A0A087XJM5_POEFO Loading...

COMM domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A087XJM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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
1M72.4Confident88.9Confident57 Ų5768 Ų6828%0.28135%0.348SS..  0119.70-75.2179.7-85.900107.1E72 A73 H76 A78 T82M1-E72 HydrophobicContact CB-CG 4.25Å; M1-E72 HydrophobicContact CG-CG 4.08Å; M1-E72 HydrophobicContact SD-CB 4.5Å; M1-E72 HydrophobicContact SD-CG 4.09Å; M1-A73 HydrophobicContact CE-CB 4.49Å; M1-A73 VanDerWaalsContact SD-CA 3.54Å; M1-A73 HydrophobicContact SD-CB 4.15Å; M1-H76 HydrophobicContact CG-CB 4.17Å; M1-H76 HydrophobicContact SD-CB 4.49Å; M1-A78 HydrophobicContact CE-CB 3.56Å; M1-A78 HydrophobicContact SD-CB 4.26Å; M1-T82 HydrophobicContact CE-CG2 3.62Å
2E77.5Confident89.2Confident191 Ų19169.3 Ų69.389%0.89335%0.351SS*.  trans-93.9109.6178.2-68.4-172.1170.400109.4
3L88.7Confident89.3Confident23 Ų2367.8 Ų67.812%0.1234%0.344CS..  trans-94.4134.9178.3-59.2174.1000109.8V7 Q8 L11 F69 E72 L90L3-V7 HydrophobicContact CB-CB 4.48Å; L3-V7 HydrophobicContact CB-CG1 4.27Å; L3-V7 HydrophobicContact CD1-CG1 4.44Å; L3-V7 HydrophobicContact CD2-CG1 4.17Å; L3-Q8 HydrophobicContact CB-CG 3.84Å; L3-Q8 PolarHBondContact O-NE2 3.41Å; L3-L11 HydrophobicContact CD1-CD1 3.81Å; L3-F69 HydrophobicContact CD1-CD2 3.63Å; L3-F69 HydrophobicContact CD1-CE2 3.98Å; L3-F69 HydrophobicContact CD2-CD2 4Å; L3-F69 HydrophobicContact CG-CD2 4.41Å; L3-E72 HydrophobicContact CD2-CG 4.41Å; L3-L90 HydrophobicContact CD1-CD1 4.31Å
4S92.4Very high89.3Confident63 Ų6362.9 Ų62.944%0.44132%0.319SS..  trans-60.4152.6172.569.20000111.9S6 V7 Q8S4-S6 PolarHBondContact O-N 2.66Å; S4-S6 VanDerWaalsContact O-N 3.14Å; S4-S6 PolarHBondContact OG-OG 3.41Å; S4-S6 VanDerWaalsContact OG-OG 3.13Å; S4-V7 WeakPolarHBondContact O-CB 3.24Å; S4-V7 PolarHBondContact O-N 2.78Å; S4-V7 VanDerWaalsContact OG-CG2 3.3Å; S4-V7 WeakPolarHBondContact OG-CG2 3.43Å; S4-Q8 WeakPolarHBondContact O-CG 3.15Å; S4-Q8 PolarHBondContact O-N 2.75Å
5E91.5Very high89.4Confident139 Ų13959.1 Ų59.165%0.6530%0.301SS*.Hα-helixtrans-56-33.9-179.4-69.1-171.7-177.100113.6Q8 K9E5-Q8 PolarHBondContact O-N 3.03Å; E5-K9 WeakPolarHBondContact O-CB 3.4Å; E5-K9 VanDerWaalsContact O-CG 3.3Å; E5-K9 WeakPolarHBondContact O-CG 3.41Å; E5-K9 PolarHBondContact O-N 3.21Å; E5-K9 IonicContact OE2-NZ 3.96Å
6S90.6Very high89.4Confident76 Ų7659.1 Ų59.153%0.53130%0.302SS..Hα-helixtrans-66.9-38.7178.557.90000111.9S4 G10S4-S6 PolarHBondContact O-N 2.66Å; S4-S6 VanDerWaalsContact O-N 3.14Å; S4-S6 PolarHBondContact OG-OG 3.41Å; S4-S6 VanDerWaalsContact OG-OG 3.13Å; S6-G10 PolarHBondContact O-N 2.83Å
7V93.2Very high89.1Confident11 Ų1162.9 Ų62.97%0.06732%0.318CS..Hα-helixtrans-69.1-45175.4174.90000110L3 S4 K9 G10 L11 A65 T68L3-V7 HydrophobicContact CB-CB 4.48Å; L3-V7 HydrophobicContact CB-CG1 4.27Å; L3-V7 HydrophobicContact CD1-CG1 4.44Å; L3-V7 HydrophobicContact CD2-CG1 4.17Å; S4-V7 WeakPolarHBondContact O-CB 3.24Å; S4-V7 PolarHBondContact O-N 2.78Å; S4-V7 VanDerWaalsContact OG-CG2 3.3Å; S4-V7 WeakPolarHBondContact OG-CG2 3.43Å; V7-K9 PolarHBondContact O-N 2.85Å; V7-G10 PolarHBondContact O-N 2.85Å; V7-L11 HydrophobicContact CG1-CD1 3.96Å; V7-L11 HydrophobicContact CG1-CG 4.39Å; V7-L11 WeakPolarHBondContact O-CG 3.46Å; V7-L11 PolarHBondContact O-N 3.48Å; V7-A65 HydrophobicContact CG1-CB 4.19Å; V7-A65 WeakPolarHBondContact O-CB 3.42Å; V7-T68 HydrophobicContact CG1-CG2 4.47Å; V7-T68 HydrophobicContact CG2-CG2 3.91Å
8Q93.5Very high88.7Confident74 Ų7465.1 Ų65.135%0.34634%0.341SS..Hα-helixtrans-58.6-46.9176.4-65.6-178.114.800111.7L3 S4 E5 G10 L11 Q12 L90L3-Q8 HydrophobicContact CB-CG 3.84Å; L3-Q8 PolarHBondContact O-NE2 3.41Å; S4-Q8 WeakPolarHBondContact O-CG 3.15Å; S4-Q8 PolarHBondContact O-N 2.75Å; E5-Q8 PolarHBondContact O-N 3.03Å; Q8-G10 VanDerWaalsContact C-N 3.35Å; Q8-G10 PolarHBondContact O-N 3.16Å; Q8-L11 PolarHBondContact O-N 3.42Å; Q8-Q12 WeakPolarHBondContact O-CG 3.24Å; Q8-Q12 PolarHBondContact O-N 2.85Å; Q8-L90 HydrophobicContact CB-CD2 3.9Å; Q8-L90 HydrophobicContact CG-CD2 4.11Å
9K91.8Very high88.4Confident114 Ų11464.7 Ų64.750%0.49634%0.341SS..Hα-helixtrans-60.9-41.8175.7-73.5172.2-176.5167.80112.3E5 V7 L11 Q12 L13E5-K9 WeakPolarHBondContact O-CB 3.4Å; E5-K9 VanDerWaalsContact O-CG 3.3Å; E5-K9 WeakPolarHBondContact O-CG 3.41Å; E5-K9 PolarHBondContact O-N 3.21Å; E5-K9 IonicContact OE2-NZ 3.96Å; V7-K9 PolarHBondContact O-N 2.85Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 2.93Å; K9-Q12 PolarHBondContact O-N 2.82Å; K9-L13 WeakPolarHBondContact O-CG 3.46Å; K9-L13 PolarHBondContact O-N 2.95Å
10G92.5Very high88.3Confident0 Ų061.6 Ų61.60%033%0.325CS..Hα-helixtrans-64.6-35.4177.100000113.6S6 V7 Q8 S62S6-G10 PolarHBondContact O-N 2.83Å; V7-G10 PolarHBondContact O-N 2.85Å; Q8-G10 VanDerWaalsContact C-N 3.35Å; Q8-G10 PolarHBondContact O-N 3.16Å; G10-S62 PolarHBondContact O-OG 3.12Å
11L93.3Very high88.4Confident0 Ų061.7 Ų61.70%033%0.326CS..Hα-helixtrans-75-37.5174.3-69.5171.7000112.3L3 V7 Q8 K9 L13 L14 A15 A65 L66 F69 L90 F92L3-L11 HydrophobicContact CD1-CD1 3.81Å; V7-L11 HydrophobicContact CG1-CD1 3.96Å; V7-L11 HydrophobicContact CG1-CG 4.39Å; V7-L11 WeakPolarHBondContact O-CG 3.46Å; V7-L11 PolarHBondContact O-N 3.48Å; Q8-L11 PolarHBondContact O-N 3.42Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 2.93Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 2.93Å; L11-L14 HydrophobicContact CD2-CD1 4.27Å; L11-L14 CarbonylContact O-C 3.42Å; L11-L14 VanDerWaalsContact O-CA 3.31Å; L11-L14 WeakPolarHBondContact O-CA 3.48Å; L11-L14 VanDerWaalsContact O-CB 3.26Å; L11-L14 WeakPolarHBondContact O-CB 3.44Å; L11-L14 PolarHBondContact O-N 3.12Å; L11-A15 PolarHBondContact O-N 2.87Å; L11-A65 HydrophobicContact CD2-CB 4.49Å; L11-A65 HydrophobicContact CG-CB 4.2Å; L11-L66 HydrophobicContact CD2-CD1 4.26Å; L11-F69 HydrophobicContact CD1-CB 4.04Å; L11-F69 HydrophobicContact CD1-CD2 4.12Å; L11-F69 HydrophobicContact CD1-CG 4.09Å; L11-F69 HydrophobicContact CD2-CB 4.23Å; L11-L90 HydrophobicContact CB-CD1 3.82Å; L11-L90 HydrophobicContact CD1-CD1 3.52Å; L11-L90 HydrophobicContact CG-CD1 4.33Å; L11-F92 HydrophobicContact CB-CE2 4.18Å; L11-F92 HydrophobicContact CB-CZ 4.43Å; L11-F92 WeakPolarHBondContact O-CE2 3.26Å; L11-F92 WeakPolarHBondContact O-CZ 3.42Å
12Q93.1Very high89.2Confident84 Ų8463.5 Ų63.539%0.39333%0.333SS..Hα-helixtrans-61.7-36.3175.1-76.8172.2-8.900112.1Q8 K9 L14 A15 D16 L90Q8-Q12 WeakPolarHBondContact O-CG 3.24Å; Q8-Q12 PolarHBondContact O-N 2.85Å; K9-Q12 PolarHBondContact O-N 2.82Å; Q12-L14 PolarHBondContact O-N 2.91Å; Q12-A15 WeakPolarHBondContact O-CB 3.32Å; Q12-A15 PolarHBondContact O-N 2.88Å; Q12-A15 VanDerWaalsContact O-N 3.07Å; Q12-D16 PolarHBondContact O-N 2.94Å; Q12-L90 HydrophobicContact CG-CB 4.33Å; Q12-L90 HydrophobicContact CG-CD2 4.08Å
13L90.5Very high89.8Confident49 Ų4957.1 Ų57.126%0.25731%0.31SS..Hα-helixtrans-61.3-32.4170.1-68.1168.3000112.2K9 L11 A15 T19 V20 L58K9-L13 WeakPolarHBondContact O-CG 3.46Å; K9-L13 PolarHBondContact O-N 2.95Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 2.93Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-T19 PolarHBondContact O-OG1 2.86Å; L13-V20 WeakPolarHBondContact O-CG2 3.44Å; L13-L58 HydrophobicContact CD1-CD2 3.89Å
14L89.8Confident89.9Confident0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-79.6-15.2174.3-72168000113.8L11 Q12 V20 L28 L66 F92 R96L11-L14 HydrophobicContact CD2-CD1 4.27Å; L11-L14 CarbonylContact O-C 3.42Å; L11-L14 VanDerWaalsContact O-CA 3.31Å; L11-L14 WeakPolarHBondContact O-CA 3.48Å; L11-L14 VanDerWaalsContact O-CB 3.26Å; L11-L14 WeakPolarHBondContact O-CB 3.44Å; L11-L14 PolarHBondContact O-N 3.12Å; Q12-L14 PolarHBondContact O-N 2.91Å; L14-V20 HydrophobicContact CD2-CG1 4.45Å; L14-V20 HydrophobicContact CD2-CG2 4.31Å; L14-L28 HydrophobicContact CD2-CD2 3.35Å; L14-L28 HydrophobicContact CG-CD2 4.49Å; L14-L66 HydrophobicContact CD1-CB 3.96Å; L14-L66 HydrophobicContact CD1-CD1 4.46Å; L14-L66 HydrophobicContact CD1-CD2 4.19Å; L14-L66 HydrophobicContact CD1-CG 4.45Å; L14-F92 HydrophobicContact CB-CE1 4.38Å; L14-F92 HydrophobicContact CB-CZ 3.84Å; L14-R96 PolarHBondContact O-NH1 2.86Å
15A89.9Confident90Very high5 Ų553 Ų534%0.04128%0.283CS..Hα-helixtrans-79.6-35.2173.800000111.1L11 Q12 L13 Q17 L90 F92 R96L11-A15 PolarHBondContact O-N 2.87Å; Q12-A15 WeakPolarHBondContact O-CB 3.32Å; Q12-A15 PolarHBondContact O-N 2.88Å; Q12-A15 VanDerWaalsContact O-N 3.07Å; L13-A15 VanDerWaalsContact C-N 3.35Å; A15-Q17 PolarHBondContact O-N 3.38Å; A15-L90 WeakPolarHBondContact CB-O 3.49Å; A15-F92 HydrophobicContact CB-CD2 3.54Å; A15-F92 HydrophobicContact CB-CE2 3.69Å; A15-F92 HydrophobicContact CB-CG 4.08Å; A15-F92 HydrophobicContact CB-CZ 4.35Å; A15-R96 PolarHBondContact O-NH1 3.43Å
16D88.9Confident90.1Very high60 Ų6050.1 Ų50.132%0.32127%0.269SS..  trans-68.1118-176.8177.117.2000112.1Q12 S18 T19 V20Q12-D16 PolarHBondContact O-N 2.94Å; D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.1Å; D16-S18 PolarHBondContact OD1-N 3.3Å; D16-S18 PolarHBondContact OD1-OG 3.34Å; D16-S18 PolarHBondContact OD2-OG 3.25Å; D16-T19 VanDerWaalsContact CB-OG1 3.32Å; D16-T19 WeakPolarHBondContact CB-OG1 3.44Å; D16-T19 PolarHBondContact O-OG1 3.44Å; D16-T19 WeakPolarHBondContact OD2-CG2 3.43Å; D16-T19 PolarHBondContact OD2-OG1 2.79Å; D16-V20 PolarHBondContact O-N 2.99Å; D16-V20 VanDerWaalsContact O-N 3.11Å
17Q84.3Confident90.2Very high123 Ų12347.8 Ų47.858%0.57525%0.252SS*.THydrogen-bonded Turntrans-77.8-17.8-178.3-54.6-170.1-2.200112.9A15 V20A15-Q17 PolarHBondContact O-N 3.38Å; Q17-V20 WeakPolarHBondContact CA-O 3.47Å
18S82.9Confident90.3Very high103 Ų10347.2 Ų47.272%0.7225%0.248SC*.THydrogen-bonded Turntrans-76.5-30.3178.473.90000112.2D16D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 WeakPolarHBondContact OD1-CB 3.1Å; D16-S18 PolarHBondContact OD1-N 3.3Å; D16-S18 PolarHBondContact OD1-OG 3.34Å; D16-S18 PolarHBondContact OD2-OG 3.25Å
19T81.9Confident90.3Very high58 Ų5843.7 Ų43.736%0.35623%0.232SC..THydrogen-bonded Turntrans-95.9-37-18045.40000112.6L13 D16L13-T19 PolarHBondContact O-OG1 2.86Å; D16-T19 VanDerWaalsContact CB-OG1 3.32Å; D16-T19 WeakPolarHBondContact CB-OG1 3.44Å; D16-T19 PolarHBondContact O-OG1 3.44Å; D16-T19 WeakPolarHBondContact OD2-CG2 3.43Å; D16-T19 PolarHBondContact OD2-OG1 2.79Å
20V87.2Confident90.4Very high2 Ų241.7 Ų41.71%0.01223%0.227CC..SBendtrans-121.2113.4178.2-1750000109.1L13 L14 D16 Q17 F25 M54 R96L13-V20 WeakPolarHBondContact O-CG2 3.44Å; L14-V20 HydrophobicContact CD2-CG1 4.45Å; L14-V20 HydrophobicContact CD2-CG2 4.31Å; D16-V20 PolarHBondContact O-N 2.99Å; D16-V20 VanDerWaalsContact O-N 3.11Å; Q17-V20 WeakPolarHBondContact CA-O 3.47Å; V20-F25 HydrophobicContact CG1-CB 3.99Å; V20-M54 HydrophobicContact CG2-CE 3.67Å; V20-M54 HydrophobicContact CG2-SD 4.27Å; V20-R96 PolarHBondContact O-NH1 3.49Å; V20-R96 PolarHBondContact O-NH2 2.94Å
21N89.7Confident90.4Very high64 Ų6441.7 Ų41.734%0.34223%0.227SC..  trans-73.9169.3174.867.738.7000111.8S23 S24 F25N21-S23 PolarHBondContact O-N 3.01Å; N21-S23 PolarHBondContact OD1-N 2.95Å; N21-S23 PolarHBondContact OD1-OG 2.84Å; N21-S24 VanDerWaalsContact CG-OG 3.27Å; N21-S24 PolarHBondContact ND2-OG 3.4Å; N21-S24 PolarHBondContact O-N 3.47Å; N21-S24 WeakPolarHBondContact OD1-CB 3.48Å; N21-S24 PolarHBondContact OD1-N 2.61Å; N21-S24 PolarHBondContact OD1-OG 3.03Å; N21-F25 PolarHBondContact O-N 3.25Å
22H89.1Confident90.4Very high95 Ų9541.7 Ų41.744%0.4423%0.227SC..Hα-helixtrans-60.2-43.4-175.9-172.592.2000113.8S24 F25 Q26 I99H22-S24 VanDerWaalsContact C-N 3.34Å; H22-S24 PolarHBondContact O-N 3.26Å; H22-F25 PolarHBondContact O-N 3Å; H22-Q26 PolarHBondContact NE2-NE2 2.97Å; H22-Q26 PolarHBondContact O-N 3.38Å; H22-Q26 VanDerWaalsContact O-N 3.15Å; H22-I99 WeakPolarHBondContact CE1-CD1 3.23Å
23S90.3Very high90.4Very high57 Ų5737.8 Ų37.840%0.39921%0.208SC..Hα-helixtrans-66.5-38.4179.952.80000111.8N21 Q26 V27N21-S23 PolarHBondContact O-N 3.01Å; N21-S23 PolarHBondContact OD1-N 2.95Å; N21-S23 PolarHBondContact OD1-OG 2.84Å; S23-Q26 PolarHBondContact O-N 2.87Å; S23-V27 WeakPolarHBondContact O-CB 3.36Å; S23-V27 VanDerWaalsContact O-CG2 3.31Å; S23-V27 WeakPolarHBondContact O-CG2 3.42Å; S23-V27 PolarHBondContact O-N 2.87Å
24S91.8Very high90.5Very high0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-70.3-36.8179.7-53.80000111.7N21 H22 L28 E50 H53N21-S24 VanDerWaalsContact CG-OG 3.27Å; N21-S24 PolarHBondContact ND2-OG 3.4Å; N21-S24 PolarHBondContact O-N 3.47Å; N21-S24 WeakPolarHBondContact OD1-CB 3.48Å; N21-S24 PolarHBondContact OD1-N 2.61Å; N21-S24 PolarHBondContact OD1-OG 3.03Å; H22-S24 VanDerWaalsContact C-N 3.34Å; H22-S24 PolarHBondContact O-N 3.26Å; S24-L28 WeakPolarHBondContact O-CB 3.5Å; S24-L28 PolarHBondContact O-N 2.96Å; S24-E50 PolarHBondContact OG-O 3.22Å; S24-E50 VanDerWaalsContact OG-O 3.1Å; S24-H53 PolarHBondContact OG-CE1 3.42Å
25F93.8Very high90.5Very high0 Ų042.7 Ų42.70%023%0.232CC..Hα-helixtrans-60.1-49.2171.5175.1-104.3000111.4V20 N21 H22 L28 L29 F92 R96 I99V20-F25 HydrophobicContact CG1-CB 3.99Å; N21-F25 PolarHBondContact O-N 3.25Å; H22-F25 PolarHBondContact O-N 3Å; F25-L28 PolarHBondContact O-N 3.45Å; F25-L29 WeakPolarHBondContact O-CB 3.13Å; F25-L29 PolarHBondContact O-N 3.04Å; F25-F92 AromaticContact CE2-CE1 3.87Å; F25-F92 HydrophobicContact CE2-CE1 3.87Å; F25-F92 HydrophobicContact CZ-CE1 4.25Å; F25-R96 HydrophobicContact CD1-CB 4.37Å; F25-R96 HydrophobicContact CD1-CG 3.94Å; F25-R96 HydrophobicContact CE1-CB 3.8Å; F25-R96 HydrophobicContact CE1-CG 3.89Å; F25-R96 HydrophobicContact CG-CG 4.38Å; F25-R96 HydrophobicContact CZ-CB 3.96Å; F25-R96 HydrophobicContact CZ-CG 4.31Å; F25-I99 HydrophobicContact CD1-CG2 4.34Å; F25-I99 HydrophobicContact CE1-CB 4.22Å; F25-I99 HydrophobicContact CE1-CG2 3.86Å
26Q93.6Very high90.5Very high78 Ų7844 Ų4436%0.36424%0.238SC..Hα-helixtrans-60.7-48.4177.8-73-163.6-0.600111.9H22 S23 L28 L29 D30 I99H22-Q26 PolarHBondContact NE2-NE2 2.97Å; H22-Q26 PolarHBondContact O-N 3.38Å; H22-Q26 VanDerWaalsContact O-N 3.15Å; S23-Q26 PolarHBondContact O-N 2.87Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.21Å; Q26-L29 WeakPolarHBondContact O-CB 3.41Å; Q26-L29 PolarHBondContact O-N 3.49Å; Q26-D30 PolarHBondContact O-N 2.96Å; Q26-I99 HydrophobicContact CG-CD1 4.42Å; Q26-I99 HydrophobicContact CG-CG2 4.05Å
27V94.1Very high90.5Very high26 Ų2643.9 Ų43.916%0.15824%0.238CC..Hα-helixtrans-61.5-41.9179.3170.40000111.3S23 L29 D30 V31 Q48 E50 L51S23-V27 WeakPolarHBondContact O-CB 3.36Å; S23-V27 VanDerWaalsContact O-CG2 3.31Å; S23-V27 WeakPolarHBondContact O-CG2 3.42Å; S23-V27 PolarHBondContact O-N 2.87Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-D30 PolarHBondContact O-N 2.92Å; V27-V31 HydrophobicContact CG1-CG2 4.31Å; V27-V31 VanDerWaalsContact O-CB 3.24Å; V27-V31 WeakPolarHBondContact O-CB 3.34Å; V27-V31 WeakPolarHBondContact O-CG2 3.39Å; V27-V31 PolarHBondContact O-N 2.85Å; V27-Q48 HydrophobicContact CG1-CB 3.67Å; V27-Q48 HydrophobicContact CG1-CG 3.68Å; V27-E50 HydrophobicContact CB-CB 4.41Å; V27-E50 HydrophobicContact CG2-CB 4.08Å; V27-E50 HydrophobicContact CG2-CG 3.91Å; V27-L51 HydrophobicContact CG1-CD1 4.14Å; V27-L51 HydrophobicContact CG1-CD2 4.41Å; V27-L51 HydrophobicContact CG1-CG 4.09Å
28L93.5Very high90.6Very high0 Ų040.5 Ų40.50%023%0.227CC..Hα-helixtrans-67.7-35.6178.4-175.857.2000112.4L14 S24 F25 Q26 S32 L46 L51 L59 H63 L66L14-L28 HydrophobicContact CD2-CD2 3.35Å; L14-L28 HydrophobicContact CG-CD2 4.49Å; S24-L28 WeakPolarHBondContact O-CB 3.5Å; S24-L28 PolarHBondContact O-N 2.96Å; F25-L28 PolarHBondContact O-N 3.45Å; Q26-L28 VanDerWaalsContact C-N 3.32Å; Q26-L28 PolarHBondContact O-N 3.21Å; L28-S32 VanDerWaalsContact O-CB 3.29Å; L28-S32 WeakPolarHBondContact O-CB 3.28Å; L28-S32 PolarHBondContact O-N 3.44Å; L28-S32 PolarHBondContact O-OG 3.34Å; L28-L46 HydrophobicContact CD1-CD2 3.95Å; L28-L51 HydrophobicContact CB-CD2 4.12Å; L28-L51 HydrophobicContact CD1-CD1 4.48Å; L28-L59 HydrophobicContact CD1-CD1 3.85Å; L28-L59 HydrophobicContact CD2-CD1 4.12Å; L28-H63 HydrophobicContact CD1-CB 4.07Å; L28-L66 HydrophobicContact CG-CD2 4.33Å
29L94.9Very high90Very high0 Ų042 Ų420%024%0.238CC..Hα-helixtrans-63.7-51.2173.6-174.766000110.8F25 Q26 V27 V31 S32 F33 L66 I99 F100 T103F25-L29 WeakPolarHBondContact O-CB 3.13Å; F25-L29 PolarHBondContact O-N 3.04Å; Q26-L29 WeakPolarHBondContact O-CB 3.41Å; Q26-L29 PolarHBondContact O-N 3.49Å; V27-L29 VanDerWaalsContact C-N 3.34Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.44Å; L29-S32 WeakPolarHBondContact O-CB 3.16Å; L29-S32 PolarHBondContact O-N 2.99Å; L29-S32 VanDerWaalsContact O-N 3.08Å; L29-F33 HydrophobicContact CD1-CD2 4.03Å; L29-F33 HydrophobicContact CD1-CE2 3.59Å; L29-F33 HydrophobicContact CG-CD2 4.06Å; L29-F33 HydrophobicContact CG-CE2 3.94Å; L29-F33 WeakPolarHBondContact O-CD2 3.47Å; L29-F33 PolarHBondContact O-N 3.4Å; L29-L66 HydrophobicContact CB-CD2 4.46Å; L29-L66 HydrophobicContact CD1-CD1 4.14Å; L29-L66 HydrophobicContact CD1-CD2 3.97Å; L29-L66 HydrophobicContact CD1-CG 4.36Å; L29-I99 HydrophobicContact CD2-CG2 3.9Å; L29-F100 HydrophobicContact CD1-CD2 3.52Å; L29-F100 HydrophobicContact CD1-CE2 3.88Å; L29-T103 HydrophobicContact CD2-CG2 4.15Å; L29-T103 WeakPolarHBondContact CD2-OG1 3.33Å; L29-T103 HydrophobicContact CG-CG2 4.2Å
30D92.8Very high89.5Confident72 Ų7249.7 Ų49.739%0.38526%0.261SS..Hα-helixtrans-61.1-42.7178.5-76.2-21.3000112.2Q26 V27 S32 F33 R34Q26-D30 PolarHBondContact O-N 2.96Å; V27-D30 PolarHBondContact O-N 2.92Å; D30-S32 VanDerWaalsContact C-N 3.32Å; D30-S32 PolarHBondContact O-N 3.43Å; D30-F33 PolarHBondContact O-N 3.18Å; D30-R34 WeakPolarHBondContact O-CB 3.34Å; D30-R34 PolarHBondContact O-N 2.94Å
31V93.1Very high88.7Confident0 Ų054.2 Ų54.20%030%0.298CS..Hα-helixtrans-61.3-40.6173.5160.10000111.3V27 L29 G35 V45 L46 Q48V27-V31 HydrophobicContact CG1-CG2 4.31Å; V27-V31 VanDerWaalsContact O-CB 3.24Å; V27-V31 WeakPolarHBondContact O-CB 3.34Å; V27-V31 WeakPolarHBondContact O-CG2 3.39Å; V27-V31 PolarHBondContact O-N 2.85Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.44Å; V31-G35 WeakPolarHBondContact O-CA 3.47Å; V31-G35 PolarHBondContact O-N 3.34Å; V31-V45 HydrophobicContact CG1-CB 4.25Å; V31-V45 HydrophobicContact CG1-CG1 4.01Å; V31-V45 HydrophobicContact CG1-CG2 3.69Å; V31-V45 VanDerWaalsContact CG1-O 3.3Å; V31-V45 WeakPolarHBondContact CG1-O 3.48Å; V31-V45 WeakPolarHBondContact CG2-O 3.37Å; V31-L46 HydrophobicContact CG1-CD2 3.83Å; V31-Q48 HydrophobicContact CG2-CG 3.79Å
32S94Very high88.1Confident0 Ų055 Ų550%030%0.302CS..Hα-helixtrans-64.6-46.6177.9-60.60000112.3L28 L29 D30 G35 L36 H63L28-S32 VanDerWaalsContact O-CB 3.29Å; L28-S32 WeakPolarHBondContact O-CB 3.28Å; L28-S32 PolarHBondContact O-N 3.44Å; L28-S32 PolarHBondContact O-OG 3.34Å; L29-S32 WeakPolarHBondContact O-CB 3.16Å; L29-S32 PolarHBondContact O-N 2.99Å; L29-S32 VanDerWaalsContact O-N 3.08Å; D30-S32 VanDerWaalsContact C-N 3.32Å; D30-S32 PolarHBondContact O-N 3.43Å; S32-G35 PolarHBondContact O-N 3.03Å; S32-L36 WeakPolarHBondContact O-CG 3.36Å; S32-L36 PolarHBondContact O-N 3.39Å; S32-L36 VanDerWaalsContact O-N 3.11Å; S32-H63 PolarHBondContact OG-ND1 2.94Å
33F93.4Very high87.4Confident2 Ų256 Ų561%0.00932%0.318CS..Hα-helixtrans-63-47175.1-82.9-76.8000112.4L29 D30 G35 L36 L37 I70 T103 H107 I111L29-F33 HydrophobicContact CD1-CD2 4.03Å; L29-F33 HydrophobicContact CD1-CE2 3.59Å; L29-F33 HydrophobicContact CG-CD2 4.06Å; L29-F33 HydrophobicContact CG-CE2 3.94Å; L29-F33 WeakPolarHBondContact O-CD2 3.47Å; L29-F33 PolarHBondContact O-N 3.4Å; D30-F33 PolarHBondContact O-N 3.18Å; F33-G35 VanDerWaalsContact C-N 3.34Å; F33-G35 PolarHBondContact O-N 3.47Å; F33-L36 PolarHBondContact O-N 3.43Å; F33-L37 WeakPolarHBondContact O-CG 3.38Å; F33-L37 PolarHBondContact O-N 3.01Å; F33-L37 VanDerWaalsContact O-N 3.09Å; F33-I70 HydrophobicContact CD1-CD1 4.41Å; F33-I70 HydrophobicContact CD1-CG2 4.14Å; F33-I70 HydrophobicContact CD2-CD1 3.96Å; F33-I70 HydrophobicContact CE1-CD1 4.18Å; F33-I70 HydrophobicContact CE1-CG1 4.25Å; F33-I70 HydrophobicContact CE1-CG2 3.55Å; F33-I70 HydrophobicContact CE2-CD1 3.72Å; F33-I70 HydrophobicContact CE2-CG1 4.16Å; F33-I70 HydrophobicContact CG-CD1 4.29Å; F33-I70 HydrophobicContact CZ-CD1 3.82Å; F33-I70 HydrophobicContact CZ-CG1 3.82Å; F33-I70 HydrophobicContact CZ-CG2 3.96Å; F33-T103 HydrophobicContact CD2-CG2 3.45Å; F33-T103 VanDerWaalsContact CD2-CG2 3.45Å; F33-T103 HydrophobicContact CE2-CG2 3.56Å; F33-T103 HydrophobicContact CG-CG2 4.23Å; F33-T103 HydrophobicContact CZ-CG2 4.42Å; F33-H107 HydrophobicContact CD1-CB 3.51Å; F33-H107 HydrophobicContact CE1-CB 3.89Å; F33-H107 HydrophobicContact CG-CB 4.29Å; F33-I111 HydrophobicContact CD1-CD1 3.54Å; F33-I111 HydrophobicContact CE1-CD1 3.54Å
34R91.1Very high87Confident122 Ų12256.8 Ų56.846%0.4632%0.32SS..Hα-helixtrans-62-41.8177.4173.7171.337.2-177.1-8.6112D30 L36 L37 S38D30-R34 WeakPolarHBondContact O-CB 3.34Å; D30-R34 PolarHBondContact O-N 2.94Å; R34-L36 VanDerWaalsContact C-N 3.32Å; R34-L36 PolarHBondContact O-N 3.2Å; R34-L37 PolarHBondContact O-N 2.76Å; R34-S38 WeakPolarHBondContact O-CB 3.48Å; R34-S38 PolarHBondContact O-N 3.32Å; R34-S38 PolarHBondContact O-OG 2.75Å
35G89.8Confident86.6Confident29 Ų2957.5 Ų57.530%0.29933%0.325SS..Hα-helixtrans-60.7-41.1177.800000112.1V31 S32 F33V31-G35 WeakPolarHBondContact O-CA 3.47Å; V31-G35 PolarHBondContact O-N 3.34Å; S32-G35 PolarHBondContact O-N 3.03Å; F33-G35 VanDerWaalsContact C-N 3.34Å; F33-G35 PolarHBondContact O-N 3.47Å
36L90.5Very high86.3Confident32 Ų3258.9 Ų58.917%0.16833%0.331CS..Hα-helixtrans-66.2-40.1175.4-72.1174.8000112.9S32 F33 R34 S38 T67 I70 L71 I111 L114S32-L36 WeakPolarHBondContact O-CG 3.36Å; S32-L36 PolarHBondContact O-N 3.39Å; S32-L36 VanDerWaalsContact O-N 3.11Å; F33-L36 PolarHBondContact O-N 3.43Å; R34-L36 VanDerWaalsContact C-N 3.32Å; R34-L36 PolarHBondContact O-N 3.2Å; L36-S38 VanDerWaalsContact C-N 3.33Å; L36-T67 HydrophobicContact CD1-CG2 4.4Å; L36-T67 HydrophobicContact CD2-CG2 4.29Å; L36-T67 HydrophobicContact CG-CG2 4.12Å; L36-I70 HydrophobicContact CD1-CB 4.02Å; L36-I70 HydrophobicContact CD1-CD1 4.43Å; L36-I70 HydrophobicContact CD1-CG2 3.6Å; L36-L71 HydrophobicContact CD1-CD2 4.21Å; L36-L71 HydrophobicContact CD1-CG 4.13Å; L36-L71 HydrophobicContact CD2-CD1 3.86Å; L36-L71 HydrophobicContact CD2-CD2 4.04Å; L36-L71 HydrophobicContact CD2-CG 3.98Å; L36-I111 HydrophobicContact CD1-CD1 4.48Å; L36-L114 WeakPolarHBondContact O-CD2 3.47Å
37L89.6Confident86Confident59 Ų5959.9 Ų59.931%0.30934%0.339SS..Hα-helixtrans-83.2-9.1-177.5-65.8176.1000113.8F33 R34 H107 D110 I111F33-L37 WeakPolarHBondContact O-CG 3.38Å; F33-L37 PolarHBondContact O-N 3.01Å; F33-L37 VanDerWaalsContact O-N 3.09Å; R34-L37 PolarHBondContact O-N 2.76Å; L37-H107 HydrophobicContact CD1-CB 4.4Å; L37-D110 HydrophobicContact CD1-CB 3.94Å; L37-D110 HydrophobicContact CD2-CB 3.61Å; L37-D110 HydrophobicContact CG-CB 4.45Å; L37-I111 HydrophobicContact CD2-CG1 3.8Å; L37-I111 HydrophobicContact CG-CG1 4.33Å
38S85.7Confident85.7Confident51 Ų5161 Ų6136%0.35734%0.343SS..  trans-78.4127.2-179.6-65.50000110.8R34 L36 R40R34-S38 WeakPolarHBondContact O-CB 3.48Å; R34-S38 PolarHBondContact O-N 3.32Å; R34-S38 PolarHBondContact O-OG 2.75Å; L36-S38 VanDerWaalsContact C-N 3.33Å; S38-R40 PolarHBondContact O-N 3.41Å
39S69.5Low85.4Confident136 Ų13664.8 Ų64.895%0.95137%0.368SS*.SBendtrans-61.1-16.3177.9178.30000114.1
40R72.4Confident85.1Confident219 Ų21968.4 Ų68.483%0.82638%0.384SS*.SBendtrans-136.8137.3179.9-158.6174.7-167.6-175.83.3109.3S38 D42S38-R40 PolarHBondContact O-N 3.41Å; R40-D42 PolarHBondContact O-N 3.25Å; R40-D42 VanDerWaalsContact O-N 3.07Å
41A69.6Low84.9Confident97 Ų9765.1 Ų65.180%0.80237%0.367SS*.  trans-61.4111.6173.800000109.7P43A41-P43 WeakPolarHBondContact O-CD 3.36Å
42D78.3Confident84.6Confident79 Ų7973 Ų7342%0.42240%0.401SS..  trans-85.6111.5173.9-178.6-4.7000108.9R40 T44 V45R40-D42 PolarHBondContact O-N 3.25Å; R40-D42 VanDerWaalsContact O-N 3.07Å; D42-T44 PolarHBondContact O-N 3.25Å; D42-T44 WeakPolarHBondContact OD1-CA 3.48Å; D42-T44 WeakPolarHBondContact OD1-CB 3.44Å; D42-T44 PolarHBondContact OD1-N 3.31Å; D42-T44 PolarHBondContact OD1-OG1 3.32Å; D42-T44 PolarHBondContact OD2-OG1 3Å; D42-V45 HydrophobicContact CB-CB 4.24Å; D42-V45 WeakPolarHBondContact O-CB 3.46Å; D42-V45 PolarHBondContact O-N 2.69Å
43P73.5Confident84.2Confident118 Ų11877.9 Ų77.977%0.76642%0.424SS*.THydrogen-bonded Turntrans-66.1-16.8-179.728.7-34.5000112.9A41A41-P43 WeakPolarHBondContact O-CD 3.36Å
44T81.6Confident83.9Confident72 Ų7279.1 Ų79.144%0.44243%0.43SS..THydrogen-bonded Turntrans-96.93.3-17968.40000113.3D42 L46 D47D42-T44 PolarHBondContact O-N 3.25Å; D42-T44 WeakPolarHBondContact OD1-CA 3.48Å; D42-T44 WeakPolarHBondContact OD1-CB 3.44Å; D42-T44 PolarHBondContact OD1-N 3.31Å; D42-T44 PolarHBondContact OD1-OG1 3.32Å; D42-T44 PolarHBondContact OD2-OG1 3Å; T44-L46 PolarHBondContact O-N 3.42Å; T44-L46 VanDerWaalsContact O-N 3.07Å; T44-D47 WeakPolarHBondContact CA-OD2 3.46Å; T44-D47 WeakPolarHBondContact O-CB 3.29Å; T44-D47 PolarHBondContact O-N 2.92Å
45V83.3Confident83.8Confident16 Ų1677.3 Ų77.310%0.09743%0.429CS..THydrogen-bonded Turntrans-57.5-32.3-175.281.70000112.4V31 D42 Q48V31-V45 HydrophobicContact CG1-CB 4.25Å; V31-V45 HydrophobicContact CG1-CG1 4.01Å; V31-V45 HydrophobicContact CG1-CG2 3.69Å; V31-V45 VanDerWaalsContact CG1-O 3.3Å; V31-V45 WeakPolarHBondContact CG1-O 3.48Å; V31-V45 WeakPolarHBondContact CG2-O 3.37Å; D42-V45 HydrophobicContact CB-CB 4.24Å; D42-V45 WeakPolarHBondContact O-CB 3.46Å; D42-V45 PolarHBondContact O-N 2.69Å; V45-Q48 PolarHBondContact O-NE2 2.94Å
46L87.1Confident83.8Confident28 Ų2884 Ų8415%0.14745%0.446CS..THydrogen-bonded Turntrans-89.1-5.2178.6-64.1175.8000114.4L28 V31 T44 Q48 L59 K60 H63L28-L46 HydrophobicContact CD1-CD2 3.95Å; V31-L46 HydrophobicContact CG1-CD2 3.83Å; T44-L46 PolarHBondContact O-N 3.42Å; T44-L46 VanDerWaalsContact O-N 3.07Å; L46-Q48 PolarHBondContact O-N 2.7Å; L46-L59 HydrophobicContact CB-CD2 4.11Å; L46-L59 HydrophobicContact CD1-CG 4.5Å; L46-L59 HydrophobicContact CD2-CG 4.33Å; L46-K60 HydrophobicContact CD1-CG 4.14Å; L46-H63 HydrophobicContact CD1-CB 4.44Å; L46-H63 HydrophobicContact CD2-CB 3.97Å
47D87.6Confident83.7Confident99 Ų9988.5 Ų88.553%0.52947%0.468SS..  trans-82.840.5-176.6-66-29.2000112.4T44T44-D47 WeakPolarHBondContact CA-OD2 3.46Å; T44-D47 WeakPolarHBondContact O-CB 3.29Å; T44-D47 PolarHBondContact O-N 2.92Å
48Q88.3Confident83.7Confident50 Ų5088.8 Ų88.823%0.23447%0.47CS..  trans-82144179.4-55.1-58.1-35.500111.2V27 V31 V45 L46 E50 L51V27-Q48 HydrophobicContact CG1-CB 3.67Å; V27-Q48 HydrophobicContact CG1-CG 3.68Å; V31-Q48 HydrophobicContact CG2-CG 3.79Å; V45-Q48 PolarHBondContact O-NE2 2.94Å; L46-Q48 PolarHBondContact O-N 2.7Å; Q48-E50 PolarHBondContact O-N 3.47Å; Q48-L51 HydrophobicContact CB-CB 4.5Å; Q48-L51 HydrophobicContact CB-CD1 3.93Å; Q48-L51 HydrophobicContact CB-CG 4.03Å; Q48-L51 HydrophobicContact CG-CD1 4.09Å; Q48-L51 PolarHBondContact O-N 3.22Å
49P87.8Confident84Confident80 Ų8087 Ų8752%0.51946%0.456SS..G310 helixtrans-60.3-34.3-177.320.9-27.7000113L51 K52P49-L51 VanDerWaalsContact C-N 3.26Å; P49-L51 PolarHBondContact O-N 3.4Å; P49-K52 PolarHBondContact O-N 3.43Å
50E88.3Confident85Confident75 Ų7586 Ų8635%0.3544%0.435SS..G310 helixtrans-67.6-27.5178.8-60.676-16500111.8S24 V27 Q48 H53S24-E50 PolarHBondContact OG-O 3.22Å; S24-E50 VanDerWaalsContact OG-O 3.1Å; V27-E50 HydrophobicContact CB-CB 4.41Å; V27-E50 HydrophobicContact CG2-CB 4.08Å; V27-E50 HydrophobicContact CG2-CG 3.91Å; Q48-E50 PolarHBondContact O-N 3.47Å; E50-H53 PolarHBondContact O-CE1 3.14Å; E50-H53 PolarHBondContact O-ND1 3.04Å
51L88.6Confident85.9Confident3 Ų379 Ų792%0.01641%0.411CS..G310 helixtrans-88.7-9.3-176.1-57.9177.1000113.5V27 L28 Q48 P49 H53 M54 L59V27-L51 HydrophobicContact CG1-CD1 4.14Å; V27-L51 HydrophobicContact CG1-CD2 4.41Å; V27-L51 HydrophobicContact CG1-CG 4.09Å; L28-L51 HydrophobicContact CB-CD2 4.12Å; L28-L51 HydrophobicContact CD1-CD1 4.48Å; Q48-L51 HydrophobicContact CB-CB 4.5Å; Q48-L51 HydrophobicContact CB-CD1 3.93Å; Q48-L51 HydrophobicContact CB-CG 4.03Å; Q48-L51 HydrophobicContact CG-CD1 4.09Å; Q48-L51 PolarHBondContact O-N 3.22Å; P49-L51 VanDerWaalsContact C-N 3.26Å; P49-L51 PolarHBondContact O-N 3.4Å; L51-H53 PolarHBondContact O-N 3.03Å; L51-H53 VanDerWaalsContact O-N 3.13Å; L51-M54 HydrophobicContact CD2-SD 4.18Å; L51-M54 PolarHBondContact O-N 3.31Å; L51-M54 VanDerWaalsContact O-N 3.08Å; L51-L59 HydrophobicContact CB-CD1 4.36Å; L51-L59 HydrophobicContact CB-CD2 4.05Å; L51-L59 HydrophobicContact CD1-CD1 4.12Å; L51-L59 HydrophobicContact CD1-CD2 4.4Å; L51-L59 HydrophobicContact CD2-CD1 4.14Å; L51-L59 HydrophobicContact CG-CD1 4.43Å
52K86.5Confident87Confident166 Ų16674.4 Ų74.472%0.72237%0.374SS*.THydrogen-bonded Turntrans-62.9-22.3-173.2-69.5-175.7178.1178.60115.2P49 M54P49-K52 PolarHBondContact O-N 3.43Å; K52-M54 VanDerWaalsContact C-N 3.33Å
53H86.3Confident87.7Confident103 Ų10372.3 Ų72.348%0.47736%0.361SS..THydrogen-bonded Turntrans-80.7-14.3179.672-69.2000112.9S24 E50 L51S24-H53 PolarHBondContact OG-CE1 3.42Å; E50-H53 PolarHBondContact O-CE1 3.14Å; E50-H53 PolarHBondContact O-ND1 3.04Å; L51-H53 PolarHBondContact O-N 3.03Å; L51-H53 VanDerWaalsContact O-N 3.13Å
54M86.5Confident88.6Confident27 Ų2769 Ų6913%0.13334%0.344CS..SBendtrans-85146.8179.6-63.5178.462.200111.3V20 L51 K52 R56 L59V20-M54 HydrophobicContact CG2-CE 3.67Å; V20-M54 HydrophobicContact CG2-SD 4.27Å; L51-M54 HydrophobicContact CD2-SD 4.18Å; L51-M54 PolarHBondContact O-N 3.31Å; L51-M54 VanDerWaalsContact O-N 3.08Å; K52-M54 VanDerWaalsContact C-N 3.33Å; M54-R56 PolarHBondContact O-N 2.96Å; M54-L59 HydrophobicContact CE-CD1 4.07Å; M54-L59 HydrophobicContact SD-CD1 4.07Å
55D89.8Confident89.3Confident84 Ų8465.7 Ų65.745%0.44932%0.324SS..  trans-61.3137.4169.2175.975000110.9I57 L58 L59D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 3.06Å; D55-I57 WeakPolarHBondContact OD2-CA 3.31Å; D55-I57 VanDerWaalsContact OD2-CB 3.23Å; D55-I57 WeakPolarHBondContact OD2-CB 3.37Å; D55-I57 PolarHBondContact OD2-N 3.29Å; D55-L58 HydrophobicContact CB-CB 4.28Å; D55-L58 HydrophobicContact CB-CD1 4.03Å; D55-L58 HydrophobicContact CB-CG 4.05Å; D55-L58 PolarHBondContact O-N 3.42Å; D55-L58 PolarHBondContact OD2-N 2.65Å; D55-L58 VanDerWaalsContact OD2-N 3.14Å; D55-L59 WeakPolarHBondContact O-CB 3.44Å; D55-L59 PolarHBondContact O-N 3.49Å
56R88.6Confident89.8Confident171 Ų17165 Ų6565%0.64532%0.32SS*.Hα-helixtrans-67.2-30.3-172.6-168.3175.3-172.3-170.63.6113M54 K60M54-R56 PolarHBondContact O-N 2.96Å; R56-K60 WeakPolarHBondContact O-CG 3.49Å; R56-K60 PolarHBondContact O-N 2.96Å
57I89.6Confident90.2Very high125 Ų12564.7 Ų64.764%0.64132%0.319SS*.Hα-helixtrans-72.9-47.8178.2-57.5175.7000108.7D55 L59 K60 Q61D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 3.06Å; D55-I57 WeakPolarHBondContact OD2-CA 3.31Å; D55-I57 VanDerWaalsContact OD2-CB 3.23Å; D55-I57 WeakPolarHBondContact OD2-CB 3.37Å; D55-I57 PolarHBondContact OD2-N 3.29Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.17Å; I57-K60 PolarHBondContact O-N 3.24Å; I57-Q61 PolarHBondContact O-N 3.46Å
58L89.1Confident90.5Very high66 Ų6663 Ų6335%0.34631%0.312SS..Hα-helixtrans-59.9-43.9176.9-61.5-177.9000111.5L13 D55 K60 Q61 S62L13-L58 HydrophobicContact CD1-CD2 3.89Å; D55-L58 HydrophobicContact CB-CB 4.28Å; D55-L58 HydrophobicContact CB-CD1 4.03Å; D55-L58 HydrophobicContact CB-CG 4.05Å; D55-L58 PolarHBondContact O-N 3.42Å; D55-L58 PolarHBondContact OD2-N 2.65Å; D55-L58 VanDerWaalsContact OD2-N 3.14Å; L58-K60 VanDerWaalsContact C-N 3.35Å; L58-K60 PolarHBondContact O-N 3.43Å; L58-Q61 PolarHBondContact O-N 2.95Å; L58-S62 WeakPolarHBondContact O-CB 3.26Å; L58-S62 PolarHBondContact O-N 3.21Å; L58-S62 PolarHBondContact O-OG 3.09Å
59L91.2Very high90.9Very high12 Ų1260.6 Ų60.66%0.06330%0.301CS..Hα-helixtrans-58.7-45178.2-178.962.4000112.2L28 L46 L51 M54 D55 I57 H63L28-L59 HydrophobicContact CD1-CD1 3.85Å; L28-L59 HydrophobicContact CD2-CD1 4.12Å; L46-L59 HydrophobicContact CB-CD2 4.11Å; L46-L59 HydrophobicContact CD1-CG 4.5Å; L46-L59 HydrophobicContact CD2-CG 4.33Å; L51-L59 HydrophobicContact CB-CD1 4.36Å; L51-L59 HydrophobicContact CB-CD2 4.05Å; L51-L59 HydrophobicContact CD1-CD1 4.12Å; L51-L59 HydrophobicContact CD1-CD2 4.4Å; L51-L59 HydrophobicContact CD2-CD1 4.14Å; L51-L59 HydrophobicContact CG-CD1 4.43Å; M54-L59 HydrophobicContact CE-CD1 4.07Å; M54-L59 HydrophobicContact SD-CD1 4.07Å; D55-L59 WeakPolarHBondContact O-CB 3.44Å; D55-L59 PolarHBondContact O-N 3.49Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.17Å; L59-H63 VanDerWaalsContact O-CB 3.3Å; L59-H63 WeakPolarHBondContact O-CB 3.49Å; L59-H63 PolarHBondContact O-N 3.34Å
60K91.1Very high91.3Very high116 Ų11656.8 Ų56.850%0.50428%0.276SS..Hα-helixtrans-65.5-41.2177.1-75.2178.8176.5-173.10112L46 R56 I57 L58 A64L46-K60 HydrophobicContact CD1-CG 4.14Å; R56-K60 WeakPolarHBondContact O-CG 3.49Å; R56-K60 PolarHBondContact O-N 2.96Å; I57-K60 PolarHBondContact O-N 3.24Å; L58-K60 VanDerWaalsContact C-N 3.35Å; L58-K60 PolarHBondContact O-N 3.43Å; K60-A64 WeakPolarHBondContact O-CB 3.44Å; K60-A64 PolarHBondContact O-N 3.18Å
61Q91.8Very high91.5Very high72 Ų7255.7 Ų55.734%0.33627%0.272SS..Hα-helixtrans-63.6-47.3177.6-177.8-179-12.400111.2I57 L58 A64 A65I57-Q61 PolarHBondContact O-N 3.46Å; L58-Q61 PolarHBondContact O-N 2.95Å; Q61-A64 PolarHBondContact O-N 3.35Å; Q61-A65 VanDerWaalsContact O-CB 3.32Å; Q61-A65 WeakPolarHBondContact O-CB 3.24Å; Q61-A65 PolarHBondContact O-N 2.82Å
62S92.5Very high91.8Very high1 Ų157.4 Ų57.41%0.00728%0.28CS..Hα-helixtrans-63.8-43.3177.5-70.20000112.1G10 L58 A65 L66G10-S62 PolarHBondContact O-OG 3.12Å; L58-S62 WeakPolarHBondContact O-CB 3.26Å; L58-S62 PolarHBondContact O-N 3.21Å; L58-S62 PolarHBondContact O-OG 3.09Å; S62-A65 PolarHBondContact O-N 3.5Å; S62-L66 VanDerWaalsContact O-CB 3.23Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.3Å
63H93Very high92.2Very high34 Ų3449.5 Ų49.516%0.15725%0.246CC..Hα-helixtrans-59.3-49.8174.3178.365.1000111.6L28 S32 L46 L59 A65 L66 T67L28-H63 HydrophobicContact CD1-CB 4.07Å; S32-H63 PolarHBondContact OG-ND1 2.94Å; L46-H63 HydrophobicContact CD1-CB 4.44Å; L46-H63 HydrophobicContact CD2-CB 3.97Å; L59-H63 VanDerWaalsContact O-CB 3.3Å; L59-H63 WeakPolarHBondContact O-CB 3.49Å; L59-H63 PolarHBondContact O-N 3.34Å; H63-A65 VanDerWaalsContact C-N 3.33Å; H63-A65 PolarHBondContact O-N 3.34Å; H63-L66 PolarHBondContact O-N 3.1Å; H63-T67 WeakPolarHBondContact O-CG2 2.9Å; H63-T67 PolarHBondContact O-N 2.68Å; H63-T67 PolarHBondContact O-OG1 3.33Å; H63-T67 VanDerWaalsContact O-OG1 3.05Å
64A92.9Very high92.6Very high49 Ų4944.9 Ų44.941%0.40523%0.225SC..Hα-helixtrans-61.6-40.8179.300000112.3K60 Q61 T67 T68K60-A64 WeakPolarHBondContact O-CB 3.44Å; K60-A64 PolarHBondContact O-N 3.18Å; Q61-A64 PolarHBondContact O-N 3.35Å; A64-T67 WeakPolarHBondContact CA-OG1 3.38Å; A64-T67 PolarHBondContact O-OG1 2.78Å; A64-T68 WeakPolarHBondContact O-CB 3.21Å; A64-T68 PolarHBondContact O-N 3.46Å; A64-T68 PolarHBondContact O-OG1 3.49Å
65A95.3Very high92.8Very high3 Ų350.3 Ų50.33%0.02525%0.248CC..Hα-helixtrans-64.6-43.517600000111.6V7 L11 Q61 S62 H63 T68 F69V7-A65 HydrophobicContact CG1-CB 4.19Å; V7-A65 WeakPolarHBondContact O-CB 3.42Å; L11-A65 HydrophobicContact CD2-CB 4.49Å; L11-A65 HydrophobicContact CG-CB 4.2Å; Q61-A65 VanDerWaalsContact O-CB 3.32Å; Q61-A65 WeakPolarHBondContact O-CB 3.24Å; Q61-A65 PolarHBondContact O-N 2.82Å; S62-A65 PolarHBondContact O-N 3.5Å; H63-A65 VanDerWaalsContact C-N 3.33Å; H63-A65 PolarHBondContact O-N 3.34Å; A65-T68 PolarHBondContact O-N 3.16Å; A65-F69 WeakPolarHBondContact O-CB 3.33Å; A65-F69 PolarHBondContact O-N 3.18Å
66L95Very high92.8Very high1 Ų150.8 Ų50.81%0.00525%0.247CC..Hα-helixtrans-66.7-46.1179.2-171.856.6000112L11 L14 L28 L29 S62 H63 T68 F69 I70 F100L11-L66 HydrophobicContact CD2-CD1 4.26Å; L14-L66 HydrophobicContact CD1-CB 3.96Å; L14-L66 HydrophobicContact CD1-CD1 4.46Å; L14-L66 HydrophobicContact CD1-CD2 4.19Å; L14-L66 HydrophobicContact CD1-CG 4.45Å; L28-L66 HydrophobicContact CG-CD2 4.33Å; L29-L66 HydrophobicContact CB-CD2 4.46Å; L29-L66 HydrophobicContact CD1-CD1 4.14Å; L29-L66 HydrophobicContact CD1-CD2 3.97Å; L29-L66 HydrophobicContact CD1-CG 4.36Å; S62-L66 VanDerWaalsContact O-CB 3.23Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.3Å; H63-L66 PolarHBondContact O-N 3.1Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 3.17Å; L66-F69 PolarHBondContact O-N 3.3Å; L66-I70 HydrophobicContact CD1-CD1 4.44Å; L66-I70 HydrophobicContact CG-CD1 4.05Å; L66-I70 WeakPolarHBondContact O-CB 3.16Å; L66-I70 WeakPolarHBondContact O-CD1 3.47Å; L66-I70 VanDerWaalsContact O-CG1 3.23Å; L66-I70 WeakPolarHBondContact O-CG1 3.42Å; L66-I70 PolarHBondContact O-N 2.86Å; L66-F100 HydrophobicContact CD1-CD2 4.13Å; L66-F100 HydrophobicContact CD1-CE2 3.74Å
67T94.4Very high92.9Very high21 Ų2147.6 Ų47.613%0.12924%0.243CC..Hα-helixtrans-61.3-39.2175530000111.6L36 H63 A64 I70 L71L36-T67 HydrophobicContact CD1-CG2 4.4Å; L36-T67 HydrophobicContact CD2-CG2 4.29Å; L36-T67 HydrophobicContact CG-CG2 4.12Å; H63-T67 WeakPolarHBondContact O-CG2 2.9Å; H63-T67 PolarHBondContact O-N 2.68Å; H63-T67 PolarHBondContact O-OG1 3.33Å; H63-T67 VanDerWaalsContact O-OG1 3.05Å; A64-T67 WeakPolarHBondContact CA-OG1 3.38Å; A64-T67 PolarHBondContact O-OG1 2.78Å; T67-I70 PolarHBondContact O-N 2.68Å; T67-L71 VanDerWaalsContact O-CG 3.3Å; T67-L71 WeakPolarHBondContact O-CG 3.41Å; T67-L71 PolarHBondContact O-N 2.98Å
68T94.8Very high93.1Very high63 Ų6341.9 Ų41.939%0.38722%0.215SC..Hα-helixtrans-64.2-45.8176.3-57.60000111V7 A64 A65 L66 L71 E72V7-T68 HydrophobicContact CG1-CG2 4.47Å; V7-T68 HydrophobicContact CG2-CG2 3.91Å; A64-T68 WeakPolarHBondContact O-CB 3.21Å; A64-T68 PolarHBondContact O-N 3.46Å; A64-T68 PolarHBondContact O-OG1 3.49Å; A65-T68 PolarHBondContact O-N 3.16Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 3.17Å; T68-L71 PolarHBondContact O-N 3.28Å; T68-E72 WeakPolarHBondContact O-CB 3.38Å; T68-E72 PolarHBondContact O-N 2.83Å
69F96.1Very high93.3Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-62.4-43.4177.5-176.6-110.1000112.4L3 L11 A65 L66 L71 E72 A73 C86 L87 F100L3-F69 HydrophobicContact CD1-CD2 3.63Å; L3-F69 HydrophobicContact CD1-CE2 3.98Å; L3-F69 HydrophobicContact CD2-CD2 4Å; L3-F69 HydrophobicContact CG-CD2 4.41Å; L11-F69 HydrophobicContact CD1-CB 4.04Å; L11-F69 HydrophobicContact CD1-CD2 4.12Å; L11-F69 HydrophobicContact CD1-CG 4.09Å; L11-F69 HydrophobicContact CD2-CB 4.23Å; A65-F69 WeakPolarHBondContact O-CB 3.33Å; A65-F69 PolarHBondContact O-N 3.18Å; L66-F69 PolarHBondContact O-N 3.3Å; F69-L71 PolarHBondContact O-N 3.09Å; F69-E72 PolarHBondContact O-N 3.31Å; F69-A73 VanDerWaalsContact O-CB 3.27Å; F69-A73 WeakPolarHBondContact O-CB 3.37Å; F69-A73 PolarHBondContact O-N 3.41Å; F69-C86 HydrophobicContact CE2-CB 4.2Å; F69-C86 HydrophobicContact CZ-CB 4.34Å; F69-L87 HydrophobicContact CD1-CD2 4.28Å; F69-L87 HydrophobicContact CE1-CD1 4.14Å; F69-L87 HydrophobicContact CE1-CD2 3.65Å; F69-L87 HydrophobicContact CE1-CG 3.95Å; F69-L87 HydrophobicContact CZ-CD2 3.82Å; F69-L87 HydrophobicContact CZ-CG 3.93Å; F69-F100 HydrophobicContact CD1-CE1 4.14Å; F69-F100 AromaticContact CD1-CE2 3.84Å; F69-F100 HydrophobicContact CD1-CE2 3.84Å; F69-F100 AromaticContact CD1-CZ 3.45Å; F69-F100 HydrophobicContact CD1-CZ 3.45Å; F69-F100 VanDerWaalsContact CD1-CZ 3.45Å; F69-F100 HydrophobicContact CE1-CD1 4.42Å; F69-F100 AromaticContact CE1-CE1 3.65Å; F69-F100 HydrophobicContact CE1-CE1 3.65Å; F69-F100 HydrophobicContact CE1-CE2 4.09Å; F69-F100 AromaticContact CE1-CZ 3.45Å; F69-F100 HydrophobicContact CE1-CZ 3.45Å; F69-F100 VanDerWaalsContact CE1-CZ 3.45Å
70I95.6Very high93.5Very high0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-57.4-49.6175.7-70.3163.4000110.5F33 L36 L66 T67 E72 A73 V74 F100 I111F33-I70 HydrophobicContact CD1-CD1 4.41Å; F33-I70 HydrophobicContact CD1-CG2 4.14Å; F33-I70 HydrophobicContact CD2-CD1 3.96Å; F33-I70 HydrophobicContact CE1-CD1 4.18Å; F33-I70 HydrophobicContact CE1-CG1 4.25Å; F33-I70 HydrophobicContact CE1-CG2 3.55Å; F33-I70 HydrophobicContact CE2-CD1 3.72Å; F33-I70 HydrophobicContact CE2-CG1 4.16Å; F33-I70 HydrophobicContact CG-CD1 4.29Å; F33-I70 HydrophobicContact CZ-CD1 3.82Å; F33-I70 HydrophobicContact CZ-CG1 3.82Å; F33-I70 HydrophobicContact CZ-CG2 3.96Å; L36-I70 HydrophobicContact CD1-CB 4.02Å; L36-I70 HydrophobicContact CD1-CD1 4.43Å; L36-I70 HydrophobicContact CD1-CG2 3.6Å; L66-I70 HydrophobicContact CD1-CD1 4.44Å; L66-I70 HydrophobicContact CG-CD1 4.05Å; L66-I70 WeakPolarHBondContact O-CB 3.16Å; L66-I70 WeakPolarHBondContact O-CD1 3.47Å; L66-I70 VanDerWaalsContact O-CG1 3.23Å; L66-I70 WeakPolarHBondContact O-CG1 3.42Å; L66-I70 PolarHBondContact O-N 2.86Å; T67-I70 PolarHBondContact O-N 2.68Å; I70-E72 PolarHBondContact O-N 3.41Å; I70-A73 PolarHBondContact O-N 2.98Å; I70-V74 WeakPolarHBondContact O-CG2 3.48Å; I70-V74 PolarHBondContact O-N 2.63Å; I70-F100 HydrophobicContact CG1-CE2 3.88Å; I70-F100 HydrophobicContact CG1-CZ 3.97Å; I70-I111 HydrophobicContact CG2-CD1 3.52Å
71L93.9Very high93.7Very high52 Ų5244 Ų4427%0.27223%0.234SC..Hα-helixtrans-63.2-42179.8-70.2172.5000112L36 T67 T68 F69 V74 K75 I111 L115L36-L71 HydrophobicContact CD1-CD2 4.21Å; L36-L71 HydrophobicContact CD1-CG 4.13Å; L36-L71 HydrophobicContact CD2-CD1 3.86Å; L36-L71 HydrophobicContact CD2-CD2 4.04Å; L36-L71 HydrophobicContact CD2-CG 3.98Å; T67-L71 VanDerWaalsContact O-CG 3.3Å; T67-L71 WeakPolarHBondContact O-CG 3.41Å; T67-L71 PolarHBondContact O-N 2.98Å; T68-L71 PolarHBondContact O-N 3.28Å; F69-L71 PolarHBondContact O-N 3.09Å; L71-V74 PolarHBondContact O-N 3.46Å; L71-K75 WeakPolarHBondContact O-CB 3.36Å; L71-K75 PolarHBondContact O-N 2.93Å; L71-I111 HydrophobicContact CD2-CG2 4.04Å; L71-L115 HydrophobicContact CD2-CD2 4.1Å
72E93.8Very high93.7Very high40 Ų4043.2 Ų43.219%0.18723%0.234CC..Hα-helixtrans-67.5-39.1179.4-169.369.1175.800111.9M1 L3 T68 F69 I70 K75 H76M1-E72 HydrophobicContact CB-CG 4.25Å; M1-E72 HydrophobicContact CG-CG 4.08Å; M1-E72 HydrophobicContact SD-CB 4.5Å; M1-E72 HydrophobicContact SD-CG 4.09Å; L3-E72 HydrophobicContact CD2-CG 4.41Å; T68-E72 WeakPolarHBondContact O-CB 3.38Å; T68-E72 PolarHBondContact O-N 2.83Å; F69-E72 PolarHBondContact O-N 3.31Å; I70-E72 PolarHBondContact O-N 3.41Å; E72-K75 PolarHBondContact O-N 2.85Å; E72-K75 IonicContact OE2-NZ 3.86Å; E72-K75 PolarHBondContact OE2-NZ 3.04Å; E72-H76 PolarHBondContact O-N 3.16Å; E72-H76 PolarHBondContact O-ND1 2.8Å; E72-H76 IonicContact OE1-CE1 3.98Å; E72-H76 PolarHBondContact OE1-CE1 3.07Å; E72-H76 IonicContact OE1-ND1 3.7Å; E72-H76 PolarHBondContact OE1-ND1 3.46Å; E72-H76 IonicContact OE1-NE2 3.9Å; E72-H76 IonicContact OE2-CE1 3.62Å; E72-H76 IonicContact OE2-ND1 2.69Å
73A94.9Very high93.9Very high0 Ų043.2 Ų43.20%023%0.234CC..Hα-helixtrans-62.8-45.7175.100000111.7M1 F69 I70 N77 A78 Y104M1-A73 HydrophobicContact CE-CB 4.49Å; M1-A73 VanDerWaalsContact SD-CA 3.54Å; M1-A73 HydrophobicContact SD-CB 4.15Å; F69-A73 VanDerWaalsContact O-CB 3.27Å; F69-A73 WeakPolarHBondContact O-CB 3.37Å; F69-A73 PolarHBondContact O-N 3.41Å; I70-A73 PolarHBondContact O-N 2.98Å; A73-N77 PolarHBondContact O-N 3.11Å; A73-A78 HydrophobicContact CB-CB 4.18Å; A73-A78 WeakPolarHBondContact O-CB 3.48Å; A73-A78 PolarHBondContact O-N 2.8Å; A73-Y104 HydrophobicContact CB-CE2 3.89Å; A73-Y104 PolarHBondContact O-OH 3.31Å
74V93.8Very high94Very high6 Ų642.5 Ų42.54%0.03623%0.233CC..Hα-helixtrans-66.3-44.8176.2178.80000111I70 L71 H76 N77 Y104 I111 E112 L115I70-V74 WeakPolarHBondContact O-CG2 3.48Å; I70-V74 PolarHBondContact O-N 2.63Å; L71-V74 PolarHBondContact O-N 3.46Å; V74-H76 VanDerWaalsContact C-N 3.27Å; V74-H76 PolarHBondContact O-N 3.49Å; V74-N77 PolarHBondContact O-N 2.95Å; V74-Y104 HydrophobicContact CB-CE2 4.48Å; V74-Y104 HydrophobicContact CG2-CD2 4.18Å; V74-Y104 HydrophobicContact CG2-CE2 3.5Å; V74-I111 HydrophobicContact CB-CG2 4Å; V74-I111 HydrophobicContact CG1-CB 4.26Å; V74-I111 HydrophobicContact CG1-CG2 3.91Å; V74-I111 HydrophobicContact CG2-CB 4.06Å; V74-I111 HydrophobicContact CG2-CD1 4.27Å; V74-I111 HydrophobicContact CG2-CG2 3.83Å; V74-E112 HydrophobicContact CG1-CB 4.34Å; V74-E112 HydrophobicContact CG1-CG 3.42Å; V74-E112 VanDerWaalsContact CG1-CG 3.42Å; V74-L115 HydrophobicContact CB-CD1 4.15Å; V74-L115 HydrophobicContact CG1-CD1 3.82Å
75K90.9Very high94.1Very high140 Ų14042.9 Ų42.961%0.60923%0.233SC*.Hα-helixtrans-57.1-38.6178.9176.1-174.4162.5-159.20112.7L71 E72 N77L71-K75 WeakPolarHBondContact O-CB 3.36Å; L71-K75 PolarHBondContact O-N 2.93Å; E72-K75 PolarHBondContact O-N 2.85Å; E72-K75 IonicContact OE2-NZ 3.86Å; E72-K75 PolarHBondContact OE2-NZ 3.04Å; K75-N77 VanDerWaalsContact C-N 3.3Å
76H90.9Very high94Very high95 Ų9543.7 Ų43.744%0.4424%0.238SC..THydrogen-bonded Turntrans-87.74.6177.8-70.882.2000113.7M1 E72 V74 A78M1-H76 HydrophobicContact CG-CB 4.17Å; M1-H76 HydrophobicContact SD-CB 4.49Å; E72-H76 PolarHBondContact O-N 3.16Å; E72-H76 PolarHBondContact O-ND1 2.8Å; E72-H76 IonicContact OE1-CE1 3.98Å; E72-H76 PolarHBondContact OE1-CE1 3.07Å; E72-H76 IonicContact OE1-ND1 3.7Å; E72-H76 PolarHBondContact OE1-ND1 3.46Å; E72-H76 IonicContact OE1-NE2 3.9Å; E72-H76 IonicContact OE2-CE1 3.62Å; E72-H76 IonicContact OE2-ND1 2.69Å; V74-H76 VanDerWaalsContact C-N 3.27Å; V74-H76 PolarHBondContact O-N 3.49Å; H76-A78 PolarHBondContact O-N 3.42Å
77N91.1Very high94Very high104 Ų10443.7 Ų43.756%0.55624%0.238SC*.THydrogen-bonded Turntrans50.240.9-173.5-172.533.2000111.8A73 V74 K75 D79 K108A73-N77 PolarHBondContact O-N 3.11Å; V74-N77 PolarHBondContact O-N 2.95Å; K75-N77 VanDerWaalsContact C-N 3.3Å; N77-D79 PolarHBondContact O-N 2.91Å; N77-K108 WeakPolarHBondContact OD1-CE 3.45Å; N77-K108 PolarHBondContact OD1-NZ 3.18Å
78A93.5Very high94Very high5 Ų548 Ų484%0.04126%0.256CS..  trans-61133.8-171.100000111.3M1 A73 H76 T82 I83 Y104M1-A78 HydrophobicContact CE-CB 3.56Å; M1-A78 HydrophobicContact SD-CB 4.26Å; A73-A78 HydrophobicContact CB-CB 4.18Å; A73-A78 WeakPolarHBondContact O-CB 3.48Å; A73-A78 PolarHBondContact O-N 2.8Å; H76-A78 PolarHBondContact O-N 3.42Å; A78-T82 HydrophobicContact CB-CG2 4.4Å; A78-I83 HydrophobicContact CB-CD1 4.19Å; A78-I83 HydrophobicContact CB-CG1 3.87Å; A78-Y104 PolarHBondContact O-OH 2.86Å
79D93.6Very high93.9Very high81 Ų8151.9 Ų51.943%0.43327%0.27SS..  trans-88.3176175.868.63.9000111.7N77 S81 T82 I83N77-D79 PolarHBondContact O-N 2.91Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 PolarHBondContact O-N 3.38Å; D79-S81 PolarHBondContact OD1-N 3.32Å; D79-S81 PolarHBondContact OD1-OG 3Å; D79-S81 PolarHBondContact OD2-OG 3.49Å; D79-T82 PolarHBondContact O-N 2.82Å; D79-T82 VanDerWaalsContact OD1-CB 3.24Å; D79-T82 WeakPolarHBondContact OD1-CB 3.37Å; D79-T82 PolarHBondContact OD1-N 2.96Å; D79-T82 PolarHBondContact OD1-OG1 3.29Å; D79-I83 WeakPolarHBondContact O-CG1 3.29Å; D79-I83 PolarHBondContact O-N 3.48Å
80K94.4Very high93.7Very high80 Ų8052.3 Ų52.335%0.34827%0.273SS..Hα-helixtrans-58.5-45.1-177.7-168.8171.8-179.6172.20111.7T82 I83 S84 E98 F101K80-T82 PolarHBondContact O-N 3.29Å; K80-I83 PolarHBondContact O-N 3.25Å; K80-S84 VanDerWaalsContact O-CB 3.3Å; K80-S84 WeakPolarHBondContact O-CB 3.5Å; K80-S84 PolarHBondContact O-N 2.82Å; K80-S84 PolarHBondContact O-OG 3.4Å; K80-S84 VanDerWaalsContact O-OG 3.1Å; K80-E98 WeakPolarHBondContact CE-OE1 3.35Å; K80-E98 IonicContact NZ-OE1 3.42Å; K80-E98 PolarHBondContact NZ-OE1 2.93Å; K80-E98 IonicContact NZ-OE2 3.41Å; K80-E98 PolarHBondContact NZ-OE2 3.11Å; K80-F101 VanDerWaalsContact CA-CE2 3.42Å; K80-F101 HydrophobicContact CB-CD2 4.06Å; K80-F101 HydrophobicContact CB-CE1 4.07Å; K80-F101 HydrophobicContact CB-CE2 3.54Å; K80-F101 HydrophobicContact CB-CZ 3.55Å; K80-F101 HydrophobicContact CD-CD1 3.89Å; K80-F101 HydrophobicContact CD-CE1 3.81Å; K80-F101 HydrophobicContact CD-CG 4.35Å; K80-F101 HydrophobicContact CD-CZ 4.2Å; K80-F101 HydrophobicContact CG-CD1 4.03Å; K80-F101 HydrophobicContact CG-CD2 3.95Å; K80-F101 HydrophobicContact CG-CE1 4Å; K80-F101 HydrophobicContact CG-CE2 3.92Å; K80-F101 HydrophobicContact CG-CG 4.01Å; K80-F101 HydrophobicContact CG-CZ 3.95Å
81S94.4Very high93.6Very high76 Ų7657.2 Ų57.253%0.53130%0.303SS..Hα-helixtrans-58.9-46.2178.923.90000112.6D79 S84 S85D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 PolarHBondContact O-N 3.38Å; D79-S81 PolarHBondContact OD1-N 3.32Å; D79-S81 PolarHBondContact OD1-OG 3Å; D79-S81 PolarHBondContact OD2-OG 3.49Å; S81-S84 PolarHBondContact O-N 2.89Å; S81-S85 WeakPolarHBondContact O-CB 3.4Å; S81-S85 PolarHBondContact O-N 3.21Å
82T93.8Very high93.7Very high57 Ų5755.3 Ų55.335%0.3529%0.292SS..Hα-helixtrans-65.2-44.4-179.6-52.60000110.8M1 A78 D79 K80 C86M1-T82 HydrophobicContact CE-CG2 3.62Å; A78-T82 HydrophobicContact CB-CG2 4.4Å; D79-T82 PolarHBondContact O-N 2.82Å; D79-T82 VanDerWaalsContact OD1-CB 3.24Å; D79-T82 WeakPolarHBondContact OD1-CB 3.37Å; D79-T82 PolarHBondContact OD1-N 2.96Å; D79-T82 PolarHBondContact OD1-OG1 3.29Å; K80-T82 PolarHBondContact O-N 3.29Å; T82-C86 PolarHBondContact O-N 2.68Å; T82-C86 VanDerWaalsContact O-N 3.09Å; T82-C86 PolarHBondContact O-SG 2.88Å; T82-C86 VanDerWaalsContact O-SG 3.41Å
83I95.2Very high93.7Very high0 Ų055 Ų550%029%0.294CS..Hα-helixtrans-64.6-46.8178.3-69169.4000110.8A78 D79 K80 C86 L87 F100 F101 Y104A78-I83 HydrophobicContact CB-CD1 4.19Å; A78-I83 HydrophobicContact CB-CG1 3.87Å; D79-I83 WeakPolarHBondContact O-CG1 3.29Å; D79-I83 PolarHBondContact O-N 3.48Å; K80-I83 PolarHBondContact O-N 3.25Å; I83-C86 PolarHBondContact O-N 3.02Å; I83-L87 HydrophobicContact CG2-CD1 3.8Å; I83-L87 HydrophobicContact CG2-CG 4.42Å; I83-L87 WeakPolarHBondContact O-CB 3.34Å; I83-L87 WeakPolarHBondContact O-CG 3.24Å; I83-L87 PolarHBondContact O-N 3.43Å; I83-F100 HydrophobicContact CD1-CE1 4.49Å; I83-F100 HydrophobicContact CG2-CD1 3.7Å; I83-F100 HydrophobicContact CG2-CE1 3.79Å; I83-F101 HydrophobicContact CD1-CD2 3.96Å; I83-F101 HydrophobicContact CD1-CE2 4.2Å; I83-Y104 HydrophobicContact CD1-CD1 3.69Å; I83-Y104 HydrophobicContact CD1-CD2 4.48Å; I83-Y104 HydrophobicContact CD1-CE1 3.52Å; I83-Y104 HydrophobicContact CD1-CE2 4.35Å; I83-Y104 HydrophobicContact CD1-CG 4.17Å
84S95.4Very high93.6Very high20 Ų2059.5 Ų59.514%0.1432%0.322CS..Hα-helixtrans-58-51.2177.4-720000111.3K80 S81 C86 L87 E88 I97K80-S84 VanDerWaalsContact O-CB 3.3Å; K80-S84 WeakPolarHBondContact O-CB 3.5Å; K80-S84 PolarHBondContact O-N 2.82Å; K80-S84 PolarHBondContact O-OG 3.4Å; K80-S84 VanDerWaalsContact O-OG 3.1Å; S81-S84 PolarHBondContact O-N 2.89Å; S84-C86 PolarHBondContact O-N 3.06Å; S84-L87 PolarHBondContact O-N 3.1Å; S84-E88 WeakPolarHBondContact O-CB 3.37Å; S84-E88 WeakPolarHBondContact O-CG 3.31Å; S84-E88 PolarHBondContact O-N 3.32Å; S84-I97 WeakPolarHBondContact OG-CG2 3.44Å
85S94.4Very high93.6Very high57 Ų5764.6 Ų64.640%0.39935%0.349SS..Hα-helixtrans-58.3-47.1179.6-167.70000112S81 L87 E88 E89S81-S85 WeakPolarHBondContact O-CB 3.4Å; S81-S85 PolarHBondContact O-N 3.21Å; S85-L87 PolarHBondContact O-N 3.47Å; S85-E88 PolarHBondContact O-N 3.47Å; S85-E89 WeakPolarHBondContact O-CG 3.32Å; S85-E89 PolarHBondContact O-N 3.39Å; S85-E89 VanDerWaalsContact O-N 3.11Å
86C93.6Very high93.7Very high19 Ų1958.2 Ų58.213%0.12832%0.321CS..Hα-helixtrans-64.2-38.6179.2-73.20000112.9F69 T82 I83 S84 L90F69-C86 HydrophobicContact CE2-CB 4.2Å; F69-C86 HydrophobicContact CZ-CB 4.34Å; T82-C86 PolarHBondContact O-N 2.68Å; T82-C86 VanDerWaalsContact O-N 3.09Å; T82-C86 PolarHBondContact O-SG 2.88Å; T82-C86 VanDerWaalsContact O-SG 3.41Å; I83-C86 PolarHBondContact O-N 3.02Å; S84-C86 PolarHBondContact O-N 3.06Å; C86-L90 WeakPolarHBondContact O-CG 3.18Å
87L94.6Very high93.9Very high2 Ų253.8 Ų53.81%0.0130%0.301CS..Hα-helixtrans-77.2-33.4179.8-68.9178.6000112.3F69 I83 S84 S85 L90 T91 F92 I97 F100F69-L87 HydrophobicContact CD1-CD2 4.28Å; F69-L87 HydrophobicContact CE1-CD1 4.14Å; F69-L87 HydrophobicContact CE1-CD2 3.65Å; F69-L87 HydrophobicContact CE1-CG 3.95Å; F69-L87 HydrophobicContact CZ-CD2 3.82Å; F69-L87 HydrophobicContact CZ-CG 3.93Å; I83-L87 HydrophobicContact CG2-CD1 3.8Å; I83-L87 HydrophobicContact CG2-CG 4.42Å; I83-L87 WeakPolarHBondContact O-CB 3.34Å; I83-L87 WeakPolarHBondContact O-CG 3.24Å; I83-L87 PolarHBondContact O-N 3.43Å; S84-L87 PolarHBondContact O-N 3.1Å; S85-L87 PolarHBondContact O-N 3.47Å; L87-L90 CarbonylContact O-C 3.59Å; L87-L90 WeakPolarHBondContact O-CA 3.3Å; L87-L90 PolarHBondContact O-N 2.83Å; L87-L90 VanDerWaalsContact O-N 3.12Å; L87-T91 PolarHBondContact O-N 2.94Å; L87-F92 HydrophobicContact CB-CB 4.02Å; L87-F92 HydrophobicContact CB-CD2 4.24Å; L87-F92 HydrophobicContact CB-CG 4.06Å; L87-F92 HydrophobicContact CD2-CD1 4.39Å; L87-F92 HydrophobicContact CD2-CD2 4.08Å; L87-F92 HydrophobicContact CD2-CE1 4.34Å; L87-F92 HydrophobicContact CD2-CE2 4.01Å; L87-F92 HydrophobicContact CD2-CG 4.29Å; L87-F92 HydrophobicContact CD2-CZ 4.15Å; L87-F92 WeakPolarHBondContact O-CB 3.31Å; L87-F92 WeakPolarHBondContact O-CD2 3.24Å; L87-F92 PolarHBondContact O-N 3.07Å; L87-I97 HydrophobicContact CB-CD1 4.05Å; L87-I97 HydrophobicContact CB-CG1 3.88Å; L87-I97 HydrophobicContact CD1-CG1 4.18Å; L87-I97 HydrophobicContact CD1-CG2 4.49Å; L87-F100 HydrophobicContact CD1-CB 4.23Å; L87-F100 HydrophobicContact CD1-CD1 3.92Å; L87-F100 HydrophobicContact CD1-CG 4Å
88E94.7Very high94.2Very high111 Ų11152.8 Ų52.852%0.51929%0.293SS..Hα-helixtrans-63.8-41.3174.2-75.8169.3-16800111.6S84 S85 L90 T91 I97S84-E88 WeakPolarHBondContact O-CB 3.37Å; S84-E88 WeakPolarHBondContact O-CG 3.31Å; S84-E88 PolarHBondContact O-N 3.32Å; S85-E88 PolarHBondContact O-N 3.47Å; E88-L90 PolarHBondContact O-N 2.84Å; E88-T91 WeakPolarHBondContact O-CA 3.21Å; E88-T91 PolarHBondContact O-N 2.63Å; E88-I97 HydrophobicContact CG-CD1 3.56Å
89E93Very high94.2Very high145 Ų14554 Ų5468%0.67830%0.298SS*.Hα-helixtrans-59.3-27.6172.4-75173.3-165.200112.7S85 T91S85-E89 WeakPolarHBondContact O-CG 3.32Å; S85-E89 PolarHBondContact O-N 3.39Å; S85-E89 VanDerWaalsContact O-N 3.11Å; E89-T91 VanDerWaalsContact C-N 3.3Å
90L92.3Very high94.4Very high9 Ų950.1 Ų50.15%0.04728%0.277CS..THydrogen-bonded Turntrans-94.617.9176.2-58.4171.1000112.8L3 Q8 L11 Q12 A15 C86 L87 E88 F92L3-L90 HydrophobicContact CD1-CD1 4.31Å; Q8-L90 HydrophobicContact CB-CD2 3.9Å; Q8-L90 HydrophobicContact CG-CD2 4.11Å; L11-L90 HydrophobicContact CB-CD1 3.82Å; L11-L90 HydrophobicContact CD1-CD1 3.52Å; L11-L90 HydrophobicContact CG-CD1 4.33Å; Q12-L90 HydrophobicContact CG-CB 4.33Å; Q12-L90 HydrophobicContact CG-CD2 4.08Å; A15-L90 WeakPolarHBondContact CB-O 3.49Å; C86-L90 WeakPolarHBondContact O-CG 3.18Å; L87-L90 CarbonylContact O-C 3.59Å; L87-L90 WeakPolarHBondContact O-CA 3.3Å; L87-L90 PolarHBondContact O-N 2.83Å; L87-L90 VanDerWaalsContact O-N 3.12Å; E88-L90 PolarHBondContact O-N 2.84Å; L90-F92 VanDerWaalsContact C-N 3.33Å; L90-F92 HydrophobicContact CB-CD2 4Å; L90-F92 HydrophobicContact CB-CE2 4.11Å; L90-F92 PolarHBondContact O-N 3.04Å
91T93.9Very high94.4Very high103 Ų10347.7 Ų47.763%0.63227%0.267SS*.THydrogen-bonded Turntrans64.822.6175.469.70000116.1L87 E88 E89L87-T91 PolarHBondContact O-N 2.94Å; E88-T91 WeakPolarHBondContact O-CA 3.21Å; E88-T91 PolarHBondContact O-N 2.63Å; E89-T91 VanDerWaalsContact C-N 3.3Å
92F94.7Very high94.5Very high12 Ų1247.2 Ų47.25%0.05326%0.263CS..  trans-67.8137.3174-79.4-115.1000111.5L11 L14 A15 F25 L87 L90 R96 I97L11-F92 HydrophobicContact CB-CE2 4.18Å; L11-F92 HydrophobicContact CB-CZ 4.43Å; L11-F92 WeakPolarHBondContact O-CE2 3.26Å; L11-F92 WeakPolarHBondContact O-CZ 3.42Å; L14-F92 HydrophobicContact CB-CE1 4.38Å; L14-F92 HydrophobicContact CB-CZ 3.84Å; A15-F92 HydrophobicContact CB-CD2 3.54Å; A15-F92 HydrophobicContact CB-CE2 3.69Å; A15-F92 HydrophobicContact CB-CG 4.08Å; A15-F92 HydrophobicContact CB-CZ 4.35Å; F25-F92 AromaticContact CE2-CE1 3.87Å; F25-F92 HydrophobicContact CE2-CE1 3.87Å; F25-F92 HydrophobicContact CZ-CE1 4.25Å; L87-F92 HydrophobicContact CB-CB 4.02Å; L87-F92 HydrophobicContact CB-CD2 4.24Å; L87-F92 HydrophobicContact CB-CG 4.06Å; L87-F92 HydrophobicContact CD2-CD1 4.39Å; L87-F92 HydrophobicContact CD2-CD2 4.08Å; L87-F92 HydrophobicContact CD2-CE1 4.34Å; L87-F92 HydrophobicContact CD2-CE2 4.01Å; L87-F92 HydrophobicContact CD2-CG 4.29Å; L87-F92 HydrophobicContact CD2-CZ 4.15Å; L87-F92 WeakPolarHBondContact O-CB 3.31Å; L87-F92 WeakPolarHBondContact O-CD2 3.24Å; L87-F92 PolarHBondContact O-N 3.07Å; L90-F92 VanDerWaalsContact C-N 3.33Å; L90-F92 HydrophobicContact CB-CD2 4Å; L90-F92 HydrophobicContact CB-CE2 4.11Å; L90-F92 PolarHBondContact O-N 3.04Å; F92-R96 HydrophobicContact CD1-CB 3.97Å; F92-I97 HydrophobicContact CB-CD1 4.05Å; F92-I97 HydrophobicContact CB-CG1 3.77Å
93S93.8Very high94.6Very high32 Ų3245.3 Ų45.322%0.22425%0.251CS..  trans-69.2147.816957.50000111.6D95 R96 I97S93-D95 PolarHBondContact O-N 3.43Å; S93-D95 VanDerWaalsContact O-N 3.12Å; S93-R96 PolarHBondContact O-N 3.46Å; S93-R96 WeakPolarHBondContact OG-CG 3.37Å; S93-I97 PolarHBondContact O-N 3.49Å
94T93.3Very high94.6Very high95 Ų9545.4 Ų45.458%0.58325%0.252SS*.Hα-helixtrans-49.5-40.9177.5-46.50000113.3R96 I97 E98T94-R96 PolarHBondContact O-N 2.78Å; T94-I97 WeakPolarHBondContact O-CB 3.29Å; T94-I97 PolarHBondContact O-N 2.99Å; T94-E98 PolarHBondContact O-N 3.49Å
95D93.6Very high94.6Very high113 Ų11350.6 Ų50.660%0.60427%0.274SS*.Hα-helixtrans-60.2-42.1178.2-63.9-15.9000112.8S93 I97 E98 I99S93-D95 PolarHBondContact O-N 3.43Å; S93-D95 VanDerWaalsContact O-N 3.12Å; D95-I97 VanDerWaalsContact C-N 3.34Å; D95-E98 PolarHBondContact O-N 3.08Å; D95-I99 WeakPolarHBondContact O-CD1 3.5Å; D95-I99 VanDerWaalsContact O-CG1 3.28Å; D95-I99 WeakPolarHBondContact O-CG1 3.5Å; D95-I99 PolarHBondContact O-N 3.06Å; D95-I99 VanDerWaalsContact O-N 3.07Å
96R94.1Very high94.7Very high6 Ų655.1 Ų55.12%0.02329%0.287CS..Hα-helixtrans-69.3-35177.7-71.9-173.9-175.3-159.5-3.9111.5L14 A15 V20 F25 F92 S93 T94 I99 F100L14-R96 PolarHBondContact O-NH1 2.86Å; A15-R96 PolarHBondContact O-NH1 3.43Å; V20-R96 PolarHBondContact O-NH1 3.49Å; V20-R96 PolarHBondContact O-NH2 2.94Å; F25-R96 HydrophobicContact CD1-CB 4.37Å; F25-R96 HydrophobicContact CD1-CG 3.94Å; F25-R96 HydrophobicContact CE1-CB 3.8Å; F25-R96 HydrophobicContact CE1-CG 3.89Å; F25-R96 HydrophobicContact CG-CG 4.38Å; F25-R96 HydrophobicContact CZ-CB 3.96Å; F25-R96 HydrophobicContact CZ-CG 4.31Å; F92-R96 HydrophobicContact CD1-CB 3.97Å; S93-R96 PolarHBondContact O-N 3.46Å; S93-R96 WeakPolarHBondContact OG-CG 3.37Å; T94-R96 PolarHBondContact O-N 2.78Å; R96-I99 PolarHBondContact O-N 3.21Å; R96-F100 WeakPolarHBondContact O-CB 3.33Å; R96-F100 PolarHBondContact O-N 2.88Å
97I95.4Very high94.8Very high3 Ų356 Ų562%0.01529%0.288CS..Hα-helixtrans-66.1-44.2176.9-63.1174.7000110.2S84 L87 E88 F92 S93 T94 D95 F100 F101S84-I97 WeakPolarHBondContact OG-CG2 3.44Å; L87-I97 HydrophobicContact CB-CD1 4.05Å; L87-I97 HydrophobicContact CB-CG1 3.88Å; L87-I97 HydrophobicContact CD1-CG1 4.18Å; L87-I97 HydrophobicContact CD1-CG2 4.49Å; E88-I97 HydrophobicContact CG-CD1 3.56Å; F92-I97 HydrophobicContact CB-CD1 4.05Å; F92-I97 HydrophobicContact CB-CG1 3.77Å; S93-I97 PolarHBondContact O-N 3.49Å; T94-I97 WeakPolarHBondContact O-CB 3.29Å; T94-I97 PolarHBondContact O-N 2.99Å; D95-I97 VanDerWaalsContact C-N 3.34Å; I97-F100 PolarHBondContact O-N 3.46Å; I97-F101 VanDerWaalsContact O-CB 3.31Å; I97-F101 WeakPolarHBondContact O-CB 3.19Å; I97-F101 PolarHBondContact O-N 3.45Å
98E95.8Very high94.8Very high83 Ų8358 Ų5839%0.38830%0.297SS..Hα-helixtrans-63.7-41.3175.9-71.4-62.9155.700112.2K80 T94 D95 F101 S102K80-E98 WeakPolarHBondContact CE-OE1 3.35Å; K80-E98 IonicContact NZ-OE1 3.42Å; K80-E98 PolarHBondContact NZ-OE1 2.93Å; K80-E98 IonicContact NZ-OE2 3.41Å; K80-E98 PolarHBondContact NZ-OE2 3.11Å; T94-E98 PolarHBondContact O-N 3.49Å; D95-E98 PolarHBondContact O-N 3.08Å; E98-F101 PolarHBondContact O-N 2.91Å; E98-S102 WeakPolarHBondContact O-CB 3.21Å; E98-S102 PolarHBondContact O-N 3.43Å; E98-S102 PolarHBondContact O-OG 3.04Å
99I95.3Very high94.7Very high29 Ų2960.6 Ų60.615%0.14931%0.307CS..Hα-helixtrans-62.6-45.3174.2-71.1165.4000111.1H22 F25 Q26 L29 D95 R96 S102 T103H22-I99 WeakPolarHBondContact CE1-CD1 3.23Å; F25-I99 HydrophobicContact CD1-CG2 4.34Å; F25-I99 HydrophobicContact CE1-CB 4.22Å; F25-I99 HydrophobicContact CE1-CG2 3.86Å; Q26-I99 HydrophobicContact CG-CD1 4.42Å; Q26-I99 HydrophobicContact CG-CG2 4.05Å; L29-I99 HydrophobicContact CD2-CG2 3.9Å; D95-I99 WeakPolarHBondContact O-CD1 3.5Å; D95-I99 VanDerWaalsContact O-CG1 3.28Å; D95-I99 WeakPolarHBondContact O-CG1 3.5Å; D95-I99 PolarHBondContact O-N 3.06Å; D95-I99 VanDerWaalsContact O-N 3.07Å; R96-I99 PolarHBondContact O-N 3.21Å; I99-S102 WeakPolarHBondContact CA-OG 3.45Å; I99-S102 PolarHBondContact O-OG 3.34Å; I99-T103 WeakPolarHBondContact O-CB 3.28Å; I99-T103 PolarHBondContact O-N 2.93Å; I99-T103 VanDerWaalsContact O-N 3.16Å; I99-T103 PolarHBondContact O-OG1 3.48Å
100F96.2Very high94.8Very high1 Ų157.6 Ų57.60%0.00430%0.295CS..Hα-helixtrans-59.6-51.2176.1-179.4-85.7000110.8L29 L66 F69 I70 I83 L87 R96 I97 S102 T103 Y104L29-F100 HydrophobicContact CD1-CD2 3.52Å; L29-F100 HydrophobicContact CD1-CE2 3.88Å; L66-F100 HydrophobicContact CD1-CD2 4.13Å; L66-F100 HydrophobicContact CD1-CE2 3.74Å; F69-F100 HydrophobicContact CD1-CE1 4.14Å; F69-F100 AromaticContact CD1-CE2 3.84Å; F69-F100 HydrophobicContact CD1-CE2 3.84Å; F69-F100 AromaticContact CD1-CZ 3.45Å; F69-F100 HydrophobicContact CD1-CZ 3.45Å; F69-F100 VanDerWaalsContact CD1-CZ 3.45Å; F69-F100 HydrophobicContact CE1-CD1 4.42Å; F69-F100 AromaticContact CE1-CE1 3.65Å; F69-F100 HydrophobicContact CE1-CE1 3.65Å; F69-F100 HydrophobicContact CE1-CE2 4.09Å; F69-F100 AromaticContact CE1-CZ 3.45Å; F69-F100 HydrophobicContact CE1-CZ 3.45Å; F69-F100 VanDerWaalsContact CE1-CZ 3.45Å; I70-F100 HydrophobicContact CG1-CE2 3.88Å; I70-F100 HydrophobicContact CG1-CZ 3.97Å; I83-F100 HydrophobicContact CD1-CE1 4.49Å; I83-F100 HydrophobicContact CG2-CD1 3.7Å; I83-F100 HydrophobicContact CG2-CE1 3.79Å; L87-F100 HydrophobicContact CD1-CB 4.23Å; L87-F100 HydrophobicContact CD1-CD1 3.92Å; L87-F100 HydrophobicContact CD1-CG 4Å; R96-F100 WeakPolarHBondContact O-CB 3.33Å; R96-F100 PolarHBondContact O-N 2.88Å; I97-F100 PolarHBondContact O-N 3.46Å; F100-S102 PolarHBondContact O-N 2.87Å; F100-T103 PolarHBondContact O-N 3.47Å; F100-Y104 VanDerWaalsContact O-CB 3.29Å; F100-Y104 WeakPolarHBondContact O-CB 3.3Å; F100-Y104 PolarHBondContact O-N 3.01Å
101F96.1Very high94.8Very high29 Ų2957.1 Ų57.113%0.12729%0.293CS..Hα-helixtrans-65.4-41.5-175-175.5-99.9000112.5K80 I83 I97 E98 T103 Y104 Q105K80-F101 VanDerWaalsContact CA-CE2 3.42Å; K80-F101 HydrophobicContact CB-CD2 4.06Å; K80-F101 HydrophobicContact CB-CE1 4.07Å; K80-F101 HydrophobicContact CB-CE2 3.54Å; K80-F101 HydrophobicContact CB-CZ 3.55Å; K80-F101 HydrophobicContact CD-CD1 3.89Å; K80-F101 HydrophobicContact CD-CE1 3.81Å; K80-F101 HydrophobicContact CD-CG 4.35Å; K80-F101 HydrophobicContact CD-CZ 4.2Å; K80-F101 HydrophobicContact CG-CD1 4.03Å; K80-F101 HydrophobicContact CG-CD2 3.95Å; K80-F101 HydrophobicContact CG-CE1 4Å; K80-F101 HydrophobicContact CG-CE2 3.92Å; K80-F101 HydrophobicContact CG-CG 4.01Å; K80-F101 HydrophobicContact CG-CZ 3.95Å; I83-F101 HydrophobicContact CD1-CD2 3.96Å; I83-F101 HydrophobicContact CD1-CE2 4.2Å; I97-F101 VanDerWaalsContact O-CB 3.31Å; I97-F101 WeakPolarHBondContact O-CB 3.19Å; I97-F101 PolarHBondContact O-N 3.45Å; E98-F101 PolarHBondContact O-N 2.91Å; F101-T103 VanDerWaalsContact C-N 3.35Å; F101-T103 PolarHBondContact O-N 3.4Å; F101-Y104 HydrophobicContact CD2-CD1 4.23Å; F101-Y104 HydrophobicContact CE2-CD1 4.22Å; F101-Y104 HydrophobicContact CE2-CE1 4.47Å; F101-Y104 PolarHBondContact O-N 2.85Å; F101-Q105 WeakPolarHBondContact O-CB 3.49Å; F101-Q105 PolarHBondContact O-N 2.92Å
102S96.3Very high94.6Very high65 Ų6555.7 Ų55.746%0.45528%0.279SS..Hα-helixtrans-62.1-41.8175.855.50000112.2E98 I99 F100 Q105 K106E98-S102 WeakPolarHBondContact O-CB 3.21Å; E98-S102 PolarHBondContact O-N 3.43Å; E98-S102 PolarHBondContact O-OG 3.04Å; I99-S102 WeakPolarHBondContact CA-OG 3.45Å; I99-S102 PolarHBondContact O-OG 3.34Å; F100-S102 PolarHBondContact O-N 2.87Å; S102-Q105 PolarHBondContact O-N 3.33Å; S102-K106 PolarHBondContact O-N 2.85Å; S102-K106 VanDerWaalsContact O-N 3.17Å
103T95.3Very high94.3Very high17 Ų1761.6 Ų61.610%0.10431%0.306CS..Hα-helixtrans-69.7-41.3176.9-48.70000111.7L29 F33 I99 F100 F101 K106 H107L29-T103 HydrophobicContact CD2-CG2 4.15Å; L29-T103 WeakPolarHBondContact CD2-OG1 3.33Å; L29-T103 HydrophobicContact CG-CG2 4.2Å; F33-T103 HydrophobicContact CD2-CG2 3.45Å; F33-T103 VanDerWaalsContact CD2-CG2 3.45Å; F33-T103 HydrophobicContact CE2-CG2 3.56Å; F33-T103 HydrophobicContact CG-CG2 4.23Å; F33-T103 HydrophobicContact CZ-CG2 4.42Å; I99-T103 WeakPolarHBondContact O-CB 3.28Å; I99-T103 PolarHBondContact O-N 2.93Å; I99-T103 VanDerWaalsContact O-N 3.16Å; I99-T103 PolarHBondContact O-OG1 3.48Å; F100-T103 PolarHBondContact O-N 3.47Å; F101-T103 VanDerWaalsContact C-N 3.35Å; F101-T103 PolarHBondContact O-N 3.4Å; T103-K106 WeakPolarHBondContact O-CB 3.43Å; T103-K106 PolarHBondContact O-N 3.41Å; T103-H107 PolarHBondContact O-CD2 2.96Å; T103-H107 PolarHBondContact O-N 3.12Å; T103-H107 VanDerWaalsContact O-N 3.16Å
104Y95.8Very high94.1Very high3 Ų362.2 Ų62.21%0.01231%0.307CS..Hα-helixtrans-57-49.7172.9168-99.9000111.3A73 V74 A78 I83 F100 F101 K106 H107 K108A73-Y104 HydrophobicContact CB-CE2 3.89Å; A73-Y104 PolarHBondContact O-OH 3.31Å; V74-Y104 HydrophobicContact CB-CE2 4.48Å; V74-Y104 HydrophobicContact CG2-CD2 4.18Å; V74-Y104 HydrophobicContact CG2-CE2 3.5Å; A78-Y104 PolarHBondContact O-OH 2.86Å; I83-Y104 HydrophobicContact CD1-CD1 3.69Å; I83-Y104 HydrophobicContact CD1-CD2 4.48Å; I83-Y104 HydrophobicContact CD1-CE1 3.52Å; I83-Y104 HydrophobicContact CD1-CE2 4.35Å; I83-Y104 HydrophobicContact CD1-CG 4.17Å; F100-Y104 VanDerWaalsContact O-CB 3.29Å; F100-Y104 WeakPolarHBondContact O-CB 3.3Å; F100-Y104 PolarHBondContact O-N 3.01Å; F101-Y104 HydrophobicContact CD2-CD1 4.23Å; F101-Y104 HydrophobicContact CE2-CD1 4.22Å; F101-Y104 HydrophobicContact CE2-CE1 4.47Å; F101-Y104 PolarHBondContact O-N 2.85Å; Y104-K106 VanDerWaalsContact C-N 3.26Å; Y104-K106 PolarHBondContact O-N 3.42Å; Y104-H107 PolarHBondContact O-N 3.47Å; Y104-K108 HydrophobicContact CE1-CD 4.01Å; Y104-K108 WeakPolarHBondContact O-CA 3.36Å; Y104-K108 VanDerWaalsContact O-CB 3.24Å; Y104-K108 WeakPolarHBondContact O-CB 3.27Å; Y104-K108 PolarHBondContact O-N 3.17Å
105Q95.5Very high93.8Very high129 Ų12960.2 Ų60.260%0.60329%0.292SS*.Hα-helixtrans-62.2-35.9-179.1-169.4171.422.700112.3F101 S102F101-Q105 WeakPolarHBondContact O-CB 3.49Å; F101-Q105 PolarHBondContact O-N 2.92Å; S102-Q105 PolarHBondContact O-N 3.33Å
106K96.1Very high93.2Very high152 Ų15256.9 Ų56.966%0.66128%0.278SS*.Hα-helixtrans-63.5-42.4176.1-177.3-175.6174.2-167.80112.5S102 T103 Y104S102-K106 PolarHBondContact O-N 2.85Å; S102-K106 VanDerWaalsContact O-N 3.17Å; T103-K106 WeakPolarHBondContact O-CB 3.43Å; T103-K106 PolarHBondContact O-N 3.41Å; Y104-K106 VanDerWaalsContact C-N 3.26Å; Y104-K106 PolarHBondContact O-N 3.42Å
107H95.1Very high92.4Very high36 Ų3660 Ų6017%0.16730%0.301CS..Hα-helixtrans-103.8-3.8-172.6-70.1-63.4000115F33 L37 T103 Y104 K109 D110 I111F33-H107 HydrophobicContact CD1-CB 3.51Å; F33-H107 HydrophobicContact CE1-CB 3.89Å; F33-H107 HydrophobicContact CG-CB 4.29Å; L37-H107 HydrophobicContact CD1-CB 4.4Å; T103-H107 PolarHBondContact O-CD2 2.96Å; T103-H107 PolarHBondContact O-N 3.12Å; T103-H107 VanDerWaalsContact O-N 3.16Å; Y104-H107 PolarHBondContact O-N 3.47Å; H107-K109 PolarHBondContact O-N 3.39Å; H107-D110 IonicContact ND1-OD2 3.65Å; H107-D110 PolarHBondContact O-N 2.96Å; H107-I111 HydrophobicContact CB-CD1 4.48Å; H107-I111 PolarHBondContact O-N 3.43Å; H107-I111 VanDerWaalsContact O-N 3.12Å
108K94.4Very high91.3Very high46 Ų4665.1 Ų65.120%0.233%0.326CS..Hα-helixtrans-51.7-51.9-176.6176.4177.1174.5174.90112.4N77 Y104 D110 I111 E112N77-K108 WeakPolarHBondContact OD1-CE 3.45Å; N77-K108 PolarHBondContact OD1-NZ 3.18Å; Y104-K108 HydrophobicContact CE1-CD 4.01Å; Y104-K108 WeakPolarHBondContact O-CA 3.36Å; Y104-K108 VanDerWaalsContact O-CB 3.24Å; Y104-K108 WeakPolarHBondContact O-CB 3.27Å; Y104-K108 PolarHBondContact O-N 3.17Å; K108-D110 VanDerWaalsContact C-N 3.29Å; K108-D110 PolarHBondContact O-N 3.01Å; K108-I111 PolarHBondContact O-N 3.37Å; K108-E112 WeakPolarHBondContact CE-OE1 3.47Å; K108-E112 HydrophobicContact CG-CG 4.25Å; K108-E112 IonicContact NZ-OE1 3.95Å; K108-E112 WeakPolarHBondContact O-CG 3.46Å; K108-E112 PolarHBondContact O-N 3.4Å
109K93.7Very high89.8Confident164 Ų16463.3 Ų63.371%0.71333%0.33SS*.Hα-helixtrans-61.8-37.1-177.3-68.4-172.2178.6-177.90112.9H107 E112 H113H107-K109 PolarHBondContact O-N 3.39Å; K109-E112 PolarHBondContact O-N 3.09Å; K109-H113 WeakPolarHBondContact O-CB 3.49Å; K109-H113 PolarHBondContact O-N 2.94Å
110D93.5Very high88.3Confident82 Ų8272.3 Ų72.344%0.43936%0.362SS..Hα-helixtrans-68-41.5179.5-57.2-32.6000110.6L37 H107 K108 H113 L114L37-D110 HydrophobicContact CD1-CB 3.94Å; L37-D110 HydrophobicContact CD2-CB 3.61Å; L37-D110 HydrophobicContact CG-CB 4.45Å; H107-D110 IonicContact ND1-OD2 3.65Å; H107-D110 PolarHBondContact O-N 2.96Å; K108-D110 VanDerWaalsContact C-N 3.29Å; K108-D110 PolarHBondContact O-N 3.01Å; D110-H113 PolarHBondContact O-N 3.47Å; D110-L114 WeakPolarHBondContact O-CB 3.21Å; D110-L114 PolarHBondContact O-N 3.23Å
111I92.4Very high86.8Confident0 Ų078.8 Ų78.80%039%0.386CS..Hα-helixtrans-70.7-38.4176.3-62167.3000111F33 L36 L37 I70 L71 V74 H107 K108 H113 L114 L115F33-I111 HydrophobicContact CD1-CD1 3.54Å; F33-I111 HydrophobicContact CE1-CD1 3.54Å; L36-I111 HydrophobicContact CD1-CD1 4.48Å; L37-I111 HydrophobicContact CD2-CG1 3.8Å; L37-I111 HydrophobicContact CG-CG1 4.33Å; I70-I111 HydrophobicContact CG2-CD1 3.52Å; L71-I111 HydrophobicContact CD2-CG2 4.04Å; V74-I111 HydrophobicContact CB-CG2 4Å; V74-I111 HydrophobicContact CG1-CB 4.26Å; V74-I111 HydrophobicContact CG1-CG2 3.91Å; V74-I111 HydrophobicContact CG2-CB 4.06Å; V74-I111 HydrophobicContact CG2-CD1 4.27Å; V74-I111 HydrophobicContact CG2-CG2 3.83Å; H107-I111 HydrophobicContact CB-CD1 4.48Å; H107-I111 PolarHBondContact O-N 3.43Å; H107-I111 VanDerWaalsContact O-N 3.12Å; K108-I111 PolarHBondContact O-N 3.37Å; I111-H113 VanDerWaalsContact C-N 3.31Å; I111-H113 PolarHBondContact O-N 3.41Å; I111-L114 WeakPolarHBondContact O-CB 3.5Å; I111-L114 PolarHBondContact O-N 2.67Å; I111-L115 HydrophobicContact CG2-CD1 4.03Å; I111-L115 HydrophobicContact CG2-CG 4.18Å; I111-L115 WeakPolarHBondContact O-CB 3.32Å; I111-L115 WeakPolarHBondContact O-CG 3.39Å; I111-L115 PolarHBondContact O-N 2.84Å
112E91.4Very high85.5Confident72 Ų7282.3 Ų82.334%0.33641%0.412SS..Hα-helixtrans-58.4-45.4173-74.9174.1159.900110.7V74 K108 K109 L115 S116V74-E112 HydrophobicContact CG1-CB 4.34Å; V74-E112 HydrophobicContact CG1-CG 3.42Å; V74-E112 VanDerWaalsContact CG1-CG 3.42Å; K108-E112 WeakPolarHBondContact CE-OE1 3.47Å; K108-E112 HydrophobicContact CG-CG 4.25Å; K108-E112 IonicContact NZ-OE1 3.95Å; K108-E112 WeakPolarHBondContact O-CG 3.46Å; K108-E112 PolarHBondContact O-N 3.4Å; K109-E112 PolarHBondContact O-N 3.09Å; E112-L115 PolarHBondContact O-N 2.91Å; E112-S116 VanDerWaalsContact O-CB 3.26Å; E112-S116 WeakPolarHBondContact O-CB 3.39Å; E112-S116 PolarHBondContact O-N 3.17Å
113H88.1Confident84.5Confident136 Ų13683.1 Ų83.163%0.6342%0.416SS*.Hα-helixtrans-61.1-46.9175.3-179.6-85000111.2K109 D110 I111 S116 S117K109-H113 WeakPolarHBondContact O-CB 3.49Å; K109-H113 PolarHBondContact O-N 2.94Å; D110-H113 PolarHBondContact O-N 3.47Å; I111-H113 VanDerWaalsContact C-N 3.31Å; I111-H113 PolarHBondContact O-N 3.41Å; H113-S116 WeakPolarHBondContact O-CB 3.42Å; H113-S116 PolarHBondContact O-N 3.26Å; H113-S116 PolarHBondContact O-OG 2.97Å; H113-S117 PolarHBondContact O-N 3.37Å; H113-S117 VanDerWaalsContact O-N 3.09Å
114L88.5Confident83.8Confident46 Ų4686.6 Ų86.624%0.24143%0.431CS..Hα-helixtrans-56.9-51.7175.7179.969.6000111.4L36 D110 I111 S116 S117 M118L36-L114 WeakPolarHBondContact O-CD2 3.47Å; D110-L114 WeakPolarHBondContact O-CB 3.21Å; D110-L114 PolarHBondContact O-N 3.23Å; I111-L114 WeakPolarHBondContact O-CB 3.5Å; I111-L114 PolarHBondContact O-N 2.67Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 3.24Å; L114-S117 PolarHBondContact O-N 2.88Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 3.01Å; L114-M118 HydrophobicContact CD1-CE 4.42Å; L114-M118 HydrophobicContact CD1-SD 4.28Å; L114-M118 HydrophobicContact CD2-CE 4.1Å; L114-M118 HydrophobicContact CG-CE 3.72Å; L114-M118 HydrophobicContact CG-SD 4.21Å; L114-M118 WeakPolarHBondContact O-CG 3.3Å; L114-M118 PolarHBondContact O-N 3.07Å; L114-M118 VanDerWaalsContact O-N 3.11Å
115L86.8Confident83.4Confident52 Ų5291 Ų9127%0.27245%0.453SS..Hα-helixtrans-60.6-36.9176.8-72.7175.6000112L71 V74 I111 E112 S117 M118L71-L115 HydrophobicContact CD2-CD2 4.1Å; V74-L115 HydrophobicContact CB-CD1 4.15Å; V74-L115 HydrophobicContact CG1-CD1 3.82Å; I111-L115 HydrophobicContact CG2-CD1 4.03Å; I111-L115 HydrophobicContact CG2-CG 4.18Å; I111-L115 WeakPolarHBondContact O-CB 3.32Å; I111-L115 WeakPolarHBondContact O-CG 3.39Å; I111-L115 PolarHBondContact O-N 2.84Å; E112-L115 PolarHBondContact O-N 2.91Å; L115-S117 PolarHBondContact O-N 3.39Å; L115-M118 HydrophobicContact CD2-CE 3.76Å; L115-M118 HydrophobicContact CG-CE 4.5Å; L115-M118 CarbonylContact O-C 3.59Å; L115-M118 PolarHBondContact O-N 2.85Å; L115-M118 VanDerWaalsContact O-O 3.11Å
116S81.8Confident83Confident43 Ų4389.2 Ų89.230%0.30145%0.448SS..Hα-helixtrans-66-26.9177.583.90000113.3E112 H113 L114E112-S116 VanDerWaalsContact O-CB 3.26Å; E112-S116 WeakPolarHBondContact O-CB 3.39Å; E112-S116 PolarHBondContact O-N 3.17Å; H113-S116 WeakPolarHBondContact O-CB 3.42Å; H113-S116 PolarHBondContact O-N 3.26Å; H113-S116 PolarHBondContact O-OG 2.97Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 3.24Å
117S77.3Confident82.7Confident73 Ų7386.4 Ų86.451%0.5144%0.44SS..Hα-helixtrans-83-19.8172.576.10000112.9H113 L114 L115 G119H113-S117 PolarHBondContact O-N 3.37Å; H113-S117 VanDerWaalsContact O-N 3.09Å; L114-S117 PolarHBondContact O-N 2.88Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 3.01Å; L115-S117 PolarHBondContact O-N 3.39Å; S117-G119 PolarHBondContact O-N 2.67Å
118M73.2Confident82.6Confident109 Ų10988.1 Ų88.154%0.53745%0.453SS..SBendtrans-100.778.2-179.9-64.6-171.8-51.700109.9L114 L115L114-M118 HydrophobicContact CD1-CE 4.42Å; L114-M118 HydrophobicContact CD1-SD 4.28Å; L114-M118 HydrophobicContact CD2-CE 4.1Å; L114-M118 HydrophobicContact CG-CE 3.72Å; L114-M118 HydrophobicContact CG-SD 4.21Å; L114-M118 WeakPolarHBondContact O-CG 3.3Å; L114-M118 PolarHBondContact O-N 3.07Å; L114-M118 VanDerWaalsContact O-N 3.11Å; L115-M118 HydrophobicContact CD2-CE 3.76Å; L115-M118 HydrophobicContact CG-CE 4.5Å; L115-M118 CarbonylContact O-C 3.59Å; L115-M118 PolarHBondContact O-N 2.85Å; L115-M118 VanDerWaalsContact O-O 3.11Å
119G63.3Low82.5Confident45 Ų4588.8 Ų88.846%0.46446%0.464SS..SBendtrans-178151.5175.600000112.4S117 R121S117-G119 PolarHBondContact O-N 2.67Å; G119-R121 PolarHBondContact O-N 3.05Å
120R64.7Low82.5Confident218 Ų21889.5 Ų89.582%0.82346%0.462SS*.  trans-88.8101.2164.7-67.6-177.7179.3-177.7-1107
121R63.7Low82.5Confident137 Ų13793.5 Ų93.552%0.51747%0.471SS..PPolyproline II helixtrans-72139.2163.4-70.1-177.8178141.1-0.5108.3G119 Q158G119-R121 PolarHBondContact O-N 3.05Å; R121-Q158 VanDerWaalsContact NH1-NE2 3.18Å
122P69.4Low82.5Confident103 Ų10397.8 Ų97.867%0.66949%0.494SS*.PPolyproline II helixtrans-58.3151.8167.226.5-32.1000109.1H124P122-H124 PolarHBondContact O-N 2.96Å
123P74.2Confident82.2Confident82 Ų8297.7 Ų97.753%0.53249%0.493SS..PPolyproline II helixtrans-49.6133.6171.3-21.330000109.5C157P123-C157 VanDerWaalsContact CB-SG 3.53Å; P123-C157 VanDerWaalsContact CG-SG 3.51Å
124H81.2Confident81.9Confident90 Ų9097.2 Ų97.242%0.41749%0.487SS..EExtended strand (participates in β ladder)trans-116.9140.5178.367.2-69.6000110.1P122 N126 T155 E156P122-H124 PolarHBondContact O-N 2.96Å; H124-N126 PolarHBondContact O-N 2.85Å; H124-T155 CarbonylContact O-C 3.37Å; H124-T155 WeakPolarHBondContact O-CA 3.15Å; H124-E156 IonicContact CE1-OE2 2.68Å; H124-E156 PolarHBondContact N-O 2.94Å; H124-E156 PolarHBondContact ND1-O 3.21Å; H124-E156 IonicContact NE2-OE2 2.89Å; H124-E156 PolarHBondContact O-N 3.41Å
125I87.6Confident81.2Confident95 Ų9599.2 Ų99.249%0.48749%0.494SS..EExtended strand (participates in β ladder)trans-79.3121.5179.4-59.7163.9000107.6D127 V128 L153 N154 T155I125-D127 WeakPolarHBondContact CG2-O 3.49Å; I125-V128 HydrophobicContact CG2-CG2 4.09Å; I125-L153 HydrophobicContact CD1-CB 4.42Å; I125-L153 HydrophobicContact CD1-CD1 3.92Å; I125-L153 HydrophobicContact CG1-CB 4.37Å; I125-L153 HydrophobicContact CG2-CB 4.21Å; I125-N154 CarbonylContact C-O 3.48Å; I125-N154 VanDerWaalsContact CA-O 3.28Å; I125-N154 WeakPolarHBondContact CA-O 3.3Å; I125-T155 HydrophobicContact CG1-CG2 4.25Å
126N87Confident80.5Confident92 Ų92102.7 Ų102.749%0.49251%0.511SS..EExtended strand (participates in β ladder)trans-102.6-26.9178.9636.3000112.8H124 N154H124-N126 PolarHBondContact O-N 2.85Å; N126-N154 PolarHBondContact N-O 3.22Å; N126-N154 WeakPolarHBondContact OD1-CB 3.37Å; N126-N154 PolarHBondContact OD1-O 3.5Å
127D89.5Confident79.9Confident94 Ų94106.8 Ų106.850%0.50352%0.523SS..EExtended strand (participates in β ladder)trans-149.2160.7179.8-1609.2000111.9I125 N154I125-D127 WeakPolarHBondContact CG2-O 3.49Å; D127-N154 HydrophobicContact CB-CB 3.95Å; D127-N154 PolarHBondContact O-N 3.31Å
128V92.4Very high79.5Confident72 Ų72108.3 Ų108.344%0.43653%0.526SS..EExtended strand (participates in β ladder)trans-135.3117.2178.2-179.40000109.8I125 I151 S152 L153I125-V128 HydrophobicContact CG2-CG2 4.09Å; V128-I151 HydrophobicContact CG1-CG2 4.19Å; V128-S152 WeakPolarHBondContact CA-O 3.36Å; V128-L153 HydrophobicContact CB-CD2 4.26Å; V128-L153 HydrophobicContact CG1-CD2 3.85Å; V128-L153 HydrophobicContact CG2-CD2 3.61Å
129S93.3Very high79Confident60 Ų60107.1 Ų107.142%0.4254%0.541SS..EExtended strand (participates in β ladder)trans-102.2140.5170.2-72.40000110.6S152S129-S152 PolarHBondContact N-O 3.12Å; S129-S152 PolarHBondContact O-N 3.32Å
130W93.8Very high78.8Confident178 Ų178113.5 Ų113.567%0.67456%0.559SS**EExtended strand (participates in β ladder)trans-139.8152178.667.8-86.6000112.3L132 L150 I151W130-L132 HydrophobicContact CZ3-CB 4.32Å; W130-L150 CarbonylContact C-O 3.37Å; W130-L150 VanDerWaalsContact CA-O 3.26Å; W130-L150 WeakPolarHBondContact CA-O 3.41Å; W130-I151 HydrophobicContact CB-CD1 3.55Å
131R93.3Very high78.5Confident166 Ų166108.4 Ų108.463%0.62655%0.547SS*.EExtended strand (participates in β ladder)trans-143.1130.6174.9-175.7176.7175.7130.8-0.6110.8Q133 Y149 L150R131-Q133 HydrophobicContact CG-CG 4.41Å; R131-Y149 WeakPolarHBondContact O-CA 3.4Å; R131-L150 HydrophobicContact CB-CB 4.42Å; R131-L150 PolarHBondContact N-O 2.83Å; R131-L150 PolarHBondContact O-N 2.92Å
132L91.6Very high78.2Confident91 Ų91107.2 Ų107.248%0.47655%0.551SS.*EExtended strand (participates in β ladder)trans-81.7127.5167.6178.263.6000109.7W130 P147 Y149W130-L132 HydrophobicContact CZ3-CB 4.32Å; L132-P147 HydrophobicContact CD1-CB 3.69Å; L132-Y149 HydrophobicContact CB-CD1 4.47Å; L132-Y149 HydrophobicContact CB-CE1 4.34Å; L132-Y149 HydrophobicContact CD1-CD1 4.11Å; L132-Y149 HydrophobicContact CD1-CE1 3.72Å; L132-Y149 HydrophobicContact CD1-CE2 4.27Å
133Q86Confident77.6Confident69 Ų69110.2 Ų110.232%0.32255%0.554SS.*EExtended strand (participates in β ladder)trans-118.5154.2172.7-66.3-173.2-13.600109.5R131 P147 F148R131-Q133 HydrophobicContact CG-CG 4.41Å; Q133-P147 WeakPolarHBondContact O-CA 3.23Å; Q133-F148 PolarHBondContact N-O 3.35Å; Q133-F148 PolarHBondContact O-N 3.41Å; Q133-F148 VanDerWaalsContact O-O 3.11Å
134Y82.2Confident77.2Confident127 Ų127108.4 Ų108.450%0.49854%0.539SS..EExtended strand (participates in β ladder)trans-126.7114.2179.7-163.8-102.1000109.3M136 N145 P147Y134-M136 HydrophobicContact CD1-CG 3.86Å; Y134-M136 HydrophobicContact CE1-CG 4.29Å; Y134-M136 PolarHBondContact O-N 3.34Å; Y134-N145 HydrophobicContact CE1-CB 4.13Å; Y134-N145 WeakPolarHBondContact CE2-O 3.46Å; Y134-N145 VanDerWaalsContact OH-C 3.25Å; Y134-N145 WeakPolarHBondContact OH-CA 3.36Å; Y134-N145 VanDerWaalsContact OH-CB 3.24Å; Y134-N145 WeakPolarHBondContact OH-CB 3.47Å; Y134-N145 PolarHBondContact OH-O 3.15Å; Y134-P147 HydrophobicContact CD2-CB 4.46Å
135H72.3Confident76.6Confident87 Ų87107.5 Ų107.540%0.40354%0.537SS..EExtended strand (participates in β ladder)trans-86.6107.3179.8-81.9-178.7000110N145 E146 F148H135-N145 WeakPolarHBondContact O-CA 3.35Å; H135-N145 PolarHBondContact O-N 2.68Å; H135-E146 PolarHBondContact N-O 3.44Å; H135-E146 PolarHBondContact O-N 2.94Å; H135-F148 HydrophobicContact CB-CD2 4.45Å; H135-F148 AromaticContact ND1-CD2 3.96Å
136M74Confident76.1Confident125 Ų125107.8 Ų107.862%0.61654%0.537SS*.  trans-82.1-34179.7-60.3-171.180.800112.7Y134 K143 I144Y134-M136 HydrophobicContact CD1-CG 3.86Å; Y134-M136 HydrophobicContact CE1-CG 4.29Å; Y134-M136 PolarHBondContact O-N 3.34Å; M136-K143 WeakPolarHBondContact O-CA 3.4Å; M136-I144 PolarHBondContact O-N 3Å
137K68.9Low76Confident130 Ų130105.7 Ų105.757%0.56553%0.528SS*.  trans-146.5153.9-178.6-68.9-163.9177.6-163.30111.8D142K137-D142 WeakPolarHBondContact CD-OD1 3.32Å; K137-D142 WeakPolarHBondContact CE-O 3.47Å; K137-D142 VanDerWaalsContact CE-OD1 3.24Å; K137-D142 WeakPolarHBondContact CE-OD1 3.34Å; K137-D142 WeakPolarHBondContact CG-O 3.36Å; K137-D142 IonicContact NZ-OD1 2.66Å; K137-D142 PolarHBondContact NZ-OD1 3.26Å; K137-D142 IonicContact NZ-OD2 3.63Å
138N67.3Low75.9Confident105 Ų105103.5 Ų103.556%0.56151%0.514SS*.BIsolated β-bridgetrans-132163.1167.4-175.48.5000108.8Q140 L141 I144N138-Q140 PolarHBondContact O-N 3.4Å; N138-L141 PolarHBondContact N-O 2.9Å; N138-L141 VanDerWaalsContact N-O 3.16Å; N138-L141 PolarHBondContact O-N 2.86Å; N138-L141 VanDerWaalsContact O-N 3.12Å; N138-L141 VanDerWaalsContact O-O 3.07Å; N138-I144 HydrophobicContact CB-CD1 3.33Å
139G62.7Low75.8Confident83 Ų83102.3 Ų102.386%0.85650%0.502SS*.THydrogen-bonded Turntrans-59.3-9.9-176.200000116.1
140Q60.4Low75.8Confident179 Ų179102.1 Ų102.184%0.83650%0.496SS*.THydrogen-bonded Turntrans-114-16.8177.8-67.1-179.4-24.300114.3N138N138-Q140 PolarHBondContact O-N 3.4Å
141L58.9Low75.8Confident111 Ų11194.3 Ų94.358%0.58147%0.467SS*.BIsolated β-bridgetrans-141.8125.8-171.4-92155.8000111.5N138 K143 I144N138-L141 PolarHBondContact N-O 2.9Å; N138-L141 VanDerWaalsContact N-O 3.16Å; N138-L141 PolarHBondContact O-N 2.86Å; N138-L141 VanDerWaalsContact O-N 3.12Å; N138-L141 VanDerWaalsContact O-O 3.07Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.36Å; L141-I144 HydrophobicContact CB-CG1 4.2Å
142D56.1Low75.8Confident112 Ų11287.6 Ų87.660%0.59945%0.446SS*.SBendtrans-81.7-8.1-168.2-146.728.7000114.1K137K137-D142 WeakPolarHBondContact CD-OD1 3.32Å; K137-D142 WeakPolarHBondContact CE-O 3.47Å; K137-D142 VanDerWaalsContact CE-OD1 3.24Å; K137-D142 WeakPolarHBondContact CE-OD1 3.34Å; K137-D142 WeakPolarHBondContact CG-O 3.36Å; K137-D142 IonicContact NZ-OD1 2.66Å; K137-D142 PolarHBondContact NZ-OD1 3.26Å; K137-D142 IonicContact NZ-OD2 3.63Å
143K56.2Low75.8Confident167 Ų16784.7 Ų84.773%0.72643%0.431SS*.  trans-151.9112.2168.3-71-173.3179.9174.40109.9M136 L141M136-K143 WeakPolarHBondContact O-CA 3.4Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.36Å
144I65.9Low75.9Confident43 Ų4383.3 Ų83.322%0.22143%0.425CS..  trans-99.7-52.6169.9-67.3175.2000109.4M136 N138 L141 E146M136-I144 PolarHBondContact O-N 3Å; N138-I144 HydrophobicContact CB-CD1 3.33Å; L141-I144 HydrophobicContact CB-CG1 4.2Å; I144-E146 HydrophobicContact CG2-CB 3.8Å; I144-E146 HydrophobicContact CG2-CG 3.73Å; I144-E146 PolarHBondContact O-N 3Å
145N69.9Low75.9Confident71 Ų7177.6 Ų77.638%0.3840%0.404SS..  trans58.941.6176.5-71.1-22.7000113.3Y134 H135Y134-N145 HydrophobicContact CE1-CB 4.13Å; Y134-N145 WeakPolarHBondContact CE2-O 3.46Å; Y134-N145 VanDerWaalsContact OH-C 3.25Å; Y134-N145 WeakPolarHBondContact OH-CA 3.36Å; Y134-N145 VanDerWaalsContact OH-CB 3.24Å; Y134-N145 WeakPolarHBondContact OH-CB 3.47Å; Y134-N145 PolarHBondContact OH-O 3.15Å; H135-N145 WeakPolarHBondContact O-CA 3.35Å; H135-N145 PolarHBondContact O-N 2.68Å
146E77.4Confident76.2Confident102 Ų10278.1 Ų78.148%0.47741%0.406SS..EExtended strand (participates in β ladder)trans-115.1141.2-178.5-69.5177.3175.200112.6H135 I144 F148H135-E146 PolarHBondContact N-O 3.44Å; H135-E146 PolarHBondContact O-N 2.94Å; I144-E146 HydrophobicContact CG2-CB 3.8Å; I144-E146 HydrophobicContact CG2-CG 3.73Å; I144-E146 PolarHBondContact O-N 3Å; E146-F148 HydrophobicContact CB-CE2 4.22Å
147P83.1Confident75.8Confident48 Ų4874.2 Ų74.231%0.31239%0.391SS..EExtended strand (participates in β ladder)trans-74.9136.7172.330.5-32.4000111.6L132 Q133 Y134L132-P147 HydrophobicContact CD1-CB 3.69Å; Q133-P147 WeakPolarHBondContact O-CA 3.23Å; Y134-P147 HydrophobicContact CD2-CB 4.46Å
148F87.4Confident75.4Confident47 Ų4772.6 Ų72.621%0.20639%0.385CS..EExtended strand (participates in β ladder)trans-128.2143.4171.5-85.5-91.2000110.2Q133 H135 E146 T171Q133-F148 PolarHBondContact N-O 3.35Å; Q133-F148 PolarHBondContact O-N 3.41Å; Q133-F148 VanDerWaalsContact O-O 3.11Å; H135-F148 HydrophobicContact CB-CD2 4.45Å; H135-F148 AromaticContact ND1-CD2 3.96Å; E146-F148 HydrophobicContact CB-CE2 4.22Å; F148-T171 HydrophobicContact CD1-CG2 4.29Å; F148-T171 HydrophobicContact CE1-CG2 3.54Å; F148-T171 HydrophobicContact CZ-CG2 3.87Å
149Y91.7Very high74.8Confident47 Ų4772.1 Ų72.118%0.18438%0.383CS..EExtended strand (participates in β ladder)trans-105.4132.3177.8-62-91000109.4R131 L132 T169 C170 L175R131-Y149 WeakPolarHBondContact O-CA 3.4Å; L132-Y149 HydrophobicContact CB-CD1 4.47Å; L132-Y149 HydrophobicContact CB-CE1 4.34Å; L132-Y149 HydrophobicContact CD1-CD1 4.11Å; L132-Y149 HydrophobicContact CD1-CE1 3.72Å; L132-Y149 HydrophobicContact CD1-CE2 4.27Å; Y149-T169 CarbonylContact O-C 3.51Å; Y149-T169 WeakPolarHBondContact O-CA 3.39Å; Y149-C170 PolarHBondContact N-O 3.27Å; Y149-C170 PolarHBondContact O-N 3.13Å; Y149-L175 HydrophobicContact CD1-CD2 4.02Å; Y149-L175 HydrophobicContact CD2-CD2 3.97Å; Y149-L175 HydrophobicContact CE1-CD2 4.18Å; Y149-L175 HydrophobicContact CE2-CD2 4.15Å; Y149-L175 HydrophobicContact CG-CD2 3.9Å
150L92.7Very high74.4Confident57 Ų5776.9 Ų76.930%0.29838%0.383SS..EExtended strand (participates in β ladder)trans-98.4121.5164.5-176.573.2000107.3W130 R131 T169W130-L150 CarbonylContact C-O 3.37Å; W130-L150 VanDerWaalsContact CA-O 3.26Å; W130-L150 WeakPolarHBondContact CA-O 3.41Å; R131-L150 HydrophobicContact CB-CB 4.42Å; R131-L150 PolarHBondContact N-O 2.83Å; R131-L150 PolarHBondContact O-N 2.92Å; L150-T169 HydrophobicContact CD1-CG2 3.5Å
151I93.8Very high74.1Confident13 Ų1372.7 Ų72.77%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-116.3133.9178.7-52.2-60.5000108.5V128 W130 L153 N167 F168 L175V128-I151 HydrophobicContact CG1-CG2 4.19Å; W130-I151 HydrophobicContact CB-CD1 3.55Å; I151-L153 HydrophobicContact CG2-CD2 3.89Å; I151-L153 HydrophobicContact CG2-CG 4.36Å; I151-N167 WeakPolarHBondContact O-CA 3.34Å; I151-F168 HydrophobicContact CB-CD1 4.39Å; I151-F168 HydrophobicContact CB-CD2 4.34Å; I151-F168 HydrophobicContact CB-CE1 3.9Å; I151-F168 HydrophobicContact CB-CE2 3.83Å; I151-F168 HydrophobicContact CB-CZ 3.6Å; I151-F168 HydrophobicContact CG1-CE2 3.9Å; I151-F168 HydrophobicContact CG1-CZ 4.02Å; I151-F168 HydrophobicContact CG2-CE1 3.82Å; I151-F168 HydrophobicContact CG2-CE2 4.36Å; I151-F168 HydrophobicContact CG2-CZ 3.64Å; I151-F168 PolarHBondContact N-O 3.03Å; I151-F168 PolarHBondContact O-N 3.38Å; I151-L175 HydrophobicContact CD1-CD1 4.42Å
152S93.4Very high73.9Confident25 Ų2571 Ų7118%0.17539%0.385CS..EExtended strand (participates in β ladder)trans-124117.5175.8-63.10000108.1V128 S129 I166 N167V128-S152 WeakPolarHBondContact CA-O 3.36Å; S129-S152 PolarHBondContact N-O 3.12Å; S129-S152 PolarHBondContact O-N 3.32Å; S152-I166 WeakPolarHBondContact CA-O 3.47Å; S152-N167 WeakPolarHBondContact CA-OD1 3.16Å; S152-N167 WeakPolarHBondContact CB-OD1 3.49Å; S152-N167 PolarHBondContact OG-OD1 3.08Å
153L91.3Very high74.2Confident31 Ų3169.1 Ų69.116%0.16238%0.38CS..EExtended strand (participates in β ladder)trans-101.7115.9175.1-50.6175.1000108I125 V128 I151 D165 I166 F168I125-L153 HydrophobicContact CD1-CB 4.42Å; I125-L153 HydrophobicContact CD1-CD1 3.92Å; I125-L153 HydrophobicContact CG1-CB 4.37Å; I125-L153 HydrophobicContact CG2-CB 4.21Å; V128-L153 HydrophobicContact CB-CD2 4.26Å; V128-L153 HydrophobicContact CG1-CD2 3.85Å; V128-L153 HydrophobicContact CG2-CD2 3.61Å; I151-L153 HydrophobicContact CG2-CD2 3.89Å; I151-L153 HydrophobicContact CG2-CG 4.36Å; L153-D165 WeakPolarHBondContact O-CA 3.4Å; L153-I166 HydrophobicContact CB-CB 4.23Å; L153-I166 HydrophobicContact CD1-CB 4.49Å; L153-I166 PolarHBondContact N-O 2.6Å; L153-I166 PolarHBondContact O-N 3.45Å; L153-F168 HydrophobicContact CD1-CE1 3.95Å; L153-F168 HydrophobicContact CG-CE1 4.15Å
154N87.6Confident75Confident39 Ų3968.5 Ų68.521%0.20938%0.38CS..EExtended strand (participates in β ladder)trans-79.3123.6178-64.666.4000108.2I125 N126 D127 D165I125-N154 CarbonylContact C-O 3.48Å; I125-N154 VanDerWaalsContact CA-O 3.28Å; I125-N154 WeakPolarHBondContact CA-O 3.3Å; N126-N154 PolarHBondContact N-O 3.22Å; N126-N154 WeakPolarHBondContact OD1-CB 3.37Å; N126-N154 PolarHBondContact OD1-O 3.5Å; D127-N154 HydrophobicContact CB-CB 3.95Å; D127-N154 PolarHBondContact O-N 3.31Å; N154-D165 WeakPolarHBondContact CA-OD1 3.33Å
155T83.7Confident75.8Confident7 Ų769.4 Ų69.44%0.04339%0.386CS..EExtended strand (participates in β ladder)trans-117.5131.5-175.574.20000112H124 I125 S163 E164 I166H124-T155 CarbonylContact O-C 3.37Å; H124-T155 WeakPolarHBondContact O-CA 3.15Å; I125-T155 HydrophobicContact CG1-CG2 4.25Å; T155-S163 PolarHBondContact O-OG 3.23Å; T155-E164 PolarHBondContact OG1-O 3.07Å; T155-I166 HydrophobicContact CG2-CD1 3.95Å; T155-I166 HydrophobicContact CG2-CG1 4.03Å
156E77.1Confident76.7Confident98 Ų9870.3 Ų70.346%0.45839%0.389SS..EExtended strand (participates in β ladder)trans-103.3119.8175.7-176.8173.6-171.900110.5H124H124-E156 IonicContact CE1-OE2 2.68Å; H124-E156 PolarHBondContact N-O 2.94Å; H124-E156 PolarHBondContact ND1-O 3.21Å; H124-E156 IonicContact NE2-OE2 2.89Å; H124-E156 PolarHBondContact O-N 3.41Å
157C66.3Low77.4Confident43 Ų4370.2 Ų70.229%0.29139%0.392SS..  trans-108.3128.8174.3-73.50000109.9P123 N159P123-C157 VanDerWaalsContact CB-SG 3.53Å; P123-C157 VanDerWaalsContact CG-SG 3.51Å; C157-N159 PolarHBondContact O-N 3.45Å
158Q60Low77.8Confident96 Ų9670.9 Ų70.945%0.44939%0.39SS..SBendtrans-69.7-16.5175.3-82.4-176.9-37.300113.6R121 E160R121-Q158 VanDerWaalsContact NH1-NE2 3.18Å; Q158-E160 PolarHBondContact O-N 3.11Å
159N55.3Low78Confident95 Ų9572.8 Ų72.851%0.50841%0.406SS..SBendtrans-90.3102.7177.9-68-16.8000109.6C157C157-N159 PolarHBondContact O-N 3.45Å
160E53.9Low78Confident184 Ų18470.9 Ų70.986%0.8640%0.399SS*.THydrogen-bonded Turntrans47.781.3160.6-59.7-165.3166.800116.9Q158 S162Q158-E160 PolarHBondContact O-N 3.11Å; E160-S162 PolarHBondContact O-N 3.45Å
161G54.7Low78Confident90 Ų9070 Ų7093%0.92840%0.396SS*.THydrogen-bonded Turntrans67.2-6.8142.300000119.2
162S53.9Low77.8Confident77 Ų7771.7 Ų71.754%0.53841%0.407SS..  trans-105.796.4175.363.50000110.6E160 E164E160-S162 PolarHBondContact O-N 3.45Å; S162-E164 PolarHBondContact O-N 3.39Å
163S62.5Low77.8Confident71 Ų7177.8 Ų77.850%0.49743%0.433SS..  trans-66.7106.5156-172.70000106.4T155 D165T155-S163 PolarHBondContact O-OG 3.23Å; S163-D165 PolarHBondContact O-N 3.04Å; S163-D165 PolarHBondContact OG-OD1 3.1Å
164E73.4Confident77.9Confident155 Ų15581.5 Ų81.572%0.72445%0.449SS*.  trans-94.292.7172.4-159.9172.2-161.800107.5T155 S162 I166T155-E164 PolarHBondContact OG1-O 3.07Å; S162-E164 PolarHBondContact O-N 3.39Å; E164-I166 PolarHBondContact O-N 3.06Å
165D82.9Confident78.2Confident62 Ų6281.7 Ų81.733%0.33245%0.45SS..  trans-67.5130-179.4-66.6-9.7000109.9L153 N154 S163 N167L153-D165 WeakPolarHBondContact O-CA 3.4Å; N154-D165 WeakPolarHBondContact CA-OD1 3.33Å; S163-D165 PolarHBondContact O-N 3.04Å; S163-D165 PolarHBondContact OG-OD1 3.1Å; D165-N167 PolarHBondContact O-N 2.77Å; D165-N167 PolarHBondContact O-ND2 3.36Å
166I88.9Confident78.7Confident90 Ų9087.2 Ų87.246%0.46248%0.475SS..EExtended strand (participates in β ladder)trans-86.6111.5179.9-56.3172.7000107.8S152 L153 T155 E164 F168S152-I166 WeakPolarHBondContact CA-O 3.47Å; L153-I166 HydrophobicContact CB-CB 4.23Å; L153-I166 HydrophobicContact CD1-CB 4.49Å; L153-I166 PolarHBondContact N-O 2.6Å; L153-I166 PolarHBondContact O-N 3.45Å; T155-I166 HydrophobicContact CG2-CD1 3.95Å; T155-I166 HydrophobicContact CG2-CG1 4.03Å; E164-I166 PolarHBondContact O-N 3.06Å; I166-F168 HydrophobicContact CG2-CD1 4.33Å
167N91.3Very high79.7Confident99 Ų9986.3 Ų86.353%0.52947%0.474SS..EExtended strand (participates in β ladder)trans-111.6126.3-178.7-64.5-63.6000110.7I151 S152 D165I151-N167 WeakPolarHBondContact O-CA 3.34Å; S152-N167 WeakPolarHBondContact CA-OD1 3.16Å; S152-N167 WeakPolarHBondContact CB-OD1 3.49Å; S152-N167 PolarHBondContact OG-OD1 3.08Å; D165-N167 PolarHBondContact O-N 2.77Å; D165-N167 PolarHBondContact O-ND2 3.36Å
168F92.6Very high81Confident63 Ų6387.2 Ų87.228%0.27648%0.475SS..EExtended strand (participates in β ladder)trans-147158.3175.864.4-86.9000112.1I151 L153 I166 C170 L178I151-F168 HydrophobicContact CB-CD1 4.39Å; I151-F168 HydrophobicContact CB-CD2 4.34Å; I151-F168 HydrophobicContact CB-CE1 3.9Å; I151-F168 HydrophobicContact CB-CE2 3.83Å; I151-F168 HydrophobicContact CB-CZ 3.6Å; I151-F168 HydrophobicContact CG1-CE2 3.9Å; I151-F168 HydrophobicContact CG1-CZ 4.02Å; I151-F168 HydrophobicContact CG2-CE1 3.82Å; I151-F168 HydrophobicContact CG2-CE2 4.36Å; I151-F168 HydrophobicContact CG2-CZ 3.64Å; I151-F168 PolarHBondContact N-O 3.03Å; I151-F168 PolarHBondContact O-N 3.38Å; L153-F168 HydrophobicContact CD1-CE1 3.95Å; L153-F168 HydrophobicContact CG-CE1 4.15Å; I166-F168 HydrophobicContact CG2-CD1 4.33Å; F168-C170 HydrophobicContact CD2-CB 4.36Å; F168-C170 HydrophobicContact CE2-CB 4.38Å; F168-L178 HydrophobicContact CE2-CD2 4.12Å; F168-L178 HydrophobicContact CZ-CD2 3.73Å
169T91.9Very high82.6Confident87 Ų8785.5 Ų85.553%0.53447%0.472SS..EExtended strand (participates in β ladder)trans-110.2141.4172.7540000110.5Y149 L150Y149-T169 CarbonylContact O-C 3.51Å; Y149-T169 WeakPolarHBondContact O-CA 3.39Å; L150-T169 HydrophobicContact CD1-CG2 3.5Å
170C91.3Very high84.6Confident6 Ų683.8 Ų83.84%0.04147%0.467CS..EExtended strand (participates in β ladder)trans-143155.317861.10000113Y149 F168 Q174Y149-C170 PolarHBondContact N-O 3.27Å; Y149-C170 PolarHBondContact O-N 3.13Å; F168-C170 HydrophobicContact CD2-CB 4.36Å; F168-C170 HydrophobicContact CE2-CB 4.38Å; C170-Q174 VanDerWaalsContact CA-OE1 3.31Å; C170-Q174 HydrophobicContact CB-CB 3.8Å
171T92.1Very high86.6Confident38 Ų3880.8 Ų80.823%0.23345%0.451CS..EExtended strand (participates in β ladder)trans-75.7168.4168.967.80000110.9F148 E173 Q174 L175F148-T171 HydrophobicContact CD1-CG2 4.29Å; F148-T171 HydrophobicContact CE1-CG2 3.54Å; F148-T171 HydrophobicContact CZ-CG2 3.87Å; T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 PolarHBondContact O-N 3.39Å; T171-Q174 PolarHBondContact O-N 3.27Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.32Å; T171-Q174 PolarHBondContact OG1-N 2.89Å; T171-L175 WeakPolarHBondContact O-CB 3.49Å; T171-L175 PolarHBondContact O-N 3.23Å
172T90.5Very high88.5Confident49 Ų4981.7 Ų81.730%0.30143%0.434SS..Hα-helixtrans-54.9-42.8173-52.10000112.4L175 Q176T172-L175 PolarHBondContact O-N 3.28Å; T172-Q176 WeakPolarHBondContact O-CG 3.26Å; T172-Q176 PolarHBondContact O-N 2.68Å
173E93.2Very high90.5Very high153 Ų15384.1 Ų84.172%0.71544%0.435SS*.Hα-helixtrans-66-44.2-179.7-63.8176175.300111.5T171 L175 Q176 D177T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 PolarHBondContact O-N 3.39Å; E173-L175 VanDerWaalsContact C-N 3.32Å; E173-L175 PolarHBondContact O-N 3.39Å; E173-Q176 PolarHBondContact O-N 3.5Å; E173-D177 PolarHBondContact O-N 2.95Å
174Q93.6Very high92.2Very high110 Ų11085.4 Ų85.451%0.51444%0.436SS..Hα-helixtrans-64.1-37.1176.3-72.6173.5-2800112C170 T171 D177 L178C170-Q174 VanDerWaalsContact CA-OE1 3.31Å; C170-Q174 HydrophobicContact CB-CB 3.8Å; T171-Q174 PolarHBondContact O-N 3.27Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.32Å; T171-Q174 PolarHBondContact OG1-N 2.89Å; Q174-D177 PolarHBondContact O-N 3.4Å; Q174-L178 WeakPolarHBondContact O-CB 3.17Å; Q174-L178 PolarHBondContact O-N 3.11Å
175L93.1Very high93.1Very high43 Ų4380.6 Ų80.623%0.22542%0.423CS..Hα-helixtrans-65.8-41.5174.8-176.461.3000111.6Y149 I151 T171 T172 E173 L178 V179Y149-L175 HydrophobicContact CD1-CD2 4.02Å; Y149-L175 HydrophobicContact CD2-CD2 3.97Å; Y149-L175 HydrophobicContact CE1-CD2 4.18Å; Y149-L175 HydrophobicContact CE2-CD2 4.15Å; Y149-L175 HydrophobicContact CG-CD2 3.9Å; I151-L175 HydrophobicContact CD1-CD1 4.42Å; T171-L175 WeakPolarHBondContact O-CB 3.49Å; T171-L175 PolarHBondContact O-N 3.23Å; T172-L175 PolarHBondContact O-N 3.28Å; E173-L175 VanDerWaalsContact C-N 3.32Å; E173-L175 PolarHBondContact O-N 3.39Å; L175-L178 PolarHBondContact O-N 2.92Å; L175-V179 WeakPolarHBondContact O-CG2 3.3Å; L175-V179 PolarHBondContact O-N 2.83Å
176Q94.8Very high93.6Very high122 Ų12279.9 Ų79.957%0.5743%0.426SS*.Hα-helixtrans-64.2-40.2175.7-73.6175-6.300112.2T172 E173 V179 S180T172-Q176 WeakPolarHBondContact O-CG 3.26Å; T172-Q176 PolarHBondContact O-N 2.68Å; E173-Q176 PolarHBondContact O-N 3.5Å; Q176-V179 PolarHBondContact O-N 3.29Å; Q176-S180 WeakPolarHBondContact O-CB 3.49Å; Q176-S180 PolarHBondContact O-N 2.62Å; Q176-S180 PolarHBondContact O-OG 3.49Å
177D96.6Very high93.9Very high79 Ų7980.9 Ų80.942%0.42243%0.427SS..Hα-helixtrans-62.6-45.9173.818055.4000111.4E173 Q174 V179 S180 K181E173-D177 PolarHBondContact O-N 2.95Å; Q174-D177 PolarHBondContact O-N 3.4Å; D177-V179 PolarHBondContact O-N 3.26Å; D177-S180 PolarHBondContact O-N 3.23Å; D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 3.07Å; D177-K181 WeakPolarHBondContact OD1-CE 3.37Å; D177-K181 IonicContact OD1-NZ 3.74Å; D177-K181 VanDerWaalsContact OD2-CE 3.29Å; D177-K181 WeakPolarHBondContact OD2-CE 3.49Å; D177-K181 IonicContact OD2-NZ 3.56Å; D177-K181 PolarHBondContact OD2-NZ 3.39Å
178L93.8Very high94Very high62 Ų6279.9 Ų79.933%0.32543%0.428SS..Hα-helixtrans-56.9-49.3176177.762.9000111.7F168 Q174 L175 S180 K181 L182F168-L178 HydrophobicContact CE2-CD2 4.12Å; F168-L178 HydrophobicContact CZ-CD2 3.73Å; Q174-L178 WeakPolarHBondContact O-CB 3.17Å; Q174-L178 PolarHBondContact O-N 3.11Å; L175-L178 PolarHBondContact O-N 2.92Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 3.4Å; L178-K181 PolarHBondContact O-N 2.96Å; L178-L182 HydrophobicContact CD1-CD1 4.31Å; L178-L182 HydrophobicContact CD1-CG 4.4Å; L178-L182 HydrophobicContact CG-CD1 4.17Å; L178-L182 WeakPolarHBondContact O-CG 3.5Å; L178-L182 PolarHBondContact O-N 2.85Å
179V94.3Very high94Very high61 Ų6181.8 Ų81.837%0.3744%0.444SS..Hα-helixtrans-62.5-38.5178.7171.10000111.4L175 Q176 D177 L182 K183L175-V179 WeakPolarHBondContact O-CG2 3.3Å; L175-V179 PolarHBondContact O-N 2.83Å; Q176-V179 PolarHBondContact O-N 3.29Å; D177-V179 PolarHBondContact O-N 3.26Å; V179-L182 PolarHBondContact O-N 3.37Å; V179-K183 HydrophobicContact CG1-CD 4.29Å; V179-K183 WeakPolarHBondContact O-CG 3.35Å; V179-K183 PolarHBondContact O-N 3.43Å
180S96.9Very high94Very high58 Ų5883.1 Ų83.141%0.40644%0.444SS..Hα-helixtrans-65-46178.4-59.20000111.3Q176 D177 L178 L182 K183 D184Q176-S180 WeakPolarHBondContact O-CB 3.49Å; Q176-S180 PolarHBondContact O-N 2.62Å; Q176-S180 PolarHBondContact O-OG 3.49Å; D177-S180 PolarHBondContact O-N 3.23Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 3.4Å; S180-L182 PolarHBondContact O-N 3.24Å; S180-K183 WeakPolarHBondContact O-CB 3.16Å; S180-K183 PolarHBondContact O-N 3.19Å; S180-D184 PolarHBondContact O-N 3.44Å
181K96.9Very high94.1Very high122 Ų12290 Ų9053%0.5347%0.473SS..Hα-helixtrans-61.3-40.7175.4-73.4172.3176.6163.60112.8D177 L178 D184 A185D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 3.07Å; D177-K181 WeakPolarHBondContact OD1-CE 3.37Å; D177-K181 IonicContact OD1-NZ 3.74Å; D177-K181 VanDerWaalsContact OD2-CE 3.29Å; D177-K181 WeakPolarHBondContact OD2-CE 3.49Å; D177-K181 IonicContact OD2-NZ 3.56Å; D177-K181 PolarHBondContact OD2-NZ 3.39Å; L178-K181 PolarHBondContact O-N 2.96Å; K181-D184 PolarHBondContact O-N 3.35Å; K181-A185 WeakPolarHBondContact O-CB 3.4Å; K181-A185 PolarHBondContact O-N 2.9Å
182L94.1Very high93.9Very high109 Ų10991.1 Ų91.157%0.57149%0.487SS*.Hα-helixtrans-64.1-40.1176-71.4172.2000112L178 V179 S180 A185 A186L178-L182 HydrophobicContact CD1-CD1 4.31Å; L178-L182 HydrophobicContact CD1-CG 4.4Å; L178-L182 HydrophobicContact CG-CD1 4.17Å; L178-L182 WeakPolarHBondContact O-CG 3.5Å; L178-L182 PolarHBondContact O-N 2.85Å; V179-L182 PolarHBondContact O-N 3.37Å; S180-L182 PolarHBondContact O-N 3.24Å; L182-A185 PolarHBondContact O-N 2.91Å; L182-A186 WeakPolarHBondContact O-CB 3.35Å; L182-A186 PolarHBondContact O-N 3.48Å
183K96.6Very high93.4Very high128 Ų12893 Ų9356%0.55750%0.502SS*.Hα-helixtrans-63.8-40.5174.6-74.3173.4179.6177.30112.1V179 S180 A186 K187V179-K183 HydrophobicContact CG1-CD 4.29Å; V179-K183 WeakPolarHBondContact O-CG 3.35Å; V179-K183 PolarHBondContact O-N 3.43Å; S180-K183 WeakPolarHBondContact O-CB 3.16Å; S180-K183 PolarHBondContact O-N 3.19Å; K183-A186 PolarHBondContact O-N 2.98Å; K183-K187 WeakPolarHBondContact O-CG 3.21Å; K183-K187 PolarHBondContact O-N 2.83Å
184D96.6Very high92.6Very high97 Ų9793.6 Ų93.652%0.51951%0.505SS..Hα-helixtrans-69.2-39.5178.4-70.1-20.6000111.8S180 K181 K187 S188S180-D184 PolarHBondContact O-N 3.44Å; K181-D184 PolarHBondContact O-N 3.35Å; D184-K187 PolarHBondContact O-N 3.5Å; D184-K187 IonicContact OD1-NZ 2.85Å; D184-S188 PolarHBondContact O-N 3.31Å
185A94Very high90.5Very high54 Ų5499 Ų9945%0.44653%0.532SS..Hα-helixtrans-59.6-45.9171.800000111.5K181 L182 K187 S188 V189K181-A185 WeakPolarHBondContact O-CB 3.4Å; K181-A185 PolarHBondContact O-N 2.9Å; L182-A185 PolarHBondContact O-N 2.91Å; A185-K187 PolarHBondContact O-N 2.89Å; A185-S188 WeakPolarHBondContact O-CB 3.4Å; A185-S188 PolarHBondContact O-N 3.14Å; A185-S188 VanDerWaalsContact O-N 3.14Å; A185-V189 WeakPolarHBondContact O-CG2 3.3Å; A185-V189 PolarHBondContact O-N 2.84Å
186A93.2Very high90.4Very high48 Ų48101.8 Ų101.840%0.39755%0.548SS..Hα-helixtrans-59.4-47.1177.400000111.8L182 K183 S188 V189 E190L182-A186 WeakPolarHBondContact O-CB 3.35Å; L182-A186 PolarHBondContact O-N 3.48Å; K183-A186 PolarHBondContact O-N 2.98Å; A186-S188 VanDerWaalsContact C-N 3.28Å; A186-S188 PolarHBondContact O-N 3.46Å; A186-V189 PolarHBondContact O-N 3.03Å; A186-E190 WeakPolarHBondContact O-CG 3.23Å; A186-E190 PolarHBondContact O-N 3.14Å
187K95.1Very high90.2Very high110 Ų110100.7 Ų100.748%0.47855%0.547SS..Hα-helixtrans-60.9-35.8175.1-72.2172.7-173.3168.70113K183 D184 A185 K191K183-K187 WeakPolarHBondContact O-CG 3.21Å; K183-K187 PolarHBondContact O-N 2.83Å; D184-K187 PolarHBondContact O-N 3.5Å; D184-K187 IonicContact OD1-NZ 2.85Å; A185-K187 PolarHBondContact O-N 2.89Å; K187-K191 VanDerWaalsContact O-CG 3.31Å; K187-K191 WeakPolarHBondContact O-CG 3.32Å; K187-K191 PolarHBondContact O-N 3.43Å
188S93.6Very high89.8Confident79 Ų79101.9 Ų101.955%0.55255%0.554SS**Hα-helixtrans-64.7-43.9177-166.90000111.1D184 A185 A186 K191 A192D184-S188 PolarHBondContact O-N 3.31Å; A185-S188 WeakPolarHBondContact O-CB 3.4Å; A185-S188 PolarHBondContact O-N 3.14Å; A185-S188 VanDerWaalsContact O-N 3.14Å; A186-S188 VanDerWaalsContact C-N 3.28Å; A186-S188 PolarHBondContact O-N 3.46Å; S188-K191 PolarHBondContact O-N 3.34Å; S188-A192 PolarHBondContact O-N 3.13Å
189V92.9Very high89.6Confident102 Ų102104.2 Ų104.262%0.61857%0.567SS**Hα-helixtrans-64.1-44.4175.81750000111.2A185 A186 K191 A192 S193A185-V189 WeakPolarHBondContact O-CG2 3.3Å; A185-V189 PolarHBondContact O-N 2.84Å; A186-V189 PolarHBondContact O-N 3.03Å; V189-K191 PolarHBondContact O-N 2.98Å; V189-A192 PolarHBondContact O-N 2.94Å; V189-S193 PolarHBondContact O-N 2.91Å
190E91.6Very high89.3Confident116 Ų116106.9 Ų106.954%0.54258%0.579SS.*Hα-helixtrans-57.5-46.8176.2-74.9172.8-178.700111.9A186 A192 S193 Q194A186-E190 WeakPolarHBondContact O-CG 3.23Å; A186-E190 PolarHBondContact O-N 3.14Å; E190-A192 PolarHBondContact O-N 2.7Å; E190-S193 PolarHBondContact O-N 2.86Å; E190-S193 PolarHBondContact O-OG 3.03Å; E190-Q194 WeakPolarHBondContact O-CG 3.44Å; E190-Q194 PolarHBondContact O-N 3.2Å
191K92.7Very high88.8Confident149 Ų149110.2 Ų110.265%0.64859%0.591SS**Hα-helixtrans-61.1-43.7176.6-73.5173.5-178.2-178.90112.1K187 S188 V189 S193 Q194K187-K191 VanDerWaalsContact O-CG 3.31Å; K187-K191 WeakPolarHBondContact O-CG 3.32Å; K187-K191 PolarHBondContact O-N 3.43Å; S188-K191 PolarHBondContact O-N 3.34Å; V189-K191 PolarHBondContact O-N 2.98Å; K191-S193 VanDerWaalsContact C-N 3.26Å; K191-S193 PolarHBondContact O-N 3.17Å; K191-Q194 PolarHBondContact O-N 2.94Å
192A88.5Confident88.2Confident63 Ų63109.4 Ų109.452%0.52160%0.595SS.*Hα-helixtrans-65.6-30.5178.700000112.4S188 V189 E190 Q194S188-A192 PolarHBondContact O-N 3.13Å; V189-A192 PolarHBondContact O-N 2.94Å; E190-A192 PolarHBondContact O-N 2.7Å; A192-Q194 VanDerWaalsContact C-N 3.33Å
193S80.1Confident87.8Confident88 Ų88109.4 Ų109.462%0.61560%0.597SS**Hα-helixtrans-76.2-17.2177.973.80000114.7V189 E190 K191V189-S193 PolarHBondContact O-N 2.91Å; E190-S193 PolarHBondContact O-N 2.86Å; E190-S193 PolarHBondContact O-OG 3.03Å; K191-S193 VanDerWaalsContact C-N 3.26Å; K191-S193 PolarHBondContact O-N 3.17Å
194Q75.3Confident87Confident165 Ų165107.8 Ų107.877%0.77160%0.601SS**THydrogen-bonded Turntrans-93.3-6.1177.6-69.2177.31.400113.1E190 K191 A192E190-Q194 WeakPolarHBondContact O-CG 3.44Å; E190-Q194 PolarHBondContact O-N 3.2Å; K191-Q194 PolarHBondContact O-N 2.94Å; A192-Q194 VanDerWaalsContact C-N 3.33Å
195M50.9Low86.2Confident223 Ų223108.8 Ų108.8100%1.09961%0.608SS**  trans-87.10170.7-67.9-175.265.900110.3

Retrieved 195 of 195 residues in 429.4 ms (Link to these results)

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