A0A087XXA1_POEFO Loading...

Max-binding protein MNT

Binds DNA as a heterodimer with MAX and represses transcription. Binds to the canonical E box sequence 5'-CACGTG-3' and, with higher affinity, to 5'-CACGCG-3'.

AlphaFold DB , UniProt , Accession A0A087XXA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 608 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
1M67.9Low91Very high214 Ų214103 Ų103100%1.05455%0.552SS**  0156.20-76.3178.9153.600108.3T5M1-T5 HydrophobicContact CB-CG2 4.44Å; M1-T5 HydrophobicContact CE-CG2 4.4Å; M1-T5 HydrophobicContact CG-CG2 4.37Å; M1-T5 HydrophobicContact SD-CG2 4.35Å
2S89.1Confident91.4Very high60 Ų60106 Ų10642%0.4255%0.552SS.*  trans-76.9163.4170.2-158.70000110.3D4 T5 L6S2-D4 VanDerWaalsContact CB-OD2 3.26Å; S2-D4 WeakPolarHBondContact CB-OD2 3.4Å; S2-D4 PolarHBondContact O-N 3.49Å; S2-D4 PolarHBondContact OG-OD2 3.34Å; S2-T5 PolarHBondContact N-OG1 3.23Å; S2-T5 WeakPolarHBondContact O-CB 3.34Å; S2-T5 PolarHBondContact O-N 3.19Å; S2-L6 PolarHBondContact O-N 3.22Å
3I90.6Very high91.8Very high121 Ų121106.2 Ų106.262%0.62155%0.553SS**Hα-helixtrans-62.3-36.3170-168.5166.4000110.8T5 L6 L7I3-T5 VanDerWaalsContact C-N 3.31Å; I3-T5 PolarHBondContact O-N 3.41Å; I3-L6 WeakPolarHBondContact O-CB 3.35Å; I3-L6 PolarHBondContact O-N 3.07Å; I3-L6 VanDerWaalsContact O-N 3.08Å; I3-L7 HydrophobicContact CG1-CD1 4.25Å; I3-L7 WeakPolarHBondContact O-CG 3.21Å; I3-L7 PolarHBondContact O-N 3.27Å
4D90.8Very high91.9Very high101 Ų101108.9 Ų108.954%0.5456%0.561SS.*Hα-helixtrans-62.2-40176.8-32.5-80.5000111.1S2 L6 L7 E8S2-D4 VanDerWaalsContact CB-OD2 3.26Å; S2-D4 WeakPolarHBondContact CB-OD2 3.4Å; S2-D4 PolarHBondContact O-N 3.49Å; S2-D4 PolarHBondContact OG-OD2 3.34Å; D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 3.24Å; D4-L7 PolarHBondContact O-N 3.13Å; D4-E8 WeakPolarHBondContact O-CB 3.35Å; D4-E8 PolarHBondContact O-N 2.95Å
5T93.8Very high92.2Very high66 Ų66110.5 Ų110.541%0.40556%0.558SS.*Hα-helixtrans-61.9-35.3175.5-39.30000111.9M1 S2 I3 A9M1-T5 HydrophobicContact CB-CG2 4.44Å; M1-T5 HydrophobicContact CE-CG2 4.4Å; M1-T5 HydrophobicContact CG-CG2 4.37Å; M1-T5 HydrophobicContact SD-CG2 4.35Å; S2-T5 PolarHBondContact N-OG1 3.23Å; S2-T5 WeakPolarHBondContact O-CB 3.34Å; S2-T5 PolarHBondContact O-N 3.19Å; I3-T5 VanDerWaalsContact C-N 3.31Å; I3-T5 PolarHBondContact O-N 3.41Å; T5-A9 WeakPolarHBondContact O-CB 3.4Å; T5-A9 PolarHBondContact O-N 3.49Å; T5-A9 VanDerWaalsContact O-N 3.15Å
6L95.4Very high92.3Very high121 Ų121108.9 Ų108.963%0.63455%0.548SS*.Hα-helixtrans-77.2-37.7178.5-173.663.9000111.7S2 I3 D4 A9 A10S2-L6 PolarHBondContact O-N 3.22Å; I3-L6 WeakPolarHBondContact O-CB 3.35Å; I3-L6 PolarHBondContact O-N 3.07Å; I3-L6 VanDerWaalsContact O-N 3.08Å; D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 3.24Å; L6-A9 PolarHBondContact O-N 3.24Å; L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.14Å
7L95.1Very high92.3Very high102 Ų102105.1 Ų105.153%0.53454%0.537SS..Hα-helixtrans-67.7-39.1175-68.8170.3000112I3 D4 A10 R11I3-L7 HydrophobicContact CG1-CD1 4.25Å; I3-L7 WeakPolarHBondContact O-CG 3.21Å; I3-L7 PolarHBondContact O-N 3.27Å; D4-L7 PolarHBondContact O-N 3.13Å; L7-A10 PolarHBondContact O-N 3.44Å; L7-R11 WeakPolarHBondContact O-CB 3.43Å; L7-R11 PolarHBondContact O-N 2.98Å
8E94.4Very high92.3Very high104 Ų104105.9 Ų105.949%0.48654%0.538SS..Hα-helixtrans-66.4-41.5174.5-158.462.8-117.900111.4D4 A10 R11 Y12D4-E8 WeakPolarHBondContact O-CB 3.35Å; D4-E8 PolarHBondContact O-N 2.95Å; E8-A10 PolarHBondContact O-N 2.87Å; E8-R11 PolarHBondContact O-N 3.29Å; E8-R11 IonicContact OE1-CZ 3.37Å; E8-R11 IonicContact OE1-NH1 2.8Å; E8-R11 PolarHBondContact OE1-NH1 2.91Å; E8-R11 IonicContact OE2-CZ 3.19Å; E8-R11 IonicContact OE2-NH1 2.68Å; E8-R11 PolarHBondContact OE2-NH1 2.8Å; E8-Y12 WeakPolarHBondContact O-CB 3.42Å; E8-Y12 PolarHBondContact O-N 3.25Å
9A94.2Very high92.2Very high49 Ų49104.9 Ų104.941%0.40553%0.531SS..Hα-helixtrans-63.8-39.3173.600000112.4T5 L6 Y12 L13T5-A9 WeakPolarHBondContact O-CB 3.4Å; T5-A9 PolarHBondContact O-N 3.49Å; T5-A9 VanDerWaalsContact O-N 3.15Å; L6-A9 PolarHBondContact O-N 3.24Å; A9-Y12 PolarHBondContact O-N 2.95Å; A9-L13 WeakPolarHBondContact O-CG 3.14Å; A9-L13 PolarHBondContact O-N 2.84Å
10A95.3Very high91.9Very high54 Ų54106.5 Ų106.545%0.44654%0.536SS..Hα-helixtrans-63.8-45.4174.800000111.8L6 L7 E8 Y12 L13 E14L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.14Å; L7-A10 PolarHBondContact O-N 3.44Å; E8-A10 PolarHBondContact O-N 2.87Å; A10-Y12 VanDerWaalsContact C-N 3.32Å; A10-Y12 PolarHBondContact O-N 3.36Å; A10-L13 PolarHBondContact O-N 3.45Å; A10-E14 PolarHBondContact O-N 3.24Å
11R94.5Very high91.6Very high141 Ų141105.8 Ų105.853%0.53253%0.531SS..Hα-helixtrans-59.4-41.4174.9-171.6-171.6-60.6140.54.6112.1L7 E8 E14 W15L7-R11 WeakPolarHBondContact O-CB 3.43Å; L7-R11 PolarHBondContact O-N 2.98Å; E8-R11 PolarHBondContact O-N 3.29Å; E8-R11 IonicContact OE1-CZ 3.37Å; E8-R11 IonicContact OE1-NH1 2.8Å; E8-R11 PolarHBondContact OE1-NH1 2.91Å; E8-R11 IonicContact OE2-CZ 3.19Å; E8-R11 IonicContact OE2-NH1 2.68Å; E8-R11 PolarHBondContact OE2-NH1 2.8Å; R11-E14 PolarHBondContact O-N 3.08Å; R11-W15 WeakPolarHBondContact O-CB 3.27Å; R11-W15 PolarHBondContact O-N 2.98Å
12Y95.9Very high92.2Very high139 Ų139100.1 Ų100.155%0.54550%0.502SS..Hα-helixtrans-65.6-40.1177.6-172.3-93.3000112.5E8 A9 A10 W15 Q16E8-Y12 WeakPolarHBondContact O-CB 3.42Å; E8-Y12 PolarHBondContact O-N 3.25Å; A9-Y12 PolarHBondContact O-N 2.95Å; A10-Y12 VanDerWaalsContact C-N 3.32Å; A10-Y12 PolarHBondContact O-N 3.36Å; Y12-W15 HydrophobicContact CD2-CE3 4.27Å; Y12-W15 AromaticContact CE2-CE3 4Å; Y12-W15 HydrophobicContact CE2-CE3 4Å; Y12-W15 AromaticContact CE2-CZ3 3.93Å; Y12-W15 HydrophobicContact CE2-CZ3 3.93Å; Y12-Q16 WeakPolarHBondContact O-CB 3.19Å; Y12-Q16 PolarHBondContact O-N 3.41Å
13L96.2Very high91.6Very high109 Ų109100.7 Ų100.757%0.57150%0.503SS*.Hα-helixtrans-67.1-38.7175.2-71.7169.3000112.4A9 A10 Q16 A17A9-L13 WeakPolarHBondContact O-CG 3.14Å; A9-L13 PolarHBondContact O-N 2.84Å; A10-L13 PolarHBondContact O-N 3.45Å; L13-Q16 PolarHBondContact O-N 2.92Å; L13-A17 WeakPolarHBondContact O-CB 3.26Å; L13-A17 PolarHBondContact O-N 2.9Å
14E93.8Very high90.9Very high143 Ų143103.6 Ų103.667%0.66851%0.506SS*.Hα-helixtrans-64-46.3174.4-176170-115.500111.5A10 R11 Q16 A17 Q18A10-E14 PolarHBondContact O-N 3.24Å; R11-E14 PolarHBondContact O-N 3.08Å; E14-Q16 PolarHBondContact O-N 3.24Å; E14-A17 PolarHBondContact O-N 3.44Å; E14-Q18 PolarHBondContact O-N 3.15Å
15W95.9Very high90.1Very high134 Ų134107.1 Ų107.151%0.50851%0.512SS..Hα-helixtrans-59.9-42.9173.5176.175.7000112.4R11 Y12 A17 Q18 Q19R11-W15 WeakPolarHBondContact O-CB 3.27Å; R11-W15 PolarHBondContact O-N 2.98Å; Y12-W15 HydrophobicContact CD2-CE3 4.27Å; Y12-W15 AromaticContact CE2-CE3 4Å; Y12-W15 HydrophobicContact CE2-CE3 4Å; Y12-W15 AromaticContact CE2-CZ3 3.93Å; Y12-W15 HydrophobicContact CE2-CZ3 3.93Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 2.99Å; W15-Q18 PolarHBondContact O-N 3.17Å; W15-Q19 HydrophobicContact CD2-CG 4.43Å; W15-Q19 HydrophobicContact CH2-CG 4.41Å; W15-Q19 HydrophobicContact CZ2-CG 3.94Å; W15-Q19 PolarHBondContact O-N 3.13Å
16Q94Very high89.1Confident85 Ų85109.3 Ų109.340%0.39752%0.518SS..Hα-helixtrans-63.9-38.8176.7-171.5176.323.700112.1Y12 L13 E14 Q19 Q20Y12-Q16 WeakPolarHBondContact O-CB 3.19Å; Y12-Q16 PolarHBondContact O-N 3.41Å; L13-Q16 PolarHBondContact O-N 2.92Å; E14-Q16 PolarHBondContact O-N 3.24Å; Q16-Q19 PolarHBondContact O-N 3.46Å; Q16-Q20 PolarHBondContact O-N 2.59Å; Q16-Q20 VanDerWaalsContact O-N 3.16Å
17A91.9Very high87.9Confident44 Ų44107.8 Ų107.836%0.36451%0.51SS..Hα-helixtrans-67.2-37.2174.100000112L13 E14 W15 Q20 Q21L13-A17 WeakPolarHBondContact O-CB 3.26Å; L13-A17 PolarHBondContact O-N 2.9Å; E14-A17 PolarHBondContact O-N 3.44Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 2.99Å; A17-Q20 PolarHBondContact O-N 2.86Å; A17-Q21 WeakPolarHBondContact O-CG 3.49Å; A17-Q21 PolarHBondContact O-N 3.29Å
18Q92.7Very high86.6Confident120 Ų120109.2 Ų109.256%0.56151%0.514SS*.Hα-helixtrans-65.6-42.1175.6-169169.328.600111.9E14 W15 Q20 Q21 Q22E14-Q18 PolarHBondContact O-N 3.15Å; W15-Q18 PolarHBondContact O-N 3.17Å; Q18-Q20 PolarHBondContact O-N 3.12Å; Q18-Q21 PolarHBondContact O-N 3.04Å; Q18-Q22 PolarHBondContact O-N 3.02Å
19Q89.6Confident85.3Confident86 Ų86106.7 Ų106.740%0.40251%0.507SS..Hα-helixtrans-58.7-45172.8-76.4-62118.500112.1W15 Q16 Q21 Q22 T23W15-Q19 HydrophobicContact CD2-CG 4.43Å; W15-Q19 HydrophobicContact CH2-CG 4.41Å; W15-Q19 HydrophobicContact CZ2-CG 3.94Å; W15-Q19 PolarHBondContact O-N 3.13Å; Q16-Q19 PolarHBondContact O-N 3.46Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.9Å; Q19-Q22 PolarHBondContact O-N 3.25Å; Q19-T23 PolarHBondContact O-N 2.8Å; Q19-T23 PolarHBondContact O-OG1 3.06Å
20Q87.4Confident84.1Confident136 Ų136110.8 Ų110.864%0.63652%0.516SS*.Hα-helixtrans-63.1-37.7176.2-73.3-174.9-3.100112.8Q16 A17 Q18 Q22 R24Q16-Q20 PolarHBondContact O-N 2.59Å; Q16-Q20 VanDerWaalsContact O-N 3.16Å; A17-Q20 PolarHBondContact O-N 2.86Å; Q18-Q20 PolarHBondContact O-N 3.12Å; Q20-Q22 VanDerWaalsContact C-N 3.35Å; Q20-R24 WeakPolarHBondContact O-CB 3.29Å; Q20-R24 PolarHBondContact O-N 3.04Å
21Q84.7Confident82.8Confident92 Ų92114.8 Ų114.843%0.4353%0.525SS..Hα-helixtrans-66.6-35.9173.7-73.1-175.543.200112.3A17 Q18 Q19 R25A17-Q21 WeakPolarHBondContact O-CG 3.49Å; A17-Q21 PolarHBondContact O-N 3.29Å; Q18-Q21 PolarHBondContact O-N 3.04Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.9Å; Q21-R25 WeakPolarHBondContact O-CB 3.33Å; Q21-R25 VanDerWaalsContact O-CG 3.28Å; Q21-R25 WeakPolarHBondContact O-CG 3.24Å; Q21-R25 PolarHBondContact O-N 3.38Å
22Q81.1Confident81.7Confident95 Ų95114.1 Ų114.144%0.44453%0.528SS..Hα-helixtrans-69.6-49.4177.6-178.9155.9-11.500111.7Q18 Q19 Q20 R24 R25 E26Q18-Q22 PolarHBondContact O-N 3.02Å; Q19-Q22 PolarHBondContact O-N 3.25Å; Q20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-R24 VanDerWaalsContact C-N 3.29Å; Q22-R24 PolarHBondContact O-N 3Å; Q22-R25 PolarHBondContact O-N 3.16Å; Q22-E26 WeakPolarHBondContact CG-OE1 3.03Å; Q22-E26 PolarHBondContact NE2-OE1 2.96Å; Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.44Å
23T76.5Confident80.6Confident72 Ų72114.3 Ų114.344%0.44253%0.532SS..Hα-helixtrans-54.5-46.4173.8-55.40000111.1Q19 R25 E26 D27Q19-T23 PolarHBondContact O-N 2.8Å; Q19-T23 PolarHBondContact O-OG1 3.06Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 3.47Å; T23-E26 PolarHBondContact O-N 3.31Å; T23-D27 PolarHBondContact O-N 3.17Å
24R76.2Confident79.5Confident182 Ų182114 Ų11469%0.68753%0.527SS*.Hα-helixtrans-61-34.6176.8-175.3177.3174.9-165.8-3.6113.7Q20 Q22 E26 E28Q20-R24 WeakPolarHBondContact O-CB 3.29Å; Q20-R24 PolarHBondContact O-N 3.04Å; Q22-R24 VanDerWaalsContact C-N 3.29Å; Q22-R24 PolarHBondContact O-N 3Å; R24-E26 VanDerWaalsContact C-N 3.34Å; R24-E28 PolarHBondContact O-N 2.95Å; R24-E28 VanDerWaalsContact O-N 3.12Å
25R73.9Confident78.5Confident175 Ų175109.6 Ų109.666%0.6652%0.516SS*.Hα-helixtrans-75.3-21.3175.5-76.8177.1-174.6-172.44.7113.3Q21 Q22 T23 P29Q21-R25 WeakPolarHBondContact O-CB 3.33Å; Q21-R25 VanDerWaalsContact O-CG 3.28Å; Q21-R25 WeakPolarHBondContact O-CG 3.24Å; Q21-R25 PolarHBondContact O-N 3.38Å; Q22-R25 PolarHBondContact O-N 3.16Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 3.47Å; R25-P29 WeakPolarHBondContact O-CD 3.07Å; R25-P29 WeakPolarHBondContact O-CG 3.48Å
26E72.5Confident77.5Confident113 Ų113108 Ų10853%0.52852%0.516SS..Hα-helixtrans-86.1-33.9175-70.2168.2-170.600110.8Q22 T23 R24Q22-E26 WeakPolarHBondContact CG-OE1 3.03Å; Q22-E26 PolarHBondContact NE2-OE1 2.96Å; Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.44Å; T23-E26 PolarHBondContact O-N 3.31Å; R24-E26 VanDerWaalsContact C-N 3.34Å
27D70.1Confident76.7Confident88 Ų88110.1 Ų110.147%0.47152%0.524SS..Hα-helixtrans-72.4-38.5174.8-67.9-33.7000113.9T23 F30 Q31T23-D27 PolarHBondContact O-N 3.17Å; D27-F30 WeakPolarHBondContact O-CB 3.46Å; D27-F30 PolarHBondContact O-N 2.91Å; D27-F30 VanDerWaalsContact O-N 3.15Å; D27-Q31 PolarHBondContact O-N 3.5Å
28E67Low75.8Confident132 Ų132111.9 Ų111.962%0.61753%0.531SS*.Hα-helixtrans-53.9-55.6-179.9-103.1-137.2129.900114.1R24 F30 Q31 E32R24-E28 PolarHBondContact O-N 2.95Å; R24-E28 VanDerWaalsContact O-N 3.12Å; E28-F30 PolarHBondContact O-N 3.12Å; E28-F30 VanDerWaalsContact O-N 3.13Å; E28-Q31 PolarHBondContact O-N 2.89Å; E28-E32 PolarHBondContact O-N 3.26Å
29P67.3Low74.8Confident51 Ų51111.2 Ų111.233%0.33153%0.527SS..Hα-helixtrans-72.8-2.8-179.531.5-37.7000113.3R25 K33R25-P29 WeakPolarHBondContact O-CD 3.07Å; R25-P29 WeakPolarHBondContact O-CG 3.48Å; P29-K33 WeakPolarHBondContact O-CD 3.49Å; P29-K33 VanDerWaalsContact O-CE 3.26Å; P29-K33 WeakPolarHBondContact O-CE 3.45Å; P29-K33 VanDerWaalsContact O-CG 3.27Å; P29-K33 WeakPolarHBondContact O-CG 3.47Å; P29-K33 PolarHBondContact O-NZ 3.15Å
30F69.1Low73.9Confident136 Ų136110 Ų11060%0.59653%0.532SS*.Hα-helixtrans-85.5-52165.5-170.5-87.2000110.2D27 E28 E32 K33 E34D27-F30 WeakPolarHBondContact O-CB 3.46Å; D27-F30 PolarHBondContact O-N 2.91Å; D27-F30 VanDerWaalsContact O-N 3.15Å; E28-F30 PolarHBondContact O-N 3.12Å; E28-F30 VanDerWaalsContact O-N 3.13Å; F30-E32 PolarHBondContact O-N 3.04Å; F30-K33 PolarHBondContact O-N 3.3Å; F30-E34 PolarHBondContact O-N 3.45Å
31Q67.8Low72.8Confident137 Ų137109 Ų10964%0.6453%0.527SS*.Hα-helixtrans-61.6-39.9176.5-89.3-168.289.900113.2D27 E28 K33 E34 A35D27-Q31 PolarHBondContact O-N 3.5Å; E28-Q31 PolarHBondContact O-N 2.89Å; Q31-K33 VanDerWaalsContact C-N 3.31Å; Q31-K33 PolarHBondContact O-N 3.38Å; Q31-E34 PolarHBondContact O-N 2.87Å; Q31-A35 WeakPolarHBondContact O-CB 3.32Å; Q31-A35 PolarHBondContact O-N 2.95Å
32E72.3Confident71.6Confident128 Ų128108.3 Ų108.360%0.59853%0.532SS*.Hα-helixtrans-60.9-41.9177-171.4-174.9-154.700111.1E28 F30 A35 I36E28-E32 PolarHBondContact O-N 3.26Å; F30-E32 PolarHBondContact O-N 3.04Å; E32-A35 PolarHBondContact O-N 3.02Å; E32-I36 HydrophobicContact CG-CD1 3.92Å; E32-I36 WeakPolarHBondContact O-CB 3.25Å; E32-I36 VanDerWaalsContact O-CG1 3.24Å; E32-I36 WeakPolarHBondContact O-CG1 3.45Å; E32-I36 PolarHBondContact O-N 2.95Å
33K72.6Confident70.5Confident143 Ų143109.4 Ų109.462%0.62254%0.536SS*.Hα-helixtrans-68.8-36.3176.8-70173.6-165.7154.40112.3P29 F30 Q31 K37P29-K33 WeakPolarHBondContact O-CD 3.49Å; P29-K33 VanDerWaalsContact O-CE 3.26Å; P29-K33 WeakPolarHBondContact O-CE 3.45Å; P29-K33 VanDerWaalsContact O-CG 3.27Å; P29-K33 WeakPolarHBondContact O-CG 3.47Å; P29-K33 PolarHBondContact O-NZ 3.15Å; F30-K33 PolarHBondContact O-N 3.3Å; Q31-K33 VanDerWaalsContact C-N 3.31Å; Q31-K33 PolarHBondContact O-N 3.38Å; K33-K37 WeakPolarHBondContact O-CB 3.43Å; K33-K37 PolarHBondContact O-N 3.42Å
34E74.3Confident69.4Low101 Ų101112.6 Ų112.647%0.47255%0.545SS..Hα-helixtrans-71.5-35.7177-168.7156.1-134.600112.1F30 Q31 T38F30-E34 PolarHBondContact O-N 3.45Å; Q31-E34 PolarHBondContact O-N 2.87Å; E34-T38 PolarHBondContact O-N 3.22Å; E34-T38 PolarHBondContact O-OG1 3.47Å
35A72.1Confident68.3Low52 Ų52108.6 Ų108.643%0.4354%0.541SS..Hα-helixtrans-65.5-49.6170.700000112Q31 E32 K37 T38 E39Q31-A35 WeakPolarHBondContact O-CB 3.32Å; Q31-A35 PolarHBondContact O-N 2.95Å; E32-A35 PolarHBondContact O-N 3.02Å; A35-K37 VanDerWaalsContact C-N 3.28Å; A35-K37 PolarHBondContact O-N 3.22Å; A35-T38 WeakPolarHBondContact CA-OG1 3.42Å; A35-T38 PolarHBondContact O-N 2.9Å; A35-T38 PolarHBondContact O-OG1 3.24Å; A35-T38 VanDerWaalsContact O-OG1 3.08Å; A35-E39 WeakPolarHBondContact O-CB 3.28Å; A35-E39 PolarHBondContact O-N 3.46Å
36I75.7Confident67.1Low99 Ų99107.6 Ų107.651%0.50854%0.544SS..Hα-helixtrans-60.5-39.5176.4-69.9166.8000110.9E32 A40E32-I36 HydrophobicContact CG-CD1 3.92Å; E32-I36 WeakPolarHBondContact O-CB 3.25Å; E32-I36 VanDerWaalsContact O-CG1 3.24Å; E32-I36 WeakPolarHBondContact O-CG1 3.45Å; E32-I36 PolarHBondContact O-N 2.95Å; I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 2.92Å
37K75.9Confident65.9Low130 Ų130109.8 Ų109.857%0.56556%0.558SS**Hα-helixtrans-63.1-49.1175.7-177.2-168.4168.4-159.50111.6K33 A35 A40 E41K33-K37 WeakPolarHBondContact O-CB 3.43Å; K33-K37 PolarHBondContact O-N 3.42Å; A35-K37 VanDerWaalsContact C-N 3.28Å; A35-K37 PolarHBondContact O-N 3.22Å; K37-A40 PolarHBondContact O-N 2.85Å; K37-E41 WeakPolarHBondContact O-CB 3.34Å; K37-E41 PolarHBondContact O-N 3.35Å
38T72.7Confident65Low82 Ų82111 Ų11150%0.50357%0.568SS.*Hα-helixtrans-68.3-32.8-179.844.70000112.6E34 A35 E41 S42E34-T38 PolarHBondContact O-N 3.22Å; E34-T38 PolarHBondContact O-OG1 3.47Å; A35-T38 WeakPolarHBondContact CA-OG1 3.42Å; A35-T38 PolarHBondContact O-N 2.9Å; A35-T38 PolarHBondContact O-OG1 3.24Å; A35-T38 VanDerWaalsContact O-OG1 3.08Å; T38-E41 PolarHBondContact O-N 2.81Å; T38-S42 WeakPolarHBondContact O-CB 3.44Å; T38-S42 PolarHBondContact O-N 3.36Å
39E72.6Confident64.3Low106 Ų106110.1 Ų110.150%0.49557%0.572SS.*Hα-helixtrans-66.7-40.8171.7-166.3-173.5154.200112A35 K43A35-E39 WeakPolarHBondContact O-CB 3.28Å; A35-E39 PolarHBondContact O-N 3.46Å; E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.04Å; E39-K43 VanDerWaalsContact O-N 3.14Å; E39-K43 VanDerWaalsContact OE1-CE 3.29Å; E39-K43 WeakPolarHBondContact OE1-CE 3.48Å; E39-K43 IonicContact OE1-NZ 2.59Å; E39-K43 PolarHBondContact OE1-NZ 3.26Å
40A69.4Low62.5Low59 Ų59113 Ų11349%0.48859%0.594SS.*Hα-helixtrans-66.3-40.3174.800000112.5I36 K37 K43 H44I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 2.92Å; K37-A40 PolarHBondContact O-N 2.85Å; A40-K43 PolarHBondContact O-N 3.14Å; A40-H44 PolarHBondContact O-N 3.05Å; A40-H44 VanDerWaalsContact O-N 3.13Å
41E65Low61.5Low116 Ų116112.4 Ų112.454%0.54260%0.603SS.*Hα-helixtrans-67.3-39.8178-159.8165164.800111.2K37 T38 H44 V45K37-E41 WeakPolarHBondContact O-CB 3.34Å; K37-E41 PolarHBondContact O-N 3.35Å; T38-E41 PolarHBondContact O-N 2.81Å; E41-H44 PolarHBondContact O-N 3.43Å; E41-V45 PolarHBondContact O-N 2.95Å
42S59.4Low60.3Low77 Ų77113.6 Ų113.654%0.53861%0.613SS.*Hα-helixtrans-58.4-49172.3-172.80000112.5T38 H44 V45 E46T38-S42 WeakPolarHBondContact O-CB 3.44Å; T38-S42 PolarHBondContact O-N 3.36Å; S42-H44 PolarHBondContact O-N 3.41Å; S42-V45 PolarHBondContact O-N 2.94Å; S42-E46 PolarHBondContact O-N 3.48Å
43K57.6Low58.9Low119 Ų119113 Ų11352%0.51762%0.621SS.*Hα-helixtrans-62.5-29.2177.6-71.4168.6-175.6170.70113.2E39 A40E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.04Å; E39-K43 VanDerWaalsContact O-N 3.14Å; E39-K43 VanDerWaalsContact OE1-CE 3.29Å; E39-K43 WeakPolarHBondContact OE1-CE 3.48Å; E39-K43 IonicContact OE1-NZ 2.59Å; E39-K43 PolarHBondContact OE1-NZ 3.26Å; A40-K43 PolarHBondContact O-N 3.14Å
44H53.7Low57.2Low139 Ų139111.7 Ų111.764%0.64463%0.625SS**Hα-helixtrans-73.1-30.4175.3-169.1-84.7000112.6A40 E41 S42A40-H44 PolarHBondContact O-N 3.05Å; A40-H44 VanDerWaalsContact O-N 3.13Å; E41-H44 PolarHBondContact O-N 3.43Å; S42-H44 PolarHBondContact O-N 3.41Å
45V54.4Low55.4Low98 Ų98118.4 Ų118.459%0.59465%0.645SS**Hα-helixtrans-73.4-39.7175.5174.10000111.7E41 S42 L47 V48E41-V45 PolarHBondContact O-N 2.95Å; S42-V45 PolarHBondContact O-N 2.94Å; V45-L47 VanDerWaalsContact C-N 3.34Å; V45-L47 PolarHBondContact O-N 3.41Å; V45-V48 PolarHBondContact O-N 3.23Å
46E47Very low53.6Low153 Ų153120 Ų12072%0.71566%0.659SS**Hα-helixtrans-62.8-37.8-179.1-168.2173.1-170.900112.6S42 V48 T49S42-E46 PolarHBondContact O-N 3.48Å; E46-V48 PolarHBondContact O-N 2.94Å; E46-T49 PolarHBondContact O-N 2.91Å
47L49.2Very low52Low159 Ų159122.2 Ų122.283%0.83267%0.671SS**THydrogen-bonded Turntrans-69.1-16.7-177.7-162.666.8000114.2V45V45-L47 VanDerWaalsContact C-N 3.34Å; V45-L47 PolarHBondContact O-N 3.41Å
48V50.4Low50.1Low113 Ų113125.1 Ų125.169%0.68569%0.687SS**THydrogen-bonded Turntrans-90.3-15.2-175.1176.50000112.9V45 E46V45-V48 PolarHBondContact O-N 3.23Å; E46-V48 PolarHBondContact O-N 2.94Å
49T51.2Low48.3Very low114 Ų114127.3 Ų127.370%0.69970%0.7SS**  trans-131.479.2-169.1-45.70000114E46E46-T49 PolarHBondContact O-N 2.91Å
50S31.1Very low46.4Very low113 Ų113127 Ų12779%0.7972%0.716SS**  trans-153.2125.8163.5-164.80000113.3
51P47.1Very low44.5Very low122 Ų122136.3 Ų136.379%0.79274%0.739SS**  trans-95150.9-177.235.5-33.8000115
52L43.6Very low42.9Very low162 Ų162135 Ų13585%0.84875%0.747SS**  trans-85.6146.2-176.3-175.876.9000114.2
53P42.6Very low41.6Very low117 Ų117139 Ų13976%0.7676%0.763SS**  trans-137.698.2151.835.1-18.6000116.4
54V35.6Very low40.3Very low115 Ų115142.2 Ų142.270%0.69778%0.78SS**  35.6129.5126-1770000122.2
55R37Very low39.7Very low241 Ų241139.9 Ų139.991%0.90978%0.784SS**  trans76.1152.7158-96.2179.5169.7152.6-2.3118.7
56A34.1Very low38.8Very low86 Ų86143.4 Ų143.471%0.71180%0.799SS**  cis-144.61711.900000113.2
57N43.6Very low38.3Very low145 Ų145146.8 Ų146.878%0.77581%0.805SS**  trans-78.7165.2-177.1-48.4-66.4000114.6
58H35.3Very low37.6Very low191 Ų191148.5 Ų148.588%0.88481%0.809SS**  -162.3177.6120.9-94.4-57.8000111.2
59T35.3Very low36.9Very low129 Ų129149.1 Ų149.179%0.79180%0.804SS**  trans-132.3145-146-31.40000114.4
60A31.2Very low36.3Very low99 Ų99148.7 Ų148.782%0.81880%0.803SS**  trans-171.8151.1143.500000114.9
61W30.4Very low36.4Very low255 Ų255151 Ų15197%0.96680%0.801SS**  trans-58.2163.5-174.3-101.8-80.3000121.3
62A31.3Very low36.5Very low87 Ų87152.1 Ų152.172%0.71980%0.796SS**  trans47.8130.7141.500000120.5
63D32.6Very low37Very low163 Ų163150.2 Ų150.287%0.87279%0.793SS**  cis95.8154.639.3-166.9-135.7000114.2
64E30.3Very low37.3Very low186 Ų186150.9 Ų150.987%0.86980%0.797SS**  trans69.4157.8-169.5-124.7-172.6140.400117.2
65A40.4Very low38.5Very low89 Ų89149.7 Ų149.774%0.73680%0.799SS**  trans-123.3148.7-154.400000113.8
66L34.8Very low39.6Very low173 Ų173143.8 Ų143.891%0.90679%0.792SS**  trans-157.5168.9152.1-113167.2000111.5
67R37.7Very low41.1Very low223 Ų223145.3 Ų145.384%0.84280%0.795SS**  trans-84.4141.2-173.1-44.2-164.275.91586.8111.5
68Q33.5Very low42.2Very low195 Ų195143.9 Ų143.991%0.91179%0.794SS**  -177.7171.1106.1-95.9-177.894.300112.1
69Q36.3Very low43.3Very low126 Ų126140.7 Ų140.759%0.58979%0.79SS**  trans-86.5161.6-176.5-157.3-151.36000111.4H72Q69-H72 PolarHBondContact NE2-NE2 3.01Å
70P38.4Very low44.1Very low105 Ų105140.5 Ų140.568%0.68279%0.794SS**  -140.8128.1119.533-18.5000115.6
71H33.1Very low45.5Very low161 Ų161143.6 Ų143.675%0.74580%0.796SS**  trans49.3120.9143.1-58.3-67.3000121.6
72H48.8Very low46.8Very low147 Ų147136.7 Ų136.768%0.68178%0.784SS**  trans-110.1154.7164.7-18-68.1000108.9Q69Q69-H72 PolarHBondContact NE2-NE2 3.01Å
73P54.7Low48.1Very low122 Ų122138.4 Ų138.479%0.79279%0.788SS**PPolyproline II helixtrans-67.3154.8175.429.2-35000112.1
74P49Very low48.5Very low131 Ų131136.3 Ų136.385%0.85179%0.786SS**PPolyproline II helixtrans-72.7141.1-174.329.4-35.3000113.2
75A61.5Low49Very low89 Ų89136.4 Ų136.474%0.73679%0.786SS**PPolyproline II helixtrans-80.1155.4173.200000112.1
76P60.6Low49.5Very low117 Ų117138.1 Ų138.176%0.7679%0.787SS**PPolyproline II helixtrans-67154173.929.1-35.8000112.3
77P63.5Low49.8Very low119 Ų119136.2 Ų136.277%0.77379%0.785SS**PPolyproline II helixtrans-71.3147.8-178.629.7-35.4000112.6
78P67.6Low50.1Low115 Ų115133.2 Ų133.275%0.74778%0.784SS**PPolyproline II helixtrans-74159175.932.1-36000112.4
79P57.9Low50.2Low124 Ų124128.1 Ų128.181%0.80578%0.775SS**PPolyproline II helixtrans-68.1148.2174.729.5-35.4000112.5
80S52.6Low50.3Low124 Ų124128.6 Ų128.687%0.86779%0.787SS**PPolyproline II helixtrans-64.9130.2-178.1-44.70000112.9
81L59.8Low50.4Low165 Ų165130.6 Ų130.686%0.86479%0.79SS**PPolyproline II helixtrans-76149.4169.8-69.1170.5000111.5
82P58.6Low50.7Low110 Ų110128.3 Ų128.371%0.71479%0.789SS**PPolyproline II helixtrans-69.7150.717230.5-35000111.5
83P57.7Low50.3Low123 Ų123129.3 Ų129.380%0.79980%0.796SS**PPolyproline II helixtrans-69.4136.518028.4-34.4000112
84S41.7Very low49.7Very low119 Ų119128.9 Ų128.983%0.83279%0.791SS**PPolyproline II helixtrans-68.1140.1177.3-168.40000111.9
85Q41.9Very low49.4Very low187 Ų187128.6 Ų128.687%0.87479%0.789SS**PPolyproline II helixtrans-82.4140.4174.4-67.2-179.2-16.700110.8
86V49.9Very low48.6Very low126 Ų126130.6 Ų130.676%0.76479%0.792SS**  trans-105.9139.4169.6-72.90000110.3
87P40.7Very low47.5Very low133 Ų133131.6 Ų131.686%0.86480%0.796SS**PPolyproline II helixtrans-74.5131.5-176.629.7-34.4000111.5
88I43.8Very low46.1Very low159 Ų159133.3 Ų133.382%0.81580%0.799SS**PPolyproline II helixtrans-93.3129.5172.9-64.3175000108.7
89A37.3Very low44.4Very low88 Ų88131.7 Ų131.773%0.72780%0.795SS**PPolyproline II helixtrans-72.5141.4-179.600000112.3
90V37.9Very low43.3Very low137 Ų137132.6 Ų132.683%0.8380%0.798SS**PPolyproline II helixtrans-81.7125.2179.3179.30000110.4
91I40.7Very low42.6Very low147 Ų147132.7 Ų132.775%0.75480%0.796SS**  trans-112.7118169.9-59.4178.1000108.1
92P39.1Very low41.1Very low112 Ų112130.2 Ų130.273%0.72779%0.792SS**PPolyproline II helixtrans-71.6130.3177.7-17.231.2000111.9
93M40.6Very low39.9Very low168 Ų168131 Ų13183%0.82880%0.795SS**PPolyproline II helixtrans-103.7122.3166.2-80-96.465.700109.9
94V41.6Very low39.4Very low114 Ų114130.4 Ų130.469%0.69179%0.791SS**PPolyproline II helixtrans-76139.6176-79.80000111.5
95P42.3Very low39.9Very low124 Ų124129.5 Ų129.581%0.80578%0.782SS**PPolyproline II helixtrans-77.4122.8174.930.9-32.7000110.8
96V44.3Very low39.4Very low132 Ų132128.1 Ų128.180%0.878%0.78SS**  trans-104120.7171.3174.50000109.5
97V38.8Very low39.5Very low138 Ų138127.3 Ų127.384%0.83678%0.777SS**  trans-97.7135169.4-175.70000108.2
98N33.8Very low39.1Very low155 Ų155127.9 Ų127.983%0.82977%0.773SS**  trans-152.4155152.5-153.43000112.2
99A30.9Very low38.7Very low81 Ų81125.9 Ų125.967%0.66977%0.768SS**  trans-104.2166.1-175.100000113.1
100T36.3Very low38.7Very low143 Ų143127.6 Ų127.688%0.87777%0.769SS**  trans-81.5139.8175.431.60000113.5
101P37.9Very low39.3Very low126 Ų126126.4 Ų126.482%0.81877%0.765SS**  trans-121.6-173.7146.337.2-26.7000111.6
102S28.3Very low38.8Very low112 Ų112126.7 Ų126.778%0.78377%0.766SS**  trans-153.9172.1-167.3-165.80000114.4
103V32.6Very low38.6Very low127 Ų127125.6 Ų125.677%0.7777%0.766SS**  trans79.4175.8163.5-124.10000118.4
104P46.8Very low38.2Very low111 Ų111121.9 Ų121.972%0.72176%0.762SS**  -126.2-142-114.648.7-29.7000113.1
105P52.8Low37.9Very low100 Ų100121.2 Ų121.265%0.64977%0.769SS**  cis-140.7165.5-17.538.8-19.5000119.1
106L30.6Very low37.5Very low158 Ų158119.5 Ų119.583%0.82777%0.765SS**  trans63176.3146.7-99.178.8000119.8
107P52.3Low36.8Very low108 Ų108119.6 Ų119.670%0.70177%0.766SS**  cis-99.4-168.6-1.143.7-36.1000112.5
108L31.8Very low36.2Very low146 Ų146117.4 Ų117.476%0.76476%0.757SS**  cis-140.7-159.54-160.232.5000106.9
109T35.1Very low35.9Very low117 Ų117118 Ų11872%0.71876%0.76SS**  cis-157.2-171.912.8-40.10000110.5
110T37.8Very low36Very low123 Ų123119.7 Ų119.776%0.75577%0.766SS**  trans-110.5172.3-18047.50000112.3
111P50Low35.7Very low113 Ų113118.1 Ų118.173%0.73476%0.761SS**  cis-126.9-172.18.841.5-23.5000113
112I30.9Very low35.9Very low153 Ų153117.8 Ų117.879%0.78576%0.759SS**  cis-149.2134-6-127.3160.3000105.8
113A34.2Very low35.9Very low89 Ų89120 Ų12074%0.73676%0.761SS**  58.6135.388.900000116.2
114A33.9Very low36.6Very low89 Ų89119.2 Ų119.274%0.73676%0.759SS**  cis-150.4142.9-2.300000109.4
115A33.8Very low36.9Very low101 Ų101118.9 Ų118.984%0.83576%0.756SS**  65.9143.994.800000115.1
116A33.6Very low35.8Very low88 Ų88122.8 Ų122.873%0.72776%0.763SS**  cis-156-178.2-14.200000106.1
117T29.6Very low35.9Very low133 Ų133122.6 Ų122.682%0.81676%0.756SS**  cis-162.1-171.333.745.50000108.2
118S27.9Very low34.7Very low93 Ų93125.1 Ų125.165%0.6576%0.758SS**  cis-176.9167.1-48.7-74.20000107.3
119L27.9Very low34.6Very low168 Ų168121.4 Ų121.488%0.8876%0.755SS**  trans75.1145.8175.8-42.9172.8000114.1
120S31.6Very low34.2Very low115 Ų115122 Ų12280%0.80476%0.759SS**  cis-141.516015.8-61.10000113.8
121S30.1Very low33.8Very low111 Ų111121 Ų12178%0.77676%0.757SS**  trans-92.4-169.7169.8-27.70000111.3
122P42.5Very low32.7Very low118 Ų118120.6 Ų120.677%0.76676%0.756SS**  cis-135.3162-24.331.8-11.3000115.8
123L28Very low32.5Very low160 Ų160120.1 Ų120.184%0.83876%0.761SS**  18.1149121.3-154.862.1000120
124P48.6Very low32.5Very low110 Ų110119.8 Ų119.871%0.71476%0.758SS**  cis-128.3-113.2-925.92.4000117
125P51.2Low33.3Very low104 Ų104121.2 Ų121.268%0.67576%0.76SS**  -141.3-163.7-117.348-27.6000118.2
126K30.6Very low34.4Very low181 Ų181121.6 Ų121.679%0.78775%0.754SS**  trans92.6133144.3-95.5-178176.4176.60121.8
127K32.4Very low35.4Very low155 Ų155121.9 Ų121.967%0.67475%0.748SS**  trans69.7127.8143.9-78.2-174.6159.3-93.70121.4
128E28.4Very low35.4Very low161 Ų161123.7 Ų123.775%0.75275%0.747SS**  trans33.4125.9134.9-63.8154.2126.300120.5
129G28.6Very low35.7Very low68 Ų68126.2 Ų126.270%0.70175%0.749SS**  trans-175.191.1168.900000115.2
130T27.3Very low35.9Very low130 Ų130125.4 Ų125.480%0.79874%0.741SS**  trans25.7112.9139.254.80000121.1
131S28.2Very low36Very low102 Ų102127.7 Ų127.771%0.71374%0.739SS**  62.4143.3123.474.10000123.8
132S27.4Very low36Very low103 Ų103128.1 Ų128.172%0.7274%0.742SS**  trans92.4149.3140.3-630000121.5
133T27.2Very low35.4Very low143 Ų143128.7 Ų128.788%0.87774%0.743SS**  trans73108.1157.819.80000120.2
134A34.3Very low35.5Very low82 Ų82125.5 Ų125.568%0.67873%0.734SS**  trans-70.7-169.9139.400000109.3
135P50.2Low34.7Very low119 Ų119127.7 Ų127.777%0.77373%0.734SS**  cis-130-110.610.825.63000117.5
136P57.5Low33.6Very low109 Ų109130 Ų13071%0.70874%0.736SS**  -130-144.6-121.246.9-27.2000112
137P53.8Low33.6Very low95 Ų95128.4 Ų128.462%0.61774%0.735SS**  cis-135-171.6-19.741.5-23.8000115.4
138Q30.8Very low33.5Very low170 Ų170128.3 Ų128.379%0.79474%0.741SS**  trans67.8162.2153.2-78.4171-11.400118.3
139Q32.5Very low33.6Very low146 Ų146125.6 Ų125.668%0.68274%0.739SS**  cis-148.4132.8-2-126.1-178.7-40.500108.2
140Q33.8Very low34.2Very low151 Ų151128.4 Ų128.471%0.70674%0.744SS**  92147.897.9-173167.7-4.700118.3
141Q32.6Very low34.2Very low164 Ų164126.8 Ų126.877%0.76674%0.738SS**  trans-60.7158.6-166.7-55.5144.3-42.700116.3
142S29.7Very low34.3Very low120 Ų120130 Ų13084%0.83974%0.742SS**  -179.9164.591.6450000117.1
143V29.7Very low34.5Very low129 Ų129133.5 Ų133.578%0.78275%0.751SS**  trans-55.5140.3-168.2-83.90000124.4
144S31.6Very low34.5Very low94 Ų94135.2 Ų135.266%0.65775%0.746SS**  83.7151123.7-62.70000126.5
145H31.8Very low34.1Very low155 Ų155140.1 Ų140.172%0.71876%0.757SS**  trans112.1112.7144.6-65.7-69000123.2
146H28.3Very low33Very low154 Ų154141.6 Ų141.671%0.71375%0.754SS**  trans74.6130.8131.8-68.4-51.5000127.3
147L29.5Very low32.6Very low147 Ų147142.2 Ų142.277%0.7776%0.758SS**  trans86.9112.6132.7-73.9167.1000125
148L30.6Very low31.6Very low153 Ų153141.1 Ų141.180%0.80176%0.757SS**  trans25.3126.4134.2-68.3173.1000124.5
149C29.4Very low31.6Very low104 Ų104141 Ų14170%0.70376%0.757SS**  trans68.4147.5139.2-139.80000119.2
150P42.3Very low31.5Very low126 Ų126141.1 Ų141.182%0.81876%0.757SS**  -141-170.588.340.7-26000114.7
151S28Very low31.3Very low96 Ų96139.8 Ų139.867%0.67175%0.754SS**  trans-136.9175.3-175-64.10000112.3
152Q30.1Very low31.2Very low171 Ų171139.3 Ų139.380%0.79976%0.755SS**  trans78.1129.3165.9-57.5-72.5-7.400118.4
153I30.6Very low31.2Very low176 Ų176140.1 Ų140.190%0.90375%0.75SS**  -166.7157.6117.9-99.2160.9000109.6
154K26.6Very low31.2Very low178 Ų178140.3 Ų140.377%0.77475%0.751SS**  trans-142.3132-167.3157.3-163.7167.3-175.40109.8
155M26.8Very low31.4Very low185 Ų185144.5 Ų144.591%0.91176%0.758SS**  trans-162.2154.7142-136.4154.1-74.300114.5
156E27.9Very low31.5Very low151 Ų151143.2 Ų143.271%0.70676%0.763SS**  trans-102.1170.5169.1-150.9-155.799.200107.9A158E156-A158 PolarHBondContact OE1-N 3.35Å
157P47.6Very low31.5Very low121 Ų121139.2 Ų139.279%0.78676%0.764SS**  -146.6153.17834.7-15000117.3
158A33.8Very low31.6Very low73 Ų73140.5 Ų140.560%0.60377%0.77SS**  trans1157.9152.900000121.7E156E156-A158 PolarHBondContact OE1-N 3.35Å
159Q30.9Very low31.4Very low167 Ų167142.2 Ų142.278%0.7878%0.775SS**  cis-132.8-146.617.8-53.4163.71600109.5
160Q29.6Very low31.4Very low149 Ų149145.9 Ų145.970%0.69678%0.781SS**  cis-167.5172.2-3.2-126.5-168.462.300105
161L29.9Very low31.3Very low123 Ų123145.2 Ų145.264%0.64478%0.777SS**  cis-165.8136-11.8-176.263.7000108.5
162I31Very low31.4Very low154 Ų154150 Ų15079%0.7979%0.788SS**  trans56.5141.5160-73.2169.2000118.5
163D28.7Very low31.3Very low137 Ų137149.7 Ų149.773%0.73379%0.789SS**  cis-167175.3-22.8-178.332.9000108.3
164V31.2Very low31.3Very low132 Ų132149.7 Ų149.780%0.879%0.785SS**  trans83.7145.7168.5-167.40000116.5
165K34.4Very low31.4Very low182 Ų182147.6 Ų147.679%0.79178%0.781SS**  trans-121.7150.3-159.8-163.4-177.2-177.7-179.70110.3
166P35.3Very low31.4Very low128 Ų128146.9 Ų146.983%0.83178%0.776SS**  -135.4168.3108.536.5-26.3000113.6
167G27.6Very low31.4Very low71 Ų71149.6 Ų149.673%0.73278%0.781SS**  trans-89.4167.6-179.800000114.1
168L30.5Very low30.3Very low173 Ų173150 Ų15091%0.90679%0.787SS**  trans-113.5133.1-175.5-172.883.2000110.9
169E28.1Very low30Very low190 Ų190151.2 Ų151.289%0.88880%0.797SS**  trans-139.1133.1163.4-73.2-159.3134.400111.3
170Q28.8Very low30Very low180 Ų180149.4 Ų149.484%0.84180%0.802SS**  trans-165.1118.9163.7-99.7-79.5-2.900107.2
171P39.1Very low30.2Very low112 Ų112150 Ų15073%0.72781%0.809SS**  trans-95.3147.3-176.135.4-33.5000113.4
172Q30.5Very low30.2Very low196 Ų196150 Ų15092%0.91682%0.819SS**  trans-105.9129.3171.7-171.31745.200110.6
173M29.2Very low30.3Very low165 Ų165149 Ų14981%0.81382%0.82SS**  trans-92.3142.8179.1-66.4-167.1-176.500112.7
174Q29Very low30.4Very low177 Ų177150.7 Ų150.783%0.82783%0.829SS**  trans-134.4120.5165.1179.7174.6-23.700108.8
175I30.6Very low30.4Very low134 Ų134147.8 Ų147.869%0.68783%0.826SS**  trans-106.8124.1-178.5-64.6171.9000109
176Q25.1Very low30.3Very low169 Ų169145.8 Ų145.879%0.7984%0.835SS**  trans-127.1128.4171.2-175.6164.9-13.600109.8
177Y27.8Very low30.2Very low209 Ų209143.3 Ų143.382%0.8283%0.832SS**  trans-76.5145.3-173-68.4-93.4000112.6
178S25.7Very low30.6Very low130 Ų130144.4 Ų144.491%0.90983%0.829SS**  trans-140132.1158.9-76.10000108.5
179A27.9Very low31.1Very low98 Ų98143.3 Ų143.381%0.8182%0.819SS**  trans-128.2128.3177.300000110.5
180S30.7Very low31.7Very low128 Ų128142.3 Ų142.390%0.89581%0.814SS**  trans-156.6145.9166.1-78.90000108.9
181I33.9Very low32.1Very low162 Ų162137.9 Ų137.983%0.83181%0.808SS**  trans-105.7139.9-166.6-54.5161.2000108.4
182S29.6Very low31.9Very low124 Ų124140.3 Ų140.387%0.86781%0.814SS**  trans-140.4140.4166.1-76.60000111.5
183T32.4Very low32.4Very low133 Ų133137.2 Ų137.282%0.81681%0.808SS**  trans-101.3151.7-178.748.10000111.8
184N31.9Very low33.3Very low171 Ų171134.3 Ų134.391%0.91480%0.802SS**  trans-56.8155.1171.5-76.1-7.8000112.8
185G30.7Very low33.7Very low71 Ų71134 Ų13473%0.73280%0.8SS**  trans159.362.5152.600000121
186S32.5Very low33.9Very low141 Ų141136.7 Ų136.799%0.98681%0.81SS**  trans68.5149.5158-157.20000119.1
187G32Very low34.7Very low75 Ų75133 Ų13377%0.77381%0.808SS**  trans141.989.9177.300000113.5
188S36.1Very low35.7Very low94 Ų94128.3 Ų128.366%0.65780%0.803SS**  trans-78.6150.2176.9173.50000112.2
189H40.8Very low36.6Very low150 Ų150128.1 Ų128.169%0.69480%0.799SS**  155.8125.6120.7-89-76.7000114.5
190H41.2Very low37.4Very low169 Ų169129.5 Ų129.578%0.78280%0.797SS**  trans52.9128.3166.1-51.9-71.8000118.8
191A37.1Very low38.3Very low87 Ų87129 Ų12972%0.71979%0.791SS**  cis102.512015.700000116.5
192L35.5Very low38.5Very low163 Ų163130.8 Ų130.885%0.85380%0.796SS**  trans87.5115.5159.5-56.3-177.6000122
193V40.2Very low39.1Very low132 Ų132130.2 Ų130.280%0.879%0.792SS**  trans85.3146.4132.4170.60000118.9
194P48.3Very low39.7Very low104 Ų104135.6 Ų135.668%0.67580%0.797SS**  trans-129.3-160.7-149.445.3-29.1000115.9
195H37.1Very low40.9Very low170 Ų170132.6 Ų132.679%0.78779%0.787SS**  trans79.6101.7161.7-98.986.8000119.3
196Q36Very low41.4Very low191 Ų191137.1 Ų137.189%0.89379%0.794SS**  -173.6172.198.6-101.9179.995.300112.7
197A40.4Very low42.3Very low91 Ų91134.1 Ų134.175%0.75279%0.786SS**  trans-118.8-161.7-175.800000111.5
198P49.5Very low42.9Very low110 Ų110137.1 Ų137.171%0.71479%0.789SS**  -101.5174.9-119.541.8-33.1000114.8
199P45Very low43.6Very low127 Ų127137.4 Ų137.483%0.82579%0.787SS**  trans-121.7144.6135.935.7-29.4000112.7
200T44Very low44.4Very low127 Ų127137.9 Ų137.978%0.77979%0.793SS**  trans-103.1-171.3167.758.40000109.5
201P49.4Very low45Very low116 Ų116137 Ų13775%0.75379%0.789SS**  -109.8155.3-95.635.9-22.8000112.9
202Q39.6Very low45.6Very low201 Ų201139 Ų13994%0.93979%0.788SS**  trans-129.4135.7162.8-73.2-160.3-40.200112
203S40.8Very low46.5Very low112 Ų112138.7 Ų138.778%0.78379%0.786SS**  trans-108.9143.5-178.349.40000110.7
204R45.2Very low47.1Very low246 Ų246142.7 Ų142.793%0.92879%0.787SS**  trans-160.5153.6148.2-108.9160.5-168.2-140.6-1.2110.3
205P57.5Low47.3Very low108 Ų108140.1 Ų140.170%0.70178%0.779SS**  trans-93.7162.6-169.637.8-35.2000112.4
206N41.2Very low48Very low165 Ų165140.2 Ų140.288%0.88278%0.782SS**  -163152.2123.7-95.5-23.2000109.7
207G51.3Low48.7Very low78 Ų78138 Ų13880%0.80477%0.772SS**  trans-78.9138-177.900000112.7
208V45.2Very low49.4Very low138 Ų138137 Ų13784%0.83677%0.77SS**  trans-122.4144.7161176.70000107.2
209T50Low49.6Very low101 Ų101141.2 Ų141.262%0.6278%0.778SS**  trans-71.5156.2-167.3510000113.5E211T209-E211 PolarHBondContact O-N 3.22Å; T209-E211 VanDerWaalsContact O-N 3.13Å
210I58.4Low50.1Low160 Ų160146.2 Ų146.282%0.82178%0.78SS**THydrogen-bonded Turntrans-78.810.9-175.5-153.8167.4000113.7
211E54.2Low50.8Low150 Ų150151.1 Ų151.170%0.70178%0.784SS**THydrogen-bonded Turntrans-101.9-21.1-163.5-67.5175.7111.600114.3T209 L213T209-E211 PolarHBondContact O-N 3.22Å; T209-E211 VanDerWaalsContact O-N 3.13Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.28Å
212D49.8Very low51.2Low129 Ų129153 Ų15369%0.6980%0.796SS**G310 helixtrans-81.2-9.7-172.7-151.412.7000114.1R214 G215D212-R214 PolarHBondContact O-N 2.79Å; D212-G215 PolarHBondContact O-N 2.68Å; D212-G215 VanDerWaalsContact O-N 3.08Å
213L53.3Low52Low157 Ų157146.9 Ų146.982%0.82279%0.787SS**G310 helixtrans-68.65.4174.1-71.2175.1000114.2E211E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.28Å
214R53Low52.9Low215 Ų215143.7 Ų143.781%0.81177%0.772SS**G310 helixtrans-103.7-6.1172.7-164.6175.5-66.9-82.61.3113.2D212D212-R214 PolarHBondContact O-N 2.79Å
215G51.6Low53.8Low51 Ų51136.2 Ų136.253%0.52676%0.763SS.*SBendtrans-84.2-25.1-173.800000116D212 E217D212-G215 PolarHBondContact O-N 2.68Å; D212-G215 VanDerWaalsContact O-N 3.08Å; G215-E217 VanDerWaalsContact C-N 3.34Å; G215-E217 PolarHBondContact O-N 2.69Å
216M51.8Low54.2Low171 Ų171133 Ų13384%0.84275%0.75SS**G310 helixtrans-82.7-0.5-165.8-73.1178.363.300115.9G218M216-G218 PolarHBondContact O-N 2.9Å
217E52Low56Low144 Ų144130.4 Ų130.467%0.67374%0.74SS**G310 helixtrans-62.3-31.4176.8-41.8-54.9151.300112.5G215 K219G215-E217 VanDerWaalsContact C-N 3.34Å; G215-E217 PolarHBondContact O-N 2.69Å; E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.45Å
218G54.1Low57.8Low70 Ų70134.8 Ų134.872%0.72273%0.732SS**G310 helixtrans-71.81-160.600000117.9M216M216-G218 PolarHBondContact O-N 2.9Å
219K54Low60Low200 Ų200132.1 Ų132.187%0.8771%0.711SS**G310 helixtrans-111.67.2-177.1-117.464.3177.1-75.40115.2E217E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.45Å
220R56.3Low62Low232 Ų232131.5 Ų131.588%0.87571%0.706SS**SBendtrans-112.487.2179.1-64.9-117.2-64.7176.30.5112.4
221R57.7Low63.8Low229 Ų229129.4 Ų129.486%0.86469%0.693SS**  trans34.1111.4166.1-71.2-174.5175.3131.30.2116.8G223R221-G223 PolarHBondContact O-N 3.5Å
222P57.8Low65.8Low155 Ų155125.7 Ų125.7100%1.00668%0.678SS**THydrogen-bonded Turntrans-63.136.2178.4-25.236.3000118.8
223G56.9Low68Low73 Ų73127.2 Ų127.275%0.75368%0.678SS**THydrogen-bonded Turntrans-127.77.3-177.700000115.8R221R221-G223 PolarHBondContact O-N 3.5Å
224G59.8Low70.1Confident46 Ų46125 Ų12547%0.47467%0.667SS.*SBendtrans-107.1-20.4-176.800000116.4G226G224-G226 PolarHBondContact O-N 2.98Å
225A63.5Low72.2Confident88 Ų88116.7 Ų116.773%0.72764%0.637SS**THydrogen-bonded Turntrans-9430.9-163.900000115.1E229A225-E229 VanDerWaalsContact CA-OE2 3.24Å; A225-E229 WeakPolarHBondContact CA-OE2 3.4Å
226G65.9Low74.4Confident42 Ų42121.9 Ų121.943%0.43365%0.645SS.*THydrogen-bonded Turntrans-124.8-46.2165.500000110.9G224 R228 E229 V230G224-G226 PolarHBondContact O-N 2.98Å; G226-R228 PolarHBondContact O-N 3.33Å; G226-E229 PolarHBondContact N-OE2 3.06Å; G226-E229 PolarHBondContact O-N 3.09Å; G226-V230 WeakPolarHBondContact O-CG2 3.48Å; G226-V230 PolarHBondContact O-N 2.95Å; G226-V230 VanDerWaalsContact O-N 3.1Å
227T79.8Confident76.5Confident109 Ų109119 Ų11967%0.66963%0.633SS**Hα-helixtrans-64.4-39.3-179.6-40.70000112.6E229 H231T227-E229 VanDerWaalsContact C-N 3.34Å; T227-H231 WeakPolarHBondContact O-CB 3.49Å; T227-H231 PolarHBondContact O-N 3.35Å
228R89.1Confident78.7Confident171 Ų171118.1 Ų118.165%0.64562%0.624SS**Hα-helixtrans-66.9-37.2-179.6179.2-171.4-171.2-149.17.2111.6G226 N232G226-R228 PolarHBondContact O-N 3.33Å; R228-N232 VanDerWaalsContact O-CB 3.3Å; R228-N232 WeakPolarHBondContact O-CB 3.42Å; R228-N232 PolarHBondContact O-N 3.26Å; R228-N232 PolarHBondContact O-ND2 3.35Å
229E90.8Very high80.8Confident82 Ų82122.3 Ų122.338%0.38362%0.618SS.*Hα-helixtrans-75.8-42.6-176.6-70.555.8-125.800110.4A225 G226 T227 N232 K233A225-E229 VanDerWaalsContact CA-OE2 3.24Å; A225-E229 WeakPolarHBondContact CA-OE2 3.4Å; G226-E229 PolarHBondContact N-OE2 3.06Å; G226-E229 PolarHBondContact O-N 3.09Å; T227-E229 VanDerWaalsContact C-N 3.34Å; E229-N232 PolarHBondContact O-N 2.86Å; E229-K233 PolarHBondContact O-N 3.31Å
230V93.3Very high82.9Confident87 Ų87115.7 Ų115.753%0.52760%0.6SS.*Hα-helixtrans-61.9-48169.8172.10000110.9G226 N232 K233 L234G226-V230 WeakPolarHBondContact O-CG2 3.48Å; G226-V230 PolarHBondContact O-N 2.95Å; G226-V230 VanDerWaalsContact O-N 3.1Å; V230-N232 VanDerWaalsContact C-N 3.34Å; V230-N232 PolarHBondContact O-N 3.4Å; V230-K233 WeakPolarHBondContact O-CB 3.41Å; V230-K233 PolarHBondContact O-N 2.96Å; V230-K233 VanDerWaalsContact O-N 3.1Å; V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 HydrophobicContact CG1-CG 4.36Å; V230-L234 WeakPolarHBondContact O-CG 3.32Å; V230-L234 PolarHBondContact O-N 3.5Å
231H95.4Very high84.9Confident117 Ų117110 Ų11054%0.54258%0.583SS.*Hα-helixtrans-56.2-46.5175.4174.3-87.9000111.9T227 K233 L234 E235T227-H231 WeakPolarHBondContact O-CB 3.49Å; T227-H231 PolarHBondContact O-N 3.35Å; H231-K233 VanDerWaalsContact C-N 3.32Å; H231-K233 PolarHBondContact O-N 2.95Å; H231-L234 PolarHBondContact O-N 2.92Å; H231-E235 WeakPolarHBondContact O-CB 3.35Å; H231-E235 PolarHBondContact O-N 2.8Å
232N95.8Very high86.8Confident72 Ų72102.6 Ų102.639%0.38556%0.561SS.*Hα-helixtrans-63.3-34.6176.6-76.3-24.4000112.9R228 E229 V230 K236R228-N232 VanDerWaalsContact O-CB 3.3Å; R228-N232 WeakPolarHBondContact O-CB 3.42Å; R228-N232 PolarHBondContact O-N 3.26Å; R228-N232 PolarHBondContact O-ND2 3.35Å; E229-N232 PolarHBondContact O-N 2.86Å; V230-N232 VanDerWaalsContact C-N 3.34Å; V230-N232 PolarHBondContact O-N 3.4Å; N232-K236 WeakPolarHBondContact O-CB 3.22Å; N232-K236 VanDerWaalsContact O-CG 3.23Å; N232-K236 WeakPolarHBondContact O-CG 3.46Å; N232-K236 PolarHBondContact O-N 3.03Å; N232-K236 VanDerWaalsContact O-N 3.09Å
233K96.3Very high88.6Confident160 Ų160101.5 Ų101.570%0.69654%0.54SS*.Hα-helixtrans-68.9-44.5174.8-170.8179.7179.8-176.40111.4E229 V230 H231 K236 N237E229-K233 PolarHBondContact O-N 3.31Å; V230-K233 WeakPolarHBondContact O-CB 3.41Å; V230-K233 PolarHBondContact O-N 2.96Å; V230-K233 VanDerWaalsContact O-N 3.1Å; H231-K233 VanDerWaalsContact C-N 3.32Å; H231-K233 PolarHBondContact O-N 2.95Å; K233-K236 PolarHBondContact O-N 3.37Å; K233-N237 WeakPolarHBondContact O-CB 3.35Å; K233-N237 PolarHBondContact O-N 3.37Å
234L96.3Very high90.6Very high111 Ų111103.9 Ų103.958%0.58153%0.532SS*.Hα-helixtrans-64.5-45.2177.2-68.2173.4000111.8V230 H231 K236 N237 R238V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 HydrophobicContact CG1-CG 4.36Å; V230-L234 WeakPolarHBondContact O-CG 3.32Å; V230-L234 PolarHBondContact O-N 3.5Å; H231-L234 PolarHBondContact O-N 2.92Å; L234-K236 PolarHBondContact O-N 3.02Å; L234-N237 PolarHBondContact O-N 3.12Å; L234-R238 WeakPolarHBondContact O-CB 3.23Å; L234-R238 PolarHBondContact O-N 2.96Å
235E97.4Very high92.4Very high40 Ų40104.3 Ų104.319%0.18753%0.527CS..Hα-helixtrans-66.9-35177.8175.859.8-176.600112.3H231 R238 R239H231-E235 WeakPolarHBondContact O-CB 3.35Å; H231-E235 PolarHBondContact O-N 2.8Å; E235-R238 VanDerWaalsContact CD-NH2 3.3Å; E235-R238 IonicContact OE1-CZ 3.01Å; E235-R238 IonicContact OE1-NH2 2.69Å; E235-R238 PolarHBondContact OE1-NH2 2.86Å; E235-R238 IonicContact OE2-CZ 3.31Å; E235-R238 VanDerWaalsContact OE2-CZ 3.26Å; E235-R238 IonicContact OE2-NE 3.17Å; E235-R238 PolarHBondContact OE2-NE 3.35Å; E235-R238 IonicContact OE2-NH2 2.84Å; E235-R238 PolarHBondContact OE2-NH2 2.93Å; E235-R239 WeakPolarHBondContact O-CB 3.36Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.47Å; E235-R239 PolarHBondContact O-N 2.96Å; E235-R239 IonicContact OE1-CZ 3.16Å; E235-R239 IonicContact OE1-NE 2.72Å; E235-R239 PolarHBondContact OE1-NE 3.47Å; E235-R239 IonicContact OE1-NH2 2.75Å; E235-R239 PolarHBondContact OE1-NH2 3.15Å
236K97.5Very high93.9Very high160 Ų160101.8 Ų101.870%0.69650%0.499SS*.Hα-helixtrans-63-45170.1-79.1175.7179.8-176.70111.8N232 K233 L234 R239 A240N232-K236 WeakPolarHBondContact O-CB 3.22Å; N232-K236 VanDerWaalsContact O-CG 3.23Å; N232-K236 WeakPolarHBondContact O-CG 3.46Å; N232-K236 PolarHBondContact O-N 3.03Å; N232-K236 VanDerWaalsContact O-N 3.09Å; K233-K236 PolarHBondContact O-N 3.37Å; L234-K236 PolarHBondContact O-N 3.02Å; K236-R239 PolarHBondContact O-N 3.25Å; K236-A240 PolarHBondContact O-N 3.47Å
237N97.8Very high95.3Very high111 Ų111103.5 Ų103.559%0.59450%0.496SS*.Hα-helixtrans-64.2-45.1177.1173.4-99.6000111.9K233 L234 R239 A240 H241K233-N237 WeakPolarHBondContact O-CB 3.35Å; K233-N237 PolarHBondContact O-N 3.37Å; L234-N237 PolarHBondContact O-N 3.12Å; N237-R239 VanDerWaalsContact C-N 3.31Å; N237-R239 PolarHBondContact O-N 3.3Å; N237-A240 WeakPolarHBondContact O-CB 3.28Å; N237-A240 PolarHBondContact O-N 3.3Å; N237-A240 VanDerWaalsContact O-N 3.08Å; N237-H241 PolarHBondContact O-N 3.08Å
238R98.3Very high96.1Very high126 Ų126101.6 Ų101.648%0.47548%0.484SS..Hα-helixtrans-58.5-40.1174.8-166.7-167.86782.12.7112.2L234 E235 L242L234-R238 WeakPolarHBondContact O-CB 3.23Å; L234-R238 PolarHBondContact O-N 2.96Å; E235-R238 VanDerWaalsContact CD-NH2 3.3Å; E235-R238 IonicContact OE1-CZ 3.01Å; E235-R238 IonicContact OE1-NH2 2.69Å; E235-R238 PolarHBondContact OE1-NH2 2.86Å; E235-R238 IonicContact OE2-CZ 3.31Å; E235-R238 VanDerWaalsContact OE2-CZ 3.26Å; E235-R238 IonicContact OE2-NE 3.17Å; E235-R238 PolarHBondContact OE2-NE 3.35Å; E235-R238 IonicContact OE2-NH2 2.84Å; E235-R238 PolarHBondContact OE2-NH2 2.93Å; R238-L242 VanDerWaalsContact O-CB 3.27Å; R238-L242 WeakPolarHBondContact O-CB 3.39Å; R238-L242 PolarHBondContact O-N 3.35Å
239R98Very high96.4Very high158 Ų15896.2 Ų96.260%0.59647%0.468SS*.Hα-helixtrans-67.6-36.4174.3-73.6175.1-168.3-171.26.8112.8E235 K236 N237 K243E235-R239 WeakPolarHBondContact O-CB 3.36Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.47Å; E235-R239 PolarHBondContact O-N 2.96Å; E235-R239 IonicContact OE1-CZ 3.16Å; E235-R239 IonicContact OE1-NE 2.72Å; E235-R239 PolarHBondContact OE1-NE 3.47Å; E235-R239 IonicContact OE1-NH2 2.75Å; E235-R239 PolarHBondContact OE1-NH2 3.15Å; K236-R239 PolarHBondContact O-N 3.25Å; N237-R239 VanDerWaalsContact C-N 3.31Å; N237-R239 PolarHBondContact O-N 3.3Å; R239-K243 PolarHBondContact O-N 3.32Å
240A98Very high96.6Very high60 Ų6093.7 Ų93.750%0.49646%0.456SS..Hα-helixtrans-65-50.7175.200000111.3K236 N237 L242 K243 E244K236-A240 PolarHBondContact O-N 3.47Å; N237-A240 WeakPolarHBondContact O-CB 3.28Å; N237-A240 PolarHBondContact O-N 3.3Å; N237-A240 VanDerWaalsContact O-N 3.08Å; A240-L242 PolarHBondContact O-N 3.01Å; A240-K243 WeakPolarHBondContact O-CB 3.39Å; A240-K243 PolarHBondContact O-N 3.48Å; A240-K243 VanDerWaalsContact O-N 3.13Å; A240-E244 PolarHBondContact O-N 3.23Å
241H98.1Very high96.6Very high112 Ų11297.9 Ų97.952%0.51947%0.467SS..Hα-helixtrans-59.9-44.1175.4-180-104.8000111.9N237 K243 E244 C245N237-H241 PolarHBondContact O-N 3.08Å; H241-K243 VanDerWaalsContact C-N 3.27Å; H241-K243 PolarHBondContact O-N 3.4Å; H241-E244 WeakPolarHBondContact O-CB 3.45Å; H241-E244 PolarHBondContact O-N 2.55Å; H241-E244 VanDerWaalsContact O-N 3.09Å; H241-C245 VanDerWaalsContact CE1-SG 3.56Å; H241-C245 PolarHBondContact O-N 3.18Å; H241-C245 PolarHBondContact O-SG 2.74Å
242L97.7Very high96.6Very high75 Ų7597.5 Ų97.539%0.39347%0.469SS..Hα-helixtrans-61.2-35.8176.1-177.860.2000112.3R238 A240 C245 F246R238-L242 VanDerWaalsContact O-CB 3.27Å; R238-L242 WeakPolarHBondContact O-CB 3.39Å; R238-L242 PolarHBondContact O-N 3.35Å; A240-L242 PolarHBondContact O-N 3.01Å; L242-C245 PolarHBondContact O-N 2.88Å; L242-F246 HydrophobicContact CD1-CD2 4.22Å; L242-F246 HydrophobicContact CD1-CE2 3.86Å; L242-F246 HydrophobicContact CG-CD2 4.15Å; L242-F246 HydrophobicContact CG-CE2 3.96Å; L242-F246 WeakPolarHBondContact O-CD2 3.5Å; L242-F246 PolarHBondContact O-N 2.83Å; L242-F246 VanDerWaalsContact O-N 3.13Å
243K96Very high96.6Very high132 Ų13294.7 Ų94.757%0.57445%0.454SS*.Hα-helixtrans-64.9-44.5173-168.9-169.4175-164.10111R239 A240 H241 C245 F246 E247R239-K243 PolarHBondContact O-N 3.32Å; A240-K243 WeakPolarHBondContact O-CB 3.39Å; A240-K243 PolarHBondContact O-N 3.48Å; A240-K243 VanDerWaalsContact O-N 3.13Å; H241-K243 VanDerWaalsContact C-N 3.27Å; H241-K243 PolarHBondContact O-N 3.4Å; K243-C245 VanDerWaalsContact C-N 3.33Å; K243-C245 PolarHBondContact O-N 3.41Å; K243-F246 WeakPolarHBondContact O-CA 3.38Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 2.73Å; K243-E247 WeakPolarHBondContact CE-OE1 3.35Å; K243-E247 WeakPolarHBondContact O-CG 3.32Å; K243-E247 PolarHBondContact O-N 2.91Å
244E97.1Very high96.4Very high123 Ų12390.1 Ų90.158%0.57544%0.441SS*.Hα-helixtrans-59.2-40.8175.4-180172.7-150.500112.3A240 H241 F246 E247 T248A240-E244 PolarHBondContact O-N 3.23Å; H241-E244 WeakPolarHBondContact O-CB 3.45Å; H241-E244 PolarHBondContact O-N 2.55Å; H241-E244 VanDerWaalsContact O-N 3.09Å; E244-F246 VanDerWaalsContact C-N 3.32Å; E244-F246 PolarHBondContact O-N 3.01Å; E244-E247 PolarHBondContact O-N 2.93Å; E244-T248 VanDerWaalsContact O-CB 3.29Å; E244-T248 WeakPolarHBondContact O-CB 3.41Å; E244-T248 PolarHBondContact O-N 3.31Å; E244-T248 PolarHBondContact O-OG1 2.9Å
245C97.6Very high95.7Very high54 Ų5493 Ų9337%0.36546%0.457SS..Hα-helixtrans-58.6-41.4170.4-57.30000112.2H241 L242 K243 T248 L249H241-C245 VanDerWaalsContact CE1-SG 3.56Å; H241-C245 PolarHBondContact O-N 3.18Å; H241-C245 PolarHBondContact O-SG 2.74Å; L242-C245 PolarHBondContact O-N 2.88Å; K243-C245 VanDerWaalsContact C-N 3.33Å; K243-C245 PolarHBondContact O-N 3.41Å; C245-T248 PolarHBondContact O-N 3.3Å; C245-L249 WeakPolarHBondContact O-CB 3.5Å; C245-L249 PolarHBondContact O-N 3.01Å
246F96.2Very high95Very high36 Ų3692.1 Ų92.116%0.15845%0.454CS..Hα-helixtrans-68.5-42.4177.6-86.1-65.8000113.4L242 K243 E244 T248 L249 K250 N263 V266 L267L242-F246 HydrophobicContact CD1-CD2 4.22Å; L242-F246 HydrophobicContact CD1-CE2 3.86Å; L242-F246 HydrophobicContact CG-CD2 4.15Å; L242-F246 HydrophobicContact CG-CE2 3.96Å; L242-F246 WeakPolarHBondContact O-CD2 3.5Å; L242-F246 PolarHBondContact O-N 2.83Å; L242-F246 VanDerWaalsContact O-N 3.13Å; K243-F246 WeakPolarHBondContact O-CA 3.38Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 2.73Å; E244-F246 VanDerWaalsContact C-N 3.32Å; E244-F246 PolarHBondContact O-N 3.01Å; F246-T248 VanDerWaalsContact C-N 3.32Å; F246-L249 PolarHBondContact O-N 3.48Å; F246-K250 VanDerWaalsContact O-CB 3.3Å; F246-K250 WeakPolarHBondContact O-CB 3.26Å; F246-K250 PolarHBondContact O-N 3.38Å; F246-N263 HydrophobicContact CD1-CB 4.2Å; F246-N263 HydrophobicContact CE1-CB 3.85Å; F246-N263 HydrophobicContact CE2-CB 4.31Å; F246-N263 WeakPolarHBondContact CE2-ND2 3.36Å; F246-N263 HydrophobicContact CZ-CB 3.91Å; F246-V266 HydrophobicContact CD1-CB 4.5Å; F246-V266 HydrophobicContact CD1-CG1 4.39Å; F246-L267 HydrophobicContact CE1-CD1 4.2Å; F246-L267 HydrophobicContact CE1-CD2 3.94Å; F246-L267 HydrophobicContact CE1-CG 3.89Å; F246-L267 HydrophobicContact CZ-CD1 4.38Å
247E94.6Very high94.1Very high77 Ų7789.4 Ų89.436%0.3645%0.447SS..Hα-helixtrans-66.7-35.3175.4-59.2-62.6171.800111.3K243 E244 K250 K251K243-E247 WeakPolarHBondContact CE-OE1 3.35Å; K243-E247 WeakPolarHBondContact O-CG 3.32Å; K243-E247 PolarHBondContact O-N 2.91Å; E244-E247 PolarHBondContact O-N 2.93Å; E247-K250 PolarHBondContact O-N 2.95Å; E247-K251 WeakPolarHBondContact O-CG 3.43Å; E247-K251 PolarHBondContact O-N 3.01Å; E247-K251 VanDerWaalsContact O-N 3.13Å
248T96.4Very high93.1Very high69 Ų6992.6 Ų92.642%0.42346%0.459SS..Hα-helixtrans-68.2-45.1175.4-57.10000111.2E244 C245 F246 K250 K251 N252E244-T248 VanDerWaalsContact O-CB 3.29Å; E244-T248 WeakPolarHBondContact O-CB 3.41Å; E244-T248 PolarHBondContact O-N 3.31Å; E244-T248 PolarHBondContact O-OG1 2.9Å; C245-T248 PolarHBondContact O-N 3.3Å; F246-T248 VanDerWaalsContact C-N 3.32Å; T248-K250 VanDerWaalsContact C-N 3.35Å; T248-K250 PolarHBondContact O-N 3.01Å; T248-K251 PolarHBondContact O-N 3.11Å; T248-N252 PolarHBondContact O-N 2.82Å; T248-N252 PolarHBondContact O-ND2 3.11Å
249L96.3Very high92.1Very high59 Ų5994.3 Ų94.331%0.30947%0.47SS..Hα-helixtrans-60.4-44.4173.8-179.959.7000111.2C245 F246 K251 N252 V253 V266 L267 A270C245-L249 WeakPolarHBondContact O-CB 3.5Å; C245-L249 PolarHBondContact O-N 3.01Å; F246-L249 PolarHBondContact O-N 3.48Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.48Å; L249-N252 PolarHBondContact O-N 3.02Å; L249-V253 HydrophobicContact CD1-CG2 4.47Å; L249-V253 WeakPolarHBondContact O-CG2 3.49Å; L249-V253 PolarHBondContact O-N 3.34Å; L249-V266 HydrophobicContact CB-CG1 4.29Å; L249-V266 HydrophobicContact CD2-CG1 3.93Å; L249-V266 HydrophobicContact CG-CG1 3.9Å; L249-L267 HydrophobicContact CD2-CD2 4.1Å; L249-A270 HydrophobicContact CD1-CB 3.9Å; L249-A270 HydrophobicContact CD2-CB 4.22Å; L249-A270 HydrophobicContact CG-CB 4.23Å
250K94.9Very high91.1Very high29 Ų2997.3 Ų97.313%0.12649%0.487CS..Hα-helixtrans-55.3-44.7176.7171.6172.3170.7175.80112.5F246 E247 T248 N252 V253 V256 D257 E258 T261 V266F246-K250 VanDerWaalsContact O-CB 3.3Å; F246-K250 WeakPolarHBondContact O-CB 3.26Å; F246-K250 PolarHBondContact O-N 3.38Å; E247-K250 PolarHBondContact O-N 2.95Å; T248-K250 VanDerWaalsContact C-N 3.35Å; T248-K250 PolarHBondContact O-N 3.01Å; K250-N252 PolarHBondContact O-N 2.86Å; K250-V253 PolarHBondContact O-N 2.89Å; K250-V256 HydrophobicContact CD-CG1 4.27Å; K250-V256 HydrophobicContact CG-CB 4.4Å; K250-V256 HydrophobicContact CG-CG1 3.87Å; K250-D257 WeakPolarHBondContact CE-O 3.32Å; K250-D257 PolarHBondContact NZ-O 3.5Å; K250-D257 VanDerWaalsContact NZ-O 3.1Å; K250-E258 PolarHBondContact NZ-O 2.8Å; K250-T261 WeakPolarHBondContact CE-OG1 3.08Å; K250-T261 PolarHBondContact NZ-OG1 3.31Å; K250-V266 HydrophobicContact CB-CG1 4.24Å; K250-V266 HydrophobicContact CB-CG2 4.38Å
251K94.3Very high90.6Very high175 Ų17596.2 Ų96.276%0.76147%0.474SS*.Hα-helixtrans-62.7-24.2176.2-70.4169.9-178.1-179.70114.1E247 T248 L249E247-K251 WeakPolarHBondContact O-CG 3.43Å; E247-K251 PolarHBondContact O-N 3.01Å; E247-K251 VanDerWaalsContact O-N 3.13Å; T248-K251 PolarHBondContact O-N 3.11Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.48Å
252N95.3Very high90.4Very high109 Ų10994.2 Ų94.258%0.58347%0.473SS*.THydrogen-bonded Turntrans-90.2-1.2179.6-77.4-92.7000113.5T248 L249 K250 Y273T248-N252 PolarHBondContact O-N 2.82Å; T248-N252 PolarHBondContact O-ND2 3.11Å; L249-N252 PolarHBondContact O-N 3.02Å; K250-N252 PolarHBondContact O-N 2.86Å; N252-Y273 WeakPolarHBondContact O-CE1 3.45Å
253V94.6Very high90.2Very high12 Ų1294.9 Ų94.97%0.07348%0.477CS..SBendtrans-114.2116.3-179.5-175.50000109.8L249 K250 V256 A270L249-V253 HydrophobicContact CD1-CG2 4.47Å; L249-V253 WeakPolarHBondContact O-CG2 3.49Å; L249-V253 PolarHBondContact O-N 3.34Å; K250-V253 PolarHBondContact O-N 2.89Å; V253-V256 HydrophobicContact CB-CG2 3.75Å; V253-V256 HydrophobicContact CG1-CG2 3.52Å; V253-A270 HydrophobicContact CG2-CB 3.72Å
254P91.9Very high90.1Very high64 Ų6492.9 Ų92.942%0.41647%0.472SS..THydrogen-bonded Turntrans-55146.2176.5-27.735.8000113.2V256 Y273P254-V256 PolarHBondContact O-N 3.31Å; P254-V256 VanDerWaalsContact O-N 3.15Å; P254-Y273 VanDerWaalsContact CD-CE1 3.43Å; P254-Y273 VanDerWaalsContact CD-CZ 3.48Å; P254-Y273 HydrophobicContact CG-CD2 4.15Å; P254-Y273 HydrophobicContact CG-CE1 4.12Å; P254-Y273 HydrophobicContact CG-CE2 3.66Å
255N81.8Confident90Very high171 Ų17189.4 Ų89.491%0.91446%0.461SS*.THydrogen-bonded Turntrans60.220.9171.4-50.391.4000115.7
256V82.4Confident89.9Confident22 Ų2287 Ų8713%0.13345%0.445CS..  trans-83.4114.2169179.20000109.8K250 V253 P254 E258 T261K250-V256 HydrophobicContact CD-CG1 4.27Å; K250-V256 HydrophobicContact CG-CB 4.4Å; K250-V256 HydrophobicContact CG-CG1 3.87Å; V253-V256 HydrophobicContact CB-CG2 3.75Å; V253-V256 HydrophobicContact CG1-CG2 3.52Å; P254-V256 PolarHBondContact O-N 3.31Å; P254-V256 VanDerWaalsContact O-N 3.15Å; V256-E258 PolarHBondContact O-N 2.69Å; V256-T261 HydrophobicContact CG1-CG2 3.59Å
257D79.9Confident89.9Confident103 Ų10389.4 Ų89.455%0.55146%0.459SS*.  trans-48.3130179.4-178.69.5000112.3K250 K259 T261K250-D257 WeakPolarHBondContact CE-O 3.32Å; K250-D257 PolarHBondContact NZ-O 3.5Å; K250-D257 VanDerWaalsContact NZ-O 3.1Å; D257-K259 VanDerWaalsContact C-N 3.29Å; D257-K259 PolarHBondContact O-N 3.32Å; D257-K259 VanDerWaalsContact O-O 3.12Å; D257-K259 WeakPolarHBondContact OD1-CB 3.41Å; D257-K259 PolarHBondContact OD1-N 3.02Å; D257-T261 PolarHBondContact O-OG1 2.98Å
258E76.1Confident90Very high178 Ų17893.4 Ų93.483%0.83247%0.471SS*.SBendtrans-66.1-32177-65.4-171.8165.700112K250 V256K250-E258 PolarHBondContact NZ-O 2.8Å; V256-E258 PolarHBondContact O-N 2.69Å
259K76.9Confident90Very high162 Ų16291 Ų9170%0.70446%0.456SS*.SBendtrans-69.5165.2172.9-67.5166.5-177.9166.90110.8D257 T261D257-K259 VanDerWaalsContact C-N 3.29Å; D257-K259 PolarHBondContact O-N 3.32Å; D257-K259 VanDerWaalsContact O-O 3.12Å; D257-K259 WeakPolarHBondContact OD1-CB 3.41Å; D257-K259 PolarHBondContact OD1-N 3.02Å; K259-T261 VanDerWaalsContact C-N 3.32Å; K259-T261 PolarHBondContact O-N 2.91Å; K259-T261 PolarHBondContact O-OG1 3.5Å; K259-T261 VanDerWaalsContact O-OG1 3.1Å
260K77.4Confident90Very high221 Ų22188.6 Ų88.696%0.96145%0.445SS*.SBendtrans-40.879.2-161.7-66.5-175.6178.4178.30116
261T87.2Confident90.2Very high38 Ų3892 Ų9223%0.23346%0.464CS..  trans-71.8138175.8-23.50000109.8K250 V256 D257 K259 V266K250-T261 WeakPolarHBondContact CE-OG1 3.08Å; K250-T261 PolarHBondContact NZ-OG1 3.31Å; V256-T261 HydrophobicContact CG1-CG2 3.59Å; D257-T261 PolarHBondContact O-OG1 2.98Å; K259-T261 VanDerWaalsContact C-N 3.32Å; K259-T261 PolarHBondContact O-N 2.91Å; K259-T261 PolarHBondContact O-OG1 3.5Å; K259-T261 VanDerWaalsContact O-OG1 3.1Å; T261-V266 HydrophobicContact CG2-CG2 3.68Å
262S93.4Very high90.3Very high69 Ų6990.8 Ų90.848%0.48346%0.455SS..  trans-76.1141.8167.3176.50000109.9L264 S265 V266S262-L264 PolarHBondContact O-N 3.32Å; S262-L264 PolarHBondContact OG-N 3.31Å; S262-S265 PolarHBondContact N-OG 3.19Å; S262-S265 PolarHBondContact O-N 2.88Å; S262-S265 PolarHBondContact O-OG 2.87Å; S262-V266 PolarHBondContact O-N 2.69Å
263N94.1Very high90.4Very high90 Ų9089.5 Ų89.548%0.48144%0.442SS..Hα-helixtrans-50.7-35.6173-60.822.8000111.4F246 V266 L267F246-N263 HydrophobicContact CD1-CB 4.2Å; F246-N263 HydrophobicContact CE1-CB 3.85Å; F246-N263 HydrophobicContact CE2-CB 4.31Å; F246-N263 WeakPolarHBondContact CE2-ND2 3.36Å; F246-N263 HydrophobicContact CZ-CB 3.91Å; N263-V266 PolarHBondContact O-N 2.95Å; N263-L267 WeakPolarHBondContact O-CG 3.29Å; N263-L267 PolarHBondContact O-N 3.48Å
264L95Very high90.6Very high90 Ų9093.4 Ų93.447%0.47146%0.462SS..Hα-helixtrans-67.7-35.7177.5-177.359.5000113.1S262 R268S262-L264 PolarHBondContact O-N 3.32Å; S262-L264 PolarHBondContact OG-N 3.31Å; L264-R268 HydrophobicContact CD1-CG 4.33Å; L264-R268 WeakPolarHBondContact O-CB 3.23Å; L264-R268 VanDerWaalsContact O-CG 3.27Å; L264-R268 WeakPolarHBondContact O-CG 3.32Å; L264-R268 PolarHBondContact O-N 2.92Å
265S94.3Very high90.9Very high49 Ų4996 Ų9634%0.34347%0.469SS..Hα-helixtrans-78.9-25.5175.847.40000112.9S262 S269S262-S265 PolarHBondContact N-OG 3.19Å; S262-S265 PolarHBondContact O-N 2.88Å; S262-S265 PolarHBondContact O-OG 2.87Å; S265-S269 VanDerWaalsContact O-CB 3.24Å; S265-S269 WeakPolarHBondContact O-CB 3.29Å; S265-S269 PolarHBondContact O-N 3.47Å; S265-S269 VanDerWaalsContact O-N 3.09Å; S265-S269 PolarHBondContact O-OG 2.88Å
266V95.4Very high91.7Very high5 Ų591.3 Ų91.33%0.0345%0.446CS..Hα-helixtrans-62.5-54.2165.6-178.90000109.9F246 L249 K250 T261 S262 N263 R268 S269 A270F246-V266 HydrophobicContact CD1-CB 4.5Å; F246-V266 HydrophobicContact CD1-CG1 4.39Å; L249-V266 HydrophobicContact CB-CG1 4.29Å; L249-V266 HydrophobicContact CD2-CG1 3.93Å; L249-V266 HydrophobicContact CG-CG1 3.9Å; K250-V266 HydrophobicContact CB-CG1 4.24Å; K250-V266 HydrophobicContact CB-CG2 4.38Å; T261-V266 HydrophobicContact CG2-CG2 3.68Å; S262-V266 PolarHBondContact O-N 2.69Å; N263-V266 PolarHBondContact O-N 2.95Å; V266-R268 PolarHBondContact O-N 3.4Å; V266-S269 PolarHBondContact O-N 3.48Å; V266-S269 VanDerWaalsContact O-N 3.12Å; V266-A270 PolarHBondContact O-N 2.71Å
267L96.5Very high92.5Very high85 Ų8594 Ų9445%0.44546%0.459SS..Hα-helixtrans-58.8-46.6179.8-67.1171.8000112.8F246 L249 N263 S269 A270 L271F246-L267 HydrophobicContact CE1-CD1 4.2Å; F246-L267 HydrophobicContact CE1-CD2 3.94Å; F246-L267 HydrophobicContact CE1-CG 3.89Å; F246-L267 HydrophobicContact CZ-CD1 4.38Å; L249-L267 HydrophobicContact CD2-CD2 4.1Å; N263-L267 WeakPolarHBondContact O-CG 3.29Å; N263-L267 PolarHBondContact O-N 3.48Å; L267-S269 PolarHBondContact O-N 3.26Å; L267-A270 PolarHBondContact O-N 2.99Å; L267-L271 WeakPolarHBondContact O-CB 3.37Å; L267-L271 PolarHBondContact O-N 2.88Å
268R95.9Very high93.4Very high162 Ų16295.8 Ų95.861%0.61146%0.462SS*.Hα-helixtrans-65.8-25.4177.9-74.2174.6173.9175.5-2113.2L264 V266 R272L264-R268 HydrophobicContact CD1-CG 4.33Å; L264-R268 WeakPolarHBondContact O-CB 3.23Å; L264-R268 VanDerWaalsContact O-CG 3.27Å; L264-R268 WeakPolarHBondContact O-CG 3.32Å; L264-R268 PolarHBondContact O-N 2.92Å; V266-R268 PolarHBondContact O-N 3.4Å; R268-R272 VanDerWaalsContact O-CG 3.28Å; R268-R272 WeakPolarHBondContact O-CG 3.44Å; R268-R272 PolarHBondContact O-N 3.29Å; R268-R272 PolarHBondContact O-NE 3.11Å
269S95.9Very high94.4Very high18 Ų1895.4 Ų95.413%0.12645%0.453CS..Hα-helixtrans-86.2-38177.5-55.70000111.5S265 V266 L267 L271 R272 Y273S265-S269 VanDerWaalsContact O-CB 3.24Å; S265-S269 WeakPolarHBondContact O-CB 3.29Å; S265-S269 PolarHBondContact O-N 3.47Å; S265-S269 VanDerWaalsContact O-N 3.09Å; S265-S269 PolarHBondContact O-OG 2.88Å; V266-S269 PolarHBondContact O-N 3.48Å; V266-S269 VanDerWaalsContact O-N 3.12Å; L267-S269 PolarHBondContact O-N 3.26Å; S269-L271 PolarHBondContact O-N 3.2Å; S269-R272 PolarHBondContact O-N 3.2Å; S269-R272 PolarHBondContact OG-NH2 2.84Å; S269-Y273 WeakPolarHBondContact O-CB 3.46Å; S269-Y273 PolarHBondContact O-N 3.43Å
270A97.6Very high95.5Very high8 Ų892.6 Ų92.67%0.06644%0.441CS..Hα-helixtrans-57.1-48.5169.300000111.8L249 V253 V266 L267 R272 Y273 I274L249-A270 HydrophobicContact CD1-CB 3.9Å; L249-A270 HydrophobicContact CD2-CB 4.22Å; L249-A270 HydrophobicContact CG-CB 4.23Å; V253-A270 HydrophobicContact CG2-CB 3.72Å; V266-A270 PolarHBondContact O-N 2.71Å; L267-A270 PolarHBondContact O-N 2.99Å; A270-R272 PolarHBondContact O-N 2.93Å; A270-Y273 PolarHBondContact O-N 2.96Å; A270-I274 VanDerWaalsContact O-CG1 3.31Å; A270-I274 WeakPolarHBondContact O-CG1 3.3Å; A270-I274 PolarHBondContact O-N 2.97Å
271L97.8Very high96.5Very high102 Ų10287.7 Ų87.753%0.53442%0.421SS..Hα-helixtrans-61.7-43.7179.2-177.2145.9000112.3L267 S269 Q275L267-L271 WeakPolarHBondContact O-CB 3.37Å; L267-L271 PolarHBondContact O-N 2.88Å; S269-L271 PolarHBondContact O-N 3.2Å; L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.15Å; L271-Q275 VanDerWaalsContact O-N 3.08Å
272R97.3Very high97Very high148 Ų14891.6 Ų91.656%0.55844%0.435SS*.Hα-helixtrans-63.5-41.1173.7-74.5-177.7-59.2147.64.7112.1R268 S269 A270 Q275 T276R268-R272 VanDerWaalsContact O-CG 3.28Å; R268-R272 WeakPolarHBondContact O-CG 3.44Å; R268-R272 PolarHBondContact O-N 3.29Å; R268-R272 PolarHBondContact O-NE 3.11Å; S269-R272 PolarHBondContact O-N 3.2Å; S269-R272 PolarHBondContact OG-NH2 2.84Å; A270-R272 PolarHBondContact O-N 2.93Å; R272-Q275 PolarHBondContact O-N 3.26Å; R272-T276 PolarHBondContact O-N 3.4Å; R272-T276 PolarHBondContact O-OG1 3.5Å
273Y97.9Very high97.3Very high83 Ų8393 Ų9333%0.32543%0.434SS..Hα-helixtrans-65.4-43.6179.8-179-131.3000111.6N252 P254 S269 A270 Q275 T276 L277N252-Y273 WeakPolarHBondContact O-CE1 3.45Å; P254-Y273 VanDerWaalsContact CD-CE1 3.43Å; P254-Y273 VanDerWaalsContact CD-CZ 3.48Å; P254-Y273 HydrophobicContact CG-CD2 4.15Å; P254-Y273 HydrophobicContact CG-CE1 4.12Å; P254-Y273 HydrophobicContact CG-CE2 3.66Å; S269-Y273 WeakPolarHBondContact O-CB 3.46Å; S269-Y273 PolarHBondContact O-N 3.43Å; A270-Y273 PolarHBondContact O-N 2.96Å; Y273-Q275 VanDerWaalsContact C-N 3.31Å; Y273-Q275 PolarHBondContact O-N 3.24Å; Y273-T276 PolarHBondContact O-N 2.81Å; Y273-T276 VanDerWaalsContact O-N 3.16Å; Y273-L277 HydrophobicContact CD1-CD1 4.16Å; Y273-L277 HydrophobicContact CD2-CD1 4.49Å; Y273-L277 HydrophobicContact CD2-CG 4.18Å; Y273-L277 HydrophobicContact CE1-CD1 3.74Å; Y273-L277 HydrophobicContact CE1-CG 4.38Å; Y273-L277 HydrophobicContact CE2-CD1 4.1Å; Y273-L277 HydrophobicContact CE2-CD2 3.89Å; Y273-L277 HydrophobicContact CE2-CG 3.83Å; Y273-L277 WeakPolarHBondContact O-CG 3.4Å; Y273-L277 PolarHBondContact O-N 3.08Å
274I98.3Very high97.5Very high94 Ų9495.3 Ų95.348%0.48244%0.44SS..Hα-helixtrans-59.3-41.5173.1-66.9163.3000111.1A270 L277 K278A270-I274 VanDerWaalsContact O-CG1 3.31Å; A270-I274 WeakPolarHBondContact O-CG1 3.3Å; A270-I274 PolarHBondContact O-N 2.97Å; I274-L277 PolarHBondContact O-N 2.96Å; I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 3.28Å
275Q98.5Very high97.7Very high119 Ų11996.3 Ų96.356%0.55644%0.442SS*.Hα-helixtrans-64.3-39.6175.3-73.4172.2-24.600112.7L271 R272 Y273 R279L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.15Å; L271-Q275 VanDerWaalsContact O-N 3.08Å; R272-Q275 PolarHBondContact O-N 3.26Å; Y273-Q275 VanDerWaalsContact C-N 3.31Å; Y273-Q275 PolarHBondContact O-N 3.24Å; Q275-R279 PolarHBondContact O-N 3.08Å; Q275-R279 VanDerWaalsContact O-N 3.15Å
276T98.2Very high97.9Very high72 Ų7298.7 Ų98.744%0.44245%0.448SS..Hα-helixtrans-66.6-42.5174.3-61.70000111.8R272 Y273 R279 K280R272-T276 PolarHBondContact O-N 3.4Å; R272-T276 PolarHBondContact O-OG1 3.5Å; Y273-T276 PolarHBondContact O-N 2.81Å; Y273-T276 VanDerWaalsContact O-N 3.16Å; T276-R279 PolarHBondContact O-N 3.39Å; T276-K280 PolarHBondContact O-N 3.16Å
277L98.5Very high98Very high79 Ų79102.1 Ų102.141%0.41446%0.463SS..Hα-helixtrans-61.2-48.4176.3-73178.2000111.3Y273 I274 R279 K280 E281Y273-L277 HydrophobicContact CD1-CD1 4.16Å; Y273-L277 HydrophobicContact CD2-CD1 4.49Å; Y273-L277 HydrophobicContact CD2-CG 4.18Å; Y273-L277 HydrophobicContact CE1-CD1 3.74Å; Y273-L277 HydrophobicContact CE1-CG 4.38Å; Y273-L277 HydrophobicContact CE2-CD1 4.1Å; Y273-L277 HydrophobicContact CE2-CD2 3.89Å; Y273-L277 HydrophobicContact CE2-CG 3.83Å; Y273-L277 WeakPolarHBondContact O-CG 3.4Å; Y273-L277 PolarHBondContact O-N 3.08Å; I274-L277 PolarHBondContact O-N 2.96Å; L277-R279 PolarHBondContact O-N 2.91Å; L277-K280 PolarHBondContact O-N 2.93Å; L277-K280 VanDerWaalsContact O-N 3.08Å; L277-E281 WeakPolarHBondContact O-CB 3.26Å; L277-E281 PolarHBondContact O-N 3.2Å
278K98.5Very high98.1Very high139 Ų139104.5 Ų104.560%0.60447%0.474SS*.Hα-helixtrans-62.5-25.8176.5-73.5-165.7170.8-152.70114.3I274I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 3.28Å
279R98.6Very high98.3Very high171 Ų171101 Ų10165%0.64546%0.464SS*.Hα-helixtrans-73.9-48170.7-163.9-168.1-64.5175.8-1.5110.8Q275 T276 L277 E281 K282 E283Q275-R279 PolarHBondContact O-N 3.08Å; Q275-R279 VanDerWaalsContact O-N 3.15Å; T276-R279 PolarHBondContact O-N 3.39Å; L277-R279 PolarHBondContact O-N 2.91Å; R279-E281 VanDerWaalsContact C-N 3.32Å; R279-E281 PolarHBondContact O-N 2.84Å; R279-K282 PolarHBondContact O-N 2.89Å; R279-E283 WeakPolarHBondContact CD-OE1 3.42Å; R279-E283 HydrophobicContact CG-CG 4.46Å; R279-E283 VanDerWaalsContact CG-OE1 3.23Å; R279-E283 WeakPolarHBondContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact O-CG 3.23Å; R279-E283 PolarHBondContact O-N 2.75Å
280K98.4Very high98.4Very high103 Ų103105.4 Ų105.445%0.44848%0.478SS..Hα-helixtrans-61.8-37.9178.5-76.3-165.5168-159.50113.3T276 L277 K282 E283 F284T276-K280 PolarHBondContact O-N 3.16Å; L277-K280 PolarHBondContact O-N 2.93Å; L277-K280 VanDerWaalsContact O-N 3.08Å; K280-K282 PolarHBondContact O-N 3.49Å; K280-E283 PolarHBondContact O-N 2.9Å; K280-F284 HydrophobicContact CB-CD2 4.39Å; K280-F284 HydrophobicContact CB-CE2 4.11Å; K280-F284 WeakPolarHBondContact O-CB 3.36Å; K280-F284 WeakPolarHBondContact O-CD2 3.38Å; K280-F284 WeakPolarHBondContact O-CG 3.43Å; K280-F284 PolarHBondContact O-N 3.44Å
281E98.6Very high98.5Very high117 Ų117109.2 Ų109.255%0.54750%0.497SS..Hα-helixtrans-49.9-56.2170.9-176.2169.3-121.100110.2L277 R279 E283 F284 E285L277-E281 WeakPolarHBondContact O-CB 3.26Å; L277-E281 PolarHBondContact O-N 3.2Å; R279-E281 VanDerWaalsContact C-N 3.32Å; R279-E281 PolarHBondContact O-N 2.84Å; E281-E283 PolarHBondContact O-N 3.09Å; E281-F284 PolarHBondContact O-N 3.3Å; E281-E285 WeakPolarHBondContact O-CG 3.02Å; E281-E285 PolarHBondContact O-N 2.82Å
282K98.6Very high98.5Very high120 Ų120106.6 Ų106.652%0.52249%0.49SS..Hα-helixtrans-66.7-34.2175.6-178168.3-179.9172.10114.5R279 K280 F284 E285 H286R279-K282 PolarHBondContact O-N 2.89Å; K280-K282 PolarHBondContact O-N 3.49Å; K282-F284 VanDerWaalsContact C-N 3.33Å; K282-E285 PolarHBondContact O-N 3.38Å; K282-H286 WeakPolarHBondContact CE-NE2 3.31Å; K282-H286 PolarHBondContact O-CD2 2.88Å; K282-H286 VanDerWaalsContact O-CD2 3.29Å; K282-H286 PolarHBondContact O-N 3.13Å; K282-H286 VanDerWaalsContact O-N 3.11Å
283E98.6Very high98.6Very high98 Ų98107.3 Ų107.346%0.45849%0.493SS..Hα-helixtrans-62.5-41173.7-70.3162.2-17600110.7R279 K280 E281 E287R279-E283 WeakPolarHBondContact CD-OE1 3.42Å; R279-E283 HydrophobicContact CG-CG 4.46Å; R279-E283 VanDerWaalsContact CG-OE1 3.23Å; R279-E283 WeakPolarHBondContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact O-CG 3.23Å; R279-E283 PolarHBondContact O-N 2.75Å; K280-E283 PolarHBondContact O-N 2.9Å; E281-E283 PolarHBondContact O-N 3.09Å; E283-E287 WeakPolarHBondContact O-CB 3.5Å; E283-E287 PolarHBondContact O-N 3.44Å
284F98.8Very high98.6Very high139 Ų139107.8 Ų107.861%0.6150%0.498SS*.Hα-helixtrans-73.2-35.1175.9-67.1-51.4000113.4K280 E281 K282 E287 M288K280-F284 HydrophobicContact CB-CD2 4.39Å; K280-F284 HydrophobicContact CB-CE2 4.11Å; K280-F284 WeakPolarHBondContact O-CB 3.36Å; K280-F284 WeakPolarHBondContact O-CD2 3.38Å; K280-F284 WeakPolarHBondContact O-CG 3.43Å; K280-F284 PolarHBondContact O-N 3.44Å; E281-F284 PolarHBondContact O-N 3.3Å; K282-F284 VanDerWaalsContact C-N 3.33Å; F284-E287 PolarHBondContact O-N 3.02Å; F284-M288 VanDerWaalsContact O-CB 3.26Å; F284-M288 WeakPolarHBondContact O-CB 3.43Å; F284-M288 PolarHBondContact O-N 3.41Å
285E98.6Very high98.7Very high112 Ų112109.3 Ų109.352%0.52350%0.502SS..Hα-helixtrans-57.2-48.4170.9-73.3174.5155.400111.1E281 K282 M288 E289E281-E285 WeakPolarHBondContact O-CG 3.02Å; E281-E285 PolarHBondContact O-N 2.82Å; K282-E285 PolarHBondContact O-N 3.38Å; E285-M288 PolarHBondContact O-N 3.33Å; E285-E289 PolarHBondContact O-N 3.48Å
286H98.8Very high98.7Very high98 Ų98106.9 Ų106.945%0.45449%0.491SS..Hα-helixtrans-67.6-39177.8-75.5-48.4000113.1K282 E289 R290K282-H286 WeakPolarHBondContact CE-NE2 3.31Å; K282-H286 PolarHBondContact O-CD2 2.88Å; K282-H286 VanDerWaalsContact O-CD2 3.29Å; K282-H286 PolarHBondContact O-N 3.13Å; K282-H286 VanDerWaalsContact O-N 3.11Å; H286-E289 PolarHBondContact O-N 3.39Å; H286-R290 WeakPolarHBondContact O-CB 3.36Å; H286-R290 PolarHBondContact O-N 2.71Å
287E98.8Very high98.7Very high77 Ų77106.8 Ų106.836%0.3649%0.494SS..Hα-helixtrans-68.3-36.9177.2-174.955-15300111.8E283 F284 R290 L291E283-E287 WeakPolarHBondContact O-CB 3.5Å; E283-E287 PolarHBondContact O-N 3.44Å; F284-E287 PolarHBondContact O-N 3.02Å; E287-R290 VanDerWaalsContact CD-NE 3.3Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.74Å; E287-R290 VanDerWaalsContact OE1-CZ 3.24Å; E287-R290 IonicContact OE1-NE 2.73Å; E287-R290 PolarHBondContact OE1-NE 3.19Å; E287-R290 IonicContact OE1-NH2 3.8Å; E287-R290 PolarHBondContact OE1-NH2 3.34Å; E287-R290 WeakPolarHBondContact OE2-CD 2.98Å; E287-R290 IonicContact OE2-CZ 3.66Å; E287-R290 IonicContact OE2-NE 3.32Å; E287-R290 PolarHBondContact OE2-NE 3.46Å; E287-L291 HydrophobicContact CG-CD1 4.06Å; E287-L291 WeakPolarHBondContact O-CB 3.44Å; E287-L291 VanDerWaalsContact O-CG 3.31Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 3.43Å
288M98.8Very high98.7Very high136 Ų136106.6 Ų106.667%0.6750%0.496SS*.Hα-helixtrans-62.7-42.1171.6-178.2177.565.400111.6F284 E285 A292F284-M288 VanDerWaalsContact O-CB 3.26Å; F284-M288 WeakPolarHBondContact O-CB 3.43Å; F284-M288 PolarHBondContact O-N 3.41Å; E285-M288 PolarHBondContact O-N 3.33Å; M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.33Å; M288-A292 PolarHBondContact O-N 3.45Å
289E98.8Very high98.7Very high87 Ų87103.8 Ų103.841%0.40749%0.485SS..Hα-helixtrans-63.4-43.5174.2-163.7-160.8155.300111.6E285 H286 A292 R293E285-E289 PolarHBondContact O-N 3.48Å; H286-E289 PolarHBondContact O-N 3.39Å; E289-A292 PolarHBondContact O-N 3.48Å; E289-R293 VanDerWaalsContact O-CG 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.07Å; E289-R293 PolarHBondContact O-N 3.17Å; E289-R293 IonicContact OE1-CZ 2.93Å; E289-R293 IonicContact OE1-NE 3.86Å; E289-R293 PolarHBondContact OE1-NE 3.21Å; E289-R293 IonicContact OE1-NH2 2.96Å; E289-R293 PolarHBondContact OE1-NH2 3.27Å
290R98.8Very high98.7Very high112 Ų112100.9 Ų100.942%0.42348%0.479SS..Hα-helixtrans-60.1-49.3177.7-164.8-160.468.764.76.7111.2H286 E287 A292 R293 E294H286-R290 WeakPolarHBondContact O-CB 3.36Å; H286-R290 PolarHBondContact O-N 2.71Å; E287-R290 VanDerWaalsContact CD-NE 3.3Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.74Å; E287-R290 VanDerWaalsContact OE1-CZ 3.24Å; E287-R290 IonicContact OE1-NE 2.73Å; E287-R290 PolarHBondContact OE1-NE 3.19Å; E287-R290 IonicContact OE1-NH2 3.8Å; E287-R290 PolarHBondContact OE1-NH2 3.34Å; E287-R290 WeakPolarHBondContact OE2-CD 2.98Å; E287-R290 IonicContact OE2-CZ 3.66Å; E287-R290 IonicContact OE2-NE 3.32Å; E287-R290 PolarHBondContact OE2-NE 3.46Å; R290-A292 PolarHBondContact O-N 3.5Å; R290-R293 PolarHBondContact O-N 3.39Å; R290-E294 IonicContact CZ-OE2 3.26Å; R290-E294 IonicContact NH1-OE2 2.96Å; R290-E294 PolarHBondContact NH1-OE2 3.1Å; R290-E294 IonicContact NH2-OE2 2.71Å; R290-E294 PolarHBondContact NH2-OE2 3.41Å; R290-E294 WeakPolarHBondContact O-CB 3.49Å; R290-E294 PolarHBondContact O-N 3.38Å
291L98.9Very high98.7Very high87 Ų87100.9 Ų100.946%0.45548%0.476SS..Hα-helixtrans-64.6-36.1176.9-74.4165.9000112.4E287 K295E287-L291 HydrophobicContact CG-CD1 4.06Å; E287-L291 WeakPolarHBondContact O-CB 3.44Å; E287-L291 VanDerWaalsContact O-CG 3.31Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 3.43Å; L291-K295 VanDerWaalsContact O-CB 3.23Å; L291-K295 WeakPolarHBondContact O-CB 3.23Å; L291-K295 PolarHBondContact O-N 3.3Å
292A98.8Very high98.6Very high48 Ų48100.1 Ų100.140%0.39748%0.475SS..Hα-helixtrans-65.7-42.1174.900000111.8M288 E289 R290 K295 I296M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.33Å; M288-A292 PolarHBondContact O-N 3.45Å; E289-A292 PolarHBondContact O-N 3.48Å; R290-A292 PolarHBondContact O-N 3.5Å; A292-K295 PolarHBondContact O-N 2.87Å; A292-I296 VanDerWaalsContact O-CG1 3.29Å; A292-I296 WeakPolarHBondContact O-CG1 3.42Å; A292-I296 PolarHBondContact O-N 2.9Å
293R98.8Very high98.5Very high162 Ų16297.3 Ų97.361%0.61147%0.474SS*.Hα-helixtrans-65.4-43.2174.9-69.9169.5178.2-792.6112E289 R290 I296 S297E289-R293 VanDerWaalsContact O-CG 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.07Å; E289-R293 PolarHBondContact O-N 3.17Å; E289-R293 IonicContact OE1-CZ 2.93Å; E289-R293 IonicContact OE1-NE 3.86Å; E289-R293 PolarHBondContact OE1-NE 3.21Å; E289-R293 IonicContact OE1-NH2 2.96Å; E289-R293 PolarHBondContact OE1-NH2 3.27Å; R290-R293 PolarHBondContact O-N 3.39Å; R293-I296 PolarHBondContact O-N 3.4Å; R293-S297 PolarHBondContact O-N 3.4Å
294E98.8Very high98.5Very high94 Ų9496.9 Ų96.944%0.43947%0.472SS..Hα-helixtrans-59.8-49.8174.3-177.3172.1-165.600111.1R290 I296 S297 T298R290-E294 IonicContact CZ-OE2 3.26Å; R290-E294 IonicContact NH1-OE2 2.96Å; R290-E294 PolarHBondContact NH1-OE2 3.1Å; R290-E294 IonicContact NH2-OE2 2.71Å; R290-E294 PolarHBondContact NH2-OE2 3.41Å; R290-E294 WeakPolarHBondContact O-CB 3.49Å; R290-E294 PolarHBondContact O-N 3.38Å; E294-I296 VanDerWaalsContact C-N 3.33Å; E294-I296 PolarHBondContact O-N 3.1Å; E294-S297 WeakPolarHBondContact O-CB 3.37Å; E294-S297 PolarHBondContact O-N 3.42Å; E294-S297 VanDerWaalsContact O-N 3.11Å; E294-T298 PolarHBondContact O-N 3.46Å; E294-T298 PolarHBondContact O-OG1 3.21Å; E294-T298 VanDerWaalsContact O-OG1 3.11Å
295K98.8Very high98.3Very high126 Ų12694.1 Ų94.155%0.54846%0.463SS..Hα-helixtrans-56.7-42.6176.1-179.4175.7179.3176.50112.6L291 A292 Q299L291-K295 VanDerWaalsContact O-CB 3.23Å; L291-K295 WeakPolarHBondContact O-CB 3.23Å; L291-K295 PolarHBondContact O-N 3.3Å; A292-K295 PolarHBondContact O-N 2.87Å; K295-Q299 WeakPolarHBondContact O-CB 3.32Å; K295-Q299 VanDerWaalsContact O-CG 3.23Å; K295-Q299 WeakPolarHBondContact O-CG 3.38Å; K295-Q299 PolarHBondContact O-N 2.82Å
296I98.7Very high97.9Very high67 Ų6796 Ų9634%0.34447%0.47SS..Hα-helixtrans-63.4-46.3176.1-70.8164.5000110.5A292 R293 E294 T298 Q299 Q300A292-I296 VanDerWaalsContact O-CG1 3.29Å; A292-I296 WeakPolarHBondContact O-CG1 3.42Å; A292-I296 PolarHBondContact O-N 2.9Å; R293-I296 PolarHBondContact O-N 3.4Å; E294-I296 VanDerWaalsContact C-N 3.33Å; E294-I296 PolarHBondContact O-N 3.1Å; I296-T298 PolarHBondContact O-N 2.97Å; I296-Q299 PolarHBondContact O-N 2.86Å; I296-Q300 HydrophobicContact CG2-CG 4.39Å; I296-Q300 WeakPolarHBondContact O-CB 3.31Å; I296-Q300 WeakPolarHBondContact O-CG 3.37Å; I296-Q300 PolarHBondContact O-N 3.45Å
297S98.8Very high97.6Very high71 Ų7195.6 Ų95.650%0.49747%0.471SS..Hα-helixtrans-59.4-45.9177-177.10000112.2R293 E294 Q299 Q300 R301R293-S297 PolarHBondContact O-N 3.4Å; E294-S297 WeakPolarHBondContact O-CB 3.37Å; E294-S297 PolarHBondContact O-N 3.42Å; E294-S297 VanDerWaalsContact O-N 3.11Å; S297-Q299 PolarHBondContact O-N 2.99Å; S297-Q300 PolarHBondContact O-N 3Å; S297-R301 PolarHBondContact O-N 2.92Å
298T98.4Very high97.4Very high75 Ų7595.8 Ų95.846%0.4647%0.472SS..Hα-helixtrans-63.9-40.6175.4-50.20000112.1E294 I296 R301 L302E294-T298 PolarHBondContact O-N 3.46Å; E294-T298 PolarHBondContact O-OG1 3.21Å; E294-T298 VanDerWaalsContact O-OG1 3.11Å; I296-T298 PolarHBondContact O-N 2.97Å; T298-R301 PolarHBondContact O-N 2.94Å; T298-L302 HydrophobicContact CG2-CD1 4.26Å; T298-L302 WeakPolarHBondContact O-CB 3.41Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.39Å; T298-L302 PolarHBondContact O-N 3.13Å
299Q98.6Very high96.9Very high79 Ų7992.8 Ų92.837%0.36946%0.458SS..Hα-helixtrans-66.4-37.2176.5-76.1179.7-28.900112.3K295 I296 S297 A303K295-Q299 WeakPolarHBondContact O-CB 3.32Å; K295-Q299 VanDerWaalsContact O-CG 3.23Å; K295-Q299 WeakPolarHBondContact O-CG 3.38Å; K295-Q299 PolarHBondContact O-N 2.82Å; I296-Q299 PolarHBondContact O-N 2.86Å; S297-Q299 PolarHBondContact O-N 2.99Å; Q299-A303 WeakPolarHBondContact O-CB 3.4Å; Q299-A303 PolarHBondContact O-N 3.03Å
300Q98.7Very high96.4Very high111 Ų11191.8 Ų91.852%0.51946%0.461SS..Hα-helixtrans-63.2-50.1172.1-74.9170.1-31.400110.7I296 S297 L302 A303 E304I296-Q300 HydrophobicContact CG2-CG 4.39Å; I296-Q300 WeakPolarHBondContact O-CB 3.31Å; I296-Q300 WeakPolarHBondContact O-CG 3.37Å; I296-Q300 PolarHBondContact O-N 3.45Å; S297-Q300 PolarHBondContact O-N 3Å; Q300-L302 VanDerWaalsContact C-N 3.29Å; Q300-L302 PolarHBondContact O-N 3.35Å; Q300-A303 WeakPolarHBondContact O-CA 3.34Å; Q300-A303 WeakPolarHBondContact O-CB 3.49Å; Q300-A303 PolarHBondContact O-N 3.38Å; Q300-E304 WeakPolarHBondContact O-CG 3.29Å; Q300-E304 PolarHBondContact O-N 3.12Å
301R98.3Very high95.9Very high102 Ų10293 Ų9339%0.38547%0.471SS..Hα-helixtrans-64.1-32.3178.8-170.859.5-167.7146.811.6113.1S297 T298 E304 L305 E308S297-R301 PolarHBondContact O-N 2.92Å; T298-R301 PolarHBondContact O-N 2.94Å; R301-E304 WeakPolarHBondContact CD-OE2 3.48Å; R301-E304 IonicContact CZ-OE2 2.69Å; R301-E304 IonicContact NE-OE2 3.24Å; R301-E304 IonicContact NH1-OE2 3.94Å; R301-E304 PolarHBondContact NH1-OE2 3.13Å; R301-L305 HydrophobicContact CG-CD1 4.14Å; R301-L305 VanDerWaalsContact NH2-CD2 3.26Å; R301-L305 WeakPolarHBondContact O-CB 3.32Å; R301-L305 VanDerWaalsContact O-CG 3.29Å; R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 3.03Å; R301-E308 IonicContact CZ-OE1 3.61Å; R301-E308 IonicContact NH1-OE1 2.69Å; R301-E308 PolarHBondContact NH1-OE1 3.08Å; R301-E308 IonicContact NH2-OE1 2.71Å; R301-E308 PolarHBondContact NH2-OE1 2.72Å; R301-E308 IonicContact NH2-OE2 3.66Å; R301-E308 PolarHBondContact NH2-OE2 3.46Å
302L97.4Very high95.3Very high102 Ų10295.4 Ų95.453%0.53449%0.485SS..Hα-helixtrans-68.3-34.5171.6-74.7170.8000112.9T298 Q300 K306T298-L302 HydrophobicContact CG2-CD1 4.26Å; T298-L302 WeakPolarHBondContact O-CB 3.41Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.39Å; T298-L302 PolarHBondContact O-N 3.13Å; Q300-L302 VanDerWaalsContact C-N 3.29Å; Q300-L302 PolarHBondContact O-N 3.35Å; L302-K306 WeakPolarHBondContact O-CB 3.44Å; L302-K306 WeakPolarHBondContact O-CG 3.21Å; L302-K306 PolarHBondContact O-N 3.45Å; L302-K306 VanDerWaalsContact O-N 3.12Å
303A96.6Very high94.4Very high60 Ų6095.9 Ų95.950%0.49648%0.479SS..Hα-helixtrans-71.8-41.4174.300000111.8Q299 Q300 K306 N307Q299-A303 WeakPolarHBondContact O-CB 3.4Å; Q299-A303 PolarHBondContact O-N 3.03Å; Q300-A303 WeakPolarHBondContact O-CA 3.34Å; Q300-A303 WeakPolarHBondContact O-CB 3.49Å; Q300-A303 PolarHBondContact O-N 3.38Å; A303-K306 PolarHBondContact O-N 3.42Å; A303-N307 WeakPolarHBondContact O-CB 3.25Å; A303-N307 PolarHBondContact O-N 2.88Å
304E96.8Very high93.6Very high90 Ų9092.8 Ų92.842%0.42148%0.475SS..Hα-helixtrans-57.3-54.1172-70.3165.2-160.500111.2Q300 R301 K306 N307 E308Q300-E304 WeakPolarHBondContact O-CG 3.29Å; Q300-E304 PolarHBondContact O-N 3.12Å; R301-E304 WeakPolarHBondContact CD-OE2 3.48Å; R301-E304 IonicContact CZ-OE2 2.69Å; R301-E304 IonicContact NE-OE2 3.24Å; R301-E304 IonicContact NH1-OE2 3.94Å; R301-E304 PolarHBondContact NH1-OE2 3.13Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 2.99Å; E304-N307 CarbonylContact O-C 3.59Å; E304-N307 WeakPolarHBondContact O-CA 3.42Å; E304-N307 WeakPolarHBondContact O-CB 3.48Å; E304-N307 PolarHBondContact O-N 3Å; E304-E308 WeakPolarHBondContact O-CB 3.43Å; E304-E308 WeakPolarHBondContact O-CG 3.43Å; E304-E308 PolarHBondContact O-N 2.84Å
305L94.6Very high92.6Very high80 Ų8091.5 Ų91.542%0.41948%0.481SS..Hα-helixtrans-61-35.4179.6-75.8167.8000113R301 L309R301-L305 HydrophobicContact CG-CD1 4.14Å; R301-L305 VanDerWaalsContact NH2-CD2 3.26Å; R301-L305 WeakPolarHBondContact O-CB 3.32Å; R301-L305 VanDerWaalsContact O-CG 3.29Å; R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 3.03Å; L305-L309 VanDerWaalsContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 PolarHBondContact O-N 2.92Å
306K91.6Very high91.6Very high152 Ų15292.1 Ų92.166%0.66149%0.487SS*.Hα-helixtrans-67.5-39.5172.6-81.2-174.6171.7-166.50112.4L302 A303 E304 L309 S310L302-K306 WeakPolarHBondContact O-CB 3.44Å; L302-K306 WeakPolarHBondContact O-CG 3.21Å; L302-K306 PolarHBondContact O-N 3.45Å; L302-K306 VanDerWaalsContact O-N 3.12Å; A303-K306 PolarHBondContact O-N 3.42Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 2.99Å; K306-L309 PolarHBondContact O-N 2.89Å; K306-S310 WeakPolarHBondContact O-CB 3.4Å; K306-S310 PolarHBondContact O-N 3.15Å; K306-S310 PolarHBondContact O-OG 3Å
307N92.7Very high90.9Very high89 Ų8993.6 Ų93.648%0.47649%0.493SS..Hα-helixtrans-66.2-49.3176.1-172.621.8000110.8A303 E304 L309 S310 Q311A303-N307 WeakPolarHBondContact O-CB 3.25Å; A303-N307 PolarHBondContact O-N 2.88Å; E304-N307 CarbonylContact O-C 3.59Å; E304-N307 WeakPolarHBondContact O-CA 3.42Å; E304-N307 WeakPolarHBondContact O-CB 3.48Å; E304-N307 PolarHBondContact O-N 3Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 3.38Å; N307-S310 WeakPolarHBondContact CA-OG 3.45Å; N307-S310 PolarHBondContact O-N 2.71Å; N307-S310 VanDerWaalsContact O-N 3.14Å; N307-S310 PolarHBondContact O-OG 3.29Å; N307-Q311 PolarHBondContact ND2-NE2 2.9Å; N307-Q311 WeakPolarHBondContact O-CG 3.45Å; N307-Q311 PolarHBondContact O-N 3.47Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å
308E92.8Very high90Very high81 Ų8191.9 Ų91.938%0.37948%0.478SS..Hα-helixtrans-51-48.8172.1-72.2170.6-145.500110.8R301 E304 Q311 N312R301-E308 IonicContact CZ-OE1 3.61Å; R301-E308 IonicContact NH1-OE1 2.69Å; R301-E308 PolarHBondContact NH1-OE1 3.08Å; R301-E308 IonicContact NH2-OE1 2.71Å; R301-E308 PolarHBondContact NH2-OE1 2.72Å; R301-E308 IonicContact NH2-OE2 3.66Å; R301-E308 PolarHBondContact NH2-OE2 3.46Å; E304-E308 WeakPolarHBondContact O-CB 3.43Å; E304-E308 WeakPolarHBondContact O-CG 3.43Å; E304-E308 PolarHBondContact O-N 2.84Å; E308-Q311 PolarHBondContact O-N 3.19Å; E308-N312 PolarHBondContact O-N 3.32Å; E308-N312 PolarHBondContact O-ND2 2.75Å
309L89.2Confident89.2Confident74 Ų7492.6 Ų92.639%0.38748%0.479SS..Hα-helixtrans-64-43.8178-171.563.8000112.3L305 K306 N307 Q311 N312 M313 I318L305-L309 VanDerWaalsContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 PolarHBondContact O-N 2.92Å; K306-L309 PolarHBondContact O-N 2.89Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 3.38Å; L309-Q311 PolarHBondContact O-N 3.42Å; L309-N312 PolarHBondContact O-N 3.2Å; L309-M313 HydrophobicContact CD1-CG 4.32Å; L309-M313 HydrophobicContact CD1-SD 3.77Å; L309-M313 PolarHBondContact O-N 2.89Å; L309-I318 HydrophobicContact CB-CD1 4.41Å; L309-I318 HydrophobicContact CD2-CD1 4.29Å; L309-I318 HydrophobicContact CD2-CG1 4.14Å; L309-I318 HydrophobicContact CD2-CG2 3.87Å; L309-I318 HydrophobicContact CG-CD1 3.82Å; L309-I318 HydrophobicContact CG-CG1 3.96Å
310S88.8Confident88.6Confident66 Ų6696.2 Ų96.246%0.46249%0.489SS..Hα-helixtrans-67.8-12.6177.568.50000115.3K306 N307K306-S310 WeakPolarHBondContact O-CB 3.4Å; K306-S310 PolarHBondContact O-N 3.15Å; K306-S310 PolarHBondContact O-OG 3Å; N307-S310 WeakPolarHBondContact CA-OG 3.45Å; N307-S310 PolarHBondContact O-N 2.71Å; N307-S310 VanDerWaalsContact O-N 3.14Å; N307-S310 PolarHBondContact O-OG 3.29Å
311Q88.8Confident87.9Confident137 Ų13793.9 Ų93.964%0.6448%0.482SS*.Hα-helixtrans-90.3-19.4170.8-68.7169.135.300112.5N307 E308 L309N307-Q311 PolarHBondContact ND2-NE2 2.9Å; N307-Q311 WeakPolarHBondContact O-CG 3.45Å; N307-Q311 PolarHBondContact O-N 3.47Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å; E308-Q311 PolarHBondContact O-N 3.19Å; L309-Q311 PolarHBondContact O-N 3.42Å
312N85.2Confident87.1Confident138 Ų13893.4 Ų93.474%0.73849%0.486SS*.Hα-helixtrans-103.8-19.1-178.7-74.2-85.9000113.5E308 L309E308-N312 PolarHBondContact O-N 3.32Å; E308-N312 PolarHBondContact O-ND2 2.75Å; L309-N312 PolarHBondContact O-N 3.2Å
313M80.9Confident86.4Confident57 Ų5796.4 Ų96.428%0.28149%0.491SS..SBendtrans-140.6147.7-179-64.4-177.869.500110.9L309 E317 I318 V321L309-M313 HydrophobicContact CD1-CG 4.32Å; L309-M313 HydrophobicContact CD1-SD 3.77Å; L309-M313 PolarHBondContact O-N 2.89Å; M313-E317 HydrophobicContact CE-CB 4.07Å; M313-E317 HydrophobicContact CE-CG 3.55Å; M313-I318 HydrophobicContact CB-CD1 4.1Å; M313-I318 HydrophobicContact CB-CG1 3.76Å; M313-I318 WeakPolarHBondContact O-CD1 3.48Å; M313-V321 HydrophobicContact CE-CG2 4.3Å
314D82.1Confident85.4Confident97 Ų9799.5 Ų99.552%0.51950%0.495SS..  trans-67.7146.4174.6-178.729.5000111.2M316 E317 I318D314-M316 PolarHBondContact O-N 3.05Å; D314-M316 VanDerWaalsContact O-N 3.15Å; D314-E317 WeakPolarHBondContact O-CA 3.3Å; D314-E317 WeakPolarHBondContact O-CB 3.17Å; D314-E317 PolarHBondContact O-N 3.41Å; D314-I318 PolarHBondContact O-N 2.9Å
315A76.6Confident84.2Confident68 Ų68100.6 Ų100.656%0.56251%0.508SS*.Hα-helixtrans-57.9-33-174.900000113.1E317 D319A315-E317 VanDerWaalsContact C-N 3.35Å; A315-D319 PolarHBondContact O-N 3.09Å; A315-D319 VanDerWaalsContact O-N 3.12Å
316M77.9Confident82.7Confident139 Ų139102.7 Ų102.769%0.68552%0.518SS*.Hα-helixtrans-71.1-27.8175-64.2-166.3-63.100113.4D314 R320D314-M316 PolarHBondContact O-N 3.05Å; D314-M316 VanDerWaalsContact O-N 3.15Å; M316-R320 WeakPolarHBondContact O-CB 3.39Å; M316-R320 PolarHBondContact O-N 2.71Å
317E83.7Confident80.8Confident98 Ų98102.2 Ų102.246%0.45852%0.519SS..Hα-helixtrans-80-35.7176.2-159.2174.4-161.300110.9M313 D314 A315 R320 V321M313-E317 HydrophobicContact CE-CB 4.07Å; M313-E317 HydrophobicContact CE-CG 3.55Å; D314-E317 WeakPolarHBondContact O-CA 3.3Å; D314-E317 WeakPolarHBondContact O-CB 3.17Å; D314-E317 PolarHBondContact O-N 3.41Å; A315-E317 VanDerWaalsContact C-N 3.35Å; E317-R320 WeakPolarHBondContact O-CB 3.24Å; E317-R320 PolarHBondContact O-N 2.94Å; E317-V321 WeakPolarHBondContact O-CG2 3.36Å; E317-V321 PolarHBondContact O-N 3.05Å
318I80.3Confident79Confident35 Ų35102.5 Ų102.518%0.17953%0.525CS..Hα-helixtrans-61.8-46.2173-63.5172.6000111.2L309 M313 D314 V321 L322L309-I318 HydrophobicContact CB-CD1 4.41Å; L309-I318 HydrophobicContact CD2-CD1 4.29Å; L309-I318 HydrophobicContact CD2-CG1 4.14Å; L309-I318 HydrophobicContact CD2-CG2 3.87Å; L309-I318 HydrophobicContact CG-CD1 3.82Å; L309-I318 HydrophobicContact CG-CG1 3.96Å; M313-I318 HydrophobicContact CB-CD1 4.1Å; M313-I318 HydrophobicContact CB-CG1 3.76Å; M313-I318 WeakPolarHBondContact O-CD1 3.48Å; D314-I318 PolarHBondContact O-N 2.9Å; I318-V321 PolarHBondContact O-N 3.09Å; I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 PolarHBondContact O-N 2.84Å
319D81.4Confident77Confident90 Ų90107.1 Ų107.148%0.48155%0.547SS..Hα-helixtrans-62.5-42.6175.1-178.276.4000111.7A315 V321 L322 R323A315-D319 PolarHBondContact O-N 3.09Å; A315-D319 VanDerWaalsContact O-N 3.12Å; D319-V321 PolarHBondContact O-N 3.06Å; D319-L322 PolarHBondContact O-N 3.38Å; D319-R323 WeakPolarHBondContact O-CB 3.27Å; D319-R323 VanDerWaalsContact O-CG 3.25Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-N 3.01Å; D319-R323 WeakPolarHBondContact OD2-CD 3.28Å
320R85.9Confident75.4Confident154 Ų154110.2 Ų110.258%0.58156%0.564SS**Hα-helixtrans-55.9-50.9176-177.4-167.6-56.7-93.9-2.5111.9M316 E317 Q324M316-R320 WeakPolarHBondContact O-CB 3.39Å; M316-R320 PolarHBondContact O-N 2.71Å; E317-R320 WeakPolarHBondContact O-CB 3.24Å; E317-R320 PolarHBondContact O-N 2.94Å; R320-Q324 WeakPolarHBondContact O-CG 3.3Å; R320-Q324 PolarHBondContact O-N 3.1Å; R320-Q324 VanDerWaalsContact O-N 3.09Å
321V83.4Confident73.8Confident63 Ų63114 Ų11438%0.38258%0.579SS.*Hα-helixtrans-66.9-45.7-179.91730000110.8M313 E317 I318 D319 R323 Q324 T325M313-V321 HydrophobicContact CE-CG2 4.3Å; E317-V321 WeakPolarHBondContact O-CG2 3.36Å; E317-V321 PolarHBondContact O-N 3.05Å; I318-V321 PolarHBondContact O-N 3.09Å; D319-V321 PolarHBondContact O-N 3.06Å; V321-R323 VanDerWaalsContact C-N 3.31Å; V321-R323 PolarHBondContact O-N 2.81Å; V321-Q324 WeakPolarHBondContact O-CB 3.38Å; V321-Q324 PolarHBondContact O-N 2.88Å; V321-T325 PolarHBondContact O-N 3.49Å; V321-T325 PolarHBondContact O-OG1 3.1Å
322L82.9Confident72Confident91 Ų91115.3 Ų115.348%0.47659%0.585SS.*Hα-helixtrans-60.5-40.8179.6-173.866.2000111.8I318 D319 T325 I326I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 PolarHBondContact O-N 2.84Å; D319-L322 PolarHBondContact O-N 3.38Å; L322-T325 PolarHBondContact O-N 3.28Å; L322-I326 HydrophobicContact CD1-CD1 4Å; L322-I326 HydrophobicContact CG-CD1 3.92Å; L322-I326 WeakPolarHBondContact O-CD1 3.24Å; L322-I326 VanDerWaalsContact O-CG1 3.23Å; L322-I326 WeakPolarHBondContact O-CG1 3.36Å; L322-I326 PolarHBondContact O-N 2.86Å
323R81.6Confident70.3Confident165 Ų165112.7 Ų112.762%0.62358%0.583SS**Hα-helixtrans-70.3-28175.3-69.7179.870.5-90.6-5.8113.3D319 V321D319-R323 WeakPolarHBondContact O-CB 3.27Å; D319-R323 VanDerWaalsContact O-CG 3.25Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-N 3.01Å; D319-R323 WeakPolarHBondContact OD2-CD 3.28Å; V321-R323 VanDerWaalsContact C-N 3.31Å; V321-R323 PolarHBondContact O-N 2.81Å
324Q76.8Confident69.1Low125 Ų125114.4 Ų114.458%0.58460%0.6SS**Hα-helixtrans-70.4-46172.9-77.1172.1-22.300111.2R320 V321 I326 Q327R320-Q324 WeakPolarHBondContact O-CG 3.3Å; R320-Q324 PolarHBondContact O-N 3.1Å; R320-Q324 VanDerWaalsContact O-N 3.09Å; V321-Q324 WeakPolarHBondContact O-CB 3.38Å; V321-Q324 PolarHBondContact O-N 2.88Å; Q324-I326 PolarHBondContact O-N 2.68Å; Q324-Q327 PolarHBondContact O-N 3.03Å
325T70.6Confident67.8Low113 Ų113115.5 Ų115.569%0.69361%0.61SS**Hα-helixtrans-67.9-11.4178.7-55.10000114.3V321 L322V321-T325 PolarHBondContact O-N 3.49Å; V321-T325 PolarHBondContact O-OG1 3.1Å; L322-T325 PolarHBondContact O-N 3.28Å
326I63.2Low66.5Low124 Ų124118 Ų11864%0.63662%0.624SS**THydrogen-bonded Turntrans-100.5-2.2-178.7-69.8171.1000112.7L322 Q324L322-I326 HydrophobicContact CD1-CD1 4Å; L322-I326 HydrophobicContact CG-CD1 3.92Å; L322-I326 WeakPolarHBondContact O-CD1 3.24Å; L322-I326 VanDerWaalsContact O-CG1 3.23Å; L322-I326 WeakPolarHBondContact O-CG1 3.36Å; L322-I326 PolarHBondContact O-N 2.86Å; Q324-I326 PolarHBondContact O-N 2.68Å
327Q51.8Low65.4Low143 Ų143116.9 Ų116.967%0.66863%0.625SS**SBendtrans-69142.7172.1-67.6-151.1121.300111.9Q324Q324-Q327 PolarHBondContact O-N 3.03Å
328P55Low63.6Low95 Ų95116.8 Ų116.862%0.61764%0.641SS**  trans-75.1131170.830.8-32.7000110.8D330P328-D330 PolarHBondContact O-N 3.3Å
329E50.8Low62.3Low177 Ų177121 Ų12183%0.82767%0.673SS**G310 helixtrans-77.427.6-179.4-64.2-80.4121.500113.3
330D54.7Low60.8Low139 Ų139125.4 Ų125.474%0.74369%0.691SS**G310 helixtrans-77.8-21.6-171.4-76-54.3000114P328P328-D330 PolarHBondContact O-N 3.3Å
331D56.7Low58.8Low146 Ų146121.6 Ų121.678%0.78170%0.7SS**G310 helixtrans-982.7-166.6-107.6-18.1000115.4
332Q50.5Low57Low164 Ų164127.6 Ų127.677%0.76672%0.724SS**  trans-119.46-177.4-69.7-63.3-80.600115.5S334Q332-S334 PolarHBondContact O-N 3.3Å
333A50Low55.2Low84 Ų84130.8 Ų130.869%0.69474%0.741SS**  trans-74.544.5163.900000112.3T335A333-T335 PolarHBondContact O-N 3.08Å
334S55.5Low53.5Low92 Ų92129.4 Ų129.464%0.64375%0.746SS**  trans-63.8104172.6-79.10000109.4Q332 S336Q332-S334 PolarHBondContact O-N 3.3Å; S334-S336 PolarHBondContact O-N 2.96Å
335T54.1Low51.7Low120 Ų120132.8 Ų132.874%0.73676%0.759SS**  trans-7667-176.5580000112A333 T337A333-T335 PolarHBondContact O-N 3.08Å; T335-T337 PolarHBondContact O-N 3.39Å
336S48.9Very low50.5Low121 Ų121133.5 Ų133.585%0.84676%0.759SS**  trans-74.166.2165.1-65.60000110.3S334 A338S334-S336 PolarHBondContact O-N 2.96Å; S336-A338 PolarHBondContact O-N 3.13Å
337T55.3Low49.5Very low116 Ų116136.4 Ų136.471%0.71277%0.77SS**  trans-70.2124.4172.149.60000110.3T335T335-T337 PolarHBondContact O-N 3.39Å
338A47Very low49.3Very low96 Ų96137 Ų13779%0.79378%0.777SS**  trans3797.7155.300000117.4S336S336-A338 PolarHBondContact O-N 3.13Å
339S51.3Low48.9Very low122 Ų122139.4 Ų139.485%0.85379%0.79SS**  trans-84.2133.3140-174.30000107.6
340E50Low48.5Very low184 Ų184138.3 Ų138.386%0.8679%0.79SS**  trans-65.2163.2168.6-71.4169.9104.300111
341G43.7Very low47.9Very low74 Ų74140.7 Ų140.776%0.76380%0.797SS**  trans-169.364.9-179.200000112.2
342E45.7Very low46.8Very low189 Ų189140.6 Ų140.688%0.88380%0.796SS**  trans-144.861174.859.3177.591.900114.7
343D45.7Very low46.1Very low157 Ų157135.9 Ų135.984%0.8479%0.785SS**  trans-129.196.4159.959.3-48.7000112.6
344N46.2Very low45.5Very low137 Ų137138.2 Ų138.273%0.73379%0.791SS**  trans-82.3120.6167.4163.9111.4000109.3
345F39.8Very low44.5Very low195 Ų195138.2 Ų138.286%0.85580%0.796SS**  trans-157.2156.8150.4-96.1-61.5000113.2
346D44.1Very low43.6Very low128 Ų128143.7 Ų143.768%0.68480%0.804SS**  trans-70.2142.4-168.4-48.9-120.5000115.1
347Q43Very low43.3Very low186 Ų186143.9 Ų143.987%0.86980%0.802SS**  trans-156.2131.6138.4-145.3101.3130.100112
348D47.1Very low42.3Very low154 Ų154142.2 Ų142.282%0.82480%0.8SS**  trans-58138.3158.8-75.8-143000110.9
349V47.3Very low42.2Very low146 Ų146143.6 Ų143.689%0.88580%0.801SS**  -147148.8127.1-74.40000110.4
350D41Very low41.4Very low155 Ų155142.1 Ų142.183%0.82980%0.796SS**  trans-80.8148.8165.1-170-93.6000109.8
351E42.3Very low40.6Very low188 Ų188138.1 Ų138.188%0.87979%0.788SS**  trans-174.8153.6131.5-163.3159.9105.500112.1
352D33.8Very low40.2Very low145 Ų145141.6 Ų141.678%0.77579%0.788SS**  trans-52.3168.4-168.4-164.531.3000121.3
353A37Very low39.6Very low64 Ų64140.2 Ų140.253%0.52978%0.782SS.*  trans13.6147.6156.600000121.8
354T35.8Very low39Very low134 Ų134141.8 Ų141.882%0.82278%0.781SS**  cis-166.2162.242.8-35.50000113.3
355A36.1Very low38.7Very low91 Ų91141.3 Ų141.375%0.75279%0.786SS**  trans71.48215200000120.6
356R34.4Very low38.3Very low236 Ų236135.9 Ų135.989%0.89178%0.777SS**  trans-55.5162.4136.8-117-179.9159.9-179.6-5.6110.4
357P42.5Very low37.9Very low124 Ų124138.1 Ų138.181%0.80579%0.788SS**  -143.9160.750.338.8-19.2000118.2
358A35.1Very low37.4Very low82 Ų82134.9 Ų134.968%0.67879%0.786SS**  trans-105.5148.2159.700000109.6
359P44.8Very low36.8Very low124 Ų124135.8 Ų135.881%0.80579%0.789SS**  -149.8170.6106.438.9-23.6000114.9
360A34.5Very low36.2Very low91 Ų91136.7 Ų136.775%0.75279%0.788SS**  cis-169.4145.8-3100000111.2
361S33.3Very low35.9Very low100 Ų100136.3 Ų136.370%0.69978%0.781SS**  trans32.4123.8142.4-165.50000122.1
362L34.2Very low35.3Very low147 Ų147132 Ų13277%0.7778%0.778SS**  -162.8116.9114.5-13079.9000115.7
363Q33.8Very low35.3Very low161 Ų161132.2 Ų132.275%0.75277%0.774SS**  trans40.1111137.5-60.7176.82.400123.7
364K33.8Very low35.3Very low189 Ų189134.8 Ų134.882%0.82279%0.785SS**  50.7126107.3-164.5159.3-176.6175.10118.5
365P39.7Very low35.2Very low127 Ų127136.4 Ų136.483%0.82579%0.788SS**  -135.4152.47938.2-25.2000116.9
366A31Very low35.2Very low81 Ų81139.6 Ų139.667%0.66979%0.792SS**  trans-105.4145.7162.900000108.9
367L34.9Very low35.1Very low175 Ų175132.4 Ų132.492%0.91678%0.783SS**PPolyproline II helixtrans-102.6145.9173-74.3174.4000111.2
368S32.6Very low35.4Very low118 Ų118132.3 Ų132.383%0.82578%0.782SS**PPolyproline II helixtrans-86123.3-165.9-48.10000112.8
369I35.1Very low35.1Very low173 Ų173135.9 Ų135.989%0.88778%0.784SS**PPolyproline II helixtrans-78.3124.9156.8-66.2177.2000107.4
370L34.9Very low34.6Very low165 Ų165136.6 Ų136.686%0.86478%0.781SS**PPolyproline II helixtrans-84.6121.8-171.6-146.3163.6000110.7
371Q33.9Very low34.4Very low147 Ų147136.2 Ų136.269%0.68777%0.773SS**PPolyproline II helixtrans-69.5136.8-177.5178.4-177500113Q373Q371-Q373 HydrophobicContact CG-CG 4.25Å; Q371-Q373 VanDerWaalsContact NE2-NE2 3.19Å
372A29.8Very low34.5Very low98 Ų98138 Ų13881%0.8177%0.773SS**  trans-125.5130.9159.400000108.6
373Q35Very low34.2Very low149 Ų149138.2 Ų138.270%0.69677%0.77SS**PPolyproline II helixtrans-95145.6-172.2-66.8-168.412.600113.3Q371Q371-Q373 HydrophobicContact CG-CG 4.25Å; Q371-Q373 VanDerWaalsContact NE2-NE2 3.19Å
374P36.9Very low34Very low118 Ų118139.8 Ų139.877%0.76678%0.777SS**PPolyproline II helixtrans-78.7126.9156.832.6-30.1000110.2
375L33.6Very low33.9Very low168 Ų168134.8 Ų134.888%0.8877%0.771SS**PPolyproline II helixtrans-86.2132.2174.5-164.678.3000110.5
376L34.4Very low33.3Very low159 Ų159133.3 Ų133.383%0.83277%0.77SS**PPolyproline II helixtrans-78.6125.7178.1-65.5172.6000110.3
377A32.7Very low33.6Very low85 Ų85136.6 Ų136.670%0.70278%0.775SS**  80.616988.800000113.5
378P49.2Very low33.8Very low121 Ų121134.5 Ų134.579%0.78677%0.772SS**  cis-125.8-170.3-9.342.4-27.6000113
379H29.4Very low34Very low157 Ų157136 Ų13673%0.72777%0.77SS**  165.9125.2117.3-161-137.7000113.6
380L34.3Very low33.9Very low139 Ų139133.5 Ų133.573%0.72877%0.768SS**  trans61.2151164.8-62.3176.4000120.2
381S30.4Very low33.7Very low83 Ų83129.2 Ų129.258%0.5876%0.763SS**  cis-171.4151.8-32.8-141.50000111.3
382I34.6Very low33.4Very low139 Ų139128.7 Ų128.771%0.71377%0.77SS**  trans43.2127.9136-70175.6000118.5
383Q29Very low33.5Very low151 Ų151132.2 Ų132.271%0.70677%0.774SS**  cis-167.2170.83.6-115.8-175.5129.400109
384H29.9Very low33.5Very low194 Ų194129.9 Ų129.990%0.89878%0.78SS**  -174.8123.8123.1-97.6-63.6000112.7
385A30.4Very low33.3Very low83 Ų83128.7 Ų128.769%0.68678%0.781SS**  trans-98.6164.6165.900000109.2
386A27.5Very low33.8Very low97 Ų97126.2 Ų126.280%0.80278%0.775SS**  cis-157.9-179.3-6.200000109.7
387L37.6Very low34.6Very low149 Ų149124.3 Ų124.378%0.7877%0.772SS**  trans-66.3168.7174.7-66163.7000113.3
388P39.3Very low35.3Very low132 Ų132126.5 Ų126.586%0.85778%0.779SS**  -130177.699.538.5-31.9000114.8
389L36.1Very low34.8Very low148 Ų148125.5 Ų125.578%0.77578%0.781SS**  trans-123.3170.6-163.2-156.476.2000112.8
390S32.7Very low35.7Very low121 Ų121121 Ų12185%0.84678%0.777SS**  trans83134179.7-35.40000114.2
391G30.5Very low36.7Very low75 Ų75120.5 Ų120.577%0.77378%0.782SS**  cis-177.1-163.2-0.600000109
392V28.6Very low37.9Very low137 Ų137122 Ų12283%0.8379%0.79SS**  cis-165.7175-4.973.30000108.9
393L31.3Very low38.7Very low171 Ų171120.9 Ų120.990%0.89579%0.791SS**  trans71.7159.5172.8-85.5167.8000118.2
394A35.5Very low39.8Very low100 Ų100119.9 Ų119.983%0.82680%0.798SS**  trans-125.7158.8-165.200000113.5
395A33.2Very low40.3Very low93 Ų93119.5 Ų119.577%0.76980%0.797SS**  trans-146.1141.5168.500000110.6
396P44.2Very low40.7Very low116 Ų116120.6 Ų120.675%0.75381%0.806SS**PPolyproline II helixtrans-82.2160.6-178.633.8-35.9000113.1
397P50.9Low41.2Very low120 Ų120123.8 Ų123.878%0.77981%0.808SS**PPolyproline II helixtrans-69.6150.1175.829.9-35.5000112.4
398P46.3Very low41.3Very low130 Ų130120.8 Ų120.884%0.84480%0.804SS**PPolyproline II helixtrans-72.3136.6-178.829.5-34.8000112.4
399A39.5Very low41.6Very low101 Ų101120.7 Ų120.784%0.83580%0.804SS**PPolyproline II helixtrans-73.2147.3177.200000112.7
400G48.1Very low41.7Very low62 Ų62118 Ų11864%0.63980%0.803SS**PPolyproline II helixtrans-73.6161.5169.500000112.9
401P54.3Low42.3Very low128 Ų128118 Ų11883%0.83180%0.8SS**PPolyproline II helixtrans-69.5145.5-179.428.9-34.9000112.6
402P56.9Low43.5Very low115 Ų115120 Ų12075%0.74780%0.8SS**PPolyproline II helixtrans-78160.3-177.632.5-36.6000113.4
403P50.8Low44.5Very low115 Ų115119.7 Ų119.775%0.74780%0.8SS**PPolyproline II helixtrans-72.5148.1175.431-35.6000112.4
404P52.3Low44.9Very low130 Ų130114.8 Ų114.884%0.84479%0.791SS**PPolyproline II helixtrans-71.2137173.530-34000111.5
405Q41Very low45.8Very low186 Ų186116.1 Ų116.187%0.86979%0.791SS**PPolyproline II helixtrans-80.3154.5178.1-68-178.6-27.500112.4
406A37.2Very low46.7Very low106 Ų106117.1 Ų117.188%0.87679%0.79SS**PPolyproline II helixtrans-75138.9173.400000111.8
407I39.7Very low46.6Very low164 Ų164117.6 Ų117.684%0.84179%0.793SS**  trans-124.9137.1173.2-68.6177.5000108.5
408A38.8Very low46.2Very low86 Ų86119.9 Ų119.971%0.71180%0.797SS**PPolyproline II helixtrans-76.2151.4-174.400000113.2
409P45.2Very low45.9Very low130 Ų130118.7 Ų118.784%0.84479%0.79SS**PPolyproline II helixtrans-76.5135.2176.431-34.3000112.5
410A38.4Very low45.4Very low92 Ų92120.5 Ų120.576%0.7679%0.785SS**PPolyproline II helixtrans-90.3162.3170.100000111.2
411P45.9Very low44.6Very low120 Ų120125.6 Ų125.678%0.77979%0.792SS**PPolyproline II helixtrans-79156.3-162.831.3-36.4000114.8
412P55.9Low43.7Very low119 Ų119125.5 Ų125.577%0.77379%0.789SS**PPolyproline II helixtrans-76.4144.2176.931.7-35.2000112.7
413P49.2Very low42.8Very low130 Ų130125.6 Ų125.684%0.84479%0.79SS**PPolyproline II helixtrans-72.9145.1169.730.9-34.1000111.8
414G40.3Very low41.9Very low67 Ų67124.3 Ų124.369%0.69179%0.788SS**PPolyproline II helixtrans-85.1167.9-175.200000115.8
415P53.4Low41Very low128 Ų128124.2 Ų124.283%0.83179%0.785SS**PPolyproline II helixtrans-92.9135.6-174.134.7-33.9000115
416P53.1Low40.5Very low115 Ų115123.3 Ų123.375%0.74778%0.781SS**PPolyproline II helixtrans-88.7169160.635.2-30.2000111.5
417P41.4Very low40.3Very low126 Ų126123.8 Ų123.882%0.81877%0.773SS**  -108.7172.7-122.56.315.5000117.5
418L42.8Very low39.7Very low167 Ų167123.8 Ų123.887%0.87477%0.769SS**  trans-61.6161.2164.8-63.9170.4000112.2
419P39.3Very low40.2Very low106 Ų106124.2 Ų124.269%0.68877%0.765SS**  -141.8141109.334.8-21.6000115.6
420L28.6Very low39.6Very low138 Ų138123.3 Ų123.372%0.72376%0.757SS**  trans59.6136.7143.1-78.949.4000118.9
421H31.4Very low39.3Very low170 Ų170124.7 Ų124.779%0.78776%0.756SS**  cis-147162.45.8-90.9121.7000110.7
422T35.4Very low38.5Very low126 Ų126126 Ų12677%0.77375%0.754SS**  trans-111.2166.5160.667.70000109
423P39.2Very low37.2Very low117 Ų117123.6 Ų123.676%0.7675%0.745SS**  -13117264.724.3-0.2000112.6
424A31.2Very low36.4Very low87 Ų87126 Ų12672%0.71975%0.745SS**  cis77145.631.600000113.7
425V32.8Very low35.8Very low128 Ų128127.2 Ų127.278%0.77675%0.747SS**  cis-166.5-171.2-8.8116.30000108.1
426Q30.8Very low34.8Very low167 Ų167126 Ų12678%0.7875%0.748SS**  trans86.7122.9162.8-124.5164.6-68.700116.2
427V33.3Very low33.8Very low117 Ų117126.5 Ų126.571%0.70975%0.749SS**  cis90.4140.812.1-161.10000116.3
428Q26.4Very low33.3Very low164 Ų164126 Ų12677%0.76675%0.749SS**  trans100.6158.9159.9-67.7-49.97.800120.5
429P49.3Very low32.7Very low95 Ų95126 Ų12662%0.61774%0.744SS**  cis-147.7-177.1-27.638.5-19.2000117.8
430T34.1Very low33.1Very low111 Ų111126.2 Ų126.268%0.68175%0.745SS**  trans73143153.9-30.80000115.8I432T430-I432 HydrophobicContact CG2-CD1 4.05Å; T430-I432 HydrophobicContact CG2-CG1 4.44Å
431V31.2Very low33.4Very low121 Ų121124.6 Ų124.673%0.73375%0.745SS**  cis-150.4125.746.9176.10000108.3
432I30.5Very low33.5Very low146 Ų146122.1 Ų122.175%0.74974%0.742SS**  49.2127.6100.3-49.2159.7000112.3T430T430-I432 HydrophobicContact CG2-CD1 4.05Å; T430-I432 HydrophobicContact CG2-CG1 4.44Å
433A27.6Very low33.4Very low69 Ų69122.8 Ų122.857%0.5774%0.74SS**  cis-158.2-169.823.900000114
434H31.7Very low32.9Very low182 Ų182126.2 Ų126.284%0.84375%0.745SS**  trans4.6156.8149.6-43.6-53.1000121.3
435A27.8Very low33Very low91 Ų91126.4 Ų126.475%0.75274%0.741SS**  cis177.1-168-17.700000107.7
436A32Very low32.9Very low102 Ų102126.5 Ų126.584%0.84374%0.741SS**  trans78.4118.6159.400000120.1
437V34.1Very low32.7Very low127 Ų127122.4 Ų122.477%0.7773%0.731SS**  trans-66.1150.3161.8168.10000111.2
438S30.2Very low32.5Very low116 Ų116124.8 Ų124.881%0.81173%0.734SS**  trans-152.2134150-156.70000114.1
439H30.7Very low32.7Very low165 Ų165123.6 Ų123.676%0.76474%0.738SS**  trans-126.1178.2161.8-64.7-90.4000105.8
440P47.8Very low32Very low112 Ų112126.9 Ų126.973%0.72775%0.75SS**  cis-131.9-159.4-24241.3000111.7
441S34.4Very low32.3Very low103 Ų103127.4 Ų127.472%0.7276%0.755SS**  trans98.7129.8133.1-76.60000124.1
442V32.3Very low32.2Very low119 Ų119126.1 Ų126.172%0.72176%0.757SS**  trans78.899136.11770000120.9
443I33.8Very low32Very low140 Ų140125.6 Ų125.672%0.71876%0.756SS**  20.3129.9123.8-49.5171.5000118.3
444H29.9Very low32.3Very low188 Ų188129.4 Ų129.487%0.8776%0.762SS**  trans-147.1170.8135.8-104.786.1000110.3
445S32.8Very low32.5Very low91 Ų91128 Ų12864%0.63675%0.753SS**  trans-150.6179.7-154.859.80000114.9
446V29.6Very low32.9Very low130 Ų130131.8 Ų131.879%0.78876%0.755SS**  trans86.6139.5154.2165.50000119.9
447S26.9Very low33Very low81 Ų81134 Ų13457%0.56675%0.752SS**  trans88.795.1157-70.90000124.4
448H29.6Very low33Very low167 Ų167131.4 Ų131.477%0.77374%0.744SS**  87.3136.8111.7-60.8-33.4000125.1
449T29.6Very low33.2Very low139 Ų139134.3 Ų134.385%0.85374%0.744SS**  trans73.4120.2142.745.40000123.5
450L35.4Very low33.4Very low164 Ų164133.7 Ų133.786%0.85975%0.745SS**  trans-59.5163.3155.1-65.1170.6000111.4
451P41Very low32.7Very low122 Ų122132.6 Ų132.679%0.79275%0.745SS**  -158.4-167.354.144.9-22000119.4
452A29.1Very low33.1Very low94 Ų94133.6 Ų133.678%0.77775%0.749SS**  trans73.8131.4167.600000117.9
453N26.2Very low33Very low136 Ų136133.1 Ų133.173%0.72775%0.751SS**  cis105.4121.918.4-178-63.2000113.7
454H34.2Very low33.7Very low148 Ų148132.4 Ų132.469%0.68576%0.756SS**  trans172.1145.2146.8-88-0.9000108.9
455K35.3Very low33.6Very low152 Ų152126.9 Ų126.966%0.66175%0.749SS**  cis-160.4139.7-5.9-99.1156.6179.1163.80108.8
456H35Very low34.6Very low172 Ų172128.9 Ų128.980%0.79676%0.76SS**  trans41.6156147-62.4-103.6000121.4
457L34.2Very low34.6Very low148 Ų148127.6 Ų127.678%0.77576%0.763SS**  cis-161.8157.128.7-166.869.9000112.7
458A34.8Very low34.7Very low72 Ų72128.6 Ų128.660%0.59577%0.77SS**  trans66.5120158.300000120.3
459H35.5Very low34.7Very low177 Ų177125.8 Ų125.882%0.81977%0.769SS**  86.7132.356.4-65.6-31.3000112.3
460I35Very low35.1Very low153 Ų153125.8 Ų125.879%0.78577%0.769SS**  cis-146.8132.45-42.1171.4000105.1
461A31.2Very low35.2Very low88 Ų88123.8 Ų123.873%0.72777%0.766SS**  57.315466.800000115.9
462P42.8Very low34.9Very low124 Ų124126.8 Ų126.881%0.80577%0.77SS**  cis-130.3-176.3-4.342-24.8000116.4
463S31.3Very low35.9Very low110 Ų110127.3 Ų127.377%0.76977%0.765SS**  trans-69.9-171.6164.5-139.90000111.8
464P48.1Very low36Very low125 Ų125128.9 Ų128.981%0.81277%0.77SS**  cis-144.8-173.2744.8-25.5000117.5
465G28.5Very low35.8Very low71 Ų71126.5 Ų126.573%0.73278%0.776SS**  trans134.2137.9137.500000117.7
466P54.4Low35.5Very low134 Ų134124.1 Ų124.187%0.8779%0.785SS**  trans-117.1162.7-179.441.2-32000114.6
467A28.2Very low35.4Very low102 Ų102120.4 Ų120.484%0.84378%0.784SS**  trans-170.3152.4140.600000114.1
468S29.1Very low35.2Very low103 Ų103118.4 Ų118.472%0.7279%0.788SS**  trans-66.5156.5166.1165.90000113.2
469S30.4Very low35Very low108 Ų108119.7 Ų119.776%0.75580%0.799SS**  154.8143.9117.7-64.70000114.3
470T37.3Very low34.8Very low138 Ų138115.7 Ų115.785%0.84780%0.797SS**  trans-72.7156.916426.50000111.8
471P38.7Very low35.4Very low123 Ų123113.7 Ų113.780%0.79979%0.794SS**  -146.5164.4117.239.5-25.6000115.9
472Q34.5Very low35.4Very low185 Ų185115.7 Ų115.786%0.86480%0.797SS**  trans-93.7176.3157.1-87.7-158.3-24.700109.1
473P48.6Very low34.9Very low105 Ų105116.9 Ų116.968%0.68280%0.802SS**  cis-157.1-160.133.845.3-21.2000118.5
474M29.1Very low34.9Very low168 Ų168115.8 Ų115.883%0.82880%0.799SS**  trans80.598.6149.4-76.6174.868.200123.3
475A30.4Very low34.2Very low98 Ų98115.7 Ų115.781%0.8180%0.797SS**  53.1122.7109.200000123.8
476A29.2Very low34.4Very low103 Ų103120.4 Ų120.485%0.85180%0.8SS**  trans170.416913900000110.5
477A31.1Very low33.3Very low93 Ų93121.6 Ų121.677%0.76979%0.794SS**  cis-172.8161.8-44.800000109.5
478A30.8Very low33.5Very low106 Ų106123.5 Ų123.588%0.87678%0.784SS**  trans66.9157.6167.700000117.3
479A30.5Very low33.6Very low100 Ų100125.5 Ų125.583%0.82679%0.786SS**  cis-149.1172.6-600000111.8
480A31.3Very low33.6Very low93 Ų93124.9 Ų124.977%0.76979%0.787SS**  trans-94.9-159.2172.300000110.3
481P47.8Very low33.5Very low110 Ų110127 Ų12771%0.71479%0.787SS**  cis-149.2176.82042.3-18.8000120
482V30.6Very low33.8Very low131 Ų131126.4 Ų126.479%0.79478%0.784SS**  trans43.8128.9155-65.90000123.9
483T32.8Very low33.9Very low148 Ų148125.3 Ų125.391%0.90878%0.782SS**  -161.2158.9105.419.70000111.9
484A32.1Very low33.1Very low87 Ų87123.3 Ų123.372%0.71978%0.781SS**  trans-86.9178.8179.300000111.6
485T32.4Very low33.4Very low124 Ų124123.7 Ų123.776%0.76178%0.78SS**  cis-158.8158.820.5-30.60000112.1
486H32.2Very low33.7Very low170 Ų170126.6 Ų126.679%0.78778%0.78SS**  trans-11.7140165.7-72.387.5000120.9
487Q31.5Very low34.1Very low159 Ų159127.3 Ų127.374%0.74377%0.774SS**  -170.4146113.3-102.1-68.16500115.7
488H32.8Very low34.3Very low141 Ų141128.6 Ų128.665%0.65377%0.772SS**  trans38.7120.2156-92.1-139.6000125.8
489I30.7Very low34.3Very low145 Ų145132.2 Ų132.274%0.74477%0.771SS**  36.1110.2123.4-47.6175.6000120
490A32Very low35.3Very low96 Ų96133 Ų13379%0.79377%0.767SS**  trans-175.9155.9130.500000112.1
491Q34.2Very low35.2Very low181 Ų181135.7 Ų135.785%0.84677%0.774SS**  trans-106.1159.9157.4-55.6-169.1-11.900108.8
492P45.8Very low34.5Very low111 Ų111134.1 Ų134.172%0.72177%0.77SS**  -145.9158.980.635.8-17.1000116.7
493I35.4Very low34.7Very low163 Ų163136.2 Ų136.284%0.83677%0.771SS**  trans35.5130134.4-50.8166.6000118.2
494G32.3Very low34.9Very low63 Ų63137.2 Ų137.265%0.64977%0.77SS**  cis153.2125.21.400000111.2
495H34.6Very low34.7Very low175 Ų175137 Ų13781%0.8178%0.776SS**  trans-100.4134.3-179.447.3-94.3000110.6
496I37.6Very low34.7Very low159 Ų159135.7 Ų135.782%0.81578%0.778SS**  trans-106.4105.5-178.6-50.8178.3000109.5
497T37.1Very low35.4Very low119 Ų119132.7 Ų132.773%0.7377%0.774SS**  trans-108.1134.7166.5-620000108.3
498V34.9Very low35.5Very low120 Ų120133.1 Ų133.173%0.72778%0.78SS**  trans-100.6127.4-170.3-74.40000113
499H32.2Very low35.5Very low182 Ų182130.9 Ų130.984%0.84379%0.786SS**  trans-146.9159.5163.7-84.2-61.9000111.2
500P51.7Low35.6Very low116 Ų116129.9 Ų129.975%0.75379%0.792SS**  trans-111.9162.5-154.440.5-33.8000116.1
501V29.3Very low35.6Very low150 Ų150133.7 Ų133.791%0.90979%0.793SS**  trans-142.5155.3166172.90000108.9
502A32.6Very low35.7Very low77 Ų77132.2 Ų132.264%0.63679%0.79SS**  trans-130.4157178.100000112
503H35.7Very low35.7Very low175 Ų175132 Ų13281%0.8179%0.788SS**  171.2135128.6-97.4-75.2000114.4
504L35.5Very low35.5Very low169 Ų169130 Ų13089%0.88578%0.784SS**  trans53.6128.2143.1-66.7162.6000122.8
505G28.2Very low35.8Very low82 Ų82134.9 Ų134.985%0.84580%0.795SS**  trans166.5123.1161.700000112.8
506A32.1Very low35.8Very low97 Ų97136.9 Ų136.980%0.80280%0.796SS**  trans-127.7-179.3-176.300000109.8
507P46.7Very low36.4Very low107 Ų107134.8 Ų134.870%0.69579%0.793SS**  cis-145.4-169.312.644.5-24.3000117.3
508L33.5Very low36.3Very low167 Ų167137.7 Ų137.787%0.87480%0.798SS**  trans72146.2162.4-65.4174.8000117.9
509A33.2Very low36.6Very low94 Ų94135.2 Ų135.278%0.77780%0.797SS**  cis-146.5162.3-7.500000111.2
510S33.1Very low37Very low124 Ų124133 Ų13387%0.86780%0.796SS**  trans-116149.9176.250.20000111.7
511H31.2Very low36.4Very low176 Ų176133.5 Ų133.582%0.81580%0.799SS**  trans-139.3121.4176.5-173.8-79.7000111.5
512L37.6Very low36.6Very low151 Ų151132.8 Ų132.879%0.79180%0.795SS**  trans-108.3140.3171.8-91.6166.6000109.6
513P45Very low36.9Very low105 Ų105135.7 Ų135.768%0.68281%0.805SS**  trans-89.6108.8161.932.5-26.4000110.2
514T31.1Very low37Very low123 Ų123135.5 Ų135.576%0.75580%0.804SS**  trans-80.1132.5168-57.40000109.7
515L40.1Very low37.5Very low165 Ų165133.1 Ų133.186%0.86480%0.799SS**  trans-129.6141.4168.3-74.8173.8000110.3
516Y34.4Very low37.8Very low217 Ų217134.8 Ų134.885%0.85179%0.793SS**PPolyproline II helixtrans-86.7151.8-174.5-125.7-107.8000111.6
517P50.3Low38.1Very low114 Ų114137.6 Ų137.674%0.7479%0.791SS**PPolyproline II helixtrans-77.9141.5176.931.2-35.1000112.9
518Q33Very low38Very low181 Ų181136.1 Ų136.185%0.84678%0.78SS**PPolyproline II helixtrans-99127.2166.6-175.978.78.600108.6
519G41.9Very low38Very low68 Ų68131 Ų13170%0.70177%0.768SS**PPolyproline II helixtrans-88.9139.4179.400000113.7
520V40.3Very low38.3Very low134 Ų134133.1 Ų133.181%0.81276%0.762SS**  trans-154.9152.3161.6-102.20000109
521P39.3Very low38.5Very low128 Ų128133.4 Ų133.483%0.83175%0.752SS**  trans-80.8154.1-160.431-36.6000115.3
522V34.7Very low38.5Very low135 Ų135131 Ų13182%0.81875%0.75SS**  trans-111.9129.6174.4170.10000110.2
523T37.8Very low38.5Very low137 Ų137132.1 Ų132.184%0.8475%0.751SS**  trans-82.3138.8167.341.20000111.1
524Q38.4Very low38Very low172 Ų172133.6 Ų133.680%0.80476%0.758SS**  trans-81.1160.9179-58.4-169.251.200111.9
525P45.7Very low38.2Very low118 Ų118136 Ų13677%0.76676%0.758SS**  -136.4147.885.915.77.1000116.8
526T33.7Very low37.6Very low118 Ų118134.2 Ų134.272%0.72475%0.754SS**  26.8130.7113.5-44.40000117.9
527M39.7Very low37.5Very low156 Ų156131 Ų13177%0.76875%0.747SS**  cis-162.6167.9-2.6176.8174.677.500111.4
528V45.3Very low36.6Very low75 Ų75134.3 Ų134.346%0.45575%0.752SS.*  trans-37.4151.1167.2-173.40000116.2H530V528-H530 WeakPolarHBondContact CG1-CE1 3.15Å; V528-H530 WeakPolarHBondContact CG1-NE2 3.46Å
529G31.9Very low36.6Very low61 Ų61130 Ų13063%0.62975%0.748SS**  cis154.7170.3-6.200000116.5
530H39.6Very low36.2Very low138 Ų138134.9 Ų134.964%0.63976%0.757SS**  trans37.2128.6156.148.1-125.6000124.5V528V528-H530 WeakPolarHBondContact CG1-CE1 3.15Å; V528-H530 WeakPolarHBondContact CG1-NE2 3.46Å
531I37.2Very low36.3Very low129 Ų129134.4 Ų134.466%0.66276%0.757SS**  trans-145138137.7-54.7-178.5000108.8
532T32.7Very low35.9Very low126 Ų126135.6 Ų135.677%0.77375%0.75SS**  trans-139.6133.8171.1-62.30000110.3
533H37.4Very low35.7Very low175 Ų175135.4 Ų135.481%0.8175%0.75SS**  trans-136.7158.1167.5-80.2-81000111.6
534T34Very low35.3Very low136 Ų136136.1 Ų136.183%0.83474%0.743SS**  trans-105.1168.5-163.940.50000114.6
535F35.4Very low34.8Very low172 Ų172132.9 Ų132.975%0.75475%0.746SS**  trans-66.7152.1-174.3-92-112.9000115.2H537F535-H537 AromaticContact CD1-CD2 3.79Å; F535-H537 AromaticContact CD1-NE2 3.52Å; F535-H537 AromaticContact CE1-NE2 3.7Å
536T26.4Very low33.9Very low128 Ų128131 Ų13179%0.78575%0.748SS**  trans-136.8124.2148-61.40000109.4
537H32.3Very low33.8Very low151 Ų151130.6 Ų130.670%0.69976%0.756SS**  trans-88.8143.3170.8-79.7-94.8000110.8F535F535-H537 AromaticContact CD1-CD2 3.79Å; F535-H537 AromaticContact CD1-NE2 3.52Å; F535-H537 AromaticContact CE1-NE2 3.7Å
538H31.9Very low33.3Very low183 Ų183132.7 Ų132.785%0.84776%0.764SS**  trans-138.1141.8156.5-92.852.3000108.5
539A32.8Very low32.5Very low91 Ų91133.7 Ų133.775%0.75278%0.781SS**  trans-156.5133.518000000111.1
540L33.6Very low32.4Very low170 Ų170137.3 Ų137.389%0.8979%0.785SS**  trans173.5161.9159.8-120.582.5000107.7
541P42.4Very low32.1Very low124 Ų124137.4 Ų137.481%0.80580%0.796SS**  cis-122.8-164.1-29.737.4-20.6000111.8
542H31.5Very low31.8Very low152 Ų152138.9 Ų138.970%0.70481%0.805SS**  trans-132.5132-174.3159.695.5000113.3
543V30.6Very low31.6Very low132 Ų132137 Ų13780%0.881%0.811SS**  trans-156.5141.5162179.70000105.6
544Q29.5Very low31.3Very low152 Ų152133.1 Ų133.171%0.7181%0.809SS**  cis120.3139-0.1-167.7177.6900113.4
545A28.3Very low31.2Very low103 Ų103135.5 Ų135.585%0.85181%0.811SS**  trans69.1147-175.800000117.1
546G26.7Very low31Very low80 Ų80133.2 Ų133.283%0.82581%0.811SS**  cis131.8102.6-1600000115.7
547A30.3Very low31.3Very low108 Ų108132.3 Ų132.389%0.89381%0.81SS**  trans-157.4160.5170.700000112.7
548Q29Very low31.1Very low200 Ų200131.2 Ų131.294%0.93582%0.819SS**  trans-131.8141.9178-72.2-172.6-31.900112.8
549A29.1Very low31.1Very low96 Ų96127.3 Ų127.379%0.79382%0.819SS**  trans-176.9125.6145.200000107
550N29.8Very low31Very low137 Ų137127 Ų12773%0.73382%0.816SS**  72.9105.550.4-17429.5000115.3
551T33Very low30.9Very low140 Ų140125.5 Ų125.586%0.85981%0.814SS**  trans-158.1149.5137.726.10000110.2
552N31.4Very low30.5Very low160 Ų160125.8 Ų125.886%0.85681%0.813SS**  trans-106.3151.8168.2-67.5-86.5000109.6
553G27.9Very low30.5Very low86 Ų86123.1 Ų123.189%0.88781%0.811SS**  trans-174.5132.4173.600000112.2
554A31.2Very low30.5Very low95 Ų95125.8 Ų125.879%0.78582%0.815SS**  trans-119.7175.2-164.500000114.4
555Q31.8Very low30.5Very low186 Ų186121.8 Ų121.887%0.86982%0.815SS**  trans74.6157.5155.4-105.5-1793.600117.1
556V32.1Very low30.7Very low123 Ų123122.6 Ų122.675%0.74581%0.814SS**  cis-138.1166.34.4-165.30000111.4
557S31.3Very low31.5Very low110 Ų110125 Ų12577%0.76982%0.815SS**  trans-61.5159.5176.5-34.50000118.6
558S28.1Very low31.8Very low127 Ų127125 Ų12589%0.88881%0.808SS**  trans-162.6157.1153.4-77.30000110.5
559A32.1Very low32.1Very low102 Ų102123.7 Ų123.784%0.84381%0.807SS**  trans-165.3166-173.700000117.2
560A30.6Very low32.2Very low85 Ų85122.1 Ų122.170%0.70280%0.8SS**  trans90.4144.8148.300000122.5
561V33Very low32.4Very low138 Ų138125.6 Ų125.684%0.83681%0.809SS**  trans61.3150.5151.7-71.20000121.5
562V33.7Very low33.1Very low130 Ų130124.4 Ų124.479%0.78880%0.803SS**  cis-169.9164.6-27.9112.80000111
563S30.9Very low33.2Very low95 Ų95123.3 Ų123.366%0.66480%0.803SS**  trans91140.9152-104.10000125.1
564Q31.5Very low33.5Very low189 Ų189123.2 Ų123.288%0.88379%0.794SS**  trans64.5150.6152.8-54.9-81.8-26.500118.7
565G29.6Very low33.4Very low68 Ų68124.5 Ų124.570%0.70179%0.791SS**  cis178.9155.1-6.600000111.8
566S31.9Very low33.4Very low120 Ų120123.4 Ų123.484%0.83979%0.791SS**  trans-99.6169.2-172.5-43.20000114.9
567P44.1Very low33.6Very low130 Ų130121.6 Ų121.684%0.84479%0.789SS**  -151-162.6101.640.3-21.1000116.7
568S35.3Very low34.3Very low108 Ų108122.5 Ų122.576%0.75579%0.792SS**  trans-92.8-170.6-167.952.70000114.7
569L36.7Very low34.5Very low172 Ų172124.4 Ų124.490%0.90179%0.786SS**  cis-174.8154.639.5-179.465.8000113.1
570G30.3Very low35.6Very low64 Ų64124 Ų12466%0.6678%0.775SS**  trans152.2141.6157.700000119.5
571K33.3Very low35.5Very low209 Ų209128.1 Ų128.191%0.90978%0.78SS**  trans-152.5161.9168.3-57.2-175.6179.7179.20109.3
572P48.9Very low35.8Very low115 Ų115129.2 Ų129.275%0.74778%0.78SS**  -159.3168.984.142.3-21.8000119
573T32.9Very low35.8Very low137 Ų137129.5 Ų129.584%0.8478%0.782SS**  trans52150139.7-58.90000123.3
574A33.5Very low35.7Very low84 Ų84128.1 Ų128.169%0.69478%0.782SS**  cis-179-171.1-30.800000110.8
575V29.8Very low35.7Very low122 Ų122128.9 Ų128.974%0.73979%0.786SS**  trans109.2108154.1-177.10000120.2
576L32.7Very low36.1Very low164 Ų164130.6 Ų130.686%0.85979%0.793SS**  trans39.6164.3140.6-78.460.1000122.2
577A35.5Very low36.2Very low85 Ų85129.9 Ų129.970%0.70280%0.795SS**  cis172.7-170.7-21.200000106.4
578P45.1Very low36.1Very low128 Ų128130.2 Ų130.283%0.83179%0.794SS**  cis-121.5-154.5-16.844.6-28.6000111.2
579H32.2Very low36.1Very low167 Ų167133 Ų13377%0.77380%0.8SS**  -167.7-147-53.9-167.7-0.8000108
580P55.3Low36Very low93 Ų93131 Ų13160%0.60479%0.79SS**  trans-85.9166.6-133.740.2-33.3000117.7
581Q29.1Very low36.8Very low172 Ų172133.3 Ų133.380%0.80479%0.793SS**  cis95.8100.56.3-171.6-159.7-37.500118.7
582L38.5Very low36.9Very low162 Ų162128.5 Ų128.585%0.84878%0.781SS**  trans-171.2147154-133.475.2000116.6
583V34Very low36.7Very low135 Ų135129 Ų12982%0.81878%0.782SS**  trans33.8142143.4166.10000123.4
584G30Very low36.9Very low66 Ų66130.7 Ų130.768%0.6878%0.783SS**  trans168.267.5150.500000124.2
585Q31Very low37.5Very low206 Ų206132.3 Ų132.396%0.96378%0.784SS**  trans57.3-177.6150.6-59.6-148.973.700120.9
586A37.7Very low38Very low103 Ų103132.8 Ų132.885%0.85179%0.787SS**  trans-135.8154.9-168.500000113.1
587A34.4Very low38.6Very low105 Ų105130.4 Ų130.487%0.86878%0.779SS**  trans-152.7146.6168.600000111.5
588V42Very low39.3Very low138 Ų138132.3 Ų132.384%0.83678%0.784SS**  trans-88.7141.6165.6171.80000108.4
589L35.2Very low39Very low167 Ų167132.4 Ų132.487%0.87478%0.783SS**  trans-175.2154.4146.5-103.9164.8000112
590N34Very low39.4Very low130 Ų130133.1 Ų133.170%0.69578%0.784SS**  trans-116.9133.9168.7170.913.5000107.4V592N590-V592 PolarHBondContact OD1-N 2.83Å
591P47.8Very low39.3Very low111 Ų111134.7 Ų134.772%0.72179%0.794SS**  trans-144.4127.1130.333.9-17.7000115.4
592V36.1Very low39.8Very low109 Ų109132.2 Ų132.266%0.66179%0.791SS**  34.4111.3116.1-179.70000117.9N590N590-V592 PolarHBondContact OD1-N 2.83Å
593T44.1Very low39.7Very low124 Ų124129.7 Ų129.776%0.76179%0.786SS**  trans42.2129.5153.464.20000121.2
594M37Very low40Very low173 Ų173129.3 Ų129.385%0.85278%0.784SS**  -153.3152125.8-102.6-52.4-78.600111.4
595V45.8Very low40.4Very low119 Ų119133.9 Ų133.972%0.72179%0.793SS**  trans-88.1132.5177.2174.20000110.3
596T40.8Very low41.1Very low132 Ų132133.1 Ų133.181%0.8179%0.786SS**  trans-137.9114.7168.4-59.50000110.3
597V46Very low41.3Very low114 Ų114136.1 Ų136.169%0.69179%0.787SS**PPolyproline II helixtrans-88.3140.1169.9-77.80000110.7
598P48.2Very low41.8Very low125 Ų125139.5 Ų139.581%0.81282%0.815SS**PPolyproline II helixtrans-74.8125.2171.7-15.631000111.9
599T40.5Very low41.8Very low130 Ų130139.6 Ų139.680%0.79881%0.814SS**PPolyproline II helixtrans-80.4134.4178.2-60.80000112.2
600F38.8Very low42.2Very low182 Ų182138.1 Ų138.180%0.79881%0.81SS**PPolyproline II helixtrans-74.2134.9169.5-76-95.7000112.4V602F600-V602 HydrophobicContact CB-CG2 4.4Å
601P54.6Low42.6Very low125 Ų125138.6 Ų138.681%0.81282%0.817SS**PPolyproline II helixtrans-86.7144.1152.433.6-29.8000110.8
602V39Very low42.3Very low121 Ų121140.2 Ų140.273%0.73382%0.822SS**  trans-128.9141.3-169.3170.90000111.9F600F600-V602 HydrophobicContact CB-CG2 4.4Å
603S36.8Very low42.7Very low108 Ų108142.1 Ų142.176%0.75583%0.832SS**  trans64.8146.7173.3-600000115.6
604T39.7Very low42.6Very low127 Ų127143.3 Ų143.378%0.77984%0.837SS**  cis-158.4166.247.942.30000112
605L39.3Very low43Very low163 Ų163141.2 Ų141.285%0.85384%0.836SS**  trans139.995.2160.6-79.7162000107.6
606K45Very low42.8Very low190 Ų190142.9 Ų142.983%0.82685%0.845SS**  84.1120.364-175.5177.4176.5-179.20112.1
607L41.6Very low43Very low165 Ų165143.8 Ų143.886%0.86485%0.848SS**  trans-65.2148.5177.6-70.871.1000112.7
608A46.1Very low42.7Very low176 Ų176146.5 Ų146.5100%1.45586%0.862SS**  trans-138.10135.900000107.3

Retrieved 608 of 608 residues in 212.2 ms (Link to these results)