A0A5K4FCK2_SCHMA Loading...

Macoilin AlphaSync

Plays a role in the regulation of neuronal activity.

AlphaFold DB , UniProt , Accession A0A5K4FCK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.6Very low50.1Low196 Ų196138 Ų13897%0.96666%0.662SS**  0-64.20-74.6-49.8-13700111D3 F4 F5M1-D3 PolarHBondContact O-N 2.74Å; M1-F4 PolarHBondContact O-N 3.47Å; M1-F4 VanDerWaalsContact O-N 3.08Å; M1-F5 PolarHBondContact O-N 2.94Å
2L47.7Very low49.9Very low128 Ų128136.1 Ų136.167%0.6765%0.649SS**Hα-helixtrans-61.1-41.3174.9-74.7164.9000112.5F4 F5 T6L2-F4 PolarHBondContact O-N 3.04Å; L2-F5 PolarHBondContact O-N 3.48Å; L2-T6 PolarHBondContact O-N 3.38Å; L2-T6 PolarHBondContact O-OG1 3.11Å
3D44.9Very low50.9Low120 Ų120133.9 Ų133.964%0.64264%0.641SS**Hα-helixtrans-61.4-3.8172.9-56.1-61.3000115.6M1M1-D3 PolarHBondContact O-N 2.74Å
4F47.9Very low51Low187 Ų187136.8 Ų136.882%0.8264%0.643SS**Hα-helixtrans-113.2-12.2176.5-156-89.4000112.3M1 L2M1-F4 PolarHBondContact O-N 3.47Å; M1-F4 VanDerWaalsContact O-N 3.08Å; L2-F4 PolarHBondContact O-N 3.04Å
5F55.5Low51.3Low184 Ų184129.8 Ų129.881%0.80762%0.615SS**Hα-helixtrans-97.2-22177.4-110.1-83.1000112.7M1 L2M1-F5 PolarHBondContact O-N 2.94Å; L2-F5 PolarHBondContact O-N 3.48Å
6T48Very low51.6Low51 Ų51125.7 Ų125.731%0.31360%0.603SS.*SBendtrans-122.6115.3167.254.10000107.9L2 L8 F10L2-T6 PolarHBondContact O-N 3.38Å; L2-T6 PolarHBondContact O-OG1 3.11Å; T6-L8 PolarHBondContact O-N 3.23Å; T6-F10 WeakPolarHBondContact OG1-CE2 3.42Å
7D47.6Very low52.6Low172 Ų172127.6 Ų127.692%0.9260%0.603SS**SBendtrans-66.625170-89.8-40.7000113.1
8L43.6Very low53.2Low121 Ų121123.8 Ų123.863%0.63459%0.587SS**SBendtrans-118.6110.4179.8-67.3169.2000107.6T6 F10T6-L8 PolarHBondContact O-N 3.23Å; L8-F10 PolarHBondContact O-N 3.04Å; L8-F10 VanDerWaalsContact O-N 3.16Å
9R59.2Low53.9Low150 Ų150121.4 Ų121.457%0.56658%0.576SS**  trans-56.9118.5164.7-100.6179.4166.492.13.7108.8E11 F12R9-E11 HydrophobicContact CB-CB 4.43Å; R9-E11 WeakPolarHBondContact CD-OE2 3.34Å; R9-E11 IonicContact NE-OE2 2.65Å; R9-E11 PolarHBondContact NE-OE2 3.45Å; R9-E11 VanDerWaalsContact NE-OE2 3.1Å; R9-E11 PolarHBondContact O-N 3.48Å; R9-F12 HydrophobicContact CB-CD2 3.58Å; R9-F12 HydrophobicContact CB-CE2 3.72Å; R9-F12 PolarHBondContact O-N 2.9Å
10F50.5Low54.4Low118 Ų118119.1 Ų119.152%0.51857%0.57SS.*THydrogen-bonded Turntrans-58-20.8174-81.2-91.3000113T6 L8 F12 I13T6-F10 WeakPolarHBondContact OG1-CE2 3.42Å; L8-F10 PolarHBondContact O-N 3.04Å; L8-F10 VanDerWaalsContact O-N 3.16Å; F10-F12 PolarHBondContact O-N 3.08Å; F10-I13 WeakPolarHBondContact O-CB 3.49Å; F10-I13 PolarHBondContact O-N 3.4Å
11E57.2Low55Low91 Ų91121.3 Ų121.343%0.42557%0.573SS.*Hα-helixtrans-55.9-34.9171.6-59.7173.815000112.7R9 I13 W14R9-E11 HydrophobicContact CB-CB 4.43Å; R9-E11 WeakPolarHBondContact CD-OE2 3.34Å; R9-E11 IonicContact NE-OE2 2.65Å; R9-E11 PolarHBondContact NE-OE2 3.45Å; R9-E11 VanDerWaalsContact NE-OE2 3.1Å; R9-E11 PolarHBondContact O-N 3.48Å; E11-I13 VanDerWaalsContact C-N 3.29Å; E11-I13 PolarHBondContact O-N 3.39Å; E11-W14 PolarHBondContact O-N 3.46Å
12F48.4Very low55.8Low115 Ų115113.2 Ų113.250%0.50453%0.534SS..Hα-helixtrans-69.2-26177.1-66.6-58.1000113R9 F10 W14 C16R9-F12 HydrophobicContact CB-CD2 3.58Å; R9-F12 HydrophobicContact CB-CE2 3.72Å; R9-F12 PolarHBondContact O-N 2.9Å; F10-F12 PolarHBondContact O-N 3.08Å; F12-W14 VanDerWaalsContact C-N 3.29Å; F12-W14 PolarHBondContact O-N 2.95Å; F12-C16 WeakPolarHBondContact O-CB 3.48Å; F12-C16 PolarHBondContact O-N 3.04Å
13I62.3Low56.6Low108 Ų108109.1 Ų109.155%0.55452%0.515SS*.Hα-helixtrans-62.6-37.8175.6-100.966.6000110.5F10 E11 W17F10-I13 WeakPolarHBondContact O-CB 3.49Å; F10-I13 PolarHBondContact O-N 3.4Å; E11-I13 VanDerWaalsContact C-N 3.29Å; E11-I13 PolarHBondContact O-N 3.39Å; I13-W17 WeakPolarHBondContact O-CB 3.33Å; I13-W17 PolarHBondContact O-N 2.94Å
14W52.7Low57.7Low174 Ų174108.4 Ų108.466%0.65951%0.511SS*.Hα-helixtrans-70.7-47-178.6-174.9-101.4000112.4E11 F12 W17 L18E11-W14 PolarHBondContact O-N 3.46Å; F12-W14 VanDerWaalsContact C-N 3.29Å; F12-W14 PolarHBondContact O-N 2.95Å; W14-W17 PolarHBondContact O-N 3.35Å; W14-L18 HydrophobicContact CD2-CD1 4.27Å; W14-L18 HydrophobicContact CZ2-CD1 4.02Å; W14-L18 PolarHBondContact O-N 3.43Å
15S55.2Low58.5Low32 Ų32104 Ų10422%0.22450%0.496CS..Hα-helixtrans-65.5-39176.5-61.70000112L18 M19S15-L18 PolarHBondContact O-N 2.85Å; S15-M19 WeakPolarHBondContact O-CB 3.32Å; S15-M19 PolarHBondContact O-N 3.23Å
16C57Low59Low64 Ų6496 Ų9643%0.43246%0.463SS..Hα-helixtrans-64.6-43172.6-171.70000111.4F12 M19 V20F12-C16 WeakPolarHBondContact O-CB 3.48Å; F12-C16 PolarHBondContact O-N 3.04Å; C16-M19 PolarHBondContact O-N 2.98Å; C16-V20 WeakPolarHBondContact O-CB 3.32Å; C16-V20 VanDerWaalsContact O-CG2 3.28Å; C16-V20 WeakPolarHBondContact O-CG2 3.39Å; C16-V20 PolarHBondContact O-N 3.24Å
17W68.2Low59.7Low158 Ų15899.1 Ų99.160%0.59847%0.472SS*.Hα-helixtrans-62.8-41.5176.4-178.6-104.8000112.4I13 W14 R21I13-W17 WeakPolarHBondContact O-CB 3.33Å; I13-W17 PolarHBondContact O-N 2.94Å; W14-W17 PolarHBondContact O-N 3.35Å; W17-R21 WeakPolarHBondContact O-CB 3.43Å; W17-R21 PolarHBondContact O-N 3.21Å
18L63.5Low60.4Low60 Ų60100.3 Ų100.331%0.31446%0.464SS..Hα-helixtrans-62.2-47.1171.8-106.180.4000111.5W14 S15 V20 R21 T22 Y121W14-L18 HydrophobicContact CD2-CD1 4.27Å; W14-L18 HydrophobicContact CZ2-CD1 4.02Å; W14-L18 PolarHBondContact O-N 3.43Å; S15-L18 PolarHBondContact O-N 2.85Å; L18-V20 PolarHBondContact O-N 3.31Å; L18-R21 WeakPolarHBondContact O-CB 3.34Å; L18-R21 PolarHBondContact O-N 3.01Å; L18-T22 PolarHBondContact O-N 2.86Å; L18-T22 PolarHBondContact O-OG1 3.37Å; L18-T22 VanDerWaalsContact O-OG1 3.13Å; L18-Y121 HydrophobicContact CD2-CE1 4.41Å
19M65.3Low61.1Low77 Ų77102.5 Ų102.538%0.37947%0.465SS..Hα-helixtrans-59.4-47.4177.7-177.2-176.568.700111.4S15 C16 R21 T22 V23S15-M19 WeakPolarHBondContact O-CB 3.32Å; S15-M19 PolarHBondContact O-N 3.23Å; C16-M19 PolarHBondContact O-N 2.98Å; M19-R21 VanDerWaalsContact C-N 3.33Å; M19-R21 PolarHBondContact O-N 3.48Å; M19-T22 PolarHBondContact O-N 3.29Å; M19-V23 HydrophobicContact CG-CG2 4.5Å; M19-V23 WeakPolarHBondContact O-CB 3.4Å; M19-V23 VanDerWaalsContact O-CG2 3.29Å; M19-V23 WeakPolarHBondContact O-CG2 3.27Å; M19-V23 PolarHBondContact O-N 2.85Å
20V65.8Low61.1Low76 Ų76101.2 Ų101.246%0.46147%0.465SS..Hα-helixtrans-62.1-39.8176.4169.70000110.9C16 L18 V23 N24C16-V20 WeakPolarHBondContact O-CB 3.32Å; C16-V20 VanDerWaalsContact O-CG2 3.28Å; C16-V20 WeakPolarHBondContact O-CG2 3.39Å; C16-V20 PolarHBondContact O-N 3.24Å; L18-V20 PolarHBondContact O-N 3.31Å; V20-V23 PolarHBondContact O-N 3.25Å; V20-N24 WeakPolarHBondContact O-CB 3.45Å; V20-N24 PolarHBondContact O-N 2.9Å
21R66.3Low61.9Low165 Ų16597.1 Ų97.162%0.62346%0.457SS*.Hα-helixtrans-61.8-44.9175-174.1179.9-179.7110.5-1.2111.8W17 L18 M19 N24 D25W17-R21 WeakPolarHBondContact O-CB 3.43Å; W17-R21 PolarHBondContact O-N 3.21Å; L18-R21 WeakPolarHBondContact O-CB 3.34Å; L18-R21 PolarHBondContact O-N 3.01Å; M19-R21 VanDerWaalsContact C-N 3.33Å; M19-R21 PolarHBondContact O-N 3.48Å; R21-N24 PolarHBondContact O-N 3.48Å; R21-D25 WeakPolarHBondContact O-CB 3.32Å; R21-D25 PolarHBondContact O-N 3.23Å
22T64.3Low62.5Low26 Ų2697.8 Ų97.816%0.1646%0.462CS..Hα-helixtrans-74.4-32-180-50.30000112.6L18 M19 S26 F38 Y121L18-T22 PolarHBondContact O-N 2.86Å; L18-T22 PolarHBondContact O-OG1 3.37Å; L18-T22 VanDerWaalsContact O-OG1 3.13Å; M19-T22 PolarHBondContact O-N 3.29Å; T22-S26 VanDerWaalsContact O-CB 3.27Å; T22-S26 WeakPolarHBondContact O-CB 3.44Å; T22-S26 PolarHBondContact O-N 3.34Å; T22-S26 PolarHBondContact O-OG 2.97Å; T22-F38 HydrophobicContact CG2-CE1 3.97Å; T22-F38 HydrophobicContact CG2-CE2 4.5Å; T22-F38 HydrophobicContact CG2-CZ 3.82Å; T22-Y121 HydrophobicContact CG2-CE2 3.89Å; T22-Y121 WeakPolarHBondContact OG1-CE2 3.42Å; T22-Y121 PolarHBondContact OG1-OH 3Å
23V64.8Low63.5Low43 Ų4396 Ų9626%0.26147%0.47SS..Hα-helixtrans-63.8-44.7168.6166.70000110.5M19 V20 S26 F27 A35 T39M19-V23 HydrophobicContact CG-CG2 4.5Å; M19-V23 WeakPolarHBondContact O-CB 3.4Å; M19-V23 VanDerWaalsContact O-CG2 3.29Å; M19-V23 WeakPolarHBondContact O-CG2 3.27Å; M19-V23 PolarHBondContact O-N 2.85Å; V20-V23 PolarHBondContact O-N 3.25Å; V23-S26 PolarHBondContact O-N 3.29Å; V23-F27 WeakPolarHBondContact O-CB 3.49Å; V23-F27 PolarHBondContact O-N 3.01Å; V23-A35 HydrophobicContact CG1-CB 4.44Å; V23-T39 WeakPolarHBondContact CG2-OG1 3.36Å
24N67.8Low63.8Low105 Ų10593.3 Ų93.356%0.56145%0.454SS*.Hα-helixtrans-64.8-38.3177.9-17665.6000112.6V20 R21 R28V20-N24 WeakPolarHBondContact O-CB 3.45Å; V20-N24 PolarHBondContact O-N 2.9Å; R21-N24 PolarHBondContact O-N 3.48Å; N24-R28 PolarHBondContact O-N 3.35Å
25D64.6Low64.6Low94 Ų9485.3 Ų85.350%0.50342%0.424SS..Hα-helixtrans-67.8-47.5174.4-163.449.3000111.4R21 F27 R28 Y29R21-D25 WeakPolarHBondContact O-CB 3.32Å; R21-D25 PolarHBondContact O-N 3.23Å; D25-F27 VanDerWaalsContact C-N 3.3Å; D25-F27 PolarHBondContact O-N 3.32Å; D25-R28 PolarHBondContact O-N 2.97Å; D25-Y29 WeakPolarHBondContact O-CD2 3.38Å; D25-Y29 PolarHBondContact O-N 3.02Å
26S66.7Low65.4Low16 Ų1688.4 Ų88.411%0.11244%0.438CS..Hα-helixtrans-59.8-38.9175.5-59.60000112.6T22 V23 R28 Q30T22-S26 VanDerWaalsContact O-CB 3.27Å; T22-S26 WeakPolarHBondContact O-CB 3.44Å; T22-S26 PolarHBondContact O-N 3.34Å; T22-S26 PolarHBondContact O-OG 2.97Å; V23-S26 PolarHBondContact O-N 3.29Å; S26-R28 VanDerWaalsContact C-N 3.26Å; S26-R28 PolarHBondContact O-N 3Å; S26-Q30 PolarHBondContact O-N 3.5Å
27F62.2Low66.2Low116 Ų11691.6 Ų91.651%0.50945%0.445SS..Hα-helixtrans-61.4-36.3176.5-173.1-91.6000111.6V23 D25 L32V23-F27 WeakPolarHBondContact O-CB 3.49Å; V23-F27 PolarHBondContact O-N 3.01Å; D25-F27 VanDerWaalsContact C-N 3.3Å; D25-F27 PolarHBondContact O-N 3.32Å; F27-L32 HydrophobicContact CD2-CB 4.17Å; F27-L32 HydrophobicContact CE2-CB 3.9Å; F27-L32 HydrophobicContact CE2-CD1 4.01Å; F27-L32 HydrophobicContact CE2-CG 4.45Å
28R62.9Low66.4Low197 Ų19784.7 Ų84.774%0.74342%0.419SS*.Hα-helixtrans-75.6-27.4-175-145.2178.6-170.5-179.42.2114.3N24 D25 S26N24-R28 PolarHBondContact O-N 3.35Å; D25-R28 PolarHBondContact O-N 2.97Å; S26-R28 VanDerWaalsContact C-N 3.26Å; S26-R28 PolarHBondContact O-N 3Å
29Y58.7Low66.7Low167 Ų16783.3 Ų83.366%0.65541%0.413SS*.Hα-helixtrans-116.8-17.7-173.5-64-71.7000115.6D25D25-Y29 WeakPolarHBondContact O-CD2 3.38Å; D25-Y29 PolarHBondContact O-N 3.02Å
30Q57.6Low67.2Low123 Ų12384.8 Ų84.858%0.57542%0.422SS*.Hα-helixtrans-138.4-0.1-171.5-147.5161.8-7.100115S26 F34S26-Q30 PolarHBondContact O-N 3.5Å; Q30-F34 HydrophobicContact CB-CB 4.02Å; Q30-F34 HydrophobicContact CB-CD1 3.71Å; Q30-F34 HydrophobicContact CB-CE1 4.39Å; Q30-F34 HydrophobicContact CB-CG 3.93Å; Q30-F34 HydrophobicContact CG-CB 3.97Å; Q30-F34 HydrophobicContact CG-CD1 3.86Å; Q30-F34 HydrophobicContact CG-CD2 4.12Å; Q30-F34 HydrophobicContact CG-CE1 4.39Å; Q30-F34 HydrophobicContact CG-CG 3.7Å
31G69Low67.5Low33 Ų3383.6 Ų83.634%0.3442%0.415SS..  trans84.2159.3172.200000115.3A33 F34 A35G31-A33 VanDerWaalsContact C-N 3.27Å; G31-A33 PolarHBondContact O-N 3.48Å; G31-A33 VanDerWaalsContact O-N 3.16Å; G31-F34 PolarHBondContact O-N 2.87Å; G31-A35 PolarHBondContact O-N 3.03Å
32L70.1Confident67.8Low104 Ų10476.2 Ų76.255%0.54539%0.389SS..Hα-helixtrans-54.8-36.7-172.9176.4139.8000114F27 F34 A35 L36F27-L32 HydrophobicContact CD2-CB 4.17Å; F27-L32 HydrophobicContact CE2-CB 3.9Å; F27-L32 HydrophobicContact CE2-CD1 4.01Å; F27-L32 HydrophobicContact CE2-CG 4.45Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 3.31Å; L32-A35 PolarHBondContact O-N 3.44Å; L32-L36 HydrophobicContact CD2-CD1 3.63Å; L32-L36 HydrophobicContact CD2-CG 4.31Å; L32-L36 HydrophobicContact CG-CD1 4.26Å; L32-L36 HydrophobicContact CG-CG 4.44Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.42Å
33A69.2Low68.2Low79 Ų7978.8 Ų78.865%0.65340%0.401SS*.Hα-helixtrans-63.4-37.9178.700000112.7G31 F37G31-A33 VanDerWaalsContact C-N 3.27Å; G31-A33 PolarHBondContact O-N 3.48Å; G31-A33 VanDerWaalsContact O-N 3.16Å; A33-F37 WeakPolarHBondContact O-CB 3.44Å; A33-F37 PolarHBondContact O-N 3.11Å; A33-F37 VanDerWaalsContact O-N 3.08Å
34F68.7Low68.5Low51 Ų5182.5 Ų82.522%0.22442%0.417CS..Hα-helixtrans-71.7-39.8176.6-174.2-98.8000111.4Q30 G31 L32 F37 F38 F128Q30-F34 HydrophobicContact CB-CB 4.02Å; Q30-F34 HydrophobicContact CB-CD1 3.71Å; Q30-F34 HydrophobicContact CB-CE1 4.39Å; Q30-F34 HydrophobicContact CB-CG 3.93Å; Q30-F34 HydrophobicContact CG-CB 3.97Å; Q30-F34 HydrophobicContact CG-CD1 3.86Å; Q30-F34 HydrophobicContact CG-CD2 4.12Å; Q30-F34 HydrophobicContact CG-CE1 4.39Å; Q30-F34 HydrophobicContact CG-CG 3.7Å; G31-F34 PolarHBondContact O-N 2.87Å; L32-F34 VanDerWaalsContact C-N 3.33Å; L32-F34 PolarHBondContact O-N 3.31Å; F34-F37 PolarHBondContact O-N 3.11Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 3.32Å; F34-F128 HydrophobicContact CE2-CE1 4.41Å; F34-F128 HydrophobicContact CE2-CZ 4.44Å; F34-F128 AromaticContact CZ-CE1 3.77Å; F34-F128 HydrophobicContact CZ-CE1 3.77Å; F34-F128 AromaticContact CZ-CZ 3.82Å; F34-F128 HydrophobicContact CZ-CZ 3.82Å
35A68.3Low68.5Low5 Ų578.2 Ų78.24%0.04140%0.397CS..Hα-helixtrans-62.1-45.6175.700000112.2V23 G31 L32 F37 F38 T39V23-A35 HydrophobicContact CG1-CB 4.44Å; G31-A35 PolarHBondContact O-N 3.03Å; L32-A35 PolarHBondContact O-N 3.44Å; A35-F37 PolarHBondContact O-N 3.4Å; A35-F38 WeakPolarHBondContact O-CB 3.31Å; A35-F38 PolarHBondContact O-N 3.37Å; A35-T39 PolarHBondContact O-N 2.87Å; A35-T39 PolarHBondContact O-OG1 3.17Å; A35-T39 VanDerWaalsContact O-OG1 3.11Å
36L73.4Confident68.6Low98 Ų9875 Ų7551%0.51338%0.379SS..Hα-helixtrans-63.7-41175.1-72178.2000112.4L32 F38 T39 L40L32-L36 HydrophobicContact CD2-CD1 3.63Å; L32-L36 HydrophobicContact CD2-CG 4.31Å; L32-L36 HydrophobicContact CG-CD1 4.26Å; L32-L36 HydrophobicContact CG-CG 4.44Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.42Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 2.96Å; L36-T39 PolarHBondContact O-N 3.44Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 2.95Å
37F73.4Confident68.7Low131 Ų13178.1 Ų78.158%0.57539%0.394SS*.Hα-helixtrans-62.5-39.6175-179.8-94.6000111.9A33 F34 A35 T41A33-F37 WeakPolarHBondContact O-CB 3.44Å; A33-F37 PolarHBondContact O-N 3.11Å; A33-F37 VanDerWaalsContact O-N 3.08Å; F34-F37 PolarHBondContact O-N 3.11Å; A35-F37 PolarHBondContact O-N 3.4Å; F37-T41 VanDerWaalsContact O-CB 3.29Å; F37-T41 WeakPolarHBondContact O-CB 3.35Å; F37-T41 PolarHBondContact O-N 2.99Å; F37-T41 PolarHBondContact O-OG1 2.85Å
38F70.8Confident68.9Low12 Ų1277.4 Ų77.45%0.05340%0.395CS..Hα-helixtrans-61.8-50.7174.6-178.4-84.7000111.4T22 F34 A35 L36 L40 T41 A42 Y121 V124 F128T22-F38 HydrophobicContact CG2-CE1 3.97Å; T22-F38 HydrophobicContact CG2-CE2 4.5Å; T22-F38 HydrophobicContact CG2-CZ 3.82Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 3.32Å; A35-F38 WeakPolarHBondContact O-CB 3.31Å; A35-F38 PolarHBondContact O-N 3.37Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 2.96Å; F38-L40 PolarHBondContact O-N 3.35Å; F38-T41 PolarHBondContact O-N 3.47Å; F38-A42 PolarHBondContact O-N 2.95Å; F38-Y121 HydrophobicContact CE1-CD2 4.3Å; F38-Y121 HydrophobicContact CE1-CE2 4.18Å; F38-Y121 HydrophobicContact CZ-CD2 4.22Å; F38-Y121 AromaticContact CZ-CE2 3.94Å; F38-Y121 HydrophobicContact CZ-CE2 3.94Å; F38-V124 HydrophobicContact CD2-CG1 4.03Å; F38-V124 HydrophobicContact CE2-CG1 3.55Å; F38-V124 HydrophobicContact CZ-CG1 3.96Å; F38-F128 HydrophobicContact CD2-CD2 4.26Å; F38-F128 AromaticContact CD2-CE2 3.47Å; F38-F128 HydrophobicContact CD2-CE2 3.47Å; F38-F128 VanDerWaalsContact CD2-CE2 3.47Å; F38-F128 HydrophobicContact CD2-CZ 4.07Å; F38-F128 AromaticContact CE2-CD2 3.93Å; F38-F128 HydrophobicContact CE2-CD2 3.93Å; F38-F128 AromaticContact CE2-CE2 3.6Å; F38-F128 HydrophobicContact CE2-CE2 3.6Å
39T70.5Confident69Low32 Ų3269.1 Ų69.120%0.19637%0.367CS..Hα-helixtrans-61.7-44.4178.7-54.60000111.9V23 A35 L36 T41 A42 I43V23-T39 WeakPolarHBondContact CG2-OG1 3.36Å; A35-T39 PolarHBondContact O-N 2.87Å; A35-T39 PolarHBondContact O-OG1 3.17Å; A35-T39 VanDerWaalsContact O-OG1 3.11Å; L36-T39 PolarHBondContact O-N 3.44Å; T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 2.91Å; T39-A42 PolarHBondContact O-N 3.09Å; T39-I43 HydrophobicContact CG2-CD1 3.94Å; T39-I43 VanDerWaalsContact O-CG1 3.32Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.19Å
40L76.1Confident69.3Low108 Ų10867.9 Ų67.957%0.56536%0.362SS*.Hα-helixtrans-62.3-41.1174.7-73.7170.3000111.7L36 F38 I43 M44L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 2.95Å; F38-L40 PolarHBondContact O-N 3.35Å; L40-I43 PolarHBondContact O-N 3.28Å; L40-M44 VanDerWaalsContact O-CB 3.28Å; L40-M44 WeakPolarHBondContact O-CB 3.49Å; L40-M44 WeakPolarHBondContact O-CG 3.45Å; L40-M44 PolarHBondContact O-N 3.47Å
41T73Confident69.6Low50 Ų5070.5 Ų70.531%0.30737%0.372SS..Hα-helixtrans-65.8-38.6177.1-56.40000111.6F37 F38 T39 M44 A45 V124F37-T41 VanDerWaalsContact O-CB 3.29Å; F37-T41 WeakPolarHBondContact O-CB 3.35Å; F37-T41 PolarHBondContact O-N 2.99Å; F37-T41 PolarHBondContact O-OG1 2.85Å; F38-T41 PolarHBondContact O-N 3.47Å; T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 2.91Å; T41-M44 PolarHBondContact O-N 3.06Å; T41-A45 VanDerWaalsContact O-CB 3.26Å; T41-A45 WeakPolarHBondContact O-CB 3.46Å; T41-A45 PolarHBondContact O-N 2.85Å; T41-V124 HydrophobicContact CG2-CG2 4.04Å
42A72.2Confident69Low10 Ų1075 Ų758%0.08339%0.388CS..Hα-helixtrans-64.3-48.6174.900000111.7F38 T39 M44 A45 D46 V124F38-A42 PolarHBondContact O-N 2.95Å; T39-A42 PolarHBondContact O-N 3.09Å; A42-M44 VanDerWaalsContact C-N 3.35Å; A42-M44 PolarHBondContact O-N 3.18Å; A42-A45 PolarHBondContact O-N 3.13Å; A42-D46 PolarHBondContact O-N 2.98Å; A42-V124 HydrophobicContact CB-CG2 4.38Å
43I72Confident68.4Low81 Ų8171.5 Ų71.542%0.41537%0.37SS..Hα-helixtrans-60.6-43.9175.7-67.3166.5000110.9T39 L40 A45 D46 L47T39-I43 HydrophobicContact CG2-CD1 3.94Å; T39-I43 VanDerWaalsContact O-CG1 3.32Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.19Å; L40-I43 PolarHBondContact O-N 3.28Å; I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 3.14Å; I43-D46 PolarHBondContact O-N 3.24Å; I43-L47 HydrophobicContact CG2-CD1 3.95Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 VanDerWaalsContact O-CG 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.49Å; I43-L47 PolarHBondContact O-N 2.75Å
44M70.5Confident68.1Low120 Ų12071.5 Ų71.559%0.59136%0.364SS*.Hα-helixtrans-67-33.7177.1-72.3-59.2-59.500112.4L40 T41 A42 L47 L48L40-M44 VanDerWaalsContact O-CB 3.28Å; L40-M44 WeakPolarHBondContact O-CB 3.49Å; L40-M44 WeakPolarHBondContact O-CG 3.45Å; L40-M44 PolarHBondContact O-N 3.47Å; T41-M44 PolarHBondContact O-N 3.06Å; A42-M44 VanDerWaalsContact C-N 3.35Å; A42-M44 PolarHBondContact O-N 3.18Å; M44-L47 HydrophobicContact SD-CD1 4.2Å; M44-L48 WeakPolarHBondContact O-CB 3.48Å; M44-L48 PolarHBondContact O-N 3.26Å
45A68.1Low67.5Low16 Ų1673.5 Ų73.513%0.13238%0.381CS..Hα-helixtrans-68.1-44.717300000111.5T41 A42 I43 L48 C49 V124T41-A45 VanDerWaalsContact O-CB 3.26Å; T41-A45 WeakPolarHBondContact O-CB 3.46Å; T41-A45 PolarHBondContact O-N 2.85Å; A42-A45 PolarHBondContact O-N 3.13Å; I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 3.14Å; A45-L48 PolarHBondContact O-N 3.39Å; A45-C49 WeakPolarHBondContact O-CB 3.35Å; A45-C49 PolarHBondContact O-N 3.05Å; A45-C49 PolarHBondContact O-SG 2.93Å; A45-V124 HydrophobicContact CB-CG2 4.06Å
46D67.3Low67.2Low25 Ų2577.6 Ų77.613%0.13441%0.405CS..Hα-helixtrans-58.2-51173-81.3-51.6000111A42 I43 L48 C49 Y50 C118 I119 G120A42-D46 PolarHBondContact O-N 2.98Å; I43-D46 PolarHBondContact O-N 3.24Å; D46-L48 PolarHBondContact O-N 2.94Å; D46-C49 PolarHBondContact O-N 3.5Å; D46-Y50 WeakPolarHBondContact O-CD2 3.48Å; D46-Y50 PolarHBondContact O-N 3.32Å; D46-C118 WeakPolarHBondContact OD1-CA 3.08Å; D46-I119 PolarHBondContact OD1-N 3.4Å; D46-G120 WeakPolarHBondContact OD1-CA 3.4Å; D46-G120 PolarHBondContact OD1-N 3.3Å
47L67.9Low66.6Low82 Ų8276.9 Ų76.943%0.42940%0.401SS..Hα-helixtrans-59.3-43.4176.9-72.5172.8000112.4I43 M44 C49 Y50 F51I43-L47 HydrophobicContact CG2-CD1 3.95Å; I43-L47 HydrophobicContact CG2-CG 4.37Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 VanDerWaalsContact O-CG 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.49Å; I43-L47 PolarHBondContact O-N 2.75Å; M44-L47 HydrophobicContact SD-CD1 4.2Å; L47-C49 VanDerWaalsContact C-N 3.35Å; L47-Y50 PolarHBondContact O-N 3.43Å; L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 WeakPolarHBondContact O-CD2 3.35Å; L47-F51 PolarHBondContact O-N 2.94Å
48L68.2Low66Low101 Ų10171.7 Ų71.753%0.52938%0.38SS..Hα-helixtrans-65.7-38.2178.4-175.164.1000111.5M44 A45 D46 F51 L52M44-L48 WeakPolarHBondContact O-CB 3.48Å; M44-L48 PolarHBondContact O-N 3.26Å; A45-L48 PolarHBondContact O-N 3.39Å; D46-L48 PolarHBondContact O-N 2.94Å; L48-F51 PolarHBondContact O-N 2.97Å; L48-L52 HydrophobicContact CD1-CD1 3.68Å; L48-L52 HydrophobicContact CD1-CG 4Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L48-L52 HydrophobicContact CG-CD1 3.75Å; L48-L52 HydrophobicContact CG-CG 4.39Å; L48-L52 WeakPolarHBondContact O-CB 3.33Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 2.89Å
49C63.3Low65.5Low23 Ų2376.4 Ų76.416%0.15540%0.398CS..Hα-helixtrans-64.6-43171.6-74.20000111.9A45 D46 L47 F51 V53 I119A45-C49 WeakPolarHBondContact O-CB 3.35Å; A45-C49 PolarHBondContact O-N 3.05Å; A45-C49 PolarHBondContact O-SG 2.93Å; D46-C49 PolarHBondContact O-N 3.5Å; L47-C49 VanDerWaalsContact C-N 3.35Å; C49-F51 VanDerWaalsContact C-N 3.32Å; C49-F51 PolarHBondContact O-N 3.1Å; C49-V53 WeakPolarHBondContact O-CB 3.37Å; C49-V53 WeakPolarHBondContact O-CG2 3.45Å; C49-V53 PolarHBondContact O-N 3.17Å; C49-V53 VanDerWaalsContact O-N 3.17Å; C49-I119 HydrophobicContact CB-CG2 3.49Å; C49-I119 VanDerWaalsContact CB-CG2 3.49Å
50Y65.7Low65.1Low142 Ų14275.6 Ų75.656%0.55739%0.392SS*.Hα-helixtrans-64.2-32.8174.5-77.9-64.3000113.4D46 L47 I58D46-Y50 WeakPolarHBondContact O-CD2 3.48Å; D46-Y50 PolarHBondContact O-N 3.32Å; L47-Y50 PolarHBondContact O-N 3.43Å; Y50-I58 HydrophobicContact CD1-CD1 3.7Å; Y50-I58 HydrophobicContact CE1-CD1 4.1Å
51F64.5Low64.4Low178 Ų17873.4 Ų73.478%0.78138%0.38SS*.Hα-helixtrans-80.2-37.1179.5-99.7-82.3000114.3L47 L48 C49L47-F51 WeakPolarHBondContact O-CB 3.43Å; L47-F51 WeakPolarHBondContact O-CD2 3.35Å; L47-F51 PolarHBondContact O-N 2.94Å; L48-F51 PolarHBondContact O-N 2.97Å; C49-F51 VanDerWaalsContact C-N 3.32Å; C49-F51 PolarHBondContact O-N 3.1Å
52L57Low63.9Low127 Ų12771.4 Ų71.467%0.66537%0.37SS*.Hα-helixtrans-87.5-23.1-175.5-71.6174.8000114L48L48-L52 HydrophobicContact CD1-CD1 3.68Å; L48-L52 HydrophobicContact CD1-CG 4Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L48-L52 HydrophobicContact CG-CD1 3.75Å; L48-L52 HydrophobicContact CG-CG 4.39Å; L48-L52 WeakPolarHBondContact O-CB 3.33Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 2.89Å
53V57.4Low63.7Low30 Ų3071.7 Ų71.718%0.18237%0.372CS..SBendtrans-119.5114.6-161.2-170.60000110.3C49 T55 L57 I58C49-V53 WeakPolarHBondContact O-CB 3.37Å; C49-V53 WeakPolarHBondContact O-CG2 3.45Å; C49-V53 PolarHBondContact O-N 3.17Å; C49-V53 VanDerWaalsContact O-N 3.17Å; V53-T55 PolarHBondContact O-N 3.33Å; V53-L57 HydrophobicContact CG1-CB 3.3Å; V53-L57 HydrophobicContact CG1-CD1 4.49Å; V53-I58 HydrophobicContact CB-CD1 4.48Å; V53-I58 HydrophobicContact CB-CG1 3.82Å; V53-I58 HydrophobicContact CG1-CG1 3.7Å; V53-I58 WeakPolarHBondContact O-CD1 3.33Å
54P62.1Low63.4Low80 Ų8069.3 Ų69.352%0.51936%0.362SS..  trans-46.7139.8166.8-30.535.2000111.7T56 L57 I58P54-T56 PolarHBondContact O-N 3.46Å; P54-L57 HydrophobicContact CG-CD1 4.48Å; P54-L57 WeakPolarHBondContact O-CA 3.42Å; P54-L57 WeakPolarHBondContact O-CB 3.5Å; P54-L57 PolarHBondContact O-N 3.36Å; P54-I58 PolarHBondContact O-N 3.46Å
55T56.9Low63.1Low93 Ų9364.4 Ų64.457%0.57134%0.34SS*.Hα-helixtrans-53.6-32.1-173.449.40000113.6V53 L57 I58 Y59V53-T55 PolarHBondContact O-N 3.33Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.99Å; T55-I58 PolarHBondContact O-N 3.29Å; T55-Y59 WeakPolarHBondContact O-CD2 3.38Å; T55-Y59 WeakPolarHBondContact O-CE2 3.32Å; T55-Y59 PolarHBondContact O-N 2.99Å
56T61.6Low62.9Low91 Ų9166.7 Ų66.756%0.55835%0.352SS*.Hα-helixtrans-60.1-36.7173.150.80000114.1P54P54-T56 PolarHBondContact O-N 3.46Å
57L59.5Low62.8Low82 Ų8271 Ų7143%0.42937%0.366SS..Hα-helixtrans-81.6-28176.2-74.5173.2000111.9V53 P54 T55 Y59 L60 L61V53-L57 HydrophobicContact CG1-CB 3.3Å; V53-L57 HydrophobicContact CG1-CD1 4.49Å; P54-L57 HydrophobicContact CG-CD1 4.48Å; P54-L57 WeakPolarHBondContact O-CA 3.42Å; P54-L57 WeakPolarHBondContact O-CB 3.5Å; P54-L57 PolarHBondContact O-N 3.36Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.99Å; L57-Y59 VanDerWaalsContact C-N 3.31Å; L57-Y59 PolarHBondContact O-N 3.33Å; L57-L60 PolarHBondContact O-N 3.46Å; L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 PolarHBondContact O-N 2.85Å
58I60.9Low62.6Low23 Ų2371.4 Ų71.412%0.11837%0.367CS..Hα-helixtrans-61.2-42.1171.9-59.7-179.9000110.2Y50 V53 P54 T55 L60 L61 G62Y50-I58 HydrophobicContact CD1-CD1 3.7Å; Y50-I58 HydrophobicContact CE1-CD1 4.1Å; V53-I58 HydrophobicContact CB-CD1 4.48Å; V53-I58 HydrophobicContact CB-CG1 3.82Å; V53-I58 HydrophobicContact CG1-CG1 3.7Å; V53-I58 WeakPolarHBondContact O-CD1 3.33Å; P54-I58 PolarHBondContact O-N 3.46Å; T55-I58 PolarHBondContact O-N 3.29Å; I58-L60 VanDerWaalsContact C-N 3.32Å; I58-L60 PolarHBondContact O-N 2.96Å; I58-L61 PolarHBondContact O-N 2.96Å; I58-G62 PolarHBondContact O-N 3.42Å
59Y61.1Low62.6Low110 Ų11070.7 Ų70.743%0.43136%0.361SS..Hα-helixtrans-65.8-32.8176-59.8-49.2000113.5T55 L57 S63 A115T55-Y59 WeakPolarHBondContact O-CD2 3.38Å; T55-Y59 WeakPolarHBondContact O-CE2 3.32Å; T55-Y59 PolarHBondContact O-N 2.99Å; L57-Y59 VanDerWaalsContact C-N 3.31Å; L57-Y59 PolarHBondContact O-N 3.33Å; Y59-S63 PolarHBondContact O-N 3.38Å; Y59-S63 PolarHBondContact O-OG 3.31Å; Y59-A115 HydrophobicContact CD1-CB 3.77Å; Y59-A115 HydrophobicContact CE1-CB 3.51Å
60L60.9Low62.6Low16 Ų1674 Ų748%0.08438%0.376CS..Hα-helixtrans-74-36.9174.8-171.2141.8000112.3L57 I58 S63 S64 F90 E93 V94L57-L60 PolarHBondContact O-N 3.46Å; I58-L60 VanDerWaalsContact C-N 3.32Å; I58-L60 PolarHBondContact O-N 2.96Å; L60-S63 PolarHBondContact O-OG 2.94Å; L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 3.37Å; L60-S64 VanDerWaalsContact O-N 3.15Å; L60-S64 PolarHBondContact O-OG 2.88Å; L60-F90 HydrophobicContact CD2-CE2 3.89Å; L60-E93 HydrophobicContact CD1-CG 3.88Å; L60-E93 HydrophobicContact CG-CG 4.1Å; L60-V94 HydrophobicContact CD1-CG2 4.13Å
61L61.8Low62.5Low61 Ų6169.3 Ų69.332%0.31936%0.361SS..Hα-helixtrans-68.4-39.1171.7-100.567.5000111.5L57 I58 S64 C65 I119L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 PolarHBondContact O-N 2.85Å; I58-L61 PolarHBondContact O-N 2.96Å; L61-S64 WeakPolarHBondContact CA-OG 3.47Å; L61-S64 PolarHBondContact O-N 2.99Å; L61-S64 PolarHBondContact O-OG 3.48Å; L61-C65 WeakPolarHBondContact O-CB 3.28Å; L61-C65 PolarHBondContact O-N 3.47Å; L61-C65 PolarHBondContact O-SG 3.35Å; L61-I119 HydrophobicContact CB-CD1 4.04Å
62G62.9Low62.5Low9 Ų966.8 Ų66.89%0.09335%0.346CS..Hα-helixtrans-60-51.9176.800000112.3I58 C65 V66I58-G62 PolarHBondContact O-N 3.42Å; G62-C65 PolarHBondContact O-N 3.29Å; G62-V66 PolarHBondContact O-N 2.72Å
63S67.3Low62.8Low16 Ų1667.4 Ų67.411%0.11235%0.345CS..Hα-helixtrans-63.4-44.417865.10000111.9Y59 L60 C65 V66 W67 E93Y59-S63 PolarHBondContact O-N 3.38Å; Y59-S63 PolarHBondContact O-OG 3.31Å; L60-S63 PolarHBondContact O-OG 2.94Å; S63-C65 PolarHBondContact O-N 2.91Å; S63-V66 PolarHBondContact O-N 3.08Å; S63-W67 PolarHBondContact O-N 2.94Å; S63-E93 PolarHBondContact OG-OE1 3.37Å
64S66Low62.8Low31 Ų3169.6 Ų69.622%0.21736%0.359CS..Hα-helixtrans-69.3-29.5178.156.70000114.3L60 L61 W67 M68L60-S64 WeakPolarHBondContact O-CB 3.4Å; L60-S64 PolarHBondContact O-N 3.37Å; L60-S64 VanDerWaalsContact O-N 3.15Å; L60-S64 PolarHBondContact O-OG 2.88Å; L61-S64 WeakPolarHBondContact CA-OG 3.47Å; L61-S64 PolarHBondContact O-N 2.99Å; L61-S64 PolarHBondContact O-OG 3.48Å; S64-W67 PolarHBondContact O-N 2.76Å; S64-M68 WeakPolarHBondContact O-CB 3.5Å; S64-M68 WeakPolarHBondContact O-CG 3.45Å; S64-M68 PolarHBondContact O-N 2.9Å
65C65.2Low62.2Low17 Ų1772.7 Ų72.712%0.11537%0.371CS..Hα-helixtrans-69.1-35.1175.2-77.30000112.9L61 G62 S63 M68 H69 I119 P122L61-C65 WeakPolarHBondContact O-CB 3.28Å; L61-C65 PolarHBondContact O-N 3.47Å; L61-C65 PolarHBondContact O-SG 3.35Å; G62-C65 PolarHBondContact O-N 3.29Å; S63-C65 PolarHBondContact O-N 2.91Å; C65-M68 PolarHBondContact O-N 3.5Å; C65-H69 WeakPolarHBondContact O-CB 3.35Å; C65-H69 PolarHBondContact O-N 3.5Å; C65-I119 HydrophobicContact CB-CD1 4.02Å; C65-P122 HydrophobicContact CB-CB 4.12Å
66V62.7Low61.7Low64 Ų6479.3 Ų79.339%0.38839%0.386SS..Hα-helixtrans-64.9-43.4173.1176.30000110.5G62 S63 H69 L70G62-V66 PolarHBondContact O-N 2.72Å; S63-V66 PolarHBondContact O-N 3.08Å; V66-H69 PolarHBondContact O-N 3.27Å; V66-L70 PolarHBondContact O-N 3.46Å
67W65.7Low61.2Low114 Ų11477.3 Ų77.343%0.43238%0.383SS..Hα-helixtrans-64.2-39.6174.3-73.4113.8000113S63 S64 H69 L70 L71 F89S63-W67 PolarHBondContact O-N 2.94Å; S64-W67 PolarHBondContact O-N 2.76Å; W67-H69 VanDerWaalsContact C-N 3.34Å; W67-L70 HydrophobicContact CE3-CD2 3.78Å; W67-L70 HydrophobicContact CZ3-CD2 3.66Å; W67-L70 PolarHBondContact O-N 2.92Å; W67-L71 WeakPolarHBondContact O-CB 3.41Å; W67-L71 WeakPolarHBondContact O-CG 3.36Å; W67-L71 PolarHBondContact O-N 3.23Å; W67-F89 AromaticContact CD1-CD1 3.76Å; W67-F89 AromaticContact CD1-CE1 3.66Å; W67-F89 HydrophobicContact CZ2-CE2 4.45Å; W67-F89 AromaticContact NE1-CD1 3.6Å; W67-F89 AromaticContact NE1-CE1 3.28Å; W67-F89 VanDerWaalsContact NE1-CE1 3.28Å; W67-F89 AromaticContact NE1-CE2 3.99Å; W67-F89 AromaticContact NE1-CZ 3.5Å
68M65Low61.1Low92 Ų9279.1 Ų79.145%0.45340%0.397SS..Hα-helixtrans-65.1-36173.5-76-68.6-178.100112.3S64 C65 L71 W72S64-M68 WeakPolarHBondContact O-CB 3.5Å; S64-M68 WeakPolarHBondContact O-CG 3.45Å; S64-M68 PolarHBondContact O-N 2.9Å; C65-M68 PolarHBondContact O-N 3.5Å; M68-L71 HydrophobicContact SD-CD1 4.06Å; M68-W72 WeakPolarHBondContact O-CB 3.44Å; M68-W72 PolarHBondContact O-N 3.46Å
69H66.3Low61.4Low86 Ų8685.8 Ų85.840%0.39842%0.422SS..Hα-helixtrans-67.3-40.6173.5-163.873.7000111.6C65 V66 W67 W72 Q73C65-H69 WeakPolarHBondContact O-CB 3.35Å; C65-H69 PolarHBondContact O-N 3.5Å; V66-H69 PolarHBondContact O-N 3.27Å; W67-H69 VanDerWaalsContact C-N 3.34Å; H69-W72 PolarHBondContact O-N 2.93Å; H69-Q73 PolarHBondContact O-N 3.45Å
70L63.9Low61.8Low92 Ų9287.2 Ų87.248%0.48244%0.436SS..Hα-helixtrans-64.3-41.9175.3-165.372.8000112.1V66 W67 W72 Q73 T74V66-L70 PolarHBondContact O-N 3.46Å; W67-L70 HydrophobicContact CE3-CD2 3.78Å; W67-L70 HydrophobicContact CZ3-CD2 3.66Å; W67-L70 PolarHBondContact O-N 2.92Å; L70-W72 VanDerWaalsContact C-N 3.32Å; L70-Q73 PolarHBondContact O-N 2.88Å; L70-T74 PolarHBondContact O-N 2.87Å
71L64.5Low62.1Low43 Ų4390.3 Ų90.323%0.22546%0.457CS..Hα-helixtrans-62-37.7171.6-79.1166.3000112.4W67 M68 T74 T82 C86W67-L71 WeakPolarHBondContact O-CB 3.41Å; W67-L71 WeakPolarHBondContact O-CG 3.36Å; W67-L71 PolarHBondContact O-N 3.23Å; M68-L71 HydrophobicContact SD-CD1 4.06Å; L71-T74 PolarHBondContact O-N 2.92Å; L71-T74 PolarHBondContact O-OG1 3.34Å; L71-T82 HydrophobicContact CD2-CG2 3.5Å; L71-T82 VanDerWaalsContact CD2-CG2 3.5Å; L71-C86 HydrophobicContact CD1-CB 3.92Å
72W65Low62.2Low125 Ų12590.2 Ų90.247%0.47346%0.459SS..Hα-helixtrans-72-32.5177.9-164.7-86.3000112.3M68 H69 L70 T74 L126 S129M68-W72 WeakPolarHBondContact O-CB 3.44Å; M68-W72 PolarHBondContact O-N 3.46Å; H69-W72 PolarHBondContact O-N 2.93Å; L70-W72 VanDerWaalsContact C-N 3.32Å; W72-T74 PolarHBondContact O-N 2.88Å; W72-L126 HydrophobicContact CE3-CD2 4.36Å; W72-S129 VanDerWaalsContact CZ2-CB 3.41Å; W72-S129 WeakPolarHBondContact CZ2-OG 3.41Å
73Q62.5Low62.5Low140 Ų14092.2 Ų92.265%0.65447%0.469SS*.Hα-helixtrans-74.3-14.6177.9-146.2170.434.200113.1H69 L70 D75H69-Q73 PolarHBondContact O-N 3.45Å; L70-Q73 PolarHBondContact O-N 2.88Å; Q73-D75 PolarHBondContact O-N 3.39Å
74T57.4Low62.7Low77 Ų7794 Ų9447%0.47249%0.485SS..  trans-79.265.8169.3430000113L70 L71 W72 R76L70-T74 PolarHBondContact O-N 2.87Å; L71-T74 PolarHBondContact O-N 2.92Å; L71-T74 PolarHBondContact O-OG1 3.34Å; W72-T74 PolarHBondContact O-N 2.88Å; T74-R76 PolarHBondContact O-N 2.79Å
75D48.5Very low62.7Low144 Ų14497.8 Ų97.877%0.7750%0.502SS*.THydrogen-bonded Turntrans-65.122.6175.1-114.1-35000114.5Q73Q73-D75 PolarHBondContact O-N 3.39Å
76R46.7Very low62.8Low232 Ų23298.3 Ų98.388%0.87551%0.506SS*.THydrogen-bonded Turntrans-127.329.5-172.5-71.3-73.3-175.588.3-0113T74T74-R76 PolarHBondContact O-N 2.79Å
77G51.4Low63.2Low49 Ų49102.2 Ų102.251%0.50552%0.518SS..  trans97.5133.2171.300000113.9Y79G77-Y79 WeakPolarHBondContact O-CD2 3.39Å; G77-Y79 PolarHBondContact O-N 3.1Å; G77-Y79 VanDerWaalsContact O-N 3.08Å
78V57.8Low63.5Low120 Ų120101.3 Ų101.373%0.72752%0.521SS*.  trans-77.395.6-178.6-176.80000109.8I80 V83V78-I80 PolarHBondContact O-N 3.18Å; V78-V83 HydrophobicContact CG1-CG2 3.3Å
79Y67Low63.5Low163 Ų163100.9 Ų100.964%0.63952%0.517SS*.  trans-67.3127.4168.8-76.6-87.8000109.9G77 P81 T82 V83G77-Y79 WeakPolarHBondContact O-CD2 3.39Å; G77-Y79 PolarHBondContact O-N 3.1Å; G77-Y79 VanDerWaalsContact O-N 3.08Å; Y79-P81 VanDerWaalsContact C-CD 3.48Å; Y79-P81 VanDerWaalsContact C-N 3.26Å; Y79-T82 PolarHBondContact O-N 3.28Å; Y79-T82 PolarHBondContact O-OG1 3.06Å; Y79-V83 PolarHBondContact O-N 3.46Å
80I68.7Low63.6Low141 Ų141101.5 Ų101.572%0.72352%0.519SS*.Hα-helixtrans-49-42.5174.5-64168.8000111.9V78 T82 V83 A84V78-I80 PolarHBondContact O-N 3.18Å; I80-T82 VanDerWaalsContact C-N 3.32Å; I80-T82 PolarHBondContact O-N 3.5Å; I80-V83 PolarHBondContact O-N 2.89Å; I80-A84 WeakPolarHBondContact O-CB 3.4Å; I80-A84 PolarHBondContact O-N 3.33Å
81P68.6Low64Low80 Ų80105 Ų10552%0.51953%0.526SS..Hα-helixtrans-50-42.2170.8-32.635.6000115.5Y79 A84 L85Y79-P81 VanDerWaalsContact C-CD 3.48Å; Y79-P81 VanDerWaalsContact C-N 3.26Å; P81-A84 PolarHBondContact O-N 2.9Å; P81-L85 WeakPolarHBondContact O-CB 3.49Å; P81-L85 WeakPolarHBondContact O-CG 3.5Å; P81-L85 PolarHBondContact O-N 3.28Å
82T64.1Low64.1Low59 Ų59106.3 Ų106.336%0.36254%0.536SS..Hα-helixtrans-71.4-36.7-176.8-31.70000111.4L71 Y79 I80 C86L71-T82 HydrophobicContact CD2-CG2 3.5Å; L71-T82 VanDerWaalsContact CD2-CG2 3.5Å; Y79-T82 PolarHBondContact O-N 3.28Å; Y79-T82 PolarHBondContact O-OG1 3.06Å; I80-T82 VanDerWaalsContact C-N 3.32Å; I80-T82 PolarHBondContact O-N 3.5Å; T82-C86 WeakPolarHBondContact O-CB 3.48Å; T82-C86 PolarHBondContact O-N 2.81Å
83V68Low64.1Low51 Ų51101.4 Ų101.431%0.30952%0.518SS..Hα-helixtrans-68.1-43.4172.6176.90000110.8V78 Y79 I80 L85 C86 F87V78-V83 HydrophobicContact CG1-CG2 3.3Å; Y79-V83 PolarHBondContact O-N 3.46Å; I80-V83 PolarHBondContact O-N 2.89Å; V83-L85 PolarHBondContact O-N 2.97Å; V83-C86 WeakPolarHBondContact O-CB 3.22Å; V83-C86 PolarHBondContact O-N 3.23Å; V83-F87 HydrophobicContact CG1-CD2 3.7Å; V83-F87 HydrophobicContact CG1-CE2 3.56Å; V83-F87 VanDerWaalsContact O-CD2 3.27Å; V83-F87 WeakPolarHBondContact O-CD2 3.34Å; V83-F87 PolarHBondContact O-N 2.81Å
84A72.1Confident64.1Low54 Ų5496.8 Ų96.845%0.44650%0.5SS..Hα-helixtrans-63.3-40.5176.400000112.2I80 P81 F87 L88I80-A84 WeakPolarHBondContact O-CB 3.4Å; I80-A84 PolarHBondContact O-N 3.33Å; P81-A84 PolarHBondContact O-N 2.9Å; A84-F87 PolarHBondContact O-N 3.05Å; A84-L88 VanDerWaalsContact O-CB 3.28Å; A84-L88 WeakPolarHBondContact O-CB 3.47Å; A84-L88 PolarHBondContact O-N 2.88Å
85L66.4Low64.7Low111 Ų11195 Ų9558%0.58149%0.493SS*.Hα-helixtrans-65.6-37.3173.4-73.7169.9000111.8P81 V83 L88 F89P81-L85 WeakPolarHBondContact O-CB 3.49Å; P81-L85 WeakPolarHBondContact O-CG 3.5Å; P81-L85 PolarHBondContact O-N 3.28Å; V83-L85 PolarHBondContact O-N 2.97Å; L85-L88 HydrophobicContact CD2-CD2 4.5Å; L85-L88 PolarHBondContact O-N 3.38Å; L85-F89 VanDerWaalsContact O-CB 3.3Å; L85-F89 WeakPolarHBondContact O-CB 3.44Å; L85-F89 PolarHBondContact O-N 3.38Å
86C66.4Low65.2Low28 Ų2892.6 Ų92.619%0.18948%0.483CS..Hα-helixtrans-63.8-45.1172.8-172.80000112.1L71 T82 V83 F89 F90L71-C86 HydrophobicContact CD1-CB 3.92Å; T82-C86 WeakPolarHBondContact O-CB 3.48Å; T82-C86 PolarHBondContact O-N 2.81Å; V83-C86 WeakPolarHBondContact O-CB 3.22Å; V83-C86 PolarHBondContact O-N 3.23Å; C86-F89 PolarHBondContact O-N 3.25Å; C86-F90 WeakPolarHBondContact O-CB 3.15Å; C86-F90 PolarHBondContact O-N 3.06Å
87F71.5Confident66Low145 Ų14586 Ų8664%0.63646%0.458SS*.Hα-helixtrans-66.3-37.8175-81.5-66.4000112.4V83 A84 Y91V83-F87 HydrophobicContact CG1-CD2 3.7Å; V83-F87 HydrophobicContact CG1-CE2 3.56Å; V83-F87 VanDerWaalsContact O-CD2 3.27Å; V83-F87 WeakPolarHBondContact O-CD2 3.34Å; V83-F87 PolarHBondContact O-N 2.81Å; A84-F87 PolarHBondContact O-N 3.05Å; F87-Y91 WeakPolarHBondContact O-CB 3.42Å; F87-Y91 PolarHBondContact O-N 3.31Å
88L71.5Confident66.4Low96 Ų9692.2 Ų92.250%0.50347%0.472SS..Hα-helixtrans-65.2-43.2174.8-178.664.4000111.2A84 L85 Y91 V92A84-L88 VanDerWaalsContact O-CB 3.28Å; A84-L88 WeakPolarHBondContact O-CB 3.47Å; A84-L88 PolarHBondContact O-N 2.88Å; L85-L88 HydrophobicContact CD2-CD2 4.5Å; L85-L88 PolarHBondContact O-N 3.38Å; L88-Y91 PolarHBondContact O-N 3.34Å; L88-V92 HydrophobicContact CD1-CG2 4.39Å; L88-V92 WeakPolarHBondContact O-CB 3.39Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.92Å
89F65.1Low66.3Low82 Ų8296.4 Ų96.436%0.3648%0.475SS..Hα-helixtrans-64.7-45.3176.7-169.4-91.4000111.2W67 L85 C86 Y91 V92 E93W67-F89 AromaticContact CD1-CD1 3.76Å; W67-F89 AromaticContact CD1-CE1 3.66Å; W67-F89 HydrophobicContact CZ2-CE2 4.45Å; W67-F89 AromaticContact NE1-CD1 3.6Å; W67-F89 AromaticContact NE1-CE1 3.28Å; W67-F89 VanDerWaalsContact NE1-CE1 3.28Å; W67-F89 AromaticContact NE1-CE2 3.99Å; W67-F89 AromaticContact NE1-CZ 3.5Å; L85-F89 VanDerWaalsContact O-CB 3.3Å; L85-F89 WeakPolarHBondContact O-CB 3.44Å; L85-F89 PolarHBondContact O-N 3.38Å; C86-F89 PolarHBondContact O-N 3.25Å; F89-Y91 VanDerWaalsContact C-N 3.34Å; F89-Y91 PolarHBondContact O-N 3.46Å; F89-V92 PolarHBondContact O-N 3.19Å; F89-E93 VanDerWaalsContact O-CB 3.26Å; F89-E93 WeakPolarHBondContact O-CB 3.36Å; F89-E93 PolarHBondContact O-N 3.09Å
90F68.8Low65.5Low100 Ų10094.5 Ų94.544%0.43948%0.475SS..Hα-helixtrans-59.5-43.9173-175.3-94.9000111.9L60 C86 E93 V94L60-F90 HydrophobicContact CD2-CE2 3.89Å; C86-F90 WeakPolarHBondContact O-CB 3.15Å; C86-F90 PolarHBondContact O-N 3.06Å; F90-E93 PolarHBondContact O-N 3.03Å; F90-V94 HydrophobicContact CD1-CG2 4.14Å; F90-V94 HydrophobicContact CE1-CG2 3.84Å; F90-V94 HydrophobicContact CE2-CG2 4.46Å; F90-V94 HydrophobicContact CZ-CG2 4.02Å; F90-V94 WeakPolarHBondContact O-CB 3.09Å; F90-V94 VanDerWaalsContact O-CG2 3.23Å; F90-V94 WeakPolarHBondContact O-CG2 3.46Å; F90-V94 PolarHBondContact O-N 2.93Å
91Y72.5Confident64.5Low164 Ų16493.8 Ų93.864%0.64348%0.48SS*.Hα-helixtrans-62.9-43.9177178.6-94.7000112.2F87 L88 F89 A95F87-Y91 WeakPolarHBondContact O-CB 3.42Å; F87-Y91 PolarHBondContact O-N 3.31Å; L88-Y91 PolarHBondContact O-N 3.34Å; F89-Y91 VanDerWaalsContact C-N 3.34Å; F89-Y91 PolarHBondContact O-N 3.46Å; Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 3.35Å
92V65.7Low63.7Low72 Ų7298.8 Ų98.844%0.43649%0.494SS..Hα-helixtrans-65.3-45.7176.2168.90000111L88 F89 V94 A95 V96L88-V92 HydrophobicContact CD1-CG2 4.39Å; L88-V92 WeakPolarHBondContact O-CB 3.39Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.92Å; F89-V92 PolarHBondContact O-N 3.19Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 2.94Å; V92-A95 PolarHBondContact O-N 3.29Å; V92-V96 HydrophobicContact CG1-CG2 4.17Å; V92-V96 WeakPolarHBondContact O-CB 3.48Å; V92-V96 VanDerWaalsContact O-CG2 3.24Å; V92-V96 WeakPolarHBondContact O-CG2 3.34Å; V92-V96 PolarHBondContact O-N 3.16Å
93E64.8Low63.1Low21 Ų21100.4 Ų100.410%0.09851%0.508CS..Hα-helixtrans-61.4-40.7178.6-170.584.515100111.5L60 S63 F89 F90 R97L60-E93 HydrophobicContact CD1-CG 3.88Å; L60-E93 HydrophobicContact CG-CG 4.1Å; S63-E93 PolarHBondContact OG-OE1 3.37Å; F89-E93 VanDerWaalsContact O-CB 3.26Å; F89-E93 WeakPolarHBondContact O-CB 3.36Å; F89-E93 PolarHBondContact O-N 3.09Å; F90-E93 PolarHBondContact O-N 3.03Å; E93-R97 WeakPolarHBondContact O-CB 3.48Å; E93-R97 WeakPolarHBondContact O-CG 3.29Å; E93-R97 PolarHBondContact O-N 3.46Å; E93-R97 VanDerWaalsContact O-N 3.14Å; E93-R97 IonicContact OE1-CZ 2.96Å; E93-R97 IonicContact OE1-NH1 3.97Å; E93-R97 PolarHBondContact OE1-NH1 3.19Å; E93-R97 IonicContact OE1-NH2 3.72Å; E93-R97 PolarHBondContact OE1-NH2 3.29Å; E93-R97 IonicContact OE2-NH1 2.97Å; E93-R97 IonicContact OE2-NH2 3.91Å
94V64.2Low61.8Low44 Ų44106.1 Ų106.127%0.26753%0.531SS..Hα-helixtrans-67.7-47.2172.8169.50000111.2L60 F90 V92 V96 R97 F98L60-V94 HydrophobicContact CD1-CG2 4.13Å; F90-V94 HydrophobicContact CD1-CG2 4.14Å; F90-V94 HydrophobicContact CE1-CG2 3.84Å; F90-V94 HydrophobicContact CE2-CG2 4.46Å; F90-V94 HydrophobicContact CZ-CG2 4.02Å; F90-V94 WeakPolarHBondContact O-CB 3.09Å; F90-V94 VanDerWaalsContact O-CG2 3.23Å; F90-V94 WeakPolarHBondContact O-CG2 3.46Å; F90-V94 PolarHBondContact O-N 2.93Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 2.94Å; V94-V96 VanDerWaalsContact C-N 3.32Å; V94-V96 PolarHBondContact O-N 2.99Å; V94-R97 PolarHBondContact O-N 3.08Å; V94-F98 HydrophobicContact CG1-CD2 3.8Å; V94-F98 HydrophobicContact CG1-CE2 4.19Å; V94-F98 WeakPolarHBondContact O-CB 3.46Å; V94-F98 PolarHBondContact O-N 3.06Å
95A68.1Low60.4Low40 Ų40109.8 Ų109.833%0.33155%0.55SS.*Hα-helixtrans-66.9-30.8-178.700000113.2Y91 V92 R99Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 3.35Å; V92-A95 PolarHBondContact O-N 3.29Å; A95-R99 WeakPolarHBondContact O-CG 3.45Å
96V59.7Low59.3Low93 Ų93110.8 Ų110.856%0.56456%0.556SS**Hα-helixtrans-74-39.9173.6169.40000110.8V92 V94V92-V96 HydrophobicContact CG1-CG2 4.17Å; V92-V96 WeakPolarHBondContact O-CB 3.48Å; V92-V96 VanDerWaalsContact O-CG2 3.24Å; V92-V96 WeakPolarHBondContact O-CG2 3.34Å; V92-V96 PolarHBondContact O-N 3.16Å; V94-V96 VanDerWaalsContact C-N 3.32Å; V94-V96 PolarHBondContact O-N 2.99Å
97R63.1Low58.3Low93 Ų93113.1 Ų113.135%0.35158%0.584SS.*Hα-helixtrans-81.9-19.1-179.9-70.7-170.4-179.1115.220.2115.4E93 V94E93-R97 WeakPolarHBondContact O-CB 3.48Å; E93-R97 WeakPolarHBondContact O-CG 3.29Å; E93-R97 PolarHBondContact O-N 3.46Å; E93-R97 VanDerWaalsContact O-N 3.14Å; E93-R97 IonicContact OE1-CZ 2.96Å; E93-R97 IonicContact OE1-NH1 3.97Å; E93-R97 PolarHBondContact OE1-NH1 3.19Å; E93-R97 IonicContact OE1-NH2 3.72Å; E93-R97 PolarHBondContact OE1-NH2 3.29Å; E93-R97 IonicContact OE2-NH1 2.97Å; E93-R97 IonicContact OE2-NH2 3.91Å; V94-R97 PolarHBondContact O-N 3.08Å
98F60.2Low57.2Low180 Ų180113 Ų11379%0.78959%0.588SS**THydrogen-bonded Turntrans-84.6-2.4171.8-95.6-89.7000114.2V94V94-F98 HydrophobicContact CG1-CD2 3.8Å; V94-F98 HydrophobicContact CG1-CE2 4.19Å; V94-F98 WeakPolarHBondContact O-CB 3.46Å; V94-F98 PolarHBondContact O-N 3.06Å
99R56Low56Low208 Ų208113 Ų11379%0.78559%0.589SS**SBendtrans-81.7131.7170.7-72.6174.885.1106.4-1.5110.2A95A95-R99 WeakPolarHBondContact O-CG 3.45Å
100D49.5Very low55.3Low122 Ų122115.4 Ų115.465%0.65261%0.605SS**  trans-44.8138.5-168.4-102.7-80.4000116.2K102D100-K102 PolarHBondContact O-N 2.93Å
101P49.4Very low54.4Low127 Ų127112.9 Ų112.983%0.82560%0.599SS**THydrogen-bonded Turntrans-7735.4-176.234.4-38.7000114.2
102K51.5Low53.1Low184 Ų184113.4 Ų113.480%0.860%0.6SS**THydrogen-bonded Turntrans-126.21.4-171-71.1-177.4179.3171.10115.9D100D100-K102 PolarHBondContact O-N 2.93Å
103S50Low52.4Low94 Ų94113.9 Ų113.966%0.65760%0.604SS**SBendtrans-148.979.5-179.262.70000114.5
104Q41.7Very low51.6Low170 Ų170118.7 Ų118.779%0.79463%0.625SS**  trans172.5125.1133.6-97.1169.2-89.400111.9L106Q104-L106 VanDerWaalsContact C-N 3.29Å; Q104-L106 PolarHBondContact O-N 3.17Å
105P42.6Very low50.8Low131 Ų131118.4 Ų118.485%0.85163%0.628SS**  trans-90.226.7176.337.5-36.2000113.4
106L43.8Very low50Low133 Ų133118.7 Ų118.770%0.69663%0.63SS**SBendtrans-133.693.3-170.2-87136.4000113.4Q104Q104-L106 VanDerWaalsContact C-N 3.29Å; Q104-L106 PolarHBondContact O-N 3.17Å
107G45.2Very low49.9Very low76 Ų76118 Ų11878%0.78462%0.621SS**  68.654.7122.600000119.9
108I48.4Very low49.6Very low142 Ų142116.2 Ų116.273%0.72862%0.622SS**  trans-120.960.6160.6-44.5-177.2000110L110I108-L110 HydrophobicContact CG2-CB 4.42Å; I108-L110 HydrophobicContact CG2-CD1 3.95Å; I108-L110 PolarHBondContact O-N 3.37Å
109D46.4Very low49.7Very low96 Ų96108 Ų10851%0.51359%0.586SS.*G310 helixtrans-71.717.6177.6-103.6-2.3000113.8C111 R112D109-C111 PolarHBondContact O-N 3.4Å; D109-C111 VanDerWaalsContact O-N 3.11Å; D109-R112 HydrophobicContact CB-CB 4.35Å; D109-R112 VanDerWaalsContact CG-CD 3.45Å; D109-R112 WeakPolarHBondContact O-CB 3.4Å; D109-R112 PolarHBondContact O-N 3.47Å; D109-R112 WeakPolarHBondContact OD1-CD 3.02Å; D109-R112 IonicContact OD1-NH1 3.68Å; D109-R112 VanDerWaalsContact OD2-CD 3.29Å; D109-R112 WeakPolarHBondContact OD2-CD 3.46Å; D109-R112 IonicContact OD2-CZ 2.74Å; D109-R112 IonicContact OD2-NE 2.7Å; D109-R112 IonicContact OD2-NH1 3.1Å; D109-R112 PolarHBondContact OD2-NH1 3.02Å
110L50.8Low50.1Low133 Ų13398.1 Ų98.170%0.69655%0.548SS*.G310 helixtrans-61.5-23.3-174.4-92.174.7000114.2I108I108-L110 HydrophobicContact CG2-CB 4.42Å; I108-L110 HydrophobicContact CG2-CD1 3.95Å; I108-L110 PolarHBondContact O-N 3.37Å
111C48.9Very low50.5Low47 Ų4795.1 Ų95.132%0.31853%0.529SS..G310 helixtrans-91.6-8176.8-66.60000113.8D109 P113 F114 A115D109-C111 PolarHBondContact O-N 3.4Å; D109-C111 VanDerWaalsContact O-N 3.11Å; C111-P113 VanDerWaalsContact C-CD 3.43Å; C111-F114 PolarHBondContact O-N 3.35Å; C111-F114 VanDerWaalsContact O-N 3.12Å; C111-A115 PolarHBondContact O-N 2.73Å
112R46.1Very low51.2Low176 Ų17689.8 Ų89.866%0.66449%0.494SS*.G310 helixtrans-62.7-30.6-177.3-151.5167.2-172.9177.12.8115.3D109 F114 A115D109-R112 HydrophobicContact CB-CB 4.35Å; D109-R112 VanDerWaalsContact CG-CD 3.45Å; D109-R112 WeakPolarHBondContact O-CB 3.4Å; D109-R112 PolarHBondContact O-N 3.47Å; D109-R112 WeakPolarHBondContact OD1-CD 3.02Å; D109-R112 IonicContact OD1-NH1 3.68Å; D109-R112 VanDerWaalsContact OD2-CD 3.29Å; D109-R112 WeakPolarHBondContact OD2-CD 3.46Å; D109-R112 IonicContact OD2-CZ 2.74Å; D109-R112 IonicContact OD2-NE 2.7Å; D109-R112 IonicContact OD2-NH1 3.1Å; D109-R112 PolarHBondContact OD2-NH1 3.02Å; R112-F114 VanDerWaalsContact C-N 3.34Å; R112-A115 WeakPolarHBondContact O-CB 3.21Å
113P50.5Low51.8Low81 Ų8183.8 Ų83.853%0.52647%0.473SS..G310 helixtrans-80.4-10.4173.631.7-34.4000114C111C111-P113 VanDerWaalsContact C-CD 3.43Å
114F48.3Very low52.5Low122 Ų12279.9 Ų79.954%0.53544%0.444SS..G310 helixtrans-99.9-2.8174.6-58.7-72.5000112.8C111 R112 A116C111-F114 PolarHBondContact O-N 3.35Å; C111-F114 VanDerWaalsContact O-N 3.12Å; R112-F114 VanDerWaalsContact C-N 3.34Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.22Å
115A46.3Very low53.7Low39 Ų3973.4 Ų73.432%0.32242%0.416SS..SBendtrans-71.7-19.1-176.400000114Y59 C111 R112Y59-A115 HydrophobicContact CD1-CB 3.77Å; Y59-A115 HydrophobicContact CE1-CB 3.51Å; C111-A115 PolarHBondContact O-N 2.73Å; R112-A115 WeakPolarHBondContact O-CB 3.21Å
116A50.5Low54.8Low46 Ų4669.5 Ų69.538%0.3839%0.388SS..SBendtrans-102.960.6-177.500000111.7F114F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.22Å
117H57.9Low56.2Low79 Ų7964.9 Ų64.937%0.36637%0.373SS..  trans-124.8126.2-176.7-148.4-72.2000112.5I119H117-I119 PolarHBondContact O-N 3.47Å; H117-I119 VanDerWaalsContact O-N 3.12Å
118C56.6Low57.4Low55 Ų5564.8 Ų64.837%0.37235%0.351SS..  trans-65110.9166.8-56.60000108D46 G120 P122D46-C118 WeakPolarHBondContact OD1-CA 3.08Å; C118-G120 VanDerWaalsContact C-N 3.32Å; C118-P122 WeakPolarHBondContact O-CD 3.17Å
119I62.9Low58.4Low7 Ų759 Ų594%0.03632%0.323CS..SBendtrans-77.6-25.1-175.9-164.775.4000110.9D46 C49 L61 C65 H117 Y121 P122 V123D46-I119 PolarHBondContact OD1-N 3.4Å; C49-I119 HydrophobicContact CB-CG2 3.49Å; C49-I119 VanDerWaalsContact CB-CG2 3.49Å; L61-I119 HydrophobicContact CB-CD1 4.04Å; C65-I119 HydrophobicContact CB-CD1 4.02Å; H117-I119 PolarHBondContact O-N 3.47Å; H117-I119 VanDerWaalsContact O-N 3.12Å; I119-Y121 VanDerWaalsContact C-N 3.34Å; I119-Y121 PolarHBondContact O-N 3.17Å; I119-P122 VanDerWaalsContact O-CD 3.32Å; I119-P122 WeakPolarHBondContact O-CD 3.18Å; I119-V123 HydrophobicContact CG1-CG2 4.26Å; I119-V123 VanDerWaalsContact O-CG2 3.29Å; I119-V123 WeakPolarHBondContact O-CG2 3.39Å; I119-V123 PolarHBondContact O-N 2.94Å; I119-V123 VanDerWaalsContact O-N 3.07Å
120G63.8Low59.6Low0 Ų059.1 Ų59.10%032%0.324CS..Hα-helixtrans-61.2-36-178.400000113.3D46 C118 V123 V124D46-G120 WeakPolarHBondContact OD1-CA 3.4Å; D46-G120 PolarHBondContact OD1-N 3.3Å; C118-G120 VanDerWaalsContact C-N 3.32Å; G120-V123 PolarHBondContact O-N 2.88Å; G120-V124 VanDerWaalsContact O-CB 3.28Å; G120-V124 WeakPolarHBondContact O-CB 3.22Å; G120-V124 VanDerWaalsContact O-CG2 3.27Å; G120-V124 WeakPolarHBondContact O-CG2 3.47Å; G120-V124 PolarHBondContact O-N 2.79Å
121Y58.1Low60.7Low60 Ų6059.3 Ų59.324%0.23532%0.319CS..Hα-helixtrans-67.1-50.6179-176.7-92.1000113L18 T22 F38 I119 V123 V124 T125L18-Y121 HydrophobicContact CD2-CE1 4.41Å; T22-Y121 HydrophobicContact CG2-CE2 3.89Å; T22-Y121 WeakPolarHBondContact OG1-CE2 3.42Å; T22-Y121 PolarHBondContact OG1-OH 3Å; F38-Y121 HydrophobicContact CE1-CD2 4.3Å; F38-Y121 HydrophobicContact CE1-CE2 4.18Å; F38-Y121 HydrophobicContact CZ-CD2 4.22Å; F38-Y121 AromaticContact CZ-CE2 3.94Å; F38-Y121 HydrophobicContact CZ-CE2 3.94Å; I119-Y121 VanDerWaalsContact C-N 3.34Å; I119-Y121 PolarHBondContact O-N 3.17Å; Y121-V123 PolarHBondContact O-N 3.4Å; Y121-V124 PolarHBondContact O-N 3.26Å; Y121-T125 VanDerWaalsContact O-CB 3.27Å; Y121-T125 WeakPolarHBondContact O-CB 3.28Å; Y121-T125 PolarHBondContact O-N 2.82Å; Y121-T125 PolarHBondContact O-OG1 2.74Å
122P64.2Low61.9Low15 Ų1559.8 Ų59.810%0.09732%0.322CS..Hα-helixtrans-55-44.6167.8-28.234.5000113.8C65 C118 I119 T125 L126C65-P122 HydrophobicContact CB-CB 4.12Å; C118-P122 WeakPolarHBondContact O-CD 3.17Å; I119-P122 VanDerWaalsContact O-CD 3.32Å; I119-P122 WeakPolarHBondContact O-CD 3.18Å; P122-T125 PolarHBondContact O-N 3.08Å; P122-L126 WeakPolarHBondContact O-CB 3.21Å; P122-L126 VanDerWaalsContact O-CG 3.29Å; P122-L126 WeakPolarHBondContact O-CG 3.27Å; P122-L126 PolarHBondContact O-N 3.01Å
123V64Low63.3Low58 Ų5856.4 Ų56.435%0.35232%0.316SS..Hα-helixtrans-64.3-44.9-178.91690000111.9I119 G120 Y121 G127I119-V123 HydrophobicContact CG1-CG2 4.26Å; I119-V123 VanDerWaalsContact O-CG2 3.29Å; I119-V123 WeakPolarHBondContact O-CG2 3.39Å; I119-V123 PolarHBondContact O-N 2.94Å; I119-V123 VanDerWaalsContact O-N 3.07Å; G120-V123 PolarHBondContact O-N 2.88Å; Y121-V123 PolarHBondContact O-N 3.4Å; V123-G127 PolarHBondContact O-N 2.95Å
124V65.7Low64.5Low11 Ų1157.6 Ų57.67%0.06732%0.316CS..Hα-helixtrans-68.3-41176.9170.60000110.8F38 T41 A42 A45 G120 Y121 G127 F128F38-V124 HydrophobicContact CD2-CG1 4.03Å; F38-V124 HydrophobicContact CE2-CG1 3.55Å; F38-V124 HydrophobicContact CZ-CG1 3.96Å; T41-V124 HydrophobicContact CG2-CG2 4.04Å; A42-V124 HydrophobicContact CB-CG2 4.38Å; A45-V124 HydrophobicContact CB-CG2 4.06Å; G120-V124 VanDerWaalsContact O-CB 3.28Å; G120-V124 WeakPolarHBondContact O-CB 3.22Å; G120-V124 VanDerWaalsContact O-CG2 3.27Å; G120-V124 WeakPolarHBondContact O-CG2 3.47Å; G120-V124 PolarHBondContact O-N 2.79Å; Y121-V124 PolarHBondContact O-N 3.26Å; V124-G127 CarbonylContact O-C 3.53Å; V124-G127 WeakPolarHBondContact O-CA 3.47Å; V124-G127 PolarHBondContact O-N 3.26Å; V124-G127 VanDerWaalsContact O-N 3.1Å; V124-F128 HydrophobicContact CG1-CD2 3.76Å; V124-F128 HydrophobicContact CG1-CE2 3.61Å; V124-F128 VanDerWaalsContact O-CD2 3.26Å; V124-F128 WeakPolarHBondContact O-CD2 3.29Å; V124-F128 PolarHBondContact O-N 3.22Å
125T67.4Low65.7Low34 Ų3455.3 Ų55.321%0.20932%0.315CS..Hα-helixtrans-61.2-46.8175.5-56.60000111.2Y121 P122 G127 F128 S129Y121-T125 VanDerWaalsContact O-CB 3.27Å; Y121-T125 WeakPolarHBondContact O-CB 3.28Å; Y121-T125 PolarHBondContact O-N 2.82Å; Y121-T125 PolarHBondContact O-OG1 2.74Å; P122-T125 PolarHBondContact O-N 3.08Å; T125-G127 VanDerWaalsContact C-N 3.28Å; T125-G127 PolarHBondContact O-N 3.44Å; T125-F128 PolarHBondContact O-N 2.91Å; T125-S129 PolarHBondContact O-N 3.3Å; T125-S129 PolarHBondContact O-OG 2.75Å
126L65.3Low67.3Low49 Ų4957.7 Ų57.726%0.25732%0.32SS..Hα-helixtrans-62.6-35.3172.4-72.6171.5000111.8W72 P122 S129 L130W72-L126 HydrophobicContact CE3-CD2 4.36Å; P122-L126 WeakPolarHBondContact O-CB 3.21Å; P122-L126 VanDerWaalsContact O-CG 3.29Å; P122-L126 WeakPolarHBondContact O-CG 3.27Å; P122-L126 PolarHBondContact O-N 3.01Å; L126-S129 WeakPolarHBondContact O-CB 3.41Å; L126-S129 PolarHBondContact O-N 3.4Å; L126-L130 WeakPolarHBondContact O-CB 3.44Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.21Å; L126-L130 PolarHBondContact O-N 3Å
127G73.3Confident68.6Low37 Ų3759.9 Ų59.938%0.38132%0.322SS..Hα-helixtrans-60.3-43.1171.700000112.8V123 V124 T125 K131V123-G127 PolarHBondContact O-N 2.95Å; V124-G127 CarbonylContact O-C 3.53Å; V124-G127 WeakPolarHBondContact O-CA 3.47Å; V124-G127 PolarHBondContact O-N 3.26Å; V124-G127 VanDerWaalsContact O-N 3.1Å; T125-G127 VanDerWaalsContact C-N 3.28Å; T125-G127 PolarHBondContact O-N 3.44Å; G127-K131 WeakPolarHBondContact O-CB 3.36Å; G127-K131 PolarHBondContact O-N 3.07Å
128F69.2Low69.6Low73 Ų7361.5 Ų61.532%0.3233%0.328SS..Hα-helixtrans-67.9-40.3172.7-81.9-74.8000112.4F34 F38 V124 T125 K131 S132F34-F128 HydrophobicContact CE2-CE1 4.41Å; F34-F128 HydrophobicContact CE2-CZ 4.44Å; F34-F128 AromaticContact CZ-CE1 3.77Å; F34-F128 HydrophobicContact CZ-CE1 3.77Å; F34-F128 AromaticContact CZ-CZ 3.82Å; F34-F128 HydrophobicContact CZ-CZ 3.82Å; F38-F128 HydrophobicContact CD2-CD2 4.26Å; F38-F128 AromaticContact CD2-CE2 3.47Å; F38-F128 HydrophobicContact CD2-CE2 3.47Å; F38-F128 VanDerWaalsContact CD2-CE2 3.47Å; F38-F128 HydrophobicContact CD2-CZ 4.07Å; F38-F128 AromaticContact CE2-CD2 3.93Å; F38-F128 HydrophobicContact CE2-CD2 3.93Å; F38-F128 AromaticContact CE2-CE2 3.6Å; F38-F128 HydrophobicContact CE2-CE2 3.6Å; V124-F128 HydrophobicContact CG1-CD2 3.76Å; V124-F128 HydrophobicContact CG1-CE2 3.61Å; V124-F128 VanDerWaalsContact O-CD2 3.26Å; V124-F128 WeakPolarHBondContact O-CD2 3.29Å; V124-F128 PolarHBondContact O-N 3.22Å; T125-F128 PolarHBondContact O-N 2.91Å; F128-K131 PolarHBondContact O-N 2.78Å; F128-S132 VanDerWaalsContact O-CB 3.28Å; F128-S132 WeakPolarHBondContact O-CB 3.42Å; F128-S132 PolarHBondContact O-N 3.16Å
129S70.2Confident70.9Confident20 Ų2065.2 Ų65.214%0.1433%0.334CS..Hα-helixtrans-59.7-47173-70.30000112.3W72 T125 L126 S132 M133W72-S129 VanDerWaalsContact CZ2-CB 3.41Å; W72-S129 WeakPolarHBondContact CZ2-OG 3.41Å; T125-S129 PolarHBondContact O-N 3.3Å; T125-S129 PolarHBondContact O-OG 2.75Å; L126-S129 WeakPolarHBondContact O-CB 3.41Å; L126-S129 PolarHBondContact O-N 3.4Å; S129-S132 PolarHBondContact O-N 2.92Å; S129-M133 VanDerWaalsContact O-CB 3.31Å; S129-M133 WeakPolarHBondContact O-CB 3.46Å; S129-M133 PolarHBondContact O-N 3.42Å
130L71Confident71.8Confident100 Ų10068 Ų6852%0.52435%0.349SS..Hα-helixtrans-66.2-40.9176-71.6173000111.7L126 S132 M133 I134L126-L130 WeakPolarHBondContact O-CB 3.44Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.21Å; L126-L130 PolarHBondContact O-N 3Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 3.1Å; L130-M133 HydrophobicContact CD2-CE 3.77Å; L130-M133 PolarHBondContact O-N 2.81Å; L130-I134 WeakPolarHBondContact O-CB 3.32Å; L130-I134 WeakPolarHBondContact O-CG2 3.28Å; L130-I134 PolarHBondContact O-N 2.89Å
131K75.4Confident72.8Confident137 Ų13776 Ų7660%0.59638%0.379SS*.Hα-helixtrans-61.9-41.1174-177.2-176.8175700111.5G127 F128 I134 S135G127-K131 WeakPolarHBondContact O-CB 3.36Å; G127-K131 PolarHBondContact O-N 3.07Å; F128-K131 PolarHBondContact O-N 2.78Å; K131-I134 WeakPolarHBondContact O-CG2 3.44Å; K131-S135 WeakPolarHBondContact O-CB 3.31Å; K131-S135 PolarHBondContact O-N 2.83Å
132S74Confident73.9Confident56 Ų5680.9 Ų80.939%0.39240%0.397SS..Hα-helixtrans-66.9-48.4176.2-171.60000110.7F128 S129 L130 I134 S135 H136F128-S132 VanDerWaalsContact O-CB 3.28Å; F128-S132 WeakPolarHBondContact O-CB 3.42Å; F128-S132 PolarHBondContact O-N 3.16Å; S129-S132 PolarHBondContact O-N 2.92Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 3.1Å; S132-I134 PolarHBondContact O-N 3.46Å; S132-S135 PolarHBondContact O-N 2.84Å; S132-H136 VanDerWaalsContact O-CB 3.25Å; S132-H136 WeakPolarHBondContact O-CB 3.3Å; S132-H136 PolarHBondContact O-N 3.47Å
133M75.2Confident74.9Confident106 Ų10685.1 Ų85.152%0.52242%0.416SS..Hα-helixtrans-60.9-45.8177.6-174.2-174.572.400112.6S129 L130 H136 H137S129-M133 VanDerWaalsContact O-CB 3.31Å; S129-M133 WeakPolarHBondContact O-CB 3.46Å; S129-M133 PolarHBondContact O-N 3.42Å; L130-M133 HydrophobicContact CD2-CE 3.77Å; L130-M133 PolarHBondContact O-N 2.81Å; M133-H136 PolarHBondContact O-N 2.81Å; M133-H137 WeakPolarHBondContact O-CB 3.34Å; M133-H137 PolarHBondContact O-N 3.49Å
134I74.9Confident76.1Confident105 Ų10589.1 Ų89.154%0.53843%0.428SS..Hα-helixtrans-70.6-35.9178.8-156.270.3000111.3L130 K131 S132 H137 F138L130-I134 WeakPolarHBondContact O-CB 3.32Å; L130-I134 WeakPolarHBondContact O-CG2 3.28Å; L130-I134 PolarHBondContact O-N 2.89Å; K131-I134 WeakPolarHBondContact O-CG2 3.44Å; S132-I134 PolarHBondContact O-N 3.46Å; I134-H137 PolarHBondContact O-N 3.11Å; I134-F138 VanDerWaalsContact O-CB 3.23Å; I134-F138 WeakPolarHBondContact O-CB 3.41Å; I134-F138 PolarHBondContact O-N 3.07Å
135S74.1Confident77.2Confident74 Ų7493.5 Ų93.552%0.51745%0.451SS..Hα-helixtrans-64.5-43.5172.8-178.70000111.3K131 S132 F138 R139K131-S135 WeakPolarHBondContact O-CB 3.31Å; K131-S135 PolarHBondContact O-N 2.83Å; S132-S135 PolarHBondContact O-N 2.84Å; S135-F138 PolarHBondContact O-N 3.27Å; S135-R139 VanDerWaalsContact O-CB 3.23Å; S135-R139 WeakPolarHBondContact O-CB 3.29Å; S135-R139 PolarHBondContact O-N 3.34Å
136H78.9Confident78.1Confident89 Ų8995.2 Ų95.241%0.41246%0.461SS..Hα-helixtrans-60.3-49.1174.5-176.4-114.6000111.2S132 M133 F138 R139 L140S132-H136 VanDerWaalsContact O-CB 3.25Å; S132-H136 WeakPolarHBondContact O-CB 3.3Å; S132-H136 PolarHBondContact O-N 3.47Å; M133-H136 PolarHBondContact O-N 2.81Å; H136-F138 PolarHBondContact O-N 3.25Å; H136-R139 WeakPolarHBondContact O-CB 3.46Å; H136-R139 PolarHBondContact O-N 2.98Å; H136-L140 WeakPolarHBondContact CE1-CD1 3.36Å; H136-L140 PolarHBondContact O-N 3.31Å
137H78.7Confident79.3Confident92 Ų9298.5 Ų98.543%0.42648%0.475SS..Hα-helixtrans-64.7-38178.6-170.1-116.4000112.6M133 I134 R141M133-H137 WeakPolarHBondContact O-CB 3.34Å; M133-H137 PolarHBondContact O-N 3.49Å; I134-H137 PolarHBondContact O-N 3.11Å; H137-R141 PolarHBondContact CE1-NE 3.41Å; H137-R141 WeakPolarHBondContact O-CG 3.42Å; H137-R141 PolarHBondContact O-N 2.98Å
138F79.2Confident80.1Confident113 Ų11399 Ų9950%0.49648%0.476SS..Hα-helixtrans-69.6-37.8173.6-172.8-104.5000112.4I134 S135 H136 R141 R142I134-F138 VanDerWaalsContact O-CB 3.23Å; I134-F138 WeakPolarHBondContact O-CB 3.41Å; I134-F138 PolarHBondContact O-N 3.07Å; S135-F138 PolarHBondContact O-N 3.27Å; H136-F138 PolarHBondContact O-N 3.25Å; F138-R141 PolarHBondContact O-N 3.27Å; F138-R142 HydrophobicContact CD1-CG 4.49Å; F138-R142 HydrophobicContact CE1-CG 4.17Å; F138-R142 VanDerWaalsContact CE1-NE 3.26Å; F138-R142 HydrophobicContact CZ-CG 4.41Å; F138-R142 PolarHBondContact O-N 2.83Å
139R84.3Confident81Confident133 Ų133100.1 Ų100.150%0.50248%0.482SS..Hα-helixtrans-62.5-45.1173-175.2175.371.9176.42111.1S135 H136 R142 Q143S135-R139 VanDerWaalsContact O-CB 3.23Å; S135-R139 WeakPolarHBondContact O-CB 3.29Å; S135-R139 PolarHBondContact O-N 3.34Å; H136-R139 WeakPolarHBondContact O-CB 3.46Å; H136-R139 PolarHBondContact O-N 2.98Å; R139-R142 PolarHBondContact O-N 3.41Å; R139-Q143 WeakPolarHBondContact O-CB 3.49Å; R139-Q143 VanDerWaalsContact O-CG 3.31Å; R139-Q143 WeakPolarHBondContact O-CG 3.32Å; R139-Q143 PolarHBondContact O-N 2.93Å
140L80.8Confident81.9Confident66 Ų66103.6 Ų103.635%0.34650%0.499SS..Hα-helixtrans-60.2-43.4173.3-91146.5000112.3H136 Q143 K144H136-L140 WeakPolarHBondContact CE1-CD1 3.36Å; H136-L140 PolarHBondContact O-N 3.31Å; L140-Q143 PolarHBondContact O-N 3.28Å; L140-K144 WeakPolarHBondContact O-CG 3.47Å; L140-K144 PolarHBondContact O-N 2.92Å
141R84.7Confident82.7Confident168 Ų168103.5 Ų103.563%0.63450%0.498SS*.Hα-helixtrans-62.4-42.5173.9-75.8179.4175.1-164.9-3.9112.2H137 F138 L145H137-R141 PolarHBondContact CE1-NE 3.41Å; H137-R141 WeakPolarHBondContact O-CG 3.42Å; H137-R141 PolarHBondContact O-N 2.98Å; F138-R141 PolarHBondContact O-N 3.27Å; R141-L145 WeakPolarHBondContact O-CB 3.36Å; R141-L145 PolarHBondContact O-N 3.35Å
142R81.9Confident83.4Confident162 Ų162100.2 Ų100.261%0.61149%0.49SS*.Hα-helixtrans-65.6-40.9174.5-81.8-167.9168.7-173.4-0.8112.5F138 R139 L145 V146F138-R142 HydrophobicContact CD1-CG 4.49Å; F138-R142 HydrophobicContact CE1-CG 4.17Å; F138-R142 VanDerWaalsContact CE1-NE 3.26Å; F138-R142 HydrophobicContact CZ-CG 4.41Å; F138-R142 PolarHBondContact O-N 2.83Å; R139-R142 PolarHBondContact O-N 3.41Å; R142-L145 PolarHBondContact O-N 2.86Å; R142-V146 WeakPolarHBondContact O-CB 3.43Å; R142-V146 VanDerWaalsContact O-CG2 3.32Å; R142-V146 WeakPolarHBondContact O-CG2 3.34Å; R142-V146 PolarHBondContact O-N 2.75Å
143Q85.6Confident84.1Confident105 Ų105103.4 Ų103.449%0.49150%0.497SS..Hα-helixtrans-59.3-48.9176-78.2170-2900110.9R139 L140 L145 V146 E147R139-Q143 WeakPolarHBondContact O-CB 3.49Å; R139-Q143 VanDerWaalsContact O-CG 3.31Å; R139-Q143 WeakPolarHBondContact O-CG 3.32Å; R139-Q143 PolarHBondContact O-N 2.93Å; L140-Q143 PolarHBondContact O-N 3.28Å; Q143-L145 VanDerWaalsContact C-N 3.33Å; Q143-L145 PolarHBondContact O-N 2.91Å; Q143-V146 PolarHBondContact O-N 2.81Å; Q143-E147 VanDerWaalsContact O-CB 3.27Å; Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 PolarHBondContact O-N 3.43Å
144K89.3Confident84.6Confident142 Ų142103.7 Ų103.762%0.61750%0.495SS*.Hα-helixtrans-62-36.7175.7-70.4-175176.3-165.90113.6L140 A148L140-K144 WeakPolarHBondContact O-CG 3.47Å; L140-K144 PolarHBondContact O-N 2.92Å; K144-A148 WeakPolarHBondContact O-CB 3.27Å; K144-A148 PolarHBondContact O-N 3.46Å
145L88.4Confident85.2Confident102 Ų102101.6 Ų101.653%0.53449%0.49SS..Hα-helixtrans-69.9-42.1177.3-173150.3000111.7R141 R142 Q143 A148 Q149R141-L145 WeakPolarHBondContact O-CB 3.36Å; R141-L145 PolarHBondContact O-N 3.35Å; R142-L145 PolarHBondContact O-N 2.86Å; Q143-L145 VanDerWaalsContact C-N 3.33Å; Q143-L145 PolarHBondContact O-N 2.91Å; L145-A148 PolarHBondContact O-N 3.21Å; L145-Q149 HydrophobicContact CD2-CG 4.38Å; L145-Q149 WeakPolarHBondContact O-CG 3.2Å; L145-Q149 PolarHBondContact O-N 3.13Å
146V85.9Confident85.9Confident70 Ų70102.9 Ų102.942%0.42449%0.49SS..Hα-helixtrans-67.1-38.5174.7170.90000111R142 Q143 Q149 N150R142-V146 WeakPolarHBondContact O-CB 3.43Å; R142-V146 VanDerWaalsContact O-CG2 3.32Å; R142-V146 WeakPolarHBondContact O-CG2 3.34Å; R142-V146 PolarHBondContact O-N 2.75Å; Q143-V146 PolarHBondContact O-N 2.81Å; V146-Q149 PolarHBondContact O-N 3.12Å; V146-N150 VanDerWaalsContact O-CB 3.3Å; V146-N150 WeakPolarHBondContact O-CB 3.29Å; V146-N150 PolarHBondContact O-N 3Å; V146-N150 PolarHBondContact O-OD1 3.4Å
147E90.9Very high86.1Confident118 Ų118103.9 Ų103.955%0.55150%0.498SS*.Hα-helixtrans-60.5-48.3173.2-177.5178.5-167.700111.5Q143 Q149 N150 I151Q143-E147 VanDerWaalsContact O-CB 3.27Å; Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 PolarHBondContact O-N 3.43Å; E147-Q149 VanDerWaalsContact C-N 3.34Å; E147-Q149 PolarHBondContact O-N 3.21Å; E147-N150 PolarHBondContact O-N 2.88Å; E147-I151 HydrophobicContact CG-CD1 4.04Å; E147-I151 VanDerWaalsContact O-CG1 3.28Å; E147-I151 WeakPolarHBondContact O-CG1 3.4Å; E147-I151 PolarHBondContact O-N 2.93Å
148A89.6Confident86.2Confident49 Ų49102.3 Ų102.341%0.40549%0.491SS..Hα-helixtrans-62.5-37.617600000113.1K144 L145 T152K144-A148 WeakPolarHBondContact O-CB 3.27Å; K144-A148 PolarHBondContact O-N 3.46Å; L145-A148 PolarHBondContact O-N 3.21Å; A148-T152 WeakPolarHBondContact O-CB 3.35Å; A148-T152 PolarHBondContact O-N 3.3Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 2.93Å
149Q88.6Confident86.3Confident96 Ų96105 Ų10545%0.44950%0.504SS..Hα-helixtrans-66.6-45.6172.6-75.6-179.4-24.300111.6L145 V146 E147 I151 T152 F153L145-Q149 HydrophobicContact CD2-CG 4.38Å; L145-Q149 WeakPolarHBondContact O-CG 3.2Å; L145-Q149 PolarHBondContact O-N 3.13Å; V146-Q149 PolarHBondContact O-N 3.12Å; E147-Q149 VanDerWaalsContact C-N 3.34Å; E147-Q149 PolarHBondContact O-N 3.21Å; Q149-I151 PolarHBondContact O-N 2.93Å; Q149-T152 WeakPolarHBondContact O-CB 3.26Å; Q149-T152 PolarHBondContact O-N 3.26Å; Q149-T152 VanDerWaalsContact O-N 3.11Å; Q149-F153 HydrophobicContact CB-CD2 4.42Å; Q149-F153 HydrophobicContact CB-CE2 4.07Å; Q149-F153 WeakPolarHBondContact O-CD2 3.45Å; Q149-F153 WeakPolarHBondContact O-CG 3.24Å; Q149-F153 PolarHBondContact O-N 3.21Å
150N87.7Confident86.1Confident93 Ų93102.3 Ų102.350%0.49751%0.511SS..Hα-helixtrans-61.6-41.2178.1-71.5-6.4000112.1V146 E147 T152 F153 F154V146-N150 VanDerWaalsContact O-CB 3.3Å; V146-N150 WeakPolarHBondContact O-CB 3.29Å; V146-N150 PolarHBondContact O-N 3Å; V146-N150 PolarHBondContact O-OD1 3.4Å; E147-N150 PolarHBondContact O-N 2.88Å; N150-T152 VanDerWaalsContact C-N 3.33Å; N150-F153 PolarHBondContact O-N 2.99Å; N150-F154 WeakPolarHBondContact O-CB 3.28Å; N150-F154 PolarHBondContact O-N 2.87Å
151I89.1Confident85.8Confident98 Ų98101.7 Ų101.750%0.50351%0.508SS..Hα-helixtrans-61.4-44173.2-69.1163.7000110.1E147 Q149 F154 S155E147-I151 HydrophobicContact CG-CD1 4.04Å; E147-I151 VanDerWaalsContact O-CG1 3.28Å; E147-I151 WeakPolarHBondContact O-CG1 3.4Å; E147-I151 PolarHBondContact O-N 2.93Å; Q149-I151 PolarHBondContact O-N 2.93Å; I151-F154 WeakPolarHBondContact O-CB 3.31Å; I151-F154 PolarHBondContact O-N 3.42Å; I151-S155 PolarHBondContact O-N 3.45Å; I151-S155 PolarHBondContact O-OG 3.38Å
152T89.7Confident85.2Confident68 Ų6897.6 Ų97.642%0.41750%0.503SS..Hα-helixtrans-62.7-45.7178.2-550000111.6A148 Q149 N150 F154 S155 I156A148-T152 WeakPolarHBondContact O-CB 3.35Å; A148-T152 PolarHBondContact O-N 3.3Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 2.93Å; Q149-T152 WeakPolarHBondContact O-CB 3.26Å; Q149-T152 PolarHBondContact O-N 3.26Å; Q149-T152 VanDerWaalsContact O-N 3.11Å; N150-T152 VanDerWaalsContact C-N 3.33Å; T152-F154 VanDerWaalsContact C-N 3.32Å; T152-F154 PolarHBondContact O-N 2.98Å; T152-S155 PolarHBondContact O-N 2.92Å; T152-I156 HydrophobicContact CG2-CD1 4.2Å; T152-I156 WeakPolarHBondContact O-CG1 3.43Å; T152-I156 PolarHBondContact O-N 2.89Å; T152-I156 VanDerWaalsContact O-N 3.1Å
153F88.4Confident84.2Confident123 Ų12398.7 Ų98.754%0.53951%0.512SS..Hα-helixtrans-62.3-38.6174.1-67.7-53.3000112Q149 N150 I156 L157Q149-F153 HydrophobicContact CB-CD2 4.42Å; Q149-F153 HydrophobicContact CB-CE2 4.07Å; Q149-F153 WeakPolarHBondContact O-CD2 3.45Å; Q149-F153 WeakPolarHBondContact O-CG 3.24Å; Q149-F153 PolarHBondContact O-N 3.21Å; N150-F153 PolarHBondContact O-N 2.99Å; F153-I156 PolarHBondContact O-N 2.84Å; F153-L157 WeakPolarHBondContact O-CB 3.41Å; F153-L157 VanDerWaalsContact O-CG 3.29Å; F153-L157 WeakPolarHBondContact O-CG 3.37Å; F153-L157 PolarHBondContact O-N 3.34Å
154F86.4Confident83.1Confident112 Ų112101.7 Ų101.749%0.49153%0.526SS..Hα-helixtrans-64.3-44.5176.2-169.4-88.1000111.7N150 I151 T152 I156 L157 E158 L169N150-F154 WeakPolarHBondContact O-CB 3.28Å; N150-F154 PolarHBondContact O-N 2.87Å; I151-F154 WeakPolarHBondContact O-CB 3.31Å; I151-F154 PolarHBondContact O-N 3.42Å; T152-F154 VanDerWaalsContact C-N 3.32Å; T152-F154 PolarHBondContact O-N 2.98Å; F154-I156 VanDerWaalsContact C-N 3.35Å; F154-I156 PolarHBondContact O-N 3.49Å; F154-L157 PolarHBondContact O-N 2.98Å; F154-E158 WeakPolarHBondContact O-CB 3.5Å; F154-E158 PolarHBondContact O-N 3.37Å; F154-L169 HydrophobicContact CE2-CD2 4.43Å; F154-L169 HydrophobicContact CZ-CD2 3.87Å
155S87.4Confident81.7Confident61 Ų6199.1 Ų99.143%0.42752%0.519SS..Hα-helixtrans-61.4-39.9175.7-61.40000112.8I151 T152 E158 E159I151-S155 PolarHBondContact O-N 3.45Å; I151-S155 PolarHBondContact O-OG 3.38Å; T152-S155 PolarHBondContact O-N 2.92Å; S155-E158 PolarHBondContact O-N 3.35Å; S155-E159 WeakPolarHBondContact O-CB 3.46Å; S155-E159 PolarHBondContact O-N 3.42Å
156I88.8Confident80.4Confident101 Ų10199.4 Ų99.452%0.51851%0.513SS..Hα-helixtrans-65.7-39.2175.6-65.3163.8000110.9T152 F153 F154 A160T152-I156 HydrophobicContact CG2-CD1 4.2Å; T152-I156 WeakPolarHBondContact O-CG1 3.43Å; T152-I156 PolarHBondContact O-N 2.89Å; T152-I156 VanDerWaalsContact O-N 3.1Å; F153-I156 PolarHBondContact O-N 2.84Å; F154-I156 VanDerWaalsContact C-N 3.35Å; F154-I156 PolarHBondContact O-N 3.49Å; I156-A160 VanDerWaalsContact O-CB 3.31Å; I156-A160 WeakPolarHBondContact O-CB 3.33Å; I156-A160 PolarHBondContact O-N 3.27Å
157L83.5Confident79.1Confident109 Ų109100.5 Ų100.557%0.57152%0.523SS*.Hα-helixtrans-67.4-39175.1-73.4166.7000112.3F153 F154 A160 L161F153-L157 WeakPolarHBondContact O-CB 3.41Å; F153-L157 VanDerWaalsContact O-CG 3.29Å; F153-L157 WeakPolarHBondContact O-CG 3.37Å; F153-L157 PolarHBondContact O-N 3.34Å; F154-L157 PolarHBondContact O-N 2.98Å; L157-A160 PolarHBondContact O-N 2.81Å; L157-L161 WeakPolarHBondContact O-CD1 3.44Å; L157-L161 PolarHBondContact O-N 3.37Å
158E79.1Confident77.6Confident60 Ų60104 Ų10428%0.2853%0.532SS..Hα-helixtrans-64.8-44.8176.5-164.8177-177.800110.7F154 S155 A160 L161 W166F154-E158 WeakPolarHBondContact O-CB 3.5Å; F154-E158 PolarHBondContact O-N 3.37Å; S155-E158 PolarHBondContact O-N 3.35Å; E158-A160 PolarHBondContact O-N 3.5Å; E158-L161 PolarHBondContact O-N 2.86Å; E158-W166 HydrophobicContact CG-CD2 4.3Å; E158-W166 HydrophobicContact CG-CE3 4.26Å; E158-W166 HydrophobicContact CG-CH2 3.76Å; E158-W166 HydrophobicContact CG-CZ2 3.79Å; E158-W166 HydrophobicContact CG-CZ3 3.99Å; E158-W166 WeakPolarHBondContact O-CZ2 3.18Å; E158-W166 PolarHBondContact O-NE1 2.95Å; E158-W166 VanDerWaalsContact O-NE1 3.16Å; E158-W166 WeakPolarHBondContact OE1-CZ3 3.29Å
159E81.9Confident76.1Confident168 Ų168106 Ų10679%0.78554%0.535SS*.Hα-helixtrans-66.7-32.6176.3-173.2165.1-164.500113.3S155 L161S155-E159 WeakPolarHBondContact O-CB 3.46Å; S155-E159 PolarHBondContact O-N 3.42Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 3.46Å
160A80.8Confident74.6Confident78 Ų78108.8 Ų108.865%0.64555%0.546SS*.Hα-helixtrans-77.3-11.4175.200000114.1I156 L157 E158I156-A160 VanDerWaalsContact O-CB 3.31Å; I156-A160 WeakPolarHBondContact O-CB 3.33Å; I156-A160 PolarHBondContact O-N 3.27Å; L157-A160 PolarHBondContact O-N 2.81Å; E158-A160 PolarHBondContact O-N 3.5Å
161L74Confident73Confident52 Ų52108.7 Ų108.727%0.27255%0.553SS.*SBendtrans-85.3132.6-177.7-118.668000111.7L157 E158 E159 K163 L165 W166L157-L161 WeakPolarHBondContact O-CD1 3.44Å; L157-L161 PolarHBondContact O-N 3.37Å; E158-L161 PolarHBondContact O-N 2.86Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 3.46Å; L161-K163 PolarHBondContact O-N 3.03Å; L161-L165 HydrophobicContact CD2-CB 3.73Å; L161-L165 HydrophobicContact CD2-CD2 3.95Å; L161-L165 HydrophobicContact CD2-CG 4.48Å; L161-L165 HydrophobicContact CG-CB 4.23Å; L161-L165 HydrophobicContact CG-CD2 4.33Å; L161-W166 PolarHBondContact O-NE1 3.37Å; L161-W166 VanDerWaalsContact O-NE1 3.09Å
162P71.8Confident71Confident82 Ų82111.4 Ų111.453%0.53257%0.568SS.*  trans-53.4138.6170.5-25.834.6000111.4E164 L165P162-E164 PolarHBondContact O-N 3.23Å; P162-L165 PolarHBondContact O-N 3.05Å
163K62.3Low68.8Low186 Ų186113.7 Ų113.781%0.80958%0.582SS**THydrogen-bonded Turntrans-51.2-22.8-173.9-64.4179.1-179.6177.50114.4L161 W166L161-K163 PolarHBondContact O-N 3.03Å; K163-W166 WeakPolarHBondContact O-CB 3.25Å; K163-W166 PolarHBondContact O-N 3.4Å
164E60.5Low66.5Low168 Ų168114.5 Ų114.579%0.78559%0.591SS**THydrogen-bonded Turntrans-75.2-26.1-177.9-54.1-173.7-133.600112.8P162P162-E164 PolarHBondContact O-N 3.23Å
165L60.9Low64Low87 Ų87114.2 Ų114.246%0.45560%0.6SS.*THydrogen-bonded Turntrans-80.5-19172.7-85.786.8000113.6L161 P162 C167 Y168 L169L161-L165 HydrophobicContact CD2-CB 3.73Å; L161-L165 HydrophobicContact CD2-CD2 3.95Å; L161-L165 HydrophobicContact CD2-CG 4.48Å; L161-L165 HydrophobicContact CG-CB 4.23Å; L161-L165 HydrophobicContact CG-CD2 4.33Å; P162-L165 PolarHBondContact O-N 3.05Å; L165-C167 PolarHBondContact O-N 3.31Å; L165-Y168 PolarHBondContact O-N 3.16Å; L165-L169 PolarHBondContact O-N 2.7Å
166W61.4Low61.4Low109 Ų109121 Ų12141%0.41362%0.622SS.*Hα-helixtrans-60.4-32.6-179.1-73.653.4000112.1E158 L161 K163 K170E158-W166 HydrophobicContact CG-CD2 4.3Å; E158-W166 HydrophobicContact CG-CE3 4.26Å; E158-W166 HydrophobicContact CG-CH2 3.76Å; E158-W166 HydrophobicContact CG-CZ2 3.79Å; E158-W166 HydrophobicContact CG-CZ3 3.99Å; E158-W166 WeakPolarHBondContact O-CZ2 3.18Å; E158-W166 PolarHBondContact O-NE1 2.95Å; E158-W166 VanDerWaalsContact O-NE1 3.16Å; E158-W166 WeakPolarHBondContact OE1-CZ3 3.29Å; L161-W166 PolarHBondContact O-NE1 3.37Å; L161-W166 VanDerWaalsContact O-NE1 3.09Å; K163-W166 WeakPolarHBondContact O-CB 3.25Å; K163-W166 PolarHBondContact O-N 3.4Å; W166-K170 WeakPolarHBondContact O-CB 3.27Å; W166-K170 PolarHBondContact O-N 3.24Å
167C58.3Low59Low93 Ų93121.9 Ų121.963%0.62864%0.637SS**Hα-helixtrans-68.4-31.3176.1-64.70000113.2L165 S171L165-C167 PolarHBondContact O-N 3.31Å; C167-S171 PolarHBondContact O-OG 3.04Å
168Y59.1Low56.7Low192 Ų192126.1 Ų126.175%0.75365%0.651SS**Hα-helixtrans-79.2-45.1176-87.2-86.1000111.5L165 K170 S171L165-Y168 PolarHBondContact O-N 3.16Å; Y168-K170 PolarHBondContact O-N 3.04Å; Y168-S171 PolarHBondContact O-N 3.28Å
169L59.2Low54.6Low89 Ų89131.9 Ų131.947%0.46668%0.677SS.*Hα-helixtrans-62.4-30.3-177.4-135.177.8000113.4F154 L165F154-L169 HydrophobicContact CE2-CD2 4.43Å; F154-L169 HydrophobicContact CZ-CD2 3.87Å; L165-L169 PolarHBondContact O-N 2.7Å
170K57.1Low52.4Low156 Ų156129.2 Ų129.268%0.67868%0.677SS**THydrogen-bonded Turntrans-83.6-11.3-176.3-159.7152.4-171157.50114.5W166 Y168W166-K170 WeakPolarHBondContact O-CB 3.27Å; W166-K170 PolarHBondContact O-N 3.24Å; Y168-K170 PolarHBondContact O-N 3.04Å
171S53Low50.2Low91 Ų91132.9 Ų132.964%0.63669%0.686SS**THydrogen-bonded Turntrans-79.3-22.7-173.1-67.10000113.9C167 Y168C167-S171 PolarHBondContact O-OG 3.04Å; Y168-S171 PolarHBondContact O-N 3.28Å
172D48.3Very low48.2Very low155 Ų155138.4 Ų138.483%0.82971%0.712SS**THydrogen-bonded Turntrans-95.19.9-174.3-77.3-37.3000115.4
173T42.6Very low46.4Very low116 Ų116140.1 Ų140.171%0.71272%0.721SS**SBendtrans-131.444.1-175.7-38.90000115.3
174I40.3Very low45Very low140 Ų140136.7 Ų136.772%0.71872%0.719SS**  trans-141109.5167.6-51.5179.7000113.1
175P33.5Very low43.8Very low106 Ų106136.7 Ų136.769%0.68872%0.719SS**  trans-110.8133.515234.2-25.6000111.7
176K33.9Very low42.6Very low202 Ų202139 Ų13988%0.87873%0.733SS**  trans87.890.1165.7-49.7159.7-174.1168.40117.9
177S36.9Very low41.5Very low121 Ų121141.5 Ų141.585%0.84675%0.754SS**  -149.6143.6129.9590000112.3
178K36.4Very low40.2Very low197 Ų197142.9 Ų142.986%0.85776%0.763SS**  trans-73142.4-178.3-71.6169.9166.2179.20111.8
179H34.2Very low39Very low181 Ų181138.8 Ų138.884%0.83876%0.762SS**  trans59.791.4138.8-119.6-84.8000118.5
180S35.6Very low37.7Very low112 Ų112140.7 Ų140.778%0.78378%0.778SS**  -148.8131.6122.462.70000110.3
181N34.2Very low36.6Very low155 Ų155140.9 Ų140.983%0.82979%0.786SS**  trans-80.3127.1163.5-71.5-32.1000106.9
182M32.8Very low35.6Very low168 Ų168140.9 Ų140.983%0.82879%0.791SS**  trans-134.5114.1152.2-154.1170.185.800109.1
183V33.4Very low35.2Very low119 Ų119140.9 Ų140.972%0.72179%0.789SS**  trans-69.1131.7170.6171.80000108E185V183-E185 HydrophobicContact CG1-CG 4.1Å
184C33.6Very low34.9Very low113 Ų113140.6 Ų140.676%0.76479%0.792SS**  trans-132136.8150.6-83.70000108.2
185E35.7Very low34.4Very low168 Ų168138.9 Ų138.979%0.78579%0.792SS**  trans-88.5150.7-165.1-65.5161.1106.300112.9V183V183-E185 HydrophobicContact CG1-CG 4.1Å
186N35.9Very low34.9Very low137 Ų137140 Ų14073%0.73380%0.8SS**  trans17.2144.1142.6-62.6-17000121.2
187N37.1Very low34.9Very low161 Ų161136.6 Ų136.686%0.86180%0.796SS**  trans94.393.8156.3-47.2-39.3000117.5
188C31.1Very low35Very low121 Ų121135.9 Ų135.982%0.81879%0.791SS**  -162.8112.6116.6-154.80000113.1
189S35.2Very low35.1Very low106 Ų106131.6 Ų131.674%0.74178%0.782SS**  trans45.7100140.6-52.80000121.6
190T30.3Very low35.5Very low130 Ų130129.3 Ų129.380%0.79878%0.78SS**  trans-17.7125.2134.8-52.20000116
191L34.7Very low35.7Very low160 Ų160129.1 Ų129.184%0.83878%0.776SS**  trans-137.997.5145-93.4174.7000109.3
192A32.7Very low35.8Very low90 Ų90128.1 Ų128.174%0.74477%0.771SS**  trans-84.4127.2162.100000108.3
193I39.7Very low36.2Very low156 Ų156127.4 Ų127.480%0.877%0.77SS**  trans-125.5126.9164.9-65.2179.9000108.3
194S35.1Very low36.5Very low110 Ų110127.2 Ų127.277%0.76977%0.769SS**  trans-83.3160.1-169.833.80000113.8
195S31Very low36.8Very low103 Ų103127.8 Ų127.872%0.7277%0.774SS**  trans-60.9151.2171.7520000114.7
196P43.3Very low37Very low131 Ų131125.6 Ų125.685%0.85178%0.777SS**  trans-108.6137.3152.434.4-26.1000112.6
197T33.2Very low37.1Very low129 Ų129122.1 Ų122.179%0.79177%0.774SS**  trans-104.4140.6176.8-58.70000110.9
198S40Very low37.2Very low107 Ų107122.8 Ų122.875%0.74877%0.771SS**  trans-160.3109.8159.8-173.60000107.8
199T37.8Very low37.7Very low107 Ų107123.6 Ų123.666%0.65677%0.766SS**  54.8117.377.9-43.20000110.6
200V42.3Very low37.9Very low133 Ų133123.1 Ų123.181%0.80676%0.761SS**  -153.2-178.672.2-125.40000112.1
201P40.4Very low38Very low108 Ų108124.5 Ų124.570%0.70176%0.758SS**  -136-176.1-122.142.6-21.3000119.2
202N36.9Very low38.2Very low133 Ų133124.1 Ų124.171%0.71176%0.756SS**  trans73114.7143.9-111.914.6000122.1
203L40.4Very low38.4Very low154 Ų154125.9 Ų125.981%0.80675%0.753SS**  -170.8100.6107.9-123.968.2000114.5
204T39.3Very low38.1Very low115 Ų115128.7 Ų128.771%0.70675%0.754SS**  trans23.7119144.557.80000123.8
205S41.6Very low38.2Very low124 Ų124128.7 Ų128.787%0.86775%0.749SS**  162.1153.8114.862.30000111.5
206S38.3Very low38.4Very low122 Ų122129.7 Ų129.785%0.85375%0.746SS**  cis-160.3136.1-37.9-169.30000109.8
207G39.1Very low38Very low65 Ų65130.5 Ų130.567%0.6775%0.748SS**  trans84.6154168.600000118.2
208H37.9Very low38.3Very low174 Ų174131.5 Ų131.581%0.80675%0.748SS**  cis-167.2127.5-10.6-143.9-132000112.2
209I43.5Very low38Very low138 Ų138135 Ų13571%0.70875%0.752SS**  trans62.4166.9156.69.4177.5000121.6
210P38.5Very low38.1Very low96 Ų96134.9 Ų134.962%0.62376%0.755SS**  -136.8-166.8-100.448.9-30.5000117
211E33.1Very low38Very low160 Ų160139.2 Ų139.275%0.74876%0.757SS**  trans11.2130.9150-62.7175.780.900122
212L38.9Very low38.2Very low152 Ų152142 Ų14280%0.79677%0.766SS**  -178.9126.4101.1-109.993.8000107.3
213N35.5Very low38.4Very low127 Ų127143.5 Ų143.568%0.67977%0.766SS**  86.1126.658.6-164.58000114.3
214R33.9Very low38.7Very low215 Ų215142.6 Ų142.681%0.81176%0.762SS**  trans72.7156.1160.8-112.5176.6178.9-175.31.3116.2
215V36.7Very low38.6Very low109 Ų109142.7 Ų142.766%0.66176%0.759SS**  cis-146.513918-1790000113.2
216N36.5Very low38.6Very low125 Ų125145.9 Ų145.967%0.66876%0.759SS**  trans9.1135150.1-43.1-13.4000123.3
217T34.8Very low38.5Very low147 Ų147145.1 Ų145.190%0.90275%0.754SS**  trans-70.7138.9148.1-460000111
218I38.9Very low38.3Very low151 Ų151146.8 Ų146.877%0.77476%0.762SS**  trans-115.5136179.9-67.3178.4000112
219H34.9Very low38.3Very low179 Ų179144.1 Ų144.183%0.82976%0.763SS**  trans-81.9142.3172.4-96.2-96.9000112.9
220S38.2Very low37.8Very low105 Ų105142.9 Ų142.973%0.73477%0.766SS**  trans-175.7119.5130.5-82.90000109.1
221R39.9Very low38Very low225 Ų225145 Ų14585%0.84978%0.777SS**  59.311492.4-74.1-175.1176.8157.9-0.5112.9
222D45.1Very low38Very low166 Ų166144.3 Ų144.389%0.88878%0.778SS**  -151.9174.291.6-117.1-33.9000113.6
223K42.2Very low38.2Very low164 Ų164146.6 Ų146.671%0.71378%0.782SS**  trans-135.5151.8-161.2-177.4-176.1176.6-173.80110.4
224D45.2Very low38.2Very low136 Ų136149.6 Ų149.673%0.72779%0.789SS**  trans144.7109.6151.7-73.5-21.2000110
225N38.3Very low38.3Very low117 Ų117147.6 Ų147.663%0.62679%0.794SS**  60.4104.377.1-74.4-16.3000114.2
226H41.1Very low38.4Very low190 Ų190151 Ų15188%0.8881%0.805SS**  -174.2170.3108.7-98.1-64.7000112.7
227S35.4Very low38.5Very low106 Ų106150.4 Ų150.474%0.74181%0.811SS**  trans-103.7154.1-152-50.60000115.7
228A34.6Very low38.7Very low101 Ų101150.7 Ų150.784%0.83581%0.806SS**  trans37.4126.1138.700000121.4
229S37.9Very low38.8Very low118 Ų118150.9 Ų150.983%0.82581%0.809SS**  -162.3146.3121.8-168.90000111.5
230S34.2Very low39.1Very low112 Ų112150.8 Ų150.878%0.78381%0.808SS**  trans-108.9134.1171.862.10000110.4
231V42.4Very low39.3Very low139 Ų139151.6 Ų151.684%0.84281%0.811SS**  trans-139.4132.8159.9-176.90000109.9
232N34Very low39.3Very low146 Ų146152.5 Ų152.578%0.78181%0.814SS**  trans-109.6131179.7178.12.7000108.4
233K42.4Very low39.1Very low200 Ų200150.1 Ų150.187%0.8781%0.806SS**  trans-164135.8160-114.6159.6-171.8175.80114.1
234K35.2Very low39Very low190 Ų190148.1 Ų148.183%0.82681%0.808SS**  trans-71.9149.9169.1-58.6166.9177.9174.90110
235N36.7Very low38.6Very low173 Ų173152.6 Ų152.693%0.92582%0.815SS**  -162.5163.2125.2-111.7-7.6000114.1
236M39.3Very low38.5Very low180 Ų180153 Ų15389%0.88782%0.815SS**  trans-118131.5-166.9174-178.478.500109.1
237S38.1Very low38.2Very low114 Ų114149.6 Ų149.680%0.79781%0.808SS**  trans-174.3133.5143.7-170.90000113.6
238L39.3Very low38.1Very low153 Ų153154.6 Ų154.680%0.80181%0.812SS**  trans-38.5139.4157.8-139.968.7000115
239N40.2Very low38Very low155 Ų155154.7 Ų154.783%0.82981%0.806SS**  -168.2159127.9-106.7-36.5000114.2
240H40.4Very low37.8Very low177 Ų177154.6 Ų154.682%0.81981%0.806SS**  trans-67.1150.8-167.3-85.7-83.4000116.6
241P42.6Very low38Very low121 Ų121155.1 Ų155.179%0.78680%0.804SS**  trans-84.9142.116734.7-32.5000112
242R41.7Very low37.6Very low244 Ų244158.7 Ų158.792%0.92180%0.803SS**  trans-113.5120.8170.8-158.5173.3-170.2161.61.8109.8T244R242-T244 PolarHBondContact O-N 2.73Å
243T39.4Very low37.7Very low117 Ų117155.5 Ų155.572%0.71880%0.804SS**  trans-62.3129.6-177.5-49.90000112.1
244T40.8Very low37.4Very low121 Ų121151.1 Ų151.174%0.74279%0.79SS**  trans-131.2127.9155.5-50.90000109.2R242 I246R242-T244 PolarHBondContact O-N 2.73Å; T244-I246 HydrophobicContact CG2-CG1 4.26Å
245R36.3Very low37.4Very low231 Ų231149.7 Ų149.787%0.87279%0.792SS**  trans-91.8115.2-179.1-178.7-169.2-1611745.5107.9
246I36Very low37.2Very low125 Ų125147 Ų14764%0.64179%0.785SS**  trans-129.2127.6170.7-61-174.8000108.8T244 Y248T244-I246 HydrophobicContact CG2-CG1 4.26Å; I246-Y248 HydrophobicContact CG2-CD2 3.41Å; I246-Y248 VanDerWaalsContact CG2-CD2 3.41Å; I246-Y248 HydrophobicContact CG2-CE2 3.43Å; I246-Y248 VanDerWaalsContact CG2-CE2 3.43Å
247V35.1Very low37.2Very low119 Ų119142.7 Ų142.772%0.72177%0.773SS**  trans-94.5127.1170.1172.70000107
248Y34.4Very low36.9Very low211 Ų211144.6 Ų144.683%0.82777%0.774SS**  trans-137.4118.8158.4-85.1-69.2000109.7I246I246-Y248 HydrophobicContact CG2-CD2 3.41Å; I246-Y248 VanDerWaalsContact CG2-CD2 3.41Å; I246-Y248 HydrophobicContact CG2-CE2 3.43Å; I246-Y248 VanDerWaalsContact CG2-CE2 3.43Å
249S30.9Very low36.7Very low102 Ų102145.3 Ų145.371%0.71378%0.778SS**  trans-96.9168.6160.441.40000109.1
250S34.8Very low36.2Very low117 Ų117143 Ų14382%0.81877%0.774SS**  trans72.5143.1-168.9-122.90000112.9
251T37.2Very low35.9Very low123 Ų123141.3 Ų141.376%0.75577%0.77SS**  cis-137.8145.418.946.50000114.1
252R34.7Very low35.4Very low213 Ų213140.7 Ų140.780%0.80477%0.768SS**  trans-19.9136.5147-165.8176.4-175.9160.43.6115.8D254R252-D254 IonicContact NE-OD2 3.37Å; R252-D254 PolarHBondContact NE-OD2 3.46Å
253G35.7Very low35Very low79 Ų79133.8 Ų133.881%0.81476%0.756SS**  trans-145.8109.7168.200000109.8
254D37.1Very low34.8Very low109 Ų109135.2 Ų135.258%0.58376%0.76SS**  trans-91.1169.4-177.6-65.9-61.2000111.9R252R252-D254 IonicContact NE-OD2 3.37Å; R252-D254 PolarHBondContact NE-OD2 3.46Å
255N35Very low34.6Very low159 Ų159135.6 Ų135.685%0.8576%0.757SS**  trans79.9122172.1-45.5-40.4000115.8
256C32.5Very low34.6Very low116 Ų116132 Ų13278%0.78476%0.755SS**  -158.3142.363.7-1350000114.7
257S39.6Very low34.5Very low91 Ų91129.5 Ų129.564%0.63676%0.76SS**  trans33.7111.4146.459.10000119.5
258D30.8Very low34.5Very low154 Ų154130.1 Ų130.182%0.82476%0.764SS**  65.3110.376.6-74.1-41.4000115.3
259L35.7Very low34.5Very low168 Ų168124.7 Ų124.788%0.8876%0.757SS**  trans-167.997.4137.9-110.1156.3000111L261L259-L261 HydrophobicContact CD2-CD1 3.88Å
260S29Very low34.8Very low107 Ų107127.2 Ų127.275%0.74876%0.758SS**  trans-112.4118.9163.162.80000110.2
261L35.7Very low34.8Very low141 Ų141129.2 Ų129.274%0.73875%0.754SS**  trans-126.9123.3153.8-86.989000105.6L259L259-L261 HydrophobicContact CD2-CD1 3.88Å
262C31.5Very low34.6Very low108 Ų108128.6 Ų128.673%0.7375%0.753SS**  61132.971.1-58.20000112.2
263S32.5Very low34.5Very low98 Ų98123.8 Ų123.869%0.68575%0.748SS**  cis-167.8179.7-9.6-90.70000107.7
264N35.9Very low34.3Very low148 Ų148129 Ų12979%0.79175%0.748SS**  trans80.7143.3176.3-53.26.8000114.2
265D36.3Very low33.8Very low128 Ų128135.1 Ų135.168%0.68476%0.763SS**  cis-140.4146.517.3-121.3-50.8000114.6
266N36Very low33.9Very low156 Ų156135.4 Ų135.483%0.83476%0.764SS**  trans-1138.9160.2-68.5-59.8000122.4
267G34Very low34.1Very low72 Ų72132.6 Ų132.674%0.74276%0.755SS**  trans174.753.1165.400000123.1
268V34.6Very low34Very low133 Ų133135 Ų13581%0.80676%0.761SS**  trans69.4135.9148.7178.80000121.3
269S34.4Very low34.5Very low96 Ų96134.4 Ų134.467%0.67176%0.758SS**  trans-3.3150.9156.8-51.90000120.6
270Q36.9Very low34.7Very low156 Ų156135.3 Ų135.373%0.72976%0.757SS**  cis-164.3174.122-130.2151.9-77.300107.2
271E36.6Very low35.2Very low158 Ų158135.3 Ų135.374%0.73876%0.755SS**  cis-155.3173.110.2-165.8148.563.900111.9
272C32.4Very low35.6Very low111 Ų111135.1 Ų135.175%0.7576%0.759SS**  trans-74.9175.8169.2-66.20000112.9
273T32.1Very low35.9Very low112 Ų112136.4 Ų136.469%0.68776%0.759SS**  cis-179.3145.7-16.7-90.60000105.5
274F31.1Very low36Very low188 Ų188138 Ų13883%0.82576%0.759SS**  trans-173.7131133.7-116.6-80.5000112.1
275R27.8Very low36.1Very low238 Ų238140.2 Ų140.290%0.89877%0.765SS**  trans-142.5129170.9-138.6-171.3-174.4-157.30.2108.4
276L37.5Very low36.1Very low164 Ų164140.6 Ų140.686%0.85977%0.772SS**  trans-159.8142.4169.2-120.372.2000103.5
277G34.9Very low36Very low58 Ų58138.2 Ų138.260%0.59877%0.767SS**  cis156.5149.81.400000107.6
278N37.7Very low36.2Very low142 Ų142140.6 Ų140.676%0.75977%0.767SS**  trans72.6146.6165-57.658.2000116.7
279D41.9Very low36.2Very low141 Ų141140.4 Ų140.475%0.75477%0.769SS**  cis-157.1-179.6-11.8-97.6-24.8000111.6
280E39.3Very low36.4Very low186 Ų186140.5 Ų140.587%0.86977%0.769SS**  trans-48168.8-163.5-87.6-178.947.900124.7
281P39.1Very low36.4Very low108 Ų108139.1 Ų139.170%0.70177%0.772SS**  trans-112.4159.8-178.741.9-31.8000116.3
282V44.2Very low36.4Very low137 Ų137137.8 Ų137.883%0.8378%0.777SS**  trans-144122.4165.8177.50000114.4
283N38.8Very low36.4Very low134 Ų134137.6 Ų137.672%0.71778%0.777SS**  trans29.4129.6151.3-69.6-22.6000125.3
284N34.4Very low36.4Very low131 Ų131141.9 Ų141.970%0.70179%0.789SS**  trans55.1120.6131-59-18.9000121.4
285H38.5Very low36.4Very low195 Ų195141.3 Ų141.390%0.90379%0.789SS**  -165.6156.5104.6-98.4-70.9000112.3
286T34.9Very low36.7Very low137 Ų137135.7 Ų135.784%0.8478%0.783SS**  trans-77132.4-167.9-53.20000115.4
287S34.6Very low36.4Very low105 Ų105135.8 Ų135.873%0.73478%0.779SS**  trans-176.1130.9141.656.30000115
288V39.1Very low36.3Very low122 Ų122138.4 Ų138.474%0.73979%0.788SS**  trans63.9130.5152.1-177.40000119
289P34.2Very low36.2Very low129 Ų129141.2 Ų141.284%0.83879%0.79SS**  trans-82.7128.5174.732.9-32.8000112.3
290S37.9Very low36Very low98 Ų98138.8 Ų138.869%0.68578%0.78SS**  trans-127.5124171.9-57.80000110.7
291T37.4Very low35.9Very low128 Ų128133.4 Ų133.479%0.78577%0.767SS**  trans32.6114.7153.747.70000119.4S293T291-S293 PolarHBondContact O-N 3.5Å
292P36.3Very low35.9Very low129 Ų129134.4 Ų134.484%0.83877%0.771SS**  trans-67.9115.6163.329.2-31.7000110.7
293S32.7Very low35.4Very low108 Ų108133 Ų13376%0.75577%0.767SS**  trans4.3129.5154.657.10000119.1T291 Q295T291-S293 PolarHBondContact O-N 3.5Å; S293-Q295 PolarHBondContact O-N 2.9Å
294E32.2Very low35.3Very low201 Ų201132.7 Ų132.794%0.93977%0.765SS**  trans-49.4128.3163.8-67166.788.900112.5
295Q30.2Very low35.3Very low177 Ų177130.2 Ų130.283%0.82776%0.762SS**  trans-101.3131.7164.2-171.31760.200107.3S293 E297S293-Q295 PolarHBondContact O-N 2.9Å; Q295-E297 PolarHBondContact O-N 3.43Å; Q295-E297 VanDerWaalsContact O-N 3.08Å
296P34.3Very low35.1Very low120 Ų120126.6 Ų126.678%0.77975%0.746SS**  trans-69.5111.5-177.527.1-33.3000110.1S298P296-S298 PolarHBondContact O-N 3.31Å
297E32.1Very low35.3Very low166 Ų166127 Ų12778%0.77675%0.749SS**  trans-60.798.6173.2-76.4-102.8126.300110.1Q295 Y299Q295-E297 PolarHBondContact O-N 3.43Å; Q295-E297 VanDerWaalsContact O-N 3.08Å; E297-Y299 PolarHBondContact O-N 3.15Å
298S31.7Very low35.5Very low112 Ų112128.6 Ų128.678%0.78375%0.748SS**  trans-72.476.9172.859.80000110P296 V300P296-S298 PolarHBondContact O-N 3.31Å; S298-V300 PolarHBondContact O-N 3.49Å
299Y36.5Very low35.4Very low202 Ų202130.1 Ų130.179%0.79275%0.75SS**PPolyproline II helixtrans-74.4120.6178.6-128.6-88.3000110.9E297 A301E297-Y299 PolarHBondContact O-N 3.15Å; Y299-A301 PolarHBondContact O-N 3.37Å
300V37.1Very low35.6Very low90 Ų90129.6 Ų129.655%0.54575%0.745SS.*PPolyproline II helixtrans-57123.5-169.4-177.80000111.5S298 V302S298-V300 PolarHBondContact O-N 3.49Å; V300-V302 PolarHBondContact O-N 3.49Å
301A38.3Very low35.4Very low73 Ų73133.9 Ų133.960%0.60375%0.751SS**PPolyproline II helixtrans-64.5126.7167.900000109.2Y299 S303Y299-A301 PolarHBondContact O-N 3.37Å; A301-S303 VanDerWaalsContact C-N 3.33Å; A301-S303 PolarHBondContact O-N 3.17Å
302V38Very low35.5Very low129 Ų129133.3 Ų133.378%0.78275%0.747SS**  trans-69.388.9-176.8179.30000109.9V300 L304V300-V302 PolarHBondContact O-N 3.49Å; V302-L304 PolarHBondContact O-N 3.39Å
303S33.5Very low35.4Very low106 Ų106132.3 Ų132.374%0.74174%0.741SS**  trans-69.9109.1175.7-171.40000109.8A301 A305A301-S303 VanDerWaalsContact C-N 3.33Å; A301-S303 PolarHBondContact O-N 3.17Å; S303-A305 PolarHBondContact O-N 2.84Å
304L37Very low35.5Very low128 Ų128133.1 Ų133.167%0.6775%0.746SS**SBendtrans-82.657.2-164.5-143.2167.5000112V302V302-L304 PolarHBondContact O-N 3.39Å
305A33.7Very low35.9Very low79 Ų79131 Ų13165%0.65374%0.74SS**  trans-159.666.3-178.700000114.9S303S303-A305 PolarHBondContact O-N 2.84Å
306Q35.7Very low36.1Very low119 Ų119128 Ų12856%0.55674%0.736SS**  trans-142.294.1163.5-109.2147.437.600113.3I308Q306-I308 VanDerWaalsContact C-N 3.34Å; Q306-I308 PolarHBondContact O-N 3.01Å
307T38.3Very low35.9Very low147 Ų147130.3 Ų130.390%0.90274%0.742SS**  trans-71.887167.4-53.90000109.3L309T307-L309 PolarHBondContact O-N 3.42Å
308I40Very low36Very low138 Ų138127.6 Ų127.671%0.70874%0.741SS**  trans-72.6117.2173.8-66.3179.1000109.3Q306 V310Q306-I308 VanDerWaalsContact C-N 3.34Å; Q306-I308 PolarHBondContact O-N 3.01Å; I308-V310 PolarHBondContact O-N 2.71Å; I308-V310 VanDerWaalsContact O-N 3.16Å
309L35.3Very low36.3Very low153 Ų153128.6 Ų128.680%0.80174%0.742SS**  trans-70.1102.6-179.6-170.3145.4000109.9T307 K311T307-L309 PolarHBondContact O-N 3.42Å; L309-K311 PolarHBondContact O-N 3.3Å; L309-K311 VanDerWaalsContact O-N 3.09Å
310V39.5Very low36.1Very low119 Ų119124.8 Ų124.872%0.72174%0.739SS**  trans-69.1108.4179.7176.90000110.2I308 V312I308-V310 PolarHBondContact O-N 2.71Å; I308-V310 VanDerWaalsContact O-N 3.16Å; V310-V312 HydrophobicContact CG1-CG2 4.47Å; V310-V312 PolarHBondContact O-N 2.84Å
311K33Very low36.1Very low187 Ų187126 Ų12681%0.81375%0.75SS**  trans-67.691.6169.1-176.480.6173.2-173.30109.7L309L309-K311 PolarHBondContact O-N 3.3Å; L309-K311 VanDerWaalsContact O-N 3.09Å
312V39.6Very low35.8Very low116 Ų116128.9 Ų128.970%0.70375%0.754SS**PPolyproline II helixtrans-65.4131.8173.4-178.90000109.8V310V310-V312 HydrophobicContact CG1-CG2 4.47Å; V310-V312 PolarHBondContact O-N 2.84Å
313P35.6Very low35.6Very low109 Ų109129.6 Ų129.671%0.70876%0.759SS**PPolyproline II helixtrans-75.4144.5177.330.6-34.1000111.7
314S32.9Very low35.7Very low124 Ų124130.5 Ų130.587%0.86776%0.76SS**PPolyproline II helixtrans-71.8131.5-175.637.40000113.6
315I41.2Very low35.8Very low156 Ų156129.1 Ų129.180%0.876%0.761SS**  trans-118.9135.8168.2-61177.6000107.3
316P35.1Very low36.3Very low115 Ų115128.7 Ų128.775%0.74776%0.758SS**  trans-81.5146.5-168.331.7-35.7000114.6
317N29.4Very low36.6Very low169 Ų169128.9 Ų128.990%0.90476%0.762SS**  trans-15.3122.6168.7-55.1-16.1000118
318S34.9Very low36.8Very low109 Ų109127 Ų12776%0.76275%0.747SS**  trans-157.8110.8145.1-175.50000112.1
319V37.6Very low37.1Very low133 Ų133126.8 Ų126.881%0.80674%0.743SS**  trans53.2116.5151.6-170.60000119.1
320V33.3Very low37.9Very low121 Ų121124.5 Ų124.573%0.73373%0.73SS**  trans-90.8150.3170174.70000110
321P36.4Very low38.4Very low117 Ų117123.4 Ų123.476%0.7672%0.723SS**  -135.2126.312133.5-21.2000114.8
322D31Very low39.1Very low132 Ų132118.6 Ų118.671%0.70671%0.707SS**  trans3.3125.3156.5-50.3-39.4000121.4
323T35.5Very low39.7Very low144 Ų144116 Ų11688%0.88369%0.693SS**  trans-13756.6153.834.80000111.8S325T323-S325 PolarHBondContact O-N 3.18Å
324V34.3Very low40.5Very low126 Ų126115.3 Ų115.376%0.76468%0.683SS**THydrogen-bonded Turntrans-81.292.1173.5-175.90000109.8
325S39.7Very low41.4Very low98 Ų98116 Ų11669%0.68567%0.67SS**THydrogen-bonded Turntrans-154.7-25.8175.3-160.10000115.8T323T323-S325 PolarHBondContact O-N 3.18Å
326A44.2Very low42.1Very low71 Ų71115.8 Ų115.859%0.58766%0.659SS**SBendtrans-74.8-39.4-174.600000114.5N328 H329A326-N328 PolarHBondContact O-N 3.42Å; A326-H329 PolarHBondContact O-N 3.31Å
327D41.8Very low42.9Very low122 Ų122115.9 Ų115.965%0.65265%0.653SS**Hα-helixtrans-74.2-29.4-167-62.9-56.4000114.2H329 I330D327-H329 PolarHBondContact O-N 2.88Å; D327-I330 PolarHBondContact O-N 3.4Å
328N43Very low44.2Very low108 Ų108111.6 Ų111.658%0.57863%0.63SS**Hα-helixtrans-67.1-22.7178.4-72.9-24.9000113.2A326 N332A326-N328 PolarHBondContact O-N 3.42Å; N328-N332 WeakPolarHBondContact O-CB 3.31Å; N328-N332 PolarHBondContact O-N 3.24Å; N328-N332 PolarHBondContact O-ND2 3.39Å
329H46Very low44.9Very low133 Ų133110.7 Ų110.762%0.61662%0.616SS**Hα-helixtrans-78.9-28.4-177.6-152.1-75000112.9A326 D327 C333A326-H329 PolarHBondContact O-N 3.31Å; D327-H329 PolarHBondContact O-N 2.88Å; H329-C333 PolarHBondContact O-N 3.34Å; H329-C333 VanDerWaalsContact O-N 3.14Å; H329-C333 PolarHBondContact O-SG 2.79Å
330I52.2Low45.7Very low106 Ų106110.9 Ų110.954%0.54461%0.61SS.*Hα-helixtrans-74.3-45.9177.2-61.3175.9000109.8D327 N332 C333 I334D327-I330 PolarHBondContact O-N 3.4Å; I330-N332 VanDerWaalsContact C-N 3.34Å; I330-N332 PolarHBondContact O-N 3.42Å; I330-C333 PolarHBondContact O-N 2.88Å; I330-C333 VanDerWaalsContact O-N 3.13Å; I330-I334 HydrophobicContact CG2-CD1 3.98Å; I330-I334 WeakPolarHBondContact O-CG1 3.49Å; I330-I334 PolarHBondContact O-N 2.86Å; I330-I334 VanDerWaalsContact O-N 3.09Å
331V49.1Very low46.4Very low95 Ų95112.7 Ų112.758%0.57661%0.608SS**Hα-helixtrans-59.9-43.9177-179.30000111.2C333 I334 K335V331-C333 VanDerWaalsContact C-N 3.34Å; V331-C333 PolarHBondContact O-N 3.44Å; V331-I334 PolarHBondContact O-N 3.35Å; V331-K335 PolarHBondContact O-N 2.84Å; V331-K335 VanDerWaalsContact O-N 3.11Å
332N48.9Very low46.7Very low86 Ų86112.7 Ų112.746%0.4660%0.598SS.*Hα-helixtrans-72.6-19.2176.7-77.9-24.5000114.6N328 I330 R336N328-N332 WeakPolarHBondContact O-CB 3.31Å; N328-N332 PolarHBondContact O-N 3.24Å; N328-N332 PolarHBondContact O-ND2 3.39Å; I330-N332 VanDerWaalsContact C-N 3.34Å; I330-N332 PolarHBondContact O-N 3.42Å; N332-R336 WeakPolarHBondContact O-CG 3.3Å; N332-R336 PolarHBondContact O-NH1 2.81Å
333C50.9Low47.3Very low63 Ų63112.2 Ų112.243%0.42660%0.596SS.*Hα-helixtrans-74-47.9168.6-83.20000111H329 I330 V331 K335 R336 D337H329-C333 PolarHBondContact O-N 3.34Å; H329-C333 VanDerWaalsContact O-N 3.14Å; H329-C333 PolarHBondContact O-SG 2.79Å; I330-C333 PolarHBondContact O-N 2.88Å; I330-C333 VanDerWaalsContact O-N 3.13Å; V331-C333 VanDerWaalsContact C-N 3.34Å; V331-C333 PolarHBondContact O-N 3.44Å; C333-K335 VanDerWaalsContact C-N 3.32Å; C333-K335 PolarHBondContact O-N 3.3Å; C333-R336 PolarHBondContact O-N 2.82Å; C333-D337 PolarHBondContact O-N 3.46Å
334I52.6Low48Very low94 Ų94113.1 Ų113.148%0.48259%0.587SS.*Hα-helixtrans-63.8-37.8-176.6-64.2167.2000111.2I330 V331 R336 D337 I338I330-I334 HydrophobicContact CG2-CD1 3.98Å; I330-I334 WeakPolarHBondContact O-CG1 3.49Å; I330-I334 PolarHBondContact O-N 2.86Å; I330-I334 VanDerWaalsContact O-N 3.09Å; V331-I334 PolarHBondContact O-N 3.35Å; I334-R336 PolarHBondContact O-N 2.82Å; I334-D337 PolarHBondContact O-N 3.34Å; I334-I338 HydrophobicContact CG2-CD1 4.15Å; I334-I338 WeakPolarHBondContact O-CG1 3.31Å; I334-I338 PolarHBondContact O-N 2.91Å
335K52.3Low48.3Very low139 Ų139113.8 Ų113.860%0.60459%0.586SS**Hα-helixtrans-62.1-42178.1-168.6155.3-176.2166.90112.8V331 C333 D337 I338 D339V331-K335 PolarHBondContact O-N 2.84Å; V331-K335 VanDerWaalsContact O-N 3.11Å; C333-K335 VanDerWaalsContact C-N 3.32Å; C333-K335 PolarHBondContact O-N 3.3Å; K335-D337 PolarHBondContact O-N 2.92Å; K335-I338 PolarHBondContact O-N 3.38Å; K335-D339 PolarHBondContact O-N 3.43Å
336R55.5Low48.5Very low150 Ų150115 Ų11557%0.56658%0.583SS**Hα-helixtrans-67.7-31.8178.1-66.1-177.7-172.3105.9-11.8113.7N332 C333 I334 I338 M340N332-R336 WeakPolarHBondContact O-CG 3.3Å; N332-R336 PolarHBondContact O-NH1 2.81Å; C333-R336 PolarHBondContact O-N 2.82Å; I334-R336 PolarHBondContact O-N 2.82Å; R336-I338 VanDerWaalsContact C-N 3.27Å; R336-I338 PolarHBondContact O-N 2.84Å; R336-M340 PolarHBondContact O-N 3.33Å; R336-M340 VanDerWaalsContact O-N 3.16Å
337D51.9Low48.3Very low117 Ų117119.5 Ų119.563%0.62659%0.592SS**Hα-helixtrans-72.6-19.9177.1-112.2-30.3000113C333 I334 K335C333-D337 PolarHBondContact O-N 3.46Å; I334-D337 PolarHBondContact O-N 3.34Å; K335-D337 PolarHBondContact O-N 2.92Å
338I57.1Low48.2Very low79 Ų79122.6 Ų122.641%0.40560%0.599SS.*Hα-helixtrans-84-49.4174.6-64.4168.4000109.6I334 K335 R336 M340 K341 E342I334-I338 HydrophobicContact CG2-CD1 4.15Å; I334-I338 WeakPolarHBondContact O-CG1 3.31Å; I334-I338 PolarHBondContact O-N 2.91Å; K335-I338 PolarHBondContact O-N 3.38Å; R336-I338 VanDerWaalsContact C-N 3.27Å; R336-I338 PolarHBondContact O-N 2.84Å; I338-M340 VanDerWaalsContact C-N 3.32Å; I338-M340 PolarHBondContact O-N 3.29Å; I338-K341 WeakPolarHBondContact O-CB 3.43Å; I338-K341 PolarHBondContact O-N 3.01Å; I338-E342 PolarHBondContact O-N 3.07Å
339D49.9Very low47.7Very low90 Ų90126.5 Ų126.548%0.48161%0.611SS.*Hα-helixtrans-55.1-44.5176.9-68.8-41.8000111.8K335 K341K335-D339 PolarHBondContact O-N 3.43Å; D339-K341 PolarHBondContact O-N 3.46Å
340M54Low47.1Very low138 Ų138124.9 Ų124.968%0.6862%0.615SS**Hα-helixtrans-64.7-9.9176.7-85-170.163.900115.1R336 I338R336-M340 PolarHBondContact O-N 3.33Å; R336-M340 VanDerWaalsContact O-N 3.16Å; I338-M340 VanDerWaalsContact C-N 3.32Å; I338-M340 PolarHBondContact O-N 3.29Å
341K48.2Very low46.3Very low158 Ų158126 Ų12669%0.68763%0.627SS**Hα-helixtrans-109.3-25.7-172.9-149.8158.6-171.7165.80113.4I338 D339I338-K341 WeakPolarHBondContact O-CB 3.43Å; I338-K341 PolarHBondContact O-N 3.01Å; D339-K341 PolarHBondContact O-N 3.46Å
342E42.4Very low45.6Very low117 Ų117127 Ų12755%0.54764%0.638SS.*Hα-helixtrans-72.5-41.9172.7-65-164.5105.900111.6I338 K344 L345 I346I338-E342 PolarHBondContact O-N 3.07Å; E342-K344 PolarHBondContact O-N 3.4Å; E342-L345 PolarHBondContact O-N 3.3Å; E342-I346 PolarHBondContact O-N 2.88Å; E342-I346 VanDerWaalsContact O-N 3.11Å
343D44.4Very low44.9Very low123 Ų123130.2 Ų130.266%0.65865%0.654SS**Hα-helixtrans-59.3-29.9174.8-84.6-20.4000113.3
344K49Very low44.2Very low162 Ų162135.5 Ų135.570%0.70468%0.677SS**Hα-helixtrans-79.8-14.5175.8-87.6-174.4-176.8-63.40114.5E342E342-K344 PolarHBondContact O-N 3.4Å
345L41.5Very low43.3Very low140 Ų140135 Ų13573%0.73369%0.687SS**Hα-helixtrans-100.6-33.8-177.6-153.471.5000112.3E342E342-L345 PolarHBondContact O-N 3.3Å
346I42.6Very low42.3Very low123 Ų123134 Ų13463%0.63170%0.698SS**Hα-helixtrans-72-36.4179-63.2172.8000111.2E342 K348E342-I346 PolarHBondContact O-N 2.88Å; E342-I346 VanDerWaalsContact O-N 3.11Å; I346-K348 VanDerWaalsContact C-N 3.28Å; I346-K348 PolarHBondContact O-N 3.22Å
347H41.4Very low41.4Very low167 Ų167132.6 Ų132.677%0.77371%0.706SS**THydrogen-bonded Turntrans-78.51.4-178.9-113.1-70.7000116
348K38.8Very low40.5Very low186 Ų186132.6 Ų132.681%0.80971%0.71SS**THydrogen-bonded Turntrans-112.87.2-173.6-149.1169.8-176.7176.80115I346I346-K348 VanDerWaalsContact C-N 3.28Å; I346-K348 PolarHBondContact O-N 3.22Å
349K32.1Very low39.6Very low190 Ų190134.7 Ų134.783%0.82673%0.732SS**SBendtrans-113.11.3-178.9-161.1168177.7-179.60114.4
350S33.6Very low38.9Very low100 Ų100133.8 Ų133.870%0.69974%0.744SS**SBendtrans-130.259.4-171-57.80000113.1
351T35.4Very low38Very low130 Ų130135.1 Ų135.180%0.79875%0.753SS**  trans-166.186.9167.22.10000111.1
352S35.1Very low37.6Very low114 Ų114132.6 Ų132.680%0.79776%0.755SS**  trans-144.931.4172.660.10000113.6
353L34.9Very low37.4Very low155 Ų155133.1 Ų133.181%0.81277%0.766SS**  trans-141.6146.1169.7-64173000107.8
354L35.2Very low37.3Very low173 Ų173131.7 Ų131.791%0.90677%0.766SS**  trans73.1104.4-170.7-50.6153.8000112
355A34.9Very low36.8Very low83 Ų83130.2 Ų130.269%0.68677%0.77SS**  cis75.9103.241.300000114.8
356S30.6Very low36.5Very low118 Ų118129.6 Ų129.683%0.82578%0.776SS**  trans62.2153.4170.166.10000116.1
357V36.4Very low36.2Very low122 Ų122128.8 Ų128.874%0.73978%0.782SS**  cis-151.7146.720.4-135.10000110.8
358T32.2Very low36.1Very low116 Ų116128 Ų12871%0.71278%0.783SS**  trans22137.1148.553.10000124.2
359S39.4Very low36.1Very low124 Ų124123.9 Ų123.987%0.86778%0.778SS**  trans63.8142.8150.3580000119.3
360G33.8Very low36.6Very low71 Ų71120.8 Ų120.873%0.73278%0.775SS**  cis171.9-176.7-1.100000111.1
361L36.9Very low37Very low166 Ų166122.4 Ų122.487%0.86978%0.776SS**  trans78.7105.9176-138.664.6000115.1
362S38.8Very low37.3Very low104 Ų104122.3 Ų122.373%0.72777%0.77SS**  68134.474.1-52.10000113.3
363T38.4Very low37.5Very low129 Ų129123.2 Ų123.279%0.79177%0.767SS**  cis-131.1-159.611.657.30000110.4
364S42Very low37.8Very low93 Ų93121.9 Ų121.965%0.6576%0.76SS**  cis-159.7130.52.38.60000113.5
365T38.7Very low38.1Very low130 Ų130119.9 Ų119.980%0.79875%0.75SS**  58.8104.3123.2-39.40000122.5
366C35.3Very low38.3Very low127 Ų127122.7 Ų122.786%0.85875%0.754SS**  -169.4155.4109.256.70000111.5
367S36.9Very low38.8Very low107 Ų107124.4 Ų124.475%0.74875%0.754SS**  trans-135.9147.3-151.5-47.30000115.1
368N39.1Very low39.1Very low150 Ų150125 Ų12580%0.80275%0.753SS**  trans-172.3112.8140.7-98.1-21.7000108.2
369S39Very low39.6Very low99 Ų99126.2 Ų126.269%0.69276%0.755SS**  67.5118.386.8-57.60000111.7
370T42Very low39.8Very low125 Ų125126.9 Ų126.977%0.76775%0.749SS**  cis-156.114742.4-13.40000115.3
371N41.4Very low40.1Very low134 Ų134130.8 Ų130.872%0.71775%0.753SS**  trans65.5113.8150-791.2000124.9
372N41.2Very low40.2Very low128 Ų128134.1 Ų134.168%0.68475%0.754SS**  82.890.8129.8-65.8-6.4000121.7
373N39.7Very low40.3Very low134 Ų134133.8 Ų133.872%0.71776%0.758SS**  30.5129.8101.5-64.93.2000116.6
374N41.4Very low40.3Very low126 Ų126137.4 Ų137.467%0.67476%0.762SS**  cis-172.1155.131-113.1-11.3000112.4
375N41.1Very low40.3Very low131 Ų131137.8 Ų137.870%0.70177%0.765SS**  trans53.4111.9147.1-64.1-16.1000122.4
376N39.6Very low40.3Very low143 Ų143138.7 Ų138.777%0.76577%0.765SS**  17.2120120.2-63.9-11.5000118.2
377N41.5Very low40.2Very low154 Ų154137.5 Ų137.582%0.82476%0.757SS**  -171.5158.1100.3-102.3-30.2000114.7
378N41.7Very low40.2Very low134 Ų134138.1 Ų138.172%0.71776%0.757SS**  trans-51.2139.4172.3-59.3-44000113.5
379N43Very low39.8Very low142 Ų142137.1 Ų137.176%0.75976%0.761SS**  172.1132.1104.8-89.3-41.7000114.2
380N43.3Very low39.8Very low137 Ų137137.4 Ų137.473%0.73376%0.763SS**  trans20.2137.4140.4-59.4-26.7000122.2
381N41.4Very low39.5Very low153 Ų153138.4 Ų138.482%0.81876%0.764SS**  trans109.491.2147.1-60.4-32.9000120.3
382R38.2Very low39.4Very low236 Ų236135.9 Ų135.989%0.89176%0.757SS**  60.795112.7-166.7-172.5-173.1-177.93.1120.3
383A41.1Very low39.2Very low98 Ų98138.9 Ų138.981%0.8176%0.764SS**  trans-159.1117.5137.400000107
384K39.2Very low39Very low204 Ų204137.6 Ų137.689%0.88777%0.765SS**  cis77.381.549.8-158.5-175.4-176.8-173.30114.8
385S42.7Very low38.7Very low102 Ų102137.6 Ų137.671%0.71377%0.774SS**  trans-151123.9146.453.30000107.8
386N38.1Very low38.5Very low149 Ų149139.9 Ų139.980%0.79778%0.78SS**  67.1135.4109.8-66.313.8000114.4
387C32.8Very low38.4Very low102 Ų102139 Ų13969%0.68978%0.78SS**  cis-167.1159.4-9-94.30000106
388T36.5Very low38.2Very low120 Ų120140.4 Ų140.474%0.73678%0.779SS**  cis-160.7154.9-2.55.30000108.4
389S31.1Very low38.3Very low129 Ų129142.7 Ų142.790%0.90279%0.785SS**  trans-132106.1172.6-56.50000111.5
390S39.6Very low38.2Very low105 Ų105142 Ų14273%0.73479%0.786SS**  trans-175.5144.9-179.251.10000109.3
391N35.5Very low38.3Very low146 Ų146141 Ų14178%0.78179%0.788SS**  cis-168.9167.2-12.6-172.29.6000107.3
392S38.1Very low38.6Very low80 Ų80140.2 Ų140.256%0.55979%0.791SS**  trans71.7121.8152.5-13.90000122.9
393K38Very low38.6Very low191 Ų191134.2 Ų134.283%0.8379%0.785SS**  96.9114.2126.6-75.3169.4-178.1-175.20122.6
394S35.3Very low38.9Very low107 Ų107138.3 Ų138.375%0.74879%0.79SS**  trans54.4128136.262.70000120
395C35.7Very low38.9Very low126 Ų126135.9 Ų135.985%0.85179%0.786SS**  -155.1171.659.5-93.80000114.5
396E35.6Very low39Very low179 Ų179138.8 Ų138.884%0.83679%0.792SS**  trans-88.2161.1-170.6-56.8162.197.900114.9
397T38.5Very low39.3Very low125 Ų125137.7 Ų137.777%0.76779%0.791SS**  -179.4107.4116.3-72.90000114
398K37.9Very low39.6Very low184 Ų184137.7 Ų137.780%0.879%0.792SS**  trans44122.7139.2-54.9-179.2-179.4-177.40123.7
399Q42.9Very low39.9Very low181 Ų181140 Ų14085%0.84680%0.8SS**  163.591116.5-87.5177.238.400110.2
400T41Very low40.4Very low127 Ų127142.7 Ų142.778%0.77980%0.795SS**  71.91168955.20000118.3
401P44.6Very low40.5Very low118 Ų118143.2 Ų143.277%0.76679%0.794SS**  trans-112156.3144.537.1-28.7000112
402P48.7Very low40.6Very low136 Ų136141.3 Ų141.388%0.88379%0.788SS**  trans-83.6155.8-173.633.1-35.3000114.5
403S37.5Very low40.8Very low109 Ų109146.4 Ų146.476%0.76280%0.8SS**  trans-102.8162.9-176.8-58.80000113.1
404M48.5Very low40.9Very low185 Ų185142.1 Ų142.191%0.91180%0.795SS**  trans-132.6129147.4-81.2-159-78.400111.4
405N37.7Very low41.3Very low153 Ų153145.1 Ų145.182%0.81880%0.802SS**  trans-73.7151.4171.3-73.5-45.7000111.1
406I44.8Very low41.5Very low163 Ų163145.9 Ų145.984%0.83680%0.798SS**  -142.9112125-64.2-164.9000110.3
407T44.4Very low42.1Very low125 Ų125142.6 Ų142.677%0.76780%0.795SS**  trans29.3128.5136.6-45.90000122.1
408S40.2Very low42.1Very low103 Ų103143.7 Ų143.772%0.7280%0.796SS**  trans-64.7153.7170.9-41.10000115.1
409N42.2Very low42.5Very low169 Ų169141.2 Ų141.290%0.90480%0.796SS**  trans-147.2127142.9-104.1-26.9000110.3
410K41.2Very low42.5Very low185 Ų185138.2 Ų138.280%0.80480%0.795SS**  trans-118.4108-179.1176.6-172.2177.1-175.80108.5
411T42.4Very low42.5Very low115 Ų115137.5 Ų137.571%0.70680%0.795SS**  trans-112.3105.7173.749.20000110.4
412T38.2Very low42.3Very low107 Ų107137 Ų13766%0.65680%0.801SS**  trans-87117.2165.6-62.30000108.1
413F42.5Very low42Very low186 Ų186135.6 Ų135.682%0.81680%0.795SS**  trans-12392.1166.4-85.3-74.8000109.9
414S38.7Very low42.2Very low102 Ų102136.3 Ų136.371%0.71380%0.799SS**  trans-73.4127.6154.646.40000108.5
415N43.1Very low41.9Very low169 Ų169131 Ų13190%0.90479%0.793SS**  trans-141.9143.9161.1-129.4-1.8000111.7
416N41Very low42Very low143 Ų143128.8 Ų128.877%0.76580%0.795SS**  trans-102.4135.8-162.5-158.724.4000110
417S47.5Very low41.8Very low109 Ų109126.2 Ų126.276%0.76280%0.798SS**  trans-150.585.616963.10000111.8
418N39Very low41.7Very low148 Ų148123.9 Ų123.979%0.79180%0.799SS**  trans-66126.6160.9-83.3-19.5000109.3
419V47.5Very low41.8Very low133 Ų133126 Ų12681%0.80680%0.803SS**  trans-129.8102.8154.7179.60000107.9
420S41.2Very low41.7Very low118 Ų118123.8 Ų123.883%0.82580%0.799SS**  trans-97.6116.6171.452.50000109.5
421S42.2Very low41.7Very low111 Ų111124.5 Ų124.578%0.77680%0.802SS**  trans-141105.5164.857.20000109.1
422A39.6Very low41.6Very low109 Ų109124.5 Ų124.590%0.90181%0.807SS**  trans-88.4136.2178.200000110.9
423S43.7Very low41.9Very low106 Ų106125.2 Ų125.274%0.74182%0.816SS**  trans-156.6103.4154.959.50000110.9
424S41.8Very low41.7Very low123 Ų123120 Ų12086%0.8681%0.814SS**  trans15.3131.4140.556.40000119.8
425G40.1Very low42Very low75 Ų75119 Ų11977%0.77382%0.82SS**  trans170.1106.8153.900000117.2
426A40.7Very low42.6Very low106 Ų106120.3 Ų120.388%0.87682%0.818SS**  trans60.4124.9152.600000120.4
427A41Very low43.3Very low108 Ų108118.7 Ų118.789%0.89381%0.81SS**  trans-76.5148.7169.600000112.5
428G42.2Very low43.7Very low76 Ų76116.8 Ų116.878%0.78480%0.8SS**  trans-139.982.317300000111
429N42.6Very low44.8Very low149 Ų149116 Ų11680%0.79780%0.796SS**  trans-88112.7-178.417488.4000111.2
430C39.9Very low45.4Very low122 Ų122116.8 Ų116.882%0.82479%0.789SS**  trans-142.581.5168.751.30000113
431K40.4Very low47.1Very low199 Ų199115.3 Ų115.387%0.86577%0.771SS**  trans-69.3122.4150.8-73.2176.6176.2174.40108.2
432S39.9Very low48.8Very low116 Ų116116.5 Ų116.581%0.81177%0.765SS**  trans151.299.3145.4-178.30000112.7
433S45.8Very low50.9Low121 Ų121118.3 Ų118.385%0.84675%0.75SS**  trans169.8127.2141.241.20000107.9
434G38.2Very low53Low76 Ų76116.2 Ų116.278%0.78473%0.732SS**  cis126.666.910.100000111.3
435G45.7Very low55.1Low82 Ų82115.7 Ų115.785%0.84572%0.719SS**SBendtrans87.620.8152.500000120.2
436K55.4Low57.5Low196 Ų196118.1 Ų118.185%0.85271%0.709SS**SBendtrans-133.1-3.1174-69.6-170.7178.9178.60118
437N54.4Low59.7Low110 Ų110116.9 Ų116.959%0.58869%0.687SS**SBendtrans-93.4-19.7-174.1-69.3-0.1000115.5N439 K440 D441N437-N439 VanDerWaalsContact C-N 3.31Å; N437-N439 PolarHBondContact O-N 2.93Å; N437-N439 VanDerWaalsContact O-N 3.13Å; N437-K440 WeakPolarHBondContact O-CA 3.27Å; N437-K440 WeakPolarHBondContact O-CB 3.28Å; N437-K440 PolarHBondContact O-N 3.41Å; N437-D441 PolarHBondContact O-N 3.32Å
438A56.5Low61.9Low69 Ų69115.8 Ų115.857%0.5766%0.663SS**Hα-helixtrans-52.2-42.9-172.400000114.2K440 D441 E442A438-K440 VanDerWaalsContact C-N 3.31Å; A438-K440 PolarHBondContact O-N 2.78Å; A438-D441 PolarHBondContact O-N 3.49Å; A438-E442 PolarHBondContact O-N 3.47Å
439N61.2Low64.2Low131 Ų131114.9 Ų114.970%0.70165%0.648SS**Hα-helixtrans-68.2-28.9178.2-644.9000113N437 Y443N437-N439 VanDerWaalsContact C-N 3.31Å; N437-N439 PolarHBondContact O-N 2.93Å; N437-N439 VanDerWaalsContact O-N 3.13Å; N439-Y443 WeakPolarHBondContact O-CB 3.43Å; N439-Y443 PolarHBondContact O-N 2.88Å; N439-Y443 VanDerWaalsContact O-N 3.16Å
440K61.7Low66.6Low149 Ų149112.1 Ų112.165%0.64863%0.63SS**Hα-helixtrans-75.7-37.7176.8-169.2174.5-177.91780110.6N437 A438 T444N437-K440 WeakPolarHBondContact O-CA 3.27Å; N437-K440 WeakPolarHBondContact O-CB 3.28Å; N437-K440 PolarHBondContact O-N 3.41Å; A438-K440 VanDerWaalsContact C-N 3.31Å; A438-K440 PolarHBondContact O-N 2.78Å; K440-T444 WeakPolarHBondContact O-CB 3.46Å; K440-T444 PolarHBondContact O-N 2.95Å; K440-T444 PolarHBondContact O-OG1 2.94Å
441D76.4Confident69Low87 Ų87109 Ų10947%0.46561%0.614SS.*Hα-helixtrans-67.3-42.7175.5-55.9-33.4000110.5N437 A438 T444 L445N437-D441 PolarHBondContact O-N 3.32Å; A438-D441 PolarHBondContact O-N 3.49Å; D441-T444 PolarHBondContact O-N 2.85Å; D441-L445 WeakPolarHBondContact O-CB 3.49Å; D441-L445 VanDerWaalsContact O-CG 3.29Å; D441-L445 WeakPolarHBondContact O-CG 3.32Å; D441-L445 PolarHBondContact O-N 3.32Å
442E78.1Confident71.4Confident137 Ų137107.7 Ų107.764%0.6460%0.603SS**Hα-helixtrans-61.5-46175.1-171.1-178.2169.700112.6A438 T444 L445 K446A438-E442 PolarHBondContact O-N 3.47Å; E442-T444 VanDerWaalsContact C-N 3.32Å; E442-T444 PolarHBondContact O-N 3.43Å; E442-L445 PolarHBondContact O-N 3.5Å; E442-K446 WeakPolarHBondContact O-CB 3.49Å; E442-K446 PolarHBondContact O-N 3.25Å
443Y83.6Confident73.9Confident147 Ų147106.6 Ų106.658%0.57659%0.588SS**Hα-helixtrans-63-39175.7-178.7-106.5000112.2N439 K446 L447N439-Y443 WeakPolarHBondContact O-CB 3.43Å; N439-Y443 PolarHBondContact O-N 2.88Å; N439-Y443 VanDerWaalsContact O-N 3.16Å; Y443-K446 PolarHBondContact O-N 3.44Å; Y443-L447 HydrophobicContact CD1-CD1 3.96Å; Y443-L447 HydrophobicContact CE1-CD1 3.38Å; Y443-L447 HydrophobicContact CE1-CG 4.12Å; Y443-L447 HydrophobicContact CE2-CG 4.48Å; Y443-L447 PolarHBondContact O-N 3.34Å
444T87.1Confident76.2Confident62 Ų62105.4 Ų105.438%0.3857%0.572SS.*Hα-helixtrans-66.1-44.6177-54.60000111.1K440 D441 E442 K446 L447 E448K440-T444 WeakPolarHBondContact O-CB 3.46Å; K440-T444 PolarHBondContact O-N 2.95Å; K440-T444 PolarHBondContact O-OG1 2.94Å; D441-T444 PolarHBondContact O-N 2.85Å; E442-T444 VanDerWaalsContact C-N 3.32Å; E442-T444 PolarHBondContact O-N 3.43Å; T444-K446 VanDerWaalsContact C-N 3.31Å; T444-K446 PolarHBondContact O-N 3.09Å; T444-L447 PolarHBondContact O-N 3.43Å; T444-E448 PolarHBondContact O-N 2.9Å
445L86.9Confident78.9Confident112 Ų112109.2 Ų109.259%0.58657%0.567SS**Hα-helixtrans-61.9-37.5174.9-73.6168.3000112.4D441 E442 E448 A449D441-L445 WeakPolarHBondContact O-CB 3.49Å; D441-L445 VanDerWaalsContact O-CG 3.29Å; D441-L445 WeakPolarHBondContact O-CG 3.32Å; D441-L445 PolarHBondContact O-N 3.32Å; E442-L445 PolarHBondContact O-N 3.5Å; L445-E448 PolarHBondContact O-N 3.08Å; L445-A449 WeakPolarHBondContact O-CB 3.44Å; L445-A449 PolarHBondContact O-N 3.11Å
446K89Confident81.2Confident126 Ų126108.4 Ų108.455%0.54855%0.548SS..Hα-helixtrans-65.6-45.8174.7-174.4174.2175.8179.10111.8E442 Y443 T444 E448 A449 E450E442-K446 WeakPolarHBondContact O-CB 3.49Å; E442-K446 PolarHBondContact O-N 3.25Å; Y443-K446 PolarHBondContact O-N 3.44Å; T444-K446 VanDerWaalsContact C-N 3.31Å; T444-K446 PolarHBondContact O-N 3.09Å; K446-E448 VanDerWaalsContact C-N 3.33Å; K446-E448 PolarHBondContact O-N 3.39Å; K446-A449 PolarHBondContact O-N 2.97Å; K446-E450 WeakPolarHBondContact CE-OE1 3.39Å; K446-E450 WeakPolarHBondContact O-CG 3.43Å; K446-E450 PolarHBondContact O-N 3.26Å
447L87.3Confident83.1Confident79 Ų79103.8 Ų103.841%0.41453%0.53SS..Hα-helixtrans-61.7-38.9173.7-75.9177.4000112.4Y443 T444 E450 A451Y443-L447 HydrophobicContact CD1-CD1 3.96Å; Y443-L447 HydrophobicContact CE1-CD1 3.38Å; Y443-L447 HydrophobicContact CE1-CG 4.12Å; Y443-L447 HydrophobicContact CE2-CG 4.48Å; Y443-L447 PolarHBondContact O-N 3.34Å; T444-L447 PolarHBondContact O-N 3.43Å; L447-E450 PolarHBondContact O-N 3.49Å; L447-A451 VanDerWaalsContact O-CB 3.27Å; L447-A451 WeakPolarHBondContact O-CB 3.29Å; L447-A451 PolarHBondContact O-N 3.48Å
448E88.4Confident85Confident85 Ų85102.6 Ų102.640%0.39752%0.522SS..Hα-helixtrans-63.7-40.2173.5-80.4-166.4-151.800112.6T444 L445 K446 A451 R452T444-E448 PolarHBondContact O-N 2.9Å; L445-E448 PolarHBondContact O-N 3.08Å; K446-E448 VanDerWaalsContact C-N 3.33Å; K446-E448 PolarHBondContact O-N 3.39Å; E448-A451 PolarHBondContact O-N 3.48Å; E448-R452 WeakPolarHBondContact O-CB 3.49Å; E448-R452 VanDerWaalsContact O-CG 3.23Å; E448-R452 WeakPolarHBondContact O-CG 3.04Å; E448-R452 PolarHBondContact O-N 2.95Å; E448-R452 IonicContact OE2-CZ 2.71Å; E448-R452 IonicContact OE2-NH2 3.98Å; E448-R452 PolarHBondContact OE2-NH2 2.87Å
449A90.4Very high86.8Confident57 Ų57106 Ų10647%0.47153%0.526SS..Hα-helixtrans-65.8-44.2175.900000111.5L445 K446 R452 N453L445-A449 WeakPolarHBondContact O-CB 3.44Å; L445-A449 PolarHBondContact O-N 3.11Å; K446-A449 PolarHBondContact O-N 2.97Å; A449-R452 PolarHBondContact O-N 3.31Å; A449-N453 WeakPolarHBondContact O-CB 3.42Å; A449-N453 PolarHBondContact O-N 2.89Å
450E91.5Very high88.4Confident91 Ų91103.5 Ų103.543%0.42552%0.519SS..Hα-helixtrans-63.3-41.1175.1-73.1175.5-163.900111.6K446 L447 R452 N453 L454K446-E450 WeakPolarHBondContact CE-OE1 3.39Å; K446-E450 WeakPolarHBondContact O-CG 3.43Å; K446-E450 PolarHBondContact O-N 3.26Å; L447-E450 PolarHBondContact O-N 3.49Å; E450-R452 PolarHBondContact O-N 3.2Å; E450-N453 PolarHBondContact O-N 2.89Å; E450-L454 WeakPolarHBondContact O-CB 3.32Å; E450-L454 VanDerWaalsContact O-CG 3.31Å; E450-L454 WeakPolarHBondContact O-CG 3.38Å; E450-L454 PolarHBondContact O-N 2.7Å
451A90.2Very high90Very high57 Ų57101.1 Ų101.147%0.47151%0.513SS..Hα-helixtrans-64.5-38.817500000112.9L447 E448 K455L447-A451 VanDerWaalsContact O-CB 3.27Å; L447-A451 WeakPolarHBondContact O-CB 3.29Å; L447-A451 PolarHBondContact O-N 3.48Å; E448-A451 PolarHBondContact O-N 3.48Å; A451-K455 WeakPolarHBondContact O-CB 3.28Å; A451-K455 PolarHBondContact O-N 3.19Å
452R91.9Very high91Very high171 Ų171104.7 Ų104.765%0.64552%0.52SS*.Hα-helixtrans-66.4-40.7172.9-70.9172.1-160.4-15710111.3E448 A449 E450 K455 S456E448-R452 WeakPolarHBondContact O-CB 3.49Å; E448-R452 VanDerWaalsContact O-CG 3.23Å; E448-R452 WeakPolarHBondContact O-CG 3.04Å; E448-R452 PolarHBondContact O-N 2.95Å; E448-R452 IonicContact OE2-CZ 2.71Å; E448-R452 IonicContact OE2-NH2 3.98Å; E448-R452 PolarHBondContact OE2-NH2 2.87Å; A449-R452 PolarHBondContact O-N 3.31Å; E450-R452 PolarHBondContact O-N 3.2Å; R452-K455 PolarHBondContact O-N 3.45Å; R452-S456 PolarHBondContact O-N 2.77Å; R452-S456 VanDerWaalsContact O-N 3.1Å
453N92.6Very high91.7Very high94 Ų94102 Ų10250%0.50352%0.516SS..Hα-helixtrans-63.2-53176.7-171.955.2000111.4A449 E450 K455 S456 E457A449-N453 WeakPolarHBondContact O-CB 3.42Å; A449-N453 PolarHBondContact O-N 2.89Å; E450-N453 PolarHBondContact O-N 2.89Å; N453-K455 VanDerWaalsContact C-N 3.27Å; N453-K455 PolarHBondContact O-N 2.87Å; N453-S456 WeakPolarHBondContact O-CA 3.29Å; N453-S456 WeakPolarHBondContact O-CB 3.5Å; N453-S456 PolarHBondContact O-N 2.94Å; N453-S456 PolarHBondContact O-OG 3.23Å; N453-E457 PolarHBondContact O-N 2.81Å
454L94Very high92.3Very high96 Ų9697 Ų9750%0.50350%0.503SS..Hα-helixtrans-56.4-39.2176.4-73.3168.2000112.2E450 S456 E457 I458E450-L454 WeakPolarHBondContact O-CB 3.32Å; E450-L454 VanDerWaalsContact O-CG 3.31Å; E450-L454 WeakPolarHBondContact O-CG 3.38Å; E450-L454 PolarHBondContact O-N 2.7Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3.12Å; L454-E457 PolarHBondContact O-N 3.45Å; L454-I458 WeakPolarHBondContact O-CB 3.4Å; L454-I458 WeakPolarHBondContact O-CD1 3.27Å; L454-I458 VanDerWaalsContact O-CG1 3.25Å; L454-I458 WeakPolarHBondContact O-CG1 3.38Å; L454-I458 PolarHBondContact O-N 3.33Å
455K94.8Very high92.6Very high156 Ų15698.2 Ų98.268%0.67850%0.504SS*.Hα-helixtrans-62.8-40.5174.5-174.7174.9-179.1176.30112.3A451 R452 N453 Q459A451-K455 WeakPolarHBondContact O-CB 3.28Å; A451-K455 PolarHBondContact O-N 3.19Å; R452-K455 PolarHBondContact O-N 3.45Å; N453-K455 VanDerWaalsContact C-N 3.27Å; N453-K455 PolarHBondContact O-N 2.87Å; K455-Q459 PolarHBondContact O-N 3.43Å
456S93.8Very high93.1Very high64 Ų6498.7 Ų98.745%0.44851%0.506SS..Hα-helixtrans-69.3-37.2175.979.10000112.4R452 N453 L454 Q459 S460R452-S456 PolarHBondContact O-N 2.77Å; R452-S456 VanDerWaalsContact O-N 3.1Å; N453-S456 WeakPolarHBondContact O-CA 3.29Å; N453-S456 WeakPolarHBondContact O-CB 3.5Å; N453-S456 PolarHBondContact O-N 2.94Å; N453-S456 PolarHBondContact O-OG 3.23Å; L454-S456 VanDerWaalsContact C-N 3.35Å; L454-S456 PolarHBondContact O-N 3.12Å; S456-Q459 PolarHBondContact O-N 3.47Å; S456-S460 PolarHBondContact O-N 3.38Å
457E95.1Very high93.4Very high100 Ų10099.4 Ų99.447%0.46751%0.511SS..Hα-helixtrans-68.2-43.8177.5-170.3170.6-170.600111.5N453 L454 Q459 S460 L461N453-E457 PolarHBondContact O-N 2.81Å; L454-E457 PolarHBondContact O-N 3.45Å; E457-Q459 VanDerWaalsContact C-N 3.27Å; E457-Q459 PolarHBondContact O-N 2.79Å; E457-S460 WeakPolarHBondContact O-CB 3.46Å; E457-S460 PolarHBondContact O-N 3.07Å; E457-S460 VanDerWaalsContact O-N 3.16Å; E457-L461 HydrophobicContact CG-CD1 4.16Å; E457-L461 HydrophobicContact CG-CG 4.48Å; E457-L461 WeakPolarHBondContact O-CB 3.45Å; E457-L461 VanDerWaalsContact O-CG 3.3Å; E457-L461 WeakPolarHBondContact O-CG 3.32Å; E457-L461 PolarHBondContact O-N 3.13Å
458I94.8Very high93.8Very high84 Ų84100.4 Ų100.443%0.43152%0.517SS..Hα-helixtrans-58.7-38.8172.1-70.4164.4000111.4L454 R462L454-I458 WeakPolarHBondContact O-CB 3.4Å; L454-I458 WeakPolarHBondContact O-CD1 3.27Å; L454-I458 VanDerWaalsContact O-CG1 3.25Å; L454-I458 WeakPolarHBondContact O-CG1 3.38Å; L454-I458 PolarHBondContact O-N 3.33Å; I458-R462 WeakPolarHBondContact O-CG 3.26Å; I458-R462 PolarHBondContact O-N 2.84Å
459Q95.1Very high94.2Very high140 Ų140103.7 Ų103.765%0.65453%0.526SS*.Hα-helixtrans-69-39.6176.9-173.5171.8-10.100111.9K455 S456 E457 S463K455-Q459 PolarHBondContact O-N 3.43Å; S456-Q459 PolarHBondContact O-N 3.47Å; E457-Q459 VanDerWaalsContact C-N 3.27Å; E457-Q459 PolarHBondContact O-N 2.79Å; Q459-S463 PolarHBondContact O-N 3.21Å
460S94.5Very high94.4Very high79 Ų79102.7 Ų102.755%0.55252%0.521SS*.Hα-helixtrans-61.9-48.4172.9-173.30000111.8S456 E457 R462 S463 S464S456-S460 PolarHBondContact O-N 3.38Å; E457-S460 WeakPolarHBondContact O-CB 3.46Å; E457-S460 PolarHBondContact O-N 3.07Å; E457-S460 VanDerWaalsContact O-N 3.16Å; S460-R462 VanDerWaalsContact C-N 3.34Å; S460-R462 PolarHBondContact O-N 3.38Å; S460-S463 WeakPolarHBondContact O-CA 3.38Å; S460-S463 WeakPolarHBondContact O-CB 3.23Å; S460-S463 PolarHBondContact O-N 3.25Å; S460-S464 PolarHBondContact O-N 3.14Å
461L95.2Very high94.6Very high100 Ų100103.2 Ų103.252%0.52452%0.523SS..Hα-helixtrans-62.3-36.7178.7-71.5171.4000112.7E457 S464 E465E457-L461 HydrophobicContact CG-CD1 4.16Å; E457-L461 HydrophobicContact CG-CG 4.48Å; E457-L461 WeakPolarHBondContact O-CB 3.45Å; E457-L461 VanDerWaalsContact O-CG 3.3Å; E457-L461 WeakPolarHBondContact O-CG 3.32Å; E457-L461 PolarHBondContact O-N 3.13Å; L461-S464 WeakPolarHBondContact CA-OG 3.42Å; L461-S464 PolarHBondContact O-N 2.85Å; L461-S464 PolarHBondContact O-OG 3.21Å; L461-E465 VanDerWaalsContact O-CB 3.31Å; L461-E465 WeakPolarHBondContact O-CB 3.13Å; L461-E465 PolarHBondContact O-N 2.81Å
462R96.3Very high94.9Very high162 Ų162104.8 Ų104.861%0.61153%0.527SS*.Hα-helixtrans-65.6-37.9171.9-75.5173.5-179.2163.31.6112.3I458 S460 E465 I466I458-R462 WeakPolarHBondContact O-CG 3.26Å; I458-R462 PolarHBondContact O-N 2.84Å; S460-R462 VanDerWaalsContact C-N 3.34Å; S460-R462 PolarHBondContact O-N 3.38Å; R462-E465 PolarHBondContact O-N 2.69Å; R462-I466 WeakPolarHBondContact O-CD1 3.36Å; R462-I466 VanDerWaalsContact O-CG1 3.27Å; R462-I466 WeakPolarHBondContact O-CG1 3.18Å; R462-I466 PolarHBondContact O-N 3.1Å
463S94.3Very high95.1Very high79 Ų79103.6 Ų103.655%0.55253%0.528SS*.Hα-helixtrans-66.3-42176.4-1670000111.7Q459 S460 Q467Q459-S463 PolarHBondContact O-N 3.21Å; S460-S463 WeakPolarHBondContact O-CA 3.38Å; S460-S463 WeakPolarHBondContact O-CB 3.23Å; S460-S463 PolarHBondContact O-N 3.25Å; S463-Q467 PolarHBondContact O-N 2.82Å; S463-Q467 VanDerWaalsContact O-N 3.12Å
464S94.7Very high95.2Very high43 Ų43105.9 Ų105.930%0.30154%0.536SS..Hα-helixtrans-70.9-34.8176.5640000112.3S460 L461 Q467 L468S460-S464 PolarHBondContact O-N 3.14Å; L461-S464 WeakPolarHBondContact CA-OG 3.42Å; L461-S464 PolarHBondContact O-N 2.85Å; L461-S464 PolarHBondContact O-OG 3.21Å; S464-Q467 PolarHBondContact O-N 2.8Å; S464-L468 WeakPolarHBondContact O-CB 3.42Å; S464-L468 VanDerWaalsContact O-CG 3.28Å; S464-L468 WeakPolarHBondContact O-CG 3.35Å; S464-L468 PolarHBondContact O-N 2.92Å
465E94.8Very high95.3Very high87 Ų87106.5 Ų106.541%0.40754%0.54SS..Hα-helixtrans-59.8-47.3172.2-170.8-168.3175.100111.7L461 R462 Q467 L468 R469L461-E465 VanDerWaalsContact O-CB 3.31Å; L461-E465 WeakPolarHBondContact O-CB 3.13Å; L461-E465 PolarHBondContact O-N 2.81Å; R462-E465 PolarHBondContact O-N 2.69Å; E465-Q467 VanDerWaalsContact C-N 3.32Å; E465-Q467 PolarHBondContact O-N 3.41Å; E465-L468 PolarHBondContact O-N 3.5Å; E465-R469 WeakPolarHBondContact O-CB 3.48Å; E465-R469 VanDerWaalsContact O-CG 3.31Å; E465-R469 WeakPolarHBondContact O-CG 3.27Å; E465-R469 PolarHBondContact O-N 2.85Å; E465-R469 IonicContact OE1-CZ 2.84Å; E465-R469 IonicContact OE1-NE 3.18Å; E465-R469 PolarHBondContact OE1-NE 2.87Å; E465-R469 IonicContact OE1-NH2 3.63Å; E465-R469 PolarHBondContact OE1-NH2 2.87Å
466I95.9Very high95.4Very high123 Ų123102.8 Ų102.863%0.63153%0.527SS*.Hα-helixtrans-61.4-42.4177.4-68164.7000110.6R462 R469 G470R462-I466 WeakPolarHBondContact O-CD1 3.36Å; R462-I466 VanDerWaalsContact O-CG1 3.27Å; R462-I466 WeakPolarHBondContact O-CG1 3.18Å; R462-I466 PolarHBondContact O-N 3.1Å; I466-R469 PolarHBondContact O-N 2.8Å; I466-G470 PolarHBondContact O-N 3.3Å
467Q95.5Very high95.4Very high140 Ų140102.2 Ų102.265%0.65453%0.526SS*.Hα-helixtrans-62.5-45.1176.3-174.2179.22.800112.2S463 S464 E465 G470 Q471S463-Q467 PolarHBondContact O-N 2.82Å; S463-Q467 VanDerWaalsContact O-N 3.12Å; S464-Q467 PolarHBondContact O-N 2.8Å; E465-Q467 VanDerWaalsContact C-N 3.32Å; E465-Q467 PolarHBondContact O-N 3.41Å; Q467-G470 PolarHBondContact O-N 3.32Å; Q467-Q471 PolarHBondContact O-N 3.44Å
468L95.6Very high95.5Very high101 Ų10198.8 Ų98.853%0.52952%0.515SS..Hα-helixtrans-65.2-40.9177.5-73.4168.4000111.8S464 E465 G470 Q471 V472S464-L468 WeakPolarHBondContact O-CB 3.42Å; S464-L468 VanDerWaalsContact O-CG 3.28Å; S464-L468 WeakPolarHBondContact O-CG 3.35Å; S464-L468 PolarHBondContact O-N 2.92Å; E465-L468 PolarHBondContact O-N 3.5Å; L468-G470 VanDerWaalsContact C-N 3.33Å; L468-G470 PolarHBondContact O-N 3.12Å; L468-Q471 PolarHBondContact O-N 3.4Å; L468-V472 WeakPolarHBondContact O-CG2 3.28Å; L468-V472 PolarHBondContact O-N 2.96Å
469R96.2Very high95.5Very high154 Ų15499.2 Ų99.258%0.58152%0.515SS*.Hα-helixtrans-59.6-43.1173.2-73.9173.5178.4-131.85.4111.4E465 I466 V472 Q473E465-R469 WeakPolarHBondContact O-CB 3.48Å; E465-R469 VanDerWaalsContact O-CG 3.31Å; E465-R469 WeakPolarHBondContact O-CG 3.27Å; E465-R469 PolarHBondContact O-N 2.85Å; E465-R469 IonicContact OE1-CZ 2.84Å; E465-R469 IonicContact OE1-NE 3.18Å; E465-R469 PolarHBondContact OE1-NE 2.87Å; E465-R469 IonicContact OE1-NH2 3.63Å; E465-R469 PolarHBondContact OE1-NH2 2.87Å; I466-R469 PolarHBondContact O-N 2.8Å; R469-V472 PolarHBondContact O-N 3.07Å; R469-Q473 WeakPolarHBondContact O-CG 3.36Å; R469-Q473 PolarHBondContact O-N 3.43Å
470G95.8Very high95.5Very high36 Ų36100.9 Ų100.937%0.37152%0.515SS..Hα-helixtrans-62.1-42.8173.600000112.9I466 Q467 L468 Q473 Q474I466-G470 PolarHBondContact O-N 3.3Å; Q467-G470 PolarHBondContact O-N 3.32Å; L468-G470 VanDerWaalsContact C-N 3.33Å; L468-G470 PolarHBondContact O-N 3.12Å; G470-Q473 PolarHBondContact O-N 2.89Å; G470-Q474 PolarHBondContact O-N 2.82Å
471Q95.8Very high95.4Very high101 Ų101100.3 Ų100.347%0.47251%0.508SS..Hα-helixtrans-64.6-39.2176.7-169.4176.310.900112.4Q467 L468 Q474 L475Q467-Q471 PolarHBondContact O-N 3.44Å; L468-Q471 PolarHBondContact O-N 3.4Å; Q471-Q474 PolarHBondContact O-N 2.65Å; Q471-L475 HydrophobicContact CG-CD1 4.23Å; Q471-L475 WeakPolarHBondContact O-CB 3.38Å; Q471-L475 WeakPolarHBondContact O-CG 3.06Å; Q471-L475 PolarHBondContact O-N 2.79Å
472V96.3Very high95.3Very high91 Ų91103 Ų10355%0.55251%0.512SS*.Hα-helixtrans-63.4-42.8174.4169.30000111.2L468 R469 Q474 L475 L476L468-V472 WeakPolarHBondContact O-CG2 3.28Å; L468-V472 PolarHBondContact O-N 2.96Å; R469-V472 PolarHBondContact O-N 3.07Å; V472-Q474 VanDerWaalsContact C-N 3.35Å; V472-Q474 PolarHBondContact O-N 2.96Å; V472-L475 PolarHBondContact O-N 2.88Å; V472-L476 VanDerWaalsContact O-CB 3.31Å; V472-L476 WeakPolarHBondContact O-CB 3.48Å; V472-L476 PolarHBondContact O-N 3.34Å
473Q96.1Very high95.2Very high145 Ų145103.1 Ų103.168%0.67851%0.513SS*.Hα-helixtrans-62.6-41.3175.2-72.1177.7-5.600112.1R469 G470 L476 A477R469-Q473 WeakPolarHBondContact O-CG 3.36Å; R469-Q473 PolarHBondContact O-N 3.43Å; G470-Q473 PolarHBondContact O-N 2.89Å; Q473-L476 PolarHBondContact O-N 3.41Å; Q473-A477 WeakPolarHBondContact O-CB 3.33Å; Q473-A477 PolarHBondContact O-N 3.45Å
474Q95.4Very high95.1Very high143 Ų143102.8 Ų102.867%0.66851%0.511SS*.Hα-helixtrans-65.2-43.2176.1-170.417927.100112.2G470 Q471 V472 A477 A478G470-Q474 PolarHBondContact O-N 2.82Å; Q471-Q474 PolarHBondContact O-N 2.65Å; V472-Q474 VanDerWaalsContact C-N 3.35Å; V472-Q474 PolarHBondContact O-N 2.96Å; Q474-A477 PolarHBondContact O-N 2.87Å; Q474-A478 WeakPolarHBondContact O-CB 3.37Å; Q474-A478 PolarHBondContact O-N 3.27Å
475L94.8Very high95Very high109 Ų109105.8 Ų105.857%0.57152%0.52SS*.Hα-helixtrans-65.5-37.7176.6-74171.7000112.2Q471 V472 A478 E479Q471-L475 HydrophobicContact CG-CD1 4.23Å; Q471-L475 WeakPolarHBondContact O-CB 3.38Å; Q471-L475 WeakPolarHBondContact O-CG 3.06Å; Q471-L475 PolarHBondContact O-N 2.79Å; V472-L475 PolarHBondContact O-N 2.88Å; L475-A478 PolarHBondContact O-N 3.37Å; L475-E479 PolarHBondContact O-N 3.25Å
476L96.7Very high94.8Very high78 Ų78104 Ų10441%0.40852%0.518SS..Hα-helixtrans-69.1-37.2176.3-171.5153.6000111.7V472 Q473 E479 R480V472-L476 VanDerWaalsContact O-CB 3.31Å; V472-L476 WeakPolarHBondContact O-CB 3.48Å; V472-L476 PolarHBondContact O-N 3.34Å; Q473-L476 PolarHBondContact O-N 3.41Å; L476-E479 PolarHBondContact O-N 2.84Å; L476-R480 VanDerWaalsContact CD2-CZ 3.47Å; L476-R480 WeakPolarHBondContact O-CG 3.45Å; L476-R480 PolarHBondContact O-N 3Å
477A95.4Very high94.7Very high52 Ų52100.9 Ų100.943%0.4351%0.506SS..Hα-helixtrans-63.5-44.2170.900000111.6Q473 Q474 R480 T481Q473-A477 WeakPolarHBondContact O-CB 3.33Å; Q473-A477 PolarHBondContact O-N 3.45Å; Q474-A477 PolarHBondContact O-N 2.87Å; A477-R480 WeakPolarHBondContact O-CB 3.32Å; A477-R480 PolarHBondContact O-N 3.01Å; A477-T481 PolarHBondContact O-N 3.35Å
478A95.9Very high94.6Very high28 Ų2899.4 Ų99.423%0.23150%0.5CS..Hα-helixtrans-65.5-36.4175.900000112.8Q474 L475 R480 T481 Y482Q474-A478 WeakPolarHBondContact O-CB 3.37Å; Q474-A478 PolarHBondContact O-N 3.27Å; L475-A478 PolarHBondContact O-N 3.37Å; A478-R480 VanDerWaalsContact C-N 3.29Å; A478-R480 PolarHBondContact O-N 3.41Å; A478-T481 WeakPolarHBondContact CA-OG1 3.44Å; A478-T481 PolarHBondContact O-N 2.8Å; A478-T481 PolarHBondContact O-OG1 3.31Å; A478-Y482 HydrophobicContact CB-CD2 4.38Å; A478-Y482 HydrophobicContact CB-CE2 4.05Å; A478-Y482 WeakPolarHBondContact O-CD2 3.23Å; A478-Y482 PolarHBondContact O-N 2.79Å
479E94.6Very high94.4Very high92 Ų9296.6 Ų96.643%0.4349%0.49SS..Hα-helixtrans-60.1-41.5174-165.1-160.5156.200111L475 L476 R483L475-E479 PolarHBondContact O-N 3.25Å; L476-E479 PolarHBondContact O-N 2.84Å; E479-R483 WeakPolarHBondContact O-CB 3.23Å; E479-R483 VanDerWaalsContact O-CG 3.29Å; E479-R483 WeakPolarHBondContact O-CG 3.41Å; E479-R483 PolarHBondContact O-N 3.46Å; E479-R483 IonicContact OE1-CZ 3.18Å; E479-R483 IonicContact OE1-NE 2.75Å; E479-R483 PolarHBondContact OE1-NE 3.43Å; E479-R483 IonicContact OE1-NH2 3.18Å; E479-R483 PolarHBondContact OE1-NH2 3.05Å
480R94.9Very high94.4Very high175 Ų17594 Ų9466%0.6649%0.485SS*.Hα-helixtrans-63.2-44.6176.7-69.6172.4178.8173.1-1.3111.9L476 A477 A478 R483 S484L476-R480 VanDerWaalsContact CD2-CZ 3.47Å; L476-R480 WeakPolarHBondContact O-CG 3.45Å; L476-R480 PolarHBondContact O-N 3Å; A477-R480 WeakPolarHBondContact O-CB 3.32Å; A477-R480 PolarHBondContact O-N 3.01Å; A478-R480 VanDerWaalsContact C-N 3.29Å; A478-R480 PolarHBondContact O-N 3.41Å; R480-R483 PolarHBondContact O-N 3.29Å; R480-S484 PolarHBondContact O-N 2.81Å; R480-S484 PolarHBondContact O-OG 3.11Å
481T94.1Very high94.3Very high68 Ų6898.4 Ų98.442%0.41750%0.496SS..Hα-helixtrans-65.5-44.7178.256.50000111.7A477 A478 R483 S484 E485A477-T481 PolarHBondContact O-N 3.35Å; A478-T481 WeakPolarHBondContact CA-OG1 3.44Å; A478-T481 PolarHBondContact O-N 2.8Å; A478-T481 PolarHBondContact O-OG1 3.31Å; T481-R483 VanDerWaalsContact C-N 3.29Å; T481-R483 PolarHBondContact O-N 3.4Å; T481-S484 WeakPolarHBondContact CA-OG 3.3Å; T481-S484 PolarHBondContact O-N 2.85Å; T481-S484 PolarHBondContact O-OG 3.44Å; T481-E485 WeakPolarHBondContact O-CB 3.37Å; T481-E485 WeakPolarHBondContact O-CG 3.41Å; T481-E485 PolarHBondContact O-N 2.87Å
482Y92.8Very high94.3Very high155 Ų15597.4 Ų97.461%0.60849%0.491SS*.Hα-helixtrans-64-31.9175.8-66.5-47.4000112.9A478 E485 S486A478-Y482 HydrophobicContact CB-CD2 4.38Å; A478-Y482 HydrophobicContact CB-CE2 4.05Å; A478-Y482 WeakPolarHBondContact O-CD2 3.23Å; A478-Y482 PolarHBondContact O-N 2.79Å; Y482-E485 WeakPolarHBondContact CD1-OE2 3.33Å; Y482-S486 WeakPolarHBondContact O-CB 3.46Å; Y482-S486 PolarHBondContact O-N 3Å
483R93.1Very high93.9Very high165 Ų16596.4 Ų96.462%0.62349%0.488SS*.Hα-helixtrans-67-43.7172.4-78.7178.2-178.7-861.7112.2E479 R480 T481 S487E479-R483 WeakPolarHBondContact O-CB 3.23Å; E479-R483 VanDerWaalsContact O-CG 3.29Å; E479-R483 WeakPolarHBondContact O-CG 3.41Å; E479-R483 PolarHBondContact O-N 3.46Å; E479-R483 IonicContact OE1-CZ 3.18Å; E479-R483 IonicContact OE1-NE 2.75Å; E479-R483 PolarHBondContact OE1-NE 3.43Å; E479-R483 IonicContact OE1-NH2 3.18Å; E479-R483 PolarHBondContact OE1-NH2 3.05Å; R480-R483 PolarHBondContact O-N 3.29Å; T481-R483 VanDerWaalsContact C-N 3.29Å; T481-R483 PolarHBondContact O-N 3.4Å; R483-S487 PolarHBondContact O-N 2.98Å
484S93.4Very high93.8Very high72 Ų7296.2 Ų96.250%0.50349%0.488SS..Hα-helixtrans-65.8-44175.245.70000112.3R480 T481 S486 S487 Q488R480-S484 PolarHBondContact O-N 2.81Å; R480-S484 PolarHBondContact O-OG 3.11Å; T481-S484 WeakPolarHBondContact CA-OG 3.3Å; T481-S484 PolarHBondContact O-N 2.85Å; T481-S484 PolarHBondContact O-OG 3.44Å; S484-S486 PolarHBondContact O-N 2.86Å; S484-S487 PolarHBondContact O-N 3.23Å; S484-Q488 WeakPolarHBondContact O-CB 3.44Å; S484-Q488 PolarHBondContact O-N 3.42Å
485E92.9Very high93.8Very high106 Ų10691.8 Ų91.850%0.49547%0.472SS..Hα-helixtrans-62.2-41.7177.2-72.6171.5179.800111.7T481 Y482 Q488 A489T481-E485 WeakPolarHBondContact O-CB 3.37Å; T481-E485 WeakPolarHBondContact O-CG 3.41Å; T481-E485 PolarHBondContact O-N 2.87Å; Y482-E485 WeakPolarHBondContact CD1-OE2 3.33Å; E485-Q488 PolarHBondContact O-N 2.75Å; E485-A489 WeakPolarHBondContact O-CB 3.4Å; E485-A489 PolarHBondContact O-N 3.09Å
486S89.7Confident93.9Very high51 Ų5190.9 Ų90.936%0.35747%0.468SS..Hα-helixtrans-62.9-42.4175.5-174.80000111.9Y482 S484 A489 Q490Y482-S486 WeakPolarHBondContact O-CB 3.46Å; Y482-S486 PolarHBondContact O-N 3Å; S484-S486 PolarHBondContact O-N 2.86Å; S486-A489 PolarHBondContact O-N 3Å; S486-Q490 WeakPolarHBondContact O-CG 3.07Å; S486-Q490 PolarHBondContact O-N 3.19Å
487S93.2Very high93.8Very high56 Ų5692.1 Ų92.139%0.39247%0.471SS..Hα-helixtrans-67.1-37176-169.30000112.5R483 S484 Q490 Q491R483-S487 PolarHBondContact O-N 2.98Å; S484-S487 PolarHBondContact O-N 3.23Å; S487-Q490 PolarHBondContact O-N 3.42Å; S487-Q491 WeakPolarHBondContact O-CG 3.29Å; S487-Q491 PolarHBondContact O-N 3.1Å
488Q93.9Very high93.8Very high110 Ų11092.4 Ų92.451%0.51447%0.473SS..Hα-helixtrans-65.5-47.7174.7-180-179.6-18.200110.9S484 E485 Q490 Q491 E492S484-Q488 WeakPolarHBondContact O-CB 3.44Å; S484-Q488 PolarHBondContact O-N 3.42Å; E485-Q488 PolarHBondContact O-N 2.75Å; Q488-Q490 PolarHBondContact O-N 3.43Å; Q488-Q491 PolarHBondContact O-N 3.21Å; Q488-Q491 VanDerWaalsContact O-N 3.1Å; Q488-E492 HydrophobicContact CG-CG 4.45Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.43Å; Q488-E492 PolarHBondContact NE2-OE1 3.47Å; Q488-E492 WeakPolarHBondContact O-CG 3.45Å; Q488-E492 PolarHBondContact O-N 2.9Å
489A92Very high93.9Very high41 Ų4196.5 Ų96.534%0.33949%0.486SS..Hα-helixtrans-60.8-33.2178.100000112.6E485 S486 S493E485-A489 WeakPolarHBondContact O-CB 3.4Å; E485-A489 PolarHBondContact O-N 3.09Å; S486-A489 PolarHBondContact O-N 3Å; A489-S493 VanDerWaalsContact O-CB 3.22Å; A489-S493 WeakPolarHBondContact O-CB 3.19Å; A489-S493 PolarHBondContact O-N 3.49Å
490Q94.8Very high93.9Very high101 Ų10196.7 Ų96.747%0.47249%0.49SS..Hα-helixtrans-65-48.4171.9-75174.2-2.400111.9S486 S487 Q488 E492 S493 E494S486-Q490 WeakPolarHBondContact O-CG 3.07Å; S486-Q490 PolarHBondContact O-N 3.19Å; S487-Q490 PolarHBondContact O-N 3.42Å; Q488-Q490 PolarHBondContact O-N 3.43Å; Q490-E492 PolarHBondContact O-N 3.36Å; Q490-S493 WeakPolarHBondContact O-CB 3.28Å; Q490-S493 PolarHBondContact O-N 3.22Å; Q490-E494 WeakPolarHBondContact O-CG 3.48Å; Q490-E494 PolarHBondContact O-N 3.22Å
491Q95Very high94Very high127 Ų12792 Ų9259%0.59348%0.477SS*.Hα-helixtrans-61.9-41.4176.8-69.3174.94.500112.3S487 Q488 E494 S495S487-Q491 WeakPolarHBondContact O-CG 3.29Å; S487-Q491 PolarHBondContact O-N 3.1Å; Q488-Q491 PolarHBondContact O-N 3.21Å; Q488-Q491 VanDerWaalsContact O-N 3.1Å; Q491-E494 PolarHBondContact O-N 3.47Å; Q491-S495 WeakPolarHBondContact O-CB 3.4Å; Q491-S495 PolarHBondContact O-N 3.44Å
492E94.6Very high94.1Very high81 Ų8195.2 Ų95.238%0.37949%0.488SS..Hα-helixtrans-63-44.9175.7-73.4178.1-16600111.4Q488 Q490 S495 L496Q488-E492 HydrophobicContact CG-CG 4.45Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.43Å; Q488-E492 PolarHBondContact NE2-OE1 3.47Å; Q488-E492 WeakPolarHBondContact O-CG 3.45Å; Q488-E492 PolarHBondContact O-N 2.9Å; Q490-E492 PolarHBondContact O-N 3.36Å; E492-S495 PolarHBondContact O-N 2.83Å; E492-S495 PolarHBondContact O-OG 3.16Å; E492-L496 WeakPolarHBondContact O-CB 3.49Å; E492-L496 WeakPolarHBondContact O-CG 3.42Å; E492-L496 PolarHBondContact O-N 3.22Å
493S88.1Confident94.2Very high70 Ų7093.3 Ų93.349%0.4949%0.487SS..Hα-helixtrans-60-46.4175.6-174.30000112.5A489 Q490 S495 L496 Q497A489-S493 VanDerWaalsContact O-CB 3.22Å; A489-S493 WeakPolarHBondContact O-CB 3.19Å; A489-S493 PolarHBondContact O-N 3.49Å; Q490-S493 WeakPolarHBondContact O-CB 3.28Å; Q490-S493 PolarHBondContact O-N 3.22Å; S493-S495 VanDerWaalsContact C-N 3.34Å; S493-S495 PolarHBondContact O-N 3.03Å; S493-L496 PolarHBondContact O-N 3.37Å; S493-Q497 WeakPolarHBondContact O-CB 3.2Å; S493-Q497 PolarHBondContact O-N 3.49Å
494E95.5Very high94.4Very high141 Ų14188.4 Ų88.466%0.65948%0.476SS*.Hα-helixtrans-61.4-41.1174.7-72.6178.5-179.900111.7Q490 Q491 L496 Q497 A498Q490-E494 WeakPolarHBondContact O-CG 3.48Å; Q490-E494 PolarHBondContact O-N 3.22Å; Q491-E494 PolarHBondContact O-N 3.47Å; E494-L496 PolarHBondContact O-N 3.2Å; E494-Q497 PolarHBondContact O-N 2.84Å; E494-A498 WeakPolarHBondContact O-CB 3.26Å; E494-A498 PolarHBondContact O-N 3.37Å
495S95.2Very high94.5Very high50 Ų5091.2 Ų91.235%0.3548%0.481SS..Hα-helixtrans-64.9-38.7176.488.10000112.7Q491 E492 S493 A498 K499Q491-S495 WeakPolarHBondContact O-CB 3.4Å; Q491-S495 PolarHBondContact O-N 3.44Å; E492-S495 PolarHBondContact O-N 2.83Å; E492-S495 PolarHBondContact O-OG 3.16Å; S493-S495 VanDerWaalsContact C-N 3.34Å; S493-S495 PolarHBondContact O-N 3.03Å; S495-A498 PolarHBondContact O-N 2.96Å; S495-K499 VanDerWaalsContact O-CG 3.32Å; S495-K499 WeakPolarHBondContact O-CG 3.38Å; S495-K499 PolarHBondContact O-N 3.42Å
496L95.3Very high94.6Very high90 Ų9095.4 Ų95.447%0.47149%0.493SS..Hα-helixtrans-71-39.2177.2-74.2169.8000111E492 S493 E494 A498 K499 L500E492-L496 WeakPolarHBondContact O-CB 3.49Å; E492-L496 WeakPolarHBondContact O-CG 3.42Å; E492-L496 PolarHBondContact O-N 3.22Å; S493-L496 PolarHBondContact O-N 3.37Å; E494-L496 PolarHBondContact O-N 3.2Å; L496-A498 VanDerWaalsContact C-N 3.34Å; L496-A498 PolarHBondContact O-N 2.84Å; L496-K499 HydrophobicContact CD2-CD 4.49Å; L496-K499 PolarHBondContact O-N 2.89Å; L496-L500 WeakPolarHBondContact O-CB 3.11Å; L496-L500 PolarHBondContact O-N 3.32Å
497Q95.5Very high95Very high104 Ų10497.2 Ų97.249%0.48650%0.498SS..Hα-helixtrans-63.1-40.4173.8-17262.353.500111.4S493 E494 L500 N501S493-Q497 WeakPolarHBondContact O-CB 3.2Å; S493-Q497 PolarHBondContact O-N 3.49Å; E494-Q497 PolarHBondContact O-N 2.84Å; Q497-L500 PolarHBondContact O-N 2.88Å; Q497-N501 PolarHBondContact NE2-OD1 3.17Å; Q497-N501 WeakPolarHBondContact O-CB 3.28Å; Q497-N501 PolarHBondContact O-N 3.49Å; Q497-N501 PolarHBondContact O-ND2 2.87Å
498A96.2Very high95Very high57 Ų57100.3 Ų100.347%0.47151%0.506SS..Hα-helixtrans-63.5-46.5173.600000112.1E494 S495 L496 L500 N501 Q502E494-A498 WeakPolarHBondContact O-CB 3.26Å; E494-A498 PolarHBondContact O-N 3.37Å; S495-A498 PolarHBondContact O-N 2.96Å; L496-A498 VanDerWaalsContact C-N 3.34Å; L496-A498 PolarHBondContact O-N 2.84Å; A498-L500 PolarHBondContact O-N 3.26Å; A498-N501 PolarHBondContact O-N 3.23Å; A498-Q502 WeakPolarHBondContact O-CB 3.33Å; A498-Q502 PolarHBondContact O-N 2.88Å
499K97.1Very high95.1Very high115 Ų11598.1 Ų98.150%0.551%0.507SS..Hα-helixtrans-59.9-43.1174.8-74168.1-179.5171.40112.2S495 L496 Q502 L503S495-K499 VanDerWaalsContact O-CG 3.32Å; S495-K499 WeakPolarHBondContact O-CG 3.38Å; S495-K499 PolarHBondContact O-N 3.42Å; L496-K499 HydrophobicContact CD2-CD 4.49Å; L496-K499 PolarHBondContact O-N 2.89Å; K499-Q502 PolarHBondContact O-N 3.37Å; K499-L503 WeakPolarHBondContact O-CB 3.42Å; K499-L503 WeakPolarHBondContact O-CG 3.46Å; K499-L503 PolarHBondContact O-N 2.8Å
500L95.6Very high95.3Very high96 Ų96100.6 Ų100.650%0.50351%0.514SS..Hα-helixtrans-64.1-41.9177.6-178.8142.2000111.7L496 Q497 A498 T504L496-L500 WeakPolarHBondContact O-CB 3.11Å; L496-L500 PolarHBondContact O-N 3.32Å; Q497-L500 PolarHBondContact O-N 2.88Å; A498-L500 PolarHBondContact O-N 3.26Å; L500-T504 VanDerWaalsContact O-CB 3.28Å; L500-T504 WeakPolarHBondContact O-CB 3.1Å; L500-T504 PolarHBondContact O-N 3Å; L500-T504 PolarHBondContact O-OG1 3.43Å
501N95.7Very high95.4Very high76 Ų76103.6 Ų103.641%0.40652%0.521SS..Hα-helixtrans-62.5-44.1174.1-72.1-17.7000111.3Q497 A498 T504 Q505Q497-N501 PolarHBondContact NE2-OD1 3.17Å; Q497-N501 WeakPolarHBondContact O-CB 3.28Å; Q497-N501 PolarHBondContact O-N 3.49Å; Q497-N501 PolarHBondContact O-ND2 2.87Å; A498-N501 PolarHBondContact O-N 3.23Å; N501-T504 PolarHBondContact O-N 3.43Å; N501-Q505 WeakPolarHBondContact O-CG 3.5Å; N501-Q505 PolarHBondContact O-N 3.47Å
502Q95.9Very high95.4Very high136 Ų136100.2 Ų100.264%0.63652%0.515SS*.Hα-helixtrans-62.4-46.6177.4-172-17415.200112.3A498 K499 Q505 R506A498-Q502 WeakPolarHBondContact O-CB 3.33Å; A498-Q502 PolarHBondContact O-N 2.88Å; K499-Q502 PolarHBondContact O-N 3.37Å; Q502-Q505 PolarHBondContact O-N 3.18Å; Q502-R506 WeakPolarHBondContact O-CB 3.18Å; Q502-R506 PolarHBondContact O-N 3.25Å
503L95.5Very high95.4Very high114 Ų114100 Ų10060%0.59752%0.522SS*.Hα-helixtrans-64.8-39.2176.8-73.3171.8000111.8K499 R506 L507K499-L503 WeakPolarHBondContact O-CB 3.42Å; K499-L503 WeakPolarHBondContact O-CG 3.46Å; K499-L503 PolarHBondContact O-N 2.8Å; L503-R506 PolarHBondContact O-N 2.84Å; L503-L507 WeakPolarHBondContact O-CB 3.46Å; L503-L507 PolarHBondContact O-N 2.88Å
504T96.8Very high95.7Very high63 Ų63101.1 Ų101.139%0.38752%0.523SS..Hα-helixtrans-64-44.3176.6-59.20000111.4L500 N501 L507 Q508L500-T504 VanDerWaalsContact O-CB 3.28Å; L500-T504 WeakPolarHBondContact O-CB 3.1Å; L500-T504 PolarHBondContact O-N 3Å; L500-T504 PolarHBondContact O-OG1 3.43Å; N501-T504 PolarHBondContact O-N 3.43Å; T504-L507 PolarHBondContact O-N 3.05Å; T504-Q508 WeakPolarHBondContact O-CG 3.37Å; T504-Q508 PolarHBondContact O-N 3.49Å
505Q95.9Very high95.7Very high130 Ų130100.1 Ų100.161%0.60752%0.518SS*.Hα-helixtrans-62.7-43174.6-72174.326.900111.7N501 Q502 L507 Q508 A509N501-Q505 WeakPolarHBondContact O-CG 3.5Å; N501-Q505 PolarHBondContact O-N 3.47Å; Q502-Q505 PolarHBondContact O-N 3.18Å; Q505-L507 VanDerWaalsContact C-N 3.35Å; Q505-L507 PolarHBondContact O-N 3.17Å; Q505-Q508 PolarHBondContact O-N 2.96Å; Q505-A509 WeakPolarHBondContact O-CB 3.33Å; Q505-A509 PolarHBondContact O-N 3.47Å
506R95.5Very high95.7Very high195 Ų19599.9 Ų99.974%0.73652%0.519SS*.Hα-helixtrans-61.7-41.6176.4-171.1173.2-177.2159.50.3112Q502 L503 A509 D510Q502-R506 WeakPolarHBondContact O-CB 3.18Å; Q502-R506 PolarHBondContact O-N 3.25Å; L503-R506 PolarHBondContact O-N 2.84Å; R506-A509 PolarHBondContact O-N 3.02Å; R506-D510 WeakPolarHBondContact O-CB 3.31Å; R506-D510 PolarHBondContact O-N 3.43Å
507L96.9Very high95.6Very high89 Ų8998.1 Ų98.147%0.46652%0.517SS..Hα-helixtrans-67.1-37.4176.5-175.2150.8000112.4L503 T504 Q505 R511L503-L507 WeakPolarHBondContact O-CB 3.46Å; L503-L507 PolarHBondContact O-N 2.88Å; T504-L507 PolarHBondContact O-N 3.05Å; Q505-L507 VanDerWaalsContact C-N 3.35Å; Q505-L507 PolarHBondContact O-N 3.17Å; L507-R511 HydrophobicContact CD2-CG 4.43Å; L507-R511 WeakPolarHBondContact O-CB 3.28Å; L507-R511 WeakPolarHBondContact O-CG 3.42Å; L507-R511 PolarHBondContact O-N 3.42Å
508Q94.6Very high95.6Very high121 Ų12199.2 Ų99.257%0.56552%0.522SS*.Hα-helixtrans-66.1-43173.4-74.5177.9-900112T504 Q505 R511 A512T504-Q508 WeakPolarHBondContact O-CG 3.37Å; T504-Q508 PolarHBondContact O-N 3.49Å; Q505-Q508 PolarHBondContact O-N 2.96Å; Q508-R511 PolarHBondContact O-N 3.27Å; Q508-A512 PolarHBondContact O-N 3.4Å; Q508-A512 VanDerWaalsContact O-N 3.1Å
509A95.5Very high95.6Very high64 Ų64103 Ų10353%0.52953%0.528SS..Hα-helixtrans-62.9-41.7175.400000112Q505 R506 A512 S513Q505-A509 WeakPolarHBondContact O-CB 3.33Å; Q505-A509 PolarHBondContact O-N 3.47Å; R506-A509 PolarHBondContact O-N 3.02Å; A509-A512 PolarHBondContact O-N 2.88Å; A509-S513 WeakPolarHBondContact O-CB 3.45Å; A509-S513 PolarHBondContact O-N 3.04Å
510D96.2Very high95.4Very high93 Ų93104.9 Ų104.950%0.49753%0.532SS..Hα-helixtrans-66.9-41.3178-16654000112.2R506 A512 S513 L514R506-D510 WeakPolarHBondContact O-CB 3.31Å; R506-D510 PolarHBondContact O-N 3.43Å; D510-A512 VanDerWaalsContact C-N 3.34Å; D510-A512 PolarHBondContact O-N 3.24Å; D510-S513 WeakPolarHBondContact O-CB 3.35Å; D510-S513 PolarHBondContact O-N 3.13Å; D510-S513 VanDerWaalsContact O-N 3.14Å; D510-L514 WeakPolarHBondContact O-CG 3.31Å; D510-L514 PolarHBondContact O-N 3.09Å
511R96.1Very high95.2Very high163 Ų163104.3 Ų104.362%0.61553%0.529SS*.Hα-helixtrans-57.7-43.1171.2-80.1-179172.3162.3-0112.8L507 Q508 S513 L514 Q515L507-R511 HydrophobicContact CD2-CG 4.43Å; L507-R511 WeakPolarHBondContact O-CB 3.28Å; L507-R511 WeakPolarHBondContact O-CG 3.42Å; L507-R511 PolarHBondContact O-N 3.42Å; Q508-R511 PolarHBondContact O-N 3.27Å; R511-S513 VanDerWaalsContact C-N 3.34Å; R511-L514 PolarHBondContact O-N 3.4Å; R511-Q515 WeakPolarHBondContact O-CG 3.49Å; R511-Q515 PolarHBondContact O-N 3.39Å
512A95.4Very high95Very high57 Ų57103.7 Ų103.747%0.47153%0.528SS..Hα-helixtrans-66.5-36.9176.200000112.2Q508 A509 D510 A516Q508-A512 PolarHBondContact O-N 3.4Å; Q508-A512 VanDerWaalsContact O-N 3.1Å; A509-A512 PolarHBondContact O-N 2.88Å; D510-A512 VanDerWaalsContact C-N 3.34Å; D510-A512 PolarHBondContact O-N 3.24Å; A512-A516 PolarHBondContact O-N 3.4Å; A512-A516 VanDerWaalsContact O-N 3.13Å
513S95.8Very high94.9Very high75 Ų75102.2 Ų102.252%0.52452%0.521SS..Hα-helixtrans-62.9-48.4174.4-1710000111.9A509 D510 R511 A516 A517A509-S513 WeakPolarHBondContact O-CB 3.45Å; A509-S513 PolarHBondContact O-N 3.04Å; D510-S513 WeakPolarHBondContact O-CB 3.35Å; D510-S513 PolarHBondContact O-N 3.13Å; D510-S513 VanDerWaalsContact O-N 3.14Å; R511-S513 VanDerWaalsContact C-N 3.34Å; S513-A516 WeakPolarHBondContact O-CB 3.42Å; S513-A516 PolarHBondContact O-N 2.93Å; S513-A517 PolarHBondContact O-N 3.46Å
514L94.1Very high94.6Very high95 Ų95102.1 Ų102.150%0.49752%0.518SS..Hα-helixtrans-60.4-47176.9-73.8169.4000111.7D510 R511 A516 A517 E518D510-L514 WeakPolarHBondContact O-CG 3.31Å; D510-L514 PolarHBondContact O-N 3.09Å; R511-L514 PolarHBondContact O-N 3.4Å; L514-A516 PolarHBondContact O-N 2.91Å; L514-A517 WeakPolarHBondContact O-CB 3.49Å; L514-A517 PolarHBondContact O-N 2.96Å; L514-E518 WeakPolarHBondContact O-CG 3.39Å; L514-E518 PolarHBondContact O-N 3.2Å
515Q95.2Very high94.5Very high120 Ų120106.7 Ų106.756%0.56153%0.528SS*.Hα-helixtrans-60.5-32.4176.1-74.5-178.9-13.400113.2R511 K519R511-Q515 WeakPolarHBondContact O-CG 3.49Å; R511-Q515 PolarHBondContact O-N 3.39Å; Q515-K519 WeakPolarHBondContact O-CG 3.35Å; Q515-K519 PolarHBondContact O-N 3.21Å
516A94.6Very high94.3Very high45 Ų45107.3 Ų107.337%0.37253%0.529SS..Hα-helixtrans-72.8-37.1174.200000112.2A512 S513 L514 R520A512-A516 PolarHBondContact O-N 3.4Å; A512-A516 VanDerWaalsContact O-N 3.13Å; S513-A516 WeakPolarHBondContact O-CB 3.42Å; S513-A516 PolarHBondContact O-N 2.93Å; L514-A516 PolarHBondContact O-N 2.91Å; A516-R520 WeakPolarHBondContact O-CG 3.25Å; A516-R520 PolarHBondContact O-N 3.45Å
517A94.1Very high94.2Very high53 Ų53105.8 Ų105.844%0.43852%0.524SS..Hα-helixtrans-67.7-43.3174.800000112.1S513 L514 K519 R520 L521S513-A517 PolarHBondContact O-N 3.46Å; L514-A517 WeakPolarHBondContact O-CB 3.49Å; L514-A517 PolarHBondContact O-N 2.96Å; A517-K519 PolarHBondContact O-N 3.16Å; A517-R520 PolarHBondContact O-N 2.81Å; A517-L521 WeakPolarHBondContact O-CB 3.49Å; A517-L521 PolarHBondContact O-N 3.34Å
518E95.2Very high93.9Very high127 Ų127109.2 Ų109.259%0.59353%0.531SS*.Hα-helixtrans-59.2-45.2175.7-73.5-18015200111.9L514 R520 L521 T522L514-E518 WeakPolarHBondContact O-CG 3.39Å; L514-E518 PolarHBondContact O-N 3.2Å; E518-R520 PolarHBondContact O-N 2.88Å; E518-L521 PolarHBondContact O-N 3.28Å; E518-T522 WeakPolarHBondContact O-CG2 3.3Å; E518-T522 PolarHBondContact O-N 3.11Å
519K95.2Very high93.7Very high137 Ų137108.4 Ų108.460%0.59653%0.53SS*.Hα-helixtrans-57.4-50176.2-76.6175.8-179.2-179.60111.7Q515 A517 L521 T522 E523Q515-K519 WeakPolarHBondContact O-CG 3.35Å; Q515-K519 PolarHBondContact O-N 3.21Å; A517-K519 PolarHBondContact O-N 3.16Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.38Å; K519-T522 PolarHBondContact O-N 3.34Å; K519-T522 VanDerWaalsContact O-N 3.09Å; K519-T522 PolarHBondContact O-OG1 3.38Å; K519-E523 WeakPolarHBondContact O-CG 3.42Å; K519-E523 PolarHBondContact O-N 3.29Å
520R93.3Very high93.6Very high154 Ų154109.7 Ų109.758%0.58153%0.527SS*.Hα-helixtrans-57.6-42.3175.7-70.3175.3-177.9174.32.5112.2A516 A517 E518 T522 E523 E524A516-R520 WeakPolarHBondContact O-CG 3.25Å; A516-R520 PolarHBondContact O-N 3.45Å; A517-R520 PolarHBondContact O-N 2.81Å; E518-R520 PolarHBondContact O-N 2.88Å; R520-T522 VanDerWaalsContact C-N 3.34Å; R520-T522 PolarHBondContact O-N 3.46Å; R520-E523 WeakPolarHBondContact O-CB 3.41Å; R520-E523 PolarHBondContact O-N 3.45Å; R520-E524 PolarHBondContact O-N 3.42Å
521L91.2Very high93.2Very high83 Ų83110.2 Ų110.244%0.43553%0.529SS..Hα-helixtrans-63.8-38.1177.5-163157.2000111.6A517 E518 K519 R525A517-L521 WeakPolarHBondContact O-CB 3.49Å; A517-L521 PolarHBondContact O-N 3.34Å; E518-L521 PolarHBondContact O-N 3.28Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.38Å; L521-R525 HydrophobicContact CD2-CG 4.22Å; L521-R525 VanDerWaalsContact CD2-NE 3.27Å; L521-R525 WeakPolarHBondContact O-CB 3.45Å; L521-R525 WeakPolarHBondContact O-CG 3.47Å; L521-R525 PolarHBondContact O-N 2.71Å
522T92.3Very high92.9Very high63 Ų63107.2 Ų107.239%0.38752%0.523SS..Hα-helixtrans-69.5-3317366.60000113.4E518 K519 R520 K526E518-T522 WeakPolarHBondContact O-CG2 3.3Å; E518-T522 PolarHBondContact O-N 3.11Å; K519-T522 PolarHBondContact O-N 3.34Å; K519-T522 VanDerWaalsContact O-N 3.09Å; K519-T522 PolarHBondContact O-OG1 3.38Å; R520-T522 VanDerWaalsContact C-N 3.34Å; R520-T522 PolarHBondContact O-N 3.46Å; T522-K526 VanDerWaalsContact O-CG 3.31Å; T522-K526 WeakPolarHBondContact O-CG 3.46Å; T522-K526 PolarHBondContact O-N 3.1Å; T522-K526 VanDerWaalsContact O-N 3.11Å
523E92.7Very high92.5Very high105 Ų105110.5 Ų110.549%0.49153%0.528SS..Hα-helixtrans-67.4-48.1174.1-71.6163.8-168.100110.6K519 R520 R525 K526 Y527K519-E523 WeakPolarHBondContact O-CG 3.42Å; K519-E523 PolarHBondContact O-N 3.29Å; R520-E523 WeakPolarHBondContact O-CB 3.41Å; R520-E523 PolarHBondContact O-N 3.45Å; E523-R525 VanDerWaalsContact C-N 3.34Å; E523-R525 PolarHBondContact O-N 3.29Å; E523-K526 WeakPolarHBondContact O-CB 3.46Å; E523-K526 PolarHBondContact O-N 2.97Å; E523-K526 VanDerWaalsContact O-N 3.11Å; E523-Y527 VanDerWaalsContact O-CD2 3.32Å; E523-Y527 WeakPolarHBondContact O-CD2 3.32Å; E523-Y527 PolarHBondContact O-N 3.45Å
524E90.2Very high92.1Very high113 Ų113111.6 Ų111.653%0.52853%0.525SS..Hα-helixtrans-58.9-41.7173.9-75.9-172.2-160.300112.6R520 K526 Y527 R528R520-E524 PolarHBondContact O-N 3.42Å; E524-K526 VanDerWaalsContact C-N 3.33Å; E524-K526 PolarHBondContact O-N 3.14Å; E524-Y527 PolarHBondContact O-N 2.83Å; E524-R528 WeakPolarHBondContact O-CB 3.5Å; E524-R528 WeakPolarHBondContact O-CG 3.46Å; E524-R528 PolarHBondContact O-N 3.34Å
525R93.6Very high91.6Very high159 Ų159114 Ų11460%0.653%0.532SS*.Hα-helixtrans-60.1-40.7174.1-78.4178.5178.8167.44112.2L521 E523 R528 L529L521-R525 HydrophobicContact CD2-CG 4.22Å; L521-R525 VanDerWaalsContact CD2-NE 3.27Å; L521-R525 WeakPolarHBondContact O-CB 3.45Å; L521-R525 WeakPolarHBondContact O-CG 3.47Å; L521-R525 PolarHBondContact O-N 2.71Å; E523-R525 VanDerWaalsContact C-N 3.34Å; E523-R525 PolarHBondContact O-N 3.29Å; R525-R528 PolarHBondContact O-N 2.88Å; R525-L529 WeakPolarHBondContact O-CG 3.46Å; R525-L529 PolarHBondContact O-N 3.49Å
526K93.5Very high90.9Very high143 Ų143115.3 Ų115.362%0.62254%0.536SS*.Hα-helixtrans-65.1-44.7175.8-72.2167.9-177.6176.30111.6T522 E523 E524 L529 L530T522-K526 VanDerWaalsContact O-CG 3.31Å; T522-K526 WeakPolarHBondContact O-CG 3.46Å; T522-K526 PolarHBondContact O-N 3.1Å; T522-K526 VanDerWaalsContact O-N 3.11Å; E523-K526 WeakPolarHBondContact O-CB 3.46Å; E523-K526 PolarHBondContact O-N 2.97Å; E523-K526 VanDerWaalsContact O-N 3.11Å; E524-K526 VanDerWaalsContact C-N 3.33Å; E524-K526 PolarHBondContact O-N 3.14Å; K526-L529 PolarHBondContact O-N 3.25Å; K526-L530 WeakPolarHBondContact O-CB 3.48Å; K526-L530 PolarHBondContact O-N 3.48Å
527Y92.1Very high90.2Very high163 Ų163118.9 Ų118.964%0.63954%0.544SS*.Hα-helixtrans-62.8-41.4176-83.8-71.3000112.4E523 E524 L530 L531E523-Y527 VanDerWaalsContact O-CD2 3.32Å; E523-Y527 WeakPolarHBondContact O-CD2 3.32Å; E523-Y527 PolarHBondContact O-N 3.45Å; E524-Y527 PolarHBondContact O-N 2.83Å; Y527-L530 PolarHBondContact O-N 3.04Å; Y527-L531 WeakPolarHBondContact O-CG 3.31Å; Y527-L531 PolarHBondContact O-N 3.27Å
528R90.5Very high89.4Confident161 Ų161122.3 Ų122.361%0.60855%0.551SS**Hα-helixtrans-60.9-49.1174.5-73.8-179.9-173-131.64.4112.1E524 R525 L530 L531 E532E524-R528 WeakPolarHBondContact O-CB 3.5Å; E524-R528 WeakPolarHBondContact O-CG 3.46Å; E524-R528 PolarHBondContact O-N 3.34Å; R525-R528 PolarHBondContact O-N 2.88Å; R528-L530 VanDerWaalsContact C-N 3.29Å; R528-L530 PolarHBondContact O-N 3.23Å; R528-L531 PolarHBondContact O-N 3.16Å; R528-E532 WeakPolarHBondContact O-CG 3.41Å; R528-E532 PolarHBondContact O-N 2.88Å
529L91.9Very high88.2Confident103 Ų103118.5 Ų118.554%0.53954%0.539SS..Hα-helixtrans-61.7-35.9178-73.2171.1000112.8R525 K526 Q533R525-L529 WeakPolarHBondContact O-CG 3.46Å; R525-L529 PolarHBondContact O-N 3.49Å; K526-L529 PolarHBondContact O-N 3.25Å; L529-Q533 WeakPolarHBondContact O-CG 3.23Å; L529-Q533 PolarHBondContact O-N 3.49Å
530L91.9Very high87Confident91 Ų91113.5 Ų113.548%0.47653%0.526SS..Hα-helixtrans-67.1-44.5175.8-170.3154.4000111.4K526 Y527 R528 Q533 Q534K526-L530 WeakPolarHBondContact O-CB 3.48Å; K526-L530 PolarHBondContact O-N 3.48Å; Y527-L530 PolarHBondContact O-N 3.04Å; R528-L530 VanDerWaalsContact C-N 3.29Å; R528-L530 PolarHBondContact O-N 3.23Å; L530-Q533 PolarHBondContact O-N 3.35Å; L530-Q534 HydrophobicContact CD2-CG 4.35Å; L530-Q534 PolarHBondContact O-N 3.31Å
531L89.4Confident85.5Confident104 Ų104113.2 Ų113.255%0.54553%0.529SS..Hα-helixtrans-64.3-40.2174.8-72.3168.2000112.1Y527 R528 Q533 Q534 F535Y527-L531 WeakPolarHBondContact O-CG 3.31Å; Y527-L531 PolarHBondContact O-N 3.27Å; R528-L531 PolarHBondContact O-N 3.16Å; L531-Q533 PolarHBondContact O-N 2.84Å; L531-Q534 PolarHBondContact O-N 3.25Å; L531-F535 WeakPolarHBondContact O-CB 3.27Å; L531-F535 PolarHBondContact O-N 2.84Å
532E89Confident84Confident101 Ų101115.9 Ų115.947%0.47254%0.539SS..Hα-helixtrans-63.3-37.9174.4-76.2176-155.700112.5R528 K536R528-E532 WeakPolarHBondContact O-CG 3.41Å; R528-E532 PolarHBondContact O-N 2.88Å; E532-K536 WeakPolarHBondContact O-CB 3.46Å; E532-K536 WeakPolarHBondContact O-CG 3.03Å; E532-K536 PolarHBondContact O-N 2.92Å
533Q87.7Confident82.5Confident126 Ų126118.1 Ų118.159%0.58955%0.548SS*.Hα-helixtrans-65.9-44.2172.8-77.1-173.416.100112L529 L530 L531 F535 K536 Q537L529-Q533 WeakPolarHBondContact O-CG 3.23Å; L529-Q533 PolarHBondContact O-N 3.49Å; L530-Q533 PolarHBondContact O-N 3.35Å; L531-Q533 PolarHBondContact O-N 2.84Å; Q533-F535 VanDerWaalsContact C-N 3.34Å; Q533-F535 PolarHBondContact O-N 3.11Å; Q533-K536 PolarHBondContact O-N 2.97Å; Q533-Q537 WeakPolarHBondContact O-CG 3.42Å; Q533-Q537 PolarHBondContact O-N 3.32Å
534Q86.8Confident80.8Confident97 Ų97119.7 Ų119.745%0.45356%0.555SS.*Hα-helixtrans-61.5-42.1175.7-73.8-175.1-17.100111.7L530 L531 Q537 Q538L530-Q534 HydrophobicContact CD2-CG 4.35Å; L530-Q534 PolarHBondContact O-N 3.31Å; L531-Q534 PolarHBondContact O-N 3.25Å; Q534-Q537 PolarHBondContact O-N 2.96Å; Q534-Q538 WeakPolarHBondContact O-CG 3.44Å; Q534-Q538 PolarHBondContact O-N 3.49Å
535F83.5Confident79.2Confident147 Ų147117 Ų11765%0.64555%0.552SS**Hα-helixtrans-63.6-43.5176.5-169.4-96000112L531 Q533 Q537 Q538 S539L531-F535 WeakPolarHBondContact O-CB 3.27Å; L531-F535 PolarHBondContact O-N 2.84Å; Q533-F535 VanDerWaalsContact C-N 3.34Å; Q533-F535 PolarHBondContact O-N 3.11Å; F535-Q537 VanDerWaalsContact C-N 3.33Å; F535-Q537 PolarHBondContact O-N 2.96Å; F535-Q538 PolarHBondContact O-N 3.18Å; F535-S539 WeakPolarHBondContact O-CB 3.45Å; F535-S539 PolarHBondContact O-N 3.05Å
536K81.3Confident77.5Confident147 Ų147113 Ų11364%0.63955%0.549SS*.Hα-helixtrans-61.7-38.1174.4-75.9173.4-179.7174.20112.6E532 Q533 G540E532-K536 WeakPolarHBondContact O-CB 3.46Å; E532-K536 WeakPolarHBondContact O-CG 3.03Å; E532-K536 PolarHBondContact O-N 2.92Å; Q533-K536 PolarHBondContact O-N 2.97Å; K536-G540 PolarHBondContact O-N 2.94Å
537Q79.2Confident75.7Confident119 Ų119110.1 Ų110.156%0.55655%0.546SS*.Hα-helixtrans-67.4-37.2175.1-71.1174.121.600112.7Q533 Q534 F535 K541Q533-Q537 WeakPolarHBondContact O-CG 3.42Å; Q533-Q537 PolarHBondContact O-N 3.32Å; Q534-Q537 PolarHBondContact O-N 2.96Å; F535-Q537 VanDerWaalsContact C-N 3.33Å; F535-Q537 PolarHBondContact O-N 2.96Å; Q537-K541 VanDerWaalsContact O-CG 3.27Å; Q537-K541 WeakPolarHBondContact O-CG 3.29Å; Q537-K541 PolarHBondContact O-N 2.87Å
538Q76.8Confident73.9Confident125 Ų125106.8 Ų106.858%0.58455%0.547SS*.Hα-helixtrans-73.3-43.9176.3-70.1-176.513.100112.1Q534 F535 K541 Q542Q534-Q538 WeakPolarHBondContact O-CG 3.44Å; Q534-Q538 PolarHBondContact O-N 3.49Å; F535-Q538 PolarHBondContact O-N 3.18Å; Q538-K541 PolarHBondContact O-N 3.46Å; Q538-Q542 PolarHBondContact O-N 3.42Å
539S71.1Confident72Confident47 Ų47107 Ų10733%0.32956%0.555SS.*Hα-helixtrans-64.2-41.9176.9176.60000111.8F535 K541 Q542 I543F535-S539 WeakPolarHBondContact O-CB 3.45Å; F535-S539 PolarHBondContact O-N 3.05Å; S539-K541 PolarHBondContact O-N 2.9Å; S539-Q542 PolarHBondContact O-N 3.44Å; S539-I543 VanDerWaalsContact O-CG1 3.32Å; S539-I543 WeakPolarHBondContact O-CG1 3.37Å; S539-I543 PolarHBondContact O-N 3.21Å
540G69.1Low70Confident32 Ų32106.6 Ų106.633%0.3356%0.56SS.*Hα-helixtrans-57.8-46.5172.700000112.6K536 Q542 I543 E544K536-G540 PolarHBondContact O-N 2.94Å; G540-Q542 VanDerWaalsContact C-N 3.33Å; G540-Q542 PolarHBondContact O-N 3.28Å; G540-I543 PolarHBondContact O-N 2.98Å; G540-E544 WeakPolarHBondContact O-CB 3.49Å; G540-E544 PolarHBondContact O-N 3.42Å
541K62.2Low67.9Low148 Ų148108.8 Ų108.864%0.64358%0.578SS**Hα-helixtrans-63-34.4176.6-74.3174.2179.9-175.30113.6Q537 Q538 S539 A545Q537-K541 VanDerWaalsContact O-CG 3.27Å; Q537-K541 WeakPolarHBondContact O-CG 3.29Å; Q537-K541 PolarHBondContact O-N 2.87Å; Q538-K541 PolarHBondContact O-N 3.46Å; S539-K541 PolarHBondContact O-N 2.9Å; K541-A545 WeakPolarHBondContact O-CB 3.38Å; K541-A545 PolarHBondContact O-N 3.37Å; K541-A545 VanDerWaalsContact O-N 3.11Å
542Q59.9Low65.8Low140 Ų140107.9 Ų107.965%0.65458%0.58SS**Hα-helixtrans-71-39.3173.7-74.3-1741200112.4Q538 S539 G540 S546Q538-Q542 PolarHBondContact O-N 3.42Å; S539-Q542 PolarHBondContact O-N 3.44Å; G540-Q542 VanDerWaalsContact C-N 3.33Å; G540-Q542 PolarHBondContact O-N 3.28Å; Q542-S546 WeakPolarHBondContact O-CB 3.44Å; Q542-S546 PolarHBondContact O-N 2.86Å; Q542-S546 PolarHBondContact O-OG 3.37Å
543I60.1Low63.8Low109 Ų109110.5 Ų110.556%0.55960%0.598SS**Hα-helixtrans-65.9-42177.5-66.8163.7000110.6S539 G540 S546 S547S539-I543 VanDerWaalsContact O-CG1 3.32Å; S539-I543 WeakPolarHBondContact O-CG1 3.37Å; S539-I543 PolarHBondContact O-N 3.21Å; G540-I543 PolarHBondContact O-N 2.98Å; I543-S546 PolarHBondContact O-N 3.45Å; I543-S547 PolarHBondContact O-N 3.16Å; I543-S547 PolarHBondContact O-OG 3.25Å
544E56.9Low61.8Low139 Ų139113.3 Ų113.365%0.6561%0.61SS**Hα-helixtrans-69.1-36.9-179.9-158.5164.4-143.200112G540 S547 S548G540-E544 WeakPolarHBondContact O-CB 3.49Å; G540-E544 PolarHBondContact O-N 3.42Å; E544-S547 WeakPolarHBondContact CA-OG 3.47Å; E544-S547 PolarHBondContact O-OG 2.69Å; E544-S548 PolarHBondContact O-N 3.03Å; E544-S548 PolarHBondContact O-OG 3.13Å; E544-S548 VanDerWaalsContact O-OG 3.08Å
545A57.6Low59.9Low56 Ų56113.2 Ų113.246%0.46362%0.619SS.*Hα-helixtrans-63.3-43.4168.500000112.3K541 S547 S548K541-A545 WeakPolarHBondContact O-CB 3.38Å; K541-A545 PolarHBondContact O-N 3.37Å; K541-A545 VanDerWaalsContact O-N 3.11Å; A545-S547 PolarHBondContact O-N 2.93Å; A545-S548 PolarHBondContact O-N 3.33Å; A545-S548 PolarHBondContact O-OG 2.85Å
546S56.8Low58.4Low75 Ų75112.9 Ų112.952%0.52463%0.628SS.*Hα-helixtrans-67.2-35.2179.2-540000112.5Q542 I543 S548 E549 S550Q542-S546 WeakPolarHBondContact O-CB 3.44Å; Q542-S546 PolarHBondContact O-N 2.86Å; Q542-S546 PolarHBondContact O-OG 3.37Å; I543-S546 PolarHBondContact O-N 3.45Å; S546-S548 VanDerWaalsContact C-N 3.28Å; S546-S548 PolarHBondContact O-N 3.28Å; S546-E549 PolarHBondContact O-N 3Å; S546-S550 PolarHBondContact O-OG 3.41Å; S546-S550 VanDerWaalsContact O-OG 3.04Å
547S55.5Low56.9Low82 Ų82113.1 Ų113.157%0.57364%0.635SS**Hα-helixtrans-72.6-16.5-179.663.80000114.7I543 E544 A545I543-S547 PolarHBondContact O-N 3.16Å; I543-S547 PolarHBondContact O-OG 3.25Å; E544-S547 WeakPolarHBondContact CA-OG 3.47Å; E544-S547 PolarHBondContact O-OG 2.69Å; A545-S547 PolarHBondContact O-N 2.93Å
548S54.1Low55.7Low93 Ų93113.1 Ų113.165%0.6565%0.648SS**Hα-helixtrans-92.4-8.6178.740.80000114E544 A545 S546E544-S548 PolarHBondContact O-N 3.03Å; E544-S548 PolarHBondContact O-OG 3.13Å; E544-S548 VanDerWaalsContact O-OG 3.08Å; A545-S548 PolarHBondContact O-N 3.33Å; A545-S548 PolarHBondContact O-OG 2.85Å; S546-S548 VanDerWaalsContact C-N 3.28Å; S546-S548 PolarHBondContact O-N 3.28Å
549E51.8Low54.3Low167 Ų167116.2 Ų116.278%0.7866%0.659SS**SBendtrans-104.93.8-179.2-156.6161.6-163.400113.2S546 T551S546-E549 PolarHBondContact O-N 3Å; E549-T551 PolarHBondContact O-N 2.94Å
550S49.5Very low53.4Low93 Ų93121 Ų12165%0.6569%0.687SS**  trans-89.17.4-169.4-62.40000116.1S546S546-S550 PolarHBondContact O-OG 3.41Å; S546-S550 VanDerWaalsContact O-OG 3.04Å
551T47Very low52.6Low138 Ų138125.5 Ų125.585%0.84771%0.708SS**SBendtrans-10346.1-177.645.80000114.4E549E549-T551 PolarHBondContact O-N 2.94Å
552S45.1Very low52.4Low85 Ų85126.6 Ų126.659%0.59472%0.721SS**SBendtrans-153.1140.9154.464.70000112.5
553N48.2Very low52.4Low156 Ų156125.7 Ų125.783%0.83473%0.73SS**  trans79.183.4166.5-41.6-47.7000118.2
554E46.1Very low51.9Low184 Ų184133.7 Ų133.786%0.8676%0.761SS**  trans-87.2169.5142.9-122.9-164.9100.400109
555P47.1Very low51.7Low96 Ų96133.5 Ų133.562%0.62377%0.766SS**  cis-129.3-179.5-16.927.9-6.5000113.2
556V50.6Low51.3Low139 Ų139137.5 Ų137.584%0.84278%0.782SS**  -178.3140.8122.4148.20000110.7
557I49.9Very low51Low153 Ų153141 Ų14179%0.78580%0.797SS**  trans-85.4137.1-171.2-64.5157.2000111.9
558S54.1Low50.8Low118 Ų118144.5 Ų144.583%0.82581%0.81SS**  trans-158.9138.5141.913.70000111.7
559K47.2Very low50.6Low191 Ų191147.7 Ų147.783%0.8382%0.82SS**  trans-93.8138.9-179.7-59.8169.5178.5174.60109.9
560T52.9Low50.5Low148 Ų148146.4 Ų146.491%0.90882%0.822SS**  trans-154.7120.81409.10000110.2
561T52.5Low50.6Low126 Ų126150.2 Ų150.277%0.77384%0.835SS**  trans-79.7142.5163.345.80000109.4
562D57.6Low50.8Low170 Ų170151.2 Ų151.291%0.90983%0.834SS**  trans-158.4148.8138.6-109.8-33.9000112.4
563S60.7Low51.3Low121 Ų121156.7 Ų156.785%0.84685%0.854SS**  trans-92.6144.9-170.4-61.80000113.3
564K49Very low51.6Low278 Ų278156.7 Ų156.7100%1.20986%0.856SS**  trans-152.80133.1-158.1165.9-174174.10112

Retrieved 564 of 564 residues in 255.9 ms (Link to these results)