6000111.4D90 F91 A96 R97 Q98D90-D94 PolarHBondContact O-N 3.08Å; F91-D94 PolarHBondContact O-N 3.36Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 2.86Å; D94-R97 PolarHBondContact O-N 3.3Å; D94-R97 IonicContact OD1-CZ 2.91Å; D94-R97 IonicContact OD1-NH1 3.9Å; D94-R97 PolarHBondContact OD1-NH1 3.37Å; D94-Q98 PolarHBondContact O-N 3.48Å
95I95Very high91.3Very high71 Ų71111.2 Ų111.236%0.36458%0.582SS.*Hα-helixtrans-58.8-47171-67.1169.7000110.1F91 R97 Q98 R99F91-I95 HydrophobicContact CD1-CD1 3.82Å; F91-I95 HydrophobicContact CE1-CD1 3.36Å; F91-I95 HydrophobicContact CE1-CG1 4.45Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.69Å; F91-I95 HydrophobicContact CZ-CG1 4.47Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.01Å; F91-I95 VanDerWaalsContact O-N 3.1Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.39Å; I95-Q98 PolarHBondContact O-N 2.93Å; I95-R99 HydrophobicContact CG2-CG 4.15Å; I95-R99 WeakPolarHBondContact O-CB 3.42Å; I95-R99 VanDerWaalsContact O-CG 3.27Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.29Å
96A95.4Very high91.7Very high36 Ų36115 Ų11530%0.29859%0.594SS.*Hα-helixtrans-60.6-43.9178.900000111.4L92 L93 D94 Q98 R99 N100L92-A96 VanDerWaalsContact O-CB 3.31Å; L92-A96 WeakPolarHBondContact O-CB 3.44Å; L92-A96 PolarHBondContact O-N 3.44Å; L93-A96 PolarHBondContact O-N 2.9Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 2.86Å; A96-Q98 PolarHBondContact O-N 3.01Å; A96-R99 PolarHBondContact O-N 3.46Å; A96-N100 WeakPolarHBondContact O-CB 3.32Å; A96-N100 PolarHBondContact O-N 3.34Å; A96-N100 PolarHBondContact O-ND2 3.29Å; A96-N100 PolarHBondContact O-OD1 3.22Å
97R95.7Very high91.8Very high152 Ų152117.6 Ų117.657%0.57460%0.6SS**Hα-helixtrans-59.9-46.2176.8-168.1-174.1-65.4120.81.2110.8L93 D94 I95 Q101L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 3.44Å; D94-R97 PolarHBondContact O-N 3.3Å; D94-R97 IonicContact OD1-CZ 2.91Å; D94-R97 IonicContact OD1-NH1 3.9Å; D94-R97 PolarHBondContact OD1-NH1 3.37Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.39Å; R97-Q101 VanDerWaalsContact O-CG 3.28Å; R97-Q101 WeakPolarHBondContact O-CG 3.41Å; R97-Q101 PolarHBondContact O-N 3.21Å
98Q95.8Very high91.3Very high136 Ų136123.2 Ų123.264%0.63662%0.618SS**Hα-helixtrans-63.7-43.2178.3-173.7-178.2-1.900112.3D94 I95 A96D94-Q98 PolarHBondContact O-N 3.48Å; I95-Q98 PolarHBondContact O-N 2.93Å; A96-Q98 PolarHBondContact O-N 3.01Å
99R94Very high90.6Very high183 Ų183125.6 Ų125.669%0.69163%0.634SS**Hα-helixtrans-69.9-39.8179.5-65.4-61.1-66.2170.1-3.5112.2I95 A96 Q101 T102I95-R99 HydrophobicContact CG2-CG 4.15Å; I95-R99 WeakPolarHBondContact O-CB 3.42Å; I95-R99 VanDerWaalsContact O-CG 3.27Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.29Å; A96-R99 PolarHBondContact O-N 3.46Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 2.91Å; R99-T102 PolarHBondContact O-N 3.17Å
100N94.8Very high89.3Confident130 Ų130126.7 Ų126.770%0.69564%0.639SS**Hα-helixtrans-77.7-8.5-177.4-63.7-13.1000113.6A96 T102A96-N100 WeakPolarHBondContact O-CB 3.32Å; A96-N100 PolarHBondContact O-N 3.34Å; A96-N100 PolarHBondContact O-ND2 3.29Å; A96-N100 PolarHBondContact O-OD1 3.22Å; N100-T102 PolarHBondContact O-N 2.78Å
101Q95Very high88Confident141 Ų141127.3 Ų127.366%0.65965%0.652SS**THydrogen-bonded Turntrans-65.6-23.4170.3-80.916618.200112.8R97 R99 P103R97-Q101 VanDerWaalsContact O-CG 3.28Å; R97-Q101 WeakPolarHBondContact O-CG 3.41Å; R97-Q101 PolarHBondContact O-N 3.21Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 2.91Å; Q101-P103 WeakPolarHBondContact O-CD 3.45Å
102T92.4Very high87.2Confident100 Ų100123.9 Ų123.961%0.61365%0.651SS**SBendtrans-81.1114.9178.1-500000108.6R99 N100R99-T102 PolarHBondContact O-N 3.17Å; N100-T102 PolarHBondContact O-N 2.78Å
103P90.6Very high86.4Confident110 Ų110125.7 Ų125.771%0.71467%0.667SS**PPolyproline II helixtrans-63.3151.6179.228-34.7000110.3Q101Q101-P103 WeakPolarHBondContact O-CD 3.45Å
104L88.9Confident85.4Confident163 Ų163133.1 Ų133.185%0.85369%0.691SS**PPolyproline II helixtrans-62.4140.8178.6-63.7174.5000110.5
105P87.3Confident84.8Confident112 Ų112135.1 Ų135.173%0.72770%0.701SS**PPolyproline II helixtrans-58.6143.7172.9-22.633000111.4I107P105-I107 PolarHBondContact O-N 3.43Å
106L83.4Confident84.3Confident171 Ų171135 Ų13590%0.89570%0.704SS**PPolyproline II helixtrans-60.9128177.8-68.890.7000110.7K108L106-K108 PolarHBondContact O-N 2.96Å
107I81.3Confident83.7Confident167 Ų167136.5 Ų136.586%0.85671%0.711SS**  trans-79.7115.4175.7-54.4174.3000107.7P105P105-I107 PolarHBondContact O-N 3.43Å
108K73.8Confident83Confident179 Ų179135.2 Ų135.278%0.77872%0.716SS**  trans-75.5142.7170.5-66.8-171.6-179.3-173.90109.2L106 Y110L106-K108 PolarHBondContact O-N 2.96Å; K108-Y110 PolarHBondContact O-N 2.99Å
109P75Confident82.3Confident140 Ų140139 Ų13991%0.90972%0.724SS**SBendtrans-74.642.2-177.431.7-36.4000113.5
110Y66.3Low81.7Confident200 Ų200138.1 Ų138.178%0.78472%0.722SS**  trans-95.1130.3175.8-170.1-98.1000109.8K108 G112K108-Y110 PolarHBondContact O-N 2.99Å; Y110-G112 PolarHBondContact O-N 3.41Å
111S64.8Low81.2Confident120 Ų120133 Ų13384%0.83970%0.696SS**SBendtrans-74.194.9178.8-52.30000110.4
112G77.1Confident80.7Confident48 Ų48135 Ų13550%0.49571%0.711SS.*SBendtrans158.3162.3167.600000115.6Y110 R114Y110-G112 PolarHBondContact O-N 3.41Å; G112-R114 PolarHBondContact O-N 2.76Å
113P77.3Confident80.2Confident127 Ų127134.9 Ų134.983%0.82571%0.71SS**  trans-66.3126.4175.525.7-31000110.8L115P113-L115 PolarHBondContact O-N 2.97Å
114R74.8Confident79.8Confident224 Ų224133 Ų13385%0.84570%0.704SS**  trans-81.5106176.8-174.7173.1-175.5-94.11.1109.8G112G112-R114 PolarHBondContact O-N 2.76Å
115L81.9Confident79.3Confident127 Ų127130.3 Ų130.367%0.66570%0.696SS**PPolyproline II helixtrans-67147.8168.1-64.5176.2000110.3P113P113-L115 PolarHBondContact O-N 2.97Å
116P83.9Confident79Confident68 Ų68132.3 Ų132.344%0.44270%0.701SS.*PPolyproline II helixtrans-53.4161.3163.9-24.335.2000111.4C121P116-C121 PolarHBondContact O-SG 3.42Å
117P83.5Confident79Confident68 Ų68132.9 Ų132.944%0.44269%0.692SS.*PPolyproline II helixtrans-49.8145.2169.3-23.930000111.3R119 Y120 C121P117-R119 PolarHBondContact O-N 3.26Å; P117-Y120 HydrophobicContact CB-CD2 3.87Å; P117-Y120 HydrophobicContact CB-CE2 4.27Å; P117-Y120 HydrophobicContact CG-CD2 3.87Å; P117-Y120 HydrophobicContact CG-CE2 4.11Å; P117-Y120 WeakPolarHBondContact O-CA 3.45Å; P117-Y120 PolarHBondContact O-N 2.96Å; P117-C121 PolarHBondContact O-N 3.08Å
118D80.5Confident79.1Confident125 Ų125136.2 Ų136.267%0.66869%0.694SS**G310 helixtrans-51.7-32.4-172.5-169.556.3000114Y120 C121D118-Y120 PolarHBondContact O-N 3.15Å; D118-C121 WeakPolarHBondContact O-CB 3.42Å; D118-C121 PolarHBondContact O-N 3.44Å
119R80.9Confident79.4Confident215 Ų215135.2 Ų135.281%0.81170%0.696SS**G310 helixtrans-60.8-23.5174.1-61.3-173.7-64.2-175.5-0.7114.8P117P117-R119 PolarHBondContact O-N 3.26Å
120Y82.3Confident79.7Confident165 Ų165137.8 Ų137.865%0.64769%0.693SS**G310 helixtrans-105.13.3176.3-53.1-69.1000111.9P117 D118P117-Y120 HydrophobicContact CB-CD2 3.87Å; P117-Y120 HydrophobicContact CB-CE2 4.27Å; P117-Y120 HydrophobicContact CG-CD2 3.87Å; P117-Y120 HydrophobicContact CG-CE2 4.11Å; P117-Y120 WeakPolarHBondContact O-CA 3.45Å; P117-Y120 PolarHBondContact O-N 2.96Å; D118-Y120 PolarHBondContact O-N 3.15Å
121C84.9Confident80.2Confident22 Ų22133.1 Ų133.115%0.14969%0.689CS.*  trans-90.9133172.9-73.70000109.8P116 P117 D118 T123P116-C121 PolarHBondContact O-SG 3.42Å; P117-C121 PolarHBondContact O-N 3.08Å; D118-C121 WeakPolarHBondContact O-CB 3.42Å; D118-C121 PolarHBondContact O-N 3.44Å; C121-T123 HydrophobicContact CB-CG2 4.22Å; C121-T123 PolarHBondContact O-N 3.06Å; C121-T123 VanDerWaalsContact O-N 3.08Å
122L83.4Confident80.6Confident185 Ų185135.4 Ų135.497%0.96969%0.691SS**THydrogen-bonded Turntrans-83.939.5175.2-61.5174.7000111.7
123T82.9Confident80.1Confident97 Ų97141.7 Ų141.760%0.59571%0.708SS**THydrogen-bonded Turntrans-91.2-23.4-178.842.60000112.5C121C121-T123 HydrophobicContact CB-CG2 4.22Å; C121-T123 PolarHBondContact O-N 3.06Å; C121-T123 VanDerWaalsContact O-N 3.08Å
124A80.7Confident79.2Confident71 Ų71144.6 Ų144.659%0.58771%0.708SS**SBendtrans-73.9135.7179.200000111.2N126A124-N126 PolarHBondContact O-N 3.31Å; A124-N126 VanDerWaalsContact O-N 3.15Å
125P79.9Confident78.5Confident106 Ų106143.5 Ų143.569%0.68871%0.709SS**  trans-61.7118.8174.522.4-30000110.4Y127P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 PolarHBondContact O-N 3.26Å
126N80.1Confident77.4Confident154 Ų154141.2 Ų141.282%0.82471%0.708SS**  trans-86.68.1177.865.8-14.8000113.2A124A124-N126 PolarHBondContact O-N 3.31Å; A124-N126 VanDerWaalsContact O-N 3.15Å
127Y83.9Confident76Confident183 Ų183143.4 Ų143.472%0.71872%0.723SS**  trans-133.1142.9178.265.2-86.7000110.6P125P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 PolarHBondContact O-N 3.26Å
128R82.4Confident74.7Confident237 Ų237144.4 Ų144.489%0.89474%0.737SS**  trans-121.6119.1170.2-173.2173.8175.6173-1.3107.6K130R128-K130 PolarHBondContact O-N 3.18Å
129L81.6Confident73.1Confident157 Ų157144.3 Ų144.382%0.82274%0.743SS**  trans-63.4120.4174.6-168.771.8000108.1S131L129-S131 PolarHBondContact O-N 3.48Å
130K79.5Confident71.8Confident195 Ų195139.3 Ų139.385%0.84875%0.748SS**  trans-67.7114.3166.8-72.5-178.3176.4178.60106.3R128 L132R128-K130 PolarHBondContact O-N 3.18Å; K130-L132 PolarHBondContact O-N 3.22Å; K130-L132 VanDerWaalsContact O-N 3.08Å
131S77.8Confident70.4Confident101 Ų101134.9 Ų134.971%0.70675%0.752SS**  trans-57.8118.1172.354.80000107.9L129 Q133L129-S131 PolarHBondContact O-N 3.48Å; S131-Q133 PolarHBondContact O-N 3.19Å
132L72.3Confident68.5Low168 Ų168144.9 Ų144.988%0.8879%0.787SS**  trans-60.6114.2166.1-132.283.7000105.6K130 K134K130-L132 PolarHBondContact O-N 3.22Å; K130-L132 VanDerWaalsContact O-N 3.08Å; L132-K134 VanDerWaalsContact C-N 3.27Å; L132-K134 PolarHBondContact O-N 3.08Å
133Q67.4Low67Low181 Ų181144.2 Ų144.285%0.84678%0.782SS**  trans-60.4100.9167.8-74.7-174.9-21.600106.2S131 K135S131-Q133 PolarHBondContact O-N 3.19Å; Q133-K135 VanDerWaalsContact C-N 3.25Å; Q133-K135 PolarHBondContact O-N 3.05Å
134K58.4Low65.6Low188 Ų188145.3 Ų145.382%0.81779%0.789SS**  trans-62.798.2167.3-173.8173.7-177.4175.60104.9L132 A136L132-K134 VanDerWaalsContact C-N 3.27Å; L132-K134 PolarHBondContact O-N 3.08Å; K134-A136 VanDerWaalsContact C-N 3.3Å; K134-A136 PolarHBondContact O-N 2.81Å
135K60.5Low63.9Low200 Ų200148 Ų14887%0.8780%0.798SS**  trans-54106.3163-105.1-177.4175.9178.70104.7Q133Q133-K135 VanDerWaalsContact C-N 3.25Å; Q133-K135 PolarHBondContact O-N 3.05Å
136A58Low62.4Low79 Ų79148.9 Ų148.965%0.65380%0.803SS**PPolyproline II helixtrans-54.5133.3170.300000106.5K134 A138K134-A136 VanDerWaalsContact C-N 3.3Å; K134-A136 PolarHBondContact O-N 2.81Å; A136-A138 PolarHBondContact O-N 2.84Å; A136-A138 VanDerWaalsContact O-N 3.09Å
137P54Low61Low115 Ų115152.9 Ų152.975%0.74781%0.807SS**PPolyproline II helixtrans-56.5122.716823.8-29.6000106.7
138A56.3Low59Low89 Ų89152 Ų15274%0.73681%0.814SS**PPolyproline II helixtrans-55.7130.617900000108.5A136 A140A136-A138 PolarHBondContact O-N 2.84Å; A136-A138 VanDerWaalsContact O-N 3.09Å; A138-A140 PolarHBondContact O-N 3.31Å
139P48.7Very low57.4Low123 Ų123145.9 Ų145.980%0.79981%0.808SS**PPolyproline II helixtrans-62.4125.2170.525.8-31000107.9G141P139-G141 PolarHBondContact O-N 2.86Å
140A53.8Low55.8Low110 Ų110144.9 Ų144.991%0.90981%0.808SS**SBendtrans-58124.1173.100000109.2A138A138-A140 PolarHBondContact O-N 3.31Å
141G51.5Low53.9Low71 Ų71138.7 Ų138.773%0.73280%0.799SS**  trans113.981.8164.900000116P139P139-G141 PolarHBondContact O-N 2.86Å
142R44.7Very low52.4Low233 Ų233139.5 Ų139.588%0.87980%0.804SS**  -178.1115.5126.8-111.3176.2170.8168.3-2.8109.2T144R142-T144 PolarHBondContact O-N 3.09Å; R142-T144 VanDerWaalsContact O-N 3.12Å
143I53.5Low51Low171 Ų171138.2 Ų138.288%0.87780%0.803SS**  trans-64.2111167.8-61165.1000106.4
144T52Low49.9Very low119 Ų119135 Ų13573%0.7380%0.801SS**  trans-120.7124.3164.353.40000107.1R142R142-T144 PolarHBondContact O-N 3.09Å; R142-T144 VanDerWaalsContact O-N 3.12Å
145V46.7Very low49.2Very low128 Ų128135.4 Ų135.478%0.77683%0.828SS**  trans-64.7139.1-177.8-72.80000110.4R147V145-R147 PolarHBondContact O-N 3.25Å
146P46.5Very low48.6Very low125 Ų125132.2 Ų132.281%0.81283%0.825SS**  trans-72.7119.8179.2-8.423.8000110.3
147R51Low48.1Very low237 Ų237135 Ų13589%0.89484%0.835SS**  trans-81.8114.3164-175.3-166.1175.8177.71.2108.4V145 S149V145-R147 PolarHBondContact O-N 3.25Å; R147-S149 PolarHBondContact O-N 3.22Å
148L42.8Very low47.8Very low164 Ų164136.1 Ų136.186%0.85984%0.839SS**  trans-61.2114.8169.3-83.4138.1000109.9
149S49.4Very low47.3Very low110 Ų110138.9 Ų138.977%0.76985%0.846SS**  trans-99.6114.1163.8175.80000107.5R147 G151R147-S149 PolarHBondContact O-N 3.22Å; S149-G151 PolarHBondContact O-N 3.12Å
150V46.3Very low47.2Very low136 Ų136139.9 Ų139.982%0.82485%0.848SS**PPolyproline II helixtrans-72.3118.3173.1-175.60000107.1
151G40.6Very low46.7Very low64 Ų64141.9 Ų141.966%0.6684%0.844SS**PPolyproline II helixtrans-68130.817700000111.1S149S149-G151 PolarHBondContact O-N 3.12Å
152S46.1Very low46.4Very low118 Ų118146.9 Ų146.983%0.82585%0.852SS**PPolyproline II helixtrans-72.8126.7166.6540000109.5
153V43.4Very low46.5Very low141 Ų141140.3 Ų140.386%0.85585%0.85SS**PPolyproline II helixtrans-73.2137.2168.3-44.50000108.6
154S44Very low46Very low115 Ų115137.8 Ų137.880%0.80485%0.848SS**  trans-142.9135.116062.20000109.7
155S42.7Very low45.4Very low196 Ų196139.5 Ų139.5100%1.37186%0.859SS**  trans-58.30-173.7-49.30000116.2

Retrieved 155 of 155 residues in 106.8 ms (Link to these results)