A0A087WZQ7_HUMAN Loading...

N-ethylmaleimide-sensitive factor attachment protein, beta, isoform CRA_d

Required for vesicular transport between the endoplasmic reticulum and the Golgi apparatus.

AlphaFold DB (A0A2K6RMS0), UniProt , Accession A0A087WZQ7, Species HUMAN (Homo sapiens, Human), Gene NAPB, Length 302 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
1M51.3Low74.6Confident214 Ų21483.5 Ų83.5100%1.05443%0.43SS*.  0115.80-81.9178.3171.300107N3M1-N3 PolarHBondContact O-N 3.4Å
2D61.8Low75.7Confident116 Ų11687 Ų8762%0.6244%0.443SS*.  trans-80.694-172.3-171.1-0.3000110.4A4 G5 K6D2-A4 VanDerWaalsContact C-N 3.28Å; D2-A4 PolarHBondContact O-N 3.41Å; D2-A4 PolarHBondContact OD1-N 3.25Å; D2-G5 PolarHBondContact O-N 3.44Å; D2-G5 PolarHBondContact OD1-N 3.27Å; D2-K6 PolarHBondContact O-N 3.18Å
3N67.2Low76.6Confident57 Ų5782.4 Ų82.431%0.30542%0.42SS..Hα-helixtrans-66.2-32.7-179-70.9-14.7000111.8M1 K6 E7M1-N3 PolarHBondContact O-N 3.4Å; N3-K6 PolarHBondContact O-N 3.06Å; N3-E7 PolarHBondContact O-N 3.47Å
4A69.4Low77.4Confident49 Ų4979.4 Ų79.441%0.40540%0.404SS..Hα-helixtrans-70.5-33.2178.600000111.9D2 R8D2-A4 VanDerWaalsContact C-N 3.28Å; D2-A4 PolarHBondContact O-N 3.41Å; D2-A4 PolarHBondContact OD1-N 3.25Å; A4-R8 WeakPolarHBondContact O-CG 3.48Å; A4-R8 PolarHBondContact O-N 3.02Å
5G77.5Confident78.1Confident29 Ų2976.9 Ų76.930%0.29940%0.4SS..Hα-helixtrans-61.1-43.9172.200000112.7D2 R8 E9D2-G5 PolarHBondContact O-N 3.44Å; D2-G5 PolarHBondContact OD1-N 3.27Å; G5-R8 PolarHBondContact O-N 3.44Å; G5-E9 PolarHBondContact O-N 3.3Å
6K77.2Confident78.7Confident58 Ų5877.9 Ų77.925%0.25240%0.403SS..Hα-helixtrans-67.6-37.9179.3-68.7-172.5176.2-172.40113.2D2 N3 E9 A10D2-K6 PolarHBondContact O-N 3.18Å; N3-K6 PolarHBondContact O-N 3.06Å; K6-E9 PolarHBondContact O-N 2.71Å; K6-A10 WeakPolarHBondContact O-CB 2.81Å; K6-A10 PolarHBondContact O-N 3.05Å
7E78.8Confident79.2Confident47 Ų4773.4 Ų73.422%0.2238%0.379CS..Hα-helixtrans-63.9-41.9175.3-72175.8175.300111.4N3 A10 V11 F52 A55 S61N3-E7 PolarHBondContact O-N 3.47Å; E7-A10 PolarHBondContact O-N 3.29Å; E7-V11 WeakPolarHBondContact O-CG2 3.13Å; E7-V11 PolarHBondContact O-N 3.44Å; E7-F52 HydrophobicContact CG-CD1 4.46Å; E7-A55 HydrophobicContact CG-CB 3.52Å; E7-A55 WeakPolarHBondContact OE1-CB 3.38Å; E7-S61 PolarHBondContact OE1-OG 3.5Å
8R82.3Confident79.6Confident183 Ų18374.2 Ų74.269%0.69138%0.381SS*.Hα-helixtrans-64.7-42.5176.7-72.3177.5-177.4177.41.9112.5A4 G5 A10 V11 Q12A4-R8 WeakPolarHBondContact O-CG 3.48Å; A4-R8 PolarHBondContact O-N 3.02Å; G5-R8 PolarHBondContact O-N 3.44Å; R8-A10 VanDerWaalsContact C-N 3.33Å; R8-V11 PolarHBondContact O-N 3.4Å; R8-Q12 WeakPolarHBondContact O-CG 3.23Å; R8-Q12 PolarHBondContact O-N 3.08Å
9E84.7Confident79.9Confident88 Ų8878.4 Ų78.441%0.41140%0.396SS..Hα-helixtrans-63.7-39.9176.3-175.6-177.9176.600111.2G5 K6 Q12 L13 M51G5-E9 PolarHBondContact O-N 3.3Å; K6-E9 PolarHBondContact O-N 2.71Å; E9-Q12 PolarHBondContact O-N 3.19Å; E9-L13 WeakPolarHBondContact O-CG 3.2Å; E9-L13 PolarHBondContact O-N 2.82Å; E9-M51 HydrophobicContact CB-CE 3.72Å; E9-M51 HydrophobicContact CG-CE 3.53Å; E9-M51 HydrophobicContact CG-SD 4.48Å; E9-M51 VanDerWaalsContact OE2-CE 3.24Å; E9-M51 WeakPolarHBondContact OE2-CE 3.47Å
10A84.3Confident80Confident0 Ų079.7 Ų79.70%040%0.396CS..Hα-helixtrans-63-42.9174.700000112.6K6 E7 R8 Q12 L13 M14 A48 M51 F52K6-A10 WeakPolarHBondContact O-CB 2.81Å; K6-A10 PolarHBondContact O-N 3.05Å; E7-A10 PolarHBondContact O-N 3.29Å; R8-A10 VanDerWaalsContact C-N 3.33Å; A10-Q12 VanDerWaalsContact C-N 3.33Å; A10-Q12 PolarHBondContact O-N 2.83Å; A10-L13 PolarHBondContact O-N 2.63Å; A10-M14 WeakPolarHBondContact O-CG 3.35Å; A10-M14 PolarHBondContact O-N 2.72Å; A10-A48 HydrophobicContact CB-CB 4.3Å; A10-A48 WeakPolarHBondContact O-CB 3.37Å; A10-M51 HydrophobicContact CB-CB 3.88Å; A10-F52 HydrophobicContact CB-CD1 3.9Å; A10-F52 HydrophobicContact CB-CD2 3.88Å; A10-F52 HydrophobicContact CB-CE1 3.63Å; A10-F52 HydrophobicContact CB-CE2 3.61Å; A10-F52 HydrophobicContact CB-CG 4Å; A10-F52 HydrophobicContact CB-CZ 3.48Å; A10-F52 VanDerWaalsContact CB-CZ 3.48Å
11V85.8Confident80.1Confident78 Ų7876.9 Ų76.947%0.47338%0.383SS..Hα-helixtrans-61.8-40.7175173.10000111.5E7 R8 M14 A15 F52E7-V11 WeakPolarHBondContact O-CG2 3.13Å; E7-V11 PolarHBondContact O-N 3.44Å; R8-V11 PolarHBondContact O-N 3.4Å; V11-M14 PolarHBondContact O-N 3.41Å; V11-A15 PolarHBondContact O-N 2.75Å; V11-A15 VanDerWaalsContact O-N 3.11Å; V11-F52 HydrophobicContact CG2-CE1 4.05Å; V11-F52 HydrophobicContact CG2-CZ 3.72Å
12Q87.7Confident81.4Confident125 Ų12573 Ų7358%0.58436%0.36SS*.Hα-helixtrans-63.2-45.1176.4-73.1175.7-1.900111.6R8 E9 A10 M14 A15 E16R8-Q12 WeakPolarHBondContact O-CG 3.23Å; R8-Q12 PolarHBondContact O-N 3.08Å; E9-Q12 PolarHBondContact O-N 3.19Å; A10-Q12 VanDerWaalsContact C-N 3.33Å; A10-Q12 PolarHBondContact O-N 2.83Å; Q12-M14 VanDerWaalsContact C-N 3.32Å; Q12-M14 PolarHBondContact O-N 3.43Å; Q12-A15 PolarHBondContact O-N 3.33Å; Q12-A15 VanDerWaalsContact O-N 3.15Å; Q12-E16 WeakPolarHBondContact O-CG 3.42Å; Q12-E16 PolarHBondContact O-N 2.9Å
13L88.3Confident81.9Confident27 Ų2769.8 Ų69.814%0.14135%0.35CS..Hα-helixtrans-59-41.4176.4-75.6170.6000112.3E9 A10 E16 A17 M44 R47 A48 M51E9-L13 WeakPolarHBondContact O-CG 3.2Å; E9-L13 PolarHBondContact O-N 2.82Å; A10-L13 PolarHBondContact O-N 2.63Å; L13-E16 PolarHBondContact O-N 3.03Å; L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 3.33Å; L13-M44 HydrophobicContact CD2-CE 4.13Å; L13-R47 HydrophobicContact CD1-CG 4.29Å; L13-A48 HydrophobicContact CB-CB 4.01Å; L13-M51 HydrophobicContact CD1-SD 3.58Å; L13-M51 VanDerWaalsContact CD1-SD 3.58Å
14M87.6Confident81.7Confident40 Ų4068.5 Ų68.520%0.19735%0.345CS..Hα-helixtrans-63.1-42.1175.1-67.5-155.8-45.400112.6A10 V11 Q12 E16 A17 E18 Y45 A48 F52 A68A10-M14 WeakPolarHBondContact O-CG 3.35Å; A10-M14 PolarHBondContact O-N 2.72Å; V11-M14 PolarHBondContact O-N 3.41Å; Q12-M14 VanDerWaalsContact C-N 3.32Å; Q12-M14 PolarHBondContact O-N 3.43Å; M14-E16 VanDerWaalsContact C-N 3.33Å; M14-A17 PolarHBondContact O-N 3.12Å; M14-E18 PolarHBondContact O-N 3.03Å; M14-Y45 HydrophobicContact CB-CD1 4.34Å; M14-Y45 HydrophobicContact CB-CE1 3.99Å; M14-Y45 HydrophobicContact CG-CD1 4.06Å; M14-Y45 HydrophobicContact CG-CE1 4.16Å; M14-Y45 HydrophobicContact SD-CD1 4.49Å; M14-A48 HydrophobicContact CG-CB 3.7Å; M14-F52 HydrophobicContact CE-CE2 4.3Å; M14-F52 HydrophobicContact CE-CZ 4.44Å; M14-F52 HydrophobicContact CG-CE2 4.31Å; M14-F52 HydrophobicContact SD-CE2 3.92Å; M14-A68 HydrophobicContact CG-CB 4.44Å; M14-A68 HydrophobicContact SD-CB 3.66Å
15A88.4Confident81.3Confident43 Ų4372.6 Ų72.636%0.35536%0.356SS..Hα-helixtrans-67.2-35.3179.300000112.1V11 Q12 K19V11-A15 PolarHBondContact O-N 2.75Å; V11-A15 VanDerWaalsContact O-N 3.11Å; Q12-A15 PolarHBondContact O-N 3.33Å; Q12-A15 VanDerWaalsContact O-N 3.15Å; A15-K19 WeakPolarHBondContact O-CG 3.38Å; A15-K19 PolarHBondContact O-N 3.31Å
16E87.5Confident80.4Confident93 Ų9375.2 Ų75.244%0.43537%0.37SS..Hα-helixtrans-68.8-41.7173-70.6-178.1-175.400112.1Q12 L13 M14 E18 K19 R20 M44Q12-E16 WeakPolarHBondContact O-CG 3.42Å; Q12-E16 PolarHBondContact O-N 2.9Å; L13-E16 PolarHBondContact O-N 3.03Å; M14-E16 VanDerWaalsContact C-N 3.33Å; E16-E18 PolarHBondContact O-N 3.42Å; E16-K19 PolarHBondContact O-N 3.26Å; E16-R20 WeakPolarHBondContact O-CG 3.42Å; E16-R20 PolarHBondContact O-N 3.25Å; E16-M44 HydrophobicContact CB-CE 3.44Å; E16-M44 VanDerWaalsContact CB-CE 3.44Å; E16-M44 WeakPolarHBondContact OE2-CE 3.33Å
17A86.2Confident79.1Confident0 Ų082.2 Ų82.20%040%0.4CS..Hα-helixtrans-59.6-45.6174.800000111.2L13 M14 K19 R20 V21 A41 M44 Y45L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 3.33Å; M14-A17 PolarHBondContact O-N 3.12Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 3.41Å; A17-R20 WeakPolarHBondContact O-CB 3.48Å; A17-R20 PolarHBondContact O-N 3.36Å; A17-R20 VanDerWaalsContact O-N 3.08Å; A17-V21 WeakPolarHBondContact O-CG2 3.19Å; A17-V21 PolarHBondContact O-N 3.47Å; A17-A41 HydrophobicContact CB-CB 4.4Å; A17-M44 HydrophobicContact CB-CB 3.82Å; A17-Y45 HydrophobicContact CB-CD1 4.21Å; A17-Y45 HydrophobicContact CB-CD2 3.72Å; A17-Y45 HydrophobicContact CB-CE1 3.99Å; A17-Y45 HydrophobicContact CB-CE2 3.47Å; A17-Y45 VanDerWaalsContact CB-CE2 3.47Å; A17-Y45 HydrophobicContact CB-CG 4.07Å
18E86.1Confident77.6Confident88 Ų8888.3 Ų88.341%0.41143%0.433SS..Hα-helixtrans-61.5-40.8178.3-165-171.7160.700112.2M14 E16 R20 V21 K22 Y45M14-E18 PolarHBondContact O-N 3.03Å; E16-E18 PolarHBondContact O-N 3.42Å; E18-R20 VanDerWaalsContact C-N 3.32Å; E18-R20 PolarHBondContact O-N 2.99Å; E18-V21 PolarHBondContact O-N 3.14Å; E18-K22 HydrophobicContact CG-CD 4.4Å; E18-K22 WeakPolarHBondContact O-CG 3.33Å; E18-K22 PolarHBondContact O-N 3.4Å; E18-K22 VanDerWaalsContact OE1-CE 3.3Å; E18-K22 WeakPolarHBondContact OE1-CE 3.4Å; E18-K22 IonicContact OE1-NZ 2.76Å; E18-K22 PolarHBondContact OE1-NZ 3.22Å; E18-Y45 WeakPolarHBondContact CA-OH 3.42Å; E18-Y45 WeakPolarHBondContact CB-OH 3.46Å; E18-Y45 PolarHBondContact N-OH 3.3Å
19K85.8Confident76.2Confident154 Ų15487.4 Ų87.467%0.6743%0.43SS*.Hα-helixtrans-61.8-39.5174.6-76172.8-177.8175.60111.7A15 E16 A17 K22 A23A15-K19 WeakPolarHBondContact O-CG 3.38Å; A15-K19 PolarHBondContact O-N 3.31Å; E16-K19 PolarHBondContact O-N 3.26Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 3.41Å; K19-K22 PolarHBondContact O-N 3.3Å; K19-A23 VanDerWaalsContact O-CB 3.25Å; K19-A23 WeakPolarHBondContact O-CB 3.33Å; K19-A23 PolarHBondContact O-N 3.06Å
20R82.1Confident74.5Confident104 Ų10487 Ų8739%0.39245%0.449SS..Hα-helixtrans-67.4-40.5177.4-70.7-168.3-171.5-1598.9112.2E16 A17 E18 A23 S24 E40 A41E16-R20 WeakPolarHBondContact O-CG 3.42Å; E16-R20 PolarHBondContact O-N 3.25Å; A17-R20 WeakPolarHBondContact O-CB 3.48Å; A17-R20 PolarHBondContact O-N 3.36Å; A17-R20 VanDerWaalsContact O-N 3.08Å; E18-R20 VanDerWaalsContact C-N 3.32Å; E18-R20 PolarHBondContact O-N 2.99Å; R20-A23 PolarHBondContact O-N 3.31Å; R20-S24 PolarHBondContact O-N 3.49Å; R20-E40 IonicContact CZ-OE2 3.88Å; R20-E40 IonicContact NH1-OE2 2.68Å; R20-E40 PolarHBondContact NH1-OE2 3.17Å; R20-A41 HydrophobicContact CB-CB 4.48Å
21V81.6Confident73.1Confident22 Ų2294.1 Ų94.113%0.13349%0.487CS..Hα-helixtrans-63.4-44.9173.8176.60000111.2A17 E18 A23 S24 H25 A41 Y45 L75A17-V21 WeakPolarHBondContact O-CG2 3.19Å; A17-V21 PolarHBondContact O-N 3.47Å; E18-V21 PolarHBondContact O-N 3.14Å; V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 PolarHBondContact O-N 3.3Å; V21-S24 PolarHBondContact O-N 3.13Å; V21-S24 PolarHBondContact O-OG 2.88Å; V21-H25 PolarHBondContact O-N 3.44Å; V21-A41 HydrophobicContact CG2-CB 3.61Å; V21-Y45 HydrophobicContact CG2-CE2 4.5Å; V21-L75 HydrophobicContact CG1-CD2 3.88Å; V21-L75 HydrophobicContact CG2-CD1 3.68Å; V21-L75 HydrophobicContact CG2-CD2 3.76Å; V21-L75 HydrophobicContact CG2-CG 4.38Å
22K79.9Confident71.4Confident132 Ų132100.1 Ų100.157%0.57451%0.507SS*.Hα-helixtrans-64.6-35.5176-74.8173.3171.91690112.2E18 K19 S24 H25E18-K22 HydrophobicContact CG-CD 4.4Å; E18-K22 WeakPolarHBondContact O-CG 3.33Å; E18-K22 PolarHBondContact O-N 3.4Å; E18-K22 VanDerWaalsContact OE1-CE 3.3Å; E18-K22 WeakPolarHBondContact OE1-CE 3.4Å; E18-K22 IonicContact OE1-NZ 2.76Å; E18-K22 PolarHBondContact OE1-NZ 3.22Å; K19-K22 PolarHBondContact O-N 3.3Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 2.84Å; K22-H25 PolarHBondContact O-N 3.05Å
23A71.4Confident70Confident48 Ų4895.4 Ų95.440%0.39749%0.492SS..Hα-helixtrans-72.6-17.8176.500000113.9K19 R20 V21 R37K19-A23 VanDerWaalsContact O-CB 3.25Å; K19-A23 WeakPolarHBondContact O-CB 3.33Å; K19-A23 PolarHBondContact O-N 3.06Å; R20-A23 PolarHBondContact O-N 3.31Å; V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 PolarHBondContact O-N 3.3Å; A23-R37 PolarHBondContact O-NH1 2.95Å
24S62.4Low68.8Low30 Ų3095.4 Ų95.421%0.2150%0.498CS..Hα-helixtrans-81.1-28.7173.570.10000112.5R20 V21 K22 S26R20-S24 PolarHBondContact O-N 3.49Å; V21-S24 PolarHBondContact O-N 3.13Å; V21-S24 PolarHBondContact O-OG 2.88Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 2.84Å; S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.49Å
25H62Low67.9Low136 Ų13698.4 Ų98.463%0.6352%0.515SS*.SBendtrans-76.6-9.4175.7-84.2-69000115.2V21 K22 F27V21-H25 PolarHBondContact O-N 3.44Å; K22-H25 PolarHBondContact O-N 3.05Å; H25-F27 PolarHBondContact O-N 2.97Å
26S57.9Low67.3Low84 Ų84100 Ų10059%0.58752%0.521SS*.  trans-72.7113.5-177.7-144.20000111.1S24 L28 R29S24-S26 VanDerWaalsContact C-N 3.33Å; S24-S26 PolarHBondContact O-N 3.49Å; S26-L28 PolarHBondContact O-N 3.34Å; S26-R29 PolarHBondContact O-N 2.89Å
27F49.4Very low66.9Low205 Ų20598.9 Ų98.990%0.89951%0.513SS*.THydrogen-bonded Turntrans-50.1-9.9-166.6-177.1-106.1000117.7H25H25-F27 PolarHBondContact O-N 2.97Å
28L48.7Very low66.7Low174 Ų17499.8 Ų99.891%0.91152%0.517SS*.THydrogen-bonded Turntrans-96.96.9-175.6-85.7164.9000115.7S26S26-L28 PolarHBondContact O-N 3.34Å
29R52.8Low66.5Low164 Ų16499.9 Ų99.962%0.61952%0.518SS*.  trans-131.620.5-175-140.5-179.1-165.5-111.86.6115.4S26 L31S26-R29 PolarHBondContact O-N 2.89Å; R29-L31 PolarHBondContact O-N 3.12Å
30G49.1Very low66.4Low79 Ų7996.2 Ų96.281%0.81450%0.503SS*.THydrogen-bonded Turntrans-79.916.2-163.200000119.2
31L53.8Low66.6Low150 Ų15091.3 Ų91.379%0.78548%0.484SS*.THydrogen-bonded Turntrans-109-22.7-173.7-144.377.4000117.2R29R29-L31 PolarHBondContact O-N 3.12Å
32F51.1Low66.9Low204 Ų20490.3 Ų90.390%0.89548%0.478SS*.SBendtrans-150.510.5-173.2-93.1-80.9000118
33G58.8Low67.2Low27 Ų2790.9 Ų90.928%0.27848%0.483SS..  trans-160.924.3-175.500000117.5
34G63Low68Low26 Ų2689.7 Ų89.727%0.26847%0.47SS..Hα-helixtrans-73-43.6177.100000113R37 I38G34-R37 PolarHBondContact O-N 3.15Å; G34-I38 PolarHBondContact O-N 3.38Å
35N68.8Low69.3Low103 Ų10389 Ų8955%0.55146%0.462SS*.Hα-helixtrans-65.9-43.6-175.6-71.412.3000112.7R37 I38 E39 L79N35-R37 PolarHBondContact O-N 3Å; N35-I38 PolarHBondContact O-N 3.38Å; N35-E39 WeakPolarHBondContact O-CG 3.5Å; N35-E39 PolarHBondContact O-N 3.48Å; N35-L79 HydrophobicContact CB-CD2 3.85Å
36T75.7Confident70.6Confident78 Ų7884.4 Ų84.448%0.47944%0.444SS..Hα-helixtrans-59.3-33.5178.6-41.90000112.4E40T36-E40 VanDerWaalsContact O-CG 3.31Å; T36-E40 WeakPolarHBondContact O-CG 3.39Å; T36-E40 PolarHBondContact O-N 3.02Å
37R77.4Confident72Confident69 Ų6987.9 Ų87.926%0.2644%0.444SS..Hα-helixtrans-72.9-31.4176.7-69.6174.3166.4-162.1-12.7112.9A23 G34 N35 A41A23-R37 PolarHBondContact O-NH1 2.95Å; G34-R37 PolarHBondContact O-N 3.15Å; N35-R37 PolarHBondContact O-N 3Å; R37-A41 WeakPolarHBondContact O-CB 3.3Å; R37-A41 PolarHBondContact O-N 3.39Å
38I81.8Confident73.8Confident18 Ų1878.1 Ų78.19%0.09240%0.402CS..Hα-helixtrans-75.2-39.9176-62.9171.2000109.2G34 N35 A41 C42 L75 L79G34-I38 PolarHBondContact O-N 3.38Å; N35-I38 PolarHBondContact O-N 3.38Å; I38-A41 WeakPolarHBondContact O-CB 3.48Å; I38-A41 PolarHBondContact O-N 3.41Å; I38-C42 PolarHBondContact O-N 2.9Å; I38-C42 PolarHBondContact O-SG 2.89Å; I38-L75 HydrophobicContact CG2-CB 3.93Å; I38-L75 HydrophobicContact CG2-CD2 4.16Å; I38-L75 HydrophobicContact CG2-CG 4.49Å; I38-L79 HydrophobicContact CB-CD1 4.34Å; I38-L79 HydrophobicContact CB-CD2 3.95Å; I38-L79 HydrophobicContact CB-CG 4.22Å; I38-L79 HydrophobicContact CG2-CD1 3.77Å; I38-L79 HydrophobicContact CG2-CD2 3.94Å; I38-L79 HydrophobicContact CG2-CG 3.65Å
39E83.1Confident75.6Confident91 Ų9169.9 Ų69.943%0.42536%0.358SS..Hα-helixtrans-59.4-49.4173.4-73.1170.6175.200111.8N35 A41 C42 E43 L79N35-E39 WeakPolarHBondContact O-CG 3.5Å; N35-E39 PolarHBondContact O-N 3.48Å; E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 3.29Å; E39-C42 WeakPolarHBondContact O-CB 3.17Å; E39-C42 PolarHBondContact O-N 3.29Å; E39-C42 VanDerWaalsContact O-N 3.12Å; E39-E43 PolarHBondContact O-N 3.24Å; E39-L79 HydrophobicContact CB-CD1 4.35Å; E39-L79 HydrophobicContact CG-CD1 3.5Å; E39-L79 VanDerWaalsContact CG-CD1 3.5Å; E39-L79 HydrophobicContact CG-CD2 4.17Å; E39-L79 HydrophobicContact CG-CG 4.47Å
40E84.6Confident77.2Confident77 Ų7765.6 Ų65.636%0.3635%0.348SS..Hα-helixtrans-58.1-39.9174.5-74.7174.6-179.500111.8R20 T36 E43 M44R20-E40 IonicContact CZ-OE2 3.88Å; R20-E40 IonicContact NH1-OE2 2.68Å; R20-E40 PolarHBondContact NH1-OE2 3.17Å; T36-E40 VanDerWaalsContact O-CG 3.31Å; T36-E40 WeakPolarHBondContact O-CG 3.39Å; T36-E40 PolarHBondContact O-N 3.02Å; E40-E43 PolarHBondContact O-N 2.78Å; E40-M44 VanDerWaalsContact O-CG 3.22Å; E40-M44 WeakPolarHBondContact O-CG 3.48Å; E40-M44 PolarHBondContact O-N 2.94Å
41A85.8Confident78.9Confident0 Ų062.8 Ų62.80%031%0.314CS..Hα-helixtrans-66.3-38.617700000112.1A17 R20 V21 R37 I38 E39 M44 Y45 L75A17-A41 HydrophobicContact CB-CB 4.4Å; R20-A41 HydrophobicContact CB-CB 4.48Å; V21-A41 HydrophobicContact CG2-CB 3.61Å; R37-A41 WeakPolarHBondContact O-CB 3.3Å; R37-A41 PolarHBondContact O-N 3.39Å; I38-A41 WeakPolarHBondContact O-CB 3.48Å; I38-A41 PolarHBondContact O-N 3.41Å; E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 3.29Å; A41-M44 PolarHBondContact O-N 3.27Å; A41-Y45 WeakPolarHBondContact O-CD2 3.38Å; A41-Y45 PolarHBondContact O-N 3.23Å; A41-L75 HydrophobicContact CB-CD1 4.06Å
42C86.6Confident80.4Confident1 Ų156 Ų561%0.00728%0.278CS..Hα-helixtrans-57.6-49.5172.5-67.30000111.3I38 E39 M44 Y45 T46 L75 H76I38-C42 PolarHBondContact O-N 2.9Å; I38-C42 PolarHBondContact O-SG 2.89Å; E39-C42 WeakPolarHBondContact O-CB 3.17Å; E39-C42 PolarHBondContact O-N 3.29Å; E39-C42 VanDerWaalsContact O-N 3.12Å; C42-M44 VanDerWaalsContact C-N 3.29Å; C42-M44 PolarHBondContact O-N 2.86Å; C42-Y45 PolarHBondContact O-N 3.09Å; C42-T46 PolarHBondContact O-N 3.3Å; C42-T46 PolarHBondContact O-OG1 3.1Å; C42-L75 WeakPolarHBondContact SG-CB 3.47Å; C42-H76 WeakPolarHBondContact CB-NE2 3.44Å
43E87.4Confident81.7Confident144 Ų14450 Ų5067%0.67325%0.251SS*.Hα-helixtrans-60.7-39.7178.9-68.9-176.3177.200111.9E39 E40 T46 R47E39-E43 PolarHBondContact O-N 3.24Å; E40-E43 PolarHBondContact O-N 2.78Å; E43-T46 PolarHBondContact O-N 3.03Å; E43-R47 VanDerWaalsContact O-CB 3.29Å; E43-R47 WeakPolarHBondContact O-CB 3.41Å; E43-R47 PolarHBondContact O-N 2.79Å
44M88.2Confident82.7Confident24 Ų2454.4 Ų54.412%0.11827%0.266CS..Hα-helixtrans-63.9-43176.1-70.3178.676.400112.1L13 E16 A17 E40 A41 C42 R47 A48L13-M44 HydrophobicContact CD2-CE 4.13Å; E16-M44 HydrophobicContact CB-CE 3.44Å; E16-M44 VanDerWaalsContact CB-CE 3.44Å; E16-M44 WeakPolarHBondContact OE2-CE 3.33Å; A17-M44 HydrophobicContact CB-CB 3.82Å; E40-M44 VanDerWaalsContact O-CG 3.22Å; E40-M44 WeakPolarHBondContact O-CG 3.48Å; E40-M44 PolarHBondContact O-N 2.94Å; A41-M44 PolarHBondContact O-N 3.27Å; C42-M44 VanDerWaalsContact C-N 3.29Å; C42-M44 PolarHBondContact O-N 2.86Å; M44-R47 PolarHBondContact O-N 3.36Å; M44-A48 WeakPolarHBondContact O-CB 3.41Å; M44-A48 PolarHBondContact O-N 3.37Å
45Y89.9Confident83.2Confident15 Ų1553.2 Ų53.26%0.05925%0.254CS..Hα-helixtrans-64.7-45174.9-81.1-60.7000112.2M14 A17 E18 V21 A41 C42 R47 A48 A49 Q71 L75M14-Y45 HydrophobicContact CB-CD1 4.34Å; M14-Y45 HydrophobicContact CB-CE1 3.99Å; M14-Y45 HydrophobicContact CG-CD1 4.06Å; M14-Y45 HydrophobicContact CG-CE1 4.16Å; M14-Y45 HydrophobicContact SD-CD1 4.49Å; A17-Y45 HydrophobicContact CB-CD1 4.21Å; A17-Y45 HydrophobicContact CB-CD2 3.72Å; A17-Y45 HydrophobicContact CB-CE1 3.99Å; A17-Y45 HydrophobicContact CB-CE2 3.47Å; A17-Y45 VanDerWaalsContact CB-CE2 3.47Å; A17-Y45 HydrophobicContact CB-CG 4.07Å; E18-Y45 WeakPolarHBondContact CA-OH 3.42Å; E18-Y45 WeakPolarHBondContact CB-OH 3.46Å; E18-Y45 PolarHBondContact N-OH 3.3Å; V21-Y45 HydrophobicContact CG2-CE2 4.5Å; A41-Y45 WeakPolarHBondContact O-CD2 3.38Å; A41-Y45 PolarHBondContact O-N 3.23Å; C42-Y45 PolarHBondContact O-N 3.09Å; Y45-R47 VanDerWaalsContact C-N 3.32Å; Y45-R47 PolarHBondContact O-N 2.96Å; Y45-A48 PolarHBondContact O-N 2.78Å; Y45-A49 WeakPolarHBondContact O-CB 3.49Å; Y45-A49 PolarHBondContact O-N 3.09Å; Y45-Q71 HydrophobicContact CD1-CB 4.1Å; Y45-Q71 HydrophobicContact CD2-CB 4.24Å; Y45-Q71 HydrophobicContact CE1-CB 4.04Å; Y45-Q71 HydrophobicContact CE1-CG 4.38Å; Y45-Q71 HydrophobicContact CE2-CB 4.18Å; Y45-Q71 HydrophobicContact CG-CB 4.21Å; Y45-L75 HydrophobicContact CD2-CD1 3.68Å; Y45-L75 HydrophobicContact CE2-CD1 3.7Å
46T88.4Confident83.2Confident40 Ų4055.7 Ų55.725%0.24526%0.259CS..Hα-helixtrans-60.9-40.7176.3-64.80000111.6C42 E43 A49 N50 F69C42-T46 PolarHBondContact O-N 3.3Å; C42-T46 PolarHBondContact O-OG1 3.1Å; E43-T46 PolarHBondContact O-N 3.03Å; T46-A49 PolarHBondContact O-N 3.13Å; T46-N50 PolarHBondContact O-N 3.31Å; T46-N50 PolarHBondContact O-ND2 2.93Å; T46-N50 VanDerWaalsContact O-ND2 3.16Å; T46-F69 HydrophobicContact CG2-CE1 4.15Å
47R88.2Confident82.6Confident157 Ų15756.2 Ų56.259%0.59226%0.26SS*.Hα-helixtrans-65-46.1175.4-173.3174178.7163.1-2111.5L13 E43 M44 Y45 A49 N50 M51L13-R47 HydrophobicContact CD1-CG 4.29Å; E43-R47 VanDerWaalsContact O-CB 3.29Å; E43-R47 WeakPolarHBondContact O-CB 3.41Å; E43-R47 PolarHBondContact O-N 2.79Å; M44-R47 PolarHBondContact O-N 3.36Å; Y45-R47 VanDerWaalsContact C-N 3.32Å; Y45-R47 PolarHBondContact O-N 2.96Å; R47-A49 VanDerWaalsContact C-N 3.31Å; R47-A49 PolarHBondContact O-N 2.88Å; R47-N50 PolarHBondContact O-N 3.43Å; R47-M51 HydrophobicContact CG-SD 4.32Å; R47-M51 VanDerWaalsContact O-CG 3.27Å; R47-M51 WeakPolarHBondContact O-CG 3.43Å; R47-M51 PolarHBondContact O-N 2.91Å
48A86.7Confident82.1Confident0 Ų060 Ų600%027%0.274CS..Hα-helixtrans-58.5-44.2175.400000111.5A10 L13 M14 M44 Y45 N50 M51 F52A10-A48 HydrophobicContact CB-CB 4.3Å; A10-A48 WeakPolarHBondContact O-CB 3.37Å; L13-A48 HydrophobicContact CB-CB 4.01Å; M14-A48 HydrophobicContact CG-CB 3.7Å; M44-A48 WeakPolarHBondContact O-CB 3.41Å; M44-A48 PolarHBondContact O-N 3.37Å; Y45-A48 PolarHBondContact O-N 2.78Å; A48-N50 PolarHBondContact O-N 3.27Å; A48-M51 WeakPolarHBondContact O-CB 3.47Å; A48-M51 PolarHBondContact O-N 3.13Å; A48-M51 VanDerWaalsContact O-N 3.14Å; A48-F52 HydrophobicContact CB-CE2 4.48Å; A48-F52 WeakPolarHBondContact O-CD2 3.49Å; A48-F52 PolarHBondContact O-N 2.9Å
49A86.4Confident81.3Confident0 Ų062.6 Ų62.60%029%0.294CS..Hα-helixtrans-61.6-42.7178.400000112.7Y45 T46 R47 M51 F52 K53 A68 F69Y45-A49 WeakPolarHBondContact O-CB 3.49Å; Y45-A49 PolarHBondContact O-N 3.09Å; T46-A49 PolarHBondContact O-N 3.13Å; R47-A49 VanDerWaalsContact C-N 3.31Å; R47-A49 PolarHBondContact O-N 2.88Å; A49-M51 VanDerWaalsContact C-N 3.32Å; A49-M51 PolarHBondContact O-N 2.75Å; A49-F52 PolarHBondContact O-N 3.17Å; A49-K53 PolarHBondContact O-N 3.49Å; A49-A68 HydrophobicContact CB-CB 3.69Å; A49-F69 HydrophobicContact CB-CD1 3.85Å; A49-F69 HydrophobicContact CB-CD2 3.47Å; A49-F69 VanDerWaalsContact CB-CD2 3.47Å; A49-F69 HydrophobicContact CB-CE1 3.73Å; A49-F69 HydrophobicContact CB-CE2 3.32Å; A49-F69 HydrophobicContact CB-CG 3.71Å; A49-F69 HydrophobicContact CB-CZ 3.45Å; A49-F69 VanDerWaalsContact CB-CZ 3.45Å
50N86.8Confident80.7Confident74 Ų7463.2 Ų63.240%0.39630%0.303SS..Hα-helixtrans-63.8-37.6174.2-76.6-38.8000112.3T46 R47 A48 K53 M54T46-N50 PolarHBondContact O-N 3.31Å; T46-N50 PolarHBondContact O-ND2 2.93Å; T46-N50 VanDerWaalsContact O-ND2 3.16Å; R47-N50 PolarHBondContact O-N 3.43Å; A48-N50 PolarHBondContact O-N 3.27Å; N50-K53 PolarHBondContact O-N 2.97Å; N50-M54 WeakPolarHBondContact O-CG 3.48Å; N50-M54 PolarHBondContact O-N 3.2Å
51M85.3Confident80.1Confident21 Ų2159.7 Ų59.710%0.10329%0.287CS..Hα-helixtrans-66.4-38.7175.8-69177.570.500112.2E9 A10 L13 R47 A48 A49 M54 A55E9-M51 HydrophobicContact CB-CE 3.72Å; E9-M51 HydrophobicContact CG-CE 3.53Å; E9-M51 HydrophobicContact CG-SD 4.48Å; E9-M51 VanDerWaalsContact OE2-CE 3.24Å; E9-M51 WeakPolarHBondContact OE2-CE 3.47Å; A10-M51 HydrophobicContact CB-CB 3.88Å; L13-M51 HydrophobicContact CD1-SD 3.58Å; L13-M51 VanDerWaalsContact CD1-SD 3.58Å; R47-M51 HydrophobicContact CG-SD 4.32Å; R47-M51 VanDerWaalsContact O-CG 3.27Å; R47-M51 WeakPolarHBondContact O-CG 3.43Å; R47-M51 PolarHBondContact O-N 2.91Å; A48-M51 WeakPolarHBondContact O-CB 3.47Å; A48-M51 PolarHBondContact O-N 3.13Å; A48-M51 VanDerWaalsContact O-N 3.14Å; A49-M51 VanDerWaalsContact C-N 3.32Å; A49-M51 PolarHBondContact O-N 2.75Å; M51-M54 PolarHBondContact O-N 2.85Å; M51-A55 PolarHBondContact O-N 3.1Å
52F84.1Confident79.7Confident7 Ų760 Ų603%0.03129%0.29CS..Hα-helixtrans-63.7-39.7171.8-73.8-56.1000112.5E7 A10 V11 M14 A48 A49 M54 A55 S61 A64 A65E7-F52 HydrophobicContact CG-CD1 4.46Å; A10-F52 HydrophobicContact CB-CD1 3.9Å; A10-F52 HydrophobicContact CB-CD2 3.88Å; A10-F52 HydrophobicContact CB-CE1 3.63Å; A10-F52 HydrophobicContact CB-CE2 3.61Å; A10-F52 HydrophobicContact CB-CG 4Å; A10-F52 HydrophobicContact CB-CZ 3.48Å; A10-F52 VanDerWaalsContact CB-CZ 3.48Å; V11-F52 HydrophobicContact CG2-CE1 4.05Å; V11-F52 HydrophobicContact CG2-CZ 3.72Å; M14-F52 HydrophobicContact CE-CE2 4.3Å; M14-F52 HydrophobicContact CE-CZ 4.44Å; M14-F52 HydrophobicContact CG-CE2 4.31Å; M14-F52 HydrophobicContact SD-CE2 3.92Å; A48-F52 HydrophobicContact CB-CE2 4.48Å; A48-F52 WeakPolarHBondContact O-CD2 3.49Å; A48-F52 PolarHBondContact O-N 2.9Å; A49-F52 PolarHBondContact O-N 3.17Å; F52-M54 VanDerWaalsContact C-N 3.29Å; F52-M54 PolarHBondContact O-N 3.39Å; F52-A55 WeakPolarHBondContact O-CB 3.3Å; F52-A55 PolarHBondContact O-N 3.41Å; F52-A55 VanDerWaalsContact O-N 3.17Å; F52-S61 WeakPolarHBondContact CB-O 3.43Å; F52-A64 HydrophobicContact CD1-CB 4.1Å; F52-A64 HydrophobicContact CD2-CB 4.17Å; F52-A64 HydrophobicContact CE1-CB 4.07Å; F52-A64 HydrophobicContact CE2-CB 4.14Å; F52-A64 HydrophobicContact CG-CB 4.17Å; F52-A64 HydrophobicContact CZ-CB 4.1Å; F52-A65 HydrophobicContact CB-CB 3.65Å
53K80Confident79.5Confident79 Ų7962 Ų6234%0.34330%0.303SS..Hα-helixtrans-63.9-31.4173.5-75.3174.364.5176.40113.2A49 N50 A55 A65 F69A49-K53 PolarHBondContact O-N 3.49Å; N50-K53 PolarHBondContact O-N 2.97Å; K53-A55 VanDerWaalsContact C-N 3.33Å; K53-A65 HydrophobicContact CG-CB 4.05Å; K53-F69 HydrophobicContact CD-CE2 3.81Å; K53-F69 HydrophobicContact CD-CZ 4.34Å
54M79.4Confident79.4Confident118 Ų11856.5 Ų56.558%0.58128%0.282SS*.Hα-helixtrans-74.7-24.1175.7-68.9-17786.700112.8N50 M51 F52 K56N50-M54 WeakPolarHBondContact O-CG 3.48Å; N50-M54 PolarHBondContact O-N 3.2Å; M51-M54 PolarHBondContact O-N 2.85Å; F52-M54 VanDerWaalsContact C-N 3.29Å; F52-M54 PolarHBondContact O-N 3.39Å; M54-K56 PolarHBondContact O-N 2.92Å
55A73.7Confident79.2Confident1 Ų155.3 Ų55.31%0.00828%0.277CS..SBendtrans-73.7117.817400000108.6E7 M51 F52 K53 N57E7-A55 HydrophobicContact CG-CB 3.52Å; E7-A55 WeakPolarHBondContact OE1-CB 3.38Å; M51-A55 PolarHBondContact O-N 3.1Å; F52-A55 WeakPolarHBondContact O-CB 3.3Å; F52-A55 PolarHBondContact O-N 3.41Å; F52-A55 VanDerWaalsContact O-N 3.17Å; K53-A55 VanDerWaalsContact C-N 3.33Å; A55-N57 PolarHBondContact O-N 3.39Å
56K67.1Low79.2Confident155 Ų15554.6 Ų54.667%0.67427%0.274SS*.SBendtrans-67.411.1-172.6-65.3-173.3174.5-175.30114.9M54 W58M54-K56 PolarHBondContact O-N 2.92Å; K56-W58 PolarHBondContact O-N 3.13Å; K56-W58 PolarHBondContact O-NE1 3.41Å
57N64.2Low79.2Confident90 Ų9056.1 Ų56.148%0.48128%0.28SS..  trans-93.378.8-178.9-148.111.7000109.9A55 S59 S61A55-N57 PolarHBondContact O-N 3.39Å; N57-S59 VanDerWaalsContact C-N 3.31Å; N57-S59 PolarHBondContact O-N 3.11Å; N57-S59 VanDerWaalsContact O-N 3.15Å; N57-S61 WeakPolarHBondContact O-CB 3.37Å; N57-S61 PolarHBondContact O-N 3.17Å; N57-S61 VanDerWaalsContact O-N 3.09Å; N57-S61 PolarHBondContact O-OG 3.25Å
58W66.9Low79.3Confident149 Ų14948.7 Ų48.756%0.56425%0.252SS*.THydrogen-bonded Turntrans-65.6-18.4-160.1-64.296.6000116.7K56 S62K56-W58 PolarHBondContact O-N 3.13Å; K56-W58 PolarHBondContact O-NE1 3.41Å; W58-S62 WeakPolarHBondContact O-CB 3.49Å; W58-S62 PolarHBondContact O-OG 2.87Å
59S64.9Low79.5Confident72 Ų7248.8 Ų48.850%0.50325%0.253SS..THydrogen-bonded Turntrans-85.1-66179.352.60000111N57 S62 S63 A99N57-S59 VanDerWaalsContact C-N 3.31Å; N57-S59 PolarHBondContact O-N 3.11Å; N57-S59 VanDerWaalsContact O-N 3.15Å; S59-S62 PolarHBondContact O-N 3.39Å; S59-S63 PolarHBondContact O-N 3.33Å; S59-S63 PolarHBondContact O-OG 3.34Å; S59-A99 WeakPolarHBondContact O-CB 3.34Å
60V70.5Confident79.8Confident103 Ų10349.3 Ų49.362%0.62426%0.256SS*.Hα-helixtrans-68.5-41-175.7-176.60000111.8S63 A64V60-S63 PolarHBondContact O-N 2.88Å; V60-A64 PolarHBondContact O-N 3.17Å; V60-A64 VanDerWaalsContact O-N 3.1Å
61S72Confident80Confident4 Ų449 Ų493%0.02825%0.252CS..Hα-helixtrans-75.8-26.7-177.2-50.10000111.6E7 F52 N57 A65E7-S61 PolarHBondContact OE1-OG 3.5Å; F52-S61 WeakPolarHBondContact CB-O 3.43Å; N57-S61 WeakPolarHBondContact O-CB 3.37Å; N57-S61 PolarHBondContact O-N 3.17Å; N57-S61 VanDerWaalsContact O-N 3.09Å; N57-S61 PolarHBondContact O-OG 3.25Å; S61-A65 VanDerWaalsContact O-CB 3.3Å; S61-A65 WeakPolarHBondContact O-CB 3.12Å; S61-A65 PolarHBondContact O-N 3.48Å
62S76.4Confident80.2Confident7 Ų748 Ų485%0.04925%0.247CC..Hα-helixtrans-74.7-35.8173.7-55.60000112.6W58 S59 A64 A65 G66 A95W58-S62 WeakPolarHBondContact O-CB 3.49Å; W58-S62 PolarHBondContact O-OG 2.87Å; S59-S62 PolarHBondContact O-N 3.39Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-A65 PolarHBondContact O-N 3.39Å; S62-G66 PolarHBondContact O-N 2.89Å; S62-A95 WeakPolarHBondContact CB-O 3.3Å
63S82.2Confident80.5Confident42 Ų4247.6 Ų47.629%0.29425%0.246SC..Hα-helixtrans-65-39.3171.5-58.10000111.9S59 V60 G66 N67 Y96 A99S59-S63 PolarHBondContact O-N 3.33Å; S59-S63 PolarHBondContact O-OG 3.34Å; V60-S63 PolarHBondContact O-N 2.88Å; S63-G66 PolarHBondContact O-N 3.11Å; S63-N67 PolarHBondContact O-N 2.65Å; S63-Y96 WeakPolarHBondContact O-CE1 3.21Å; S63-A99 WeakPolarHBondContact OG-CB 3.33Å
64A85.1Confident80.9Confident28 Ų2848.7 Ų48.723%0.23125%0.25CS..Hα-helixtrans-66.2-40.9174.100000112.1F52 V60 S62 N67 A68F52-A64 HydrophobicContact CD1-CB 4.1Å; F52-A64 HydrophobicContact CD2-CB 4.17Å; F52-A64 HydrophobicContact CE1-CB 4.07Å; F52-A64 HydrophobicContact CE2-CB 4.14Å; F52-A64 HydrophobicContact CG-CB 4.17Å; F52-A64 HydrophobicContact CZ-CB 4.1Å; V60-A64 PolarHBondContact O-N 3.17Å; V60-A64 VanDerWaalsContact O-N 3.1Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-N67 PolarHBondContact O-N 3.14Å; A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.39Å
65A86Confident81.4Confident0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-61.8-46.417400000111.8F52 K53 S61 S62 N67 A68 F69 A95F52-A65 HydrophobicContact CB-CB 3.65Å; K53-A65 HydrophobicContact CG-CB 4.05Å; S61-A65 VanDerWaalsContact O-CB 3.3Å; S61-A65 WeakPolarHBondContact O-CB 3.12Å; S61-A65 PolarHBondContact O-N 3.48Å; S62-A65 PolarHBondContact O-N 3.39Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 2.89Å; A65-A68 PolarHBondContact O-N 2.97Å; A65-F69 WeakPolarHBondContact O-CD2 3.48Å; A65-F69 PolarHBondContact O-N 3.27Å; A65-A95 HydrophobicContact CB-CB 4.23Å
66G88.1Confident82Confident0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-58.4-44.7176.600000111.5S62 S63 A68 F69 C70 Y96S62-G66 PolarHBondContact O-N 2.89Å; S63-G66 PolarHBondContact O-N 3.11Å; G66-A68 PolarHBondContact O-N 2.93Å; G66-F69 PolarHBondContact O-N 3.27Å; G66-C70 PolarHBondContact O-N 3.19Å; G66-C70 PolarHBondContact O-SG 3.48Å; G66-C70 VanDerWaalsContact O-SG 3.34Å; G66-Y96 VanDerWaalsContact C-OH 3.29Å
67N89.4Confident83Confident72 Ų7242.6 Ų42.639%0.38522%0.224SC..Hα-helixtrans-65.4-42.6179.3-171.912.4000111S63 A64 A65 F69 C70 Q71 Y96S63-N67 PolarHBondContact O-N 2.65Å; A64-N67 PolarHBondContact O-N 3.14Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 2.89Å; N67-F69 VanDerWaalsContact C-N 3.35Å; N67-F69 PolarHBondContact O-N 3.46Å; N67-C70 WeakPolarHBondContact O-CB 3.14Å; N67-C70 PolarHBondContact O-N 3.09Å; N67-Q71 WeakPolarHBondContact O-CG 3.49Å; N67-Q71 PolarHBondContact O-N 3.48Å; N67-Q71 PolarHBondContact OD1-NE2 3.15Å; N67-Y96 WeakPolarHBondContact CA-OH 3.35Å; N67-Y96 WeakPolarHBondContact CB-OH 3.19Å; N67-Y96 PolarHBondContact N-OH 3.45Å
68A90Very high84Confident0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-58.1-45.4175.100000111.9M14 A49 A64 A65 G66 Q71 A72M14-A68 HydrophobicContact CG-CB 4.44Å; M14-A68 HydrophobicContact SD-CB 3.66Å; A49-A68 HydrophobicContact CB-CB 3.69Å; A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.39Å; A65-A68 PolarHBondContact O-N 2.97Å; G66-A68 PolarHBondContact O-N 2.93Å; A68-Q71 PolarHBondContact O-N 3Å; A68-A72 PolarHBondContact O-N 3.35Å
69F91.6Very high84.8Confident2 Ų237.2 Ų37.21%0.00920%0.203CC..Hα-helixtrans-64.4-38.4174.3-77.9-59.6000112.8T46 A49 K53 A65 G66 N67 Q71 A72 A73 D91 A92T46-F69 HydrophobicContact CG2-CE1 4.15Å; A49-F69 HydrophobicContact CB-CD1 3.85Å; A49-F69 HydrophobicContact CB-CD2 3.47Å; A49-F69 VanDerWaalsContact CB-CD2 3.47Å; A49-F69 HydrophobicContact CB-CE1 3.73Å; A49-F69 HydrophobicContact CB-CE2 3.32Å; A49-F69 HydrophobicContact CB-CG 3.71Å; A49-F69 HydrophobicContact CB-CZ 3.45Å; A49-F69 VanDerWaalsContact CB-CZ 3.45Å; K53-F69 HydrophobicContact CD-CE2 3.81Å; K53-F69 HydrophobicContact CD-CZ 4.34Å; A65-F69 WeakPolarHBondContact O-CD2 3.48Å; A65-F69 PolarHBondContact O-N 3.27Å; G66-F69 PolarHBondContact O-N 3.27Å; N67-F69 VanDerWaalsContact C-N 3.35Å; N67-F69 PolarHBondContact O-N 3.46Å; F69-Q71 VanDerWaalsContact C-N 3.34Å; F69-Q71 PolarHBondContact O-N 2.97Å; F69-A72 WeakPolarHBondContact O-CB 3.34Å; F69-A72 PolarHBondContact O-N 2.88Å; F69-A73 WeakPolarHBondContact O-CB 3Å; F69-A73 PolarHBondContact O-N 3.42Å; F69-D91 HydrophobicContact CD1-CB 4.01Å; F69-D91 HydrophobicContact CD2-CB 4.23Å; F69-D91 HydrophobicContact CE1-CB 4Å; F69-D91 HydrophobicContact CE2-CB 4.25Å; F69-D91 HydrophobicContact CG-CB 4.14Å; F69-D91 HydrophobicContact CZ-CB 4.14Å; F69-A92 HydrophobicContact CB-CB 3.61Å
70C91.8Very high85.7Confident11 Ų1142 Ų427%0.07422%0.218CC..Hα-helixtrans-62.1-40.1174.3-760000112.6G66 N67 A73 K74 C107G66-C70 PolarHBondContact O-N 3.19Å; G66-C70 PolarHBondContact O-SG 3.48Å; G66-C70 VanDerWaalsContact O-SG 3.34Å; N67-C70 WeakPolarHBondContact O-CB 3.14Å; N67-C70 PolarHBondContact O-N 3.09Å; C70-A73 PolarHBondContact O-N 2.88Å; C70-K74 VanDerWaalsContact O-CG 3.3Å; C70-K74 WeakPolarHBondContact O-CG 3.46Å; C70-K74 PolarHBondContact O-N 3.2Å; C70-C107 PolarHBondContact SG-SG 3.45Å
71Q90.3Very high86.5Confident67 Ų6739 Ų3931%0.31320%0.201SC..Hα-helixtrans-65.8-44.8174.6-62-52.3-36.900110.7Y45 N67 A68 F69 A73 K74 L75Y45-Q71 HydrophobicContact CD1-CB 4.1Å; Y45-Q71 HydrophobicContact CD2-CB 4.24Å; Y45-Q71 HydrophobicContact CE1-CB 4.04Å; Y45-Q71 HydrophobicContact CE1-CG 4.38Å; Y45-Q71 HydrophobicContact CE2-CB 4.18Å; Y45-Q71 HydrophobicContact CG-CB 4.21Å; N67-Q71 WeakPolarHBondContact O-CG 3.49Å; N67-Q71 PolarHBondContact O-N 3.48Å; N67-Q71 PolarHBondContact OD1-NE2 3.15Å; A68-Q71 PolarHBondContact O-N 3Å; F69-Q71 VanDerWaalsContact C-N 3.34Å; F69-Q71 PolarHBondContact O-N 2.97Å; Q71-A73 VanDerWaalsContact C-N 3.32Å; Q71-A73 PolarHBondContact O-N 3.26Å; Q71-K74 PolarHBondContact O-N 3.3Å; Q71-L75 WeakPolarHBondContact O-CG 3.39Å; Q71-L75 PolarHBondContact O-N 3.04Å; Q71-L75 VanDerWaalsContact O-N 3.09Å
72A90.1Very high87.4Confident0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-57.3-45.2174.200000111.9A68 F69 K74 L75 H76A68-A72 PolarHBondContact O-N 3.35Å; F69-A72 WeakPolarHBondContact O-CB 3.34Å; F69-A72 PolarHBondContact O-N 2.88Å; A72-K74 PolarHBondContact O-N 3.39Å; A72-L75 PolarHBondContact O-N 3.13Å; A72-H76 PolarHBondContact O-CD2 3.01Å; A72-H76 PolarHBondContact O-N 3.48Å
73A90.4Very high88Confident0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-61.7-42.1179.900000112.5F69 C70 Q71 H76 M77 S85 F89F69-A73 WeakPolarHBondContact O-CB 3Å; F69-A73 PolarHBondContact O-N 3.42Å; C70-A73 PolarHBondContact O-N 2.88Å; Q71-A73 VanDerWaalsContact C-N 3.32Å; Q71-A73 PolarHBondContact O-N 3.26Å; A73-H76 PolarHBondContact O-N 3.24Å; A73-M77 PolarHBondContact O-N 2.85Å; A73-S85 PolarHBondContact O-OG 2.81Å; A73-F89 HydrophobicContact CB-CD1 3.77Å; A73-F89 HydrophobicContact CB-CD2 3.6Å; A73-F89 HydrophobicContact CB-CE1 3.75Å; A73-F89 HydrophobicContact CB-CE2 3.59Å; A73-F89 HydrophobicContact CB-CG 3.68Å; A73-F89 HydrophobicContact CB-CZ 3.66Å
74K89.3Confident88.4Confident101 Ų10148.8 Ų48.844%0.43924%0.242SC..Hα-helixtrans-63.7-39.7175.8-73.1171.1-175.9176.20112.1C70 Q71 A72 M77 Q78 F89C70-K74 VanDerWaalsContact O-CG 3.3Å; C70-K74 WeakPolarHBondContact O-CG 3.46Å; C70-K74 PolarHBondContact O-N 3.2Å; Q71-K74 PolarHBondContact O-N 3.3Å; A72-K74 PolarHBondContact O-N 3.39Å; K74-M77 WeakPolarHBondContact O-CB 3.42Å; K74-M77 PolarHBondContact O-N 3.27Å; K74-Q78 PolarHBondContact O-N 3.37Å; K74-Q78 VanDerWaalsContact O-N 3.15Å; K74-F89 HydrophobicContact CG-CZ 4.42Å
75L88.5Confident88.6Confident9 Ų947.5 Ų47.55%0.04723%0.231CC..Hα-helixtrans-69.2-40.8176.1-65.7176.8000111.9V21 I38 A41 C42 Y45 Q71 A72 M77 Q78 L79V21-L75 HydrophobicContact CG1-CD2 3.88Å; V21-L75 HydrophobicContact CG2-CD1 3.68Å; V21-L75 HydrophobicContact CG2-CD2 3.76Å; V21-L75 HydrophobicContact CG2-CG 4.38Å; I38-L75 HydrophobicContact CG2-CB 3.93Å; I38-L75 HydrophobicContact CG2-CD2 4.16Å; I38-L75 HydrophobicContact CG2-CG 4.49Å; A41-L75 HydrophobicContact CB-CD1 4.06Å; C42-L75 WeakPolarHBondContact SG-CB 3.47Å; Y45-L75 HydrophobicContact CD2-CD1 3.68Å; Y45-L75 HydrophobicContact CE2-CD1 3.7Å; Q71-L75 WeakPolarHBondContact O-CG 3.39Å; Q71-L75 PolarHBondContact O-N 3.04Å; Q71-L75 VanDerWaalsContact O-N 3.09Å; A72-L75 PolarHBondContact O-N 3.13Å; L75-M77 PolarHBondContact O-N 2.88Å; L75-Q78 WeakPolarHBondContact O-CB 3.41Å; L75-Q78 PolarHBondContact O-N 3.07Å; L75-Q78 VanDerWaalsContact O-N 3.07Å; L75-L79 PolarHBondContact O-N 3.4Å
76H88Confident88.9Confident31 Ų3147.5 Ų47.514%0.14423%0.231CC..Hα-helixtrans-59.4-34.3171.9-79.6-61.2000112.4C42 A72 A73 L79 Q80 S81C42-H76 WeakPolarHBondContact CB-NE2 3.44Å; A72-H76 PolarHBondContact O-CD2 3.01Å; A72-H76 PolarHBondContact O-N 3.48Å; A73-H76 PolarHBondContact O-N 3.24Å; H76-L79 PolarHBondContact O-N 3.48Å; H76-Q80 PolarHBondContact O-N 3.1Å; H76-S81 PolarHBondContact O-N 2.95Å
77M86.6Confident89.1Confident107 Ų10750 Ų5053%0.52725%0.246SC..Hα-helixtrans-67.8-37.6174.3-165.9160.86500112.2A73 K74 L75 L79 Q80A73-M77 PolarHBondContact O-N 2.85Å; K74-M77 WeakPolarHBondContact O-CB 3.42Å; K74-M77 PolarHBondContact O-N 3.27Å; L75-M77 PolarHBondContact O-N 2.88Å; M77-L79 VanDerWaalsContact C-N 3.28Å; M77-L79 PolarHBondContact O-N 3.08Å; M77-Q80 PolarHBondContact O-N 3Å; M77-Q80 VanDerWaalsContact O-N 3.11Å
78Q85.1Confident89.3Confident105 Ų10547.1 Ų47.149%0.49123%0.232SC..Hα-helixtrans-64.3-33.8172.8-67.3178.3-3.400112.5K74 L75 Q80K74-Q78 PolarHBondContact O-N 3.37Å; K74-Q78 VanDerWaalsContact O-N 3.15Å; L75-Q78 WeakPolarHBondContact O-CB 3.41Å; L75-Q78 PolarHBondContact O-N 3.07Å; L75-Q78 VanDerWaalsContact O-N 3.07Å; Q78-Q80 PolarHBondContact O-N 2.85Å
79L84.4Confident89.5Confident21 Ų2147.9 Ų47.911%0.1124%0.235CC..THydrogen-bonded Turntrans-75.7-1.3174.7-69.4170.7000113.8N35 I38 E39 L75 H76 M77 S81N35-L79 HydrophobicContact CB-CD2 3.85Å; I38-L79 HydrophobicContact CB-CD1 4.34Å; I38-L79 HydrophobicContact CB-CD2 3.95Å; I38-L79 HydrophobicContact CB-CG 4.22Å; I38-L79 HydrophobicContact CG2-CD1 3.77Å; I38-L79 HydrophobicContact CG2-CD2 3.94Å; I38-L79 HydrophobicContact CG2-CG 3.65Å; E39-L79 HydrophobicContact CB-CD1 4.35Å; E39-L79 HydrophobicContact CG-CD1 3.5Å; E39-L79 VanDerWaalsContact CG-CD1 3.5Å; E39-L79 HydrophobicContact CG-CD2 4.17Å; E39-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 PolarHBondContact O-N 3.4Å; H76-L79 PolarHBondContact O-N 3.48Å; M77-L79 VanDerWaalsContact C-N 3.28Å; M77-L79 PolarHBondContact O-N 3.08Å; L79-S81 PolarHBondContact O-N 2.76Å
80Q83.8Confident89.6Confident173 Ų17348.7 Ų48.781%0.80824%0.24SC*.THydrogen-bonded Turntrans6213.5-173-56-170.6-26.400114.8H76 M77 Q78 K82H76-Q80 PolarHBondContact O-N 3.1Å; M77-Q80 PolarHBondContact O-N 3Å; M77-Q80 VanDerWaalsContact O-N 3.11Å; Q78-Q80 PolarHBondContact O-N 2.85Å; Q80-K82 VanDerWaalsContact C-N 3.31Å; Q80-K82 PolarHBondContact O-N 2.9Å
81S87.9Confident89.5Confident39 Ų3950.8 Ų50.827%0.27325%0.25SS..  trans-81.773.7173.7-61.80000110.9H76 L79 H83 D84 S85H76-S81 PolarHBondContact O-N 2.95Å; L79-S81 PolarHBondContact O-N 2.76Å; S81-H83 VanDerWaalsContact C-N 3.34Å; S81-H83 PolarHBondContact O-N 2.75Å; S81-D84 PolarHBondContact O-N 3.35Å; S81-S85 WeakPolarHBondContact O-CB 3.4Å; S81-S85 PolarHBondContact O-N 2.96Å
82K89.8Confident89.6Confident101 Ų10147.6 Ų47.644%0.43924%0.235SC..Hα-helixtrans-55.2-43.9-176.5-68.7-168.6176.9-164.50113.4Q80 D84 S85 A86 I114 D117 M118Q80-K82 VanDerWaalsContact C-N 3.31Å; Q80-K82 PolarHBondContact O-N 2.9Å; K82-D84 PolarHBondContact O-N 2.85Å; K82-S85 PolarHBondContact O-N 3.34Å; K82-A86 PolarHBondContact O-N 2.9Å; K82-I114 HydrophobicContact CB-CG2 3.89Å; K82-I114 WeakPolarHBondContact O-CG2 3.38Å; K82-D117 IonicContact NZ-OD2 2.63Å; K82-M118 HydrophobicContact CB-CG 4.27Å; K82-M118 HydrophobicContact CB-SD 3.78Å; K82-M118 HydrophobicContact CD-CG 4.3Å
83H90.4Very high89.6Confident85 Ų8547.6 Ų47.639%0.39424%0.236SC..Hα-helixtrans-62.1-45.5-178.7-174.8-86.7000112.7S81 S85 A86 T87 M118S81-H83 VanDerWaalsContact C-N 3.34Å; S81-H83 PolarHBondContact O-N 2.75Å; H83-S85 VanDerWaalsContact C-N 3.35Å; H83-A86 PolarHBondContact O-N 3.31Å; H83-T87 PolarHBondContact O-N 3.42Å; H83-T87 PolarHBondContact O-OG1 3.22Å; H83-M118 HydrophobicContact CB-CE 3.9Å
84D89Confident89.5Confident73 Ų7351.6 Ų51.639%0.3926%0.257SS..Hα-helixtrans-72.4-34.1-178.3-56.7-31.3000111.2S81 K82 T87 S88S81-D84 PolarHBondContact O-N 3.35Å; K82-D84 PolarHBondContact O-N 2.85Å; D84-T87 PolarHBondContact O-N 3.3Å; D84-S88 WeakPolarHBondContact O-CB 3.44Å; D84-S88 PolarHBondContact O-N 3.21Å; D84-S88 PolarHBondContact O-OG 2.86Å
85S90.8Very high89.4Confident0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-61.2-49.4171.7-1740000111.4A73 S81 K82 H83 T87 S88 F89A73-S85 PolarHBondContact O-OG 2.81Å; S81-S85 WeakPolarHBondContact O-CB 3.4Å; S81-S85 PolarHBondContact O-N 2.96Å; K82-S85 PolarHBondContact O-N 3.34Å; H83-S85 VanDerWaalsContact C-N 3.35Å; S85-T87 PolarHBondContact O-N 2.8Å; S85-S88 PolarHBondContact O-N 3.04Å; S85-F89 VanDerWaalsContact O-CD2 3.3Å; S85-F89 WeakPolarHBondContact O-CD2 3.46Å; S85-F89 PolarHBondContact O-N 3.45Å
86A91.8Very high89.4Confident0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-61.6-42.6178.200000112.1K82 H83 S88 F89 V90 I114 Y115K82-A86 PolarHBondContact O-N 2.9Å; H83-A86 PolarHBondContact O-N 3.31Å; A86-S88 VanDerWaalsContact C-N 3.34Å; A86-S88 PolarHBondContact O-N 3.45Å; A86-F89 PolarHBondContact O-N 2.92Å; A86-V90 WeakPolarHBondContact O-CG2 3.42Å; A86-V90 PolarHBondContact O-N 3.49Å; A86-I114 HydrophobicContact CB-CB 4.06Å; A86-I114 HydrophobicContact CB-CD1 4.41Å; A86-I114 HydrophobicContact CB-CG2 3.82Å; A86-Y115 HydrophobicContact CB-CD1 4.26Å; A86-Y115 HydrophobicContact CB-CD2 4.19Å; A86-Y115 HydrophobicContact CB-CE1 3.8Å; A86-Y115 HydrophobicContact CB-CE2 3.73Å; A86-Y115 HydrophobicContact CB-CG 4.43Å
87T92.5Very high89.3Confident54 Ų5449 Ų4933%0.33125%0.246SC..Hα-helixtrans-61.2-44176.1-55.90000111.3H83 D84 S85 F89 V90 D91H83-T87 PolarHBondContact O-N 3.42Å; H83-T87 PolarHBondContact O-OG1 3.22Å; D84-T87 PolarHBondContact O-N 3.3Å; S85-T87 PolarHBondContact O-N 2.8Å; T87-F89 PolarHBondContact O-N 2.89Å; T87-V90 WeakPolarHBondContact O-CB 3.37Å; T87-V90 PolarHBondContact O-N 3.38Å; T87-D91 PolarHBondContact O-N 3.33Å
88S92.7Very high88.8Confident11 Ų1151.7 Ų51.78%0.07726%0.255CS..Hα-helixtrans-63.7-38.4177.4-60.30000112.4D84 S85 A86 D91 A92D84-S88 WeakPolarHBondContact O-CB 3.44Å; D84-S88 PolarHBondContact O-N 3.21Å; D84-S88 PolarHBondContact O-OG 2.86Å; S85-S88 PolarHBondContact O-N 3.04Å; A86-S88 VanDerWaalsContact C-N 3.34Å; A86-S88 PolarHBondContact O-N 3.45Å; S88-D91 PolarHBondContact O-N 2.79Å; S88-A92 PolarHBondContact O-N 3.48Å
89F94.3Very high88.7Confident15 Ų1548.2 Ų48.27%0.06624%0.244CC..Hα-helixtrans-66-36.7173.6-82.9-58.8000112.8A73 K74 S85 A86 T87 A92 G93 A110 A111 I114A73-F89 HydrophobicContact CB-CD1 3.77Å; A73-F89 HydrophobicContact CB-CD2 3.6Å; A73-F89 HydrophobicContact CB-CE1 3.75Å; A73-F89 HydrophobicContact CB-CE2 3.59Å; A73-F89 HydrophobicContact CB-CG 3.68Å; A73-F89 HydrophobicContact CB-CZ 3.66Å; K74-F89 HydrophobicContact CG-CZ 4.42Å; S85-F89 VanDerWaalsContact O-CD2 3.3Å; S85-F89 WeakPolarHBondContact O-CD2 3.46Å; S85-F89 PolarHBondContact O-N 3.45Å; A86-F89 PolarHBondContact O-N 2.92Å; T87-F89 PolarHBondContact O-N 2.89Å; F89-A92 WeakPolarHBondContact O-CB 3.48Å; F89-A92 PolarHBondContact O-N 2.98Å; F89-G93 PolarHBondContact O-N 3.44Å; F89-A110 HydrophobicContact CD1-CB 4.16Å; F89-A110 HydrophobicContact CD2-CB 4.27Å; F89-A110 HydrophobicContact CE1-CB 4.17Å; F89-A110 HydrophobicContact CE2-CB 4.27Å; F89-A110 HydrophobicContact CG-CB 4.23Å; F89-A110 HydrophobicContact CZ-CB 4.23Å; F89-A111 HydrophobicContact CB-CB 3.86Å; F89-I114 HydrophobicContact CD2-CD1 3.76Å; F89-I114 HydrophobicContact CE2-CD1 3.89Å
90V93.6Very high88.8Confident19 Ų1950 Ų5012%0.11525%0.254CS..Hα-helixtrans-65.1-42.5173.7172.40000111A86 T87 A92 G93 N94 A111 Y115 H127A86-V90 WeakPolarHBondContact O-CG2 3.42Å; A86-V90 PolarHBondContact O-N 3.49Å; T87-V90 WeakPolarHBondContact O-CB 3.37Å; T87-V90 PolarHBondContact O-N 3.38Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.39Å; V90-G93 PolarHBondContact O-N 2.89Å; V90-N94 PolarHBondContact O-N 3.32Å; V90-N94 PolarHBondContact O-ND2 2.73Å; V90-A111 HydrophobicContact CG2-CB 3.77Å; V90-Y115 HydrophobicContact CG2-CE2 4.09Å; V90-H127 WeakPolarHBondContact CG2-CE1 3.3Å; V90-H127 WeakPolarHBondContact CG2-NE2 3.49Å
91D91.1Very high89Confident55 Ų5543.1 Ų43.129%0.29422%0.224SC..Hα-helixtrans-64-37.6175.5-79.5-29.9000112.4F69 T87 S88 N94 A95F69-D91 HydrophobicContact CD1-CB 4.01Å; F69-D91 HydrophobicContact CD2-CB 4.23Å; F69-D91 HydrophobicContact CE1-CB 4Å; F69-D91 HydrophobicContact CE2-CB 4.25Å; F69-D91 HydrophobicContact CG-CB 4.14Å; F69-D91 HydrophobicContact CZ-CB 4.14Å; T87-D91 PolarHBondContact O-N 3.33Å; S88-D91 PolarHBondContact O-N 2.79Å; D91-N94 PolarHBondContact O-N 2.58Å; D91-A95 PolarHBondContact O-N 3.49Å; D91-A95 VanDerWaalsContact O-N 3.08Å
92A90.8Very high89.1Confident0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-60.8-49.4170.600000111.3F69 S88 F89 V90 N94 A95 Y96 C107F69-A92 HydrophobicContact CB-CB 3.61Å; S88-A92 PolarHBondContact O-N 3.48Å; F89-A92 WeakPolarHBondContact O-CB 3.48Å; F89-A92 PolarHBondContact O-N 2.98Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.39Å; A92-N94 VanDerWaalsContact C-N 3.31Å; A92-N94 PolarHBondContact O-N 3.03Å; A92-A95 WeakPolarHBondContact O-CB 3.36Å; A92-A95 PolarHBondContact O-N 3.25Å; A92-A95 VanDerWaalsContact O-N 3.09Å; A92-Y96 HydrophobicContact CB-CD2 4.4Å; A92-Y96 HydrophobicContact CB-CE2 4.42Å; A92-Y96 WeakPolarHBondContact O-CD2 3.18Å; A92-Y96 PolarHBondContact O-N 3.42Å; A92-C107 HydrophobicContact CB-CB 4.25Å
93G90.4Very high89.1Confident1 Ų144.2 Ų44.21%0.0123%0.227CC..Hα-helixtrans-57.9-41.6177.800000112.7F89 V90 A95 Y96 K97F89-G93 PolarHBondContact O-N 3.44Å; V90-G93 PolarHBondContact O-N 2.89Å; G93-A95 VanDerWaalsContact C-N 3.34Å; G93-A95 PolarHBondContact O-N 3.19Å; G93-Y96 PolarHBondContact O-N 3.44Å; G93-K97 WeakPolarHBondContact O-CB 3.49Å; G93-K97 PolarHBondContact O-N 2.83Å
94N88.8Confident89.1Confident83 Ų8340.2 Ų40.244%0.44421%0.208SC..Hα-helixtrans-65.2-35.4175.8-73.8-32.9000113.1V90 D91 A92V90-N94 PolarHBondContact O-N 3.32Å; V90-N94 PolarHBondContact O-ND2 2.73Å; D91-N94 PolarHBondContact O-N 2.58Å; A92-N94 VanDerWaalsContact C-N 3.31Å; A92-N94 PolarHBondContact O-N 3.03Å
95A88.1Confident89.3Confident7 Ų736.8 Ų36.86%0.05819%0.19CC..Hα-helixtrans-70-44.6174.300000111.1S62 A65 D91 A92 G93 K97S62-A95 WeakPolarHBondContact CB-O 3.3Å; A65-A95 HydrophobicContact CB-CB 4.23Å; D91-A95 PolarHBondContact O-N 3.49Å; D91-A95 VanDerWaalsContact O-N 3.08Å; A92-A95 WeakPolarHBondContact O-CB 3.36Å; A92-A95 PolarHBondContact O-N 3.25Å; A92-A95 VanDerWaalsContact O-N 3.09Å; G93-A95 VanDerWaalsContact C-N 3.34Å; G93-A95 PolarHBondContact O-N 3.19Å; A95-K97 PolarHBondContact O-N 2.96Å
96Y88.7Confident89.4Confident17 Ų1740.7 Ų40.77%0.06721%0.211CC..Hα-helixtrans-69.4-27.7179.5-76.2-58000113.8S63 G66 N67 A92 G93 K98 A99 D100 E103S63-Y96 WeakPolarHBondContact O-CE1 3.21Å; G66-Y96 VanDerWaalsContact C-OH 3.29Å; N67-Y96 WeakPolarHBondContact CA-OH 3.35Å; N67-Y96 WeakPolarHBondContact CB-OH 3.19Å; N67-Y96 PolarHBondContact N-OH 3.45Å; A92-Y96 HydrophobicContact CB-CD2 4.4Å; A92-Y96 HydrophobicContact CB-CE2 4.42Å; A92-Y96 WeakPolarHBondContact O-CD2 3.18Å; A92-Y96 PolarHBondContact O-N 3.42Å; G93-Y96 PolarHBondContact O-N 3.44Å; Y96-K98 PolarHBondContact O-N 2.96Å; Y96-A99 PolarHBondContact O-N 3.3Å; Y96-D100 HydrophobicContact CD1-CB 4.25Å; Y96-D100 CarbonylContact O-C 3.28Å; Y96-D100 VanDerWaalsContact O-C 3.28Å; Y96-D100 PolarHBondContact O-N 3.06Å; Y96-D100 VanDerWaalsContact O-O 3.11Å; Y96-E103 HydrophobicContact CD1-CB 4.08Å; Y96-E103 HydrophobicContact CD2-CB 4.26Å; Y96-E103 HydrophobicContact CE1-CB 4.25Å; Y96-E103 HydrophobicContact CE2-CB 4.43Å; Y96-E103 HydrophobicContact CG-CB 4.08Å
97K83.9Confident89.5Confident62 Ų6241 Ų4127%0.2721%0.212SC..THydrogen-bonded Turntrans-48-34.3-175.8-174.9170.4-178.7169.80114.5G93 A95 I134G93-K97 WeakPolarHBondContact O-CB 3.49Å; G93-K97 PolarHBondContact O-N 2.83Å; A95-K97 PolarHBondContact O-N 2.96Å; K97-I134 HydrophobicContact CD-CD1 4.35Å; K97-I134 HydrophobicContact CD-CG1 4.27Å; K97-I134 HydrophobicContact CG-CD1 4.26Å; K97-I134 HydrophobicContact CG-CG1 4.23Å
98K76.6Confident89.6Confident164 Ų16438.5 Ų38.571%0.71320%0.197SC*.THydrogen-bonded Turntrans-97.7-12.1179.5-65.7-174.3178.9-177.30115Y96Y96-K98 PolarHBondContact O-N 2.96Å
99A83.7Confident89.7Confident33 Ų3340.2 Ų40.227%0.27321%0.205SC..THydrogen-bonded Turntrans-111.8-44.9-173.100000112.2S59 S63 Y96S59-A99 WeakPolarHBondContact O-CB 3.34Å; S63-A99 WeakPolarHBondContact OG-CB 3.33Å; Y96-A99 PolarHBondContact O-N 3.3Å
100D87.1Confident89.7Confident59 Ų5940.8 Ų40.832%0.31621%0.213SC..  trans-145.898.1177.4-169.4-26.6000109.9Y96 Q102 E103 A104Y96-D100 HydrophobicContact CD1-CB 4.25Å; Y96-D100 CarbonylContact O-C 3.28Å; Y96-D100 VanDerWaalsContact O-C 3.28Å; Y96-D100 PolarHBondContact O-N 3.06Å; Y96-D100 VanDerWaalsContact O-O 3.11Å; D100-Q102 VanDerWaalsContact C-N 3.26Å; D100-Q102 PolarHBondContact O-N 3.4Å; D100-Q102 PolarHBondContact OD1-N 3.09Å; D100-E103 HydrophobicContact CB-CB 4.16Å; D100-E103 HydrophobicContact CB-CG 4.48Å; D100-E103 PolarHBondContact O-N 3.31Å; D100-E103 PolarHBondContact OD1-N 3.04Å; D100-A104 PolarHBondContact O-N 3.32Å; D100-A104 VanDerWaalsContact O-N 3.07Å
101P88.2Confident89.7Confident27 Ų2739.9 Ų39.918%0.17521%0.208CC..Hα-helixtrans-60.4-31.1179.5-25.334.9000114A104 I105 I134 E138 L139P101-A104 WeakPolarHBondContact O-CB 3.46Å; P101-A104 PolarHBondContact O-N 3.5Å; P101-I105 WeakPolarHBondContact O-CD1 3.28Å; P101-I105 VanDerWaalsContact O-CG1 3.3Å; P101-I105 WeakPolarHBondContact O-CG1 2.77Å; P101-I105 PolarHBondContact O-N 2.92Å; P101-I134 HydrophobicContact CB-CG2 3.83Å; P101-E138 HydrophobicContact CB-CB 3.88Å; P101-E138 HydrophobicContact CB-CG 4.32Å; P101-E138 HydrophobicContact CG-CB 3.73Å; P101-E138 HydrophobicContact CG-CG 4.06Å; P101-L139 HydrophobicContact CB-CD1 4.46Å; P101-L139 HydrophobicContact CB-CD2 4.13Å; P101-L139 HydrophobicContact CB-CG 4.17Å
102Q89.4Confident89.8Confident89 Ų8937.5 Ų37.542%0.41620%0.195SC..Hα-helixtrans-71.6-46.7-178.7-68.3-68.6-24.800110.8D100 A104 I105 N106 L139D100-Q102 VanDerWaalsContact C-N 3.26Å; D100-Q102 PolarHBondContact O-N 3.4Å; D100-Q102 PolarHBondContact OD1-N 3.09Å; Q102-A104 VanDerWaalsContact C-N 3.26Å; Q102-A104 PolarHBondContact O-N 3.45Å; Q102-I105 PolarHBondContact O-N 3.12Å; Q102-I105 VanDerWaalsContact O-N 3.17Å; Q102-N106 PolarHBondContact O-N 3.3Å; Q102-L139 HydrophobicContact CG-CD2 4.35Å
103E89.2Confident90Very high75 Ų7542.4 Ų42.435%0.3522%0.221SC..Hα-helixtrans-65.7-31.8175.7-72.6-61.1107.500111.9Y96 D100 I105 N106 C107Y96-E103 HydrophobicContact CD1-CB 4.08Å; Y96-E103 HydrophobicContact CD2-CB 4.26Å; Y96-E103 HydrophobicContact CE1-CB 4.25Å; Y96-E103 HydrophobicContact CE2-CB 4.43Å; Y96-E103 HydrophobicContact CG-CB 4.08Å; D100-E103 HydrophobicContact CB-CB 4.16Å; D100-E103 HydrophobicContact CB-CG 4.48Å; D100-E103 PolarHBondContact O-N 3.31Å; D100-E103 PolarHBondContact OD1-N 3.04Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 2.99Å; E103-N106 PolarHBondContact O-N 3.42Å; E103-N106 PolarHBondContact OE1-ND2 3.49Å; E103-C107 PolarHBondContact O-N 3.22Å; E103-C107 PolarHBondContact O-SG 2.99Å
104A91Very high90.2Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-59.7-44.2172.600000111.9D100 P101 Q102 C107 L108 I134D100-A104 PolarHBondContact O-N 3.32Å; D100-A104 VanDerWaalsContact O-N 3.07Å; P101-A104 WeakPolarHBondContact O-CB 3.46Å; P101-A104 PolarHBondContact O-N 3.5Å; Q102-A104 VanDerWaalsContact C-N 3.26Å; Q102-A104 PolarHBondContact O-N 3.45Å; A104-C107 PolarHBondContact O-N 3.17Å; A104-L108 WeakPolarHBondContact O-CB 3.22Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.37Å; A104-L108 PolarHBondContact O-N 2.74Å; A104-I134 HydrophobicContact CB-CD1 4.31Å
105I93.1Very high90.4Very high1 Ų139.8 Ų39.81%0.00521%0.206CC..Hα-helixtrans-65.6-43.8178-67.1159.3000110.8P101 Q102 E103 C107 L108 N109 I131 I134 Y135 L139P101-I105 WeakPolarHBondContact O-CD1 3.28Å; P101-I105 VanDerWaalsContact O-CG1 3.3Å; P101-I105 WeakPolarHBondContact O-CG1 2.77Å; P101-I105 PolarHBondContact O-N 2.92Å; Q102-I105 PolarHBondContact O-N 3.12Å; Q102-I105 VanDerWaalsContact O-N 3.17Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 2.99Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 3.41Å; I105-L108 PolarHBondContact O-N 3.49Å; I105-N109 WeakPolarHBondContact CG2-ND2 3.49Å; I105-N109 WeakPolarHBondContact O-CB 3.31Å; I105-N109 PolarHBondContact O-N 3.42Å; I105-N109 PolarHBondContact O-ND2 2.75Å; I105-I131 HydrophobicContact CG1-CG2 4.26Å; I105-I131 HydrophobicContact CG2-CG2 3.96Å; I105-I134 HydrophobicContact CD1-CG2 3.87Å; I105-I134 HydrophobicContact CG1-CB 4.44Å; I105-I134 HydrophobicContact CG1-CG2 4.04Å; I105-Y135 HydrophobicContact CD1-CD1 4.13Å; I105-Y135 HydrophobicContact CD1-CD2 4.25Å; I105-Y135 HydrophobicContact CD1-CE1 3.71Å; I105-Y135 HydrophobicContact CD1-CE2 3.86Å; I105-Y135 HydrophobicContact CD1-CG 4.38Å; I105-Y135 HydrophobicContact CG1-CE2 4.42Å; I105-Y135 HydrophobicContact CG2-CE2 4.12Å; I105-L139 HydrophobicContact CD1-CD1 3.38Å
106N93.1Very high90.7Very high83 Ų8341.2 Ų41.244%0.44421%0.214SC..Hα-helixtrans-57.9-43.8176.2-71-23.6000111.8Q102 E103 A110Q102-N106 PolarHBondContact O-N 3.3Å; E103-N106 PolarHBondContact O-N 3.42Å; E103-N106 PolarHBondContact OE1-ND2 3.49Å; N106-A110 PolarHBondContact O-N 3.26Å; N106-A110 VanDerWaalsContact O-N 3.11Å
107C93.7Very high90.8Very high5 Ų546.1 Ų46.13%0.03424%0.241CC..Hα-helixtrans-65.5-43.4176.8-64.40000112.3C70 A92 E103 A104 I105 A110 A111C70-C107 PolarHBondContact SG-SG 3.45Å; A92-C107 HydrophobicContact CB-CB 4.25Å; E103-C107 PolarHBondContact O-N 3.22Å; E103-C107 PolarHBondContact O-SG 2.99Å; A104-C107 PolarHBondContact O-N 3.17Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 3.41Å; C107-A110 PolarHBondContact O-N 3.08Å; C107-A111 PolarHBondContact O-N 3.36Å
108L94.6Very high91.2Very high2 Ų246.3 Ų46.31%0.0124%0.244CC..Hα-helixtrans-68.4-37179.3-70.4171.7000112.1A104 I105 A111 I112 T130 I131 I134A104-L108 WeakPolarHBondContact O-CB 3.22Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.37Å; A104-L108 PolarHBondContact O-N 2.74Å; I105-L108 PolarHBondContact O-N 3.49Å; L108-A111 WeakPolarHBondContact O-CB 3.29Å; L108-A111 PolarHBondContact O-N 2.82Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 2.91Å; L108-T130 HydrophobicContact CD1-CG2 4.05Å; L108-I131 HydrophobicContact CB-CD1 3.63Å; L108-I131 HydrophobicContact CB-CG1 3.61Å; L108-I131 HydrophobicContact CD1-CG1 3.79Å; L108-I131 HydrophobicContact CG-CG1 4.36Å; L108-I134 HydrophobicContact CD1-CD1 3.86Å
109N94.6Very high91.9Very high47 Ų4740.3 Ų40.325%0.25123%0.228SC..Hα-helixtrans-61.7-45.1172.8-79.8-32.7000111.2I105 A111 I112 D113 I131I105-N109 WeakPolarHBondContact CG2-ND2 3.49Å; I105-N109 WeakPolarHBondContact O-CB 3.31Å; I105-N109 PolarHBondContact O-N 3.42Å; I105-N109 PolarHBondContact O-ND2 2.75Å; N109-A111 VanDerWaalsContact C-N 3.28Å; N109-A111 PolarHBondContact O-N 3.03Å; N109-I112 WeakPolarHBondContact O-CB 3.47Å; N109-I112 PolarHBondContact O-N 3.42Å; N109-I112 VanDerWaalsContact O-N 3.1Å; N109-D113 PolarHBondContact O-N 3.31Å; N109-I131 WeakPolarHBondContact OD1-CD1 3.25Å
110A93.6Very high92.3Very high28 Ų2844.1 Ų44.123%0.23124%0.236CC..Hα-helixtrans-59.9-38.4174.400000112.3F89 N106 C107 I114F89-A110 HydrophobicContact CD1-CB 4.16Å; F89-A110 HydrophobicContact CD2-CB 4.27Å; F89-A110 HydrophobicContact CE1-CB 4.17Å; F89-A110 HydrophobicContact CE2-CB 4.27Å; F89-A110 HydrophobicContact CG-CB 4.23Å; F89-A110 HydrophobicContact CZ-CB 4.23Å; N106-A110 PolarHBondContact O-N 3.26Å; N106-A110 VanDerWaalsContact O-N 3.11Å; C107-A110 PolarHBondContact O-N 3.08Å; A110-I114 WeakPolarHBondContact O-CD1 3.09Å; A110-I114 VanDerWaalsContact O-CG1 3.29Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.38Å
111A93.9Very high92.6Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-66.1-41.1173.800000112.5F89 V90 C107 L108 N109 I114 Y115F89-A111 HydrophobicContact CB-CB 3.86Å; V90-A111 HydrophobicContact CG2-CB 3.77Å; C107-A111 PolarHBondContact O-N 3.36Å; L108-A111 WeakPolarHBondContact O-CB 3.29Å; L108-A111 PolarHBondContact O-N 2.82Å; N109-A111 VanDerWaalsContact C-N 3.28Å; N109-A111 PolarHBondContact O-N 3.03Å; A111-I114 PolarHBondContact O-N 3.13Å; A111-Y115 HydrophobicContact CB-CD2 4.42Å; A111-Y115 HydrophobicContact CB-CE2 4.31Å; A111-Y115 WeakPolarHBondContact O-CD2 3.14Å; A111-Y115 PolarHBondContact O-N 3.39Å
112I94.6Very high92.8Very high4 Ų445.6 Ų45.62%0.02124%0.241CC..Hα-helixtrans-61-45.6177.4-74.9164.3000110.9L108 N109 I114 Y115 T116 A124 H127 H128 I131L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 2.91Å; N109-I112 WeakPolarHBondContact O-CB 3.47Å; N109-I112 PolarHBondContact O-N 3.42Å; N109-I112 VanDerWaalsContact O-N 3.1Å; I112-I114 VanDerWaalsContact C-N 3.29Å; I112-I114 PolarHBondContact O-N 3.39Å; I112-Y115 PolarHBondContact O-N 3.03Å; I112-T116 VanDerWaalsContact O-CB 3.28Å; I112-T116 WeakPolarHBondContact O-CB 3.48Å; I112-T116 PolarHBondContact O-N 3.44Å; I112-T116 PolarHBondContact O-OG1 3.03Å; I112-A124 HydrophobicContact CG2-CB 4.34Å; I112-H127 HydrophobicContact CD1-CB 3.87Å; I112-H127 HydrophobicContact CG1-CB 3.6Å; I112-H128 WeakPolarHBondContact CG2-NE2 3.4Å; I112-I131 HydrophobicContact CD1-CD1 3.42Å; I112-I131 VanDerWaalsContact CD1-CD1 3.42Å; I112-I131 HydrophobicContact CD1-CG1 4.49Å
113D94Very high93Very high103 Ų10343.3 Ų43.355%0.55123%0.231SC*.Hα-helixtrans-58.4-45178.6-68.5-20000110.3N109 T116 D117N109-D113 PolarHBondContact O-N 3.31Å; D113-T116 PolarHBondContact O-N 3.47Å; D113-D117 WeakPolarHBondContact O-CB 3.44Å; D113-D117 PolarHBondContact O-N 2.67Å
114I94.2Very high93.1Very high16 Ų1639.7 Ų39.78%0.08221%0.214CC..Hα-helixtrans-65.2-43.8177.3-60.5164.8000111.5K82 A86 F89 A110 A111 I112 T116 D117 M118K82-I114 HydrophobicContact CB-CG2 3.89Å; K82-I114 WeakPolarHBondContact O-CG2 3.38Å; A86-I114 HydrophobicContact CB-CB 4.06Å; A86-I114 HydrophobicContact CB-CD1 4.41Å; A86-I114 HydrophobicContact CB-CG2 3.82Å; F89-I114 HydrophobicContact CD2-CD1 3.76Å; F89-I114 HydrophobicContact CE2-CD1 3.89Å; A110-I114 WeakPolarHBondContact O-CD1 3.09Å; A110-I114 VanDerWaalsContact O-CG1 3.29Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.38Å; A111-I114 PolarHBondContact O-N 3.13Å; I112-I114 VanDerWaalsContact C-N 3.29Å; I112-I114 PolarHBondContact O-N 3.39Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 2.94Å; I114-D117 WeakPolarHBondContact O-CB 3.46Å; I114-D117 PolarHBondContact O-N 3.29Å; I114-M118 HydrophobicContact CG2-CG 4.49Å; I114-M118 HydrophobicContact CG2-SD 3.95Å; I114-M118 WeakPolarHBondContact O-CB 3.12Å; I114-M118 WeakPolarHBondContact O-CG 3.08Å; I114-M118 PolarHBondContact O-N 3.46Å
115Y94Very high93.3Very high13 Ų1339.7 Ų39.75%0.05121%0.214CC..Hα-helixtrans-67.2-34.3178.7-76.5-54.6000112.7A86 V90 A111 I112 M118 G119 R120 I123 H127A86-Y115 HydrophobicContact CB-CD1 4.26Å; A86-Y115 HydrophobicContact CB-CD2 4.19Å; A86-Y115 HydrophobicContact CB-CE1 3.8Å; A86-Y115 HydrophobicContact CB-CE2 3.73Å; A86-Y115 HydrophobicContact CB-CG 4.43Å; V90-Y115 HydrophobicContact CG2-CE2 4.09Å; A111-Y115 HydrophobicContact CB-CD2 4.42Å; A111-Y115 HydrophobicContact CB-CE2 4.31Å; A111-Y115 WeakPolarHBondContact O-CD2 3.14Å; A111-Y115 PolarHBondContact O-N 3.39Å; I112-Y115 PolarHBondContact O-N 3.03Å; Y115-M118 PolarHBondContact O-N 3.26Å; Y115-G119 PolarHBondContact O-N 3.5Å; Y115-R120 HydrophobicContact CD1-CB 4.22Å; Y115-R120 PolarHBondContact O-N 3.16Å; Y115-I123 HydrophobicContact CD1-CB 4.46Å; Y115-I123 HydrophobicContact CD1-CG2 4.08Å; Y115-I123 HydrophobicContact CD2-CG2 3.82Å; Y115-I123 HydrophobicContact CE1-CG2 4.02Å; Y115-I123 HydrophobicContact CE2-CG2 3.75Å; Y115-I123 HydrophobicContact CG-CB 4.44Å; Y115-I123 HydrophobicContact CG-CG2 4Å; Y115-H127 AromaticContact CD2-CD2 3.77Å; Y115-H127 AromaticContact CE2-CD2 3.7Å; Y115-H127 AromaticContact CE2-NE2 3.55Å
116T93Very high93.4Very high37 Ų3745.1 Ų45.123%0.22724%0.238CC..Hα-helixtrans-66.3-47.2175-56.70000110.1I112 D113 I114 M118 G119 F121I112-T116 VanDerWaalsContact O-CB 3.28Å; I112-T116 WeakPolarHBondContact O-CB 3.48Å; I112-T116 PolarHBondContact O-N 3.44Å; I112-T116 PolarHBondContact O-OG1 3.03Å; D113-T116 PolarHBondContact O-N 3.47Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 2.94Å; T116-M118 PolarHBondContact O-N 3.05Å; T116-G119 PolarHBondContact O-N 2.95Å; T116-F121 HydrophobicContact CG2-CD1 4.43Å; T116-F121 HydrophobicContact CG2-CE1 3.89Å
117D92.4Very high93.5Very high121 Ų12142.3 Ų42.365%0.64722%0.222SC*.Hα-helixtrans-58.5-31.5173.4-875.9000113.2K82 D113 I114 G119K82-D117 IonicContact NZ-OD2 2.63Å; D113-D117 WeakPolarHBondContact O-CB 3.44Å; D113-D117 PolarHBondContact O-N 2.67Å; I114-D117 WeakPolarHBondContact O-CB 3.46Å; I114-D117 PolarHBondContact O-N 3.29Å; D117-G119 VanDerWaalsContact C-N 3.29Å
118M91.1Very high93.6Very high65 Ų6542.2 Ų42.232%0.3222%0.221SC..THydrogen-bonded Turntrans-82.8-3.2176.7-70.4176.26600113.5K82 H83 I114 Y115 T116 R120K82-M118 HydrophobicContact CB-CG 4.27Å; K82-M118 HydrophobicContact CB-SD 3.78Å; K82-M118 HydrophobicContact CD-CG 4.3Å; H83-M118 HydrophobicContact CB-CE 3.9Å; I114-M118 HydrophobicContact CG2-CG 4.49Å; I114-M118 HydrophobicContact CG2-SD 3.95Å; I114-M118 WeakPolarHBondContact O-CB 3.12Å; I114-M118 WeakPolarHBondContact O-CG 3.08Å; I114-M118 PolarHBondContact O-N 3.46Å; Y115-M118 PolarHBondContact O-N 3.26Å; T116-M118 PolarHBondContact O-N 3.05Å; M118-R120 VanDerWaalsContact C-N 3.3Å; M118-R120 HydrophobicContact CB-CG 4.1Å; M118-R120 PolarHBondContact O-N 2.94Å
119G91.6Very high93.6Very high38 Ų3843.7 Ų43.739%0.39223%0.228SC..THydrogen-bonded Turntrans71.320-175.800000114.1Y115 T116 D117 F121Y115-G119 PolarHBondContact O-N 3.5Å; T116-G119 PolarHBondContact O-N 2.95Å; D117-G119 VanDerWaalsContact C-N 3.29Å; G119-F121 PolarHBondContact O-N 2.95Å
120R92Very high93.5Very high113 Ų11343 Ų4343%0.42623%0.226SC..  trans-96.258.7-178.7-59.2-67-73.6-77.31.1110.9Y115 M118 T122 I123 A124Y115-R120 HydrophobicContact CD1-CB 4.22Å; Y115-R120 PolarHBondContact O-N 3.16Å; M118-R120 VanDerWaalsContact C-N 3.3Å; M118-R120 HydrophobicContact CB-CG 4.1Å; M118-R120 PolarHBondContact O-N 2.94Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.92Å; R120-I123 HydrophobicContact CB-CB 4.46Å; R120-I123 HydrophobicContact CB-CD1 4.35Å; R120-I123 PolarHBondContact O-N 3.49Å; R120-A124 PolarHBondContact O-N 3.23Å; R120-A124 VanDerWaalsContact O-N 3.12Å
121F92.7Very high93.6Very high69 Ų6941.6 Ų41.630%0.30322%0.215SC..Hα-helixtrans-59.5-37.1-174-58.3-68.5000113.7T116 G119 I123 A124 A125 Y155 E159T116-F121 HydrophobicContact CG2-CD1 4.43Å; T116-F121 HydrophobicContact CG2-CE1 3.89Å; G119-F121 PolarHBondContact O-N 2.95Å; F121-I123 VanDerWaalsContact C-N 3.25Å; F121-I123 PolarHBondContact O-N 3.09Å; F121-A124 PolarHBondContact O-N 3.49Å; F121-A125 WeakPolarHBondContact O-CB 3.07Å; F121-A125 PolarHBondContact O-N 3.21Å; F121-Y155 HydrophobicContact CB-CD1 4.12Å; F121-Y155 HydrophobicContact CB-CG 4.43Å; F121-Y155 AromaticContact CD1-CD1 3.71Å; F121-Y155 HydrophobicContact CD1-CD1 3.71Å; F121-Y155 AromaticContact CD1-CE1 3.63Å; F121-Y155 HydrophobicContact CD1-CE1 3.63Å; F121-Y155 HydrophobicContact CE1-CE1 4.16Å; F121-Y155 HydrophobicContact CG-CD1 4.24Å; F121-E159 HydrophobicContact CB-CG 4.11Å
122T92.7Very high93.6Very high49 Ų4941.6 Ų41.630%0.30122%0.215SC..Hα-helixtrans-59.4-34.8175.6-65.30000112.6R120 K126 Y156 E159R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.92Å; T122-K126 WeakPolarHBondContact O-CG 3.3Å; T122-K126 PolarHBondContact O-N 3.17Å; T122-Y156 HydrophobicContact CG2-CE1 4.27Å; T122-E159 PolarHBondContact OG1-OE2 3.35Å
123I93.4Very high93.5Very high40 Ų4045 Ų4521%0.20523%0.23CC..Hα-helixtrans-79-43.3178.2-61.5177.4000110Y115 R120 F121 A125 K126 H127Y115-I123 HydrophobicContact CD1-CB 4.46Å; Y115-I123 HydrophobicContact CD1-CG2 4.08Å; Y115-I123 HydrophobicContact CD2-CG2 3.82Å; Y115-I123 HydrophobicContact CE1-CG2 4.02Å; Y115-I123 HydrophobicContact CE2-CG2 3.75Å; Y115-I123 HydrophobicContact CG-CB 4.44Å; Y115-I123 HydrophobicContact CG-CG2 4Å; R120-I123 HydrophobicContact CB-CB 4.46Å; R120-I123 HydrophobicContact CB-CD1 4.35Å; R120-I123 PolarHBondContact O-N 3.49Å; F121-I123 VanDerWaalsContact C-N 3.25Å; F121-I123 PolarHBondContact O-N 3.09Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 3.4Å; I123-K126 WeakPolarHBondContact O-CB 3.27Å; I123-K126 PolarHBondContact O-N 3.12Å; I123-K126 VanDerWaalsContact O-N 3.12Å; I123-H127 PolarHBondContact O-CD2 3.29Å; I123-H127 VanDerWaalsContact O-CD2 3.24Å; I123-H127 PolarHBondContact O-N 3.36Å
124A93.1Very high93.4Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-55.2-43.817400000111.6I112 R120 F121 K126 H127 H128I112-A124 HydrophobicContact CG2-CB 4.34Å; R120-A124 PolarHBondContact O-N 3.23Å; R120-A124 VanDerWaalsContact O-N 3.12Å; F121-A124 PolarHBondContact O-N 3.49Å; A124-K126 VanDerWaalsContact C-N 3.33Å; A124-K126 PolarHBondContact O-N 2.87Å; A124-H127 PolarHBondContact O-N 3.13Å; A124-H127 VanDerWaalsContact O-N 3.11Å; A124-H128 PolarHBondContact O-CD2 3.39Å; A124-H128 PolarHBondContact O-N 2.94Å
125A94.7Very high93.3Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-59.8-39.217700000113F121 I123 H127 H128 I129 S152 Y155 Y156F121-A125 WeakPolarHBondContact O-CB 3.07Å; F121-A125 PolarHBondContact O-N 3.21Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 3.4Å; A125-H127 VanDerWaalsContact C-N 3.34Å; A125-H128 PolarHBondContact O-N 2.92Å; A125-I129 PolarHBondContact O-N 3.1Å; A125-S152 PolarHBondContact O-OG 3.47Å; A125-Y155 HydrophobicContact CB-CD2 4.39Å; A125-Y156 HydrophobicContact CB-CD1 4.37Å; A125-Y156 HydrophobicContact CB-CD2 3.82Å; A125-Y156 HydrophobicContact CB-CE1 4.1Å; A125-Y156 HydrophobicContact CB-CE2 3.48Å; A125-Y156 VanDerWaalsContact CB-CE2 3.48Å; A125-Y156 HydrophobicContact CB-CG 4.25Å
126K94.3Very high93Very high114 Ų11442.6 Ų42.650%0.49622%0.215SC..Hα-helixtrans-63.7-39.8174.6-69.6177.3-178.4-179.90112.1T122 I123 A124 I129 T130 Y156T122-K126 WeakPolarHBondContact O-CG 3.3Å; T122-K126 PolarHBondContact O-N 3.17Å; I123-K126 WeakPolarHBondContact O-CB 3.27Å; I123-K126 PolarHBondContact O-N 3.12Å; I123-K126 VanDerWaalsContact O-N 3.12Å; A124-K126 VanDerWaalsContact C-N 3.33Å; A124-K126 PolarHBondContact O-N 2.87Å; K126-I129 PolarHBondContact O-N 3.11Å; K126-T130 PolarHBondContact O-N 3.35Å; K126-T130 VanDerWaalsContact O-N 3.11Å; K126-T130 PolarHBondContact O-OG1 2.99Å; K126-Y156 WeakPolarHBondContact CG-OH 3.17Å
127H94.9Very high92.8Very high25 Ų2544.7 Ų44.712%0.11623%0.228CC..Hα-helixtrans-71.1-35.9177.1-66-50.6000111.7V90 I112 Y115 I123 A124 A125 I129 T130 I131V90-H127 WeakPolarHBondContact CG2-CE1 3.3Å; V90-H127 WeakPolarHBondContact CG2-NE2 3.49Å; I112-H127 HydrophobicContact CD1-CB 3.87Å; I112-H127 HydrophobicContact CG1-CB 3.6Å; Y115-H127 AromaticContact CD2-CD2 3.77Å; Y115-H127 AromaticContact CE2-CD2 3.7Å; Y115-H127 AromaticContact CE2-NE2 3.55Å; I123-H127 PolarHBondContact O-CD2 3.29Å; I123-H127 VanDerWaalsContact O-CD2 3.24Å; I123-H127 PolarHBondContact O-N 3.36Å; A124-H127 PolarHBondContact O-N 3.13Å; A124-H127 VanDerWaalsContact O-N 3.11Å; A125-H127 VanDerWaalsContact C-N 3.34Å; H127-I129 PolarHBondContact O-N 3.3Å; H127-T130 WeakPolarHBondContact O-CB 3.3Å; H127-T130 PolarHBondContact O-N 3.03Å; H127-T130 VanDerWaalsContact O-N 3.08Å; H127-I131 WeakPolarHBondContact O-CG1 3.5Å; H127-I131 PolarHBondContact O-N 3.31Å
128H95.4Very high92.5Very high3 Ų343.9 Ų43.91%0.01422%0.221CC..Hα-helixtrans-59.1-43.2170.1-85.7-63.3000113.2I112 A124 A125 T130 I131 A132 H148 Q151 Y155I112-H128 WeakPolarHBondContact CG2-NE2 3.4Å; A124-H128 PolarHBondContact O-CD2 3.39Å; A124-H128 PolarHBondContact O-N 2.94Å; A125-H128 PolarHBondContact O-N 2.92Å; H128-T130 VanDerWaalsContact C-N 3.27Å; H128-T130 PolarHBondContact O-N 3.18Å; H128-I131 PolarHBondContact O-N 3.5Å; H128-A132 WeakPolarHBondContact O-CB 3.19Å; H128-A132 PolarHBondContact O-N 3.17Å; H128-H148 AromaticContact CE1-ND1 3.67Å; H128-H148 AromaticContact ND1-ND1 3.17Å; H128-H148 PolarHBondContact ND1-ND1 2.91Å; H128-H148 VanDerWaalsContact ND1-ND1 3.17Å; H128-Q151 VanDerWaalsContact CE1-CD 3.4Å; H128-Q151 PolarHBondContact CE1-OE1 3.32Å; H128-Q151 PolarHBondContact NE2-OE1 3.49Å; H128-Y155 AromaticContact CD2-CD2 3.92Å; H128-Y155 AromaticContact CD2-CE2 3.57Å; H128-Y155 AromaticContact NE2-CE2 3.57Å
129I95Very high92.1Very high32 Ų3243.3 Ų43.316%0.16422%0.219CC..Hα-helixtrans-57.7-44.5172.3-71.8161000110.4A125 K126 H127 I131 A132 E133 Y149 S152 Y156A125-I129 PolarHBondContact O-N 3.1Å; K126-I129 PolarHBondContact O-N 3.11Å; H127-I129 PolarHBondContact O-N 3.3Å; I129-I131 VanDerWaalsContact C-N 3.34Å; I129-I131 PolarHBondContact O-N 3.47Å; I129-A132 PolarHBondContact O-N 3.49Å; I129-E133 HydrophobicContact CG2-CG 4.32Å; I129-E133 WeakPolarHBondContact O-CG 3.39Å; I129-E133 PolarHBondContact O-N 3.33Å; I129-Y149 HydrophobicContact CB-CE1 4.38Å; I129-Y149 HydrophobicContact CG1-CD1 4.37Å; I129-Y149 HydrophobicContact CG1-CE1 4.27Å; I129-Y149 HydrophobicContact CG2-CE1 4.09Å; I129-S152 WeakPolarHBondContact CG1-OG 3.45Å; I129-Y156 HydrophobicContact CD1-CE2 3.69Å
130T93.8Very high91.8Very high32 Ų3246.4 Ų46.420%0.19623%0.23CC..Hα-helixtrans-63.9-40.4-178.5-52.60000111.6L108 K126 H127 H128 E133 I134L108-T130 HydrophobicContact CD1-CG2 4.05Å; K126-T130 PolarHBondContact O-N 3.35Å; K126-T130 VanDerWaalsContact O-N 3.11Å; K126-T130 PolarHBondContact O-OG1 2.99Å; H127-T130 WeakPolarHBondContact O-CB 3.3Å; H127-T130 PolarHBondContact O-N 3.03Å; H127-T130 VanDerWaalsContact O-N 3.08Å; H128-T130 VanDerWaalsContact C-N 3.27Å; H128-T130 PolarHBondContact O-N 3.18Å; T130-E133 PolarHBondContact O-N 2.88Å; T130-I134 HydrophobicContact CG2-CD1 4.49Å; T130-I134 VanDerWaalsContact O-CG1 3.32Å; T130-I134 WeakPolarHBondContact O-CG1 3.42Å; T130-I134 PolarHBondContact O-N 3.11Å; T130-I134 VanDerWaalsContact O-N 3.12Å
131I94.1Very high91.7Very high0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-63.3-45.9174.2-70177.1000110.4I105 L108 N109 I112 H127 H128 I129 E133 I134 Y135 H148I105-I131 HydrophobicContact CG1-CG2 4.26Å; I105-I131 HydrophobicContact CG2-CG2 3.96Å; L108-I131 HydrophobicContact CB-CD1 3.63Å; L108-I131 HydrophobicContact CB-CG1 3.61Å; L108-I131 HydrophobicContact CD1-CG1 3.79Å; L108-I131 HydrophobicContact CG-CG1 4.36Å; N109-I131 WeakPolarHBondContact OD1-CD1 3.25Å; I112-I131 HydrophobicContact CD1-CD1 3.42Å; I112-I131 VanDerWaalsContact CD1-CD1 3.42Å; I112-I131 HydrophobicContact CD1-CG1 4.49Å; H127-I131 WeakPolarHBondContact O-CG1 3.5Å; H127-I131 PolarHBondContact O-N 3.31Å; H128-I131 PolarHBondContact O-N 3.5Å; I129-I131 VanDerWaalsContact C-N 3.34Å; I129-I131 PolarHBondContact O-N 3.47Å; I131-E133 VanDerWaalsContact C-N 3.31Å; I131-E133 PolarHBondContact O-N 2.89Å; I131-I134 WeakPolarHBondContact O-CB 3.42Å; I131-I134 PolarHBondContact O-N 3.05Å; I131-I134 VanDerWaalsContact O-N 3.09Å; I131-Y135 HydrophobicContact CG2-CD2 3.7Å; I131-Y135 HydrophobicContact CG2-CE2 3.56Å; I131-Y135 WeakPolarHBondContact O-CD2 3.03Å; I131-Y135 PolarHBondContact O-N 3.19Å; I131-H148 VanDerWaalsContact CG2-CD2 3.48Å; I131-H148 WeakPolarHBondContact CG2-CD2 3.46Å
132A94.4Very high91.6Very high0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-61.9-39178.500000112.1H128 I129 I134 Y135 E136 A145 H148 Y149H128-A132 WeakPolarHBondContact O-CB 3.19Å; H128-A132 PolarHBondContact O-N 3.17Å; I129-A132 PolarHBondContact O-N 3.49Å; A132-I134 VanDerWaalsContact C-N 3.34Å; A132-I134 PolarHBondContact O-N 2.99Å; A132-Y135 PolarHBondContact O-N 2.92Å; A132-E136 WeakPolarHBondContact O-CB 3.49Å; A132-E136 PolarHBondContact O-N 2.77Å; A132-A145 HydrophobicContact CB-CB 4.49Å; A132-H148 HydrophobicContact CB-CB 3.95Å; A132-Y149 HydrophobicContact CB-CD1 3.86Å; A132-Y149 HydrophobicContact CB-CD2 3.52Å; A132-Y149 HydrophobicContact CB-CE1 3.76Å; A132-Y149 HydrophobicContact CB-CE2 3.42Å; A132-Y149 VanDerWaalsContact CB-CE2 3.42Å; A132-Y149 HydrophobicContact CB-CG 3.72Å
133E92.2Very high91.5Very high74 Ų7445.6 Ų45.635%0.34623%0.231SC..Hα-helixtrans-63.2-36.3172.9-73.3175.1179.100112.4I129 T130 I131 E136 T137 Y149I129-E133 HydrophobicContact CG2-CG 4.32Å; I129-E133 WeakPolarHBondContact O-CG 3.39Å; I129-E133 PolarHBondContact O-N 3.33Å; T130-E133 PolarHBondContact O-N 2.88Å; I131-E133 VanDerWaalsContact C-N 3.31Å; I131-E133 PolarHBondContact O-N 2.89Å; E133-E136 PolarHBondContact O-N 3.03Å; E133-T137 WeakPolarHBondContact O-CG2 3.48Å; E133-T137 PolarHBondContact O-N 2.9Å; E133-T137 PolarHBondContact O-OG1 2.56Å; E133-Y149 WeakPolarHBondContact CG-OH 3.49Å
134I91.8Very high91.4Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-67.6-40.8175.3-66.3164.6000110.5K97 P101 A104 I105 L108 T130 I131 A132 E136 E138 L139K97-I134 HydrophobicContact CD-CD1 4.35Å; K97-I134 HydrophobicContact CD-CG1 4.27Å; K97-I134 HydrophobicContact CG-CD1 4.26Å; K97-I134 HydrophobicContact CG-CG1 4.23Å; P101-I134 HydrophobicContact CB-CG2 3.83Å; A104-I134 HydrophobicContact CB-CD1 4.31Å; I105-I134 HydrophobicContact CD1-CG2 3.87Å; I105-I134 HydrophobicContact CG1-CB 4.44Å; I105-I134 HydrophobicContact CG1-CG2 4.04Å; L108-I134 HydrophobicContact CD1-CD1 3.86Å; T130-I134 HydrophobicContact CG2-CD1 4.49Å; T130-I134 VanDerWaalsContact O-CG1 3.32Å; T130-I134 WeakPolarHBondContact O-CG1 3.42Å; T130-I134 PolarHBondContact O-N 3.11Å; T130-I134 VanDerWaalsContact O-N 3.12Å; I131-I134 WeakPolarHBondContact O-CB 3.42Å; I131-I134 PolarHBondContact O-N 3.05Å; I131-I134 VanDerWaalsContact O-N 3.09Å; A132-I134 VanDerWaalsContact C-N 3.34Å; A132-I134 PolarHBondContact O-N 2.99Å; I134-E136 VanDerWaalsContact C-N 3.29Å; I134-E136 PolarHBondContact O-N 3.33Å; I134-E138 HydrophobicContact CG2-CB 4.36Å; I134-E138 HydrophobicContact CG2-CG 4.29Å; I134-E138 WeakPolarHBondContact O-CB 3.48Å; I134-E138 PolarHBondContact O-N 3.43Å; I134-L139 PolarHBondContact O-N 3.42Å
135Y92.3Very high91.4Very high18 Ų1848.6 Ų48.67%0.07124%0.242CC..Iπ-helixtrans-64.8-34.1173.7-80-59.9000112.5I105 I131 A132 L139 V140 D141 K144 H148I105-Y135 HydrophobicContact CD1-CD1 4.13Å; I105-Y135 HydrophobicContact CD1-CD2 4.25Å; I105-Y135 HydrophobicContact CD1-CE1 3.71Å; I105-Y135 HydrophobicContact CD1-CE2 3.86Å; I105-Y135 HydrophobicContact CD1-CG 4.38Å; I105-Y135 HydrophobicContact CG1-CE2 4.42Å; I105-Y135 HydrophobicContact CG2-CE2 4.12Å; I131-Y135 HydrophobicContact CG2-CD2 3.7Å; I131-Y135 HydrophobicContact CG2-CE2 3.56Å; I131-Y135 WeakPolarHBondContact O-CD2 3.03Å; I131-Y135 PolarHBondContact O-N 3.19Å; A132-Y135 PolarHBondContact O-N 2.92Å; Y135-L139 HydrophobicContact CD1-CB 4.07Å; Y135-L139 HydrophobicContact CD1-CD1 3.56Å; Y135-L139 HydrophobicContact CD1-CG 4.46Å; Y135-L139 HydrophobicContact CE1-CD1 3.57Å; Y135-V140 VanDerWaalsContact O-CA 3.29Å; Y135-V140 WeakPolarHBondContact O-CA 3.49Å; Y135-V140 PolarHBondContact O-N 3.31Å; Y135-D141 HydrophobicContact CD1-CB 3.86Å; Y135-D141 HydrophobicContact CE1-CB 4.45Å; Y135-D141 PolarHBondContact O-N 2.88Å; Y135-K144 HydrophobicContact CD1-CB 4.22Å; Y135-K144 HydrophobicContact CD2-CB 4.13Å; Y135-K144 HydrophobicContact CE1-CB 4.18Å; Y135-K144 HydrophobicContact CE1-CD 3.85Å; Y135-K144 HydrophobicContact CE2-CB 4.08Å; Y135-K144 HydrophobicContact CG-CB 4.2Å; Y135-H148 AromaticContact CD2-CD2 3.82Å; Y135-H148 AromaticContact CE2-CD2 3.57Å; Y135-H148 AromaticContact CE2-NE2 3.64Å
136E88.8Confident91.4Very high64 Ų6449 Ų4930%0.29924%0.244SC..Iπ-helixtrans-67.3-50.4174.7-178.1-174.4178.100112.1A132 E133 I134 K171 Y175A132-E136 WeakPolarHBondContact O-CB 3.49Å; A132-E136 PolarHBondContact O-N 2.77Å; E133-E136 PolarHBondContact O-N 3.03Å; I134-E136 VanDerWaalsContact C-N 3.29Å; I134-E136 PolarHBondContact O-N 3.33Å; E136-K171 IonicContact OE1-NZ 2.65Å; E136-K171 PolarHBondContact OE1-NZ 3.43Å; E136-K171 IonicContact OE2-NZ 3.91Å; E136-K171 PolarHBondContact OE2-NZ 3.23Å; E136-Y175 HydrophobicContact CG-CE1 4.45Å; E136-Y175 PolarHBondContact OE1-OH 3.29Å; E136-Y175 PolarHBondContact OE2-OH 3.39Å
137T88.3Confident91.4Very high82 Ų8246 Ų4650%0.50324%0.241SC..Iπ-helixtrans-91.5-41.6-168.466.20000114.4E133E133-T137 WeakPolarHBondContact O-CG2 3.48Å; E133-T137 PolarHBondContact O-N 2.9Å; E133-T137 PolarHBondContact O-OG1 2.56Å
138E86.5Confident91.4Very high103 Ų10346.1 Ų46.148%0.48124%0.241SC..Iπ-helixtrans-98.8-40.5-169.3-54.2-55.6135.900112.7P101 I134P101-E138 HydrophobicContact CB-CB 3.88Å; P101-E138 HydrophobicContact CB-CG 4.32Å; P101-E138 HydrophobicContact CG-CB 3.73Å; P101-E138 HydrophobicContact CG-CG 4.06Å; I134-E138 HydrophobicContact CG2-CB 4.36Å; I134-E138 HydrophobicContact CG2-CG 4.29Å; I134-E138 WeakPolarHBondContact O-CB 3.48Å; I134-E138 PolarHBondContact O-N 3.43Å
139L81.4Confident91.4Very high53 Ų5346.2 Ų46.228%0.27724%0.242SC..Iπ-helixtrans-102.8-17.3-172.3-62174000113.7P101 Q102 I105 I134 Y135 D141P101-L139 HydrophobicContact CB-CD1 4.46Å; P101-L139 HydrophobicContact CB-CD2 4.13Å; P101-L139 HydrophobicContact CB-CG 4.17Å; Q102-L139 HydrophobicContact CG-CD2 4.35Å; I105-L139 HydrophobicContact CD1-CD1 3.38Å; I134-L139 PolarHBondContact O-N 3.42Å; Y135-L139 HydrophobicContact CD1-CB 4.07Å; Y135-L139 HydrophobicContact CD1-CD1 3.56Å; Y135-L139 HydrophobicContact CD1-CG 4.46Å; Y135-L139 HydrophobicContact CE1-CD1 3.57Å; L139-D141 PolarHBondContact O-N 3.43Å
140V85.9Confident91.4Very high104 Ų10447.3 Ų47.363%0.6325%0.246SC*.  trans52.135.8-179-158.80000112.2Y135Y135-V140 VanDerWaalsContact O-CA 3.29Å; Y135-V140 WeakPolarHBondContact O-CA 3.49Å; Y135-V140 PolarHBondContact O-N 3.31Å
141D90.2Very high91.4Very high40 Ų4049.4 Ų49.421%0.21425%0.254CS..  trans-10084.8176.3-171.5-24.4000108.7Y135 L139 E143 K144 A145Y135-D141 HydrophobicContact CD1-CB 3.86Å; Y135-D141 HydrophobicContact CE1-CB 4.45Å; Y135-D141 PolarHBondContact O-N 2.88Å; L139-D141 PolarHBondContact O-N 3.43Å; D141-E143 VanDerWaalsContact C-N 3.31Å; D141-E143 PolarHBondContact O-N 3.29Å; D141-K144 PolarHBondContact O-N 3.14Å; D141-K144 PolarHBondContact OD1-N 3.47Å; D141-K144 VanDerWaalsContact OD2-CD 3.27Å; D141-K144 WeakPolarHBondContact OD2-CD 3.49Å; D141-K144 VanDerWaalsContact OD2-CE 3.3Å; D141-K144 WeakPolarHBondContact OD2-CE 3.45Å; D141-K144 IonicContact OD2-NZ 3.5Å; D141-K144 PolarHBondContact OD2-NZ 3.15Å; D141-A145 PolarHBondContact O-N 3.3Å; D141-A145 VanDerWaalsContact O-N 3.11Å
142I90.1Very high91.5Very high43 Ų4349.4 Ų49.422%0.22125%0.254CS..Hα-helixtrans-66.7-34.5-172.7-57.7179.3000111.2A145 I146 Y175 L179I142-A145 WeakPolarHBondContact O-CB 3.09Å; I142-A145 PolarHBondContact O-N 3.37Å; I142-I146 HydrophobicContact CG2-CD1 4.15Å; I142-I146 HydrophobicContact CG2-CG1 4.46Å; I142-I146 VanDerWaalsContact O-CG1 3.3Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 2.91Å; I142-Y175 HydrophobicContact CG2-CD1 3.93Å; I142-Y175 HydrophobicContact CG2-CG 3.87Å; I142-L179 HydrophobicContact CB-CD1 4.4Å; I142-L179 HydrophobicContact CB-CD2 4.35Å; I142-L179 HydrophobicContact CG2-CD1 3.97Å; I142-L179 HydrophobicContact CG2-CD2 4.32Å; I142-L179 HydrophobicContact CG2-CG 4.02Å
143E91.1Very high91.5Very high131 Ų13149.5 Ų49.561%0.61225%0.254SS*.Hα-helixtrans-63.7-45.1-180-69.2-172.613500111.7D141 I146 A147 L179D141-E143 VanDerWaalsContact C-N 3.31Å; D141-E143 PolarHBondContact O-N 3.29Å; E143-I146 PolarHBondContact O-N 3.02Å; E143-A147 PolarHBondContact O-N 3.45Å; E143-L179 HydrophobicContact CG-CD1 3.65Å
144K91.8Very high91.5Very high102 Ų10251 Ų5144%0.44327%0.265SS..Hα-helixtrans-70.3-34.7175.5-69.1-173.3-166.7127.70112.6Y135 D141 I146 A147 H148Y135-K144 HydrophobicContact CD1-CB 4.22Å; Y135-K144 HydrophobicContact CD2-CB 4.13Å; Y135-K144 HydrophobicContact CE1-CB 4.18Å; Y135-K144 HydrophobicContact CE1-CD 3.85Å; Y135-K144 HydrophobicContact CE2-CB 4.08Å; Y135-K144 HydrophobicContact CG-CB 4.2Å; D141-K144 PolarHBondContact O-N 3.14Å; D141-K144 PolarHBondContact OD1-N 3.47Å; D141-K144 VanDerWaalsContact OD2-CD 3.27Å; D141-K144 WeakPolarHBondContact OD2-CD 3.49Å; D141-K144 VanDerWaalsContact OD2-CE 3.3Å; D141-K144 WeakPolarHBondContact OD2-CE 3.45Å; D141-K144 IonicContact OD2-NZ 3.5Å; D141-K144 PolarHBondContact OD2-NZ 3.15Å; K144-I146 VanDerWaalsContact C-N 3.32Å; K144-I146 PolarHBondContact O-N 3.35Å; K144-A147 PolarHBondContact O-N 2.84Å; K144-H148 PolarHBondContact O-CD2 3.47Å; K144-H148 VanDerWaalsContact O-CD2 3.3Å; K144-H148 PolarHBondContact O-N 3.32Å; K144-H148 VanDerWaalsContact O-N 3.12Å
145A93.1Very high91.7Very high1 Ų153.2 Ų53.21%0.00827%0.274CS..Hα-helixtrans-59.3-44.7174.200000111.3A132 D141 I142 H148 Y149A132-A145 HydrophobicContact CB-CB 4.49Å; D141-A145 PolarHBondContact O-N 3.3Å; D141-A145 VanDerWaalsContact O-N 3.11Å; I142-A145 WeakPolarHBondContact O-CB 3.09Å; I142-A145 PolarHBondContact O-N 3.37Å; A145-H148 PolarHBondContact O-N 3.47Å; A145-Y149 VanDerWaalsContact O-CD2 3.23Å; A145-Y149 WeakPolarHBondContact O-CD2 3.4Å; A145-Y149 PolarHBondContact O-N 3.43Å
146I93.9Very high91.8Very high7 Ų752.9 Ų52.94%0.03627%0.272CS..Hα-helixtrans-56.5-52.1175.2-73.7170000110.5I142 E143 K144 H148 Y149 E150 V172 A176 L179I142-I146 HydrophobicContact CG2-CD1 4.15Å; I142-I146 HydrophobicContact CG2-CG1 4.46Å; I142-I146 VanDerWaalsContact O-CG1 3.3Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 2.91Å; E143-I146 PolarHBondContact O-N 3.02Å; K144-I146 VanDerWaalsContact C-N 3.32Å; K144-I146 PolarHBondContact O-N 3.35Å; I146-H148 VanDerWaalsContact C-N 3.3Å; I146-H148 PolarHBondContact O-N 3.44Å; I146-Y149 PolarHBondContact O-N 2.99Å; I146-Y149 VanDerWaalsContact O-N 3.13Å; I146-E150 HydrophobicContact CG2-CG 4.45Å; I146-E150 WeakPolarHBondContact O-CG 3.44Å; I146-E150 PolarHBondContact O-N 3.07Å; I146-V172 HydrophobicContact CG2-CG1 4.06Å; I146-A176 HydrophobicContact CD1-CB 4.48Å; I146-L179 HydrophobicContact CD1-CD1 3.52Å; I146-L179 HydrophobicContact CD1-CG 4.4Å
147A94.1Very high91.9Very high52 Ų5255 Ų5543%0.4328%0.28SS..Hα-helixtrans-57.6-41.7-178.300000112.6E143 K144 E150 Q151E143-A147 PolarHBondContact O-N 3.45Å; K144-A147 PolarHBondContact O-N 2.84Å; A147-E150 PolarHBondContact O-N 3.21Å; A147-Q151 PolarHBondContact O-N 3.28Å
148H95.4Very high92Very high27 Ų2754 Ų5413%0.12529%0.287CS..Hα-helixtrans-72.1-35.7177.2-76.7-59.2000113.4H128 I131 A132 Y135 K144 A145 I146 S152H128-H148 AromaticContact CE1-ND1 3.67Å; H128-H148 AromaticContact ND1-ND1 3.17Å; H128-H148 PolarHBondContact ND1-ND1 2.91Å; H128-H148 VanDerWaalsContact ND1-ND1 3.17Å; I131-H148 VanDerWaalsContact CG2-CD2 3.48Å; I131-H148 WeakPolarHBondContact CG2-CD2 3.46Å; A132-H148 HydrophobicContact CB-CB 3.95Å; Y135-H148 AromaticContact CD2-CD2 3.82Å; Y135-H148 AromaticContact CE2-CD2 3.57Å; Y135-H148 AromaticContact CE2-NE2 3.64Å; K144-H148 PolarHBondContact O-CD2 3.47Å; K144-H148 VanDerWaalsContact O-CD2 3.3Å; K144-H148 PolarHBondContact O-N 3.32Å; K144-H148 VanDerWaalsContact O-N 3.12Å; A145-H148 PolarHBondContact O-N 3.47Å; I146-H148 VanDerWaalsContact C-N 3.3Å; I146-H148 PolarHBondContact O-N 3.44Å; H148-S152 WeakPolarHBondContact O-CB 3.47Å; H148-S152 PolarHBondContact O-N 3.36Å
149Y96.3Very high92.2Very high5 Ų553.4 Ų53.42%0.0228%0.284CS..Hα-helixtrans-66.9-37.2173.2-81.9-56.1000112.3I129 A132 E133 A145 I146 S152 A153 K171 V172 Y175I129-Y149 HydrophobicContact CB-CE1 4.38Å; I129-Y149 HydrophobicContact CG1-CD1 4.37Å; I129-Y149 HydrophobicContact CG1-CE1 4.27Å; I129-Y149 HydrophobicContact CG2-CE1 4.09Å; A132-Y149 HydrophobicContact CB-CD1 3.86Å; A132-Y149 HydrophobicContact CB-CD2 3.52Å; A132-Y149 HydrophobicContact CB-CE1 3.76Å; A132-Y149 HydrophobicContact CB-CE2 3.42Å; A132-Y149 VanDerWaalsContact CB-CE2 3.42Å; A132-Y149 HydrophobicContact CB-CG 3.72Å; E133-Y149 WeakPolarHBondContact CG-OH 3.49Å; A145-Y149 VanDerWaalsContact O-CD2 3.23Å; A145-Y149 WeakPolarHBondContact O-CD2 3.4Å; A145-Y149 PolarHBondContact O-N 3.43Å; I146-Y149 PolarHBondContact O-N 2.99Å; I146-Y149 VanDerWaalsContact O-N 3.13Å; Y149-S152 PolarHBondContact O-N 2.87Å; Y149-A153 WeakPolarHBondContact O-CB 3.43Å; Y149-A153 PolarHBondContact O-N 3.29Å; Y149-K171 HydrophobicContact CD1-CB 4.38Å; Y149-K171 HydrophobicContact CD2-CB 4.12Å; Y149-K171 HydrophobicContact CE1-CB 4.39Å; Y149-K171 HydrophobicContact CE2-CB 4.12Å; Y149-K171 HydrophobicContact CG-CB 4.28Å; Y149-V172 VanDerWaalsContact CB-CG2 3.44Å; Y149-Y175 HydrophobicContact CD2-CD2 4.49Å; Y149-Y175 HydrophobicContact CD2-CE2 4.4Å; Y149-Y175 HydrophobicContact CE2-CD2 4.45Å; Y149-Y175 AromaticContact CE2-CE2 3.93Å; Y149-Y175 HydrophobicContact CE2-CE2 3.93Å
150E94.5Very high92.6Very high55 Ų5559.1 Ų59.126%0.25731%0.309SS..Hα-helixtrans-62.9-50.2174.2-73.6-173.5124.100111.3I146 A147 S152 A153 D154 V172 K184I146-E150 HydrophobicContact CG2-CG 4.45Å; I146-E150 WeakPolarHBondContact O-CG 3.44Å; I146-E150 PolarHBondContact O-N 3.07Å; A147-E150 PolarHBondContact O-N 3.21Å; E150-S152 VanDerWaalsContact C-N 3.26Å; E150-S152 PolarHBondContact O-N 2.88Å; E150-A153 WeakPolarHBondContact O-CA 3.36Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 3.31Å; E150-D154 PolarHBondContact O-N 3.03Å; E150-V172 HydrophobicContact CB-CG2 4.47Å; E150-V172 HydrophobicContact CG-CB 4.23Å; E150-V172 HydrophobicContact CG-CG1 3.49Å; E150-V172 VanDerWaalsContact CG-CG1 3.49Å; E150-V172 HydrophobicContact CG-CG2 3.6Å; E150-K184 WeakPolarHBondContact OE1-CE 3.38Å; E150-K184 IonicContact OE1-NZ 3.34Å; E150-K184 PolarHBondContact OE1-NZ 3.4Å; E150-K184 IonicContact OE2-NZ 3.82Å; E150-K184 PolarHBondContact OE2-NZ 3.24Å
151Q94.2Very high92.7Very high77 Ų7756 Ų5636%0.3629%0.293SS..Hα-helixtrans-60.2-38.3177.5-169.417414.600112.1H128 A147 D154 Y155H128-Q151 VanDerWaalsContact CE1-CD 3.4Å; H128-Q151 PolarHBondContact CE1-OE1 3.32Å; H128-Q151 PolarHBondContact NE2-OE1 3.49Å; A147-Q151 PolarHBondContact O-N 3.28Å; Q151-D154 PolarHBondContact O-N 3.18Å; Q151-Y155 HydrophobicContact CG-CD2 4.32Å; Q151-Y155 HydrophobicContact CG-CE2 3.78Å; Q151-Y155 PolarHBondContact NE2-OH 3.4Å; Q151-Y155 VanDerWaalsContact O-CD2 3.24Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.36Å; Q151-Y155 PolarHBondContact O-N 3.38Å; Q151-Y155 VanDerWaalsContact O-N 3.15Å
152S94.7Very high92.5Very high0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-63.7-42.7173.1-1710000112.4A125 I129 H148 Y149 E150 D154 Y155 Y156A125-S152 PolarHBondContact O-OG 3.47Å; I129-S152 WeakPolarHBondContact CG1-OG 3.45Å; H148-S152 WeakPolarHBondContact O-CB 3.47Å; H148-S152 PolarHBondContact O-N 3.36Å; Y149-S152 PolarHBondContact O-N 2.87Å; E150-S152 VanDerWaalsContact C-N 3.26Å; E150-S152 PolarHBondContact O-N 2.88Å; S152-D154 VanDerWaalsContact C-N 3.32Å; S152-D154 PolarHBondContact O-N 3.02Å; S152-Y155 PolarHBondContact O-N 3.46Å; S152-Y156 WeakPolarHBondContact O-CD2 3.29Å; S152-Y156 PolarHBondContact O-N 2.92Å; S152-Y156 WeakPolarHBondContact OG-CE2 3.49Å
153A94.4Very high92.3Very high1 Ų160 Ų601%0.00832%0.321CS..Hα-helixtrans-61.2-42.1177.600000111.7Y149 E150 Y156 K157 C168 L169Y149-A153 WeakPolarHBondContact O-CB 3.43Å; Y149-A153 PolarHBondContact O-N 3.29Å; E150-A153 WeakPolarHBondContact O-CA 3.36Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 3.31Å; A153-Y156 PolarHBondContact O-N 3.3Å; A153-K157 VanDerWaalsContact O-CB 3.32Å; A153-K157 WeakPolarHBondContact O-CB 3.46Å; A153-K157 PolarHBondContact O-N 2.73Å; A153-C168 HydrophobicContact CB-CB 3.85Å; A153-L169 HydrophobicContact CB-CD2 3.71Å; A153-L169 HydrophobicContact CB-CG 3.8Å
154D93.8Very high92.3Very high106 Ų10655.9 Ų55.957%0.56731%0.307SS*.Hα-helixtrans-63.4-43177.9-72.4-22.3000111.9E150 Q151 S152 K157 G158E150-D154 PolarHBondContact O-N 3.03Å; Q151-D154 PolarHBondContact O-N 3.18Å; S152-D154 VanDerWaalsContact C-N 3.32Å; S152-D154 PolarHBondContact O-N 3.02Å; D154-K157 PolarHBondContact O-N 2.99Å; D154-G158 PolarHBondContact O-N 3.28Å
155Y94.1Very high92.3Very high47 Ų4751.1 Ų51.118%0.18429%0.286CS..Hα-helixtrans-61.3-44.9173.5-72.3-43.6000112.4F121 A125 H128 Q151 S152 K157 G158 E159F121-Y155 HydrophobicContact CB-CD1 4.12Å; F121-Y155 HydrophobicContact CB-CG 4.43Å; F121-Y155 AromaticContact CD1-CD1 3.71Å; F121-Y155 HydrophobicContact CD1-CD1 3.71Å; F121-Y155 AromaticContact CD1-CE1 3.63Å; F121-Y155 HydrophobicContact CD1-CE1 3.63Å; F121-Y155 HydrophobicContact CE1-CE1 4.16Å; F121-Y155 HydrophobicContact CG-CD1 4.24Å; A125-Y155 HydrophobicContact CB-CD2 4.39Å; H128-Y155 AromaticContact CD2-CD2 3.92Å; H128-Y155 AromaticContact CD2-CE2 3.57Å; H128-Y155 AromaticContact NE2-CE2 3.57Å; Q151-Y155 HydrophobicContact CG-CD2 4.32Å; Q151-Y155 HydrophobicContact CG-CE2 3.78Å; Q151-Y155 PolarHBondContact NE2-OH 3.4Å; Q151-Y155 VanDerWaalsContact O-CD2 3.24Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.36Å; Q151-Y155 PolarHBondContact O-N 3.38Å; Q151-Y155 VanDerWaalsContact O-N 3.15Å; S152-Y155 PolarHBondContact O-N 3.46Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 3.43Å; Y155-G158 PolarHBondContact O-N 2.88Å; Y155-E159 VanDerWaalsContact O-CG 3.29Å; Y155-E159 WeakPolarHBondContact O-CG 3.4Å; Y155-E159 PolarHBondContact O-N 3.05Å; Y155-E159 VanDerWaalsContact O-N 3.14Å
156Y94.6Very high92.2Very high10 Ų1051.6 Ų51.64%0.03929%0.288CS..Hα-helixtrans-66.5-35177.1-78.6-59000112.9T122 A125 K126 I129 S152 A153 E159 E160 S161T122-Y156 HydrophobicContact CG2-CE1 4.27Å; A125-Y156 HydrophobicContact CB-CD1 4.37Å; A125-Y156 HydrophobicContact CB-CD2 3.82Å; A125-Y156 HydrophobicContact CB-CE1 4.1Å; A125-Y156 HydrophobicContact CB-CE2 3.48Å; A125-Y156 VanDerWaalsContact CB-CE2 3.48Å; A125-Y156 HydrophobicContact CB-CG 4.25Å; K126-Y156 WeakPolarHBondContact CG-OH 3.17Å; I129-Y156 HydrophobicContact CD1-CE2 3.69Å; S152-Y156 WeakPolarHBondContact O-CD2 3.29Å; S152-Y156 PolarHBondContact O-N 2.92Å; S152-Y156 WeakPolarHBondContact OG-CE2 3.49Å; A153-Y156 PolarHBondContact O-N 3.3Å; Y156-E159 PolarHBondContact O-N 2.96Å; Y156-E160 PolarHBondContact O-N 3.05Å; Y156-S161 WeakPolarHBondContact O-CA 3.27Å; Y156-S161 WeakPolarHBondContact O-CB 3.41Å; Y156-S161 PolarHBondContact O-N 3.38Å
157K91.3Very high92.1Very high108 Ų10858.5 Ų58.547%0.4732%0.318SS..Hα-helixtrans-66.8-40.5176.3-171.1176179.1179.80111.1A153 D154 Y155 E159 E160 A165A153-K157 VanDerWaalsContact O-CB 3.32Å; A153-K157 WeakPolarHBondContact O-CB 3.46Å; A153-K157 PolarHBondContact O-N 2.73Å; D154-K157 PolarHBondContact O-N 2.99Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 3.43Å; K157-E159 VanDerWaalsContact C-N 3.3Å; K157-E159 PolarHBondContact O-N 3.39Å; K157-E160 PolarHBondContact O-N 3.23Å; K157-A165 HydrophobicContact CB-CB 4.41Å
158G91.3Very high92.1Very high63 Ų6356.2 Ų56.265%0.64930%0.299SS*.Hα-helixtrans-63.5-33.1174.800000113.6D154 Y155 E160D154-G158 PolarHBondContact O-N 3.28Å; Y155-G158 PolarHBondContact O-N 2.88Å; G158-E160 VanDerWaalsContact C-N 3.26Å; G158-E160 PolarHBondContact O-N 3.05Å
159E91.1Very high92.1Very high90 Ų9055.8 Ų55.842%0.42130%0.298SS..THydrogen-bonded Turntrans-88.316177.5-60.6-86.1106.700113F121 T122 Y155 Y156 K157 S161F121-E159 HydrophobicContact CB-CG 4.11Å; T122-E159 PolarHBondContact OG1-OE2 3.35Å; Y155-E159 VanDerWaalsContact O-CG 3.29Å; Y155-E159 WeakPolarHBondContact O-CG 3.4Å; Y155-E159 PolarHBondContact O-N 3.05Å; Y155-E159 VanDerWaalsContact O-N 3.14Å; Y156-E159 PolarHBondContact O-N 2.96Å; K157-E159 VanDerWaalsContact C-N 3.3Å; K157-E159 PolarHBondContact O-N 3.39Å; E159-S161 PolarHBondContact O-N 3.46Å
160E88.1Confident92Very high172 Ų17257.3 Ų57.380%0.80431%0.306SS*.THydrogen-bonded Turntrans56.218.6-177.2-56.9-173143.200114.7Y156 K157 G158 N162Y156-E160 PolarHBondContact O-N 3.05Å; K157-E160 PolarHBondContact O-N 3.23Å; G158-E160 VanDerWaalsContact C-N 3.26Å; G158-E160 PolarHBondContact O-N 3.05Å; E160-N162 VanDerWaalsContact C-N 3.33Å; E160-N162 PolarHBondContact O-N 3.41Å; E160-N162 VanDerWaalsContact O-N 3.09Å
161S88.1Confident91.9Very high40 Ų4058.2 Ų58.228%0.2831%0.309SS..  trans-88.466-179.4-160.60000111.8Y156 E159 S163 S164 A165Y156-S161 WeakPolarHBondContact O-CA 3.27Å; Y156-S161 WeakPolarHBondContact O-CB 3.41Å; Y156-S161 PolarHBondContact O-N 3.38Å; E159-S161 PolarHBondContact O-N 3.46Å; S161-S163 VanDerWaalsContact C-N 3.31Å; S161-S163 PolarHBondContact O-N 3.17Å; S161-S164 PolarHBondContact O-N 3.17Å; S161-A165 PolarHBondContact O-N 3.46Å
162N86.3Confident91.9Very high84 Ų8454.5 Ų54.545%0.44929%0.292SS..Hα-helixtrans-56.9-38.2-174.3-72.2-57.1000114.1E160 S164 A165 N166E160-N162 VanDerWaalsContact C-N 3.33Å; E160-N162 PolarHBondContact O-N 3.41Å; E160-N162 VanDerWaalsContact O-N 3.09Å; N162-S164 PolarHBondContact O-N 3.45Å; N162-A165 PolarHBondContact O-N 3.46Å; N162-N166 WeakPolarHBondContact O-CB 3.48Å; N162-N166 PolarHBondContact O-N 3.05Å; N162-N166 PolarHBondContact O-ND2 3.47Å; N162-N166 PolarHBondContact O-OD1 3.27Å
163S87.3Confident91.9Very high83 Ų8354.5 Ų54.558%0.5829%0.292SS*.Hα-helixtrans-63.4-42.6-179.9-55.80000112.7S161 K167S161-S163 VanDerWaalsContact C-N 3.31Å; S161-S163 PolarHBondContact O-N 3.17Å; S163-K167 PolarHBondContact O-N 2.88Å
164S90.1Very high91.8Very high44 Ų4455.4 Ų55.431%0.30830%0.299SS..Hα-helixtrans-72.9-38.4177.9-640000111.7S161 N162 K167 C168S161-S164 PolarHBondContact O-N 3.17Å; N162-S164 PolarHBondContact O-N 3.45Å; S164-K167 PolarHBondContact O-N 3.23Å; S164-C168 PolarHBondContact O-N 2.99Å; S164-C168 PolarHBondContact O-SG 3.09Å
165A92.1Very high91.7Very high2 Ų251.4 Ų51.42%0.01728%0.276CS..Hα-helixtrans-59.6-49.5173.900000110.8K157 S161 N162 K167 C168 L169K157-A165 HydrophobicContact CB-CB 4.41Å; S161-A165 PolarHBondContact O-N 3.46Å; N162-A165 PolarHBondContact O-N 3.46Å; A165-K167 VanDerWaalsContact C-N 3.29Å; A165-K167 PolarHBondContact O-N 3.24Å; A165-C168 PolarHBondContact O-N 3.38Å; A165-C168 VanDerWaalsContact O-N 3.07Å; A165-L169 WeakPolarHBondContact O-CG 3.32Å; A165-L169 PolarHBondContact O-N 3.32Å
166N91.1Very high91.6Very high10 Ų1049.1 Ų49.15%0.05327%0.267CS..Hα-helixtrans-58.2-40.8177.7-70.5-14.8000111.7N162 C168 L169 L170 V192N162-N166 WeakPolarHBondContact O-CB 3.48Å; N162-N166 PolarHBondContact O-N 3.05Å; N162-N166 PolarHBondContact O-ND2 3.47Å; N162-N166 PolarHBondContact O-OD1 3.27Å; N166-C168 VanDerWaalsContact C-N 3.32Å; N166-C168 PolarHBondContact O-N 2.97Å; N166-L169 PolarHBondContact O-N 2.95Å; N166-L170 WeakPolarHBondContact O-CB 3Å; N166-L170 WeakPolarHBondContact O-CG 3.49Å; N166-L170 PolarHBondContact O-N 3.41Å; N166-V192 HydrophobicContact CB-CG1 4.03Å
167K91.6Very high91.4Very high152 Ų15248.7 Ų48.766%0.66127%0.266SS*.Hα-helixtrans-60-41.4176.2-174.7-179.7175.8-174.30112.3S163 S164 A165S163-K167 PolarHBondContact O-N 2.88Å; S164-K167 PolarHBondContact O-N 3.23Å; A165-K167 VanDerWaalsContact C-N 3.29Å; A165-K167 PolarHBondContact O-N 3.24Å
168C94.4Very high91.2Very high4 Ų446.6 Ų46.63%0.02726%0.258CS..Hα-helixtrans-69.1-47.5176.8-58.60000111A153 S164 A165 N166 L170 K171 V172A153-C168 HydrophobicContact CB-CB 3.85Å; S164-C168 PolarHBondContact O-N 2.99Å; S164-C168 PolarHBondContact O-SG 3.09Å; A165-C168 PolarHBondContact O-N 3.38Å; A165-C168 VanDerWaalsContact O-N 3.07Å; N166-C168 VanDerWaalsContact C-N 3.32Å; N166-C168 PolarHBondContact O-N 2.97Å; C168-L170 VanDerWaalsContact C-N 3.29Å; C168-L170 PolarHBondContact O-N 3.36Å; C168-K171 WeakPolarHBondContact O-CA 3.05Å; C168-K171 WeakPolarHBondContact O-CB 3.23Å; C168-K171 PolarHBondContact O-N 3.47Å; C168-V172 WeakPolarHBondContact O-CG2 3.47Å; C168-V172 PolarHBondContact O-N 3.21Å
169L94.6Very high91.1Very high19 Ų1946.3 Ų46.310%0.09924%0.241CC..Hα-helixtrans-57.8-39.2178.7-72.3175.3000112.7A153 A165 N166 K171 V172 A173 I188 V192A153-L169 HydrophobicContact CB-CD2 3.71Å; A153-L169 HydrophobicContact CB-CG 3.8Å; A165-L169 WeakPolarHBondContact O-CG 3.32Å; A165-L169 PolarHBondContact O-N 3.32Å; N166-L169 PolarHBondContact O-N 2.95Å; L169-K171 VanDerWaalsContact C-N 3.29Å; L169-K171 PolarHBondContact O-N 3.34Å; L169-V172 WeakPolarHBondContact O-CB 3.29Å; L169-V172 PolarHBondContact O-N 3.5Å; L169-A173 WeakPolarHBondContact O-CB 3.36Å; L169-A173 PolarHBondContact O-N 3.22Å; L169-I188 HydrophobicContact CB-CG2 3.73Å; L169-I188 HydrophobicContact CD2-CG2 4.15Å; L169-I188 HydrophobicContact CG-CG2 4.43Å; L169-I188 WeakPolarHBondContact O-CG2 3.37Å; L169-V192 HydrophobicContact CB-CG2 3.7Å; L169-V192 HydrophobicContact CD1-CG2 3.83Å; L169-V192 HydrophobicContact CG-CG2 4.43Å
170L93.5Very high91Very high37 Ų3748.1 Ų48.119%0.19425%0.249CC..Hα-helixtrans-64.2-34.9176.4-70168.4000112.6N166 C168 A174 Y189 V192 Y209N166-L170 WeakPolarHBondContact O-CB 3Å; N166-L170 WeakPolarHBondContact O-CG 3.49Å; N166-L170 PolarHBondContact O-N 3.41Å; C168-L170 VanDerWaalsContact C-N 3.29Å; C168-L170 PolarHBondContact O-N 3.36Å; L170-A174 WeakPolarHBondContact O-CB 3.32Å; L170-A174 PolarHBondContact O-N 3.38Å; L170-Y189 HydrophobicContact CD2-CD1 3.92Å; L170-Y189 HydrophobicContact CD2-CE1 3.76Å; L170-V192 HydrophobicContact CD2-CG1 3.99Å; L170-V192 HydrophobicContact CG-CG1 4.19Å; L170-Y209 HydrophobicContact CD1-CD1 4.48Å; L170-Y209 HydrophobicContact CD1-CE1 3.56Å; L170-Y209 WeakPolarHBondContact CD1-OH 3.26Å; L170-Y209 HydrophobicContact CD2-CD1 3.45Å; L170-Y209 VanDerWaalsContact CD2-CD1 3.45Å; L170-Y209 HydrophobicContact CD2-CE1 3.37Å; L170-Y209 HydrophobicContact CD2-CG 4.14Å; L170-Y209 HydrophobicContact CG-CE1 4.11Å
171K93.8Very high91.1Very high73 Ų7343.5 Ų43.532%0.31723%0.228SC..Hα-helixtrans-68-44.8172.5-76.7-69.4-159.3150.70111E136 Y149 C168 L169 A173 A174 Y175E136-K171 IonicContact OE1-NZ 2.65Å; E136-K171 PolarHBondContact OE1-NZ 3.43Å; E136-K171 IonicContact OE2-NZ 3.91Å; E136-K171 PolarHBondContact OE2-NZ 3.23Å; Y149-K171 HydrophobicContact CD1-CB 4.38Å; Y149-K171 HydrophobicContact CD2-CB 4.12Å; Y149-K171 HydrophobicContact CE1-CB 4.39Å; Y149-K171 HydrophobicContact CE2-CB 4.12Å; Y149-K171 HydrophobicContact CG-CB 4.28Å; C168-K171 WeakPolarHBondContact O-CA 3.05Å; C168-K171 WeakPolarHBondContact O-CB 3.23Å; C168-K171 PolarHBondContact O-N 3.47Å; L169-K171 VanDerWaalsContact C-N 3.29Å; L169-K171 PolarHBondContact O-N 3.34Å; K171-A173 PolarHBondContact O-N 2.91Å; K171-A174 PolarHBondContact O-N 3.41Å; K171-Y175 HydrophobicContact CB-CE2 4.2Å; K171-Y175 HydrophobicContact CD-CE2 3.95Å; K171-Y175 PolarHBondContact NZ-OH 3.03Å; K171-Y175 WeakPolarHBondContact O-CD2 3.36Å; K171-Y175 PolarHBondContact O-N 2.8Å; K171-Y175 VanDerWaalsContact O-N 3.09Å
172V94.6Very high91.2Very high0 Ų042.8 Ų42.80%022%0.219CC..Hα-helixtrans-54.3-52.1174177.80000110.6I146 Y149 E150 C168 L169 A174 Y175 A176 I188I146-V172 HydrophobicContact CG2-CG1 4.06Å; Y149-V172 VanDerWaalsContact CB-CG2 3.44Å; E150-V172 HydrophobicContact CB-CG2 4.47Å; E150-V172 HydrophobicContact CG-CB 4.23Å; E150-V172 HydrophobicContact CG-CG1 3.49Å; E150-V172 VanDerWaalsContact CG-CG1 3.49Å; E150-V172 HydrophobicContact CG-CG2 3.6Å; C168-V172 WeakPolarHBondContact O-CG2 3.47Å; C168-V172 PolarHBondContact O-N 3.21Å; L169-V172 WeakPolarHBondContact O-CB 3.29Å; L169-V172 PolarHBondContact O-N 3.5Å; V172-A174 PolarHBondContact O-N 2.71Å; V172-Y175 PolarHBondContact O-N 3.48Å; V172-A176 WeakPolarHBondContact O-CB 3.24Å; V172-A176 PolarHBondContact O-N 2.84Å; V172-I188 HydrophobicContact CB-CD1 4.21Å; V172-I188 HydrophobicContact CG1-CD1 3.45Å; V172-I188 VanDerWaalsContact CG1-CD1 3.45Å
173A94.2Very high91.4Very high0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-63.6-40.7-178.300000112.5L169 K171 Y175 A176 A177 A185 I188 Y189L169-A173 WeakPolarHBondContact O-CB 3.36Å; L169-A173 PolarHBondContact O-N 3.22Å; K171-A173 PolarHBondContact O-N 2.91Å; A173-Y175 PolarHBondContact O-N 2.84Å; A173-A176 PolarHBondContact O-N 3.09Å; A173-A177 WeakPolarHBondContact O-CB 3.19Å; A173-A177 PolarHBondContact O-N 3.34Å; A173-A185 HydrophobicContact CB-CB 4.43Å; A173-A185 WeakPolarHBondContact O-CB 3.41Å; A173-I188 HydrophobicContact CB-CB 4.02Å; A173-I188 HydrophobicContact CB-CG2 3.82Å; A173-Y189 HydrophobicContact CB-CD1 4.06Å; A173-Y189 HydrophobicContact CB-CD2 3.91Å; A173-Y189 HydrophobicContact CB-CE1 3.73Å; A173-Y189 HydrophobicContact CB-CE2 3.58Å; A173-Y189 HydrophobicContact CB-CG 4.12Å; A173-Y189 VanDerWaalsContact CB-CZ 3.46Å
174A92Very high91.6Very high20 Ų2042.8 Ų42.817%0.16521%0.206CC..Hα-helixtrans-62.7-44.4179.100000112.2L170 K171 V172 Q178 Y189 W279L170-A174 WeakPolarHBondContact O-CB 3.32Å; L170-A174 PolarHBondContact O-N 3.38Å; K171-A174 PolarHBondContact O-N 3.41Å; V172-A174 PolarHBondContact O-N 2.71Å; A174-Q178 WeakPolarHBondContact O-CG 3.35Å; A174-Q178 PolarHBondContact O-N 3.19Å; A174-Y189 WeakPolarHBondContact CA-OH 3.29Å; A174-Y189 PolarHBondContact N-OH 2.93Å; A174-W279 PolarHBondContact O-NE1 3.23Å
175Y91.5Very high91.7Very high21 Ų2140.7 Ų40.78%0.08219%0.192CC..Hα-helixtrans-75-37.2177.5-66.6-51.3000112.7E136 I142 Y149 K171 V172 A173 A177 Q178 L179E136-Y175 HydrophobicContact CG-CE1 4.45Å; E136-Y175 PolarHBondContact OE1-OH 3.29Å; E136-Y175 PolarHBondContact OE2-OH 3.39Å; I142-Y175 HydrophobicContact CG2-CD1 3.93Å; I142-Y175 HydrophobicContact CG2-CG 3.87Å; Y149-Y175 HydrophobicContact CD2-CD2 4.49Å; Y149-Y175 HydrophobicContact CD2-CE2 4.4Å; Y149-Y175 HydrophobicContact CE2-CD2 4.45Å; Y149-Y175 AromaticContact CE2-CE2 3.93Å; Y149-Y175 HydrophobicContact CE2-CE2 3.93Å; K171-Y175 HydrophobicContact CB-CE2 4.2Å; K171-Y175 HydrophobicContact CD-CE2 3.95Å; K171-Y175 PolarHBondContact NZ-OH 3.03Å; K171-Y175 WeakPolarHBondContact O-CD2 3.36Å; K171-Y175 PolarHBondContact O-N 2.8Å; K171-Y175 VanDerWaalsContact O-N 3.09Å; V172-Y175 PolarHBondContact O-N 3.48Å; A173-Y175 PolarHBondContact O-N 2.84Å; Y175-A177 VanDerWaalsContact C-N 3.28Å; Y175-A177 PolarHBondContact O-N 2.94Å; Y175-Q178 WeakPolarHBondContact O-CB 3.48Å; Y175-Q178 PolarHBondContact O-N 3.25Å; Y175-L179 PolarHBondContact O-N 3.33Å
176A92.4Very high91.8Very high0 Ų040.7 Ų40.70%019%0.191CC..Hα-helixtrans-58.8-41.6174.300000111.1I146 V172 A173 Q178 L179 E180 Q181 A185I146-A176 HydrophobicContact CD1-CB 4.48Å; V172-A176 WeakPolarHBondContact O-CB 3.24Å; V172-A176 PolarHBondContact O-N 2.84Å; A173-A176 PolarHBondContact O-N 3.09Å; A176-Q178 VanDerWaalsContact C-N 3.34Å; A176-Q178 PolarHBondContact O-N 3.08Å; A176-L179 CarbonylContact O-C 3.54Å; A176-L179 PolarHBondContact O-N 3.3Å; A176-E180 PolarHBondContact O-N 3.38Å; A176-Q181 HydrophobicContact CB-CB 4.23Å; A176-Q181 WeakPolarHBondContact O-CA 3.42Å; A176-Q181 WeakPolarHBondContact O-CB 3.2Å; A176-Q181 PolarHBondContact O-N 3.35Å; A176-A185 HydrophobicContact CB-CB 4.23Å
177A90.6Very high91.9Very high0 Ų045.3 Ų45.30%021%0.212CC..Hα-helixtrans-63.4-37.2173.600000112.6A173 Y175 E180 Y182 A185 W279 M283 R286A173-A177 WeakPolarHBondContact O-CB 3.19Å; A173-A177 PolarHBondContact O-N 3.34Å; Y175-A177 VanDerWaalsContact C-N 3.28Å; Y175-A177 PolarHBondContact O-N 2.94Å; A177-E180 PolarHBondContact O-N 2.88Å; A177-Y182 HydrophobicContact CB-CD1 4.5Å; A177-Y182 WeakPolarHBondContact O-CE1 3.4Å; A177-A185 HydrophobicContact CB-CB 4.04Å; A177-W279 HydrophobicContact CB-CZ2 3.86Å; A177-M283 HydrophobicContact CB-SD 4.23Å; A177-R286 PolarHBondContact O-NH1 2.95Å
178Q87.3Confident92Very high65 Ų6538.7 Ų38.730%0.30418%0.184SC..Hα-helixtrans-65.1-39.3175.1-71.8177.3-0.700112.1A174 Y175 A176 E180 R286A174-Q178 WeakPolarHBondContact O-CG 3.35Å; A174-Q178 PolarHBondContact O-N 3.19Å; Y175-Q178 WeakPolarHBondContact O-CB 3.48Å; Y175-Q178 PolarHBondContact O-N 3.25Å; A176-Q178 VanDerWaalsContact C-N 3.34Å; A176-Q178 PolarHBondContact O-N 3.08Å; Q178-E180 PolarHBondContact O-N 3.1Å; Q178-R286 PolarHBondContact O-NH1 3.18Å; Q178-R286 PolarHBondContact O-NH2 3.25Å
179L88.8Confident91.9Very high57 Ų5738.7 Ų38.730%0.29818%0.184SC..THydrogen-bonded Turntrans-77.811.7174.4-64.5-176.4000114.2I142 E143 I146 Y175 A176 Q181I142-L179 HydrophobicContact CB-CD1 4.4Å; I142-L179 HydrophobicContact CB-CD2 4.35Å; I142-L179 HydrophobicContact CG2-CD1 3.97Å; I142-L179 HydrophobicContact CG2-CD2 4.32Å; I142-L179 HydrophobicContact CG2-CG 4.02Å; E143-L179 HydrophobicContact CG-CD1 3.65Å; I146-L179 HydrophobicContact CD1-CD1 3.52Å; I146-L179 HydrophobicContact CD1-CG 4.4Å; Y175-L179 PolarHBondContact O-N 3.33Å; A176-L179 CarbonylContact O-C 3.54Å; A176-L179 PolarHBondContact O-N 3.3Å; L179-Q181 HydrophobicContact CB-CG 4.47Å; L179-Q181 PolarHBondContact O-N 2.91Å; L179-Q181 VanDerWaalsContact O-N 3.14Å
180E88.3Confident91.7Very high128 Ų12840.1 Ų40.160%0.59819%0.19SC*.THydrogen-bonded Turntrans64.814.7178.3-53-179.2178.700114.3A176 A177 Q178 Y182 R286A176-E180 PolarHBondContact O-N 3.38Å; A177-E180 PolarHBondContact O-N 2.88Å; Q178-E180 PolarHBondContact O-N 3.1Å; E180-Y182 HydrophobicContact CB-CE2 3.83Å; E180-Y182 HydrophobicContact CG-CE2 4.26Å; E180-Y182 WeakPolarHBondContact O-CD2 3.44Å; E180-Y182 PolarHBondContact O-N 2.84Å; E180-R286 IonicContact OE1-NH2 2.88Å
181Q90.8Very high91.6Very high75 Ų7541.7 Ų41.735%0.3520%0.196SC..  trans-8357.1170.8-60-179.57.600110.3A176 L179 Q183 K184 A185A176-Q181 HydrophobicContact CB-CB 4.23Å; A176-Q181 WeakPolarHBondContact O-CA 3.42Å; A176-Q181 WeakPolarHBondContact O-CB 3.2Å; A176-Q181 PolarHBondContact O-N 3.35Å; L179-Q181 HydrophobicContact CB-CG 4.47Å; L179-Q181 PolarHBondContact O-N 2.91Å; L179-Q181 VanDerWaalsContact O-N 3.14Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.11Å; Q181-K184 HydrophobicContact CB-CB 4.31Å; Q181-K184 PolarHBondContact O-N 3.27Å; Q181-A185 PolarHBondContact O-N 3.26Å; Q181-A185 VanDerWaalsContact O-N 3.11Å
182Y91.1Very high91.4Very high25 Ų2538.2 Ų38.210%0.09818%0.181CC..Hα-helixtrans-60.4-39.6-173.3-58-67.9000112.9A177 E180 K184 A185 I186 C216 I219 V220 M283 R286A177-Y182 HydrophobicContact CB-CD1 4.5Å; A177-Y182 WeakPolarHBondContact O-CE1 3.4Å; E180-Y182 HydrophobicContact CB-CE2 3.83Å; E180-Y182 HydrophobicContact CG-CE2 4.26Å; E180-Y182 WeakPolarHBondContact O-CD2 3.44Å; E180-Y182 PolarHBondContact O-N 2.84Å; Y182-K184 VanDerWaalsContact C-N 3.33Å; Y182-K184 PolarHBondContact O-N 3.17Å; Y182-A185 PolarHBondContact O-N 3.22Å; Y182-A185 VanDerWaalsContact O-N 3.17Å; Y182-I186 WeakPolarHBondContact O-CD1 3.42Å; Y182-I186 WeakPolarHBondContact O-CG1 3.37Å; Y182-I186 PolarHBondContact O-N 3.24Å; Y182-C216 HydrophobicContact CD1-CB 4.44Å; Y182-I219 HydrophobicContact CD1-CB 4.45Å; Y182-I219 HydrophobicContact CD1-CD1 4.08Å; Y182-I219 HydrophobicContact CD1-CG2 4.42Å; Y182-I219 HydrophobicContact CD2-CG2 3.97Å; Y182-I219 HydrophobicContact CE1-CB 4.3Å; Y182-I219 HydrophobicContact CE1-CD1 3.52Å; Y182-I219 HydrophobicContact CE1-CG1 4.5Å; Y182-I219 HydrophobicContact CE1-CG2 3.99Å; Y182-I219 HydrophobicContact CE2-CB 4.43Å; Y182-I219 HydrophobicContact CE2-CG2 3.47Å; Y182-I219 VanDerWaalsContact CE2-CG2 3.47Å; Y182-I219 HydrophobicContact CG-CG2 4.41Å; Y182-I219 VanDerWaalsContact CZ-CG2 3.47Å; Y182-V220 HydrophobicContact CD2-CG2 4.25Å; Y182-V220 HydrophobicContact CG-CG2 4.21Å; Y182-M283 HydrophobicContact CE1-SD 4.07Å; Y182-R286 WeakPolarHBondContact OH-CD 3.45Å; Y182-R286 PolarHBondContact OH-NH1 2.9Å
183Q90.2Very high91.1Very high105 Ų10538.2 Ų38.249%0.49118%0.181SC..Hα-helixtrans-58.3-45.4178.7-174.856.840.800112Q181 I186 E187Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.11Å; Q183-I186 PolarHBondContact O-N 3.2Å; Q183-E187 PolarHBondContact NE2-OE1 3.36Å; Q183-E187 WeakPolarHBondContact O-CG 3.3Å; Q183-E187 PolarHBondContact O-N 3.38Å; Q183-E187 VanDerWaalsContact O-N 3.17Å
184K91.3Very high90.7Very high62 Ų6239.9 Ų39.927%0.2720%0.195SC..Hα-helixtrans-64.8-42.2176.6-173.8177.9-179.4179.90111.5E150 Q181 Y182 I186 E187 I188E150-K184 WeakPolarHBondContact OE1-CE 3.38Å; E150-K184 IonicContact OE1-NZ 3.34Å; E150-K184 PolarHBondContact OE1-NZ 3.4Å; E150-K184 IonicContact OE2-NZ 3.82Å; E150-K184 PolarHBondContact OE2-NZ 3.24Å; Q181-K184 HydrophobicContact CB-CB 4.31Å; Q181-K184 PolarHBondContact O-N 3.27Å; Y182-K184 VanDerWaalsContact C-N 3.33Å; Y182-K184 PolarHBondContact O-N 3.17Å; K184-I186 PolarHBondContact O-N 3.12Å; K184-E187 PolarHBondContact O-N 3.11Å; K184-I188 HydrophobicContact CG-CD1 4.08Å; K184-I188 WeakPolarHBondContact O-CD1 3.44Å; K184-I188 VanDerWaalsContact O-CG1 3.28Å; K184-I188 WeakPolarHBondContact O-CG1 3.36Å; K184-I188 PolarHBondContact O-N 2.83Å
185A92.8Very high90.4Very high0 Ų041.8 Ų41.80%020%0.202CC..Hα-helixtrans-63.1-41.1177.700000112.2A173 A176 A177 Q181 Y182 I188 Y189A173-A185 HydrophobicContact CB-CB 4.43Å; A173-A185 WeakPolarHBondContact O-CB 3.41Å; A176-A185 HydrophobicContact CB-CB 4.23Å; A177-A185 HydrophobicContact CB-CB 4.04Å; Q181-A185 PolarHBondContact O-N 3.26Å; Q181-A185 VanDerWaalsContact O-N 3.11Å; Y182-A185 PolarHBondContact O-N 3.22Å; Y182-A185 VanDerWaalsContact O-N 3.17Å; A185-I188 PolarHBondContact O-N 3.35Å; A185-Y189 HydrophobicContact CB-CD2 4.45Å; A185-Y189 HydrophobicContact CB-CE2 4.36Å; A185-Y189 WeakPolarHBondContact O-CD2 3.5Å; A185-Y189 PolarHBondContact O-N 2.9Å
186I93.1Very high90Very high2 Ų240.8 Ų40.81%0.0120%0.199CC..Hα-helixtrans-58.2-54176.6-72.3159.3000110.6Y182 Q183 K184 I188 Y189 E190 C216 H217Y182-I186 WeakPolarHBondContact O-CD1 3.42Å; Y182-I186 WeakPolarHBondContact O-CG1 3.37Å; Y182-I186 PolarHBondContact O-N 3.24Å; Q183-I186 PolarHBondContact O-N 3.2Å; K184-I186 PolarHBondContact O-N 3.12Å; I186-I188 PolarHBondContact O-N 3.33Å; I186-Y189 PolarHBondContact O-N 3.04Å; I186-Y189 VanDerWaalsContact O-N 3.13Å; I186-E190 HydrophobicContact CG2-CG 4.43Å; I186-E190 PolarHBondContact O-N 3.23Å; I186-C216 HydrophobicContact CD1-CB 4.03Å; I186-C216 HydrophobicContact CG1-CB 3.48Å; I186-C216 VanDerWaalsContact CG1-CB 3.48Å; I186-H217 HydrophobicContact CD1-CB 4.41Å; I186-H217 WeakPolarHBondContact CG2-NE2 3.32Å
187E92.4Very high89.4Confident106 Ų10643 Ų4350%0.49521%0.21SC..Hα-helixtrans-56.9-42-178-72.7169.6-161.400111.3Q183 K184 Q191Q183-E187 PolarHBondContact NE2-OE1 3.36Å; Q183-E187 WeakPolarHBondContact O-CG 3.3Å; Q183-E187 PolarHBondContact O-N 3.38Å; Q183-E187 VanDerWaalsContact O-N 3.17Å; K184-E187 PolarHBondContact O-N 3.11Å; E187-Q191 VanDerWaalsContact O-CB 3.29Å; E187-Q191 WeakPolarHBondContact O-CB 3.49Å; E187-Q191 PolarHBondContact O-N 3.12Å
188I94Very high88.8Confident13 Ų1349.8 Ų49.87%0.06725%0.246CC..Hα-helixtrans-68.4-44.9178.1-63.6167.9000111.3L169 V172 A173 K184 A185 I186 Q191 V192L169-I188 HydrophobicContact CB-CG2 3.73Å; L169-I188 HydrophobicContact CD2-CG2 4.15Å; L169-I188 HydrophobicContact CG-CG2 4.43Å; L169-I188 WeakPolarHBondContact O-CG2 3.37Å; V172-I188 HydrophobicContact CB-CD1 4.21Å; V172-I188 HydrophobicContact CG1-CD1 3.45Å; V172-I188 VanDerWaalsContact CG1-CD1 3.45Å; A173-I188 HydrophobicContact CB-CB 4.02Å; A173-I188 HydrophobicContact CB-CG2 3.82Å; K184-I188 HydrophobicContact CG-CD1 4.08Å; K184-I188 WeakPolarHBondContact O-CD1 3.44Å; K184-I188 VanDerWaalsContact O-CG1 3.28Å; K184-I188 WeakPolarHBondContact O-CG1 3.36Å; K184-I188 PolarHBondContact O-N 2.83Å; A185-I188 PolarHBondContact O-N 3.35Å; I186-I188 PolarHBondContact O-N 3.33Å; I188-Q191 PolarHBondContact O-N 3.31Å; I188-V192 HydrophobicContact CG2-CG2 4.32Å; I188-V192 WeakPolarHBondContact O-CB 3.48Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.35Å; I188-V192 PolarHBondContact O-N 3.08Å
189Y93.3Very high88.3Confident4 Ų449.5 Ų49.52%0.01625%0.246CC..Hα-helixtrans-65.3-39.5178.6-77.6-54000112.3L170 A173 A174 A185 I186 G193 K212 W279L170-Y189 HydrophobicContact CD2-CD1 3.92Å; L170-Y189 HydrophobicContact CD2-CE1 3.76Å; A173-Y189 HydrophobicContact CB-CD1 4.06Å; A173-Y189 HydrophobicContact CB-CD2 3.91Å; A173-Y189 HydrophobicContact CB-CE1 3.73Å; A173-Y189 HydrophobicContact CB-CE2 3.58Å; A173-Y189 HydrophobicContact CB-CG 4.12Å; A173-Y189 VanDerWaalsContact CB-CZ 3.46Å; A174-Y189 WeakPolarHBondContact CA-OH 3.29Å; A174-Y189 PolarHBondContact N-OH 2.93Å; A185-Y189 HydrophobicContact CB-CD2 4.45Å; A185-Y189 HydrophobicContact CB-CE2 4.36Å; A185-Y189 WeakPolarHBondContact O-CD2 3.5Å; A185-Y189 PolarHBondContact O-N 2.9Å; I186-Y189 PolarHBondContact O-N 3.04Å; I186-Y189 VanDerWaalsContact O-N 3.13Å; Y189-G193 WeakPolarHBondContact O-CA 3.47Å; Y189-G193 PolarHBondContact O-N 2.93Å; Y189-K212 HydrophobicContact CD1-CB 4.33Å; Y189-K212 HydrophobicContact CD2-CB 4.14Å; Y189-K212 HydrophobicContact CE1-CB 4.14Å; Y189-K212 HydrophobicContact CE1-CD 3.94Å; Y189-K212 HydrophobicContact CE2-CB 3.92Å; Y189-K212 HydrophobicContact CG-CB 4.36Å; Y189-W279 HydrophobicContact CE2-CH2 4.47Å; Y189-W279 HydrophobicContact CE2-CZ2 4.16Å
190E90.8Very high87.6Confident49 Ų4951.8 Ų51.823%0.22926%0.264CS..Hα-helixtrans-64.2-43.8174-76.4-158.5131.400111.4I186 G193 A194 K231 Y232I186-E190 HydrophobicContact CG2-CG 4.43Å; I186-E190 PolarHBondContact O-N 3.23Å; E190-G193 PolarHBondContact O-N 3.11Å; E190-A194 WeakPolarHBondContact O-CB 3.42Å; E190-A194 PolarHBondContact O-N 2.96Å; E190-K231 IonicContact OE1-NZ 2.63Å; E190-K231 PolarHBondContact OE1-NZ 3.3Å; E190-K231 IonicContact OE2-NZ 4Å; E190-Y232 HydrophobicContact CG-CE1 4.23Å; E190-Y232 VanDerWaalsContact CG-OH 3.3Å; E190-Y232 WeakPolarHBondContact CG-OH 3.35Å; E190-Y232 WeakPolarHBondContact OE1-CE1 3.49Å; E190-Y232 PolarHBondContact OE1-OH 3.33Å; E190-Y232 VanDerWaalsContact OE1-OH 3.1Å
191Q90.6Very high87Confident70 Ų7052.8 Ų52.833%0.32727%0.273SS..Hα-helixtrans-61.9-46.8177.4-175.3-172.2-30.400111.5E187 I188 A194 N195E187-Q191 VanDerWaalsContact O-CB 3.29Å; E187-Q191 WeakPolarHBondContact O-CB 3.49Å; E187-Q191 PolarHBondContact O-N 3.12Å; I188-Q191 PolarHBondContact O-N 3.31Å; Q191-A194 PolarHBondContact O-N 3.07Å; Q191-N195 WeakPolarHBondContact O-CB 3.42Å; Q191-N195 PolarHBondContact O-N 2.78Å; Q191-N195 PolarHBondContact O-ND2 3.48Å
192V90.6Very high86.2Confident0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-67.2-39.6177.7175.80000110.7N166 L169 L170 I188 N195 T196 Y209N166-V192 HydrophobicContact CB-CG1 4.03Å; L169-V192 HydrophobicContact CB-CG2 3.7Å; L169-V192 HydrophobicContact CD1-CG2 3.83Å; L169-V192 HydrophobicContact CG-CG2 4.43Å; L170-V192 HydrophobicContact CD2-CG1 3.99Å; L170-V192 HydrophobicContact CG-CG1 4.19Å; I188-V192 HydrophobicContact CG2-CG2 4.32Å; I188-V192 WeakPolarHBondContact O-CB 3.48Å; I188-V192 VanDerWaalsContact O-CG2 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.35Å; I188-V192 PolarHBondContact O-N 3.08Å; V192-N195 PolarHBondContact O-N 2.85Å; V192-T196 HydrophobicContact CG1-CG2 4.22Å; V192-T196 WeakPolarHBondContact O-CB 3.41Å; V192-T196 VanDerWaalsContact O-CG2 3.29Å; V192-T196 WeakPolarHBondContact O-CG2 3.5Å; V192-T196 PolarHBondContact O-N 3.39Å; V192-T196 PolarHBondContact O-OG1 3.34Å; V192-Y209 HydrophobicContact CG1-CD2 3.87Å; V192-Y209 HydrophobicContact CG1-CE2 3.85Å; V192-Y209 HydrophobicContact CG1-CG 4.46Å
193G87.9Confident85.3Confident0 Ų055.2 Ų55.20%029%0.285CS..Hα-helixtrans-55.3-53.5173.100000111.8Y189 E190 N195 T196 M197Y189-G193 WeakPolarHBondContact O-CA 3.47Å; Y189-G193 PolarHBondContact O-N 2.93Å; E190-G193 PolarHBondContact O-N 3.11Å; G193-N195 PolarHBondContact O-N 2.91Å; G193-T196 PolarHBondContact O-N 2.98Å; G193-T196 PolarHBondContact O-OG1 3.01Å; G193-M197 WeakPolarHBondContact O-CG 3.28Å; G193-M197 PolarHBondContact O-N 3.12Å; G193-M197 VanDerWaalsContact O-N 3.09Å
194A85.9Confident84.5Confident36 Ų3659 Ų5930%0.29830%0.296SS..Hα-helixtrans-56.1-50.917600000112.3E190 Q191 T196 M197 D198E190-A194 WeakPolarHBondContact O-CB 3.42Å; E190-A194 PolarHBondContact O-N 2.96Å; Q191-A194 PolarHBondContact O-N 3.07Å; A194-T196 VanDerWaalsContact C-N 3.26Å; A194-T196 PolarHBondContact O-N 2.87Å; A194-M197 PolarHBondContact O-N 3.46Å; A194-M197 VanDerWaalsContact O-N 3.16Å; A194-D198 PolarHBondContact O-N 3.33Å
195N84.6Confident84.1Confident59 Ų5958.3 Ų58.332%0.31630%0.299SS..Hα-helixtrans-62.7-31.8-179.7-68.9-13.5000113.2Q191 V192 G193Q191-N195 WeakPolarHBondContact O-CB 3.42Å; Q191-N195 PolarHBondContact O-N 2.78Å; Q191-N195 PolarHBondContact O-ND2 3.48Å; V192-N195 PolarHBondContact O-N 2.85Å; G193-N195 PolarHBondContact O-N 2.91Å
196T83.4Confident83.6Confident1 Ų158.3 Ų58.31%0.00630%0.299CS..Hα-helixtrans-80.5-22.3178.655.30000113.5V192 G193 A194 D198 N199 L202 Y209V192-T196 HydrophobicContact CG1-CG2 4.22Å; V192-T196 WeakPolarHBondContact O-CB 3.41Å; V192-T196 VanDerWaalsContact O-CG2 3.29Å; V192-T196 WeakPolarHBondContact O-CG2 3.5Å; V192-T196 PolarHBondContact O-N 3.39Å; V192-T196 PolarHBondContact O-OG1 3.34Å; G193-T196 PolarHBondContact O-N 2.98Å; G193-T196 PolarHBondContact O-OG1 3.01Å; A194-T196 VanDerWaalsContact C-N 3.26Å; A194-T196 PolarHBondContact O-N 2.87Å; T196-D198 VanDerWaalsContact C-N 3.35Å; T196-N199 PolarHBondContact O-N 3.02Å; T196-L202 HydrophobicContact CG2-CB 4.11Å; T196-L202 HydrophobicContact CG2-CD1 3.97Å; T196-Y209 HydrophobicContact CG2-CD2 4.34Å; T196-Y209 HydrophobicContact CG2-CE2 3.76Å
197M79.9Confident83.2Confident47 Ų4760.4 Ų60.423%0.23231%0.308CS..Hα-helixtrans-69.1-33.8172.9-71.2-167.6-59.700112.6G193 A194 N199 A206 F210 M235 F236G193-M197 WeakPolarHBondContact O-CG 3.28Å; G193-M197 PolarHBondContact O-N 3.12Å; G193-M197 VanDerWaalsContact O-N 3.09Å; A194-M197 PolarHBondContact O-N 3.46Å; A194-M197 VanDerWaalsContact O-N 3.16Å; M197-N199 PolarHBondContact O-N 3.12Å; M197-A206 HydrophobicContact CG-CB 4.13Å; M197-F210 HydrophobicContact CE-CE2 4.38Å; M197-F210 HydrophobicContact CE-CZ 3.85Å; M197-F210 HydrophobicContact CG-CE2 4.17Å; M197-F210 HydrophobicContact CG-CZ 4.44Å; M197-F210 HydrophobicContact SD-CE2 3.74Å; M197-F210 HydrophobicContact SD-CZ 3.83Å; M197-M235 HydrophobicContact CE-CE 3.58Å; M197-F236 HydrophobicContact SD-CB 4.31Å; M197-F236 HydrophobicContact SD-CD2 4.09Å
198D77.8Confident82.9Confident141 Ų14158.3 Ų58.375%0.75430%0.301SS*.SBendtrans-63.9-20.8175.5-70.9-20.1000112.4A194 T196 P200A194-D198 PolarHBondContact O-N 3.33Å; T196-D198 VanDerWaalsContact C-N 3.35Å; D198-P200 WeakPolarHBondContact O-CD 3.43Å
199N77.7Confident82.7Confident60 Ų6059.2 Ų59.232%0.32130%0.303SS..SBendtrans-103.7110.7177.9-168.3-27.1000111.9T196 M197 L201 L202 K203T196-N199 PolarHBondContact O-N 3.02Å; M197-N199 PolarHBondContact O-N 3.12Å; N199-L201 PolarHBondContact O-N 2.93Å; N199-L201 WeakPolarHBondContact OD1-CB 3.46Å; N199-L201 PolarHBondContact OD1-N 3.15Å; N199-L201 VanDerWaalsContact OD1-N 3.08Å; N199-L202 HydrophobicContact CB-CB 4.44Å; N199-L202 HydrophobicContact CB-CD1 4.46Å; N199-L202 HydrophobicContact CB-CG 4.49Å; N199-L202 PolarHBondContact O-N 3.07Å; N199-K203 PolarHBondContact O-N 2.75Å
200P72.9Confident82.5Confident104 Ų10459.1 Ų59.168%0.67530%0.303SS*.THydrogen-bonded Turntrans-55.9-25.4-179.4-26.434.6000114.9D198D198-P200 WeakPolarHBondContact O-CD 3.43Å
201L75.8Confident82.5Confident149 Ų14956.9 Ų56.978%0.7829%0.293SS*.THydrogen-bonded Turntrans-76-31.2179.9-61.1174.9000112.9N199N199-L201 PolarHBondContact O-N 2.93Å; N199-L201 WeakPolarHBondContact OD1-CB 3.46Å; N199-L201 PolarHBondContact OD1-N 3.15Å; N199-L201 VanDerWaalsContact OD1-N 3.08Å
202L74.9Confident82.5Confident52 Ų5254.4 Ų54.427%0.27228%0.281SS..THydrogen-bonded Turntrans-97.6-1.5-177.2-60.5178.5000112.8T196 N199 Y204 S205 A206T196-L202 HydrophobicContact CG2-CB 4.11Å; T196-L202 HydrophobicContact CG2-CD1 3.97Å; N199-L202 HydrophobicContact CB-CB 4.44Å; N199-L202 HydrophobicContact CB-CD1 4.46Å; N199-L202 HydrophobicContact CB-CG 4.49Å; N199-L202 PolarHBondContact O-N 3.07Å; L202-Y204 PolarHBondContact O-N 3.45Å; L202-S205 WeakPolarHBondContact O-CB 3.29Å; L202-S205 PolarHBondContact O-N 3.41Å; L202-A206 PolarHBondContact O-N 3.48Å
203K71Confident82.5Confident99 Ų9954.4 Ų54.443%0.4328%0.281SS..THydrogen-bonded Turntrans-51.7-32-178.8-167.1178.7-179178.70114.1N199 F236N199-K203 PolarHBondContact O-N 2.75Å; K203-F236 HydrophobicContact CD-CE2 3.97Å; K203-F236 HydrophobicContact CD-CZ 4.28Å; K203-F236 HydrophobicContact CG-CE2 3.47Å; K203-F236 VanDerWaalsContact CG-CE2 3.47Å; K203-F236 HydrophobicContact CG-CZ 3.68Å
204Y74.4Confident82.6Confident184 Ų18454.5 Ų54.572%0.72228%0.281SS*.THydrogen-bonded Turntrans-75.7-30.9177.7-67-78.6000113L202L202-Y204 PolarHBondContact O-N 3.45Å
205S81.6Confident82.9Confident48 Ų4852.8 Ų52.834%0.33627%0.267SS..THydrogen-bonded Turntrans-76-24.9177.9-57.10000112.6L202 K207 D208 Y209L202-S205 WeakPolarHBondContact O-CB 3.29Å; L202-S205 PolarHBondContact O-N 3.41Å; S205-K207 PolarHBondContact O-N 3.43Å; S205-D208 PolarHBondContact O-N 2.95Å; S205-D208 VanDerWaalsContact O-N 3.1Å; S205-Y209 PolarHBondContact O-N 3.06Å
206A83.1Confident83.2Confident0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-56.2-32.9177.700000113M197 L202 D208 Y209 F210M197-A206 HydrophobicContact CG-CB 4.13Å; L202-A206 PolarHBondContact O-N 3.48Å; A206-D208 VanDerWaalsContact C-N 3.31Å; A206-D208 PolarHBondContact O-N 3.31Å; A206-Y209 PolarHBondContact O-N 3.38Å; A206-F210 HydrophobicContact CB-CD2 4.41Å; A206-F210 HydrophobicContact CB-CE2 4.12Å; A206-F210 WeakPolarHBondContact O-CD2 3.08Å; A206-F210 PolarHBondContact O-N 3.28Å
207K84.9Confident83.4Confident46 Ų4651 Ų5120%0.226%0.257CS..Hα-helixtrans-59.2-41.6177.8-54.4-173.6-165.4-1580112.3S205 Y209 F211 F236 A238 F239S205-K207 PolarHBondContact O-N 3.43Å; K207-Y209 VanDerWaalsContact C-N 3.34Å; K207-F211 VanDerWaalsContact O-CB 3.27Å; K207-F211 WeakPolarHBondContact O-CB 3.44Å; K207-F211 PolarHBondContact O-N 2.94Å; K207-F236 HydrophobicContact CD-CE1 4.43Å; K207-F236 HydrophobicContact CG-CE1 3.93Å; K207-A238 PolarHBondContact NZ-O 3.38Å; K207-A238 VanDerWaalsContact NZ-O 3.11Å; K207-F239 HydrophobicContact CB-CD2 4.19Å; K207-F239 HydrophobicContact CB-CE2 4.48Å; K207-F239 HydrophobicContact CG-CD2 4.44Å
208D86.6Confident83.7Confident62 Ų6249.1 Ų49.133%0.33225%0.247SC..Hα-helixtrans-66.1-39.1178.7-177.164.9000110.7S205 A206 F211 K212S205-D208 PolarHBondContact O-N 2.95Å; S205-D208 VanDerWaalsContact O-N 3.1Å; A206-D208 VanDerWaalsContact C-N 3.31Å; A206-D208 PolarHBondContact O-N 3.31Å; D208-F211 PolarHBondContact O-N 3.45Å; D208-K212 WeakPolarHBondContact O-CB 3.44Å; D208-K212 VanDerWaalsContact O-CG 3.25Å; D208-K212 WeakPolarHBondContact O-CG 3.34Å; D208-K212 PolarHBondContact O-N 3.47Å; D208-K212 WeakPolarHBondContact OD1-CE 3.11Å; D208-K212 WeakPolarHBondContact OD2-CE 3.45Å
209Y89.6Confident84Confident32 Ų3244.3 Ų44.313%0.12522%0.221CC..Hα-helixtrans-68-44.4179.3-51.1-31.2000112.3L170 V192 T196 S205 A206 K207 F211 K212 A213L170-Y209 HydrophobicContact CD1-CD1 4.48Å; L170-Y209 HydrophobicContact CD1-CE1 3.56Å; L170-Y209 WeakPolarHBondContact CD1-OH 3.26Å; L170-Y209 HydrophobicContact CD2-CD1 3.45Å; L170-Y209 VanDerWaalsContact CD2-CD1 3.45Å; L170-Y209 HydrophobicContact CD2-CE1 3.37Å; L170-Y209 HydrophobicContact CD2-CG 4.14Å; L170-Y209 HydrophobicContact CG-CE1 4.11Å; V192-Y209 HydrophobicContact CG1-CD2 3.87Å; V192-Y209 HydrophobicContact CG1-CE2 3.85Å; V192-Y209 HydrophobicContact CG1-CG 4.46Å; T196-Y209 HydrophobicContact CG2-CD2 4.34Å; T196-Y209 HydrophobicContact CG2-CE2 3.76Å; S205-Y209 PolarHBondContact O-N 3.06Å; A206-Y209 PolarHBondContact O-N 3.38Å; K207-Y209 VanDerWaalsContact C-N 3.34Å; Y209-F211 VanDerWaalsContact C-N 3.33Å; Y209-F211 PolarHBondContact O-N 3.01Å; Y209-K212 PolarHBondContact O-N 3.19Å; Y209-A213 WeakPolarHBondContact O-CB 3.27Å; Y209-A213 PolarHBondContact O-N 3.22Å
210F88.8Confident84.3Confident3 Ų345 Ų451%0.01323%0.227CC..Hα-helixtrans-65-37.3174.8-69.4-56.5000112.3M197 A206 A213 A214 Y232 F239M197-F210 HydrophobicContact CE-CE2 4.38Å; M197-F210 HydrophobicContact CE-CZ 3.85Å; M197-F210 HydrophobicContact CG-CE2 4.17Å; M197-F210 HydrophobicContact CG-CZ 4.44Å; M197-F210 HydrophobicContact SD-CE2 3.74Å; M197-F210 HydrophobicContact SD-CZ 3.83Å; A206-F210 HydrophobicContact CB-CD2 4.41Å; A206-F210 HydrophobicContact CB-CE2 4.12Å; A206-F210 WeakPolarHBondContact O-CD2 3.08Å; A206-F210 PolarHBondContact O-N 3.28Å; F210-A213 PolarHBondContact O-N 3.43Å; F210-A214 WeakPolarHBondContact O-CB 3.39Å; F210-A214 PolarHBondContact O-N 3.32Å; F210-Y232 HydrophobicContact CB-CD2 3.95Å; F210-Y232 HydrophobicContact CB-CE2 4.31Å; F210-Y232 HydrophobicContact CB-CG 4.13Å; F210-Y232 AromaticContact CD1-CD1 3.41Å; F210-Y232 HydrophobicContact CD1-CD1 3.41Å; F210-Y232 VanDerWaalsContact CD1-CD1 3.41Å; F210-Y232 HydrophobicContact CD1-CD2 4.13Å; F210-Y232 AromaticContact CD1-CE1 3.49Å; F210-Y232 HydrophobicContact CD1-CE1 3.49Å; F210-Y232 VanDerWaalsContact CD1-CE1 3.49Å; F210-Y232 HydrophobicContact CD1-CE2 4.2Å; F210-Y232 AromaticContact CD1-CG 3.76Å; F210-Y232 HydrophobicContact CD1-CG 3.76Å; F210-Y232 AromaticContact CD1-CZ 3.9Å; F210-Y232 AromaticContact CE1-CD1 3.76Å; F210-Y232 HydrophobicContact CE1-CD1 3.76Å; F210-Y232 AromaticContact CE1-CE1 3.84Å; F210-Y232 HydrophobicContact CE1-CE1 3.84Å; F210-Y232 HydrophobicContact CE1-CG 4.48Å; F210-Y232 HydrophobicContact CG-CD1 4.18Å; F210-Y232 HydrophobicContact CG-CD2 4.36Å; F210-Y232 HydrophobicContact CG-CG 4.1Å; F210-F239 HydrophobicContact CB-CE2 4.19Å; F210-F239 HydrophobicContact CB-CZ 4.24Å
211F89.8Confident84.8Confident2 Ų243.3 Ų43.31%0.00921%0.213CC..Hα-helixtrans-61.3-47.4173.7178.1-122.3000111.7K207 D208 Y209 A213 A214 L215 E244 L247 L248 L280K207-F211 VanDerWaalsContact O-CB 3.27Å; K207-F211 WeakPolarHBondContact O-CB 3.44Å; K207-F211 PolarHBondContact O-N 2.94Å; D208-F211 PolarHBondContact O-N 3.45Å; Y209-F211 VanDerWaalsContact C-N 3.33Å; Y209-F211 PolarHBondContact O-N 3.01Å; F211-A213 PolarHBondContact O-N 2.63Å; F211-A214 PolarHBondContact O-N 3.34Å; F211-L215 HydrophobicContact CD1-CD1 4.27Å; F211-L215 HydrophobicContact CE1-CD1 3.85Å; F211-L215 HydrophobicContact CE2-CD1 4.11Å; F211-L215 HydrophobicContact CE2-CD2 4.39Å; F211-L215 HydrophobicContact CE2-CG 4.2Å; F211-L215 HydrophobicContact CZ-CD1 3.73Å; F211-L215 HydrophobicContact CZ-CG 4.31Å; F211-L215 WeakPolarHBondContact O-CG 3.28Å; F211-L215 PolarHBondContact O-N 2.86Å; F211-E244 HydrophobicContact CB-CB 3.91Å; F211-E244 HydrophobicContact CB-CG 4.24Å; F211-E244 HydrophobicContact CD1-CB 4.34Å; F211-E244 HydrophobicContact CD1-CG 4.15Å; F211-E244 HydrophobicContact CD2-CB 3.71Å; F211-E244 HydrophobicContact CD2-CG 4.39Å; F211-E244 HydrophobicContact CE2-CB 4.33Å; F211-E244 HydrophobicContact CG-CB 3.74Å; F211-E244 HydrophobicContact CG-CG 4.02Å; F211-L247 HydrophobicContact CE2-CD2 4.16Å; F211-L247 HydrophobicContact CZ-CD2 3.86Å; F211-L248 HydrophobicContact CD2-CD1 3.66Å; F211-L248 HydrophobicContact CD2-CD2 4Å; F211-L248 HydrophobicContact CD2-CG 3.64Å; F211-L248 HydrophobicContact CE2-CD1 4.26Å; F211-L248 HydrophobicContact CE2-CD2 3.85Å; F211-L248 HydrophobicContact CE2-CG 3.71Å; F211-L280 HydrophobicContact CD1-CD2 4.01Å; F211-L280 HydrophobicContact CE1-CD1 4.09Å; F211-L280 HydrophobicContact CE1-CD2 3.36Å; F211-L280 HydrophobicContact CE1-CG 4.38Å; F211-L280 HydrophobicContact CZ-CD2 4.15Å
212K91.1Very high85Confident17 Ų1738.3 Ų38.37%0.07419%0.186CC..Hα-helixtrans-63.4-39.9176.3-68.5179-178.5-79.80112.2Y189 D208 Y209 L215 C216 D277 W279Y189-K212 HydrophobicContact CD1-CB 4.33Å; Y189-K212 HydrophobicContact CD2-CB 4.14Å; Y189-K212 HydrophobicContact CE1-CB 4.14Å; Y189-K212 HydrophobicContact CE1-CD 3.94Å; Y189-K212 HydrophobicContact CE2-CB 3.92Å; Y189-K212 HydrophobicContact CG-CB 4.36Å; D208-K212 WeakPolarHBondContact O-CB 3.44Å; D208-K212 VanDerWaalsContact O-CG 3.25Å; D208-K212 WeakPolarHBondContact O-CG 3.34Å; D208-K212 PolarHBondContact O-N 3.47Å; D208-K212 WeakPolarHBondContact OD1-CE 3.11Å; D208-K212 WeakPolarHBondContact OD2-CE 3.45Å; Y209-K212 PolarHBondContact O-N 3.19Å; K212-L215 PolarHBondContact O-N 3.17Å; K212-C216 PolarHBondContact O-N 2.89Å; K212-C216 VanDerWaalsContact O-N 3.09Å; K212-C216 PolarHBondContact O-SG 3.36Å; K212-D277 IonicContact NZ-OD2 3.5Å; K212-W279 HydrophobicContact CB-CH2 3.64Å; K212-W279 HydrophobicContact CB-CZ3 3.91Å; K212-W279 HydrophobicContact CD-CE3 4.41Å; K212-W279 HydrophobicContact CD-CH2 4.31Å; K212-W279 HydrophobicContact CD-CZ3 4.11Å; K212-W279 HydrophobicContact CG-CE3 4.2Å; K212-W279 HydrophobicContact CG-CH2 3.75Å; K212-W279 HydrophobicContact CG-CZ3 3.49Å; K212-W279 VanDerWaalsContact CG-CZ3 3.49Å; K212-W279 VanDerWaalsContact NZ-CE3 3.34Å
213A91.1Very high85.4Confident0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-62.9-46174.700000112Y209 F210 F211 L215 C216 H217 Y232Y209-A213 WeakPolarHBondContact O-CB 3.27Å; Y209-A213 PolarHBondContact O-N 3.22Å; F210-A213 PolarHBondContact O-N 3.43Å; F211-A213 PolarHBondContact O-N 2.63Å; A213-L215 PolarHBondContact O-N 3.24Å; A213-C216 WeakPolarHBondContact O-CB 3.46Å; A213-C216 PolarHBondContact O-N 2.92Å; A213-H217 PolarHBondContact O-CD2 3.48Å; A213-H217 PolarHBondContact O-N 3.47Å; A213-Y232 HydrophobicContact CB-CE2 4.38Å; A213-Y232 WeakPolarHBondContact CB-OH 3.47Å
214A90.4Very high86.1Confident2 Ų239.3 Ų39.32%0.01720%0.195CC..Hα-helixtrans-63.4-39.8178.200000112.4F210 F211 C216 H217 F218 Y232 L248F210-A214 WeakPolarHBondContact O-CB 3.39Å; F210-A214 PolarHBondContact O-N 3.32Å; F211-A214 PolarHBondContact O-N 3.34Å; A214-C216 VanDerWaalsContact C-N 3.32Å; A214-C216 PolarHBondContact O-N 3.23Å; A214-H217 WeakPolarHBondContact O-CB 3.47Å; A214-H217 PolarHBondContact O-N 2.93Å; A214-F218 WeakPolarHBondContact O-CB 3.5Å; A214-F218 PolarHBondContact O-N 3.29Å; A214-Y232 HydrophobicContact CB-CE2 4.13Å; A214-L248 HydrophobicContact CB-CD1 3.45Å; A214-L248 VanDerWaalsContact CB-CD1 3.45Å; A214-L248 HydrophobicContact CB-CD2 4.1Å; A214-L248 HydrophobicContact CB-CG 4.44Å
215L90.5Very high86.6Confident0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-61.9-40.4172.9-71.9174.3000111.9F211 K212 A213 F218 I219 L248 W279 L280 L284 I287F211-L215 HydrophobicContact CD1-CD1 4.27Å; F211-L215 HydrophobicContact CE1-CD1 3.85Å; F211-L215 HydrophobicContact CE2-CD1 4.11Å; F211-L215 HydrophobicContact CE2-CD2 4.39Å; F211-L215 HydrophobicContact CE2-CG 4.2Å; F211-L215 HydrophobicContact CZ-CD1 3.73Å; F211-L215 HydrophobicContact CZ-CG 4.31Å; F211-L215 WeakPolarHBondContact O-CG 3.28Å; F211-L215 PolarHBondContact O-N 2.86Å; K212-L215 PolarHBondContact O-N 3.17Å; A213-L215 PolarHBondContact O-N 3.24Å; L215-F218 PolarHBondContact O-N 2.91Å; L215-I219 WeakPolarHBondContact O-CG1 3.43Å; L215-I219 PolarHBondContact O-N 3.45Å; L215-L248 HydrophobicContact CD2-CD2 3.76Å; L215-L248 HydrophobicContact CG-CD2 4.1Å; L215-W279 HydrophobicContact CD1-CZ3 4.22Å; L215-L280 HydrophobicContact CD1-CD2 3.45Å; L215-L280 VanDerWaalsContact CD1-CD2 3.45Å; L215-L284 HydrophobicContact CD2-CD2 3.89Å; L215-I287 HydrophobicContact CD2-CD1 3.81Å
216C90.9Very high86.8Confident0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-66-41.3175.5-64.70000111.6Y182 I186 K212 A213 A214 F218 I219 V220Y182-C216 HydrophobicContact CD1-CB 4.44Å; I186-C216 HydrophobicContact CD1-CB 4.03Å; I186-C216 HydrophobicContact CG1-CB 3.48Å; I186-C216 VanDerWaalsContact CG1-CB 3.48Å; K212-C216 PolarHBondContact O-N 2.89Å; K212-C216 VanDerWaalsContact O-N 3.09Å; K212-C216 PolarHBondContact O-SG 3.36Å; A213-C216 WeakPolarHBondContact O-CB 3.46Å; A213-C216 PolarHBondContact O-N 2.92Å; A214-C216 VanDerWaalsContact C-N 3.32Å; A214-C216 PolarHBondContact O-N 3.23Å; C216-F218 VanDerWaalsContact C-N 3.27Å; C216-F218 PolarHBondContact O-N 2.91Å; C216-I219 PolarHBondContact O-N 3.39Å; C216-V220 WeakPolarHBondContact O-CG2 3.19Å; C216-V220 PolarHBondContact O-N 3.46Å
217H89.1Confident87.1Confident24 Ų2435.4 Ų35.411%0.11118%0.181CC..Hα-helixtrans-58.2-42.3172.3-84.7-70.5000111.5I186 A213 A214 I219 V220 D221 A225I186-H217 HydrophobicContact CD1-CB 4.41Å; I186-H217 WeakPolarHBondContact CG2-NE2 3.32Å; A213-H217 PolarHBondContact O-CD2 3.48Å; A213-H217 PolarHBondContact O-N 3.47Å; A214-H217 WeakPolarHBondContact O-CB 3.47Å; A214-H217 PolarHBondContact O-N 2.93Å; H217-I219 VanDerWaalsContact C-N 3.3Å; H217-I219 PolarHBondContact O-N 3Å; H217-V220 PolarHBondContact O-N 3.47Å; H217-D221 CarbonylContact O-C 3.51Å; H217-D221 PolarHBondContact O-N 2.89Å; H217-A225 HydrophobicContact CB-CB 4.1Å
218F84.9Confident87.3Confident6 Ų633.5 Ų33.53%0.02617%0.174CC..Hα-helixtrans-65.4-33.8-176.6-169.6-163.1000113A214 L215 C216 V220 E222 A225 L251 L252 H255 Y263 I287A214-F218 WeakPolarHBondContact O-CB 3.5Å; A214-F218 PolarHBondContact O-N 3.29Å; L215-F218 PolarHBondContact O-N 2.91Å; C216-F218 VanDerWaalsContact C-N 3.27Å; C216-F218 PolarHBondContact O-N 2.91Å; F218-V220 VanDerWaalsContact C-N 3.28Å; F218-V220 PolarHBondContact O-N 2.84Å; F218-E222 HydrophobicContact CD2-CB 4.47Å; F218-E222 HydrophobicContact CE2-CB 4.36Å; F218-E222 HydrophobicContact CE2-CG 4.15Å; F218-A225 HydrophobicContact CB-CB 3.76Å; F218-A225 HydrophobicContact CD2-CB 4.29Å; F218-A225 HydrophobicContact CG-CB 4.27Å; F218-L251 HydrophobicContact CE1-CB 4.03Å; F218-L252 HydrophobicContact CD2-CD2 3.85Å; F218-L252 HydrophobicContact CE1-CD2 4.43Å; F218-L252 HydrophobicContact CE2-CD2 3.7Å; F218-L252 HydrophobicContact CG-CD2 4.29Å; F218-L252 HydrophobicContact CZ-CD2 3.99Å; F218-H255 HydrophobicContact CE2-CB 3.87Å; F218-H255 AromaticContact CE2-CD2 3.53Å; F218-H255 AromaticContact CE2-CG 3.55Å; F218-H255 AromaticContact CE2-ND1 3.98Å; F218-H255 HydrophobicContact CZ-CB 3.48Å; F218-H255 VanDerWaalsContact CZ-CB 3.48Å; F218-H255 AromaticContact CZ-CD2 3.59Å; F218-H255 AromaticContact CZ-CG 3.61Å; F218-Y263 HydrophobicContact CE1-CE2 4.45Å; F218-I287 HydrophobicContact CB-CD1 4.36Å; F218-I287 HydrophobicContact CD1-CD1 3.63Å; F218-I287 HydrophobicContact CD1-CG1 4.1Å; F218-I287 HydrophobicContact CD1-CG2 3.68Å; F218-I287 HydrophobicContact CE1-CD1 4.32Å; F218-I287 HydrophobicContact CE1-CG2 3.35Å; F218-I287 HydrophobicContact CE2-CG2 4.44Å; F218-I287 HydrophobicContact CG-CD1 4.27Å; F218-I287 HydrophobicContact CG-CG1 4.48Å; F218-I287 HydrophobicContact CG-CG2 4.35Å; F218-I287 HydrophobicContact CZ-CG2 3.79Å
219I85.1Confident87.3Confident40 Ų4031 Ų3121%0.20516%0.16CC..Hα-helixtrans-66.8-33173.2-63.2164.3000111.4Y182 L215 C216 H217 M283 I287Y182-I219 HydrophobicContact CD1-CB 4.45Å; Y182-I219 HydrophobicContact CD1-CD1 4.08Å; Y182-I219 HydrophobicContact CD1-CG2 4.42Å; Y182-I219 HydrophobicContact CD2-CG2 3.97Å; Y182-I219 HydrophobicContact CE1-CB 4.3Å; Y182-I219 HydrophobicContact CE1-CD1 3.52Å; Y182-I219 HydrophobicContact CE1-CG1 4.5Å; Y182-I219 HydrophobicContact CE1-CG2 3.99Å; Y182-I219 HydrophobicContact CE2-CB 4.43Å; Y182-I219 HydrophobicContact CE2-CG2 3.47Å; Y182-I219 VanDerWaalsContact CE2-CG2 3.47Å; Y182-I219 HydrophobicContact CG-CG2 4.41Å; Y182-I219 VanDerWaalsContact CZ-CG2 3.47Å; L215-I219 WeakPolarHBondContact O-CG1 3.43Å; L215-I219 PolarHBondContact O-N 3.45Å; C216-I219 PolarHBondContact O-N 3.39Å; H217-I219 VanDerWaalsContact C-N 3.3Å; H217-I219 PolarHBondContact O-N 3Å; I219-M283 HydrophobicContact CD1-CB 4.26Å; I219-M283 HydrophobicContact CD1-CG 4.5Å; I219-M283 HydrophobicContact CD1-SD 3.66Å; I219-I287 HydrophobicContact CD1-CG1 4.33Å; I219-I287 HydrophobicContact CG1-CD1 4.03Å; I219-I287 HydrophobicContact CG1-CG1 3.46Å; I219-I287 VanDerWaalsContact CG1-CG1 3.46Å
220V83.9Confident87.3Confident74 Ų7435 Ų3545%0.44818%0.18SC..Hα-helixtrans-79-53179.91780000111.1Y182 C216 H217 F218Y182-V220 HydrophobicContact CD2-CG2 4.25Å; Y182-V220 HydrophobicContact CG-CG2 4.21Å; C216-V220 WeakPolarHBondContact O-CG2 3.19Å; C216-V220 PolarHBondContact O-N 3.46Å; H217-V220 PolarHBondContact O-N 3.47Å; F218-V220 VanDerWaalsContact C-N 3.28Å; F218-V220 PolarHBondContact O-N 2.84Å
221D83.1Confident87.2Confident69 Ų6939.1 Ų39.137%0.36920%0.198SC..  trans-161.1131-178.1-177.64.5000110.7H217 L223 N224 A225H217-D221 CarbonylContact O-C 3.51Å; H217-D221 PolarHBondContact O-N 2.89Å; D221-L223 VanDerWaalsContact C-N 3.31Å; D221-L223 PolarHBondContact O-N 3.47Å; D221-L223 PolarHBondContact OD1-N 3.34Å; D221-N224 HydrophobicContact CB-CB 4.13Å; D221-N224 WeakPolarHBondContact CB-ND2 3.42Å; D221-N224 PolarHBondContact O-N 2.57Å; D221-N224 PolarHBondContact OD2-ND2 3.47Å; D221-A225 PolarHBondContact O-N 3.09Å; D221-A225 VanDerWaalsContact O-N 3.12Å
222E80.1Confident87Confident45 Ų4539 Ų3921%0.2120%0.197CC..Hα-helixtrans-58.1-41175.6-174.1-161123.900112.2F218 N224 A225 K226 L252 H255 E256F218-E222 HydrophobicContact CD2-CB 4.47Å; F218-E222 HydrophobicContact CE2-CB 4.36Å; F218-E222 HydrophobicContact CE2-CG 4.15Å; E222-N224 VanDerWaalsContact C-N 3.32Å; E222-N224 PolarHBondContact O-N 3.36Å; E222-A225 WeakPolarHBondContact O-CB 3.5Å; E222-A225 PolarHBondContact O-N 3.09Å; E222-K226 PolarHBondContact O-N 3.35Å; E222-K226 VanDerWaalsContact O-N 3.08Å; E222-K226 VanDerWaalsContact OE1-CE 3.23Å; E222-K226 WeakPolarHBondContact OE1-CE 3.46Å; E222-K226 IonicContact OE1-NZ 3.43Å; E222-K226 PolarHBondContact OE1-NZ 3.11Å; E222-L252 HydrophobicContact CG-CD2 4.03Å; E222-H255 IonicContact OE2-CE1 2.75Å; E222-H255 PolarHBondContact OE2-CE1 3.08Å; E222-H255 IonicContact OE2-CG 2.73Å; E222-H255 IonicContact OE2-ND1 2.79Å; E222-H255 PolarHBondContact OE2-ND1 3.46Å; E222-E256 WeakPolarHBondContact OE1-CG 3.36Å
223L83.4Confident86.8Confident106 Ų10640 Ų4056%0.55520%0.202SC*.Hα-helixtrans-63.9-42.5-178.8-169.183.5000110.6D221 A225 K226 L227D221-L223 VanDerWaalsContact C-N 3.31Å; D221-L223 PolarHBondContact O-N 3.47Å; D221-L223 PolarHBondContact OD1-N 3.34Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 3.1Å; L223-K226 PolarHBondContact O-N 3.47Å; L223-L227 HydrophobicContact CG-CD1 4.4Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.24Å
224N84.8Confident86.5Confident65 Ų6548 Ų4835%0.34824%0.239SC..Hα-helixtrans-64.7-35.8177.1-72.6-33.1000111.7D221 E222 A228D221-N224 HydrophobicContact CB-CB 4.13Å; D221-N224 WeakPolarHBondContact CB-ND2 3.42Å; D221-N224 PolarHBondContact O-N 2.57Å; D221-N224 PolarHBondContact OD2-ND2 3.47Å; E222-N224 VanDerWaalsContact C-N 3.32Å; E222-N224 PolarHBondContact O-N 3.36Å; N224-A228 WeakPolarHBondContact O-CB 3.38Å; N224-A228 PolarHBondContact O-N 3.03Å
225A85.9Confident86.1Confident3 Ų352 Ų523%0.02526%0.259CS..Hα-helixtrans-65.3-40.5175.500000112.5H217 F218 D221 E222 L223 A228 L229 L252H217-A225 HydrophobicContact CB-CB 4.1Å; F218-A225 HydrophobicContact CB-CB 3.76Å; F218-A225 HydrophobicContact CD2-CB 4.29Å; F218-A225 HydrophobicContact CG-CB 4.27Å; D221-A225 PolarHBondContact O-N 3.09Å; D221-A225 VanDerWaalsContact O-N 3.12Å; E222-A225 WeakPolarHBondContact O-CB 3.5Å; E222-A225 PolarHBondContact O-N 3.09Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 3.1Å; A225-A228 PolarHBondContact O-N 3.21Å; A225-L229 WeakPolarHBondContact O-CB 3.48Å; A225-L229 PolarHBondContact O-N 3.15Å; A225-L252 HydrophobicContact CB-CD2 3.91Å
226K86.4Confident85.5Confident54 Ų5452.6 Ų52.624%0.23526%0.261CS..Hα-helixtrans-63-49174.7-71173.8-178.3174.50112E222 L223 A228 L229 E230 L252 E256E222-K226 PolarHBondContact O-N 3.35Å; E222-K226 VanDerWaalsContact O-N 3.08Å; E222-K226 VanDerWaalsContact OE1-CE 3.23Å; E222-K226 WeakPolarHBondContact OE1-CE 3.46Å; E222-K226 IonicContact OE1-NZ 3.43Å; E222-K226 PolarHBondContact OE1-NZ 3.11Å; L223-K226 PolarHBondContact O-N 3.47Å; K226-A228 VanDerWaalsContact C-N 3.33Å; K226-A228 PolarHBondContact O-N 3.46Å; K226-L229 WeakPolarHBondContact O-CB 3.2Å; K226-L229 PolarHBondContact O-N 3.33Å; K226-L229 VanDerWaalsContact O-N 3.15Å; K226-E230 PolarHBondContact O-N 3.03Å; K226-L252 HydrophobicContact CG-CD1 4.06Å; K226-L252 HydrophobicContact CG-CD2 4.26Å; K226-E256 WeakPolarHBondContact CE-OE1 3.3Å; K226-E256 IonicContact NZ-OE1 3.62Å; K226-E256 PolarHBondContact NZ-OE1 3.31Å; K226-E256 IonicContact NZ-OE2 2.82Å; K226-E256 PolarHBondContact NZ-OE2 3.32Å
227L89.4Confident85Confident94 Ų9456.9 Ų56.949%0.49229%0.289SS..Hα-helixtrans-61.5-42.1178.2-68.6172.8000111.7L223 L229 E230 K231L223-L227 HydrophobicContact CG-CD1 4.4Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.24Å; L227-L229 VanDerWaalsContact C-N 3.33Å; L227-E230 PolarHBondContact O-N 3.22Å; L227-K231 WeakPolarHBondContact O-CB 3.45Å; L227-K231 PolarHBondContact O-N 3.01Å
228A88.3Confident84.5Confident6 Ų657.6 Ų57.65%0.0530%0.3CS..Hα-helixtrans-63.2-41.1175.100000111.3N224 A225 K226 K231 Y232N224-A228 WeakPolarHBondContact O-CB 3.38Å; N224-A228 PolarHBondContact O-N 3.03Å; A225-A228 PolarHBondContact O-N 3.21Å; K226-A228 VanDerWaalsContact C-N 3.33Å; K226-A228 PolarHBondContact O-N 3.46Å; A228-K231 PolarHBondContact O-N 3.43Å; A228-Y232 HydrophobicContact CB-CE2 3.87Å; A228-Y232 WeakPolarHBondContact O-CB 3.45Å; A228-Y232 WeakPolarHBondContact O-CD1 3.35Å; A228-Y232 WeakPolarHBondContact O-CD2 3.3Å; A228-Y232 PolarHBondContact O-N 3.43Å
229L87.3Confident84.3Confident10 Ų1057.3 Ų57.35%0.05230%0.298CS..Hα-helixtrans-61.4-49.7177.4-163.979.5000111.6A225 K226 L227 K231 Y232 E233 F239 L248 K249 L252A225-L229 WeakPolarHBondContact O-CB 3.48Å; A225-L229 PolarHBondContact O-N 3.15Å; K226-L229 WeakPolarHBondContact O-CB 3.2Å; K226-L229 PolarHBondContact O-N 3.33Å; K226-L229 VanDerWaalsContact O-N 3.15Å; L227-L229 VanDerWaalsContact C-N 3.33Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.31Å; L229-Y232 PolarHBondContact O-N 3.02Å; L229-Y232 VanDerWaalsContact O-N 3.13Å; L229-E233 WeakPolarHBondContact O-CG 3.3Å; L229-E233 PolarHBondContact O-N 3.02Å; L229-F239 HydrophobicContact CD1-CE1 3.9Å; L229-L248 HydrophobicContact CD1-CB 3.9Å; L229-L248 HydrophobicContact CD1-CD1 3.57Å; L229-L248 HydrophobicContact CD1-CG 4.41Å; L229-K249 HydrophobicContact CD2-CD 4.29Å; L229-K249 HydrophobicContact CD2-CG 3.53Å; L229-L252 HydrophobicContact CD2-CD1 4.18Å
230E88.1Confident84Confident115 Ų11557.8 Ų57.854%0.53730%0.303SS..Hα-helixtrans-56.9-46.9176.9-71.5178.5176.700111.3K226 L227 Y232 E233 E234K226-E230 PolarHBondContact O-N 3.03Å; L227-E230 PolarHBondContact O-N 3.22Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 PolarHBondContact O-N 3.32Å; E230-E233 PolarHBondContact O-N 3.32Å; E230-E234 WeakPolarHBondContact O-CG 3.39Å; E230-E234 PolarHBondContact O-N 3.4Å
231K88.3Confident83.9Confident89 Ų8960.1 Ų60.139%0.38731%0.313SS..Hα-helixtrans-57.3-44.7174.9178.4-173.1172.1-162.60112E190 L227 A228 L229 E233 E234 M235E190-K231 IonicContact OE1-NZ 2.63Å; E190-K231 PolarHBondContact OE1-NZ 3.3Å; E190-K231 IonicContact OE2-NZ 4Å; L227-K231 WeakPolarHBondContact O-CB 3.45Å; L227-K231 PolarHBondContact O-N 3.01Å; A228-K231 PolarHBondContact O-N 3.43Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.31Å; K231-E233 VanDerWaalsContact C-N 3.34Å; K231-E234 PolarHBondContact O-N 3.49Å; K231-M235 HydrophobicContact CD-SD 4.35Å; K231-M235 HydrophobicContact CG-CG 4.49Å; K231-M235 HydrophobicContact CG-SD 3.72Å; K231-M235 WeakPolarHBondContact O-CB 3.5Å; K231-M235 WeakPolarHBondContact O-CG 3.3Å; K231-M235 PolarHBondContact O-N 3.03Å
232Y85.9Confident83.9Confident1 Ų157.2 Ų57.20%0.00430%0.298CS..Hα-helixtrans-68.7-32.5179.6-58.6-26.5000112.5E190 F210 A213 A214 A228 L229 E230 F236E190-Y232 HydrophobicContact CG-CE1 4.23Å; E190-Y232 VanDerWaalsContact CG-OH 3.3Å; E190-Y232 WeakPolarHBondContact CG-OH 3.35Å; E190-Y232 WeakPolarHBondContact OE1-CE1 3.49Å; E190-Y232 PolarHBondContact OE1-OH 3.33Å; E190-Y232 VanDerWaalsContact OE1-OH 3.1Å; F210-Y232 HydrophobicContact CB-CD2 3.95Å; F210-Y232 HydrophobicContact CB-CE2 4.31Å; F210-Y232 HydrophobicContact CB-CG 4.13Å; F210-Y232 AromaticContact CD1-CD1 3.41Å; F210-Y232 HydrophobicContact CD1-CD1 3.41Å; F210-Y232 VanDerWaalsContact CD1-CD1 3.41Å; F210-Y232 HydrophobicContact CD1-CD2 4.13Å; F210-Y232 AromaticContact CD1-CE1 3.49Å; F210-Y232 HydrophobicContact CD1-CE1 3.49Å; F210-Y232 VanDerWaalsContact CD1-CE1 3.49Å; F210-Y232 HydrophobicContact CD1-CE2 4.2Å; F210-Y232 AromaticContact CD1-CG 3.76Å; F210-Y232 HydrophobicContact CD1-CG 3.76Å; F210-Y232 AromaticContact CD1-CZ 3.9Å; F210-Y232 AromaticContact CE1-CD1 3.76Å; F210-Y232 HydrophobicContact CE1-CD1 3.76Å; F210-Y232 AromaticContact CE1-CE1 3.84Å; F210-Y232 HydrophobicContact CE1-CE1 3.84Å; F210-Y232 HydrophobicContact CE1-CG 4.48Å; F210-Y232 HydrophobicContact CG-CD1 4.18Å; F210-Y232 HydrophobicContact CG-CD2 4.36Å; F210-Y232 HydrophobicContact CG-CG 4.1Å; A213-Y232 HydrophobicContact CB-CE2 4.38Å; A213-Y232 WeakPolarHBondContact CB-OH 3.47Å; A214-Y232 HydrophobicContact CB-CE2 4.13Å; A228-Y232 HydrophobicContact CB-CE2 3.87Å; A228-Y232 WeakPolarHBondContact O-CB 3.45Å; A228-Y232 WeakPolarHBondContact O-CD1 3.35Å; A228-Y232 WeakPolarHBondContact O-CD2 3.3Å; A228-Y232 PolarHBondContact O-N 3.43Å; L229-Y232 PolarHBondContact O-N 3.02Å; L229-Y232 VanDerWaalsContact O-N 3.13Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 PolarHBondContact O-N 3.32Å; Y232-F236 PolarHBondContact O-N 2.95Å
233E85.4Confident84.1Confident37 Ų3761.8 Ų61.817%0.17331%0.313CS..Hα-helixtrans-68.5-41.3173.9-68.8-166.4137.900112.3L229 E230 K231 F236 F239 C245 K249L229-E233 WeakPolarHBondContact O-CG 3.3Å; L229-E233 PolarHBondContact O-N 3.02Å; E230-E233 PolarHBondContact O-N 3.32Å; K231-E233 VanDerWaalsContact C-N 3.34Å; E233-F236 CarbonylContact O-C 3.45Å; E233-F239 HydrophobicContact CG-CD1 4.47Å; E233-C245 PolarHBondContact OE1-SG 3.49Å; E233-K249 WeakPolarHBondContact OE1-CE 3.37Å; E233-K249 IonicContact OE1-NZ 3.41Å; E233-K249 PolarHBondContact OE1-NZ 3.29Å; E233-K249 IonicContact OE2-NZ 2.72Å; E233-K249 PolarHBondContact OE2-NZ 3Å
234E85.9Confident84.3Confident167 Ų16758.9 Ų58.978%0.7830%0.297SS*.Hα-helixtrans-65.5-44.1174.6-71.6-174.1171.600111.9E230 K231E230-E234 WeakPolarHBondContact O-CG 3.39Å; E230-E234 PolarHBondContact O-N 3.4Å; K231-E234 PolarHBondContact O-N 3.49Å
235M81.4Confident84.3Confident87 Ų8755.8 Ų55.843%0.42928%0.28SS..Hα-helixtrans-70.4-34.6-179.7-71.2176.662.500112.3M197 K231M197-M235 HydrophobicContact CE-CE 3.58Å; K231-M235 HydrophobicContact CD-SD 4.35Å; K231-M235 HydrophobicContact CG-CG 4.49Å; K231-M235 HydrophobicContact CG-SD 3.72Å; K231-M235 WeakPolarHBondContact O-CB 3.5Å; K231-M235 WeakPolarHBondContact O-CG 3.3Å; K231-M235 PolarHBondContact O-N 3.03Å
236F77.8Confident84.4Confident12 Ų1261.2 Ų61.25%0.05330%0.304CS..  trans-139.189.7-175.3-164-103.5000112.3M197 K203 K207 Y232 E233 A238 F239M197-F236 HydrophobicContact SD-CB 4.31Å; M197-F236 HydrophobicContact SD-CD2 4.09Å; K203-F236 HydrophobicContact CD-CE2 3.97Å; K203-F236 HydrophobicContact CD-CZ 4.28Å; K203-F236 HydrophobicContact CG-CE2 3.47Å; K203-F236 VanDerWaalsContact CG-CE2 3.47Å; K203-F236 HydrophobicContact CG-CZ 3.68Å; K207-F236 HydrophobicContact CD-CE1 4.43Å; K207-F236 HydrophobicContact CG-CE1 3.93Å; Y232-F236 PolarHBondContact O-N 2.95Å; E233-F236 CarbonylContact O-C 3.45Å; F236-A238 HydrophobicContact CD1-CB 4Å; F236-A238 HydrophobicContact CE1-CB 3.46Å; F236-A238 VanDerWaalsContact CE1-CB 3.46Å; F236-A238 HydrophobicContact CZ-CB 3.85Å; F236-A238 PolarHBondContact O-N 3.46Å; F236-F239 HydrophobicContact CB-CB 4.28Å; F236-F239 HydrophobicContact CD1-CB 3.71Å; F236-F239 HydrophobicContact CG-CB 4.48Å; F236-F239 WeakPolarHBondContact O-CA 3.38Å; F236-F239 WeakPolarHBondContact O-CB 3.43Å; F236-F239 PolarHBondContact O-N 2.75Å
237P80.9Confident84.6Confident90 Ų9059 Ų5958%0.58429%0.294SS*.Hα-helixtrans-58.3-26.5-179.3-28.835.7000114.6F239 T240P237-F239 PolarHBondContact O-N 3.48Å; P237-T240 WeakPolarHBondContact O-CB 3.44Å; P237-T240 PolarHBondContact O-N 2.92Å; P237-T240 PolarHBondContact O-OG1 3.18Å
238A79.1Confident84.6Confident40 Ų4054.7 Ų54.733%0.33127%0.271SS..Hα-helixtrans-75.9-3.5175.400000113.9K207 F236K207-A238 PolarHBondContact NZ-O 3.38Å; K207-A238 VanDerWaalsContact NZ-O 3.11Å; F236-A238 HydrophobicContact CD1-CB 4Å; F236-A238 HydrophobicContact CE1-CB 3.46Å; F236-A238 VanDerWaalsContact CE1-CB 3.46Å; F236-A238 HydrophobicContact CZ-CB 3.85Å; F236-A238 PolarHBondContact O-N 3.46Å
239F79.3Confident84.6Confident0 Ų058 Ų580%029%0.285CS..Hα-helixtrans-79.7-39.1169.7-170.4-123000109.4K207 F210 L229 E233 F236 P237 D241 S242 E244 C245 L248K207-F239 HydrophobicContact CB-CD2 4.19Å; K207-F239 HydrophobicContact CB-CE2 4.48Å; K207-F239 HydrophobicContact CG-CD2 4.44Å; F210-F239 HydrophobicContact CB-CE2 4.19Å; F210-F239 HydrophobicContact CB-CZ 4.24Å; L229-F239 HydrophobicContact CD1-CE1 3.9Å; E233-F239 HydrophobicContact CG-CD1 4.47Å; F236-F239 HydrophobicContact CB-CB 4.28Å; F236-F239 HydrophobicContact CD1-CB 3.71Å; F236-F239 HydrophobicContact CG-CB 4.48Å; F236-F239 WeakPolarHBondContact O-CA 3.38Å; F236-F239 WeakPolarHBondContact O-CB 3.43Å; F236-F239 PolarHBondContact O-N 2.75Å; P237-F239 PolarHBondContact O-N 3.48Å; F239-D241 VanDerWaalsContact C-N 3.25Å; F239-D241 PolarHBondContact O-N 3.41Å; F239-S242 WeakPolarHBondContact O-CA 3.47Å; F239-S242 WeakPolarHBondContact O-CB 3.19Å; F239-S242 PolarHBondContact O-N 2.89Å; F239-S242 PolarHBondContact O-OG 3.09Å; F239-E244 HydrophobicContact CE2-CB 4.27Å; F239-C245 HydrophobicContact CD1-CB 3.79Å; F239-C245 HydrophobicContact CD2-CB 4.47Å; F239-C245 HydrophobicContact CE1-CB 3.69Å; F239-C245 HydrophobicContact CE2-CB 4.38Å; F239-C245 HydrophobicContact CG-CB 4.18Å; F239-C245 HydrophobicContact CZ-CB 3.99Å; F239-C245 WeakPolarHBondContact O-CB 3.47Å; F239-L248 HydrophobicContact CZ-CD1 4.12Å
240T79.6Confident84.8Confident50 Ų5062 Ų6231%0.30730%0.302SS..Hα-helixtrans-55.9-41.1-179.4-50.80000112P237 S242P237-T240 WeakPolarHBondContact O-CB 3.44Å; P237-T240 PolarHBondContact O-N 2.92Å; P237-T240 PolarHBondContact O-OG1 3.18Å; T240-S242 VanDerWaalsContact C-N 3.28Å; T240-S242 PolarHBondContact O-N 3.22Å
241D81.5Confident84.8Confident123 Ų12356.6 Ų56.666%0.65828%0.276SS*.THydrogen-bonded Turntrans-80.7-7.6177.7-70-39.2000114.2F239 K246F239-D241 VanDerWaalsContact C-N 3.25Å; F239-D241 PolarHBondContact O-N 3.41Å; D241-K246 PolarHBondContact O-NZ 3.28Å
242S83.7Confident84.8Confident7 Ų752.8 Ų52.85%0.04926%0.26CS..SBendtrans-69.4156.5-178.381.10000112F239 T240 E244 C245 K246F239-S242 WeakPolarHBondContact O-CA 3.47Å; F239-S242 WeakPolarHBondContact O-CB 3.19Å; F239-S242 PolarHBondContact O-N 2.89Å; F239-S242 PolarHBondContact O-OG 3.09Å; T240-S242 VanDerWaalsContact C-N 3.28Å; T240-S242 PolarHBondContact O-N 3.22Å; S242-E244 VanDerWaalsContact C-N 3.27Å; S242-E244 VanDerWaalsContact CB-OE2 3.26Å; S242-E244 WeakPolarHBondContact CB-OE2 3.37Å; S242-E244 PolarHBondContact OG-OE2 3.19Å; S242-C245 WeakPolarHBondContact OG-CB 3.04Å; S242-C245 PolarHBondContact OG-N 2.82Å; S242-C245 VanDerWaalsContact OG-N 3.12Å; S242-K246 WeakPolarHBondContact O-CG 3.39Å; S242-K246 PolarHBondContact O-N 3.45Å
243R84.4Confident84.9Confident141 Ų14158 Ų5853%0.53229%0.285SS..Hα-helixtrans-73-32.6180-57.3176.7-157.21673.9110K246 L247 F270 S274R243-K246 PolarHBondContact O-N 3.27Å; R243-L247 WeakPolarHBondContact O-CB 3.4Å; R243-L247 PolarHBondContact O-N 3.01Å; R243-F270 HydrophobicContact CB-CE2 3.98Å; R243-S274 PolarHBondContact NH1-OG 3.39Å
244E86.3Confident85Confident45 Ų4556.4 Ų56.421%0.2128%0.278CS..Hα-helixtrans-62.1-48.1178.8-63.178.8-174.600110.8F211 F239 S242 L247 L248F211-E244 HydrophobicContact CB-CB 3.91Å; F211-E244 HydrophobicContact CB-CG 4.24Å; F211-E244 HydrophobicContact CD1-CB 4.34Å; F211-E244 HydrophobicContact CD1-CG 4.15Å; F211-E244 HydrophobicContact CD2-CB 3.71Å; F211-E244 HydrophobicContact CD2-CG 4.39Å; F211-E244 HydrophobicContact CE2-CB 4.33Å; F211-E244 HydrophobicContact CG-CB 3.74Å; F211-E244 HydrophobicContact CG-CG 4.02Å; F239-E244 HydrophobicContact CE2-CB 4.27Å; S242-E244 VanDerWaalsContact C-N 3.27Å; S242-E244 VanDerWaalsContact CB-OE2 3.26Å; S242-E244 WeakPolarHBondContact CB-OE2 3.37Å; S242-E244 PolarHBondContact OG-OE2 3.19Å; E244-L247 PolarHBondContact O-N 2.82Å; E244-L248 WeakPolarHBondContact O-CG 3.29Å; E244-L248 PolarHBondContact O-N 3.46Å
245C85.7Confident85Confident0 Ų050.2 Ų50.20%025%0.249CC..Hα-helixtrans-65.6-44.1175.3-172.80000112.1E233 F239 S242 L247 L248 K249E233-C245 PolarHBondContact OE1-SG 3.49Å; F239-C245 HydrophobicContact CD1-CB 3.79Å; F239-C245 HydrophobicContact CD2-CB 4.47Å; F239-C245 HydrophobicContact CE1-CB 3.69Å; F239-C245 HydrophobicContact CE2-CB 4.38Å; F239-C245 HydrophobicContact CG-CB 4.18Å; F239-C245 HydrophobicContact CZ-CB 3.99Å; F239-C245 WeakPolarHBondContact O-CB 3.47Å; S242-C245 WeakPolarHBondContact OG-CB 3.04Å; S242-C245 PolarHBondContact OG-N 2.82Å; S242-C245 VanDerWaalsContact OG-N 3.12Å; C245-L247 VanDerWaalsContact C-N 3.28Å; C245-L247 PolarHBondContact O-N 2.95Å; C245-L248 PolarHBondContact O-N 2.97Å; C245-L248 VanDerWaalsContact O-N 3.15Å; C245-K249 PolarHBondContact O-N 3.44Å
246K88.4Confident85.2Confident118 Ų11851 Ų5151%0.51325%0.252SS..Hα-helixtrans-60-39176.8-71.9173.2-177.2169.50112.3D241 S242 R243 K250D241-K246 PolarHBondContact O-NZ 3.28Å; S242-K246 WeakPolarHBondContact O-CG 3.39Å; S242-K246 PolarHBondContact O-N 3.45Å; R243-K246 PolarHBondContact O-N 3.27Å; K246-K250 WeakPolarHBondContact O-CG 3.39Å; K246-K250 PolarHBondContact O-N 2.86Å
247L89.5Confident85.6Confident6 Ų657.1 Ų57.13%0.03128%0.28CS..Hα-helixtrans-63.2-52.1172.7178.165.7000110.3F211 R243 E244 C245 K249 K250 L251 A266 F270F211-L247 HydrophobicContact CE2-CD2 4.16Å; F211-L247 HydrophobicContact CZ-CD2 3.86Å; R243-L247 WeakPolarHBondContact O-CB 3.4Å; R243-L247 PolarHBondContact O-N 3.01Å; E244-L247 PolarHBondContact O-N 2.82Å; C245-L247 VanDerWaalsContact C-N 3.28Å; C245-L247 PolarHBondContact O-N 2.95Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.37Å; L247-K250 WeakPolarHBondContact O-CB 3.34Å; L247-K250 PolarHBondContact O-N 3.39Å; L247-K250 VanDerWaalsContact O-N 3.09Å; L247-L251 HydrophobicContact CD1-CD1 4.11Å; L247-L251 HydrophobicContact CD1-CD2 3.95Å; L247-L251 HydrophobicContact CD1-CG 3.89Å; L247-L251 HydrophobicContact CD2-CD1 4.22Å; L247-L251 HydrophobicContact CG-CD1 3.8Å; L247-L251 HydrophobicContact CG-CG 3.99Å; L247-L251 VanDerWaalsContact O-CG 3.3Å; L247-L251 WeakPolarHBondContact O-CG 3.34Å; L247-L251 PolarHBondContact O-N 3.17Å; L247-A266 HydrophobicContact CD1-CB 4.23Å; L247-F270 HydrophobicContact CB-CD2 3.93Å; L247-F270 HydrophobicContact CB-CE2 4.27Å; L247-F270 HydrophobicContact CD1-CB 3.97Å; L247-F270 HydrophobicContact CD1-CG 4.4Å; L247-F270 HydrophobicContact CD2-CB 3.99Å; L247-F270 HydrophobicContact CD2-CD1 3.87Å; L247-F270 HydrophobicContact CD2-CD2 3.68Å; L247-F270 HydrophobicContact CD2-CE1 4.19Å; L247-F270 HydrophobicContact CD2-CE2 4.02Å; L247-F270 HydrophobicContact CD2-CG 3.59Å; L247-F270 HydrophobicContact CD2-CZ 4.26Å; L247-F270 HydrophobicContact CG-CB 4.48Å; L247-F270 HydrophobicContact CG-CD2 4.24Å; L247-F270 HydrophobicContact CG-CG 4.39Å
248L89.3Confident85.8Confident4 Ų460.1 Ų60.12%0.02129%0.287CS..Hα-helixtrans-53.8-44.1180-74.1170.6000112.6F211 A214 L215 L229 F239 E244 C245 L251 L252F211-L248 HydrophobicContact CD2-CD1 3.66Å; F211-L248 HydrophobicContact CD2-CD2 4Å; F211-L248 HydrophobicContact CD2-CG 3.64Å; F211-L248 HydrophobicContact CE2-CD1 4.26Å; F211-L248 HydrophobicContact CE2-CD2 3.85Å; F211-L248 HydrophobicContact CE2-CG 3.71Å; A214-L248 HydrophobicContact CB-CD1 3.45Å; A214-L248 VanDerWaalsContact CB-CD1 3.45Å; A214-L248 HydrophobicContact CB-CD2 4.1Å; A214-L248 HydrophobicContact CB-CG 4.44Å; L215-L248 HydrophobicContact CD2-CD2 3.76Å; L215-L248 HydrophobicContact CG-CD2 4.1Å; L229-L248 HydrophobicContact CD1-CB 3.9Å; L229-L248 HydrophobicContact CD1-CD1 3.57Å; L229-L248 HydrophobicContact CD1-CG 4.41Å; F239-L248 HydrophobicContact CZ-CD1 4.12Å; E244-L248 WeakPolarHBondContact O-CG 3.29Å; E244-L248 PolarHBondContact O-N 3.46Å; C245-L248 PolarHBondContact O-N 2.97Å; C245-L248 VanDerWaalsContact O-N 3.15Å; L248-L251 PolarHBondContact O-N 2.96Å; L248-L252 WeakPolarHBondContact O-CB 3.17Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.5Å; L248-L252 PolarHBondContact O-N 3.26Å
249K89.8Confident86.2Confident75 Ų7561 Ų6133%0.32629%0.286SS..Hα-helixtrans-59.1-49.4176-68.8-172.6177.9-171.80112L229 E233 C245 L247 L251 L252 E253L229-K249 HydrophobicContact CD2-CD 4.29Å; L229-K249 HydrophobicContact CD2-CG 3.53Å; E233-K249 WeakPolarHBondContact OE1-CE 3.37Å; E233-K249 IonicContact OE1-NZ 3.41Å; E233-K249 PolarHBondContact OE1-NZ 3.29Å; E233-K249 IonicContact OE2-NZ 2.72Å; E233-K249 PolarHBondContact OE2-NZ 3Å; C245-K249 PolarHBondContact O-N 3.44Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.37Å; K249-L251 VanDerWaalsContact C-N 3.3Å; K249-L251 PolarHBondContact O-N 2.66Å; K249-L252 PolarHBondContact O-N 3.25Å; K249-E253 WeakPolarHBondContact O-CG 3.47Å; K249-E253 PolarHBondContact O-N 3.29Å
250K90.4Very high86.5Confident96 Ų9662.8 Ų62.842%0.41730%0.298SS..Hα-helixtrans-59.8-39175.7-73.6-173.2174.8-162.40112.6K246 L247 A254 A266 E269K246-K250 WeakPolarHBondContact O-CG 3.39Å; K246-K250 PolarHBondContact O-N 2.86Å; L247-K250 WeakPolarHBondContact O-CB 3.34Å; L247-K250 PolarHBondContact O-N 3.39Å; L247-K250 VanDerWaalsContact O-N 3.09Å; K250-A254 WeakPolarHBondContact O-CB 3.48Å; K250-A254 PolarHBondContact O-N 2.84Å; K250-A266 HydrophobicContact CB-CB 4.15Å; K250-A266 HydrophobicContact CD-CB 4.27Å; K250-E269 IonicContact NZ-OE2 3.96Å; K250-E269 PolarHBondContact NZ-OE2 3.42Å
251L88.8Confident87Confident0 Ų067.8 Ų67.80%032%0.318CS..Hα-helixtrans-70.3-37.5179.4-62.2179.6000111.9F218 L247 L248 K249 H255 Y263 A266 V267 L284F218-L251 HydrophobicContact CE1-CB 4.03Å; L247-L251 HydrophobicContact CD1-CD1 4.11Å; L247-L251 HydrophobicContact CD1-CD2 3.95Å; L247-L251 HydrophobicContact CD1-CG 3.89Å; L247-L251 HydrophobicContact CD2-CD1 4.22Å; L247-L251 HydrophobicContact CG-CD1 3.8Å; L247-L251 HydrophobicContact CG-CG 3.99Å; L247-L251 VanDerWaalsContact O-CG 3.3Å; L247-L251 WeakPolarHBondContact O-CG 3.34Å; L247-L251 PolarHBondContact O-N 3.17Å; L248-L251 PolarHBondContact O-N 2.96Å; K249-L251 VanDerWaalsContact C-N 3.3Å; K249-L251 PolarHBondContact O-N 2.66Å; L251-H255 WeakPolarHBondContact O-CB 3.22Å; L251-H255 PolarHBondContact O-N 3.22Å; L251-Y263 HydrophobicContact CB-CD2 4.2Å; L251-Y263 HydrophobicContact CB-CE2 3.95Å; L251-Y263 HydrophobicContact CD1-CE2 4.23Å; L251-Y263 HydrophobicContact CD2-CD2 3.55Å; L251-Y263 HydrophobicContact CD2-CE2 3.49Å; L251-Y263 VanDerWaalsContact CD2-CE2 3.49Å; L251-Y263 HydrophobicContact CD2-CG 4.11Å; L251-Y263 HydrophobicContact CG-CD2 4.39Å; L251-Y263 HydrophobicContact CG-CE2 4.05Å; L251-A266 HydrophobicContact CD2-CB 4.08Å; L251-V267 HydrophobicContact CD2-CG2 3.76Å; L251-L284 HydrophobicContact CD1-CD2 3.57Å
252L87.7Confident87.4Confident9 Ų963.4 Ų63.45%0.04730%0.299CS..Hα-helixtrans-65.8-47.8174.4-72.2166.3000111F218 E222 A225 K226 L229 L248 K249 A254 H255 E256F218-L252 HydrophobicContact CD2-CD2 3.85Å; F218-L252 HydrophobicContact CE1-CD2 4.43Å; F218-L252 HydrophobicContact CE2-CD2 3.7Å; F218-L252 HydrophobicContact CG-CD2 4.29Å; F218-L252 HydrophobicContact CZ-CD2 3.99Å; E222-L252 HydrophobicContact CG-CD2 4.03Å; A225-L252 HydrophobicContact CB-CD2 3.91Å; K226-L252 HydrophobicContact CG-CD1 4.06Å; K226-L252 HydrophobicContact CG-CD2 4.26Å; L229-L252 HydrophobicContact CD2-CD1 4.18Å; L248-L252 WeakPolarHBondContact O-CB 3.17Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.5Å; L248-L252 PolarHBondContact O-N 3.26Å; K249-L252 PolarHBondContact O-N 3.25Å; L252-A254 PolarHBondContact O-N 3.38Å; L252-H255 PolarHBondContact O-N 2.83Å; L252-H255 VanDerWaalsContact O-N 3.12Å; L252-E256 WeakPolarHBondContact O-CG 3.43Å; L252-E256 PolarHBondContact O-N 3.34Å
253E89Confident87.7Confident110 Ų11063.3 Ų63.351%0.51430%0.297SS..Hα-helixtrans-57-47.1175-72.4170.7-173.400111.4K249 H255 E256 E257K249-E253 WeakPolarHBondContact O-CG 3.47Å; K249-E253 PolarHBondContact O-N 3.29Å; E253-H255 VanDerWaalsContact C-N 3.27Å; E253-H255 PolarHBondContact O-N 3.48Å; E253-E256 PolarHBondContact O-N 3.19Å; E253-E257 WeakPolarHBondContact O-CG 3.45Å; E253-E257 PolarHBondContact O-N 3.38Å
254A87.5Confident87.9Confident4 Ų459.3 Ų59.33%0.03329%0.289CS..Hα-helixtrans-64.5-30.917800000113.1K250 L252 Q258 N259 A262K250-A254 WeakPolarHBondContact O-CB 3.48Å; K250-A254 PolarHBondContact O-N 2.84Å; L252-A254 PolarHBondContact O-N 3.38Å; A254-Q258 PolarHBondContact O-N 2.93Å; A254-N259 PolarHBondContact O-N 2.98Å; A254-A262 HydrophobicContact CB-CB 4.07Å
255H84.8Confident88.2Confident37 Ų3763.1 Ų63.117%0.17131%0.306CS..Hα-helixtrans-75.4-41176.5-175.3-75.5000112F218 E222 L251 L252 E253 E257 Q258 I291F218-H255 HydrophobicContact CE2-CB 3.87Å; F218-H255 AromaticContact CE2-CD2 3.53Å; F218-H255 AromaticContact CE2-CG 3.55Å; F218-H255 AromaticContact CE2-ND1 3.98Å; F218-H255 HydrophobicContact CZ-CB 3.48Å; F218-H255 VanDerWaalsContact CZ-CB 3.48Å; F218-H255 AromaticContact CZ-CD2 3.59Å; F218-H255 AromaticContact CZ-CG 3.61Å; E222-H255 IonicContact OE2-CE1 2.75Å; E222-H255 PolarHBondContact OE2-CE1 3.08Å; E222-H255 IonicContact OE2-CG 2.73Å; E222-H255 IonicContact OE2-ND1 2.79Å; E222-H255 PolarHBondContact OE2-ND1 3.46Å; L251-H255 WeakPolarHBondContact O-CB 3.22Å; L251-H255 PolarHBondContact O-N 3.22Å; L252-H255 PolarHBondContact O-N 2.83Å; L252-H255 VanDerWaalsContact O-N 3.12Å; E253-H255 VanDerWaalsContact C-N 3.27Å; E253-H255 PolarHBondContact O-N 3.48Å; H255-E257 VanDerWaalsContact C-N 3.28Å; H255-E257 PolarHBondContact O-N 3.04Å; H255-Q258 PolarHBondContact O-N 2.99Å; H255-I291 HydrophobicContact CB-CD1 4.06Å; H255-I291 HydrophobicContact CB-CG1 4.26Å; H255-I291 WeakPolarHBondContact CD2-CG1 3.39Å
256E85.6Confident88.4Confident104 Ų10463.5 Ų63.549%0.48631%0.31SS..Hα-helixtrans-57.4-41.8172.5-75176.5-134.400112.1E222 K226 L252 E253 Q258E222-E256 WeakPolarHBondContact OE1-CG 3.36Å; K226-E256 WeakPolarHBondContact CE-OE1 3.3Å; K226-E256 IonicContact NZ-OE1 3.62Å; K226-E256 PolarHBondContact NZ-OE1 3.31Å; K226-E256 IonicContact NZ-OE2 2.82Å; K226-E256 PolarHBondContact NZ-OE2 3.32Å; L252-E256 WeakPolarHBondContact O-CG 3.43Å; L252-E256 PolarHBondContact O-N 3.34Å; E253-E256 PolarHBondContact O-N 3.19Å; E256-Q258 PolarHBondContact O-N 2.89Å
257E87.3Confident88.5Confident140 Ų14059 Ų5965%0.65429%0.292SS*.THydrogen-bonded Turntrans-80.1-2.1178.1-66.1-177.717600113.4E253 H255 N259E253-E257 WeakPolarHBondContact O-CG 3.45Å; E253-E257 PolarHBondContact O-N 3.38Å; H255-E257 VanDerWaalsContact C-N 3.28Å; H255-E257 PolarHBondContact O-N 3.04Å; E257-N259 HydrophobicContact CB-CB 4.19Å; E257-N259 PolarHBondContact O-N 3.3Å
258Q83.9Confident88.6Confident154 Ų15466.2 Ų66.272%0.7232%0.323SS*.THydrogen-bonded Turntrans51.132.5-171.8-59.6-166.3-32.700113.6A254 H255 E256 S260A254-Q258 PolarHBondContact O-N 2.93Å; H255-Q258 PolarHBondContact O-N 2.99Å; E256-Q258 PolarHBondContact O-N 2.89Å; Q258-S260 PolarHBondContact O-N 3.36Å
259N88.1Confident88.6Confident59 Ų5970.1 Ų70.132%0.31634%0.341SS..  trans-97.991.5-173.9-170.8-17.2000111.5A254 E257 E261 A262 Y263A254-N259 PolarHBondContact O-N 2.98Å; E257-N259 HydrophobicContact CB-CB 4.19Å; E257-N259 PolarHBondContact O-N 3.3Å; N259-E261 VanDerWaalsContact C-N 3.26Å; N259-E261 PolarHBondContact O-N 3.18Å; N259-E261 PolarHBondContact OD1-N 3.12Å; N259-A262 HydrophobicContact CB-CB 4.02Å; N259-A262 PolarHBondContact O-N 3.06Å; N259-A262 PolarHBondContact OD1-N 3.29Å; N259-Y263 PolarHBondContact O-N 3.39Å; N259-Y263 VanDerWaalsContact O-N 3.13Å
260S86.3Confident88.6Confident36 Ų3667.5 Ų67.525%0.25233%0.33SS..Hα-helixtrans-66.5-23.5-179.276.30000114.4Q258 T264Q258-S260 PolarHBondContact O-N 3.36Å; S260-T264 WeakPolarHBondContact O-CB 3.14Å; S260-T264 PolarHBondContact O-N 3.18Å; S260-T264 VanDerWaalsContact O-N 3.13Å; S260-T264 PolarHBondContact O-OG1 3.31Å
261E88.6Confident88.6Confident156 Ų15665 Ų6573%0.72932%0.321SS*.Hα-helixtrans-73.2-49176.5-67.3-174.6175.100110.5N259 Y263 T264 E265N259-E261 VanDerWaalsContact C-N 3.26Å; N259-E261 PolarHBondContact O-N 3.18Å; N259-E261 PolarHBondContact OD1-N 3.12Å; E261-Y263 VanDerWaalsContact C-N 3.28Å; E261-Y263 PolarHBondContact O-N 3.08Å; E261-T264 PolarHBondContact O-N 3.37Å; E261-T264 VanDerWaalsContact O-N 3.09Å; E261-E265 PolarHBondContact O-N 2.9Å
262A89.6Confident88.6Confident31 Ų3169.6 Ų69.626%0.25635%0.353SS..Hα-helixtrans-59.3-39.8175.700000111.8A254 N259 E265 A266A254-A262 HydrophobicContact CB-CB 4.07Å; N259-A262 HydrophobicContact CB-CB 4.02Å; N259-A262 PolarHBondContact O-N 3.06Å; N259-A262 PolarHBondContact OD1-N 3.29Å; A262-E265 PolarHBondContact O-N 3.32Å; A262-A266 WeakPolarHBondContact O-CB 3.15Å; A262-A266 PolarHBondContact O-N 3.19Å
263Y90.2Very high88.5Confident4 Ų474.6 Ų74.62%0.01638%0.379CS..Hα-helixtrans-59.5-47.8173.4-176-85.4000111.7F218 L251 N259 E261 E265 A266 V267 L284 I287 K288 I291F218-Y263 HydrophobicContact CE1-CE2 4.45Å; L251-Y263 HydrophobicContact CB-CD2 4.2Å; L251-Y263 HydrophobicContact CB-CE2 3.95Å; L251-Y263 HydrophobicContact CD1-CE2 4.23Å; L251-Y263 HydrophobicContact CD2-CD2 3.55Å; L251-Y263 HydrophobicContact CD2-CE2 3.49Å; L251-Y263 VanDerWaalsContact CD2-CE2 3.49Å; L251-Y263 HydrophobicContact CD2-CG 4.11Å; L251-Y263 HydrophobicContact CG-CD2 4.39Å; L251-Y263 HydrophobicContact CG-CE2 4.05Å; N259-Y263 PolarHBondContact O-N 3.39Å; N259-Y263 VanDerWaalsContact O-N 3.13Å; E261-Y263 VanDerWaalsContact C-N 3.28Å; E261-Y263 PolarHBondContact O-N 3.08Å; Y263-E265 PolarHBondContact O-N 3.06Å; Y263-A266 PolarHBondContact O-N 2.95Å; Y263-V267 HydrophobicContact CD1-CG2 4.19Å; Y263-V267 HydrophobicContact CE1-CG2 3.84Å; Y263-V267 WeakPolarHBondContact O-CG2 3.5Å; Y263-V267 PolarHBondContact O-N 3.34Å; Y263-V267 VanDerWaalsContact O-N 3.08Å; Y263-L284 WeakPolarHBondContact OH-CA 3.45Å; Y263-L284 WeakPolarHBondContact OH-CD2 3.44Å; Y263-L284 PolarHBondContact OH-O 3.01Å; Y263-I287 HydrophobicContact CE2-CB 4.5Å; Y263-I287 HydrophobicContact CE2-CG2 3.68Å; Y263-I287 WeakPolarHBondContact OH-CB 3.22Å; Y263-I287 WeakPolarHBondContact OH-CG2 3.41Å; Y263-K288 HydrophobicContact CD1-CB 4.12Å; Y263-K288 HydrophobicContact CD1-CD 4.43Å; Y263-K288 HydrophobicContact CD1-CG 4.27Å; Y263-K288 HydrophobicContact CE1-CB 3.75Å; Y263-K288 HydrophobicContact CE1-CG 4.37Å; Y263-I291 HydrophobicContact CD2-CD1 3.58Å; Y263-I291 HydrophobicContact CE2-CD1 4.08Å; Y263-I291 HydrophobicContact CG-CD1 3.92Å
264T89.7Confident88.3Confident57 Ų5770.6 Ų70.635%0.3536%0.363SS..Hα-helixtrans-67.5-37-178.2-54.60000111.6S260 E261 K268 K288S260-T264 WeakPolarHBondContact O-CB 3.14Å; S260-T264 PolarHBondContact O-N 3.18Å; S260-T264 VanDerWaalsContact O-N 3.13Å; S260-T264 PolarHBondContact O-OG1 3.31Å; E261-T264 PolarHBondContact O-N 3.37Å; E261-T264 VanDerWaalsContact O-N 3.09Å; T264-K268 WeakPolarHBondContact O-CB 3.25Å; T264-K268 PolarHBondContact O-N 3.21Å; T264-K288 PolarHBondContact OG1-NZ 3.29Å
265E92.4Very high88.3Confident125 Ų12580.1 Ų80.158%0.58440%0.398SS*.Hα-helixtrans-64.6-47.1174.8-174.9169.5-151.700111.5E261 A262 Y263 V267 K268 E269E261-E265 PolarHBondContact O-N 2.9Å; A262-E265 PolarHBondContact O-N 3.32Å; Y263-E265 PolarHBondContact O-N 3.06Å; E265-V267 VanDerWaalsContact C-N 3.33Å; E265-V267 PolarHBondContact O-N 2.97Å; E265-K268 WeakPolarHBondContact O-CB 3.43Å; E265-K268 PolarHBondContact O-N 3.32Å; E265-K268 VanDerWaalsContact O-N 3.1Å; E265-E269 WeakPolarHBondContact O-CG 3.35Å; E265-E269 PolarHBondContact O-N 3.49Å
266A90.8Very high88.4Confident8 Ų880 Ų807%0.06640%0.399CS..Hα-helixtrans-59-42.5177.400000112.3L247 K250 L251 A262 Y263 F270L247-A266 HydrophobicContact CD1-CB 4.23Å; K250-A266 HydrophobicContact CB-CB 4.15Å; K250-A266 HydrophobicContact CD-CB 4.27Å; L251-A266 HydrophobicContact CD2-CB 4.08Å; A262-A266 WeakPolarHBondContact O-CB 3.15Å; A262-A266 PolarHBondContact O-N 3.19Å; Y263-A266 PolarHBondContact O-N 2.95Å; A266-F270 PolarHBondContact O-N 2.93Å; A266-F270 VanDerWaalsContact O-N 3.07Å
267V90.1Very high88.4Confident24 Ų2478.5 Ų78.515%0.14539%0.394CS..Hα-helixtrans-64.7-40.4175.2174.20000111.5L251 Y263 E265 F270 D271 L276 L284L251-V267 HydrophobicContact CD2-CG2 3.76Å; Y263-V267 HydrophobicContact CD1-CG2 4.19Å; Y263-V267 HydrophobicContact CE1-CG2 3.84Å; Y263-V267 WeakPolarHBondContact O-CG2 3.5Å; Y263-V267 PolarHBondContact O-N 3.34Å; Y263-V267 VanDerWaalsContact O-N 3.08Å; E265-V267 VanDerWaalsContact C-N 3.33Å; E265-V267 PolarHBondContact O-N 2.97Å; V267-F270 PolarHBondContact O-N 3.45Å; V267-D271 PolarHBondContact O-N 3.44Å; V267-L276 HydrophobicContact CG1-CD1 3.71Å; V267-L284 HydrophobicContact CG1-CD1 4.04Å; V267-L284 HydrophobicContact CG2-CD1 4.24Å; V267-L284 HydrophobicContact CG2-CD2 4.36Å
268K90.3Very high88.5Confident158 Ų15878.8 Ų78.869%0.68740%0.395SS*.Hα-helixtrans-67.5-42.3178.9-176-177.9178.4-175.30112.4T264 E265 F270 D271 S272T264-K268 WeakPolarHBondContact O-CB 3.25Å; T264-K268 PolarHBondContact O-N 3.21Å; E265-K268 WeakPolarHBondContact O-CB 3.43Å; E265-K268 PolarHBondContact O-N 3.32Å; E265-K268 VanDerWaalsContact O-N 3.1Å; K268-F270 VanDerWaalsContact C-N 3.28Å; K268-F270 PolarHBondContact O-N 3.14Å; K268-D271 PolarHBondContact O-N 3.4Å; K268-S272 PolarHBondContact O-N 3.02Å; K268-S272 VanDerWaalsContact O-N 3.13Å
269E90.4Very high88.7Confident85 Ų8572.3 Ų72.340%0.39736%0.364SS..Hα-helixtrans-57.2-45.7172.2-74.1-17516700110.4K250 E265 S272K250-E269 IonicContact NZ-OE2 3.96Å; K250-E269 PolarHBondContact NZ-OE2 3.42Å; E265-E269 WeakPolarHBondContact O-CG 3.35Å; E265-E269 PolarHBondContact O-N 3.49Å; E269-S272 PolarHBondContact O-N 3.37Å; E269-S272 PolarHBondContact O-OG 2.87Å
270F89.7Confident88.8Confident21 Ų2170.1 Ų70.19%0.09235%0.352CS..Hα-helixtrans-64.3-46.6178.7-172.5-93.7000112.5R243 L247 A266 V267 K268 S272 I273 S274 L276R243-F270 HydrophobicContact CB-CE2 3.98Å; L247-F270 HydrophobicContact CB-CD2 3.93Å; L247-F270 HydrophobicContact CB-CE2 4.27Å; L247-F270 HydrophobicContact CD1-CB 3.97Å; L247-F270 HydrophobicContact CD1-CG 4.4Å; L247-F270 HydrophobicContact CD2-CB 3.99Å; L247-F270 HydrophobicContact CD2-CD1 3.87Å; L247-F270 HydrophobicContact CD2-CD2 3.68Å; L247-F270 HydrophobicContact CD2-CE1 4.19Å; L247-F270 HydrophobicContact CD2-CE2 4.02Å; L247-F270 HydrophobicContact CD2-CG 3.59Å; L247-F270 HydrophobicContact CD2-CZ 4.26Å; L247-F270 HydrophobicContact CG-CB 4.48Å; L247-F270 HydrophobicContact CG-CD2 4.24Å; L247-F270 HydrophobicContact CG-CG 4.39Å; A266-F270 PolarHBondContact O-N 2.93Å; A266-F270 VanDerWaalsContact O-N 3.07Å; V267-F270 PolarHBondContact O-N 3.45Å; K268-F270 VanDerWaalsContact C-N 3.28Å; K268-F270 PolarHBondContact O-N 3.14Å; F270-S272 PolarHBondContact O-N 2.91Å; F270-I273 PolarHBondContact O-N 2.95Å; F270-S274 PolarHBondContact O-N 3.11Å; F270-S274 VanDerWaalsContact O-O 3.12Å; F270-L276 HydrophobicContact CD1-CD2 3.69Å; F270-L276 HydrophobicContact CE1-CD2 3.85Å
271D90.2Very high88.9Confident44 Ų4470.7 Ų70.724%0.23536%0.355CS..Hα-helixtrans-60.3-31.8178.9-17458.2000112.9V267 K268 I273 S274 R275 L276V267-D271 PolarHBondContact O-N 3.44Å; K268-D271 PolarHBondContact O-N 3.4Å; D271-I273 PolarHBondContact O-N 3.15Å; D271-S274 WeakPolarHBondContact CA-O 3.48Å; D271-R275 WeakPolarHBondContact OD1-CA 3.34Å; D271-R275 IonicContact OD1-NH1 2.93Å; D271-R275 IonicContact OD2-NH1 2.75Å; D271-R275 PolarHBondContact OD2-NH1 2.95Å; D271-L276 HydrophobicContact CB-CD1 3.92Å; D271-L276 HydrophobicContact CB-CG 4.02Å; D271-L276 PolarHBondContact OD1-N 3.04Å
272S88Confident89Confident95 Ų9565.2 Ų65.266%0.66433%0.332SS*.Hα-helixtrans-66.1-26.2177.378.40000113.3K268 E269 F270K268-S272 PolarHBondContact O-N 3.02Å; K268-S272 VanDerWaalsContact O-N 3.13Å; E269-S272 PolarHBondContact O-N 3.37Å; E269-S272 PolarHBondContact O-OG 2.87Å; F270-S272 PolarHBondContact O-N 2.91Å
273I86.9Confident89Confident114 Ų11463.7 Ų63.759%0.58532%0.32SS*.Hα-helixtrans-102.8-40.8-177.1-57.7170.6000111.1F270 D271F270-I273 PolarHBondContact O-N 2.95Å; D271-I273 PolarHBondContact O-N 3.15Å
274S84.2Confident89Confident27 Ų2763.8 Ų63.819%0.18932%0.32CS..SBendtrans-133.2105-176.3-69.20000108.2R243 F270 D271 L276R243-S274 PolarHBondContact NH1-OG 3.39Å; F270-S274 PolarHBondContact O-N 3.11Å; F270-S274 VanDerWaalsContact O-O 3.12Å; D271-S274 WeakPolarHBondContact CA-O 3.48Å; S274-L276 PolarHBondContact O-N 3.38Å
275R86.6Confident88.9Confident203 Ų20365.6 Ų65.677%0.76633%0.327SS*.PPolyproline II helixtrans-57.8128.6-178.2-75.4-61.4-167.6-179.81.6111.8D271D271-R275 WeakPolarHBondContact OD1-CA 3.34Å; D271-R275 IonicContact OD1-NH1 2.93Å; D271-R275 IonicContact OD2-NH1 2.75Å; D271-R275 PolarHBondContact OD2-NH1 2.95Å
276L86.8Confident88.7Confident36 Ų3662.8 Ų62.819%0.18831%0.311CS..PPolyproline II helixtrans-72.3133.6176.5-64.2172.6000110.6V267 F270 D271 S274 L280 L284V267-L276 HydrophobicContact CG1-CD1 3.71Å; F270-L276 HydrophobicContact CD1-CD2 3.69Å; F270-L276 HydrophobicContact CE1-CD2 3.85Å; D271-L276 HydrophobicContact CB-CD1 3.92Å; D271-L276 HydrophobicContact CB-CG 4.02Å; D271-L276 PolarHBondContact OD1-N 3.04Å; S274-L276 PolarHBondContact O-N 3.38Å; L276-L280 HydrophobicContact CD2-CB 4.12Å; L276-L280 HydrophobicContact CD2-CD1 4.19Å; L276-L284 HydrophobicContact CD1-CD1 4.18Å; L276-L284 HydrophobicContact CD2-CD1 3.95Å
277D87.2Confident88.5Confident71 Ų7162.5 Ų62.538%0.3831%0.308SS..PPolyproline II helixtrans-80.9168.9168.770.6-1.2000110.5K212 W279 L280 T281K212-D277 IonicContact NZ-OD2 3.5Å; D277-W279 PolarHBondContact O-N 2.88Å; D277-W279 PolarHBondContact OD1-N 3.43Å; D277-L280 PolarHBondContact O-N 3.16Å; D277-L280 WeakPolarHBondContact OD1-CA 3.5Å; D277-L280 WeakPolarHBondContact OD1-CB 3.4Å; D277-L280 WeakPolarHBondContact OD1-CD1 3.36Å; D277-L280 WeakPolarHBondContact OD1-CG 3.48Å; D277-L280 PolarHBondContact OD1-N 3.01Å; D277-T281 WeakPolarHBondContact O-CB 3.45Å; D277-T281 PolarHBondContact O-N 3.45Å; D277-T281 PolarHBondContact O-OG1 2.99Å
278Q87.8Confident88.4Confident147 Ų14763.7 Ų63.769%0.68731%0.312SS*.Hα-helixtrans-58.5-35.4179.2-175.763.930.300111.9T282Q278-T282 PolarHBondContact O-N 3.41Å; Q278-T282 VanDerWaalsContact O-N 3.08Å; Q278-T282 PolarHBondContact O-OG1 2.97Å
279W89.8Confident88.2Confident17 Ų1763 Ų636%0.06431%0.309CS..Hα-helixtrans-68.7-50.2-178.2-17493.3000111.3A174 A177 Y189 K212 L215 D277 T281 T282 M283A174-W279 PolarHBondContact O-NE1 3.23Å; A177-W279 HydrophobicContact CB-CZ2 3.86Å; Y189-W279 HydrophobicContact CE2-CH2 4.47Å; Y189-W279 HydrophobicContact CE2-CZ2 4.16Å; K212-W279 HydrophobicContact CB-CH2 3.64Å; K212-W279 HydrophobicContact CB-CZ3 3.91Å; K212-W279 HydrophobicContact CD-CE3 4.41Å; K212-W279 HydrophobicContact CD-CH2 4.31Å; K212-W279 HydrophobicContact CD-CZ3 4.11Å; K212-W279 HydrophobicContact CG-CE3 4.2Å; K212-W279 HydrophobicContact CG-CH2 3.75Å; K212-W279 HydrophobicContact CG-CZ3 3.49Å; K212-W279 VanDerWaalsContact CG-CZ3 3.49Å; K212-W279 VanDerWaalsContact NZ-CE3 3.34Å; L215-W279 HydrophobicContact CD1-CZ3 4.22Å; D277-W279 PolarHBondContact O-N 2.88Å; D277-W279 PolarHBondContact OD1-N 3.43Å; W279-T281 VanDerWaalsContact C-N 3.33Å; W279-T281 PolarHBondContact O-N 3.25Å; W279-T282 WeakPolarHBondContact O-CB 3.5Å; W279-T282 PolarHBondContact O-N 3.02Å; W279-T282 VanDerWaalsContact O-N 3.17Å; W279-M283 HydrophobicContact CD2-CG 4.01Å; W279-M283 HydrophobicContact CE3-CG 3.95Å; W279-M283 HydrophobicContact CH2-CG 3.75Å; W279-M283 HydrophobicContact CZ2-CG 3.81Å; W279-M283 HydrophobicContact CZ2-SD 4.23Å; W279-M283 HydrophobicContact CZ3-CG 3.8Å; W279-M283 WeakPolarHBondContact O-CG 3.27Å; W279-M283 PolarHBondContact O-N 3.31Å
280L88.4Confident87.7Confident13 Ų1362.1 Ų62.17%0.06831%0.312CS..Hα-helixtrans-61.3-43.2177.5-72.2172000111F211 L215 L276 D277 T282 M283 L284F211-L280 HydrophobicContact CD1-CD2 4.01Å; F211-L280 HydrophobicContact CE1-CD1 4.09Å; F211-L280 HydrophobicContact CE1-CD2 3.36Å; F211-L280 HydrophobicContact CE1-CG 4.38Å; F211-L280 HydrophobicContact CZ-CD2 4.15Å; L215-L280 HydrophobicContact CD1-CD2 3.45Å; L215-L280 VanDerWaalsContact CD1-CD2 3.45Å; L276-L280 HydrophobicContact CD2-CB 4.12Å; L276-L280 HydrophobicContact CD2-CD1 4.19Å; D277-L280 PolarHBondContact O-N 3.16Å; D277-L280 WeakPolarHBondContact OD1-CA 3.5Å; D277-L280 WeakPolarHBondContact OD1-CB 3.4Å; D277-L280 WeakPolarHBondContact OD1-CD1 3.36Å; D277-L280 WeakPolarHBondContact OD1-CG 3.48Å; D277-L280 PolarHBondContact OD1-N 3.01Å; L280-T282 VanDerWaalsContact C-N 3.28Å; L280-T282 PolarHBondContact O-N 3.3Å; L280-M283 PolarHBondContact O-N 3.32Å; L280-L284 VanDerWaalsContact O-CB 3.3Å; L280-L284 WeakPolarHBondContact O-CB 3.38Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.35Å
281T90.1Very high87.1Confident49 Ų4962.1 Ų62.130%0.30131%0.313SS..Hα-helixtrans-56.6-46175.8-55.10000110.8D277 W279 L285D277-T281 WeakPolarHBondContact O-CB 3.45Å; D277-T281 PolarHBondContact O-N 3.45Å; D277-T281 PolarHBondContact O-OG1 2.99Å; W279-T281 VanDerWaalsContact C-N 3.33Å; W279-T281 PolarHBondContact O-N 3.25Å; T281-L285 HydrophobicContact CG2-CD1 3.98Å; T281-L285 WeakPolarHBondContact O-CB 3.35Å; T281-L285 WeakPolarHBondContact O-CG 3.43Å; T281-L285 PolarHBondContact O-N 3.34Å
282T90.1Very high86.1Confident40 Ų4064.4 Ų64.425%0.24532%0.322CS..Hα-helixtrans-63.7-46179.3-53.90000111.8Q278 W279 L280 L285 R286Q278-T282 PolarHBondContact O-N 3.41Å; Q278-T282 VanDerWaalsContact O-N 3.08Å; Q278-T282 PolarHBondContact O-OG1 2.97Å; W279-T282 WeakPolarHBondContact O-CB 3.5Å; W279-T282 PolarHBondContact O-N 3.02Å; W279-T282 VanDerWaalsContact O-N 3.17Å; L280-T282 VanDerWaalsContact C-N 3.28Å; L280-T282 PolarHBondContact O-N 3.3Å; T282-L285 PolarHBondContact O-N 3.46Å; T282-R286 WeakPolarHBondContact O-CG 3.31Å; T282-R286 PolarHBondContact O-N 2.98Å; T282-R286 VanDerWaalsContact O-N 3.1Å
283M89.4Confident84.6Confident0 Ų061.8 Ų61.80%031%0.31CS..Hα-helixtrans-66.2-45.1179.7-64.2-58.498.300112.2A177 Y182 I219 W279 L280 L285 R286 I287A177-M283 HydrophobicContact CB-SD 4.23Å; Y182-M283 HydrophobicContact CE1-SD 4.07Å; I219-M283 HydrophobicContact CD1-CB 4.26Å; I219-M283 HydrophobicContact CD1-CG 4.5Å; I219-M283 HydrophobicContact CD1-SD 3.66Å; W279-M283 HydrophobicContact CD2-CG 4.01Å; W279-M283 HydrophobicContact CE3-CG 3.95Å; W279-M283 HydrophobicContact CH2-CG 3.75Å; W279-M283 HydrophobicContact CZ2-CG 3.81Å; W279-M283 HydrophobicContact CZ2-SD 4.23Å; W279-M283 HydrophobicContact CZ3-CG 3.8Å; W279-M283 WeakPolarHBondContact O-CG 3.27Å; W279-M283 PolarHBondContact O-N 3.31Å; L280-M283 PolarHBondContact O-N 3.32Å; M283-L285 VanDerWaalsContact C-N 3.3Å; M283-L285 PolarHBondContact O-N 3.28Å; M283-R286 WeakPolarHBondContact O-CB 3.46Å; M283-R286 PolarHBondContact O-N 3.04Å; M283-R286 VanDerWaalsContact O-N 3.13Å; M283-I287 WeakPolarHBondContact O-CG1 3.29Å; M283-I287 PolarHBondContact O-N 3.46Å
284L89.4Confident82.5Confident6 Ų665 Ų653%0.03133%0.328CS..Hα-helixtrans-64.3-34.8178.9-69.6170.7000112.2L215 L251 Y263 V267 L276 L280 K288L215-L284 HydrophobicContact CD2-CD2 3.89Å; L251-L284 HydrophobicContact CD1-CD2 3.57Å; Y263-L284 WeakPolarHBondContact OH-CA 3.45Å; Y263-L284 WeakPolarHBondContact OH-CD2 3.44Å; Y263-L284 PolarHBondContact OH-O 3.01Å; V267-L284 HydrophobicContact CG1-CD1 4.04Å; V267-L284 HydrophobicContact CG2-CD1 4.24Å; V267-L284 HydrophobicContact CG2-CD2 4.36Å; L276-L284 HydrophobicContact CD1-CD1 4.18Å; L276-L284 HydrophobicContact CD2-CD1 3.95Å; L280-L284 VanDerWaalsContact O-CB 3.3Å; L280-L284 WeakPolarHBondContact O-CB 3.38Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.35Å; L284-K288 WeakPolarHBondContact O-CB 3.24Å; L284-K288 PolarHBondContact O-N 3.14Å
285L89.4Confident80.3Confident95 Ų9567 Ų6750%0.49735%0.353SS..Hα-helixtrans-68.6-37.3173.4-73.7172000112T281 T282 M283 K288 K289T281-L285 HydrophobicContact CG2-CD1 3.98Å; T281-L285 WeakPolarHBondContact O-CB 3.35Å; T281-L285 WeakPolarHBondContact O-CG 3.43Å; T281-L285 PolarHBondContact O-N 3.34Å; T282-L285 PolarHBondContact O-N 3.46Å; M283-L285 VanDerWaalsContact C-N 3.3Å; M283-L285 PolarHBondContact O-N 3.28Å; L285-K288 PolarHBondContact O-N 3.04Å; L285-K289 WeakPolarHBondContact O-CG 3.4Å; L285-K289 PolarHBondContact O-N 3.36Å
286R87.8Confident78Confident66 Ų6665.5 Ų65.525%0.24936%0.355CS..Hα-helixtrans-62.7-43.7174.6-74.3-175.7174.3170.6-3111.6A177 Q178 E180 Y182 T282 M283 K289 S290A177-R286 PolarHBondContact O-NH1 2.95Å; Q178-R286 PolarHBondContact O-NH1 3.18Å; Q178-R286 PolarHBondContact O-NH2 3.25Å; E180-R286 IonicContact OE1-NH2 2.88Å; Y182-R286 WeakPolarHBondContact OH-CD 3.45Å; Y182-R286 PolarHBondContact OH-NH1 2.9Å; T282-R286 WeakPolarHBondContact O-CG 3.31Å; T282-R286 PolarHBondContact O-N 2.98Å; T282-R286 VanDerWaalsContact O-N 3.1Å; M283-R286 WeakPolarHBondContact O-CB 3.46Å; M283-R286 PolarHBondContact O-N 3.04Å; M283-R286 VanDerWaalsContact O-N 3.13Å; R286-K289 PolarHBondContact O-N 3.18Å; R286-S290 PolarHBondContact O-N 3.47Å
287I86.7Confident75.6Confident1 Ų167 Ų671%0.00538%0.379CS..Hα-helixtrans-64.2-41.5174-63.6160.1000111L215 F218 I219 Y263 M283 K289 S290 I291L215-I287 HydrophobicContact CD2-CD1 3.81Å; F218-I287 HydrophobicContact CB-CD1 4.36Å; F218-I287 HydrophobicContact CD1-CD1 3.63Å; F218-I287 HydrophobicContact CD1-CG1 4.1Å; F218-I287 HydrophobicContact CD1-CG2 3.68Å; F218-I287 HydrophobicContact CE1-CD1 4.32Å; F218-I287 HydrophobicContact CE1-CG2 3.35Å; F218-I287 HydrophobicContact CE2-CG2 4.44Å; F218-I287 HydrophobicContact CG-CD1 4.27Å; F218-I287 HydrophobicContact CG-CG1 4.48Å; F218-I287 HydrophobicContact CG-CG2 4.35Å; F218-I287 HydrophobicContact CZ-CG2 3.79Å; I219-I287 HydrophobicContact CD1-CG1 4.33Å; I219-I287 HydrophobicContact CG1-CD1 4.03Å; I219-I287 HydrophobicContact CG1-CG1 3.46Å; I219-I287 VanDerWaalsContact CG1-CG1 3.46Å; Y263-I287 HydrophobicContact CE2-CB 4.5Å; Y263-I287 HydrophobicContact CE2-CG2 3.68Å; Y263-I287 WeakPolarHBondContact OH-CB 3.22Å; Y263-I287 WeakPolarHBondContact OH-CG2 3.41Å; M283-I287 WeakPolarHBondContact O-CG1 3.29Å; M283-I287 PolarHBondContact O-N 3.46Å; I287-K289 VanDerWaalsContact C-N 3.26Å; I287-K289 PolarHBondContact O-N 3.2Å; I287-S290 PolarHBondContact O-N 3.37Å; I287-S290 VanDerWaalsContact O-N 3.14Å; I287-S290 PolarHBondContact O-OG 3.4Å; I287-I291 PolarHBondContact O-N 3.48Å
288K86.3Confident73.5Confident49 Ų4972.1 Ų72.121%0.21341%0.406CS..Hα-helixtrans-59.5-39.5176.8-177.2173.7172.9168.70112Y263 T264 L284 L285 S290 I291 Q292Y263-K288 HydrophobicContact CD1-CB 4.12Å; Y263-K288 HydrophobicContact CD1-CD 4.43Å; Y263-K288 HydrophobicContact CD1-CG 4.27Å; Y263-K288 HydrophobicContact CE1-CB 3.75Å; Y263-K288 HydrophobicContact CE1-CG 4.37Å; T264-K288 PolarHBondContact OG1-NZ 3.29Å; L284-K288 WeakPolarHBondContact O-CB 3.24Å; L284-K288 PolarHBondContact O-N 3.14Å; L285-K288 PolarHBondContact O-N 3.04Å; K288-S290 VanDerWaalsContact C-N 3.32Å; K288-S290 PolarHBondContact O-N 3.37Å; K288-I291 PolarHBondContact O-N 3.02Å; K288-Q292 VanDerWaalsContact CE-NE2 3.34Å; K288-Q292 PolarHBondContact O-N 3.06Å
289K86.1Confident71Confident144 Ų14468.4 Ų68.463%0.62641%0.408SS*.Hα-helixtrans-63.2-35.7177.1-74.3-178.4175.9-169.10112.4L285 R286 I287 I291 Q292 G293L285-K289 WeakPolarHBondContact O-CG 3.4Å; L285-K289 PolarHBondContact O-N 3.36Å; R286-K289 PolarHBondContact O-N 3.18Å; I287-K289 VanDerWaalsContact C-N 3.26Å; I287-K289 PolarHBondContact O-N 3.2Å; K289-I291 VanDerWaalsContact C-N 3.29Å; K289-I291 PolarHBondContact O-N 2.68Å; K289-Q292 PolarHBondContact O-N 3.45Å; K289-G293 PolarHBondContact O-N 3.25Å
290S81.3Confident68.5Low67 Ų6774.4 Ų74.447%0.46944%0.441SS..Hα-helixtrans-66.1-31.6176.467.50000112.7R286 I287 K288R286-S290 PolarHBondContact O-N 3.47Å; I287-S290 PolarHBondContact O-N 3.37Å; I287-S290 VanDerWaalsContact O-N 3.14Å; I287-S290 PolarHBondContact O-OG 3.4Å; K288-S290 VanDerWaalsContact C-N 3.32Å; K288-S290 PolarHBondContact O-N 3.37Å
291I75.5Confident65.8Low20 Ų2082.4 Ų82.410%0.10348%0.483CS..Hα-helixtrans-70-38.5175.7-60.4169.8000111.7H255 Y263 I287 K288 K289 G293H255-I291 HydrophobicContact CB-CD1 4.06Å; H255-I291 HydrophobicContact CB-CG1 4.26Å; H255-I291 WeakPolarHBondContact CD2-CG1 3.39Å; Y263-I291 HydrophobicContact CD2-CD1 3.58Å; Y263-I291 HydrophobicContact CE2-CD1 4.08Å; Y263-I291 HydrophobicContact CG-CD1 3.92Å; I287-I291 PolarHBondContact O-N 3.48Å; K288-I291 PolarHBondContact O-N 3.02Å; K289-I291 VanDerWaalsContact C-N 3.29Å; K289-I291 PolarHBondContact O-N 2.68Å; I291-G293 VanDerWaalsContact C-N 3.33Å
292Q70.5Confident63.1Low92 Ų9292.5 Ų92.543%0.4352%0.523SS..Hα-helixtrans-80.7-13.1-175.6-66.7-179.5-35.500113.3K288 K289K288-Q292 VanDerWaalsContact CE-NE2 3.34Å; K288-Q292 PolarHBondContact O-N 3.06Å; K289-Q292 PolarHBondContact O-N 3.45Å
293G57Low61.7Low40 Ų4095.2 Ų95.241%0.41254%0.537SS..  trans71.4156.2-170.800000112.1K289 I291 G295K289-G293 PolarHBondContact O-N 3.25Å; I291-G293 VanDerWaalsContact C-N 3.33Å; G293-G295 PolarHBondContact O-N 3.4Å
294D42.6Very low60.3Low182 Ų182100.2 Ų100.297%0.97357%0.565SS**THydrogen-bonded Turntrans-65.738179.4-72.6-31.9000114.2
295G38.3Very low58.6Low68 Ų68105.4 Ų105.470%0.70160%0.595SS**THydrogen-bonded Turntrans-101.7-10.7-171.600000116.2G293G293-G295 PolarHBondContact O-N 3.4Å
296E38Very low56.8Low172 Ų172106 Ų10680%0.80460%0.6SS**  trans-119.385.5177.1-73-171.5156.800110.6
297G35.7Very low54.9Low68 Ų68108.5 Ų108.570%0.70162%0.622SS**  trans-60.2139.6164.700000111.4G299G297-G299 PolarHBondContact O-N 3.2Å
298D42.5Very low52.8Low178 Ų178115.7 Ų115.795%0.95266%0.663SS**  trans33.979147.5-146.731.1000115.5
299G35.8Very low50.4Low70 Ų70120.4 Ų120.472%0.72270%0.696SS**  trans-13082.5177.700000111.7G297G297-G299 PolarHBondContact O-N 3.2Å
300D37.4Very low47.6Very low143 Ų143118.6 Ų118.677%0.76570%0.701SS**  trans43.5102.6150.7-75.5-42.4000119.2
301L32.8Very low44.8Very low180 Ų180122.9 Ų122.994%0.94272%0.72SS**  trans-133.292.3139.4-80.1166.4000108.9
302K31.8Very low42Very low262 Ų262132.3 Ų132.3100%1.13978%0.776SS**  trans-64.50156.4-84.1179.6176.21680111

Retrieved 302 of 302 residues in 1151.2 ms (Link to these results)

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