A0A087XRB5_POEFO Loading...

GATA zinc finger domain containing 2B

AlphaFold DB , UniProt , Accession A0A087XRB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 612 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low54.1Low242 Ų242141.4 Ų141.4100%1.19268%0.68SS**  0127.80-116.6173.9-79.500105.4
2E42.3Very low54.4Low181 Ų181137.8 Ų137.885%0.84667%0.667SS**  cis-111.8147.714.3-67.6156.1116.500112.5
3R48.6Very low54.8Low245 Ų245137.6 Ų137.693%0.92567%0.67SS**PPolyproline II helixtrans-84.8121.9156.2-63.1177.9-168.31544.2105S5R3-S5 PolarHBondContact O-N 3.1Å; R3-S5 VanDerWaalsContact O-N 3.15Å
4M48.8Very low54.7Low137 Ų137135.3 Ų135.368%0.67566%0.662SS**PPolyproline II helixtrans-59.4121.9159.5-68.1-135.9-59.700106.7L9M4-L9 HydrophobicContact CE-CD2 4.35Å
5S63.3Low54.7Low53 Ų53136.5 Ų136.537%0.37166%0.662SS.*PPolyproline II helixtrans-62.2142-179.853.70000109.6R3 D7 T8R3-S5 PolarHBondContact O-N 3.1Å; R3-S5 VanDerWaalsContact O-N 3.15Å; S5-D7 PolarHBondContact O-N 3.49Å; S5-D7 VanDerWaalsContact O-N 3.09Å; S5-T8 WeakPolarHBondContact O-CB 3.34Å; S5-T8 PolarHBondContact O-N 2.76Å; S5-T8 PolarHBondContact OG-OG1 3.14Å
6D54.5Low54.6Low132 Ų132139.6 Ų139.671%0.70667%0.665SS**Hα-helixtrans-54.4-29.2174.1-80.6-67.6000111.4T8 L9 R10D6-T8 VanDerWaalsContact C-N 3.29Å; D6-T8 PolarHBondContact O-N 3.06Å; D6-L9 PolarHBondContact O-N 3.33Å; D6-R10 VanDerWaalsContact O-CB 3.26Å; D6-R10 WeakPolarHBondContact O-CB 3.2Å; D6-R10 PolarHBondContact O-N 3.24Å
7D57.2Low54.2Low116 Ų116135.1 Ų135.162%0.6266%0.664SS**Hα-helixtrans-60-34.4172.5-59.9-46.7000113.2S5 R10 L11S5-D7 PolarHBondContact O-N 3.49Å; S5-D7 VanDerWaalsContact O-N 3.09Å; D7-R10 PolarHBondContact O-N 3.49Å; D7-L11 VanDerWaalsContact O-CB 3.23Å; D7-L11 WeakPolarHBondContact O-CB 3.3Å; D7-L11 PolarHBondContact O-N 3.04Å
8T64.8Low53.9Low57 Ų57135.9 Ų135.935%0.3567%0.671SS.*Hα-helixtrans-70.6-39.4177.4-54.30000111.1S5 D6 N12S5-T8 WeakPolarHBondContact O-CB 3.34Å; S5-T8 PolarHBondContact O-N 2.76Å; S5-T8 PolarHBondContact OG-OG1 3.14Å; D6-T8 VanDerWaalsContact C-N 3.29Å; D6-T8 PolarHBondContact O-N 3.06Å; T8-N12 PolarHBondContact O-N 3.26Å; T8-N12 VanDerWaalsContact O-N 3.12Å; T8-N12 PolarHBondContact O-ND2 3.06Å
9L59.2Low53.6Low97 Ų97134.3 Ų134.351%0.50866%0.661SS.*Hα-helixtrans-68.2-40.8173-71171.6000111.1M4 D6 N12 L13M4-L9 HydrophobicContact CE-CD2 4.35Å; D6-L9 PolarHBondContact O-N 3.33Å; L9-N12 PolarHBondContact O-N 3.26Å; L9-L13 PolarHBondContact O-N 3.5Å
10R59.9Low53.8Low176 Ų176130.2 Ų130.266%0.66465%0.646SS**Hα-helixtrans-64.3-39.9176.5-167.8176.9178.5119.60.1112.1D6 D7 L13 L14D6-R10 VanDerWaalsContact O-CB 3.26Å; D6-R10 WeakPolarHBondContact O-CB 3.2Å; D6-R10 PolarHBondContact O-N 3.24Å; D7-R10 PolarHBondContact O-N 3.49Å; R10-L13 PolarHBondContact O-N 3.03Å; R10-L14 HydrophobicContact CG-CD1 4.37Å; R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 WeakPolarHBondContact O-CG 3.26Å; R10-L14 PolarHBondContact O-N 3.46Å
11L55.5Low53.9Low119 Ų119128.5 Ų128.562%0.62365%0.647SS**Hα-helixtrans-66.9-39175.6-164.473.7000111.7D7 L13 L14 K15D7-L11 VanDerWaalsContact O-CB 3.23Å; D7-L11 WeakPolarHBondContact O-CB 3.3Å; D7-L11 PolarHBondContact O-N 3.04Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-K15 VanDerWaalsContact O-CB 3.29Å; L11-K15 WeakPolarHBondContact O-CB 3.5Å; L11-K15 PolarHBondContact O-N 3.44Å
12N58.4Low54.9Low98 Ų98121 Ų12152%0.52462%0.618SS.*Hα-helixtrans-65.6-37172.2-83.8-78.5000112.4T8 L9 K15 R16T8-N12 PolarHBondContact O-N 3.26Å; T8-N12 VanDerWaalsContact O-N 3.12Å; T8-N12 PolarHBondContact O-ND2 3.06Å; L9-N12 PolarHBondContact O-N 3.26Å; N12-K15 PolarHBondContact O-N 3.36Å; N12-R16 WeakPolarHBondContact O-CB 3.36Å; N12-R16 PolarHBondContact O-N 3.4Å
13L58.6Low56Low136 Ų136117.9 Ų117.971%0.71260%0.604SS**Hα-helixtrans-67-40.6175.7-14573.6000111.9L9 R10 L11 R16 G17L9-L13 PolarHBondContact O-N 3.5Å; R10-L13 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-R16 PolarHBondContact O-N 3.36Å; L13-G17 PolarHBondContact O-N 3.11Å
14L54.3Low56.9Low105 Ų105111.3 Ų111.355%0.5558%0.579SS.*Hα-helixtrans-65.3-44173-74.2162.7000111.8R10 L11 R16 G17 L18R10-L14 HydrophobicContact CG-CD1 4.37Å; R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 WeakPolarHBondContact O-CG 3.26Å; R10-L14 PolarHBondContact O-N 3.46Å; L11-L14 PolarHBondContact O-N 3.36Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 2.9Å; L14-G17 WeakPolarHBondContact O-CA 3.48Å; L14-G17 PolarHBondContact O-N 3.08Å; L14-L18 PolarHBondContact O-N 2.91Å
15K54Low58.1Low154 Ų154110.9 Ų110.967%0.6758%0.576SS**Hα-helixtrans-60.6-36.5177.3-167.2172.1-175.7177.90112.2L11 N12 G17 L18L11-K15 VanDerWaalsContact O-CB 3.29Å; L11-K15 WeakPolarHBondContact O-CB 3.5Å; L11-K15 PolarHBondContact O-N 3.44Å; N12-K15 PolarHBondContact O-N 3.36Å; K15-G17 VanDerWaalsContact C-N 3.26Å; K15-G17 PolarHBondContact O-N 3.23Å; K15-L18 PolarHBondContact O-N 3.47Å
16R53.1Low58.9Low185 Ų185113 Ų11370%0.69858%0.58SS**THydrogen-bonded Turntrans-73.7-14.8175.2-159.8171.5-172.9161.11.9114N12 L13 L14 R24N12-R16 WeakPolarHBondContact O-CB 3.36Å; N12-R16 PolarHBondContact O-N 3.4Å; L13-R16 PolarHBondContact O-N 3.36Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 2.9Å; R16-R24 PolarHBondContact O-NH2 3.03Å
17G48.7Very low60Low64 Ų64109.5 Ų109.566%0.6657%0.569SS**THydrogen-bonded Turntrans-87.8-7.5172.400000114.7L13 L14 K15L13-G17 PolarHBondContact O-N 3.11Å; L14-G17 WeakPolarHBondContact O-CA 3.48Å; L14-G17 PolarHBondContact O-N 3.08Å; K15-G17 VanDerWaalsContact C-N 3.26Å; K15-G17 PolarHBondContact O-N 3.23Å
18L47.4Very low60.7Low149 Ų149108.6 Ų108.678%0.7856%0.564SS**SBendtrans-101.6-12.9-177.3-72.3171.2000114.6L14 K15 S20L14-L18 PolarHBondContact O-N 2.91Å; K15-L18 PolarHBondContact O-N 3.47Å; L18-S20 PolarHBondContact O-N 3.01Å
19E49.5Very low61.5Low106 Ų106108.3 Ų108.350%0.49556%0.564SS.*SBendtrans-66.2127.4169-64.1178.4131.900109.6R24E19-R24 IonicContact OE2-CZ 2.65Å; E19-R24 IonicContact OE2-NE 3.73Å; E19-R24 IonicContact OE2-NH2 3.82Å; E19-R24 PolarHBondContact OE2-NH2 3.15Å
20S56.8Low62.8Low51 Ų51109.4 Ų109.436%0.35756%0.564SS.*  trans-65.5148.5179.573.40000110.6L18 S22 E23 R24L18-S20 PolarHBondContact O-N 3.01Å; S20-S22 PolarHBondContact O-N 3.42Å; S20-S22 VanDerWaalsContact O-N 3.12Å; S20-E23 VanDerWaalsContact CB-OE2 3.25Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 3.48Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 VanDerWaalsContact OG-CD 3.25Å; S20-E23 VanDerWaalsContact OG-CG 3.3Å; S20-E23 WeakPolarHBondContact OG-CG 3.4Å; S20-E23 PolarHBondContact OG-N 3.04Å; S20-E23 PolarHBondContact OG-OE2 3.18Å; S20-R24 PolarHBondContact O-N 3.42Å
21S56.5Low64Low95 Ų95109 Ų10966%0.66456%0.563SS**Hα-helixtrans-57.7-29.8177.5-164.40000112E25S21-E25 WeakPolarHBondContact O-CB 3.47Å; S21-E25 PolarHBondContact O-N 3.42Å; S21-E25 VanDerWaalsContact O-N 3.08Å
22S61.6Low65.4Low84 Ų84108.9 Ų108.959%0.58756%0.562SS**Hα-helixtrans-65.2-48.2177.4-169.40000112.5S20 R24 E25 E26S20-S22 PolarHBondContact O-N 3.42Å; S20-S22 VanDerWaalsContact O-N 3.12Å; S22-R24 VanDerWaalsContact C-N 3.3Å; S22-R24 PolarHBondContact O-N 3.02Å; S22-E25 PolarHBondContact O-N 2.96Å; S22-E26 WeakPolarHBondContact O-CB 3.43Å; S22-E26 PolarHBondContact O-N 3.47Å
23E65.4Low66.8Low117 Ų117111.8 Ų111.855%0.54757%0.57SS.*Hα-helixtrans-65.5-36.3-179.5-69.9159127.400111.7S20 E26 A27S20-E23 VanDerWaalsContact CB-OE2 3.25Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 3.48Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 VanDerWaalsContact OG-CD 3.25Å; S20-E23 VanDerWaalsContact OG-CG 3.3Å; S20-E23 WeakPolarHBondContact OG-CG 3.4Å; S20-E23 PolarHBondContact OG-N 3.04Å; S20-E23 PolarHBondContact OG-OE2 3.18Å; E23-E26 PolarHBondContact O-N 3.48Å; E23-A27 VanDerWaalsContact O-CB 3.32Å; E23-A27 WeakPolarHBondContact O-CB 3.48Å; E23-A27 PolarHBondContact O-N 3.47Å
24R68.4Low68.3Low106 Ų106111.9 Ų111.940%0.457%0.569SS.*Hα-helixtrans-66.3-41.7175.4-172.9172.6-66.71492.5112R16 E19 S20 S22 A27 L28R16-R24 PolarHBondContact O-NH2 3.03Å; E19-R24 IonicContact OE2-CZ 2.65Å; E19-R24 IonicContact OE2-NE 3.73Å; E19-R24 IonicContact OE2-NH2 3.82Å; E19-R24 PolarHBondContact OE2-NH2 3.15Å; S20-R24 PolarHBondContact O-N 3.42Å; S22-R24 VanDerWaalsContact C-N 3.3Å; S22-R24 PolarHBondContact O-N 3.02Å; R24-A27 PolarHBondContact O-N 2.98Å; R24-L28 VanDerWaalsContact O-CG 3.29Å; R24-L28 WeakPolarHBondContact O-CG 3.39Å; R24-L28 PolarHBondContact O-N 3.4Å
25E73.3Confident69.7Low129 Ų129112 Ų11260%0.60357%0.566SS**Hα-helixtrans-69.4-36.5176.5-171168.7-175.800112.1S21 S22 L28 S29S21-E25 WeakPolarHBondContact O-CB 3.47Å; S21-E25 PolarHBondContact O-N 3.42Å; S21-E25 VanDerWaalsContact O-N 3.08Å; S22-E25 PolarHBondContact O-N 2.96Å; E25-L28 PolarHBondContact O-N 2.91Å; E25-S29 VanDerWaalsContact O-CB 3.3Å; E25-S29 WeakPolarHBondContact O-CB 3.37Å; E25-S29 PolarHBondContact O-N 3.4Å; E25-S29 PolarHBondContact O-OG 3.07Å
26E79.7Confident71.5Confident98 Ų98106.4 Ų106.446%0.45855%0.552SS.*Hα-helixtrans-67.4-41.4173.3-164-171.4153.100111.9S22 E23 S29 K30S22-E26 WeakPolarHBondContact O-CB 3.43Å; S22-E26 PolarHBondContact O-N 3.47Å; E23-E26 PolarHBondContact O-N 3.48Å; E26-S29 WeakPolarHBondContact O-CB 3.39Å; E26-S29 PolarHBondContact O-N 3.07Å; E26-K30 WeakPolarHBondContact O-CG 3.29Å; E26-K30 PolarHBondContact O-N 2.77Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 3.07Å; E26-K30 PolarHBondContact OE1-NZ 3.05Å
27A77.3Confident73.3Confident58 Ų58103.8 Ų103.848%0.47955%0.548SS..Hα-helixtrans-63.4-41.8175.200000112.2E23 R24 K30 R31E23-A27 VanDerWaalsContact O-CB 3.32Å; E23-A27 WeakPolarHBondContact O-CB 3.48Å; E23-A27 PolarHBondContact O-N 3.47Å; R24-A27 PolarHBondContact O-N 2.98Å; A27-K30 PolarHBondContact O-N 3.29Å; A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 3.47Å
28L72.9Confident75.3Confident97 Ų97105 Ų10551%0.50854%0.536SS..Hα-helixtrans-63.8-40.7172.3-71.7171.2000111.6R24 E25 R31 L32R24-L28 VanDerWaalsContact O-CG 3.29Å; R24-L28 WeakPolarHBondContact O-CG 3.39Å; R24-L28 PolarHBondContact O-N 3.4Å; E25-L28 PolarHBondContact O-N 2.91Å; L28-R31 PolarHBondContact O-N 3.05Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.49Å
29S81.6Confident77.3Confident50 Ų5099.9 Ų99.935%0.3552%0.516SS..Hα-helixtrans-65.2-39.4176.2-63.70000112.7E25 E26 K33E25-S29 VanDerWaalsContact O-CB 3.3Å; E25-S29 WeakPolarHBondContact O-CB 3.37Å; E25-S29 PolarHBondContact O-N 3.4Å; E25-S29 PolarHBondContact O-OG 3.07Å; E26-S29 WeakPolarHBondContact O-CB 3.39Å; E26-S29 PolarHBondContact O-N 3.07Å; S29-K33 WeakPolarHBondContact O-CB 3.25Å; S29-K33 VanDerWaalsContact O-CG 3.26Å; S29-K33 WeakPolarHBondContact O-CG 3.5Å; S29-K33 PolarHBondContact O-N 3.46Å
30K85.1Confident79.3Confident120 Ų120101.4 Ų101.452%0.52253%0.525SS..Hα-helixtrans-64.6-43.8172.9-75.9172.1-177.4164.90111E26 A27 K33 M34E26-K30 WeakPolarHBondContact O-CG 3.29Å; E26-K30 PolarHBondContact O-N 2.77Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 3.07Å; E26-K30 PolarHBondContact OE1-NZ 3.05Å; A27-K30 PolarHBondContact O-N 3.29Å; K30-K33 PolarHBondContact O-N 2.87Å; K30-M34 WeakPolarHBondContact O-CG 3.24Å; K30-M34 PolarHBondContact O-N 3.36Å
31R85.1Confident80.9Confident168 Ų168104.4 Ų104.463%0.63453%0.533SS*.Hα-helixtrans-61.6-47.6176.2-173.7177.5175.5-168.7-1.8112.3A27 L28 K33 M34 E35A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 3.47Å; L28-R31 PolarHBondContact O-N 3.05Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.41Å; R31-M34 PolarHBondContact O-N 2.92Å; R31-E35 WeakPolarHBondContact O-CB 3.47Å; R31-E35 PolarHBondContact O-N 2.86Å
32L84.9Confident82.5Confident117 Ų117106.6 Ų106.661%0.61353%0.527SS*.Hα-helixtrans-61.5-35.4176.4-78.2163.9000112.6L28 G36L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.49Å; L32-G36 PolarHBondContact O-N 2.87Å
33K88.8Confident84Confident159 Ų159108.5 Ų108.569%0.69153%0.53SS*.Hα-helixtrans-66.2-43173.7-76.5170.9-179178.60112.3S29 K30 R31 H37S29-K33 WeakPolarHBondContact O-CB 3.25Å; S29-K33 VanDerWaalsContact O-CG 3.26Å; S29-K33 WeakPolarHBondContact O-CG 3.5Å; S29-K33 PolarHBondContact O-N 3.46Å; K30-K33 PolarHBondContact O-N 2.87Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.41Å; K33-H37 PolarHBondContact O-N 2.99Å
34M89.2Confident85.2Confident138 Ų138109.9 Ų109.968%0.6853%0.534SS*.Hα-helixtrans-67.4-44.9176.3-64.4-158-51.300111.9K30 R31 G36 H37 E38K30-M34 WeakPolarHBondContact O-CG 3.24Å; K30-M34 PolarHBondContact O-N 3.36Å; R31-M34 PolarHBondContact O-N 2.92Å; M34-G36 VanDerWaalsContact C-N 3.3Å; M34-G36 PolarHBondContact O-N 2.85Å; M34-H37 WeakPolarHBondContact O-CB 3.4Å; M34-H37 PolarHBondContact O-N 3.25Å; M34-H37 VanDerWaalsContact O-N 3.12Å; M34-E38 WeakPolarHBondContact O-CB 3.4Å; M34-E38 PolarHBondContact O-N 2.98Å
35E84.9Confident86.3Confident106 Ų106110 Ų11050%0.49554%0.54SS..Hα-helixtrans-62.3-37.8176.9-171.1173167.200111.6R31 E38 A39R31-E35 WeakPolarHBondContact O-CB 3.47Å; R31-E35 PolarHBondContact O-N 2.86Å; E35-E38 PolarHBondContact O-N 3.48Å; E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.2Å
36G90.6Very high87Confident37 Ų37109.2 Ų109.238%0.38154%0.54SS..Hα-helixtrans-65.2-37.417200000113.8L32 M34 M40L32-G36 PolarHBondContact O-N 2.87Å; M34-G36 VanDerWaalsContact C-N 3.3Å; M34-G36 PolarHBondContact O-N 2.85Å; G36-M40 WeakPolarHBondContact O-CB 3.33Å; G36-M40 PolarHBondContact O-N 2.68Å
37H92Very high87.3Confident130 Ų130106.8 Ų106.860%0.60254%0.536SS*.Hα-helixtrans-66.7-46.6174.3-173-79.7000111.4K33 M34 A39 M40 E41K33-H37 PolarHBondContact O-N 2.99Å; M34-H37 WeakPolarHBondContact O-CB 3.4Å; M34-H37 PolarHBondContact O-N 3.25Å; M34-H37 VanDerWaalsContact O-N 3.12Å; H37-A39 VanDerWaalsContact C-N 3.31Å; H37-A39 PolarHBondContact O-N 2.97Å; H37-M40 WeakPolarHBondContact O-CB 3.48Å; H37-M40 PolarHBondContact O-N 2.82Å; H37-M40 VanDerWaalsContact O-N 3.12Å; H37-E41 PolarHBondContact O-N 3.13Å
38E91.1Very high87.7Confident89 Ų89108.1 Ų108.142%0.41654%0.535SS..Hα-helixtrans-62.1-37.4176.7-158.3-166137.400111.7M34 E35 R42M34-E38 WeakPolarHBondContact O-CB 3.4Å; M34-E38 PolarHBondContact O-N 2.98Å; E35-E38 PolarHBondContact O-N 3.48Å; E38-R42 VanDerWaalsContact CD-NH1 3.25Å; E38-R42 WeakPolarHBondContact O-CG 3.21Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 VanDerWaalsContact O-N 3.1Å; E38-R42 IonicContact OE1-CZ 3.17Å; E38-R42 IonicContact OE1-NH1 2.68Å; E38-R42 PolarHBondContact OE1-NH1 2.95Å; E38-R42 IonicContact OE1-NH2 3.07Å; E38-R42 PolarHBondContact OE1-NH2 3.45Å
39A89.3Confident88.2Confident43 Ų43108 Ų10836%0.35553%0.534SS..Hα-helixtrans-66.8-40.4171.800000112.5E35 H37 R42 L43E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.2Å; H37-A39 VanDerWaalsContact C-N 3.31Å; H37-A39 PolarHBondContact O-N 2.97Å; A39-R42 PolarHBondContact O-N 3.24Å; A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 2.98Å; A39-L43 PolarHBondContact O-N 2.95Å
40M90.6Very high88.2Confident138 Ų138112.4 Ų112.468%0.6855%0.547SS*.Hα-helixtrans-65-38.9176.9-169.2177.3-63.500112G36 H37 L43 K44G36-M40 WeakPolarHBondContact O-CB 3.33Å; G36-M40 PolarHBondContact O-N 2.68Å; H37-M40 WeakPolarHBondContact O-CB 3.48Å; H37-M40 PolarHBondContact O-N 2.82Å; H37-M40 VanDerWaalsContact O-N 3.12Å; M40-L43 PolarHBondContact O-N 3.46Å; M40-K44 PolarHBondContact O-N 3.01Å
41E91.1Very high87.7Confident114 Ų114115 Ų11553%0.53355%0.554SS.*Hα-helixtrans-63.3-45173.5-172.7176.5-162.500111.9H37 L43 K44 M45H37-E41 PolarHBondContact O-N 3.13Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.39Å; E41-K44 WeakPolarHBondContact O-CB 3.33Å; E41-K44 PolarHBondContact O-N 3.48Å; E41-K44 VanDerWaalsContact O-N 3.1Å; E41-M45 PolarHBondContact O-N 3.37Å
42R90.4Very high87.2Confident141 Ų141113.4 Ų113.453%0.53255%0.551SS.*Hα-helixtrans-57-43.8172.3-74.2178.8175.8105.91.7112.2E38 A39 M45 L46E38-R42 VanDerWaalsContact CD-NH1 3.25Å; E38-R42 WeakPolarHBondContact O-CG 3.21Å; E38-R42 PolarHBondContact O-N 2.96Å; E38-R42 VanDerWaalsContact O-N 3.1Å; E38-R42 IonicContact OE1-CZ 3.17Å; E38-R42 IonicContact OE1-NH1 2.68Å; E38-R42 PolarHBondContact OE1-NH1 2.95Å; E38-R42 IonicContact OE1-NH2 3.07Å; E38-R42 PolarHBondContact OE1-NH2 3.45Å; A39-R42 PolarHBondContact O-N 3.24Å; R42-M45 PolarHBondContact O-N 2.94Å; R42-L46 VanDerWaalsContact O-CG 3.32Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 2.86Å
43L91.6Very high86.5Confident123 Ų123112.3 Ų112.364%0.64455%0.546SS*.Hα-helixtrans-63.7-38.8175-94.6103.2000112.5A39 M40 E41 L46 A47A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 2.98Å; A39-L43 PolarHBondContact O-N 2.95Å; M40-L43 PolarHBondContact O-N 3.46Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.39Å; L43-L46 PolarHBondContact O-N 3.34Å; L43-A47 WeakPolarHBondContact O-CB 3.44Å; L43-A47 PolarHBondContact O-N 2.71Å
44K90.9Very high85.4Confident147 Ų147109.7 Ų109.764%0.63954%0.539SS*.Hα-helixtrans-62.5-44.1175.6-172.8-177.9178-173.70111.3M40 E41 A47 L48M40-K44 PolarHBondContact O-N 3.01Å; E41-K44 WeakPolarHBondContact O-CB 3.33Å; E41-K44 PolarHBondContact O-N 3.48Å; E41-K44 VanDerWaalsContact O-N 3.1Å; K44-A47 PolarHBondContact O-N 2.91Å; K44-L48 WeakPolarHBondContact O-CG 3.33Å; K44-L48 PolarHBondContact O-N 3Å
45M91.5Very high84.3Confident108 Ų108105.6 Ų105.653%0.53253%0.527SS..Hα-helixtrans-63.2-45.1175.4-70.7-60.3-69.300112.2E41 R42 A47 L48 L49E41-M45 PolarHBondContact O-N 3.37Å; R42-M45 PolarHBondContact O-N 2.94Å; M45-A47 VanDerWaalsContact C-N 3.29Å; M45-A47 PolarHBondContact O-N 3.26Å; M45-L48 PolarHBondContact O-N 3.46Å; M45-L48 HydrophobicContact SD-CD1 4.39Å; M45-L49 PolarHBondContact O-N 2.89Å
46L88.3Confident83.2Confident113 Ų113104.7 Ų104.759%0.59253%0.526SS*.Hα-helixtrans-62.4-34.7175.2-71.9167.9000112.6R42 L43 K50R42-L46 VanDerWaalsContact O-CG 3.32Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 2.86Å; L43-L46 PolarHBondContact O-N 3.34Å; L46-K50 WeakPolarHBondContact O-CB 3.38Å; L46-K50 PolarHBondContact O-N 3.2Å
47A86.2Confident81.5Confident46 Ų46108.2 Ų108.238%0.3854%0.535SS..Hα-helixtrans-70.2-34.117500000112.8L43 K44 M45 R51L43-A47 WeakPolarHBondContact O-CB 3.44Å; L43-A47 PolarHBondContact O-N 2.71Å; K44-A47 PolarHBondContact O-N 2.91Å; M45-A47 VanDerWaalsContact C-N 3.29Å; M45-A47 PolarHBondContact O-N 3.26Å; A47-R51 WeakPolarHBondContact O-CG 3.44Å; A47-R51 PolarHBondContact O-N 3.49Å; A47-R51 VanDerWaalsContact O-N 3.09Å
48L84.6Confident79.8Confident87 Ų87105.3 Ų105.346%0.45553%0.533SS..Hα-helixtrans-69.2-45.4173.5-70.4172000111.6K44 M45 K50 R51 K52K44-L48 WeakPolarHBondContact O-CG 3.33Å; K44-L48 PolarHBondContact O-N 3Å; M45-L48 PolarHBondContact O-N 3.46Å; M45-L48 HydrophobicContact SD-CD1 4.39Å; L48-K50 PolarHBondContact O-N 3.09Å; L48-R51 PolarHBondContact O-N 2.95Å; L48-K52 PolarHBondContact O-N 2.96Å
49L83.6Confident78.1Confident94 Ų94106.6 Ų106.649%0.49255%0.547SS..Hα-helixtrans-55.2-50.9172.1-80.4154.2000111.1M45 R51 K52 D53M45-L49 PolarHBondContact O-N 2.89Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3.24Å; L49-K52 WeakPolarHBondContact O-CA 3.38Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 2.95Å; L49-D53 PolarHBondContact O-N 3.44Å
50K82.3Confident76.4Confident142 Ų142111.2 Ų111.262%0.61757%0.565SS**Hα-helixtrans-60.7-32.8178.2-174173.1-178.8178.50113.7L46 L48 L54L46-K50 WeakPolarHBondContact O-CB 3.38Å; L46-K50 PolarHBondContact O-N 3.2Å; L48-K50 PolarHBondContact O-N 3.09Å; K50-L54 HydrophobicContact CG-CD1 4.36Å; K50-L54 WeakPolarHBondContact O-CB 3.37Å; K50-L54 WeakPolarHBondContact O-CD1 3.39Å; K50-L54 VanDerWaalsContact O-CG 3.24Å; K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.38Å
51R75.1Confident74.3Confident176 Ų176112.9 Ų112.966%0.66457%0.571SS**Hα-helixtrans-71.7-34.4172.6-76-179-166.7158.73.4112.2A47 L48 L49 L54 A55A47-R51 WeakPolarHBondContact O-CG 3.44Å; A47-R51 PolarHBondContact O-N 3.49Å; A47-R51 VanDerWaalsContact O-N 3.09Å; L48-R51 PolarHBondContact O-N 2.95Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3.24Å; R51-L54 PolarHBondContact O-N 3.02Å; R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 2.89Å
52K75.1Confident72Confident133 Ų133113.3 Ų113.358%0.57858%0.581SS**Hα-helixtrans-66.5-47.1174.3-177.1168.4177.7170.60111.1L48 L49 L54 A55 D56L48-K52 PolarHBondContact O-N 2.96Å; L49-K52 WeakPolarHBondContact O-CA 3.38Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 2.95Å; K52-L54 PolarHBondContact O-N 3.18Å; K52-A55 WeakPolarHBondContact O-CA 3.35Å; K52-A55 WeakPolarHBondContact O-CB 3.31Å; K52-A55 PolarHBondContact O-N 3.04Å; K52-D56 PolarHBondContact O-N 3.49Å
53D69.3Low69.7Low95 Ų95112.4 Ų112.451%0.50859%0.594SS.*Hα-helixtrans-57.9-37.6175.6-57.1-29.7000112L49 L57L49-D53 PolarHBondContact O-N 3.44Å; D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.35Å; D53-L57 VanDerWaalsContact O-N 3.07Å
54L65.5Low67Low104 Ų104110.4 Ų110.455%0.54560%0.603SS.*Hα-helixtrans-72.2-30.9175.1-73.9168.1000113.3K50 R51 K52 A58K50-L54 HydrophobicContact CG-CD1 4.36Å; K50-L54 WeakPolarHBondContact O-CB 3.37Å; K50-L54 WeakPolarHBondContact O-CD1 3.39Å; K50-L54 VanDerWaalsContact O-CG 3.24Å; K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.38Å; R51-L54 PolarHBondContact O-N 3.02Å; K52-L54 PolarHBondContact O-N 3.18Å; L54-A58 WeakPolarHBondContact O-CB 3.36Å; L54-A58 PolarHBondContact O-N 3.43Å
55A65.3Low64.3Low51 Ų51109.2 Ų109.242%0.42161%0.608SS.*Hα-helixtrans-73.8-42.9174.500000111.3R51 K52 L57 A58 V59R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 2.89Å; K52-A55 WeakPolarHBondContact O-CA 3.35Å; K52-A55 WeakPolarHBondContact O-CB 3.31Å; K52-A55 PolarHBondContact O-N 3.04Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.02Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.1Å; A55-V59 WeakPolarHBondContact O-CG2 3.29Å; A55-V59 PolarHBondContact O-N 2.87Å
56D62.3Low61.8Low88 Ų88112.7 Ų112.747%0.47163%0.628SS.*Hα-helixtrans-64.1-33.6176-67.5-18.5000111K52K52-D56 PolarHBondContact O-N 3.49Å
57L56.1Low59.2Low111 Ų111111.2 Ų111.258%0.58164%0.64SS**Hα-helixtrans-69.7-39.7168.9-84.3164.8000113.4D53 A55 V59 L60D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.35Å; D53-L57 VanDerWaalsContact O-N 3.07Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.02Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 2.93Å; L57-L60 PolarHBondContact O-N 3.43Å; L57-L60 VanDerWaalsContact O-N 3.15Å
58A56.5Low56.9Low68 Ų68117.4 Ų117.456%0.56267%0.667SS**Hα-helixtrans-68.2-26.917900000113.1L54 A55 L60L54-A58 WeakPolarHBondContact O-CB 3.36Å; L54-A58 PolarHBondContact O-N 3.43Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.1Å; A58-L60 VanDerWaalsContact C-N 3.25Å; A58-L60 PolarHBondContact O-N 3.34Å
59V54.5Low54.6Low116 Ų116116.1 Ų116.170%0.70367%0.674SS**THydrogen-bonded Turntrans-71.8-19.4173.6171.60000112.3A55 L57A55-V59 WeakPolarHBondContact O-CG2 3.29Å; A55-V59 PolarHBondContact O-N 2.87Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 2.93Å
60L53.8Low52.2Low140 Ų140121.9 Ų121.973%0.73370%0.695SS**THydrogen-bonded Turntrans-88-11178.4-73.6167.2000114.4L57 A58 V62L57-L60 PolarHBondContact O-N 3.43Å; L57-L60 VanDerWaalsContact O-N 3.15Å; A58-L60 VanDerWaalsContact C-N 3.25Å; A58-L60 PolarHBondContact O-N 3.34Å; L60-V62 PolarHBondContact O-N 3.46Å
61E46.6Very low49.7Very low173 Ų173118.3 Ų118.381%0.80870%0.699SS**  trans-100.472.6176.4-68.6-155.8154.600112.7
62V41.6Very low48.7Very low123 Ų123116 Ų11675%0.74571%0.707SS**  trans-117.5122.3160.7-1800000108.6L60 G64L60-V62 PolarHBondContact O-N 3.46Å; V62-G64 PolarHBondContact O-N 3.3Å; V62-G64 VanDerWaalsContact O-N 3.14Å
63P42.9Very low46.5Very low122 Ų122114.7 Ų114.779%0.79271%0.714SS**  trans-80.5100.4-170.730.6-34.3000112.5
64G34.5Very low44.7Very low81 Ų81116 Ų11684%0.83573%0.726SS**  trans-75.8131.3165.400000111.8V62V62-G64 PolarHBondContact O-N 3.3Å; V62-G64 VanDerWaalsContact O-N 3.14Å
65T35.3Very low43.1Very low122 Ų122116.4 Ų116.475%0.74874%0.737SS**  trans-96.7144.8-173.447.10000113.7
66L38.5Very low41.4Very low181 Ų181118.8 Ų118.895%0.94875%0.75SS**  trans63.6136.4167.1-81.580.7000119.1
67G33.2Very low40Very low83 Ų83122 Ų12286%0.85677%0.766SS**  trans15999.616500000113
68D37.3Very low38.8Very low176 Ų176123.8 Ų123.894%0.94177%0.771SS**  trans-85.3160.1-176.4-149-40.1000112.8
69G37.2Very low37.5Very low59 Ų59129.6 Ų129.661%0.60879%0.786SS**  trans118.998.7155.100000120.2
70K34.2Very low36.6Very low215 Ų215131.5 Ų131.594%0.93579%0.788SS**  65108.7127.4-145.5172.2-172.2177.20119.7
71G29.8Very low35.6Very low67 Ų67129.6 Ų129.669%0.69179%0.786SS**  trans-85.3-164.3160.600000113.2
72P53Low35Very low129 Ų129129.4 Ų129.484%0.83879%0.79SS**  cis-130.7-177.62.142.2-26.8000114.5
73S28.2Very low34.7Very low105 Ų105131.9 Ų131.973%0.73480%0.795SS**  trans140.1127.2138.4-163.40000116.7
74V31.7Very low34.1Very low123 Ų123130 Ų13075%0.74580%0.797SS**  trans64105.5141.3171.80000121.8
75S32.2Very low34Very low112 Ų112131.2 Ų131.278%0.78380%0.8SS**  73.4140.4128-60.90000125.4
76S30.4Very low33.8Very low100 Ų100130.3 Ų130.370%0.69981%0.805SS**  trans90.9100.6141.4-157.20000120.8
77I32.7Very low33.4Very low156 Ų156131.8 Ų131.880%0.880%0.799SS**  30.4101.9125.1-48.4170.5000117
78H30.3Very low33.5Very low149 Ų149134.8 Ų134.869%0.6979%0.791SS**  -165.5133.7125-145.5-108.3000109.7
79H30.1Very low33.3Very low190 Ų190135.1 Ų135.188%0.8879%0.787SS**  trans-145100.7159.1-150.3-82.5000110.4
80Q34.5Very low33.5Very low156 Ų156138.8 Ų138.873%0.72979%0.786SS**  trans-113.7128.5172.9-173.9165.312.300108.7
81S34.4Very low33.6Very low100 Ų100135.5 Ų135.570%0.69978%0.778SS**  trans-23.7136.5171.2-1720000117.6
82L33.4Very low33.7Very low169 Ų169139.5 Ų139.589%0.88578%0.784SS**  trans-153.5162.8131.9-149.456000113.8
83M34.3Very low32.5Very low175 Ų175137.4 Ų137.486%0.86279%0.785SS**  trans-73.1150.9-171.7-60.9-166.1-165.900115.9
84G30.6Very low32.5Very low81 Ų81137.5 Ų137.584%0.83579%0.786SS**  57.5115.2110.300000120.2
85A32Very low32.6Very low107 Ų107139.8 Ų139.888%0.88479%0.793SS**  trans-138135.9154.400000109.2
86A31.5Very low32.6Very low104 Ų104144.8 Ų144.886%0.8680%0.795SS**  trans-100.2150.3173.500000110.1
87Y30.3Very low32.6Very low212 Ų212148.4 Ų148.483%0.83181%0.805SS**  trans-144.4132.4154.175.8-86.3000110
88E36.1Very low32.4Very low146 Ų146144.1 Ų144.168%0.68280%0.8SS**  trans-87.3143.1158.3-90.8-148.8145.200107.7K90E88-K90 VanDerWaalsContact CD-NZ 3.33Å; E88-K90 WeakPolarHBondContact OE1-CE 3.32Å; E88-K90 IonicContact OE1-NZ 3.06Å; E88-K90 PolarHBondContact OE1-NZ 2.99Å; E88-K90 WeakPolarHBondContact OE2-CE 3.4Å; E88-K90 IonicContact OE2-NZ 2.76Å; E88-K90 PolarHBondContact OE2-NZ 3.09Å
89E32.7Very low32.3Very low182 Ų182141.7 Ų141.785%0.8580%0.799SS**  trans-143134.6145.4-159.5172.8122.300109.8
90K40.2Very low32.4Very low136 Ų136140.7 Ų140.759%0.59180%0.795SS**  trans-112.9141.8-179.9-66.3169.9176.6136.80108.7E88E88-K90 VanDerWaalsContact CD-NZ 3.33Å; E88-K90 WeakPolarHBondContact OE1-CE 3.32Å; E88-K90 IonicContact OE1-NZ 3.06Å; E88-K90 PolarHBondContact OE1-NZ 2.99Å; E88-K90 WeakPolarHBondContact OE2-CE 3.4Å; E88-K90 IonicContact OE2-NZ 2.76Å; E88-K90 PolarHBondContact OE2-NZ 3.09Å
91L38.2Very low32.3Very low147 Ų147138.4 Ų138.477%0.7780%0.796SS**  162.3141.8110-85.6174000114.7
92N31.4Very low32.1Very low151 Ų151139.6 Ų139.681%0.80780%0.799SS**  trans70.4126.6145.1-64.1-23.7000122.6
93G28.1Very low31.9Very low84 Ų84139.5 Ų139.587%0.86679%0.793SS**  trans174.286.3165.600000112.8
94S27.4Very low31.7Very low108 Ų108137 Ų13776%0.75579%0.788SS**  trans-87.4150.7-178.11780000112.9
95L33Very low31.6Very low170 Ų170136.2 Ų136.289%0.8978%0.78SS**  trans-168.1171.9131.6-101.1172.4000112.7
96R33.4Very low31.6Very low217 Ų217140.9 Ų140.982%0.81978%0.783SS**  trans-116.1179.4-148.6-76.9177.4161-165.7-2.8116.6
97L30.3Very low31.7Very low177 Ų177141.2 Ų141.293%0.92778%0.779SS**  trans101.9133160.5-73.295.9000115.7
98G27.9Very low31.8Very low66 Ų66140.4 Ų140.468%0.6878%0.78SS**  cis-159.9148.3-4.600000111
99S28.8Very low31.7Very low97 Ų97141.1 Ų141.168%0.67879%0.788SS**  54.1127105-156.60000114.5
100H32.5Very low31.6Very low170 Ų170136 Ų13679%0.78779%0.785SS**  cis-141.4156.429.8-63-109.6000110
101S31.5Very low31.5Very low107 Ų107138.9 Ų138.975%0.74880%0.797SS**  cis69.3129.837.5-137.50000114.9
102V29.7Very low31.4Very low126 Ų126139.4 Ų139.476%0.76480%0.796SS**  cis-170.1164.1-24.8119.20000107.6
103H29.3Very low31.6Very low167 Ų167139.2 Ų139.277%0.77380%0.795SS**  trans94.6117.8157-125.9-117.9000122.2
104V30.5Very low31.9Very low122 Ų122143.3 Ų143.374%0.73980%0.795SS**  trans44.4134.5134.4179.30000120.3
105G29.5Very low32.2Very low65 Ų65144.9 Ų144.967%0.6779%0.792SS**  cis142.6144.5-1.200000112.2
106Q31.6Very low32.2Very low205 Ų205143.2 Ų143.296%0.95878%0.784SS**  trans-164.7149.2162.1-116177.724.600112.8
107S32.3Very low32.3Very low110 Ų110140 Ų14077%0.76978%0.778SS**  trans-85.7152-168.7-38.60000114.7
108K33.5Very low33Very low195 Ų195137.5 Ų137.585%0.84877%0.773SS**  178.8148.6112.3-96.1162.7-175.11790114.2
109N33Very low33.8Very low162 Ų162140.5 Ų140.587%0.86678%0.777SS**  trans65.8127.1163.5-65.28.3000119.5
110G31.1Very low34.4Very low75 Ų75141.9 Ų141.977%0.77378%0.777SS**  trans155.917.6142.200000123.2
111K38.9Very low34.3Very low195 Ų195142.1 Ų142.185%0.84878%0.781SS**  trans66.6132.5172-75.4-177.7169.7-179.40118.9
112E35.2Very low34.6Very low159 Ų159142 Ų14274%0.74378%0.78SS**  trans-54.4145.5168.354-95.794.100113.3
113N35.9Very low34.8Very low147 Ų147141.1 Ų141.179%0.78679%0.786SS**  cis68.9113.250-107.9-32.4000116
114I35.5Very low34.8Very low169 Ų169136.7 Ų136.787%0.86779%0.786SS**  trans-144.7138137-161.164.3000109.2
115M33.4Very low35.1Very low141 Ų141142 Ų14270%0.69579%0.792SS**  trans-73.4174.8173.9-75.1-175.466.100109.7
116D32.9Very low35.2Very low136 Ų136150.1 Ų150.173%0.72780%0.803SS**  cis-167.417448.8-1480.5000116.7
117E35.7Very low35Very low149 Ų149146.4 Ų146.470%0.69680%0.798SS**  trans-45150.8-170.3-156.1167.4109.100119.9
118P45.2Very low34.8Very low125 Ų125150 Ų15081%0.81280%0.803SS**PPolyproline II helixtrans-85.8122.1169.733.5-32.3000112.8
119V43.6Very low34.7Very low128 Ų128146.4 Ų146.478%0.77680%0.797SS**PPolyproline II helixtrans-88.6123.5179.8-179.70000112.2M121V119-M121 HydrophobicContact CG1-CG 4.45Å
120D41.7Very low34.6Very low127 Ų127145.8 Ų145.868%0.67979%0.793SS**PPolyproline II helixtrans-93133.7159.8173.627.3000110
121M30.8Very low34.5Very low174 Ų174152.4 Ų152.486%0.85780%0.795SS**  trans-151119160.4-85.5-60.115300110.3V119V119-M121 HydrophobicContact CG1-CG 4.45Å
122S36.6Very low34.2Very low104 Ų104149.1 Ų149.173%0.72779%0.787SS**  trans-90.7134.2175.8-74.30000113.6
123A35.1Very low34Very low108 Ų108152.7 Ų152.789%0.89379%0.794SS**  trans52.1126.5151.400000121.7
124G28.3Very low33.9Very low75 Ų75152.4 Ų152.477%0.77379%0.788SS**  trans-165.7109.5161.400000114.9
125R37.8Very low33.8Very low232 Ų232150.1 Ų150.188%0.87578%0.782SS**  trans-78.2133.1162.7-62.1-163-128.4-90.48.1110.7
126R31.4Very low34.2Very low237 Ų237149.2 Ų149.289%0.89479%0.786SS**  trans-150.9162148.2-56.2-75.9-176.7-89.2-0.1108.2
127C27.8Very low34.3Very low127 Ų127148 Ų14886%0.85879%0.789SS**  trans-112.7167.1-177.2-65.10000112.5
128E28Very low34.7Very low186 Ų186146.4 Ų146.487%0.86979%0.791SS**  trans89.8153.3141-143179.7-143.900121.5
129V31.1Very low34.4Very low118 Ų118147.9 Ų147.972%0.71579%0.792SS**  trans89.286.4162.1-164.20000119.6
130D30.8Very low34.3Very low149 Ų149147 Ų14780%0.79779%0.786SS**  58153.4112.2-131.1-52.2000124.2
131R30Very low34.2Very low214 Ų214148.5 Ų148.581%0.80879%0.793SS**  trans9391.6161.3-58.6-168.969.4-165.70.4122.8
132D32.2Very low34.5Very low127 Ų127146 Ų14668%0.67978%0.782SS**  56.7112.6106.1-139.5-20.3000122
133R31.1Very low34.5Very low234 Ų234149.1 Ų149.188%0.88379%0.79SS**  -177.2123.8123.7-110.7178.2160.9-179.3-7.2118
134Q33.9Very low35.1Very low141 Ų141148.9 Ų148.966%0.65978%0.781SS**  trans19.1120.2145.7-100.169.134.700125
135T32.4Very low35.7Very low121 Ų121152.8 Ų152.874%0.74279%0.785SS**  53160.7115.262.40000122.6
136P42.7Very low35.9Very low122 Ų122148.3 Ų148.379%0.79278%0.778SS**  cis-136.9172.117.341-22.1000118.8
137S34.7Very low36.8Very low111 Ų111145.1 Ų145.178%0.77677%0.773SS**  trans-82.9165.4170.6-47.20000113.2
138P43.8Very low37.2Very low115 Ų115143 Ų14375%0.74776%0.764SS**  -138.2169.2101.625.8-6.4000112.4
139D39.5Very low37.4Very low156 Ų156139.4 Ų139.483%0.83476%0.76SS**  cis-147.8170.43.5-119.3-31000111.6
140V41.4Very low37.7Very low108 Ų108139.1 Ų139.166%0.65576%0.763SS**  trans-91.6135-167172.80000114.4I142V140-I142 HydrophobicContact CG1-CB 4.21Å; V140-I142 HydrophobicContact CG1-CD1 4.32Å; V140-I142 HydrophobicContact CG1-CG1 4.07Å
141I39.1Very low38.2Very low159 Ų159137.6 Ų137.682%0.81576%0.762SS**  trans-133.4100136.7-56.3-178.1000108.4
142I37.8Very low38.7Very low122 Ų122137.7 Ų137.763%0.62676%0.762SS**  trans-105.9122.2168.7-68.3168.2000107.1V140 S144V140-I142 HydrophobicContact CG1-CB 4.21Å; V140-I142 HydrophobicContact CG1-CD1 4.32Å; V140-I142 HydrophobicContact CG1-CG1 4.07Å; I142-S144 WeakPolarHBondContact CG2-OG 3.49Å
143L35.8Very low39.3Very low170 Ų170138 Ų13889%0.8977%0.769SS**  trans-104.7105.2162.7-66.6177.6000107.4
144S47.8Very low40.1Very low103 Ų103132.4 Ų132.472%0.7276%0.76SS**  trans-114.9116.2176.5-71.20000110.7I142I142-S144 WeakPolarHBondContact CG2-OG 3.49Å
145D41.7Very low40.7Very low157 Ų157128.5 Ų128.584%0.8475%0.747SS**  trans-161.5140.3146.9-135.3-13.9000105.6
146N42Very low41.7Very low138 Ų138130.2 Ų130.274%0.73874%0.74SS**  cis-146.8138.519.9162.8106.2000110.6
147E49.6Very low42.4Very low170 Ų170129.3 Ų129.379%0.79473%0.734SS**  trans-71.6142.8-179.5-103.5-97.975.500114.7
148A36Very low43.3Very low81 Ų81128.6 Ų128.667%0.66972%0.719SS**  164.6133.3121.600000114.2
149S31.2Very low43.7Very low112 Ų112128.8 Ų128.878%0.78371%0.709SS**  trans71.1111.4161.3-65.10000120.3
150S38.9Very low44.5Very low111 Ų111127.9 Ų127.978%0.77669%0.694SS**  trans-55.6146.8153.2-169.30000111R152S150-R152 PolarHBondContact OG-N 2.87Å
151P41.4Very low45.2Very low118 Ų118128 Ų12877%0.76669%0.689SS**  -136.6133.9102.935.7-25.6000114.8
152R39.1Very low46Very low215 Ų215125.9 Ų125.981%0.81168%0.676SS**  trans54.5104.3136-154177-161.2-152.84.8116.9S150 T154S150-R152 PolarHBondContact OG-N 2.87Å; R152-T154 PolarHBondContact O-N 3.38Å
153T45.8Very low46.9Very low134 Ų134125 Ų12582%0.82267%0.669SS**  trans-23.2100.2161.854.30000114
154T48.5Very low47.9Very low116 Ų116119.3 Ų119.371%0.71265%0.646SS**  trans-89.9115.216158.10000106.7R152R152-T154 PolarHBondContact O-N 3.38Å
155P45.3Very low48.8Very low59 Ų59118.3 Ų118.338%0.38363%0.633SS.*  trans-63143.7-177-15.325.9000109.5E159 R160P155-E159 HydrophobicContact CB-CB 4.12Å; P155-R160 HydrophobicContact CB-CG 4.16Å; P155-R160 HydrophobicContact CG-CG 4.29Å; P155-R160 PolarHBondContact O-NE 2.93Å; P155-R160 PolarHBondContact O-NH2 3.41Å
156R52.7Low49.9Very low158 Ų158116.3 Ų116.360%0.59662%0.622SS**  trans-52.5145.6177-148.2179.4-166.1-143.611.2108.6E158 E159 R160R156-E158 WeakPolarHBondContact CD-OE2 3.16Å; R156-E158 IonicContact CZ-OE2 3.73Å; R156-E158 IonicContact NE-OE2 3.9Å; R156-E158 IonicContact NH1-OE2 2.78Å; R156-E158 PolarHBondContact NH1-OE2 2.97Å; R156-E158 PolarHBondContact O-N 3.29Å; R156-E159 HydrophobicContact CB-CB 4.28Å; R156-E159 HydrophobicContact CB-CG 4.16Å; R156-E159 WeakPolarHBondContact CB-OE2 3.49Å; R156-E159 PolarHBondContact N-OE2 3.38Å; R156-E159 WeakPolarHBondContact O-CA 3.42Å; R156-E159 WeakPolarHBondContact O-CB 3.2Å; R156-E159 PolarHBondContact O-N 3.42Å; R156-R160 PolarHBondContact O-N 2.92Å
157P58.2Low51.2Low102 Ų102113.8 Ų113.866%0.66261%0.605SS**Hα-helixtrans-53.9-34-179.3-28.736.3000113R160 M161P157-R160 PolarHBondContact O-N 3.39Å; P157-M161 PolarHBondContact O-N 2.8Å
158E53.2Low52.2Low97 Ų97109.2 Ų109.245%0.45359%0.585SS.*Hα-helixtrans-66.7-44.9173.5-65.5154.6163.200112.5R156 R160 M161 H162R156-E158 WeakPolarHBondContact CD-OE2 3.16Å; R156-E158 IonicContact CZ-OE2 3.73Å; R156-E158 IonicContact NE-OE2 3.9Å; R156-E158 IonicContact NH1-OE2 2.78Å; R156-E158 PolarHBondContact NH1-OE2 2.97Å; R156-E158 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.1Å; E158-M161 PolarHBondContact O-N 3.2Å; E158-H162 PolarHBondContact O-N 3.24Å; E158-H162 PolarHBondContact O-ND1 2.91Å
159E53.4Low54Low118 Ų118107.8 Ų107.855%0.55156%0.564SS**Hα-helixtrans-62.5-40.4173.2-75.4177.3128.800111.5P155 R156 M161 H162 Q163P155-E159 HydrophobicContact CB-CB 4.12Å; R156-E159 HydrophobicContact CB-CB 4.28Å; R156-E159 HydrophobicContact CB-CG 4.16Å; R156-E159 WeakPolarHBondContact CB-OE2 3.49Å; R156-E159 PolarHBondContact N-OE2 3.38Å; R156-E159 WeakPolarHBondContact O-CA 3.42Å; R156-E159 WeakPolarHBondContact O-CB 3.2Å; R156-E159 PolarHBondContact O-N 3.42Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 3.42Å; E159-H162 PolarHBondContact O-N 3.27Å; E159-Q163 WeakPolarHBondContact O-CB 3.37Å; E159-Q163 PolarHBondContact O-N 3.47Å
160R55.3Low56Low137 Ų137108.5 Ų108.552%0.51755%0.553SS.*Hα-helixtrans-61-38.7175.1-110.9177.7-79.6-176.2-5.4111.9P155 R156 P157 E158 A164P155-R160 HydrophobicContact CB-CG 4.16Å; P155-R160 HydrophobicContact CG-CG 4.29Å; P155-R160 PolarHBondContact O-NE 2.93Å; P155-R160 PolarHBondContact O-NH2 3.41Å; R156-R160 PolarHBondContact O-N 2.92Å; P157-R160 PolarHBondContact O-N 3.39Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.1Å; R160-A164 VanDerWaalsContact O-CB 3.31Å; R160-A164 WeakPolarHBondContact O-CB 3.43Å; R160-A164 PolarHBondContact O-N 3.41Å
161M57.1Low57.5Low110 Ų110107.4 Ų107.454%0.54256%0.56SS.*Hα-helixtrans-71.6-41.8175.7-173.1176.567.200112.5P157 E158 E159 A164 N165P157-M161 PolarHBondContact O-N 2.8Å; E158-M161 PolarHBondContact O-N 3.2Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 3.42Å; M161-A164 PolarHBondContact O-N 2.97Å; M161-N165 WeakPolarHBondContact O-CB 3.42Å; M161-N165 PolarHBondContact O-N 3.3Å; M161-N165 PolarHBondContact O-ND2 2.9Å
162H55.8Low59.2Low116 Ų116105.3 Ų105.354%0.53754%0.538SS..Hα-helixtrans-67.2-39.8175.4-73.782.2000111.7E158 E159 N165 L166E158-H162 PolarHBondContact O-N 3.24Å; E158-H162 PolarHBondContact O-ND1 2.91Å; E159-H162 PolarHBondContact O-N 3.27Å; H162-N165 PolarHBondContact O-N 2.98Å; H162-L166 VanDerWaalsContact O-CG 3.32Å; H162-L166 WeakPolarHBondContact O-CG 3.49Å; H162-L166 PolarHBondContact O-N 3.41Å
163Q55.2Low61.2Low104 Ų10499 Ų9949%0.48652%0.523SS..Hα-helixtrans-61.3-48.1172.5-16870.744.200110.6E159 N165 L166 E167E159-Q163 WeakPolarHBondContact O-CB 3.37Å; E159-Q163 PolarHBondContact O-N 3.47Å; Q163-N165 VanDerWaalsContact C-N 3.33Å; Q163-N165 PolarHBondContact O-N 3.13Å; Q163-L166 PolarHBondContact O-N 3.01Å; Q163-L166 VanDerWaalsContact O-N 3.1Å; Q163-E167 HydrophobicContact CG-CG 4.38Å; Q163-E167 PolarHBondContact NE2-OE1 3.35Å; Q163-E167 WeakPolarHBondContact O-CG 3.32Å; Q163-E167 PolarHBondContact O-N 3.36Å
164A57.8Low62.8Low50 Ų5095.4 Ų95.441%0.41351%0.513SS..Hα-helixtrans-58.2-44176.500000112.1R160 M161 L166 E167 I168R160-A164 VanDerWaalsContact O-CB 3.31Å; R160-A164 WeakPolarHBondContact O-CB 3.43Å; R160-A164 PolarHBondContact O-N 3.41Å; M161-A164 PolarHBondContact O-N 2.97Å; A164-L166 VanDerWaalsContact C-N 3.33Å; A164-L166 PolarHBondContact O-N 2.95Å; A164-E167 PolarHBondContact O-N 3.14Å; A164-I168 WeakPolarHBondContact O-CD1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.39Å; A164-I168 PolarHBondContact O-N 3.32Å
165N66.2Low64.5Low81 Ų8197 Ų9743%0.43351%0.513SS..Hα-helixtrans-62.1-36.7174.8-76.3-35000112.9M161 H162 Q163 F169M161-N165 WeakPolarHBondContact O-CB 3.42Å; M161-N165 PolarHBondContact O-N 3.3Å; M161-N165 PolarHBondContact O-ND2 2.9Å; H162-N165 PolarHBondContact O-N 2.98Å; Q163-N165 VanDerWaalsContact C-N 3.33Å; Q163-N165 PolarHBondContact O-N 3.13Å; N165-F169 VanDerWaalsContact O-CD2 3.25Å; N165-F169 WeakPolarHBondContact O-CD2 3.46Å
166L65.6Low66.2Low116 Ų11698.7 Ų98.761%0.60752%0.516SS*.Hα-helixtrans-72.4-43.1176.1-72168.7000112.3H162 Q163 A164 I168 F169 K170H162-L166 VanDerWaalsContact O-CG 3.32Å; H162-L166 WeakPolarHBondContact O-CG 3.49Å; H162-L166 PolarHBondContact O-N 3.41Å; Q163-L166 PolarHBondContact O-N 3.01Å; Q163-L166 VanDerWaalsContact O-N 3.1Å; A164-L166 VanDerWaalsContact C-N 3.33Å; A164-L166 PolarHBondContact O-N 2.95Å; L166-I168 VanDerWaalsContact C-N 3.26Å; L166-I168 PolarHBondContact O-N 2.9Å; L166-F169 PolarHBondContact O-N 3.13Å; L166-F169 VanDerWaalsContact O-N 3.08Å; L166-K170 PolarHBondContact O-N 3.42Å
167E69.6Low67.7Low85 Ų8596.4 Ų96.440%0.39751%0.507SS..Hα-helixtrans-61.1-35.2175.1-64.3-57.6133.300111.4Q163 A164 F169 K170Q163-E167 HydrophobicContact CG-CG 4.38Å; Q163-E167 PolarHBondContact NE2-OE1 3.35Å; Q163-E167 WeakPolarHBondContact O-CG 3.32Å; Q163-E167 PolarHBondContact O-N 3.36Å; A164-E167 PolarHBondContact O-N 3.14Å; E167-F169 PolarHBondContact O-N 2.95Å; E167-F169 VanDerWaalsContact O-N 3.16Å; E167-K170 WeakPolarHBondContact O-CB 3.42Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 IonicContact OE1-NZ 3.5Å; E167-K170 PolarHBondContact OE1-NZ 2.99Å; E167-K170 WeakPolarHBondContact OE2-CD 3.44Å; E167-K170 IonicContact OE2-NZ 2.7Å; E167-K170 PolarHBondContact OE2-NZ 3.1Å
168I69.9Low69Low73 Ų7396 Ų9637%0.37450%0.496SS..Hα-helixtrans-58.2-26.9174.4-75.2164.9000112.7A164 L166 K172 M180A164-I168 WeakPolarHBondContact O-CD1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.39Å; A164-I168 PolarHBondContact O-N 3.32Å; L166-I168 VanDerWaalsContact C-N 3.26Å; L166-I168 PolarHBondContact O-N 2.9Å; I168-K172 WeakPolarHBondContact O-CD 3.39Å; I168-K172 WeakPolarHBondContact O-CE 3.27Å; I168-K172 PolarHBondContact O-NZ 3.49Å; I168-M180 HydrophobicContact CG2-SD 3.49Å; I168-M180 WeakPolarHBondContact CG2-SD 3.31Å
169F72.8Confident70.7Confident51 Ų5197.6 Ų97.622%0.22450%0.504CS..THydrogen-bonded Turntrans-106.82.2178.9-67.2-65.1000114.9N165 L166 E167 R177 M180 I181 L184N165-F169 VanDerWaalsContact O-CD2 3.25Å; N165-F169 WeakPolarHBondContact O-CD2 3.46Å; L166-F169 PolarHBondContact O-N 3.13Å; L166-F169 VanDerWaalsContact O-N 3.08Å; E167-F169 PolarHBondContact O-N 2.95Å; E167-F169 VanDerWaalsContact O-N 3.16Å; F169-R177 HydrophobicContact CD1-CB 4.42Å; F169-R177 HydrophobicContact CD1-CG 3.77Å; F169-R177 HydrophobicContact CE1-CG 4.22Å; F169-R177 PolarHBondContact O-NH2 2.84Å; F169-M180 HydrophobicContact CD1-SD 4.45Å; F169-M180 HydrophobicContact CE1-CB 4.03Å; F169-M180 HydrophobicContact CE1-CG 3.73Å; F169-M180 HydrophobicContact CE1-SD 4.18Å; F169-M180 HydrophobicContact CZ-CG 4.28Å; F169-I181 HydrophobicContact CE1-CG1 3.95Å; F169-I181 HydrophobicContact CZ-CG1 4.07Å; F169-L184 HydrophobicContact CZ-CD1 3.93Å
170K74.1Confident72.1Confident128 Ų12894.9 Ų94.956%0.55749%0.492SS*.SBendtrans-83143.5-177.9-160.3-178.1-175.6-1780110.6L166 E167 K172L166-K170 PolarHBondContact O-N 3.42Å; E167-K170 WeakPolarHBondContact O-CB 3.42Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 IonicContact OE1-NZ 3.5Å; E167-K170 PolarHBondContact OE1-NZ 2.99Å; E167-K170 WeakPolarHBondContact OE2-CD 3.44Å; E167-K170 IonicContact OE2-NZ 2.7Å; E167-K170 PolarHBondContact OE2-NZ 3.1Å; K170-K172 PolarHBondContact O-N 3.34Å
171G71.3Confident73.7Confident88 Ų8890.7 Ų90.791%0.90748%0.479SS*.SBendtrans70.3-13.7-178.800000116.5
172K77.3Confident75.4Confident74 Ų7492 Ų9232%0.32248%0.482SS..  trans-80.9143179.3-68174.8-175.9166.50112.3I168 K170 E176 M180I168-K172 WeakPolarHBondContact O-CD 3.39Å; I168-K172 WeakPolarHBondContact O-CE 3.27Å; I168-K172 PolarHBondContact O-NZ 3.49Å; K170-K172 PolarHBondContact O-N 3.34Å; K172-E176 HydrophobicContact CB-CB 4.16Å; K172-M180 HydrophobicContact CD-SD 4.35Å; K172-M180 PolarHBondContact NZ-SD 2.92Å
173T80.1Confident77Confident81 Ų8189.3 Ų89.350%0.49748%0.479SS..  trans-65163.2173.864.20000111.6E175 E176 R177T173-E175 PolarHBondContact O-N 3.12Å; T173-E176 WeakPolarHBondContact CB-OE2 3.36Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.45Å; T173-E176 PolarHBondContact N-OE2 3.01Å; T173-E176 PolarHBondContact O-N 3.12Å; T173-E176 VanDerWaalsContact OG1-CD 3.28Å; T173-E176 VanDerWaalsContact OG1-CG 3.29Å; T173-E176 WeakPolarHBondContact OG1-CG 3.39Å; T173-E176 PolarHBondContact OG1-N 2.93Å; T173-E176 PolarHBondContact OG1-OE2 3.2Å; T173-R177 WeakPolarHBondContact O-CB 3.41Å; T173-R177 PolarHBondContact O-N 3.32Å
174G80.4Confident78.8Confident59 Ų5988.2 Ų88.261%0.60848%0.476SS*.Hα-helixtrans-58.6-34.2-179.800000113.4Q178G174-Q178 WeakPolarHBondContact O-CB 3.48Å; G174-Q178 PolarHBondContact O-N 2.85Å
175E82.2Confident80.2Confident150 Ų15094 Ų9470%0.70149%0.487SS*.Hα-helixtrans-74.4-45-179.9-59.4-170.8163.400112T173 R177 Q178 Q179T173-E175 PolarHBondContact O-N 3.12Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.97Å; E175-Q178 CarbonylContact O-C 3.58Å; E175-Q178 WeakPolarHBondContact O-CA 3.36Å; E175-Q178 WeakPolarHBondContact O-CB 3.38Å; E175-Q178 PolarHBondContact O-N 3.42Å; E175-Q179 WeakPolarHBondContact O-CG 3.34Å; E175-Q179 PolarHBondContact O-N 2.9Å
176E82.9Confident81.5Confident95 Ų9594 Ų9444%0.44449%0.485SS..Hα-helixtrans-61.7-41.6174.9-67.8166.9123.800111.6K172 T173 Q178 Q179 M180K172-E176 HydrophobicContact CB-CB 4.16Å; T173-E176 WeakPolarHBondContact CB-OE2 3.36Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.45Å; T173-E176 PolarHBondContact N-OE2 3.01Å; T173-E176 PolarHBondContact O-N 3.12Å; T173-E176 VanDerWaalsContact OG1-CD 3.28Å; T173-E176 VanDerWaalsContact OG1-CG 3.29Å; T173-E176 WeakPolarHBondContact OG1-CG 3.39Å; T173-E176 PolarHBondContact OG1-N 2.93Å; T173-E176 PolarHBondContact OG1-OE2 3.2Å; E176-Q178 VanDerWaalsContact C-N 3.28Å; E176-Q178 PolarHBondContact O-N 3.45Å; E176-Q179 PolarHBondContact O-N 3.33Å; E176-M180 WeakPolarHBondContact O-CB 3.5Å; E176-M180 PolarHBondContact O-N 3.48Å
177R83.5Confident82.8Confident110 Ų11094.3 Ų94.342%0.41548%0.483SS..Hα-helixtrans-57.9-43.2171.3178.2176.9-61.9164.13.3110.9F169 T173 E175 M180 I181F169-R177 HydrophobicContact CD1-CB 4.42Å; F169-R177 HydrophobicContact CD1-CG 3.77Å; F169-R177 HydrophobicContact CE1-CG 4.22Å; F169-R177 PolarHBondContact O-NH2 2.84Å; T173-R177 WeakPolarHBondContact O-CB 3.41Å; T173-R177 PolarHBondContact O-N 3.32Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 2.97Å; R177-M180 PolarHBondContact O-N 2.9Å; R177-I181 HydrophobicContact CG-CD1 3.97Å; R177-I181 WeakPolarHBondContact O-CD1 3.27Å; R177-I181 VanDerWaalsContact O-CG1 3.27Å; R177-I181 WeakPolarHBondContact O-CG1 3.47Å; R177-I181 PolarHBondContact O-N 3.46Å
178Q85.8Confident84Confident94 Ų9495 Ų9544%0.43949%0.489SS..Hα-helixtrans-69.8-34.9-179.5-170.357.18500113G174 E175 E176 K182G174-Q178 WeakPolarHBondContact O-CB 3.48Å; G174-Q178 PolarHBondContact O-N 2.85Å; E175-Q178 CarbonylContact O-C 3.58Å; E175-Q178 WeakPolarHBondContact O-CA 3.36Å; E175-Q178 WeakPolarHBondContact O-CB 3.38Å; E175-Q178 PolarHBondContact O-N 3.42Å; E176-Q178 VanDerWaalsContact C-N 3.28Å; E176-Q178 PolarHBondContact O-N 3.45Å; Q178-K182 WeakPolarHBondContact O-CG 3.28Å; Q178-K182 PolarHBondContact O-N 3.37Å
179Q88.6Confident85.2Confident130 Ų13097.8 Ų97.861%0.60750%0.495SS*.Hα-helixtrans-67-44.5172.1-69179.221.100111.4E175 E176 I181 K182 A183E175-Q179 WeakPolarHBondContact O-CG 3.34Å; E175-Q179 PolarHBondContact O-N 2.9Å; E176-Q179 PolarHBondContact O-N 3.33Å; Q179-I181 VanDerWaalsContact C-N 3.35Å; Q179-I181 PolarHBondContact O-N 2.86Å; Q179-K182 WeakPolarHBondContact O-CA 3.42Å; Q179-K182 WeakPolarHBondContact O-CB 3.46Å; Q179-K182 PolarHBondContact O-N 3.39Å; Q179-A183 PolarHBondContact O-N 3.11Å
180M82.6Confident86.3Confident60 Ų60100 Ų10030%0.29651%0.509SS..Hα-helixtrans-62.4-39.6177.2-175.3152.7-78.400112.5I168 F169 K172 E176 R177 K182 A183 L184I168-M180 HydrophobicContact CG2-SD 3.49Å; I168-M180 WeakPolarHBondContact CG2-SD 3.31Å; F169-M180 HydrophobicContact CD1-SD 4.45Å; F169-M180 HydrophobicContact CE1-CB 4.03Å; F169-M180 HydrophobicContact CE1-CG 3.73Å; F169-M180 HydrophobicContact CE1-SD 4.18Å; F169-M180 HydrophobicContact CZ-CG 4.28Å; K172-M180 HydrophobicContact CD-SD 4.35Å; K172-M180 PolarHBondContact NZ-SD 2.92Å; E176-M180 WeakPolarHBondContact O-CB 3.5Å; E176-M180 PolarHBondContact O-N 3.48Å; R177-M180 PolarHBondContact O-N 2.9Å; M180-K182 VanDerWaalsContact C-N 3.31Å; M180-K182 PolarHBondContact O-N 3.35Å; M180-A183 PolarHBondContact O-N 2.69Å; M180-L184 HydrophobicContact CG-CD1 4.17Å; M180-L184 WeakPolarHBondContact O-CG 3.43Å; M180-L184 PolarHBondContact O-N 3.48Å
181I88.8Confident87.2Confident49 Ų4997.8 Ų97.825%0.25150%0.5SS..Hα-helixtrans-63.2-35.7172.3-69.7164.3000111.7F169 R177 Q179 R185F169-I181 HydrophobicContact CE1-CG1 3.95Å; F169-I181 HydrophobicContact CZ-CG1 4.07Å; R177-I181 HydrophobicContact CG-CD1 3.97Å; R177-I181 WeakPolarHBondContact O-CD1 3.27Å; R177-I181 VanDerWaalsContact O-CG1 3.27Å; R177-I181 WeakPolarHBondContact O-CG1 3.47Å; R177-I181 PolarHBondContact O-N 3.46Å; Q179-I181 VanDerWaalsContact C-N 3.35Å; Q179-I181 PolarHBondContact O-N 2.86Å; I181-R185 WeakPolarHBondContact O-CB 3.5Å; I181-R185 VanDerWaalsContact O-CG 3.23Å; I181-R185 WeakPolarHBondContact O-CG 3.26Å; I181-R185 PolarHBondContact O-N 2.98Å
182K92.6Very high88.3Confident139 Ų13998.9 Ų98.960%0.60448%0.482SS*.Hα-helixtrans-68-44174.7-73.7176.2178.4-1770111.5Q178 Q179 M180 R185 E186Q178-K182 WeakPolarHBondContact O-CG 3.28Å; Q178-K182 PolarHBondContact O-N 3.37Å; Q179-K182 WeakPolarHBondContact O-CA 3.42Å; Q179-K182 WeakPolarHBondContact O-CB 3.46Å; Q179-K182 PolarHBondContact O-N 3.39Å; M180-K182 VanDerWaalsContact C-N 3.31Å; M180-K182 PolarHBondContact O-N 3.35Å; K182-R185 PolarHBondContact O-N 3.49Å; K182-E186 PolarHBondContact O-N 2.83Å; K182-E186 VanDerWaalsContact O-N 3.12Å
183A90.4Very high89Confident58 Ų5898 Ų9848%0.47949%0.488SS..Hα-helixtrans-59.9-49.8177.500000111.9Q179 M180 R185 E186 E187Q179-A183 PolarHBondContact O-N 3.11Å; M180-A183 PolarHBondContact O-N 2.69Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.99Å; A183-E186 PolarHBondContact O-N 3.18Å; A183-E186 VanDerWaalsContact O-N 3.1Å; A183-E187 PolarHBondContact O-N 2.9Å
184L92.1Very high89.7Confident81 Ų81101.1 Ų101.142%0.42449%0.491SS..Hα-helixtrans-63.1-30.3178.4-69.4168.2000113.2F169 M180 L188F169-L184 HydrophobicContact CZ-CD1 3.93Å; M180-L184 HydrophobicContact CG-CD1 4.17Å; M180-L184 WeakPolarHBondContact O-CG 3.43Å; M180-L184 PolarHBondContact O-N 3.48Å; L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 PolarHBondContact O-N 3.05Å
185R87.4Confident90.4Very high172 Ų172103.4 Ų103.465%0.64949%0.488SS*.Hα-helixtrans-70.2-37.5173.3-77.9173.5179.7-170.20.9112.6I181 K182 A183 R189I181-R185 WeakPolarHBondContact O-CB 3.5Å; I181-R185 VanDerWaalsContact O-CG 3.23Å; I181-R185 WeakPolarHBondContact O-CG 3.26Å; I181-R185 PolarHBondContact O-N 2.98Å; K182-R185 PolarHBondContact O-N 3.49Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.99Å; R185-R189 PolarHBondContact O-N 2.97Å
186E93.4Very high91.1Very high82 Ų82100.3 Ų100.338%0.38348%0.48SS..Hα-helixtrans-72.8-39.3176.4-176.556.4-160.400111.3K182 A183 L188 R189 L190K182-E186 PolarHBondContact O-N 2.83Å; K182-E186 VanDerWaalsContact O-N 3.12Å; A183-E186 PolarHBondContact O-N 3.18Å; A183-E186 VanDerWaalsContact O-N 3.1Å; E186-L188 PolarHBondContact O-N 3.39Å; E186-R189 VanDerWaalsContact CD-NE 3.33Å; E186-R189 WeakPolarHBondContact O-CB 3.42Å; E186-R189 PolarHBondContact O-N 3.03Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 2.65Å; E186-R189 VanDerWaalsContact OE1-CZ 3.28Å; E186-R189 IonicContact OE1-NE 3.4Å; E186-R189 PolarHBondContact OE1-NE 2.66Å; E186-R189 VanDerWaalsContact OE1-NE 3.1Å; E186-R189 IonicContact OE1-NH2 3.61Å; E186-R189 PolarHBondContact OE1-NH2 2.7Å; E186-R189 IonicContact OE2-CZ 3.28Å; E186-R189 IonicContact OE2-NE 3.1Å; E186-R189 PolarHBondContact OE2-NE 3.4Å; E186-R189 IonicContact OE2-NH2 2.66Å; E186-L190 HydrophobicContact CG-CD1 4.48Å; E186-L190 WeakPolarHBondContact O-CG 3.09Å; E186-L190 PolarHBondContact O-N 3.14Å
187E93.2Very high91.7Very high121 Ų121101.7 Ų101.757%0.56549%0.489SS*.Hα-helixtrans-60.6-43.2172.9-170.7170.6-162.200111.9A183 R189 L190 E191A183-E187 PolarHBondContact O-N 2.9Å; E187-R189 PolarHBondContact O-N 2.9Å; E187-L190 PolarHBondContact O-N 2.91Å; E187-E191 PolarHBondContact O-N 3.21Å
188L95.5Very high92.2Very high100 Ų100100.7 Ų100.752%0.52449%0.492SS..Hα-helixtrans-59.3-44.7171.6-18063.6000111.9L184 E186 L190 E191 E192L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 PolarHBondContact O-N 3.05Å; E186-L188 PolarHBondContact O-N 3.39Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 3.21Å; L188-E191 PolarHBondContact O-N 2.98Å; L188-E192 HydrophobicContact CD1-CG 4.37Å; L188-E192 HydrophobicContact CG-CG 4.47Å; L188-E192 WeakPolarHBondContact O-CB 3.26Å; L188-E192 WeakPolarHBondContact O-CG 3.42Å; L188-E192 PolarHBondContact O-N 3.3Å
189R94.6Very high92.7Very high132 Ų132103.9 Ų103.950%0.49850%0.504SS..Hα-helixtrans-61.3-37.1177.9-166.2-171.574.581.71.5112.1R185 E186 E187 A193R185-R189 PolarHBondContact O-N 2.97Å; E186-R189 VanDerWaalsContact CD-NE 3.33Å; E186-R189 WeakPolarHBondContact O-CB 3.42Å; E186-R189 PolarHBondContact O-N 3.03Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE1-CZ 2.65Å; E186-R189 VanDerWaalsContact OE1-CZ 3.28Å; E186-R189 IonicContact OE1-NE 3.4Å; E186-R189 PolarHBondContact OE1-NE 2.66Å; E186-R189 VanDerWaalsContact OE1-NE 3.1Å; E186-R189 IonicContact OE1-NH2 3.61Å; E186-R189 PolarHBondContact OE1-NH2 2.7Å; E186-R189 IonicContact OE2-CZ 3.28Å; E186-R189 IonicContact OE2-NE 3.1Å; E186-R189 PolarHBondContact OE2-NE 3.4Å; E186-R189 IonicContact OE2-NH2 2.66Å; E187-R189 PolarHBondContact O-N 2.9Å; R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 3.47Å
190L94.8Very high92.9Very high97 Ų97104.3 Ų104.351%0.50850%0.504SS..Hα-helixtrans-69.6-43.9176.8-70.2170.5000111.9E186 E187 L188 A193 R194E186-L190 HydrophobicContact CG-CD1 4.48Å; E186-L190 WeakPolarHBondContact O-CG 3.09Å; E186-L190 PolarHBondContact O-N 3.14Å; E187-L190 PolarHBondContact O-N 2.91Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 3.21Å; L190-A193 PolarHBondContact O-N 3.39Å; L190-R194 WeakPolarHBondContact O-CB 3.28Å; L190-R194 PolarHBondContact O-N 2.87Å
191E94.4Very high93.3Very high81 Ų81106 Ų10638%0.37951%0.514SS..Hα-helixtrans-69.2-35.4175.1-82.7-61.4145.100112.7E187 L188 A193 R194 L195E187-E191 PolarHBondContact O-N 3.21Å; L188-E191 PolarHBondContact O-N 2.98Å; E191-A193 PolarHBondContact O-N 2.65Å; E191-R194 WeakPolarHBondContact O-CB 3.45Å; E191-R194 PolarHBondContact O-N 3.22Å; E191-R194 WeakPolarHBondContact OE1-CD 3.43Å; E191-R194 IonicContact OE1-CZ 3.02Å; E191-R194 IonicContact OE1-NE 2.61Å; E191-R194 IonicContact OE1-NH1 3.21Å; E191-R194 PolarHBondContact OE1-NH1 2.88Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E191-L195 WeakPolarHBondContact O-CB 3.44Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.02Å
192E93.4Very high93.4Very high112 Ų112112.7 Ų112.752%0.52354%0.536SS..Hα-helixtrans-59.7-45.2169.6-76.4-178.6166.300111.7L188 R194 L195 V196L188-E192 HydrophobicContact CD1-CG 4.37Å; L188-E192 HydrophobicContact CG-CG 4.47Å; L188-E192 WeakPolarHBondContact O-CB 3.26Å; L188-E192 WeakPolarHBondContact O-CG 3.42Å; L188-E192 PolarHBondContact O-N 3.3Å; E192-R194 PolarHBondContact O-N 3.46Å; E192-L195 PolarHBondContact O-N 2.9Å; E192-V196 WeakPolarHBondContact O-CG2 3.41Å; E192-V196 PolarHBondContact O-N 3.41Å
193A91.8Very high93.1Very high55 Ų55111.6 Ų111.646%0.45553%0.533SS..Hα-helixtrans-63.4-39.9175.500000112.2R189 L190 E191 V196 L197R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 3.47Å; L190-A193 PolarHBondContact O-N 3.39Å; E191-A193 PolarHBondContact O-N 2.65Å; A193-V196 PolarHBondContact O-N 2.83Å; A193-L197 PolarHBondContact O-N 3.29Å
194R95.8Very high92.9Very high146 Ų146111.6 Ų111.655%0.55153%0.529SS*.Hα-helixtrans-62.8-44.6174.9-168.6-174.7-166163.14.1111.8L190 E191 E192 V196 L197 L198L190-R194 WeakPolarHBondContact O-CB 3.28Å; L190-R194 PolarHBondContact O-N 2.87Å; E191-R194 WeakPolarHBondContact O-CB 3.45Å; E191-R194 PolarHBondContact O-N 3.22Å; E191-R194 WeakPolarHBondContact OE1-CD 3.43Å; E191-R194 IonicContact OE1-CZ 3.02Å; E191-R194 IonicContact OE1-NE 2.61Å; E191-R194 IonicContact OE1-NH1 3.21Å; E191-R194 PolarHBondContact OE1-NH1 2.88Å; E191-R194 WeakPolarHBondContact OE2-CD 3.48Å; E192-R194 PolarHBondContact O-N 3.46Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 2.92Å; R194-L197 WeakPolarHBondContact O-CB 2.99Å; R194-L197 PolarHBondContact O-N 3.48Å; R194-L198 HydrophobicContact CG-CD1 4.26Å; R194-L198 WeakPolarHBondContact O-CG 3.42Å; R194-L198 PolarHBondContact O-N 3.21Å
195L95.1Very high92.3Very high107 Ų107113.7 Ų113.756%0.5654%0.537SS*.Hα-helixtrans-63.1-38.5175.7-74.5169.4000111.9E191 E192 L198 K199E191-L195 WeakPolarHBondContact O-CB 3.44Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.02Å; E192-L195 PolarHBondContact O-N 2.9Å; L195-L198 PolarHBondContact O-N 3.12Å; L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.3Å; L195-K199 PolarHBondContact O-N 3.29Å
196V96.8Very high91.6Very high85 Ų85110 Ų11052%0.51553%0.528SS..Hα-helixtrans-63.2-42.6172.8169.70000111.4E192 A193 R194 K199 K200E192-V196 WeakPolarHBondContact O-CG2 3.41Å; E192-V196 PolarHBondContact O-N 3.41Å; A193-V196 PolarHBondContact O-N 2.83Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 2.92Å; V196-K199 PolarHBondContact O-N 3.43Å; V196-K200 PolarHBondContact O-N 3.4Å
197L94.5Very high90.1Very high124 Ų124111.7 Ų111.765%0.64954%0.536SS*.Hα-helixtrans-62.3-48.7175.9-167.882.3000111.4A193 R194 K199 K200 L201A193-L197 PolarHBondContact O-N 3.29Å; R194-L197 WeakPolarHBondContact O-CB 2.99Å; R194-L197 PolarHBondContact O-N 3.48Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3Å; L197-K200 PolarHBondContact O-N 3.45Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 3.25Å
198L95.5Very high88.6Confident89 Ų89113.5 Ų113.547%0.46654%0.542SS..Hα-helixtrans-61.4-39.4177.7-71.1170.3000112R194 L195 L201 R202R194-L198 HydrophobicContact CG-CD1 4.26Å; R194-L198 WeakPolarHBondContact O-CG 3.42Å; R194-L198 PolarHBondContact O-N 3.21Å; L195-L198 PolarHBondContact O-N 3.12Å; L198-L201 PolarHBondContact O-N 2.88Å; L198-R202 WeakPolarHBondContact O-CB 3.39Å; L198-R202 PolarHBondContact O-N 3.08Å
199K94.7Very high86.5Confident161 Ų161113.9 Ų113.970%0.754%0.541SS*.Hα-helixtrans-64.1-43.3174.9-172.2174.3-177.7176.60111.8L195 V196 L197 R202 Q203L195-K199 VanDerWaalsContact O-CB 3.25Å; L195-K199 WeakPolarHBondContact O-CB 3.3Å; L195-K199 PolarHBondContact O-N 3.29Å; V196-K199 PolarHBondContact O-N 3.43Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3Å; K199-R202 PolarHBondContact O-N 2.81Å; K199-Q203 WeakPolarHBondContact O-CB 3.31Å; K199-Q203 PolarHBondContact O-N 2.94Å
200K92.8Very high84.5Confident139 Ų139111.8 Ų111.860%0.60454%0.54SS*.Hα-helixtrans-64.9-40.2173.8-78.3-171.4174.9-174.80112.4V196 L197 Q203 S204V196-K200 PolarHBondContact O-N 3.4Å; L197-K200 PolarHBondContact O-N 3.45Å; K200-Q203 PolarHBondContact O-N 2.9Å; K200-S204 WeakPolarHBondContact O-CB 3.34Å; K200-S204 PolarHBondContact O-N 2.61Å
201L92.1Very high82.6Confident96 Ų96112.5 Ų112.550%0.50355%0.548SS..Hα-helixtrans-62.3-45.9176.6-175.665.4000111.2L197 L198 Q203 S204 Q205L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 2.88Å; L201-Q203 PolarHBondContact O-N 3.31Å; L201-S204 PolarHBondContact O-N 2.96Å; L201-Q205 PolarHBondContact O-N 3.42Å
202R89.6Confident80.4Confident190 Ų190114.4 Ų114.472%0.71757%0.565SS**Hα-helixtrans-62.5-41.4175-172.1175.6-179.9-179.30.2112L198 K199 Q205 M206L198-R202 WeakPolarHBondContact O-CB 3.39Å; L198-R202 PolarHBondContact O-N 3.08Å; K199-R202 PolarHBondContact O-N 2.81Å; R202-Q205 PolarHBondContact O-N 2.89Å; R202-M206 WeakPolarHBondContact O-CG 3.21Å; R202-M206 PolarHBondContact O-N 2.8Å
203Q87.1Confident78.3Confident116 Ų116116.1 Ų116.154%0.54257%0.573SS.*Hα-helixtrans-62.8-40.9175.2-172.8174.83800112K199 K200 L201 M206 Q207K199-Q203 WeakPolarHBondContact O-CB 3.31Å; K199-Q203 PolarHBondContact O-N 2.94Å; K200-Q203 PolarHBondContact O-N 2.9Å; L201-Q203 PolarHBondContact O-N 3.31Å; Q203-M206 PolarHBondContact O-N 3.23Å; Q203-Q207 WeakPolarHBondContact O-CB 3.43Å; Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 2.87Å
204S85.8Confident76.2Confident57 Ų57121.5 Ų121.540%0.39959%0.586SS.*Hα-helixtrans-64.8-39.9176.7-175.30000112.5K200 L201 Q207 K208K200-S204 WeakPolarHBondContact O-CB 3.34Å; K200-S204 PolarHBondContact O-N 2.61Å; L201-S204 PolarHBondContact O-N 2.96Å; S204-Q207 PolarHBondContact O-N 3.22Å; S204-K208 PolarHBondContact O-N 2.96Å
205Q81Confident73Confident126 Ų126120.5 Ų120.559%0.58960%0.596SS**Hα-helixtrans-62.9-47.9173.8-70.7-174.541.600111.7L201 R202 Q207 K208 E209L201-Q205 PolarHBondContact O-N 3.42Å; R202-Q205 PolarHBondContact O-N 2.89Å; Q205-Q207 VanDerWaalsContact C-N 3.28Å; Q205-Q207 PolarHBondContact O-N 2.86Å; Q205-K208 PolarHBondContact O-N 2.95Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; Q205-E209 PolarHBondContact O-N 2.9Å
206M71.1Confident70.4Confident95 Ų95121.1 Ų121.147%0.46861%0.607SS.*Hα-helixtrans-63.7-30.1177.5-69.8-131.769.500113.6R202 Q203 N210R202-M206 WeakPolarHBondContact O-CG 3.21Å; R202-M206 PolarHBondContact O-N 2.8Å; Q203-M206 PolarHBondContact O-N 3.23Å; M206-N210 PolarHBondContact O-N 3.41Å; M206-N210 VanDerWaalsContact O-N 3.17Å; M206-N210 PolarHBondContact O-ND2 2.87Å
207Q62.2Low67.7Low116 Ų116124.6 Ų124.654%0.54262%0.622SS.*Hα-helixtrans-72.9-39.1173.2-76.5174.9-1200112.4Q203 S204 Q205 E209 N210 V211Q203-Q207 WeakPolarHBondContact O-CB 3.43Å; Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 2.87Å; S204-Q207 PolarHBondContact O-N 3.22Å; Q205-Q207 VanDerWaalsContact C-N 3.28Å; Q205-Q207 PolarHBondContact O-N 2.86Å; Q207-E209 VanDerWaalsContact C-N 3.32Å; Q207-E209 PolarHBondContact O-N 2.79Å; Q207-N210 PolarHBondContact O-N 3.06Å; Q207-V211 WeakPolarHBondContact O-CG2 3.37Å; Q207-V211 PolarHBondContact O-N 3.17Å
208K61.3Low64.8Low159 Ų159125.4 Ų125.469%0.69163%0.632SS**Hα-helixtrans-62-39.4173-81.6-173.8172.2-1760112.1S204 Q205 V211S204-K208 PolarHBondContact O-N 2.96Å; Q205-K208 PolarHBondContact O-N 2.95Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; K208-V211 PolarHBondContact O-N 3.22Å
209E53.1Low61.8Low108 Ų108127.1 Ų127.151%0.50565%0.646SS.*Hα-helixtrans-65.3-43176.6-167179177.400112.3Q205 Q207 V211 V212Q205-E209 PolarHBondContact O-N 2.9Å; Q207-E209 VanDerWaalsContact C-N 3.32Å; Q207-E209 PolarHBondContact O-N 2.79Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-V211 PolarHBondContact O-N 3.35Å; E209-V212 PolarHBondContact O-N 2.86Å
210N52Low58.8Low88 Ų88122.5 Ų122.547%0.47164%0.644SS.*Hα-helixtrans-66.2-25.8178.8-91.8-96.7000114.4M206 Q207M206-N210 PolarHBondContact O-N 3.41Å; M206-N210 VanDerWaalsContact O-N 3.17Å; M206-N210 PolarHBondContact O-ND2 2.87Å; Q207-N210 PolarHBondContact O-N 3.06Å
211V53.9Low56Low112 Ų112122.8 Ų122.868%0.67966%0.657SS**Hα-helixtrans-76.6-31.7176.6170.10000111.7Q207 K208 E209Q207-V211 WeakPolarHBondContact O-CG2 3.37Å; Q207-V211 PolarHBondContact O-N 3.17Å; K208-V211 PolarHBondContact O-N 3.22Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-V211 PolarHBondContact O-N 3.35Å
212V49Very low53.3Low121 Ų121123.1 Ų123.173%0.73367%0.673SS**Hα-helixtrans-73.8-26.5-179.3174.20000112.5E209E209-V212 PolarHBondContact O-N 2.86Å
213Q49.9Very low50.6Low149 Ų149118.8 Ų118.870%0.69668%0.678SS**THydrogen-bonded Turntrans-85.6-0.1-178.3-70.3-177.4-4.700115.1
214K46.4Very low47.8Very low168 Ų168118.3 Ų118.373%0.7369%0.686SS**  trans-123.873.9-176.5-70.6-172.3178.3-179.70113.5
215T29.6Very low45.2Very low125 Ų125122.2 Ų122.277%0.76770%0.701SS**  trans-130.5107.6163.9-44.50000109.5
216P39.7Very low42.7Very low120 Ų120125.5 Ų125.578%0.77971%0.714SS**  trans-81.6145.8-178.831.6-33.3000113
217L41.2Very low40.7Very low157 Ų157127.4 Ų127.482%0.82273%0.731SS**  trans-65.6125.4173.817476000112.5
218V33.7Very low40.2Very low142 Ų142126.7 Ų126.786%0.86174%0.736SS**  trans-142.2146.8157.9177.90000109.7
219T31.2Very low39.6Very low124 Ų124124.7 Ų124.776%0.76174%0.739SS**  trans-119.3141.9-157.8-55.90000114
220G33.2Very low38.7Very low64 Ų64125.5 Ų125.566%0.6675%0.746SS**  trans101.5146.3153.700000117.4
221V33.9Very low37.6Very low146 Ų146129.4 Ų129.489%0.88577%0.767SS**  cis-159.6151.4-5-98.50000111.6
222A34.6Very low36.6Very low102 Ų102133.6 Ų133.684%0.84378%0.776SS**  trans62.6128.2161.500000118.6
223A32.1Very low35.5Very low99 Ų99131.1 Ų131.182%0.81878%0.776SS**  cis-158.9-168.30.200000108.8
224C29.4Very low34.6Very low106 Ų106129.4 Ų129.472%0.71678%0.78SS**  cis-156.61609.3690000114.1
225I31.3Very low34Very low139 Ų139129.4 Ų129.471%0.71378%0.782SS**  trans47.691.8142.9-57.6167.5000119.8
226K27.7Very low34.1Very low196 Ų196129 Ų12985%0.85279%0.785SS**  164.6139.5104.7-103.5155.8-171.9178.80114.3
227T30.3Very low33.6Very low134 Ų134127.1 Ų127.182%0.82279%0.787SS**  trans-160.3179.2179.750.50000109.8
228P51.9Low33.2Very low102 Ų102127.3 Ų127.366%0.66279%0.788SS**  cis-106.1-121.2-30.542-28.1000107.7
229P47.8Very low33Very low116 Ų116131.8 Ų131.875%0.75379%0.79SS**  cis-77.2-175.6-26.9-9.330.9000112.2
230I33.6Very low32.9Very low126 Ų126135.8 Ų135.865%0.64680%0.797SS**  cis89.5114.85.2-49.3175.4000118.6F232I230-F232 HydrophobicContact CG2-CD2 4.22Å
231N29.9Very low32.7Very low170 Ų170136.5 Ų136.591%0.90980%0.804SS**  trans-153.7159.8137.6-116.1-19.2000111.8
232F32Very low32.5Very low199 Ų199135.7 Ų135.787%0.87380%0.799SS**  trans-122.8156.7-153.5-118-94.5000115.4I230I230-F232 HydrophobicContact CG2-CD2 4.22Å
233G27.3Very low32.5Very low70 Ų70138 Ų13872%0.72280%0.796SS**  trans96.3165.8151.400000118
234S30.1Very low33.1Very low112 Ų112137.9 Ų137.978%0.78379%0.787SS**  cis-168.9148.5-22.6-154.60000111.2
235Q33.1Very low33.1Very low168 Ų168141.9 Ų141.979%0.78579%0.792SS**  trans68.2125.6153.8-59.6-114.167.300123
236S32.2Very low33Very low117 Ų117138.8 Ų138.882%0.81879%0.794SS**  trans68140.113371.30000122.7
237G29.5Very low33.2Very low80 Ų80136.4 Ų136.483%0.82579%0.789SS**  trans155.8103.1164.200000114.9
238L32Very low33.2Very low161 Ų161139.7 Ų139.784%0.84380%0.796SS**  trans-80.7147.9178.2-61.8158.1000112.2
239R30.7Very low32Very low237 Ų237137.9 Ų137.989%0.89480%0.796SS**  161.5162.3109-83.5-172.1-151.5-129.46.1114.8
240F28.8Very low31.3Very low208 Ų208139.4 Ų139.491%0.91280%0.802SS**  trans-60.3158.8-177.8-76.7-112000116.1
241G28.6Very low31Very low79 Ų79141.5 Ų141.581%0.81481%0.809SS**  trans-169.5105.8161.300000112.2
242V30.8Very low31.6Very low128 Ų128138.3 Ų138.378%0.77680%0.798SS**  trans-97.8150.2-179.81690000110
243I32.5Very low31.3Very low151 Ų151134.7 Ų134.777%0.77478%0.783SS**  trans-34.4174.7166.218175.1000115.9
244P46.7Very low31.3Very low97 Ų97139.3 Ų139.363%0.6378%0.781SS**  cis-150.4-171.813.724.25.4000119.2
245F28.2Very low31.2Very low190 Ų190142.7 Ų142.783%0.83378%0.784SS**  trans77.8136.6143.1-85-62.9000122.9
246G28.8Very low31.1Very low73 Ų73143 Ų14375%0.75378%0.784SS**  trans-179.2122.1163.500000110.5
247I33.3Very low31Very low146 Ų146148.9 Ų148.975%0.74979%0.789SS**  trans-137.2123.9-170.210.5169.4000111.1
248Q29.5Very low31Very low204 Ų204150.5 Ų150.595%0.95378%0.783SS**  trans163.8150158.3-94.71587.100106.7
249G27.6Very low31Very low64 Ų64151.1 Ų151.166%0.6679%0.786SS**  cis139151.68.500000109.2
250V31.9Very low31.1Very low147 Ų147149 Ų14989%0.89179%0.786SS**  trans84.8119.6172.1-1680000118
251Q27.9Very low31.1Very low170 Ų170142.2 Ų142.279%0.79478%0.775SS**  trans-106.9156.8151.8-97.8-79.675.400106
252P41.5Very low31.3Very low103 Ų103146.7 Ų146.767%0.66978%0.775SS**  -163.4170.768.444.3-22.2000120.9
253E26.4Very low31.5Very low123 Ų123146.1 Ų146.158%0.57577%0.771SS**  trans80.6144.7134.4-79.5-87.552.600126.1
254Y26.8Very low31.4Very low168 Ų168144.7 Ų144.766%0.65977%0.77SS**  trans46.6126.5167.8-55.3-71.3000122
255H28.5Very low30.7Very low183 Ų183147.4 Ų147.485%0.84778%0.777SS**  -167.615769.7-9688.2000115.6
256H30.1Very low30.8Very low173 Ų173150 Ų15080%0.80178%0.781SS**  trans-70.4150.8174.9-87-100.8000115.7
257R30.4Very low30.9Very low242 Ų242152.1 Ų152.191%0.91379%0.785SS**  -160.5156.5117.9-122.7179.9-174.1177.43.2116.2
258T30.6Very low30.8Very low114 Ų114150 Ų15070%0.69979%0.789SS**  trans-88.4155.4-177.734.70000113.8
259L31.5Very low30.8Very low173 Ų173147.5 Ų147.591%0.90678%0.782SS**  -175157.7124.4-101.4161.2000113.3
260Q32.4Very low31Very low192 Ų192150.8 Ų150.890%0.89779%0.789SS**  trans-92.7156.1179.4-64.3169.7-4300111.9
261G29.9Very low31Very low66 Ų66149 Ų14968%0.6878%0.784SS**  trans139121.2139.900000119.8
262H32.6Very low31.5Very low174 Ų174149 Ų14981%0.80679%0.788SS**  trans7499.2138-74.6-96.1000123.4
263T34.1Very low31.7Very low116 Ų116149.6 Ų149.671%0.71279%0.792SS**  58.8123.5120.354.80000124.4
264V31.2Very low32.5Very low121 Ų121149.5 Ų149.573%0.73380%0.802SS**  trans92.5112.2131.6170.60000121.4
265I32.1Very low33.4Very low154 Ų154150.3 Ų150.379%0.7981%0.814SS**  trans60.4115.3148.9-62.2170.3000120.6
266R29.2Very low34.3Very low244 Ų244149.8 Ų149.892%0.92182%0.817SS**  -169.7150.3109.7-136.6169.1-177.8154.9-0.9113.1
267S31.8Very low34.8Very low118 Ų118150.1 Ų150.183%0.82582%0.821SS**  trans-90.9148.2-178.9-41.10000113.8
268A31Very low34.9Very low101 Ų101144.4 Ų144.484%0.83582%0.818SS**  trans-160.7156153.600000112.3
269N30.2Very low35Very low151 Ų151148 Ų14881%0.80783%0.826SS**  trans-95.5154.7-166.5-48.9-35.8000114.3
270T31.1Very low35.3Very low133 Ų133149.4 Ų149.482%0.81682%0.82SS**  170.4106.8129.226.90000110
271S31.7Very low35.2Very low110 Ų110147.5 Ų147.577%0.76982%0.821SS**  86.710088.872.30000115.5
272L39.4Very low35.5Very low170 Ų170150 Ų15089%0.8982%0.817SS**PPolyproline II helixtrans-98.6152.3164.3-72.4168.7000110.2
273P44.6Very low35.3Very low116 Ų116146.1 Ų146.175%0.75382%0.815SS**PPolyproline II helixtrans-76.9154.7-174.731.3-35.6000113.5
274P43.4Very low35.6Very low120 Ų120146.4 Ų146.478%0.77982%0.819SS**PPolyproline II helixtrans-85.4138.2-173.333.4-34.5000113.2
275M45.1Very low35.7Very low186 Ų186146.1 Ų146.192%0.91682%0.823SS**PPolyproline II helixtrans-90.4138.7159.8-71.6-160.872.800110.6
276L47.3Very low36Very low172 Ų172144.5 Ų144.590%0.90182%0.822SS**PPolyproline II helixtrans-75144.8-169.3-68169.3000113.1
277M41.5Very low36.2Very low180 Ų180138.4 Ų138.489%0.88782%0.817SS**PPolyproline II helixtrans-61.8145.4178.6-71.7-84150.800112.9
278S33.1Very low36.2Very low121 Ų121141 Ų14185%0.84682%0.816SS**  trans-116.4139.3148.6-161.40000109
279Q31.6Very low36.4Very low189 Ų189144.9 Ų144.988%0.88382%0.822SS**  trans-77.4152.6-162.9-71.9-179.146.800113.9
280R37Very low36.6Very low203 Ų203146.4 Ų146.477%0.76682%0.824SS**  trans-76.2153.6175.8-49.9168.6-164.2158.76.3110.9I282R280-I282 HydrophobicContact CB-CG1 3.85Å; R280-I282 HydrophobicContact CG-CG1 4.41Å
281V30.8Very low36.6Very low152 Ų152143.5 Ų143.592%0.92182%0.82SS**  trans-111.2122.6137.7177.30000106.6
282I37.7Very low36.5Very low119 Ų119145.8 Ų145.861%0.6182%0.819SS**PPolyproline II helixtrans-93131.6-173.3-65.9163.1000109.4R280R280-I282 HydrophobicContact CB-CG1 3.85Å; R280-I282 HydrophobicContact CG-CG1 4.41Å
283A28.4Very low36.1Very low92 Ų92148 Ų14876%0.7682%0.816SS**PPolyproline II helixtrans-90.3136.3160.900000109.6
284P39.3Very low35.4Very low123 Ų123148.7 Ų148.780%0.79982%0.817SS**PPolyproline II helixtrans-82.8141.8-175.232.2-34.3000112.9
285S33.7Very low34.7Very low115 Ų115147.8 Ų147.880%0.80481%0.814SS**PPolyproline II helixtrans-92.5140.8170.349.90000111.4
286P38.5Very low34Very low120 Ų120143.7 Ų143.778%0.77980%0.804SS**PPolyproline II helixtrans-95.1128.4-179.334.4-31.5000112.5
287S32.3Very low33.2Very low116 Ų116145 Ų14581%0.81180%0.802SS**  trans-169.3157.9158.8-84.50000110.9
288Q31.9Very low32.7Very low173 Ų173142.7 Ų142.781%0.80880%0.798SS**  trans76100.1178.3-55.7-70.55.100117
289L36.6Very low32.5Very low181 Ų181140.2 Ų140.295%0.94879%0.792SS**  -158.3126.8128.2-108.8172000110.3
290Q33Very low32.9Very low183 Ų183140.1 Ų140.186%0.85579%0.794SS**  trans-120.4124.6179.2175.5-179.73.500107.7
291G31.3Very low33.5Very low72 Ų72135.7 Ų135.774%0.74279%0.792SS**  trans177.585.3-177.700000119.1
292Q29.7Very low33.5Very low159 Ų159140.3 Ų140.374%0.74379%0.793SS**  trans55.4125.9142.5-76.4-163.331.400124.5
293R30.5Very low33.2Very low217 Ų217140.7 Ų140.782%0.81981%0.806SS**  trans71.5146.8136.9-66.1-152.7-92.3-165.7-0.3117.8
294V30.3Very low33.3Very low129 Ų129141.9 Ų141.978%0.78281%0.808SS**  cis-142.3154.914.3-175.90000111.1
295S29.9Very low32.9Very low102 Ų102140.7 Ų140.771%0.71380%0.803SS**  trans6.8146.3152.6-150.50000120.7
296S29.5Very low32.8Very low100 Ų100139.8 Ų139.870%0.69980%0.797SS**  cis-166.6150.340.3-44.70000114.6
297K31.2Very low32.5Very low198 Ų198138.8 Ų138.886%0.86179%0.792SS**  trans31.8140134.4-98.5-179.2179.5178.50120.6
298T30.4Very low32.4Very low132 Ų132140.9 Ų140.981%0.8179%0.791SS**  cis-165.9162.412.6-32.90000110.1
299G28.4Very low32.3Very low70 Ų70138.7 Ų138.772%0.72279%0.79SS**  trans137114.5150.200000116.4
300M39.6Very low32Very low186 Ų186135.7 Ų135.792%0.91678%0.784SS**  trans-89166.6-178.9-110.5859200113.7
301P50.9Low31.8Very low111 Ų111131.1 Ų131.172%0.72178%0.777SS**  trans-96.8175-169.240-38.1000114
302R30.4Very low31.7Very low249 Ų249133.8 Ų133.894%0.9478%0.779SS**  trans-167.9142.4141.7-108.5157.8-177.6-171.6-1112.6
303S31.8Very low31.6Very low127 Ų127131.7 Ų131.789%0.88877%0.773SS**  trans-130.3135.6171.1-600000110.3
304S30Very low31.4Very low116 Ų116130.5 Ų130.581%0.81177%0.77SS**  trans-165.2145.7172.752.90000105.2
305S31.6Very low31.3Very low99 Ų99130.6 Ų130.669%0.69276%0.762SS**  cis176154.8-0.7167.30000104.1
306S31.3Very low31.3Very low96 Ų96133.2 Ų133.267%0.67176%0.763SS**  trans57.9120.314854.40000122.9
307S31Very low31.1Very low98 Ų98132.4 Ų132.469%0.68576%0.762SS**  99.2113.7118.4-700000124.1
308M31.6Very low31Very low161 Ų161127.7 Ų127.779%0.79375%0.754SS**  72.5152.5122.5-53.2-54.3164.300124
309T29.1Very low31.1Very low127 Ų127129.6 Ų129.678%0.77975%0.754SS**  trans75.6121.4164.764.60000117.1
310S29.8Very low31.1Very low118 Ų118135.1 Ų135.183%0.82576%0.761SS**  72.9147.581.7-50.90000113.5
311A29.7Very low30.6Very low86 Ų86133.4 Ų133.471%0.71176%0.76SS**  cis-171.8175.4-23.900000108.1
312V29.6Very low29.6Very low129 Ų129132.8 Ų132.878%0.78277%0.765SS**  trans71.8108.4158.6-174.60000119.8
313N27.6Very low29.5Very low115 Ų115125.5 Ų125.562%0.61576%0.758SS**  41.1135.1126-160.346.1000122.7
314Y26Very low29.3Very low191 Ų191125.3 Ų125.375%0.74976%0.757SS**  166.8107.4126.2-101.4-87.3000107.1
315Q27.7Very low29.6Very low131 Ų131128.7 Ų128.761%0.61276%0.759SS**  78.3116.588.4-128.7-171-37.500115.9
316Q29.2Very low29.6Very low158 Ų158135.8 Ų135.874%0.73877%0.771SS**  trans83.2106.8136-152.2154.6-5.200122.7
317A26.3Very low29.6Very low83 Ų83136.4 Ų136.469%0.68678%0.776SS**  82.4134.4129.200000124.2
318S29.5Very low29.5Very low99 Ų99136.6 Ų136.669%0.69278%0.777SS**  trans103.2153.5136.281.70000119.5
319Q31.1Very low29.7Very low171 Ų171134 Ų13480%0.79978%0.775SS**  trans74.695.7174.8-60.8164.973.900114.6
320Q30.3Very low29.9Very low187 Ų187134.2 Ų134.287%0.87478%0.781SS**  56.5101.871.5-67.1-167.9-22.700114.6
321V28.6Very low30.2Very low149 Ų149132.3 Ų132.390%0.90377%0.772SS**  trans-138.5129.9135.8-1740000107.3
322A29.3Very low30.5Very low99 Ų99136.3 Ų136.382%0.81878%0.778SS**  trans-97.2144175.800000110.7
323A28.7Very low30.7Very low95 Ų95141.6 Ų141.679%0.78579%0.786SS**  trans-152.613116300000112.5
324S28.3Very low31.1Very low124 Ų124144.8 Ų144.887%0.86780%0.8SS**  trans65.4102.6157.4-60.80000120.3
325Q35.7Very low31.4Very low186 Ų186143 Ų14387%0.86980%0.803SS**  trans-71.9151.2151.7-55.1-178.535.600111.3
326R30.7Very low31.7Very low248 Ų248145 Ų14594%0.93682%0.817SS**  -164.7150.3124.1-111175.7179.2-130.5-1.4112.8
327S31.8Very low32Very low110 Ų110141.2 Ų141.277%0.76981%0.813SS**  trans-59.7171.7-179.8-38.20000113.5
328S28.7Very low32.4Very low102 Ų102146.2 Ų146.271%0.71382%0.821SS**  cis-163.8151.124.3-162.60000114.4
329S35.8Very low32.7Very low106 Ų106148.7 Ų148.774%0.74182%0.824SS**  trans39.9117.5143.460.50000122.3
330S34.5Very low32.9Very low132 Ų132148.4 Ų148.492%0.92382%0.822SS**  -163.8165106.2-162.60000110.7
331A36.2Very low32.9Very low77 Ų77144 Ų14464%0.63682%0.819SS**  trans-125.5177.7-157.700000115.1
332M34.9Very low33.2Very low170 Ų170142 Ų14284%0.83782%0.818SS**  trans70.2101161.8-50.2-53.4-157.300118.5
333Y34.5Very low33.5Very low240 Ų240142 Ų14294%0.94182%0.818SS**  -155.4147.1112.1-126.5-93.9000111.1
334M36.1Very low34.1Very low183 Ų183141.9 Ų141.990%0.90182%0.816SS**  trans-70.8142.5-167.7-73-73.2-139.800113.9
335N32.1Very low34.3Very low153 Ų153143.2 Ų143.282%0.81882%0.819SS**  trans-111.6118164.3-157.2-53.4000109A337N335-A337 PolarHBondContact O-N 2.96Å; N335-A337 VanDerWaalsContact O-N 3.14Å
336L33.5Very low34.3Very low174 Ų174137.5 Ų137.591%0.91181%0.81SS**  trans-83.489.2-173.7-178.162.9000110.5
337A34.8Very low34.4Very low78 Ų78130.9 Ų130.965%0.64581%0.809SS**  trans-107.2128170.300000111.1N335N335-A337 PolarHBondContact O-N 2.96Å; N335-A337 VanDerWaalsContact O-N 3.14Å
338H35.1Very low34.8Very low187 Ų187132 Ų13287%0.86682%0.816SS**  trans54.5106.5142.7-155.254.9000118.4
339M36.1Very low35.1Very low152 Ų152130.7 Ų130.775%0.74982%0.819SS**  trans-129.5153.9167.7-155.7177.175.100111.2
340Q35.2Very low35.6Very low164 Ų164132.3 Ų132.377%0.76682%0.824SS**  trans76.1129.3170-78.1158.5-30.400117.4
341A31.1Very low35.9Very low96 Ų96132.2 Ų132.279%0.79382%0.818SS**  cis-154.9142-4.700000113.2
342A33.7Very low36.4Very low107 Ų107133 Ų13388%0.88483%0.825SS**  trans-141.8120.9155.100000107.5
343A36.3Very low36.7Very low99 Ų99130 Ų13082%0.81882%0.82SS**  trans-136.8125.8179.900000111.6
344A40.3Very low37.1Very low92 Ų92121.9 Ų121.976%0.7681%0.81SS**  trans74.7106.1145.900000121.8
345V33.6Very low37.5Very low151 Ų151117.2 Ų117.292%0.91580%0.801SS**  69.6120.1124.9-1760000119.9
346G35.2Very low38.3Very low67 Ų67115.5 Ų115.569%0.69180%0.796SS**  134.9118122.700000119.2
347A33.1Very low39.2Very low109 Ų109110.3 Ų110.390%0.90177%0.774SS**  trans73.4145.3152.800000120.9
348S40.6Very low40Very low132 Ų132110 Ų11092%0.92377%0.767SS**  trans-75.3144.1179.4-520000113.1
349G34.4Very low40.9Very low76 Ų76108.1 Ų108.178%0.78476%0.76SS**  trans178.9119.5167.500000112.3
350V46.1Very low42Very low139 Ų139103.8 Ų103.884%0.84275%0.748SS**  trans-86.6125.6173.8-178.70000108.9
351T41.2Very low43.2Very low130 Ų130101.2 Ų101.280%0.79874%0.74SS**  trans156.6146.5134.9420000113.2
352A47.3Very low44.8Very low95 Ų95100.1 Ų100.179%0.78572%0.718SS**  trans49.290.9154.300000120.1
353S39.9Very low46.5Very low105 Ų10597.6 Ų97.673%0.73470%0.698SS**  trans-158.353.8154.6-81.10000112.5
354G43.4Very low48.5Very low71 Ų7196.4 Ų96.473%0.73268%0.684SS**  trans-83.7-14.2-17500000116.6
355A45.5Very low50.1Low85 Ų8595.7 Ų95.770%0.70267%0.673SS**SBendtrans-93-25.7-168.100000114.9
356V47.8Very low52Low117 Ų11791.5 Ų91.571%0.70964%0.643SS**Hα-helixtrans-81.6-30.8-175.2-1680000111.6S358V356-S358 PolarHBondContact O-N 3.46Å
357S51.7Low54Low64 Ų6491.2 Ų91.245%0.44863%0.634SS.*Hα-helixtrans-64-36.9-178.6-400000113.2M359 A360 D361S357-M359 PolarHBondContact O-N 2.92Å; S357-A360 PolarHBondContact O-N 3.01Å; S357-D361 PolarHBondContact O-N 2.94Å
358S51.7Low56.3Low71 Ų7188.8 Ų88.850%0.49762%0.615SS.*Hα-helixtrans-68.6-33.9-173.9-167.70000113.3V356 Q362V356-S358 PolarHBondContact O-N 3.46Å; S358-Q362 WeakPolarHBondContact O-CG 3.17Å; S358-Q362 PolarHBondContact O-N 3.28Å
359M53.8Low57.9Low148 Ų14884.5 Ų84.573%0.72959%0.587SS**Hα-helixtrans-72.5-34.6172.6-72.1-128.5-90.100112.3S357 Q362 A363S357-M359 PolarHBondContact O-N 2.92Å; M359-Q362 PolarHBondContact O-N 3.4Å; M359-A363 WeakPolarHBondContact O-CB 3.3Å; M359-A363 PolarHBondContact O-N 3.42Å
360A59.3Low59.9Low61 Ų6183.8 Ų83.850%0.50456%0.562SS.*Hα-helixtrans-66.9-40.9173.700000111.9S357 A363 S364S357-A360 PolarHBondContact O-N 3.01Å; A360-A363 PolarHBondContact O-N 3.37Å; A360-S364 VanDerWaalsContact O-CB 3.25Å; A360-S364 WeakPolarHBondContact O-CB 3.38Å; A360-S364 PolarHBondContact O-N 2.87Å
361D61.3Low61.3Low111 Ų11181.8 Ų81.859%0.59455%0.546SS*.Hα-helixtrans-66.8-37.7174.8-83.5-37.8000112.5S357 S364 S365S357-D361 PolarHBondContact O-N 2.94Å; D361-S364 PolarHBondContact O-N 3.26Å; D361-S365 WeakPolarHBondContact O-CB 3.42Å; D361-S365 PolarHBondContact O-N 2.66Å
362Q65.5Low63.2Low72 Ų7278.4 Ų78.434%0.33653%0.532SS..Hα-helixtrans-62.9-46.4172.4-78.1-1742.300111.9S358 M359 S364 S365 Q366S358-Q362 WeakPolarHBondContact O-CG 3.17Å; S358-Q362 PolarHBondContact O-N 3.28Å; M359-Q362 PolarHBondContact O-N 3.4Å; Q362-S364 PolarHBondContact O-N 2.98Å; Q362-S365 PolarHBondContact O-N 2.8Å; Q362-Q366 WeakPolarHBondContact O-CB 3.46Å; Q362-Q366 PolarHBondContact O-N 3.5Å
363A69.1Low64.5Low55 Ų5574.5 Ų74.546%0.45550%0.497SS..Hα-helixtrans-64.7-3817700000112.7M359 A360 Q366 A367M359-A363 WeakPolarHBondContact O-CB 3.3Å; M359-A363 PolarHBondContact O-N 3.42Å; A360-A363 PolarHBondContact O-N 3.37Å; A363-Q366 PolarHBondContact O-N 3.05Å; A363-A367 PolarHBondContact O-N 3.45Å
364S76.9Confident66.1Low74 Ų7476.5 Ų76.552%0.51749%0.489SS..Hα-helixtrans-64.7-45.7174.4-1760000111.8A360 D361 Q362 Q366 A367 A368A360-S364 VanDerWaalsContact O-CB 3.25Å; A360-S364 WeakPolarHBondContact O-CB 3.38Å; A360-S364 PolarHBondContact O-N 2.87Å; D361-S364 PolarHBondContact O-N 3.26Å; Q362-S364 PolarHBondContact O-N 2.98Å; S364-Q366 PolarHBondContact O-N 3Å; S364-A367 PolarHBondContact O-N 3.21Å; S364-A368 WeakPolarHBondContact O-CB 3.29Å; S364-A368 PolarHBondContact O-N 3.18Å
365S75.7Confident67.9Low77 Ų7779.4 Ų79.454%0.53848%0.481SS..Hα-helixtrans-62.1-40.4175.7-172.10000112.1D361 Q362 A368 A369D361-S365 WeakPolarHBondContact O-CB 3.42Å; D361-S365 PolarHBondContact O-N 2.66Å; Q362-S365 PolarHBondContact O-N 2.8Å; S365-A368 PolarHBondContact O-N 3.05Å; S365-A369 WeakPolarHBondContact O-CB 3.48Å; S365-A369 PolarHBondContact O-N 3.42Å
366Q71.8Confident69Low62 Ų6281.2 Ų81.229%0.2948%0.475SS..Hα-helixtrans-59.8-47.6173.2-171.8169.51100112Q362 A363 S364 A369 K370 E493 L496Q362-Q366 WeakPolarHBondContact O-CB 3.46Å; Q362-Q366 PolarHBondContact O-N 3.5Å; A363-Q366 PolarHBondContact O-N 3.05Å; S364-Q366 PolarHBondContact O-N 3Å; Q366-A369 PolarHBondContact O-N 2.82Å; Q366-K370 VanDerWaalsContact O-CB 3.31Å; Q366-K370 WeakPolarHBondContact O-CB 3.42Å; Q366-K370 PolarHBondContact O-N 2.89Å; Q366-E493 PolarHBondContact NE2-OE1 3.2Å; Q366-L496 HydrophobicContact CB-CD2 3.5Å; Q366-L496 HydrophobicContact CG-CD2 3.3Å
367A77.9Confident69.9Low61 Ų6177.1 Ų77.150%0.50445%0.449SS..Hα-helixtrans-62.3-43176.800000111.9A363 S364 L371A363-A367 PolarHBondContact O-N 3.45Å; S364-A367 PolarHBondContact O-N 3.21Å; A367-L371 VanDerWaalsContact O-CB 3.29Å; A367-L371 WeakPolarHBondContact O-CB 3.37Å; A367-L371 PolarHBondContact O-N 3.49Å
368A81.2Confident71Confident59 Ų5979.8 Ų79.849%0.48846%0.455SS..Hα-helixtrans-64.5-44.7177.500000112.5S364 S365 L371 A372S364-A368 WeakPolarHBondContact O-CB 3.29Å; S364-A368 PolarHBondContact O-N 3.18Å; S365-A368 PolarHBondContact O-N 3.05Å; A368-L371 PolarHBondContact O-N 2.89Å; A368-A372 WeakPolarHBondContact O-CB 3.06Å; A368-A372 PolarHBondContact O-N 3.46Å
369A74.4Confident72.3Confident41 Ų4182.4 Ų82.434%0.33946%0.457SS..Hα-helixtrans-63.3-44.3177.300000111.9S365 Q366 L371 A372 L373S365-A369 WeakPolarHBondContact O-CB 3.48Å; S365-A369 PolarHBondContact O-N 3.42Å; Q366-A369 PolarHBondContact O-N 2.82Å; A369-L371 VanDerWaalsContact C-N 3.31Å; A369-L371 PolarHBondContact O-N 2.69Å; A369-A372 PolarHBondContact O-N 3.49Å; A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 PolarHBondContact O-N 3.08Å
370K76.6Confident72.9Confident62 Ų6278.6 Ų78.627%0.2744%0.442SS..Hα-helixtrans-62.8-36.9175.9-163.8177.2-171.489.20111.8Q366 R374 E489 E493Q366-K370 VanDerWaalsContact O-CB 3.31Å; Q366-K370 WeakPolarHBondContact O-CB 3.42Å; Q366-K370 PolarHBondContact O-N 2.89Å; K370-R374 WeakPolarHBondContact O-CG 3.29Å; K370-R374 PolarHBondContact O-N 3.02Å; K370-R374 VanDerWaalsContact O-N 3.09Å; K370-E489 WeakPolarHBondContact CE-OE1 3.2Å; K370-E489 IonicContact NZ-OE1 3.81Å; K370-E489 PolarHBondContact NZ-OE1 2.69Å; K370-E493 IonicContact NZ-OE2 2.82Å; K370-E493 PolarHBondContact NZ-OE2 3.38Å; K370-E493 VanDerWaalsContact NZ-OE2 3.07Å
371L76Confident73.1Confident97 Ų9778 Ų7851%0.50843%0.431SS..Hα-helixtrans-74.8-36177.5-165135.9000112.7A367 A368 A369 R374 K375A367-L371 VanDerWaalsContact O-CB 3.29Å; A367-L371 WeakPolarHBondContact O-CB 3.37Å; A367-L371 PolarHBondContact O-N 3.49Å; A368-L371 PolarHBondContact O-N 2.89Å; A369-L371 VanDerWaalsContact C-N 3.31Å; A369-L371 PolarHBondContact O-N 2.69Å; L371-R374 PolarHBondContact O-N 3.19Å; L371-K375 HydrophobicContact CD2-CD 4.15Å; L371-K375 WeakPolarHBondContact O-CG 3.42Å; L371-K375 PolarHBondContact O-N 3.41Å; L371-K375 VanDerWaalsContact O-N 3.13Å
372A79.5Confident73.4Confident59 Ų5979.5 Ų79.549%0.48844%0.438SS..Hα-helixtrans-63.7-41.5170.600000111.6A368 A369 K375 Q376A368-A372 WeakPolarHBondContact O-CB 3.06Å; A368-A372 PolarHBondContact O-N 3.46Å; A369-A372 PolarHBondContact O-N 3.49Å; A372-K375 PolarHBondContact O-N 2.88Å; A372-Q376 PolarHBondContact O-N 3.36Å
373L74.5Confident73.6Confident12 Ų1282.1 Ų82.16%0.06345%0.45CS..Hα-helixtrans-59.2-48.2174.1-163.577.9000111.4A369 K375 Q376 L377 Q488 E489 I492A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 PolarHBondContact O-N 3.08Å; L373-K375 VanDerWaalsContact C-N 3.31Å; L373-K375 PolarHBondContact O-N 3.27Å; L373-Q376 WeakPolarHBondContact O-CB 3.46Å; L373-Q376 PolarHBondContact O-N 3.14Å; L373-Q376 VanDerWaalsContact O-N 3.14Å; L373-L377 HydrophobicContact CD2-CD1 4.3Å; L373-L377 HydrophobicContact CG-CD1 4.02Å; L373-L377 WeakPolarHBondContact O-CB 3.3Å; L373-L377 WeakPolarHBondContact O-CD1 3.38Å; L373-L377 WeakPolarHBondContact O-CG 3.18Å; L373-L377 PolarHBondContact O-N 3.01Å; L373-Q488 HydrophobicContact CD1-CB 4.43Å; L373-Q488 VanDerWaalsContact CD1-CD 3.44Å; L373-Q488 HydrophobicContact CD1-CG 3.8Å; L373-E489 HydrophobicContact CD2-CB 3.83Å; L373-E489 HydrophobicContact CD2-CG 4.38Å; L373-I492 HydrophobicContact CD1-CD1 3.77Å; L373-I492 HydrophobicContact CD2-CD1 4.16Å; L373-I492 HydrophobicContact CG-CD1 4.45Å
374R73.8Confident73.6Confident148 Ų14881.1 Ų81.156%0.55844%0.436SS*.Hα-helixtrans-58.2-41.4177.8-74.2174.2179.1-144.2-4.5112.5K370 L371 L377 E378 E489K370-R374 WeakPolarHBondContact O-CG 3.29Å; K370-R374 PolarHBondContact O-N 3.02Å; K370-R374 VanDerWaalsContact O-N 3.09Å; L371-R374 PolarHBondContact O-N 3.19Å; R374-L377 PolarHBondContact O-N 2.88Å; R374-E378 WeakPolarHBondContact O-CB 3.32Å; R374-E378 PolarHBondContact O-N 3.28Å; R374-E489 IonicContact NH2-OE1 2.83Å
375K80.9Confident73.2Confident132 Ų13281.5 Ų81.557%0.57444%0.437SS*.Hα-helixtrans-65.9-40.5174.4-72.5177.4174.6178.80113L371 A372 L373 L377 K379L371-K375 HydrophobicContact CD2-CD 4.15Å; L371-K375 WeakPolarHBondContact O-CG 3.42Å; L371-K375 PolarHBondContact O-N 3.41Å; L371-K375 VanDerWaalsContact O-N 3.13Å; A372-K375 PolarHBondContact O-N 2.88Å; L373-K375 VanDerWaalsContact C-N 3.31Å; L373-K375 PolarHBondContact O-N 3.27Å; K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.86Å; K375-K379 WeakPolarHBondContact O-CB 3.35Å; K375-K379 PolarHBondContact O-N 3.5Å
376Q70.3Confident72.8Confident122 Ų12283.1 Ų83.157%0.5745%0.446SS*.Hα-helixtrans-59.9-39.3174.1-171.583.2-15.600111.1A372 L373 T380A372-Q376 PolarHBondContact O-N 3.36Å; L373-Q376 WeakPolarHBondContact O-CB 3.46Å; L373-Q376 PolarHBondContact O-N 3.14Å; L373-Q376 VanDerWaalsContact O-N 3.14Å; Q376-T380 WeakPolarHBondContact O-CB 3.5Å; Q376-T380 PolarHBondContact O-N 2.9Å; Q376-T380 PolarHBondContact O-OG1 3.44Å
377L65.1Low72.5Confident31 Ų3182.4 Ų82.416%0.16245%0.446CS..Hα-helixtrans-75.1-42.4-179-68.6167.6000112.9L373 R374 K375 K379 T380 L381 A485L373-L377 HydrophobicContact CD2-CD1 4.3Å; L373-L377 HydrophobicContact CG-CD1 4.02Å; L373-L377 WeakPolarHBondContact O-CB 3.3Å; L373-L377 WeakPolarHBondContact O-CD1 3.38Å; L373-L377 WeakPolarHBondContact O-CG 3.18Å; L373-L377 PolarHBondContact O-N 3.01Å; R374-L377 PolarHBondContact O-N 2.88Å; K375-L377 VanDerWaalsContact C-N 3.26Å; K375-L377 PolarHBondContact O-N 2.86Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.42Å; L377-T380 PolarHBondContact O-N 3.26Å; L377-L381 WeakPolarHBondContact O-CB 3.49Å; L377-L381 WeakPolarHBondContact O-CG 3.02Å; L377-L381 PolarHBondContact O-N 2.83Å; L377-A485 HydrophobicContact CD1-CB 3.54Å; L377-A485 HydrophobicContact CD2-CB 3.33Å; L377-A485 HydrophobicContact CG-CB 3.98Å
378E75.3Confident72.1Confident121 Ų12188.4 Ų88.457%0.56546%0.461SS*.Hα-helixtrans-56.5-47.7170.9-175.8175-164.200110.6R374 T380 L381 L382R374-E378 WeakPolarHBondContact O-CB 3.32Å; R374-E378 PolarHBondContact O-N 3.28Å; E378-T380 PolarHBondContact O-N 2.91Å; E378-L381 PolarHBondContact O-N 3.5Å; E378-L382 HydrophobicContact CG-CD1 4.05Å; E378-L382 WeakPolarHBondContact O-CB 2.99Å; E378-L382 WeakPolarHBondContact O-CD1 3.39Å; E378-L382 VanDerWaalsContact O-CG 3.27Å; E378-L382 WeakPolarHBondContact O-CG 3.38Å; E378-L382 PolarHBondContact O-N 3.13Å
379K79.3Confident71.3Confident125 Ų12590.5 Ų90.554%0.54347%0.47SS..Hα-helixtrans-58.2-48.2172.2-176.6-178.5174.3-175.30112.1K375 L377 L381 L382 E383K375-K379 WeakPolarHBondContact O-CB 3.35Å; K375-K379 PolarHBondContact O-N 3.5Å; L377-K379 VanDerWaalsContact C-N 3.32Å; L377-K379 PolarHBondContact O-N 3.42Å; K379-L381 VanDerWaalsContact C-N 3.3Å; K379-L381 PolarHBondContact O-N 2.82Å; K379-L382 PolarHBondContact O-N 3.17Å; K379-E383 VanDerWaalsContact CE-OE2 3.26Å; K379-E383 WeakPolarHBondContact CE-OE2 3.17Å; K379-E383 VanDerWaalsContact O-CB 3.24Å; K379-E383 WeakPolarHBondContact O-CB 3.34Å; K379-E383 PolarHBondContact O-N 3.33Å
380T67.2Low71.2Confident68 Ų6891.5 Ų91.542%0.41747%0.473SS..Hα-helixtrans-65-32.8-177.9-55.60000112.4Q376 L377 E378 I384Q376-T380 WeakPolarHBondContact O-CB 3.5Å; Q376-T380 PolarHBondContact O-N 2.9Å; Q376-T380 PolarHBondContact O-OG1 3.44Å; L377-T380 PolarHBondContact O-N 3.26Å; E378-T380 PolarHBondContact O-N 2.91Å; T380-I384 WeakPolarHBondContact O-CG1 3.43Å
381L63.8Low71Confident50 Ų5092.6 Ų92.626%0.26249%0.494SS..Hα-helixtrans-71-42.9174-77.2162.9000112L377 E378 K379 E383 L478 A481 F482L377-L381 WeakPolarHBondContact O-CB 3.49Å; L377-L381 WeakPolarHBondContact O-CG 3.02Å; L377-L381 PolarHBondContact O-N 2.83Å; E378-L381 PolarHBondContact O-N 3.5Å; K379-L381 VanDerWaalsContact C-N 3.3Å; K379-L381 PolarHBondContact O-N 2.82Å; L381-E383 VanDerWaalsContact C-N 3.27Å; L381-E383 PolarHBondContact O-N 2.94Å; L381-L478 HydrophobicContact CD2-CD2 3.62Å; L381-A481 HydrophobicContact CD2-CB 4.34Å; L381-F482 HydrophobicContact CD1-CD1 4.4Å; L381-F482 HydrophobicContact CD1-CE1 3.58Å; L381-F482 HydrophobicContact CD1-CZ 3.67Å; L381-F482 HydrophobicContact CD2-CD2 4.36Å; L381-F482 HydrophobicContact CD2-CE1 4.21Å; L381-F482 HydrophobicContact CD2-CE2 3.79Å; L381-F482 HydrophobicContact CD2-CZ 3.71Å; L381-F482 HydrophobicContact CG-CZ 4.37Å
382L65.7Low70.6Confident142 Ų14293 Ų9374%0.74350%0.502SS*.Hα-helixtrans-66-28.7175.2-72.8165.3000112.7E378 K379E378-L382 HydrophobicContact CG-CD1 4.05Å; E378-L382 WeakPolarHBondContact O-CB 2.99Å; E378-L382 WeakPolarHBondContact O-CD1 3.39Å; E378-L382 VanDerWaalsContact O-CG 3.27Å; E378-L382 WeakPolarHBondContact O-CG 3.38Å; E378-L382 PolarHBondContact O-N 3.13Å; K379-L382 PolarHBondContact O-N 3.17Å
383E71.3Confident70Confident127 Ų12795 Ų9559%0.59350%0.504SS*.THydrogen-bonded Turntrans-88.3-1.8-176.7-164.3161.1-172.900113.6K379 L381 P385K379-E383 VanDerWaalsContact CE-OE2 3.26Å; K379-E383 WeakPolarHBondContact CE-OE2 3.17Å; K379-E383 VanDerWaalsContact O-CB 3.24Å; K379-E383 WeakPolarHBondContact O-CB 3.34Å; K379-E383 PolarHBondContact O-N 3.33Å; L381-E383 VanDerWaalsContact C-N 3.27Å; L381-E383 PolarHBondContact O-N 2.94Å; E383-P385 WeakPolarHBondContact O-CD 3.4Å; E383-P385 VanDerWaalsContact O-N 3.13Å
384I68.7Low69.6Low33 Ų33100.5 Ų100.517%0.16953%0.533CS..SBendtrans-65.1111.5173-58.2-175.2000109.1T380 L478 A481T380-I384 WeakPolarHBondContact O-CG1 3.43Å; I384-L478 HydrophobicContact CD1-CD2 3.79Å; I384-L478 HydrophobicContact CD1-CG 4.23Å; I384-A481 HydrophobicContact CD1-CB 4.43Å
385P67.7Low69.2Low83 Ų8398.2 Ų98.254%0.53953%0.528SS..PPolyproline II helixtrans-67141-175.2-19.433.5000110.4E383E383-P385 WeakPolarHBondContact O-CD 3.4Å; E383-P385 VanDerWaalsContact O-N 3.13Å
386P68.9Low68.5Low110 Ų110100.9 Ų100.971%0.71454%0.54SS*.PPolyproline II helixtrans-58.5141.317325.2-33.4000109.6K388P386-K388 PolarHBondContact O-N 3.05Å; P386-K388 VanDerWaalsContact O-N 3.17Å
387P64.4Low68.3Low47 Ų47101.9 Ų101.931%0.30555%0.549SS..PPolyproline II helixtrans-58.4124.317923.1-32.1000109.5L470P387-L470 HydrophobicContact CB-CB 4.39Å; P387-L470 HydrophobicContact CB-CD2 4.15Å; P387-L470 HydrophobicContact CG-CB 4.43Å
388K68.6Low68.8Low187 Ų187103.8 Ų103.881%0.81356%0.563SS**PPolyproline II helixtrans-57.6128.7-178.8-169.8171.1-175.6170.50108.8P386P386-K388 PolarHBondContact O-N 3.05Å; P386-K388 VanDerWaalsContact O-N 3.17Å
389P65.8Low68.7Low104 Ų104101.6 Ų101.668%0.67556%0.561SS**PPolyproline II helixtrans-58.9143.1178.524.1-33.6000109.7
390P71Confident68.5Low62 Ų6299.8 Ų99.840%0.40357%0.569SS.*PPolyproline II helixtrans-59.1146.1174.127.3-34.6000109.8
391A72.5Confident69.2Low85 Ų85100.9 Ų100.970%0.70259%0.585SS**PPolyproline II helixtrans-55.313517500000109.7L393A391-L393 PolarHBondContact O-N 3.43Å
392P67.4Low70.3Confident105 Ų105102.1 Ų102.168%0.68259%0.592SS**PPolyproline II helixtrans-54.1132.3175-25.434.3000110.5L394P392-L394 VanDerWaalsContact C-N 3.29Å; P392-L394 HydrophobicContact CB-CD2 4.18Å; P392-L394 HydrophobicContact CB-CG 4.46Å; P392-L394 PolarHBondContact O-N 3.33Å
393L68Low71.3Confident100 Ų10098 Ų9852%0.52458%0.575SS.*  trans-73.789.6170.1-73.4168.3000108A391 H395 M462A391-L393 PolarHBondContact O-N 3.43Å; L393-H395 VanDerWaalsContact C-N 3.28Å; L393-H395 PolarHBondContact O-N 3.26Å; L393-M462 HydrophobicContact CD1-CE 3.87Å
394L65.7Low71.9Confident129 Ų12997.9 Ų97.968%0.67558%0.575SS**  trans-76.481.9174.1-61.8-177.2000109.6P392 F396P392-L394 VanDerWaalsContact C-N 3.29Å; P392-L394 HydrophobicContact CB-CD2 4.18Å; P392-L394 HydrophobicContact CB-CG 4.46Å; P392-L394 PolarHBondContact O-N 3.33Å; L394-F396 HydrophobicContact CB-CE2 4.35Å; L394-F396 PolarHBondContact O-N 2.73Å
395H65.1Low72.6Confident99 Ų99100 Ų10046%0.45858%0.583SS.*  trans-81.8109.2165.8-78.1-29000109.4L393 L397 H447L393-H395 VanDerWaalsContact C-N 3.28Å; L393-H395 PolarHBondContact O-N 3.26Å; H395-L397 PolarHBondContact O-N 3.41Å; H395-H447 AromaticContact CD2-CD2 3.87Å; H395-H447 AromaticContact CD2-CE1 3.74Å; H395-H447 AromaticContact CD2-CG 3.71Å; H395-H447 AromaticContact CD2-ND1 3.61Å; H395-H447 AromaticContact CD2-NE2 3.86Å; H395-H447 AromaticContact CE1-CE1 3.89Å; H395-H447 AromaticContact CE1-NE2 3.87Å; H395-H447 AromaticContact NE2-CD2 3.34Å; H395-H447 PolarHBondContact NE2-CD2 2.99Å; H395-H447 VanDerWaalsContact NE2-CD2 3.34Å; H395-H447 AromaticContact NE2-CE1 3.05Å; H395-H447 PolarHBondContact NE2-CE1 3.2Å; H395-H447 AromaticContact NE2-CG 3.59Å; H395-H447 AromaticContact NE2-ND1 3.42Å; H395-H447 PolarHBondContact NE2-ND1 2.95Å; H395-H447 AromaticContact NE2-NE2 2.95Å; H395-H447 PolarHBondContact NE2-NE2 3.07Å
396F66.7Low73.4Confident189 Ų189100.4 Ų100.483%0.82958%0.579SS**  trans-71.578173-65.7-84.2000109.9L394 P398L394-F396 HydrophobicContact CB-CE2 4.35Å; L394-F396 PolarHBondContact O-N 2.73Å; F396-P398 WeakPolarHBondContact O-CD 3.5Å
397L66.1Low74.1Confident143 Ų143103.2 Ų103.275%0.74958%0.577SS**PPolyproline II helixtrans-69124.6163.8-72.4161.5000107.8H395 S399H395-L397 PolarHBondContact O-N 3.41Å; L397-S399 PolarHBondContact O-N 2.91Å
398P74.7Confident75Confident70 Ų70107 Ų10746%0.45559%0.592SS.*PPolyproline II helixtrans-54.1139.4170.8-26.136.4000110F396 A400 F405F396-P398 WeakPolarHBondContact O-CD 3.5Å; P398-A400 PolarHBondContact O-N 2.98Å; P398-A400 VanDerWaalsContact O-N 3.12Å; P398-F405 HydrophobicContact CB-CD1 3.77Å; P398-F405 HydrophobicContact CB-CD2 3.79Å; P398-F405 HydrophobicContact CB-CE1 3.86Å; P398-F405 HydrophobicContact CB-CE2 3.89Å; P398-F405 HydrophobicContact CB-CG 3.73Å; P398-F405 HydrophobicContact CB-CZ 3.92Å; P398-F405 HydrophobicContact CG-CD2 4.03Å; P398-F405 HydrophobicContact CG-CE1 4.19Å; P398-F405 HydrophobicContact CG-CE2 3.68Å; P398-F405 HydrophobicContact CG-CG 4.44Å; P398-F405 HydrophobicContact CG-CZ 3.76Å
399S75.1Confident75.7Confident76 Ų76102 Ų10253%0.53158%0.577SS.*PPolyproline II helixtrans-59.5121.4-1771800000110.4L397 A401 N402L397-S399 PolarHBondContact O-N 2.91Å; S399-A401 PolarHBondContact O-N 3.2Å; S399-A401 PolarHBondContact OG-N 3.44Å; S399-N402 WeakPolarHBondContact O-CB 3.35Å; S399-N402 PolarHBondContact O-N 3.19Å
400A74.2Confident76.3Confident86 Ų8698.2 Ų98.271%0.71156%0.556SS**THydrogen-bonded Turntrans-66.61.4172.300000113.4P398 I406P398-A400 PolarHBondContact O-N 2.98Å; P398-A400 VanDerWaalsContact O-N 3.12Å; A400-I406 WeakPolarHBondContact O-CD1 3.49Å
401A81.8Confident77Confident91 Ų9199.1 Ų99.175%0.75256%0.558SS**THydrogen-bonded Turntrans-91.6-6.2166.400000113.2S399 S403S399-A401 PolarHBondContact O-N 3.2Å; S399-A401 PolarHBondContact OG-N 3.44Å; A401-S403 PolarHBondContact O-N 3.16Å
402N86.9Confident77.5Confident77 Ų77100.8 Ų100.841%0.41255%0.551SS.*  trans-85.8105.3173.3-175.9-6.2000109.8S399 E404 F405 I406S399-N402 WeakPolarHBondContact O-CB 3.35Å; S399-N402 PolarHBondContact O-N 3.19Å; N402-E404 VanDerWaalsContact C-N 3.27Å; N402-E404 PolarHBondContact O-N 3.08Å; N402-E404 WeakPolarHBondContact OD1-CB 3.39Å; N402-E404 PolarHBondContact OD1-N 3.37Å; N402-E404 VanDerWaalsContact OD1-N 3.14Å; N402-F405 HydrophobicContact CB-CB 4.32Å; N402-F405 PolarHBondContact O-N 2.99Å; N402-F405 VanDerWaalsContact O-N 3.15Å; N402-I406 PolarHBondContact O-N 3.39Å
403S86.4Confident78.2Confident55 Ų55102.8 Ų102.839%0.38555%0.551SS.*Hα-helixtrans-57.8-37.1-179.851.10000113.4A401 F405 I406 Y407A401-S403 PolarHBondContact O-N 3.16Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.91Å; S403-I406 PolarHBondContact O-N 2.84Å; S403-I406 VanDerWaalsContact O-N 3.14Å; S403-Y407 WeakPolarHBondContact O-CD2 3.36Å; S403-Y407 PolarHBondContact O-N 3.1Å
404E85.1Confident79Confident125 Ų125102 Ų10258%0.58455%0.55SS**Hα-helixtrans-60.6-39.7179-57.2-56.1109.700111.2N402 Y407 M408N402-E404 VanDerWaalsContact C-N 3.27Å; N402-E404 PolarHBondContact O-N 3.08Å; N402-E404 WeakPolarHBondContact OD1-CB 3.39Å; N402-E404 PolarHBondContact OD1-N 3.37Å; N402-E404 VanDerWaalsContact OD1-N 3.14Å; E404-Y407 PolarHBondContact O-N 3.4Å; E404-M408 WeakPolarHBondContact O-CG 3.27Å; E404-M408 PolarHBondContact O-N 3.43Å
405F83.4Confident80Confident78 Ų78100 Ų10034%0.34254%0.543SS..Hα-helixtrans-68.3-42.6175.7-179.8-106000111.5P398 N402 S403 Y407 M408 V409P398-F405 HydrophobicContact CB-CD1 3.77Å; P398-F405 HydrophobicContact CB-CD2 3.79Å; P398-F405 HydrophobicContact CB-CE1 3.86Å; P398-F405 HydrophobicContact CB-CE2 3.89Å; P398-F405 HydrophobicContact CB-CG 3.73Å; P398-F405 HydrophobicContact CB-CZ 3.92Å; P398-F405 HydrophobicContact CG-CD2 4.03Å; P398-F405 HydrophobicContact CG-CE1 4.19Å; P398-F405 HydrophobicContact CG-CE2 3.68Å; P398-F405 HydrophobicContact CG-CG 4.44Å; P398-F405 HydrophobicContact CG-CZ 3.76Å; N402-F405 HydrophobicContact CB-CB 4.32Å; N402-F405 PolarHBondContact O-N 2.99Å; N402-F405 VanDerWaalsContact O-N 3.15Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.91Å; F405-Y407 VanDerWaalsContact C-N 3.26Å; F405-Y407 PolarHBondContact O-N 2.95Å; F405-M408 WeakPolarHBondContact O-CA 3.49Å; F405-M408 PolarHBondContact O-N 3.37Å; F405-V409 HydrophobicContact CD1-CG2 3.95Å; F405-V409 HydrophobicContact CE1-CG2 3.45Å; F405-V409 VanDerWaalsContact CE1-CG2 3.45Å; F405-V409 HydrophobicContact CE2-CG2 4.22Å; F405-V409 HydrophobicContact CZ-CG2 3.6Å; F405-V409 WeakPolarHBondContact O-CG2 3.23Å; F405-V409 PolarHBondContact O-N 3.12Å
406I83.3Confident80.7Confident91 Ų9198.3 Ų98.347%0.46754%0.536SS..Hα-helixtrans-57.2-41.6177.5-58.5172.1000110.9A400 N402 S403 M408 V409A400-I406 WeakPolarHBondContact O-CD1 3.49Å; N402-I406 PolarHBondContact O-N 3.39Å; S403-I406 PolarHBondContact O-N 2.84Å; S403-I406 VanDerWaalsContact O-N 3.14Å; I406-M408 PolarHBondContact O-N 2.9Å; I406-V409 PolarHBondContact O-N 2.6Å
407Y84.5Confident81.5Confident169 Ų16992.6 Ų92.666%0.66352%0.519SS*.Hα-helixtrans-69.8-16.1177.1-60.5-47.1000114.1S403 E404 F405S403-Y407 WeakPolarHBondContact O-CD2 3.36Å; S403-Y407 PolarHBondContact O-N 3.1Å; E404-Y407 PolarHBondContact O-N 3.4Å; F405-Y407 VanDerWaalsContact C-N 3.26Å; F405-Y407 PolarHBondContact O-N 2.95Å
408M83.6Confident82.5Confident125 Ų12589.4 Ų89.462%0.61651%0.505SS*.Hα-helixtrans-95-17.3175.4-67.9-170.474.400114.1E404 F405 I406 G410 L411E404-M408 WeakPolarHBondContact O-CG 3.27Å; E404-M408 PolarHBondContact O-N 3.43Å; F405-M408 WeakPolarHBondContact O-CA 3.49Å; F405-M408 PolarHBondContact O-N 3.37Å; I406-M408 PolarHBondContact O-N 2.9Å; M408-G410 PolarHBondContact O-N 3.3Å; M408-L411 HydrophobicContact CB-CD1 4.31Å; M408-L411 HydrophobicContact CG-CD1 4.24Å; M408-L411 WeakPolarHBondContact O-CB 3.48Å; M408-L411 PolarHBondContact O-N 2.98Å
409V82.2Confident82.9Confident84 Ų8490.1 Ų90.151%0.50951%0.505SS..THydrogen-bonded Turntrans-67.7129.2175.5171.80000110.2F405 I406 L411F405-V409 HydrophobicContact CD1-CG2 3.95Å; F405-V409 HydrophobicContact CE1-CG2 3.45Å; F405-V409 VanDerWaalsContact CE1-CG2 3.45Å; F405-V409 HydrophobicContact CE2-CG2 4.22Å; F405-V409 HydrophobicContact CZ-CG2 3.6Å; F405-V409 WeakPolarHBondContact O-CG2 3.23Å; F405-V409 PolarHBondContact O-N 3.12Å; I406-V409 PolarHBondContact O-N 2.6Å; V409-L411 VanDerWaalsContact C-N 3.31Å
410G78.1Confident83.1Confident23 Ų2390 Ų9024%0.23750%0.498CS..THydrogen-bonded Turntrans86.7-7.1-177.700000114.1M408 E412 E413 V414M408-G410 PolarHBondContact O-N 3.3Å; G410-E412 VanDerWaalsContact CA-OE2 3.27Å; G410-E412 WeakPolarHBondContact CA-OE2 3.25Å; G410-E412 PolarHBondContact N-OE1 3.45Å; G410-E412 PolarHBondContact N-OE2 2.81Å; G410-E412 PolarHBondContact O-N 3.41Å; G410-E413 PolarHBondContact O-N 2.96Å; G410-E413 VanDerWaalsContact O-N 3.12Å; G410-V414 PolarHBondContact O-N 2.95Å
411L87.1Confident83.3Confident82 Ų8290.6 Ų90.643%0.42950%0.497SS..Hα-helixtrans-64.6-24.9171.2-66.1-174.5000111.7M408 V409 E413 V414 V415M408-L411 HydrophobicContact CB-CD1 4.31Å; M408-L411 HydrophobicContact CG-CD1 4.24Å; M408-L411 WeakPolarHBondContact O-CB 3.48Å; M408-L411 PolarHBondContact O-N 2.98Å; V409-L411 VanDerWaalsContact C-N 3.31Å; L411-E413 VanDerWaalsContact C-N 3.31Å; L411-E413 PolarHBondContact O-N 2.8Å; L411-V414 PolarHBondContact O-N 3.05Å; L411-V415 WeakPolarHBondContact O-CB 3.36Å; L411-V415 WeakPolarHBondContact O-CG2 3.32Å; L411-V415 PolarHBondContact O-N 3.42Å
412E82.3Confident83.1Confident119 Ų11992.5 Ų92.556%0.55649%0.49SS*.Hα-helixtrans-58.6-39.517164.9-83.2-159.600112.4G410 Q416G410-E412 VanDerWaalsContact CA-OE2 3.27Å; G410-E412 WeakPolarHBondContact CA-OE2 3.25Å; G410-E412 PolarHBondContact N-OE1 3.45Å; G410-E412 PolarHBondContact N-OE2 2.81Å; G410-E412 PolarHBondContact O-N 3.41Å; E412-Q416 VanDerWaalsContact O-CB 3.26Å; E412-Q416 WeakPolarHBondContact O-CB 3.25Å; E412-Q416 PolarHBondContact O-N 3.34Å
413E81.8Confident82Confident147 Ų14791 Ų9169%0.68749%0.492SS*.Hα-helixtrans-70.6-37177.3-58.8-170.715700111.3G410 L411 S417G410-E413 PolarHBondContact O-N 2.96Å; G410-E413 VanDerWaalsContact O-N 3.12Å; L411-E413 VanDerWaalsContact C-N 3.31Å; L411-E413 PolarHBondContact O-N 2.8Å; E413-S417 WeakPolarHBondContact O-CB 3.36Å; E413-S417 PolarHBondContact O-N 2.84Å
414V85.7Confident80.8Confident84 Ų8496.9 Ų96.951%0.50951%0.511SS..Hα-helixtrans-66.9-46.4176.1-178.30000110.8G410 L411 S417 V418G410-V414 PolarHBondContact O-N 2.95Å; L411-V414 PolarHBondContact O-N 3.05Å; V414-S417 PolarHBondContact O-N 3.49Å; V414-V418 WeakPolarHBondContact O-CG2 3.46Å; V414-V418 PolarHBondContact O-N 3.29Å
415V85.2Confident79.2Confident86 Ų8698.5 Ų98.552%0.52152%0.517SS..Hα-helixtrans-62.4-44176.1170.40000110.5L411 V418 L419L411-V415 WeakPolarHBondContact O-CB 3.36Å; L411-V415 WeakPolarHBondContact O-CG2 3.32Å; L411-V415 PolarHBondContact O-N 3.42Å; V415-V418 PolarHBondContact O-N 3.3Å; V415-L419 HydrophobicContact CG1-CD1 3.93Å; V415-L419 HydrophobicContact CG1-CG 4.45Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.47Å; V415-L419 PolarHBondContact O-N 2.99Å
416Q80.4Confident77.7Confident65 Ų65106 Ų10630%0.30454%0.542SS..Hα-helixtrans-62.3-46.3176.8-168.560.258.600111.5E412 V418 L419 D420 L429E412-Q416 VanDerWaalsContact O-CB 3.26Å; E412-Q416 WeakPolarHBondContact O-CB 3.25Å; E412-Q416 PolarHBondContact O-N 3.34Å; Q416-V418 VanDerWaalsContact C-N 3.31Å; Q416-V418 PolarHBondContact O-N 3.33Å; Q416-L419 PolarHBondContact O-N 3.3Å; Q416-L419 VanDerWaalsContact O-N 3.13Å; Q416-D420 PolarHBondContact NE2-OD1 3.1Å; Q416-D420 WeakPolarHBondContact O-CB 3.12Å; Q416-D420 PolarHBondContact O-N 2.92Å; Q416-L429 HydrophobicContact CG-CD1 4.12Å
417S82.9Confident76.3Confident68 Ų68103.9 Ų103.948%0.47654%0.544SS..Hα-helixtrans-58.4-40.2176.3-179.20000112.7E413 V414 S421E413-S417 WeakPolarHBondContact O-CB 3.36Å; E413-S417 PolarHBondContact O-N 2.84Å; V414-S417 PolarHBondContact O-N 3.49Å; S417-S421 WeakPolarHBondContact O-CB 3.37Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 PolarHBondContact O-OG 3.06Å
418V87.4Confident74.8Confident77 Ų77101.1 Ų101.147%0.46755%0.549SS..Hα-helixtrans-67.4-41.5174.8170.60000111.7V414 V415 Q416 S421 Q422V414-V418 WeakPolarHBondContact O-CG2 3.46Å; V414-V418 PolarHBondContact O-N 3.29Å; V415-V418 PolarHBondContact O-N 3.3Å; Q416-V418 VanDerWaalsContact C-N 3.31Å; Q416-V418 PolarHBondContact O-N 3.33Å; V418-S421 PolarHBondContact O-N 3.12Å; V418-Q422 WeakPolarHBondContact O-CG 3.45Å; V418-Q422 PolarHBondContact O-N 3.5Å; V418-Q422 VanDerWaalsContact O-N 3.08Å
419L84.3Confident73.3Confident85 Ų85101 Ų10145%0.44555%0.55SS.*Hα-helixtrans-64.5-44176.8-71.5169.4000111.8V415 Q416 Q422V415-L419 HydrophobicContact CG1-CD1 3.93Å; V415-L419 HydrophobicContact CG1-CG 4.45Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.47Å; V415-L419 PolarHBondContact O-N 2.99Å; Q416-L419 PolarHBondContact O-N 3.3Å; Q416-L419 VanDerWaalsContact O-N 3.13Å; L419-Q422 PolarHBondContact O-N 2.96Å
420D77.9Confident72Confident74 Ų74100 Ų10040%0.39655%0.551SS.*Hα-helixtrans-63.1-43.1176.6-67.2-6.6000110.9Q416 Q422 G423Q416-D420 PolarHBondContact NE2-OD1 3.1Å; Q416-D420 WeakPolarHBondContact O-CB 3.12Å; Q416-D420 PolarHBondContact O-N 2.92Å; D420-Q422 VanDerWaalsContact C-N 3.29Å; D420-Q422 PolarHBondContact O-N 3.41Å; D420-G423 PolarHBondContact O-N 2.96Å; D420-G423 VanDerWaalsContact O-N 3.08Å
421S79.4Confident71Confident97 Ų97110.4 Ų110.468%0.67858%0.583SS**Hα-helixtrans-64.5-29.9177.5-62.70000113.2S417 V418 G423S417-S421 WeakPolarHBondContact O-CB 3.37Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 PolarHBondContact O-OG 3.06Å; V418-S421 PolarHBondContact O-N 3.12Å; S421-G423 PolarHBondContact O-N 3.19Å
422Q78.2Confident69.8Low132 Ų132113.7 Ų113.762%0.61760%0.598SS**THydrogen-bonded Turntrans-801.6174.8-71.7-150.561.200114V418 L419 D420 K424V418-Q422 WeakPolarHBondContact O-CG 3.45Å; V418-Q422 PolarHBondContact O-N 3.5Å; V418-Q422 VanDerWaalsContact O-N 3.08Å; L419-Q422 PolarHBondContact O-N 2.96Å; D420-Q422 VanDerWaalsContact C-N 3.29Å; D420-Q422 PolarHBondContact O-N 3.41Å; Q422-K424 PolarHBondContact O-N 2.88Å
423G63.3Low69.4Low44 Ų44115.6 Ų115.645%0.45461%0.607SS.*SBendtrans68.1-8162.200000117.3D420 S421D420-G423 PolarHBondContact O-N 2.96Å; D420-G423 VanDerWaalsContact O-N 3.08Å; S421-G423 PolarHBondContact O-N 3.19Å
424K60.1Low69.5Low179 Ų179112.6 Ų112.678%0.77860%0.6SS**SBendtrans-82.7-13.4-175.8-74.1170.4-178.6170.20114.2Q422Q422-K424 PolarHBondContact O-N 2.88Å
425F53Low69.7Low160 Ų160112.7 Ų112.770%0.70259%0.594SS**  trans-118.774.1170.7-89.7-92000110.7G427F425-G427 PolarHBondContact O-N 3.45Å
426R52.2Low70.2Confident234 Ų234113.2 Ų113.288%0.88359%0.59SS**  trans-72.740.1159.6-78.2-77.5-159.3-133.4-0.6111.6S428R426-S428 PolarHBondContact O-N 2.76Å
427G53Low71Confident48 Ų48110.1 Ų110.150%0.49558%0.575SS.*  trans-74.7117156.800000106.2F425 L429F425-G427 PolarHBondContact O-N 3.45Å; G427-L429 PolarHBondContact O-N 3.49Å
428S52.9Low71.6Confident110 Ų110108.8 Ų108.877%0.76957%0.568SS**  trans-65.592.9169.7-173.20000107.7R426 A430R426-S428 PolarHBondContact O-N 2.76Å; S428-A430 PolarHBondContact O-N 3.32Å
429L52.5Low72Confident122 Ų122109.4 Ų109.464%0.63957%0.566SS**  trans-66.676.1152.7-65.7-174.8000105.6Q416 G427 R431Q416-L429 HydrophobicContact CG-CD1 4.12Å; G427-L429 PolarHBondContact O-N 3.49Å; L429-R431 PolarHBondContact O-N 2.86Å
430A55Low72.6Confident65 Ų65108.7 Ų108.754%0.53757%0.567SS.*  trans-50.2114.3176.500000106.1S428 M432S428-A430 PolarHBondContact O-N 3.32Å; A430-M432 WeakPolarHBondContact O-CA 3.22Å; A430-M432 PolarHBondContact O-N 3.4Å
431R56.3Low73.5Confident240 Ų240114 Ų11491%0.90658%0.582SS**  trans-35.3104.3-179.6169.8-166.2-86.7-162-7.4107.2L429 E433L429-R431 PolarHBondContact O-N 2.86Å; R431-E433 PolarHBondContact O-N 3.24Å
432M62.9Low74.2Confident152 Ų152111.3 Ų111.375%0.74956%0.562SS**PPolyproline II helixtrans-58118.2-166.3-74.6-166.471.300107.5A430 P434 F435A430-M432 WeakPolarHBondContact O-CA 3.22Å; A430-M432 PolarHBondContact O-N 3.4Å; M432-P434 WeakPolarHBondContact O-CD 3.31Å; M432-P434 VanDerWaalsContact O-N 3.17Å; M432-F435 HydrophobicContact CE-CZ 4.18Å
433E73.1Confident75Confident159 Ų159110.2 Ų110.274%0.74356%0.56SS**PPolyproline II helixtrans-59125.2-173-171.2174.6-175.200107.8R431 F435R431-E433 PolarHBondContact O-N 3.24Å; E433-F435 PolarHBondContact O-N 3.01Å; E433-F435 VanDerWaalsContact O-N 3.14Å
434P84.8Confident76.4Confident83 Ų83115.3 Ų115.354%0.53957%0.57SS.*PPolyproline II helixtrans-51.5126.4-177.6-29.335.8000110M432 F436M432-P434 WeakPolarHBondContact O-CD 3.31Å; M432-P434 VanDerWaalsContact O-N 3.17Å; P434-F436 HydrophobicContact CB-CE2 4.3Å; P434-F436 WeakPolarHBondContact O-CD2 3.36Å; P434-F436 WeakPolarHBondContact O-CE2 3.46Å; P434-F436 PolarHBondContact O-N 2.76Å
435F90Very high77.9Confident87 Ų87107.6 Ų107.638%0.38254%0.538SS..PPolyproline II helixtrans-64.7133.3-178.8-67.2-57000110M432 E433 W448 I456M432-F435 HydrophobicContact CE-CZ 4.18Å; E433-F435 PolarHBondContact O-N 3.01Å; E433-F435 VanDerWaalsContact O-N 3.14Å; F435-W448 HydrophobicContact CB-CD2 3.66Å; F435-W448 VanDerWaalsContact CB-CE2 3.42Å; F435-W448 HydrophobicContact CB-CE3 4.2Å; F435-W448 HydrophobicContact CB-CG 4.05Å; F435-W448 HydrophobicContact CB-CH2 4.31Å; F435-W448 HydrophobicContact CB-CZ2 3.78Å; F435-W448 HydrophobicContact CD2-CB 4.39Å; F435-W448 AromaticContact CD2-CD1 3.61Å; F435-W448 HydrophobicContact CD2-CD2 4.42Å; F435-W448 AromaticContact CD2-CG 3.9Å; F435-W448 HydrophobicContact CD2-CG 3.9Å; F435-W448 AromaticContact CD2-NE1 3.95Å; F435-W448 HydrophobicContact CG-CD2 4.35Å; F435-W448 HydrophobicContact CG-CG 4.25Å; F435-W448 WeakPolarHBondContact O-CH2 3.2Å; F435-W448 WeakPolarHBondContact O-CZ2 3.49Å; F435-I456 HydrophobicContact CB-CG2 4.09Å; F435-I456 HydrophobicContact CD1-CD1 4.45Å; F435-I456 HydrophobicContact CD1-CG1 4.06Å; F435-I456 HydrophobicContact CD1-CG2 4.24Å; F435-I456 HydrophobicContact CE1-CD1 4.41Å; F435-I456 HydrophobicContact CE1-CG1 4.42Å; F435-I456 HydrophobicContact CG-CG2 4.27Å
436F95.4Very high79.6Confident97 Ų97104.7 Ų104.743%0.42554%0.535SS..  trans-113.9136.7169.2-64.7-91.7000109.5P434 A438 T442 D443P434-F436 HydrophobicContact CB-CE2 4.3Å; P434-F436 WeakPolarHBondContact O-CD2 3.36Å; P434-F436 WeakPolarHBondContact O-CE2 3.46Å; P434-F436 PolarHBondContact O-N 2.76Å; F436-A438 PolarHBondContact O-N 2.93Å; F436-T442 CarbonylContact C-O 3.58Å; F436-T442 WeakPolarHBondContact CA-O 3.48Å; F436-D443 HydrophobicContact CD1-CB 3.87Å; F436-D443 HydrophobicContact CE1-CB 3.64Å; F436-D443 HydrophobicContact CZ-CB 4.41Å
437C96.1Very high81.2Confident0 Ų097.3 Ų97.30%051%0.51CS..  trans-64.7121.8175.5179.70000110.1Q439 R441 T442 W448 C458 C461C437-Q439 PolarHBondContact O-N 3.29Å; C437-R441 WeakPolarHBondContact O-CA 3.49Å; C437-R441 PolarHBondContact O-N 2.97Å; C437-T442 HydrophobicContact CB-CG2 3.71Å; C437-T442 PolarHBondContact N-O 3.06Å; C437-W448 HydrophobicContact CB-CH2 4.12Å; C437-W448 HydrophobicContact CB-CZ3 3.82Å; C437-C458 HydrophobicContact CB-CB 4.09Å; C437-C458 PolarHBondContact SG-N 3.01Å; C437-C458 VanDerWaalsContact SG-N 3.41Å; C437-C461 VanDerWaalsContact SG-SG 3.66Å
438A96.2Very high83.1Confident40 Ų4097.8 Ų97.833%0.33150%0.497SS..THydrogen-bonded Turntrans-60.6-13.2-179.700000114.3F436 R455 I456 L457F436-A438 PolarHBondContact O-N 2.93Å; A438-R455 HydrophobicContact CB-CB 4.07Å; A438-R455 HydrophobicContact CB-CG 4.44Å; A438-I456 WeakPolarHBondContact CB-O 3.4Å; A438-I456 PolarHBondContact N-O 2.97Å; A438-L457 HydrophobicContact CB-CD2 4.17Å
439Q95.9Very high84.9Confident89 Ų8996.9 Ų96.942%0.41648%0.479SS..THydrogen-bonded Turntrans-106.4-56.8180-74.4177.72.600114.1C437 L457 C461 N465C437-Q439 PolarHBondContact O-N 3.29Å; Q439-L457 HydrophobicContact CB-CD2 4.08Å; Q439-L457 HydrophobicContact CG-CD2 3.66Å; Q439-C461 HydrophobicContact CB-CB 4.4Å; Q439-N465 PolarHBondContact NE2-ND2 3.01Å; Q439-N465 PolarHBondContact OE1-ND2 3.48Å; Q439-N465 PolarHBondContact OE1-OD1 3.12Å
440C96.3Very high86.8Confident70 Ų7097.2 Ų97.247%0.47348%0.477SS..THydrogen-bonded Turntrans-98.2-1.4-177.866.40000114.3T442 C461C440-T442 PolarHBondContact O-N 3.34Å; C440-T442 VanDerWaalsContact SG-CG2 3.54Å; C440-C461 VanDerWaalsContact SG-SG 3.63Å
441R96.2Very high88.5Confident185 Ų18597.4 Ų97.470%0.69847%0.467SS*.  trans56.513.4-178.4-56.8-63.5-170.2163.94.4115.8C437 D443C437-R441 WeakPolarHBondContact O-CA 3.49Å; C437-R441 PolarHBondContact O-N 2.97Å; R441-D443 PolarHBondContact O-N 2.8Å
442T95.3Very high90.1Very high42 Ų4296.8 Ų96.826%0.25847%0.471SS..  trans-55.5140.4165.7-163.60000109.4F436 C437 C440 F444 W448 C458F436-T442 CarbonylContact C-O 3.58Å; F436-T442 WeakPolarHBondContact CA-O 3.48Å; C437-T442 HydrophobicContact CB-CG2 3.71Å; C437-T442 PolarHBondContact N-O 3.06Å; C440-T442 PolarHBondContact O-N 3.34Å; C440-T442 VanDerWaalsContact SG-CG2 3.54Å; T442-F444 WeakPolarHBondContact CG2-O 3.45Å; T442-F444 PolarHBondContact OG1-N 3.32Å; T442-F444 PolarHBondContact OG1-O 3.44Å; T442-W448 HydrophobicContact CG2-CH2 4.18Å; T442-W448 WeakPolarHBondContact O-CH2 3.47Å; T442-C458 HydrophobicContact CG2-CB 3.7Å
443D94.4Very high91.4Very high108 Ų10892.7 Ų92.758%0.57846%0.457SS*.SBendtrans-93.9-12.3169.653-5.5000112F436 R441 W448F436-D443 HydrophobicContact CD1-CB 3.87Å; F436-D443 HydrophobicContact CE1-CB 3.64Å; F436-D443 HydrophobicContact CZ-CB 4.41Å; R441-D443 PolarHBondContact O-N 2.8Å; D443-W448 WeakPolarHBondContact O-CZ2 3.29Å
444F93Very high92.3Very high151 Ų15187 Ų8766%0.66244%0.442SS*.  trans-119.7139.9179.4-177.3-98.6000113T442T442-F444 WeakPolarHBondContact CG2-O 3.45Å; T442-F444 PolarHBondContact OG1-N 3.32Å; T442-F444 PolarHBondContact OG1-O 3.44Å
445T92.6Very high92.7Very high17 Ų1789.7 Ų89.710%0.10444%0.441CS..  trans-166.1148171.9177.90000108.2H447 W448 C458 E459T445-H447 WeakPolarHBondContact CG2-O 3.16Å; T445-H447 PolarHBondContact O-N 2.94Å; T445-H447 PolarHBondContact OG1-N 2.94Å; T445-H447 PolarHBondContact OG1-O 3.43Å; T445-W448 HydrophobicContact CG2-CD2 3.23Å; T445-W448 HydrophobicContact CG2-CE3 3.51Å; T445-W448 HydrophobicContact CG2-CG 3.76Å; T445-W448 HydrophobicContact CG2-CH2 3.76Å; T445-W448 HydrophobicContact CG2-CZ2 3.5Å; T445-W448 VanDerWaalsContact CG2-CZ2 3.5Å; T445-W448 HydrophobicContact CG2-CZ3 3.76Å; T445-C458 HydrophobicContact CG2-CB 3.94Å; T445-C458 WeakPolarHBondContact OG1-CB 3.4Å; T445-E459 PolarHBondContact OG1-N 3.48Å; T445-E459 VanDerWaalsContact OG1-N 3.13Å
446P87.4Confident92.9Very high99 Ų9987.1 Ų87.164%0.64343%0.431SS*.SBendtrans-61.9-29.9174-21.833.7000112.7
447H85.8Confident93Very high79 Ų7982.6 Ų82.637%0.36641%0.411SS..  trans-142.9139.2175.8-162.861.8000113.1H395 T445 E459H395-H447 AromaticContact CD2-CD2 3.87Å; H395-H447 AromaticContact CD2-CE1 3.74Å; H395-H447 AromaticContact CD2-CG 3.71Å; H395-H447 AromaticContact CD2-ND1 3.61Å; H395-H447 AromaticContact CD2-NE2 3.86Å; H395-H447 AromaticContact CE1-CE1 3.89Å; H395-H447 AromaticContact CE1-NE2 3.87Å; H395-H447 AromaticContact NE2-CD2 3.34Å; H395-H447 PolarHBondContact NE2-CD2 2.99Å; H395-H447 VanDerWaalsContact NE2-CD2 3.34Å; H395-H447 AromaticContact NE2-CE1 3.05Å; H395-H447 PolarHBondContact NE2-CE1 3.2Å; H395-H447 AromaticContact NE2-CG 3.59Å; H395-H447 AromaticContact NE2-ND1 3.42Å; H395-H447 PolarHBondContact NE2-ND1 2.95Å; H395-H447 AromaticContact NE2-NE2 2.95Å; H395-H447 PolarHBondContact NE2-NE2 3.07Å; T445-H447 WeakPolarHBondContact CG2-O 3.16Å; T445-H447 PolarHBondContact O-N 2.94Å; T445-H447 PolarHBondContact OG1-N 2.94Å; T445-H447 PolarHBondContact OG1-O 3.43Å; H447-E459 PolarHBondContact O-N 2.99Å
448W92.3Very high92.9Very high58 Ų5882.9 Ų82.922%0.2241%0.413CS..EExtended strand (participates in β ladder)trans-101.3133.5174.2-73.7115.1000110.3F435 C437 T442 D443 T445 I456 C458F435-W448 HydrophobicContact CB-CD2 3.66Å; F435-W448 VanDerWaalsContact CB-CE2 3.42Å; F435-W448 HydrophobicContact CB-CE3 4.2Å; F435-W448 HydrophobicContact CB-CG 4.05Å; F435-W448 HydrophobicContact CB-CH2 4.31Å; F435-W448 HydrophobicContact CB-CZ2 3.78Å; F435-W448 HydrophobicContact CD2-CB 4.39Å; F435-W448 AromaticContact CD2-CD1 3.61Å; F435-W448 HydrophobicContact CD2-CD2 4.42Å; F435-W448 AromaticContact CD2-CG 3.9Å; F435-W448 HydrophobicContact CD2-CG 3.9Å; F435-W448 AromaticContact CD2-NE1 3.95Å; F435-W448 HydrophobicContact CG-CD2 4.35Å; F435-W448 HydrophobicContact CG-CG 4.25Å; F435-W448 WeakPolarHBondContact O-CH2 3.2Å; F435-W448 WeakPolarHBondContact O-CZ2 3.49Å; C437-W448 HydrophobicContact CB-CH2 4.12Å; C437-W448 HydrophobicContact CB-CZ3 3.82Å; T442-W448 HydrophobicContact CG2-CH2 4.18Å; T442-W448 WeakPolarHBondContact O-CH2 3.47Å; D443-W448 WeakPolarHBondContact O-CZ2 3.29Å; T445-W448 HydrophobicContact CG2-CD2 3.23Å; T445-W448 HydrophobicContact CG2-CE3 3.51Å; T445-W448 HydrophobicContact CG2-CG 3.76Å; T445-W448 HydrophobicContact CG2-CH2 3.76Å; T445-W448 HydrophobicContact CG2-CZ2 3.5Å; T445-W448 VanDerWaalsContact CG2-CZ2 3.5Å; T445-W448 HydrophobicContact CG2-CZ3 3.76Å; W448-I456 HydrophobicContact CB-CG2 4.34Å; W448-I456 HydrophobicContact CD2-CG2 3.98Å; W448-I456 HydrophobicContact CE3-CG2 3.35Å; W448-I456 HydrophobicContact CG-CG2 4.43Å; W448-I456 HydrophobicContact CZ3-CG2 3.95Å; W448-C458 HydrophobicContact CH2-CB 4.48Å; W448-C458 HydrophobicContact CZ3-CB 3.99Å
449K91.1Very high92.8Very high91 Ų9185.2 Ų85.240%0.39642%0.417SS..EExtended strand (participates in β ladder)trans-126.8127.7175.5-163.7173.9-168.3168.90111.2L457 M462K449-L457 PolarHBondContact N-O 3.41Å; K449-L457 PolarHBondContact O-N 3.24Å; K449-M462 HydrophobicContact CB-CG 4.43Å; K449-M462 HydrophobicContact CD-CG 3.75Å; K449-M462 HydrophobicContact CD-SD 4.24Å
450Q93.6Very high92.7Very high129 Ų12987.9 Ų87.960%0.60343%0.43SS*.EExtended strand (participates in β ladder)trans-84126.8169.4-164.216639.200110G454 R455 I456Q450-G454 WeakPolarHBondContact CG-O 3.47Å; Q450-G454 PolarHBondContact NE2-O 2.89Å; Q450-R455 WeakPolarHBondContact CA-O 3.46Å; Q450-I456 HydrophobicContact CB-CD1 3.69Å; Q450-I456 HydrophobicContact CG-CD1 3.75Å
451E90.8Very high92.6Very high69 Ų6985.4 Ų85.432%0.32241%0.413SS..  trans-73.6162.2167.7-72.9-168155.500111.1S453 G454 R455 L457E451-S453 VanDerWaalsContact CB-OG 3.28Å; E451-S453 WeakPolarHBondContact CB-OG 3.45Å; E451-S453 PolarHBondContact O-N 2.97Å; E451-S453 PolarHBondContact OE2-OG 3.1Å; E451-G454 PolarHBondContact O-N 3.43Å; E451-R455 PolarHBondContact N-O 3.26Å; E451-R455 IonicContact OE2-NE 2.71Å; E451-R455 IonicContact OE2-NH2 2.82Å; E451-L457 HydrophobicContact CG-CD1 3.91Å; E451-L457 HydrophobicContact CG-CG 4.42Å; E451-L457 VanDerWaalsContact OE1-CD1 3.31Å; E451-L457 WeakPolarHBondContact OE1-CD1 3.42Å
452K89.3Confident92.5Very high228 Ų22877.9 Ų77.999%0.99139%0.386SS*.THydrogen-bonded Turntrans-55.3-18.4167.8-61-175.9179.4-1750113.6G454K452-G454 PolarHBondContact O-N 3.27Å
453S90.6Very high92.3Very high65 Ų6578.9 Ų78.946%0.45539%0.392SS..THydrogen-bonded Turntrans-79.51.6174.765.20000113.8E451 R455E451-S453 VanDerWaalsContact CB-OG 3.28Å; E451-S453 WeakPolarHBondContact CB-OG 3.45Å; E451-S453 PolarHBondContact O-N 2.97Å; E451-S453 PolarHBondContact OE2-OG 3.1Å; S453-R455 PolarHBondContact O-N 2.83Å; S453-R455 PolarHBondContact OG-NE 2.66Å
454G90.8Very high92.2Very high41 Ų4176 Ų7642%0.42338%0.38SS..SBendtrans77.2-12.6-172.600000114.3Q450 E451 K452Q450-G454 WeakPolarHBondContact CG-O 3.47Å; Q450-G454 PolarHBondContact NE2-O 2.89Å; E451-G454 PolarHBondContact O-N 3.43Å; K452-G454 PolarHBondContact O-N 3.27Å
455R94.1Very high92.2Very high139 Ų13970.4 Ų70.453%0.52536%0.358SS..  trans-73133.6-177.5-65-170.8-64.9-143.2-0.6112.2A438 Q450 E451 S453A438-R455 HydrophobicContact CB-CB 4.07Å; A438-R455 HydrophobicContact CB-CG 4.44Å; Q450-R455 WeakPolarHBondContact CA-O 3.46Å; E451-R455 PolarHBondContact N-O 3.26Å; E451-R455 IonicContact OE2-NE 2.71Å; E451-R455 IonicContact OE2-NH2 2.82Å; S453-R455 PolarHBondContact O-N 2.83Å; S453-R455 PolarHBondContact OG-NE 2.66Å
456I94.6Very high92.1Very high33 Ų3373.2 Ų73.217%0.16937%0.369CS..EExtended strand (participates in β ladder)trans-86129.8174.4-54.3-61.9000109.8F435 A438 W448 Q450F435-I456 HydrophobicContact CB-CG2 4.09Å; F435-I456 HydrophobicContact CD1-CD1 4.45Å; F435-I456 HydrophobicContact CD1-CG1 4.06Å; F435-I456 HydrophobicContact CD1-CG2 4.24Å; F435-I456 HydrophobicContact CE1-CD1 4.41Å; F435-I456 HydrophobicContact CE1-CG1 4.42Å; F435-I456 HydrophobicContact CG-CG2 4.27Å; A438-I456 WeakPolarHBondContact CB-O 3.4Å; A438-I456 PolarHBondContact N-O 2.97Å; W448-I456 HydrophobicContact CB-CG2 4.34Å; W448-I456 HydrophobicContact CD2-CG2 3.98Å; W448-I456 HydrophobicContact CE3-CG2 3.35Å; W448-I456 HydrophobicContact CG-CG2 4.43Å; W448-I456 HydrophobicContact CZ3-CG2 3.95Å; Q450-I456 HydrophobicContact CB-CD1 3.69Å; Q450-I456 HydrophobicContact CG-CD1 3.75Å
457L96Very high92.2Very high2 Ų275 Ų751%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-125.9145.5176.2-64.4-178.1000111.2A438 Q439 K449 E451 C461A438-L457 HydrophobicContact CB-CD2 4.17Å; Q439-L457 HydrophobicContact CB-CD2 4.08Å; Q439-L457 HydrophobicContact CG-CD2 3.66Å; K449-L457 PolarHBondContact N-O 3.41Å; K449-L457 PolarHBondContact O-N 3.24Å; E451-L457 HydrophobicContact CG-CD1 3.91Å; E451-L457 HydrophobicContact CG-CG 4.42Å; E451-L457 VanDerWaalsContact OE1-CD1 3.31Å; E451-L457 WeakPolarHBondContact OE1-CD1 3.42Å; L457-C461 HydrophobicContact CB-CB 4.47Å; L457-C461 HydrophobicContact CD2-CB 4.44Å
458C95.3Very high92.5Very high5 Ų577.4 Ų77.43%0.03438%0.376CS..EExtended strand (participates in β ladder)trans-73.2160.5167.267.50000111.6C437 T442 T445 W448 Q460 C461 M462C437-C458 HydrophobicContact CB-CB 4.09Å; C437-C458 PolarHBondContact SG-N 3.01Å; C437-C458 VanDerWaalsContact SG-N 3.41Å; T442-C458 HydrophobicContact CG2-CB 3.7Å; T445-C458 HydrophobicContact CG2-CB 3.94Å; T445-C458 WeakPolarHBondContact OG1-CB 3.4Å; W448-C458 HydrophobicContact CH2-CB 4.48Å; W448-C458 HydrophobicContact CZ3-CB 3.99Å; C458-Q460 VanDerWaalsContact C-N 3.28Å; C458-Q460 PolarHBondContact O-N 2.93Å; C458-C461 PolarHBondContact O-N 3.37Å; C458-C461 PolarHBondContact SG-N 3.01Å; C458-C461 VanDerWaalsContact SG-SG 3.62Å; C458-M462 WeakPolarHBondContact O-CB 3.34Å; C458-M462 PolarHBondContact O-N 3.06Å
459E92.8Very high92.3Very high89 Ų8977.4 Ų77.442%0.41639%0.389SS..Hα-helixtrans-53.6-42.7-179.3-174.7-178173.600112.8T445 H447 M462 T463T445-E459 PolarHBondContact OG1-N 3.48Å; T445-E459 VanDerWaalsContact OG1-N 3.13Å; H447-E459 PolarHBondContact O-N 2.99Å; E459-M462 PolarHBondContact O-N 2.93Å; E459-T463 WeakPolarHBondContact O-CB 3.32Å; E459-T463 PolarHBondContact O-N 3.03Å; E459-T463 PolarHBondContact O-OG1 3.26Å
460Q94.4Very high92.1Very high146 Ų14675.2 Ų75.268%0.68238%0.381SS*.Hα-helixtrans-66.4-42.8-179.9-172.761.321.900112.4C458 S464C458-Q460 VanDerWaalsContact C-N 3.28Å; C458-Q460 PolarHBondContact O-N 2.93Å; Q460-S464 WeakPolarHBondContact O-CB 3.35Å; Q460-S464 PolarHBondContact O-N 3.47Å
461C95.2Very high91.9Very high17 Ų1775.6 Ų75.612%0.11538%0.381CS..Hα-helixtrans-67.3-44.6175.7-79.50000111.3C437 Q439 C440 L457 C458 T463 S464 N465C437-C461 VanDerWaalsContact SG-SG 3.66Å; Q439-C461 HydrophobicContact CB-CB 4.4Å; C440-C461 VanDerWaalsContact SG-SG 3.63Å; L457-C461 HydrophobicContact CB-CB 4.47Å; L457-C461 HydrophobicContact CD2-CB 4.44Å; C458-C461 PolarHBondContact O-N 3.37Å; C458-C461 PolarHBondContact SG-N 3.01Å; C458-C461 VanDerWaalsContact SG-SG 3.62Å; C461-T463 PolarHBondContact O-N 3.47Å; C461-S464 PolarHBondContact O-N 3.15Å; C461-N465 WeakPolarHBondContact O-CB 3.44Å; C461-N465 PolarHBondContact O-N 3.13Å; C461-N465 PolarHBondContact O-ND2 3.31Å
462M93.4Very high91.9Very high27 Ų2775.1 Ų75.113%0.13339%0.389CS..Hα-helixtrans-55.6-51176.5-172.2-75.6-59.800111.2L393 K449 C458 E459 N465 Q466L393-M462 HydrophobicContact CD1-CE 3.87Å; K449-M462 HydrophobicContact CB-CG 4.43Å; K449-M462 HydrophobicContact CD-CG 3.75Å; K449-M462 HydrophobicContact CD-SD 4.24Å; C458-M462 WeakPolarHBondContact O-CB 3.34Å; C458-M462 PolarHBondContact O-N 3.06Å; E459-M462 PolarHBondContact O-N 2.93Å; M462-N465 PolarHBondContact O-N 3.07Å; M462-Q466 WeakPolarHBondContact O-CB 3.33Å; M462-Q466 PolarHBondContact O-N 3.46Å
463T90.8Very high91.9Very high64 Ų6468.1 Ų68.139%0.39336%0.36SS..Hα-helixtrans-64.8-41.5178-55.40000112.2E459 C461 Q466 K467E459-T463 WeakPolarHBondContact O-CB 3.32Å; E459-T463 PolarHBondContact O-N 3.03Å; E459-T463 PolarHBondContact O-OG1 3.26Å; C461-T463 PolarHBondContact O-N 3.47Å; T463-Q466 PolarHBondContact O-N 3.22Å; T463-K467 WeakPolarHBondContact O-CB 3.31Å; T463-K467 PolarHBondContact O-N 2.84Å
464S93Very high91.6Very high46 Ų4668 Ų6832%0.32235%0.352SS..Hα-helixtrans-61.6-43.8176.1-174.30000112Q460 C461 K467 K468Q460-S464 WeakPolarHBondContact O-CB 3.35Å; Q460-S464 PolarHBondContact O-N 3.47Å; C461-S464 PolarHBondContact O-N 3.15Å; S464-K467 PolarHBondContact O-N 3.16Å; S464-K468 VanDerWaalsContact O-CG 3.28Å; S464-K468 WeakPolarHBondContact O-CG 3.23Å; S464-K468 PolarHBondContact O-N 3.37Å
465N92.3Very high91.6Very high35 Ų3569.2 Ų69.219%0.18735%0.351CS..Hα-helixtrans-68-41.4177.9-64.6-27.8000112Q439 C461 M462 K467 K468 A469Q439-N465 PolarHBondContact NE2-ND2 3.01Å; Q439-N465 PolarHBondContact OE1-ND2 3.48Å; Q439-N465 PolarHBondContact OE1-OD1 3.12Å; C461-N465 WeakPolarHBondContact O-CB 3.44Å; C461-N465 PolarHBondContact O-N 3.13Å; C461-N465 PolarHBondContact O-ND2 3.31Å; M462-N465 PolarHBondContact O-N 3.07Å; N465-K467 VanDerWaalsContact C-N 3.34Å; N465-K467 PolarHBondContact O-N 3.4Å; N465-K468 PolarHBondContact O-N 3.1Å; N465-A469 WeakPolarHBondContact O-CB 3.49Å; N465-A469 PolarHBondContact O-N 3.03Å
466Q89.9Confident91.4Very high75 Ų7566.9 Ų66.935%0.3535%0.349SS..Hα-helixtrans-61.8-43.2175-168.5168.533.400111.3M462 T463 K468 A469 L470M462-Q466 WeakPolarHBondContact O-CB 3.33Å; M462-Q466 PolarHBondContact O-N 3.46Å; T463-Q466 PolarHBondContact O-N 3.22Å; Q466-K468 PolarHBondContact O-N 2.93Å; Q466-A469 PolarHBondContact O-N 2.8Å; Q466-L470 HydrophobicContact CG-CD1 4.27Å; Q466-L470 WeakPolarHBondContact O-CG 3.26Å; Q466-L470 PolarHBondContact O-N 3.07Å
467K89.5Confident91.1Very high138 Ų13870.5 Ų70.560%0.636%0.361SS*.Hα-helixtrans-62.3-39.2174.2-171.7172.1-174.8171.50112.4T463 S464 N465 K471T463-K467 WeakPolarHBondContact O-CB 3.31Å; T463-K467 PolarHBondContact O-N 2.84Å; S464-K467 PolarHBondContact O-N 3.16Å; N465-K467 VanDerWaalsContact C-N 3.34Å; N465-K467 PolarHBondContact O-N 3.4Å; K467-K471 WeakPolarHBondContact O-CB 3.38Å; K467-K471 VanDerWaalsContact O-CG 3.3Å; K467-K471 WeakPolarHBondContact O-CG 3.46Å; K467-K471 PolarHBondContact O-N 2.83Å; K467-K471 VanDerWaalsContact O-N 3.08Å
468K92.5Very high90.7Very high128 Ų12872.6 Ų72.656%0.55737%0.372SS*.Hα-helixtrans-65.6-44174.1-72.6169-174.1175.90111.8S464 N465 Q466 K471 A472S464-K468 VanDerWaalsContact O-CG 3.28Å; S464-K468 WeakPolarHBondContact O-CG 3.23Å; S464-K468 PolarHBondContact O-N 3.37Å; N465-K468 PolarHBondContact O-N 3.1Å; Q466-K468 PolarHBondContact O-N 2.93Å; K468-K471 PolarHBondContact O-N 2.91Å; K468-A472 WeakPolarHBondContact O-CB 3.26Å; K468-A472 PolarHBondContact O-N 3.46Å
469A89.2Confident90.4Very high59 Ų5978.8 Ų78.849%0.48840%0.398SS..Hα-helixtrans-62.5-48.7178.500000111.8N465 Q466 K471 A472 E473N465-A469 WeakPolarHBondContact O-CB 3.49Å; N465-A469 PolarHBondContact O-N 3.03Å; Q466-A469 PolarHBondContact O-N 2.8Å; A469-K471 VanDerWaalsContact C-N 3.34Å; A469-K471 PolarHBondContact O-N 3.42Å; A469-A472 PolarHBondContact O-N 3.32Å; A469-E473 WeakPolarHBondContact O-CB 3.28Å; A469-E473 PolarHBondContact O-N 3.12Å
470L86.8Confident90.2Very high45 Ų4578.6 Ų78.624%0.23640%0.4CS..Hα-helixtrans-63.5-37.7177.4-66.6173.4000112.4P387 Q466 H474P387-L470 HydrophobicContact CB-CB 4.39Å; P387-L470 HydrophobicContact CB-CD2 4.15Å; P387-L470 HydrophobicContact CG-CB 4.43Å; Q466-L470 HydrophobicContact CG-CD1 4.27Å; Q466-L470 WeakPolarHBondContact O-CG 3.26Å; Q466-L470 PolarHBondContact O-N 3.07Å; L470-H474 WeakPolarHBondContact O-CB 3.42Å; L470-H474 PolarHBondContact O-N 2.65Å
471K89.1Confident89.7Confident136 Ų13672.7 Ų72.759%0.59138%0.376SS*.Hα-helixtrans-63.1-48.2171.8-80.4-175.9171.6-160.80111.8K467 K468 A469 E473 H474 T475K467-K471 WeakPolarHBondContact O-CB 3.38Å; K467-K471 VanDerWaalsContact O-CG 3.3Å; K467-K471 WeakPolarHBondContact O-CG 3.46Å; K467-K471 PolarHBondContact O-N 2.83Å; K467-K471 VanDerWaalsContact O-N 3.08Å; K468-K471 PolarHBondContact O-N 2.91Å; A469-K471 VanDerWaalsContact C-N 3.34Å; A469-K471 PolarHBondContact O-N 3.42Å; K471-E473 VanDerWaalsContact C-N 3.32Å; K471-E473 PolarHBondContact O-N 2.85Å; K471-H474 PolarHBondContact O-N 3.27Å; K471-T475 PolarHBondContact O-N 3.39Å; K471-T475 PolarHBondContact O-OG1 2.95Å; K471-T475 VanDerWaalsContact O-OG1 3.12Å
472A91Very high89.2Confident60 Ų6077.4 Ų77.450%0.49640%0.395SS..Hα-helixtrans-61.8-40.817900000111.6K468 A469 T475 N476K468-A472 WeakPolarHBondContact O-CB 3.26Å; K468-A472 PolarHBondContact O-N 3.46Å; A469-A472 PolarHBondContact O-N 3.32Å; A472-T475 PolarHBondContact O-N 2.99Å; A472-N476 VanDerWaalsContact O-CB 3.27Å; A472-N476 WeakPolarHBondContact O-CB 3.48Å; A472-N476 PolarHBondContact O-N 3.42Å
473E88.1Confident89.1Confident80 Ų8080.7 Ų80.737%0.37442%0.416SS..Hα-helixtrans-60.8-49.1174.1-167.7-161.3159.300111.5A469 K471 T475 N476 R477A469-E473 WeakPolarHBondContact O-CB 3.28Å; A469-E473 PolarHBondContact O-N 3.12Å; K471-E473 VanDerWaalsContact C-N 3.32Å; K471-E473 PolarHBondContact O-N 2.85Å; E473-T475 PolarHBondContact O-N 3.08Å; E473-N476 WeakPolarHBondContact O-CB 3.42Å; E473-N476 PolarHBondContact O-N 2.78Å; E473-N476 VanDerWaalsContact O-N 3.11Å; E473-R477 WeakPolarHBondContact O-CG 3.3Å; E473-R477 PolarHBondContact O-N 2.85Å; E473-R477 IonicContact OE1-CZ 3.75Å; E473-R477 IonicContact OE1-NE 2.66Å; E473-R477 PolarHBondContact OE1-NE 3.03Å; E473-R477 IonicContact OE1-NH2 3.75Å; E473-R477 PolarHBondContact OE1-NH2 3.31Å
474H85.3Confident88.9Confident64 Ų6485.1 Ų85.130%0.29643%0.43SS..Hα-helixtrans-61.4-44.3177.5179.371.9000112L470 K471 N476 R477 L478L470-H474 WeakPolarHBondContact O-CB 3.42Å; L470-H474 PolarHBondContact O-N 2.65Å; K471-H474 PolarHBondContact O-N 3.27Å; H474-N476 VanDerWaalsContact C-N 3.29Å; H474-N476 PolarHBondContact O-N 2.84Å; H474-R477 PolarHBondContact O-N 2.97Å; H474-L478 WeakPolarHBondContact O-CG 3.42Å; H474-L478 PolarHBondContact O-N 2.85Å
475T89.6Confident88.3Confident66 Ų6683.5 Ų83.541%0.40542%0.419SS..Hα-helixtrans-62-34.8172.8-59.10000112.4K471 A472 E473 K479K471-T475 PolarHBondContact O-N 3.39Å; K471-T475 PolarHBondContact O-OG1 2.95Å; K471-T475 VanDerWaalsContact O-OG1 3.12Å; A472-T475 PolarHBondContact O-N 2.99Å; E473-T475 PolarHBondContact O-N 3.08Å; T475-K479 HydrophobicContact CG2-CD 4.35Å; T475-K479 WeakPolarHBondContact O-CB 3.34Å; T475-K479 WeakPolarHBondContact O-CG 3.26Å; T475-K479 PolarHBondContact O-N 2.59Å
476N91.5Very high88Confident89 Ų8986.4 Ų86.448%0.47643%0.434SS..Hα-helixtrans-69.9-44176.5-164-64.1000111.2A472 E473 H474 L478 K479 N480A472-N476 VanDerWaalsContact O-CB 3.27Å; A472-N476 WeakPolarHBondContact O-CB 3.48Å; A472-N476 PolarHBondContact O-N 3.42Å; E473-N476 WeakPolarHBondContact O-CB 3.42Å; E473-N476 PolarHBondContact O-N 2.78Å; E473-N476 VanDerWaalsContact O-N 3.11Å; H474-N476 VanDerWaalsContact C-N 3.29Å; H474-N476 PolarHBondContact O-N 2.84Å; N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 3.13Å; N476-K479 PolarHBondContact O-N 3.35Å; N476-N480 VanDerWaalsContact O-CG 3.24Å; N476-N480 PolarHBondContact O-N 3.41Å; N476-N480 PolarHBondContact O-ND2 3.31Å; N476-N480 PolarHBondContact OD1-ND2 2.9Å
477R88.3Confident87.9Confident109 Ų10988.2 Ų88.241%0.41144%0.443SS..Hα-helixtrans-55.5-46.9171.8-68.9174.5-178.6-148.51111.6E473 H474 N480 A481E473-R477 WeakPolarHBondContact O-CG 3.3Å; E473-R477 PolarHBondContact O-N 2.85Å; E473-R477 IonicContact OE1-CZ 3.75Å; E473-R477 IonicContact OE1-NE 2.66Å; E473-R477 PolarHBondContact OE1-NE 3.03Å; E473-R477 IonicContact OE1-NH2 3.75Å; E473-R477 PolarHBondContact OE1-NH2 3.31Å; H474-R477 PolarHBondContact O-N 2.97Å; R477-N480 PolarHBondContact O-N 3.34Å; R477-A481 PolarHBondContact O-N 3.33Å
478L86.2Confident87.6Confident46 Ų4685.8 Ų85.824%0.24143%0.433CS..Hα-helixtrans-58.7-51.7174.4-76.7165.8000112L381 I384 H474 N476 N480 A481 F482L381-L478 HydrophobicContact CD2-CD2 3.62Å; I384-L478 HydrophobicContact CD1-CD2 3.79Å; I384-L478 HydrophobicContact CD1-CG 4.23Å; H474-L478 WeakPolarHBondContact O-CG 3.42Å; H474-L478 PolarHBondContact O-N 2.85Å; N476-L478 VanDerWaalsContact C-N 3.34Å; N476-L478 PolarHBondContact O-N 3.13Å; L478-N480 VanDerWaalsContact C-N 3.32Å; L478-N480 PolarHBondContact O-N 3.42Å; L478-A481 WeakPolarHBondContact O-CB 3.4Å; L478-A481 PolarHBondContact O-N 3.38Å; L478-A481 VanDerWaalsContact O-N 3.13Å; L478-F482 WeakPolarHBondContact O-CD2 3.37Å; L478-F482 PolarHBondContact O-N 2.83Å
479K88.9Confident87.1Confident136 Ų13681.7 Ų81.759%0.59142%0.416SS*.Hα-helixtrans-57.4-43.3178.3-76.1176.8177.3-172.90112.2T475 N476 A481 F482 V483T475-K479 HydrophobicContact CG2-CD 4.35Å; T475-K479 WeakPolarHBondContact O-CB 3.34Å; T475-K479 WeakPolarHBondContact O-CG 3.26Å; T475-K479 PolarHBondContact O-N 2.59Å; N476-K479 PolarHBondContact O-N 3.35Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.04Å; K479-F482 PolarHBondContact O-N 3.48Å; K479-V483 WeakPolarHBondContact O-CG2 3.34Å; K479-V483 PolarHBondContact O-N 2.98Å
480N88.8Confident87Confident85 Ų8584.1 Ų84.146%0.45542%0.417SS..Hα-helixtrans-66.2-35.3177.8-66.2-27.2000112.3N476 R477 L478 K484N476-N480 VanDerWaalsContact O-CG 3.24Å; N476-N480 PolarHBondContact O-N 3.41Å; N476-N480 PolarHBondContact O-ND2 3.31Å; N476-N480 PolarHBondContact OD1-ND2 2.9Å; R477-N480 PolarHBondContact O-N 3.34Å; L478-N480 VanDerWaalsContact C-N 3.32Å; L478-N480 PolarHBondContact O-N 3.42Å; N480-K484 WeakPolarHBondContact O-CB 3.46Å; N480-K484 WeakPolarHBondContact O-CG 3.22Å; N480-K484 PolarHBondContact O-N 2.95Å
481A84.4Confident87.1Confident21 Ų2185.9 Ų85.917%0.17442%0.424CS..Hα-helixtrans-63.3-46.5172.200000111.1L381 I384 R477 L478 K479 V483 K484 A485L381-A481 HydrophobicContact CD2-CB 4.34Å; I384-A481 HydrophobicContact CD1-CB 4.43Å; R477-A481 PolarHBondContact O-N 3.33Å; L478-A481 WeakPolarHBondContact O-CB 3.4Å; L478-A481 PolarHBondContact O-N 3.38Å; L478-A481 VanDerWaalsContact O-N 3.13Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.04Å; A481-V483 PolarHBondContact O-N 3.36Å; A481-K484 PolarHBondContact O-N 3.07Å; A481-A485 VanDerWaalsContact O-CB 3.31Å; A481-A485 WeakPolarHBondContact O-CB 3.48Å; A481-A485 PolarHBondContact O-N 2.84Å
482F85.2Confident86.8Confident117 Ų11782.2 Ų82.251%0.51341%0.411SS..Hα-helixtrans-64.3-36.2175.9-74.4-65.1000113.9L381 L478 K479 A485 L486L381-F482 HydrophobicContact CD1-CD1 4.4Å; L381-F482 HydrophobicContact CD1-CE1 3.58Å; L381-F482 HydrophobicContact CD1-CZ 3.67Å; L381-F482 HydrophobicContact CD2-CD2 4.36Å; L381-F482 HydrophobicContact CD2-CE1 4.21Å; L381-F482 HydrophobicContact CD2-CE2 3.79Å; L381-F482 HydrophobicContact CD2-CZ 3.71Å; L381-F482 HydrophobicContact CG-CZ 4.37Å; L478-F482 WeakPolarHBondContact O-CD2 3.37Å; L478-F482 PolarHBondContact O-N 2.83Å; K479-F482 PolarHBondContact O-N 3.48Å; F482-A485 VanDerWaalsContact O-CB 3.32Å; F482-A485 WeakPolarHBondContact O-CB 3.21Å; F482-A485 PolarHBondContact O-N 2.83Å; F482-L486 WeakPolarHBondContact O-CB 3.27Å; F482-L486 PolarHBondContact O-N 3.34Å
483V90.1Very high86.5Confident96 Ų9682.5 Ų82.558%0.58240%0.402SS*.Hα-helixtrans-68.8-43.7175.7171.10000110.8K479 A481 A485 L486 Q487K479-V483 WeakPolarHBondContact O-CG2 3.34Å; K479-V483 PolarHBondContact O-N 2.98Å; A481-V483 PolarHBondContact O-N 3.36Å; V483-A485 VanDerWaalsContact C-N 3.29Å; V483-A485 PolarHBondContact O-N 3.41Å; V483-L486 PolarHBondContact O-N 3.25Å; V483-Q487 WeakPolarHBondContact O-CB 3.47Å; V483-Q487 PolarHBondContact O-N 2.85Å
484K86.9Confident86.5Confident157 Ų15784.5 Ų84.568%0.68341%0.411SS*.Hα-helixtrans-61.7-38.7173.7-74.3-178.8176.3-171.30112.1N480 A481 Q487 Q488N480-K484 WeakPolarHBondContact O-CB 3.46Å; N480-K484 WeakPolarHBondContact O-CG 3.22Å; N480-K484 PolarHBondContact O-N 2.95Å; A481-K484 PolarHBondContact O-N 3.07Å; K484-Q487 PolarHBondContact O-N 3.09Å; K484-Q488 WeakPolarHBondContact O-CB 3.3Å; K484-Q488 PolarHBondContact O-N 3.38Å
485A80.4Confident86.4Confident11 Ų1188.6 Ų88.69%0.09142%0.424CS..Hα-helixtrans-56.6-53.6174.200000112.3L377 A481 F482 V483 Q487 Q488 E489L377-A485 HydrophobicContact CD1-CB 3.54Å; L377-A485 HydrophobicContact CD2-CB 3.33Å; L377-A485 HydrophobicContact CG-CB 3.98Å; A481-A485 VanDerWaalsContact O-CB 3.31Å; A481-A485 WeakPolarHBondContact O-CB 3.48Å; A481-A485 PolarHBondContact O-N 2.84Å; F482-A485 VanDerWaalsContact O-CB 3.32Å; F482-A485 WeakPolarHBondContact O-CB 3.21Å; F482-A485 PolarHBondContact O-N 2.83Å; V483-A485 VanDerWaalsContact C-N 3.29Å; V483-A485 PolarHBondContact O-N 3.41Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 2.79Å; A485-Q488 PolarHBondContact O-N 3.08Å; A485-E489 PolarHBondContact O-N 3.29Å
486L86.3Confident86Confident97 Ų9787 Ų8751%0.50841%0.413SS..Hα-helixtrans-64.4-39.3-178.9-16968.8000111.5F482 V483 E489 Q490F482-L486 WeakPolarHBondContact O-CB 3.27Å; F482-L486 PolarHBondContact O-N 3.34Å; V483-L486 PolarHBondContact O-N 3.25Å; L486-E489 PolarHBondContact O-N 3.37Å; L486-Q490 WeakPolarHBondContact O-CG 3.46Å; L486-Q490 PolarHBondContact O-N 3.15Å
487Q88.8Confident85.6Confident113 Ų11388.4 Ų88.453%0.52842%0.416SS..Hα-helixtrans-63.9-40.2175.7-171.861.370.400112.2V483 K484 A485 Q490 E491V483-Q487 WeakPolarHBondContact O-CB 3.47Å; V483-Q487 PolarHBondContact O-N 2.85Å; K484-Q487 PolarHBondContact O-N 3.09Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 2.79Å; Q487-Q490 PolarHBondContact O-N 3.46Å; Q487-E491 PolarHBondContact O-N 2.93Å
488Q82Confident85.3Confident87 Ų8788.5 Ų88.541%0.40742%0.421SS..Hα-helixtrans-71.2-34.6177.6-164.6179.6-4.100111.9L373 K484 A485 E491 I492L373-Q488 HydrophobicContact CD1-CB 4.43Å; L373-Q488 VanDerWaalsContact CD1-CD 3.44Å; L373-Q488 HydrophobicContact CD1-CG 3.8Å; K484-Q488 WeakPolarHBondContact O-CB 3.3Å; K484-Q488 PolarHBondContact O-N 3.38Å; A485-Q488 PolarHBondContact O-N 3.08Å; Q488-E491 PolarHBondContact O-N 2.96Å; Q488-I492 HydrophobicContact CG-CD1 4.34Å; Q488-I492 WeakPolarHBondContact O-CG1 3.38Å; Q488-I492 PolarHBondContact O-N 2.9Å; Q488-I492 VanDerWaalsContact O-N 3.13Å
489E81.5Confident84.7Confident42 Ų4292.4 Ų92.420%0.19644%0.438CS..Hα-helixtrans-62.6-46.1171.9-170.2170.5-172.900110.8K370 L373 R374 A485 L486 I492 E493K370-E489 WeakPolarHBondContact CE-OE1 3.2Å; K370-E489 IonicContact NZ-OE1 3.81Å; K370-E489 PolarHBondContact NZ-OE1 2.69Å; L373-E489 HydrophobicContact CD2-CB 3.83Å; L373-E489 HydrophobicContact CD2-CG 4.38Å; R374-E489 IonicContact NH2-OE1 2.83Å; A485-E489 PolarHBondContact O-N 3.29Å; L486-E489 PolarHBondContact O-N 3.37Å; E489-I492 PolarHBondContact O-N 3.1Å; E489-E493 PolarHBondContact O-N 3.25Å
490Q87.5Confident83.8Confident109 Ų10988.4 Ų88.451%0.50943%0.431SS..Hα-helixtrans-64.9-37.9176.2-71.4178.54.200113.5L486 Q487 E493 Q494L486-Q490 WeakPolarHBondContact O-CG 3.46Å; L486-Q490 PolarHBondContact O-N 3.15Å; Q487-Q490 PolarHBondContact O-N 3.46Å; Q490-E493 PolarHBondContact O-N 3.45Å; Q490-Q494 WeakPolarHBondContact O-CB 3.35Å; Q490-Q494 PolarHBondContact O-N 2.86Å
491E88.8Confident82.6Confident82 Ų8288.4 Ų88.438%0.38344%0.443SS..Hα-helixtrans-65.3-39.9177.1-168-171.6157.800111.6Q487 Q488 Q494 R495Q487-E491 PolarHBondContact O-N 2.93Å; Q488-E491 PolarHBondContact O-N 2.96Å; E491-Q494 PolarHBondContact O-N 2.87Å; E491-R495 WeakPolarHBondContact O-CB 3.25Å; E491-R495 VanDerWaalsContact O-CG 3.29Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.12Å; E491-R495 IonicContact OE1-CZ 2.69Å; E491-R495 IonicContact OE1-NE 2.9Å; E491-R495 PolarHBondContact OE1-NE 2.98Å; E491-R495 IonicContact OE1-NH2 3.83Å; E491-R495 PolarHBondContact OE1-NH2 3.33Å
492I83.2Confident81.3Confident60 Ų6094 Ų9431%0.30847%0.469SS..Hα-helixtrans-67.4-44.2177-69166.4000110.8L373 Q488 E489 Q494 R495 L496L373-I492 HydrophobicContact CD1-CD1 3.77Å; L373-I492 HydrophobicContact CD2-CD1 4.16Å; L373-I492 HydrophobicContact CG-CD1 4.45Å; Q488-I492 HydrophobicContact CG-CD1 4.34Å; Q488-I492 WeakPolarHBondContact O-CG1 3.38Å; Q488-I492 PolarHBondContact O-N 2.9Å; Q488-I492 VanDerWaalsContact O-N 3.13Å; E489-I492 PolarHBondContact O-N 3.1Å; I492-Q494 PolarHBondContact O-N 3.27Å; I492-R495 PolarHBondContact O-N 2.84Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 PolarHBondContact O-N 3.3Å
493E84.7Confident79.3Confident65 Ų6591.9 Ų91.930%0.30447%0.469SS..Hα-helixtrans-56.5-49.4174.8-148.886.6-101.500110.2Q366 K370 E489 Q490 L496 Q497Q366-E493 PolarHBondContact NE2-OE1 3.2Å; K370-E493 IonicContact NZ-OE2 2.82Å; K370-E493 PolarHBondContact NZ-OE2 3.38Å; K370-E493 VanDerWaalsContact NZ-OE2 3.07Å; E489-E493 PolarHBondContact O-N 3.25Å; Q490-E493 PolarHBondContact O-N 3.45Å; E493-L496 PolarHBondContact O-N 3.31Å; E493-Q497 PolarHBondContact O-N 3.45Å; E493-Q497 PolarHBondContact O-OE1 2.78Å
494Q88.4Confident77.2Confident123 Ų12392.6 Ų92.658%0.57548%0.475SS*.Hα-helixtrans-63.4-45.1178.6-178.31779300113.3Q490 E491 I492 L496 Q497 Q498Q490-Q494 WeakPolarHBondContact O-CB 3.35Å; Q490-Q494 PolarHBondContact O-N 2.86Å; E491-Q494 PolarHBondContact O-N 2.87Å; I492-Q494 PolarHBondContact O-N 3.27Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 3.41Å; Q494-Q497 PolarHBondContact O-N 3.46Å; Q494-Q498 WeakPolarHBondContact O-CG 3.26Å; Q494-Q498 PolarHBondContact O-N 3.26Å
495R83.5Confident75.1Confident150 Ų15091.1 Ų91.157%0.56649%0.485SS*.Hα-helixtrans-60.9-37.8177.2-77.4175.4-179.5-107.66.2111.4E491 I492 Q498 Q499E491-R495 WeakPolarHBondContact O-CB 3.25Å; E491-R495 VanDerWaalsContact O-CG 3.29Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.12Å; E491-R495 IonicContact OE1-CZ 2.69Å; E491-R495 IonicContact OE1-NE 2.9Å; E491-R495 PolarHBondContact OE1-NE 2.98Å; E491-R495 IonicContact OE1-NH2 3.83Å; E491-R495 PolarHBondContact OE1-NH2 3.33Å; I492-R495 PolarHBondContact O-N 2.84Å; R495-Q498 PolarHBondContact O-N 3.49Å; R495-Q499 WeakPolarHBondContact O-CG 3.35Å; R495-Q499 PolarHBondContact O-N 3.34Å; R495-Q499 VanDerWaalsContact O-N 3.08Å
496L81Confident73.4Confident33 Ų3395.9 Ų95.917%0.17352%0.517CS..Hα-helixtrans-74.1-39.2178.5-173.263.1000112.3Q366 I492 E493 Q494 Q498 Q499 A500Q366-L496 HydrophobicContact CB-CD2 3.5Å; Q366-L496 HydrophobicContact CG-CD2 3.3Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 PolarHBondContact O-N 3.3Å; E493-L496 PolarHBondContact O-N 3.31Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 3.41Å; L496-Q498 VanDerWaalsContact C-N 3.26Å; L496-Q498 PolarHBondContact O-N 2.99Å; L496-Q499 PolarHBondContact O-N 2.9Å; L496-Q499 VanDerWaalsContact O-N 3.11Å; L496-A500 PolarHBondContact O-N 3.21Å
497Q82.4Confident71.4Confident117 Ų11795.9 Ų95.955%0.54753%0.531SS..Hα-helixtrans-57.6-39.7170.4-115.880.453.700111.9E493 Q494 A500 A501E493-Q497 PolarHBondContact O-N 3.45Å; E493-Q497 PolarHBondContact O-OE1 2.78Å; Q494-Q497 PolarHBondContact O-N 3.46Å; Q497-A500 PolarHBondContact O-N 3.12Å; Q497-A501 WeakPolarHBondContact O-CB 3.44Å; Q497-A501 PolarHBondContact O-N 3.48Å
498Q81.7Confident69Low111 Ų11195.5 Ų95.552%0.51955%0.547SS..Hα-helixtrans-66.1-38.7174.3-73.2177.816.200112.4Q494 R495 L496 A501 L502Q494-Q498 WeakPolarHBondContact O-CG 3.26Å; Q494-Q498 PolarHBondContact O-N 3.26Å; R495-Q498 PolarHBondContact O-N 3.49Å; L496-Q498 VanDerWaalsContact C-N 3.26Å; L496-Q498 PolarHBondContact O-N 2.99Å; Q498-A501 PolarHBondContact O-N 2.98Å; Q498-L502 VanDerWaalsContact O-CG 3.26Å; Q498-L502 WeakPolarHBondContact O-CG 3.48Å; Q498-L502 PolarHBondContact O-N 2.88Å
499Q73.8Confident66.8Low128 Ų12898.5 Ų98.560%0.59857%0.572SS**Hα-helixtrans-66.7-38.5174.9-74179.6-9.300112.4R495 L496 A501 L502R495-Q499 WeakPolarHBondContact O-CG 3.35Å; R495-Q499 PolarHBondContact O-N 3.34Å; R495-Q499 VanDerWaalsContact O-N 3.08Å; L496-Q499 PolarHBondContact O-N 2.9Å; L496-Q499 VanDerWaalsContact O-N 3.11Å; Q499-A501 VanDerWaalsContact C-N 3.34Å; Q499-A501 PolarHBondContact O-N 3.42Å; Q499-L502 PolarHBondContact O-N 3.47Å
500A70.3Confident64.7Low52 Ų5299.9 Ų99.943%0.4360%0.597SS.*Hα-helixtrans-62.3-40.6173.600000111.9L496 Q497 L502L496-A500 PolarHBondContact O-N 3.21Å; Q497-A500 PolarHBondContact O-N 3.12Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 3.5Å
501A63.8Low62.2Low86 Ų8699.6 Ų99.671%0.71161%0.607SS**Hα-helixtrans-70.5-15.4177.700000114.7Q497 Q498 Q499Q497-A501 WeakPolarHBondContact O-CB 3.44Å; Q497-A501 PolarHBondContact O-N 3.48Å; Q498-A501 PolarHBondContact O-N 2.98Å; Q499-A501 VanDerWaalsContact C-N 3.34Å; Q499-A501 PolarHBondContact O-N 3.42Å
502L57.1Low59.6Low139 Ų139102.6 Ų102.673%0.72863%0.626SS**THydrogen-bonded Turntrans-101.89.6-176.9-71171.8000114.1Q498 Q499 A500 P504Q498-L502 VanDerWaalsContact O-CG 3.26Å; Q498-L502 WeakPolarHBondContact O-CG 3.48Å; Q498-L502 PolarHBondContact O-N 2.88Å; Q499-L502 PolarHBondContact O-N 3.47Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 3.5Å; L502-P504 VanDerWaalsContact O-CD 3.3Å; L502-P504 WeakPolarHBondContact O-CD 3.41Å
503S43.2Very low57.5Low72 Ų72105.7 Ų105.750%0.50365%0.648SS.*  trans-78.6114.3175.4-63.60000111S505S503-S505 PolarHBondContact O-N 3.36Å
504P45.4Very low55.5Low110 Ų110107.4 Ų107.471%0.71467%0.667SS**  trans-76.7112.2179.230.9-32.8000110.3L502 S506L502-P504 VanDerWaalsContact O-CD 3.3Å; L502-P504 WeakPolarHBondContact O-CD 3.41Å; P504-S506 PolarHBondContact O-N 3.06Å
505S44Very low53.2Low127 Ų127110.4 Ų110.489%0.88868%0.678SS**  trans-68.1102.5169.6-170.20000109.5S503S503-S505 PolarHBondContact O-N 3.36Å
506S44Very low51.2Low110 Ų110109.6 Ų109.677%0.76969%0.69SS**  trans-121.979.7-176.4-64.40000110.7P504P504-S506 PolarHBondContact O-N 3.06Å
507A44Very low49Very low97 Ų97115.5 Ų115.580%0.80272%0.722SS**  trans-151.179.3170.200000112.2
508A38Very low46.9Very low105 Ų105115.2 Ų115.287%0.86873%0.728SS**  trans-152.7115.8158.500000109
509T37.3Very low44.9Very low151 Ų151118.4 Ų118.493%0.92675%0.745SS**  trans-125.8125.4-177.5-510000110.5
510G36.8Very low43.7Very low70 Ų70120.6 Ų120.672%0.72276%0.759SS**  trans99.9140.1167.200000115.2
511S36Very low42.2Very low103 Ų103127.7 Ų127.772%0.7278%0.775SS**  cis-165.4159.7-11.3400000111.6
512N34.1Very low41.1Very low146 Ų146133.3 Ų133.378%0.78179%0.786SS**  trans86.3116.1154.7-64.7-16.7000122.6
513V38.6Very low40.3Very low125 Ų125132.8 Ų132.876%0.75878%0.78SS**  trans89.494.4131.6178.20000120
514S41.4Very low40Very low101 Ų101134.1 Ų134.171%0.70680%0.795SS**  87.6123.5128.4-70.60000123.7
515K40.7Very low39.6Very low185 Ų185136 Ų13680%0.80480%0.798SS**  trans81.9100.2145.3-71.6-180177.7178.80120.1
516T42.1Very low39.3Very low134 Ų134139.7 Ų139.782%0.82279%0.793SS**  trans52.8103.6130.857.80000119
517D34.3Very low38.6Very low157 Ų157141.2 Ų141.284%0.8479%0.788SS**  -153.8161.993.5-169.631.9000111.1
518T38.8Very low37.9Very low111 Ų111140.8 Ų140.868%0.68178%0.784SS**  trans-136.5121-172.631.50000112.1
519M40.3Very low37.4Very low178 Ų178145.4 Ų145.488%0.87779%0.788SS**  173.196.7116.2-90.8-166-147.400112.3
520I47.5Very low37.1Very low174 Ų174146.9 Ų146.989%0.89278%0.784SS**  trans-123.1110.9144.4-67.2178.1000105.7
521R39.9Very low37.7Very low201 Ų201148.9 Ų148.976%0.75878%0.784SS**  trans-145.476.7-177.3-151.2179.1-170.2-172.60.6111.8H523R521-H523 PolarHBondContact NE-CD2 2.94Å; R521-H523 PolarHBondContact O-N 3.33Å; R521-H523 VanDerWaalsContact O-N 3.1Å
522Q38.8Very low37.4Very low203 Ų203153.5 Ų153.595%0.94980%0.795SS**  trans-72.197.6161.3-76.4-175.1-14.300108.9
523H41Very low37.3Very low129 Ų129151 Ų15160%0.59779%0.794SS**  trans-105.5125.2165.5-115.6-80.1000108.3R521R521-H523 PolarHBondContact NE-CD2 2.94Å; R521-H523 PolarHBondContact O-N 3.33Å; R521-H523 VanDerWaalsContact O-N 3.1Å
524A36.9Very low36.9Very low99 Ų99150.3 Ų150.382%0.81880%0.795SS**  trans-130.2102.2167.200000109
525L37.8Very low36.4Very low150 Ų150152.7 Ų152.779%0.78580%0.799SS**  trans-153.9138.6174-95.7176.6000110.5
526R37.6Very low36Very low205 Ų205150.5 Ų150.577%0.77479%0.792SS**  trans67.5145168.5-86-177.470.8163.2-0.7116.4
527Q28.8Very low35.5Very low141 Ų141154.7 Ų154.766%0.65979%0.792SS**  cis-161158.1-2.7-148.5173.77.400113.9
528A29.5Very low35.2Very low89 Ų89150.3 Ų150.374%0.73678%0.784SS**  trans9.8141.3153.100000123
529Q27.2Very low34.9Very low202 Ų202153.5 Ų153.594%0.94480%0.796SS**  trans-153.2141.9139.8-125.3172.7-7.300113.5
530Q30.9Very low34.4Very low182 Ų182150.9 Ų150.985%0.8580%0.795SS**  trans-161.5159.5171.1-139.1-159.925.700106.5
531P49.7Very low33.5Very low111 Ų111150.5 Ų150.572%0.72180%0.795SS**  -115.6161.9-52.433.8-21.3000112.4
532Q28.8Very low33.2Very low201 Ų201146.3 Ų146.394%0.93980%0.796SS**  trans-154151.4151.9-131.8175.9-3.900112.1
533A32.2Very low32.9Very low93 Ų93140.6 Ų140.677%0.76978%0.784SS**  trans-101143.1-171.400000112.8
534S30.3Very low32.5Very low111 Ų111146.9 Ų146.978%0.77680%0.803SS**  trans-178.4131.613236.40000113.9
535L32.2Very low32.3Very low150 Ų150145.5 Ų145.579%0.78580%0.798SS**  trans46.3124.8140.2-63.8172.1000123.1
536Q31.9Very low32.9Very low139 Ų139145.1 Ų145.165%0.6580%0.802SS**  trans85.3112.6133.8-72.8-173.339.300122.3
537R31.3Very low33.2Very low223 Ų223143.4 Ų143.484%0.84281%0.807SS**  85.9109.7121.3-163.2-166.8-57.5-174.13.8119.1
538G29Very low33.6Very low64 Ų64141.6 Ų141.666%0.6681%0.81SS**  12095.1123.200000119.8
539L32.1Very low34Very low178 Ų178145 Ų14593%0.93282%0.816SS**  trans60.9110.5142.6-54177.3000120.3
540S28.8Very low34.5Very low124 Ų124145.5 Ų145.587%0.86782%0.815SS**  trans-100144.3160.5-59.20000111.5
541N29.9Very low35.2Very low165 Ų165141.4 Ų141.488%0.88281%0.812SS**  trans-101.1132.1171-1160.3000111.6
542S31.9Very low34.5Very low113 Ų113144.6 Ų144.679%0.7982%0.818SS**  trans52.9124.9147.1-146.40000123.5
543A33.5Very low34.5Very low84 Ų84140 Ų14069%0.69481%0.814SS**  trans68.1100.2138.400000121.9
544R31.9Very low34.5Very low260 Ų260140.2 Ų140.298%0.98181%0.81SS**  178.8136.4113.1-94.9173.9-162.5-149.55.8109.7
545G32.8Very low34.7Very low70 Ų70144 Ų14472%0.72282%0.815SS**  trans148.571.7174.900000114.8
546V50.6Low34.6Very low142 Ų142144.5 Ų144.586%0.86182%0.818SS**  trans-78.8145.4164.8-173.30000107.9
547L44.8Very low34.4Very low169 Ų169143 Ų14389%0.88582%0.823SS**SBendtrans87.248.6-179.3-49.3179.4000118.2
548S35.9Very low34.3Very low104 Ų104139.3 Ų139.373%0.72783%0.825SS**  trans-152.187.8154.963.40000112.8
549N38.5Very low34.3Very low160 Ų160140.5 Ų140.586%0.85683%0.828SS**  trans-15868.9167.7-127.814.9000114.3
550F38.3Very low34.2Very low213 Ų213137.7 Ų137.793%0.93482%0.824SS**SBendtrans-143.647.7164.9-152.7-94.9000112.4
551A44.1Very low34.3Very low95 Ų95137.7 Ų137.779%0.78582%0.824SS**  trans-154.958.2178.100000113.6
552Q35.1Very low34.4Very low178 Ų178138 Ų13883%0.83282%0.824SS**  trans-141.293.1161.2-103.417711.900110.3S554Q552-S554 PolarHBondContact O-N 3.34Å
553A30.2Very low34.6Very low104 Ų104141.4 Ų141.486%0.8683%0.83SS**  trans-8499.116600000108.3Q555A553-Q555 PolarHBondContact O-N 3.5Å
554S30.8Very low34.3Very low99 Ų99140.8 Ų140.869%0.69283%0.832SS**  trans-67.1121.6175.5-59.70000110.7Q552 L556Q552-S554 PolarHBondContact O-N 3.34Å; S554-L556 PolarHBondContact O-N 3.31Å
555Q34.5Very low34.3Very low189 Ų189137.1 Ų137.188%0.88383%0.828SS**  trans-56.7114.6167.3-67.3-84.6-4.200109.2A553A553-Q555 PolarHBondContact O-N 3.5Å
556L30Very low34.1Very low161 Ų161139 Ų13984%0.84383%0.831SS**  trans-99.298.9170.2-77.7177000110.1S554S554-L556 PolarHBondContact O-N 3.31Å
557S28.4Very low33.2Very low109 Ų109138.5 Ų138.576%0.76283%0.833SS**  trans-61.8128.1164.9-177.30000110.1A559S557-A559 PolarHBondContact O-N 3.03Å
558V30.1Very low32.6Very low145 Ų145134 Ų13488%0.87983%0.828SS**  trans-82.989.9170.8-83.80000109.8
559A27.8Very low32.5Very low88 Ų88137.7 Ų137.773%0.72784%0.839SS**  trans-88.2118.317000000110.5S557S557-A559 PolarHBondContact O-N 3.03Å
560S30.8Very low32.2Very low119 Ų119137 Ų13783%0.83284%0.835SS**  trans-66.7133.4167.3-64.40000110.3
561S29.8Very low32Very low125 Ų125134.9 Ų134.987%0.87483%0.832SS**  trans-144.6126.6153-75.90000110.9
562L33.5Very low31.4Very low171 Ų171134.5 Ų134.590%0.89583%0.828SS**  trans-90149.8-179.4-177.176.9000109.3
563M34.7Very low31.3Very low184 Ų184135.5 Ų135.591%0.90683%0.826SS**  trans159.996.1153.5-86.6-84.9-90.200106.5
564G26.7Very low31.6Very low72 Ų72138.9 Ų138.974%0.74283%0.829SS**  100.7136.391.700000108.9
565M32.6Very low31.6Very low182 Ų182139.4 Ų139.490%0.89782%0.824SS**  cis-142.7128.616.2-67.3162.361.200108.6
566S29.9Very low31.6Very low110 Ų110136.2 Ų136.277%0.76982%0.82SS**  82.68991.7-53.10000116.4
567S31.4Very low31.7Very low131 Ų131132.7 Ų132.792%0.91681%0.814SS**  trans-176.8121.1142.5-79.20000108.1
568G31.6Very low32.1Very low76 Ų76132 Ų13278%0.78482%0.815SS**  cis153.349.53.900000112.4
569L33.2Very low32.5Very low181 Ų181131 Ų13195%0.94881%0.808SS**  trans-131.9129.6171.8-72.6178.2000110.6
570N32.9Very low32.9Very low145 Ų145129.8 Ų129.878%0.77580%0.804SS**  trans-113.7113.7-170.6-173.6-25.5000108.9A572N570-A572 PolarHBondContact OD1-N 3.14Å
571I33.1Very low33Very low168 Ų168128.8 Ų128.886%0.86280%0.803SS**  trans-129.686.4165.3-60.7-176.1000108.1
572A32.6Very low33.3Very low87 Ų87131.3 Ų131.372%0.71980%0.801SS**  trans-85.8104.2156.400000108.8N570N570-A572 PolarHBondContact OD1-N 3.14Å
573Y32.8Very low33.6Very low200 Ų200132.4 Ų132.478%0.78480%0.799SS**  trans-177.890.4142.3-155.3-96.2000112.1
574L36.6Very low33.8Very low174 Ų174130.1 Ų130.191%0.91180%0.795SS**  trans-141.4119.2153.2-80.3-175.8000110.1
575N30.4Very low34.9Very low110 Ų110130.8 Ų130.859%0.58879%0.788SS**  trans-78.5126.9179.5177-2.5000110A577N575-A577 PolarHBondContact O-N 3.15Å; N575-A577 VanDerWaalsContact OD1-CB 3.26Å; N575-A577 WeakPolarHBondContact OD1-CB 3.33Å; N575-A577 PolarHBondContact OD1-N 3.35Å; N575-A577 VanDerWaalsContact OD1-N 3.1Å
576P35.1Very low36.8Very low123 Ų123124.6 Ų124.680%0.79976%0.763SS**SBendtrans-76.81.4-177.531.2-35.8000115A578P576-A578 VanDerWaalsContact C-N 3.3Å; P576-A578 PolarHBondContact O-N 3.24Å
577A32.8Very low38.4Very low87 Ų87126 Ų12672%0.71976%0.761SS**  trans-81.815.8-170.200000116.6N575N575-A577 PolarHBondContact O-N 3.15Å; N575-A577 VanDerWaalsContact OD1-CB 3.26Å; N575-A577 WeakPolarHBondContact OD1-CB 3.33Å; N575-A577 PolarHBondContact OD1-N 3.35Å; N575-A577 VanDerWaalsContact OD1-N 3.1Å
578A36.8Very low40Very low95 Ų95122.8 Ų122.879%0.78574%0.743SS**  trans-132.240.1-173.600000114.6P576P576-A578 VanDerWaalsContact C-N 3.3Å; P576-A578 PolarHBondContact O-N 3.24Å
579V38.6Very low41.9Very low123 Ų123122.9 Ų122.975%0.74573%0.725SS**SBendtrans-114.5116162.6-175.50000108.1
580G36Very low44Very low62 Ų62123 Ų12364%0.63971%0.713SS**  trans-60.1142.2-177.500000112.2H582G580-H582 PolarHBondContact O-N 2.87Å
581A32.5Very low45.5Very low98 Ų98121.7 Ų121.781%0.8170%0.702SS**  trans-59.3110.7179.700000111.2K583A581-K583 PolarHBondContact O-N 3.02Å
582H35.6Very low47.7Very low179 Ų179122 Ų12283%0.82969%0.692SS**  trans-64.7101.5166.2-76-85000108.7G580G580-H582 PolarHBondContact O-N 2.87Å
583K39.1Very low49.7Very low194 Ų194124.1 Ų124.184%0.84369%0.688SS**PPolyproline II helixtrans-58.7137.5168.2-69.3-178.3176.5-179.30108.7A581 S585A581-K583 PolarHBondContact O-N 3.02Å; K583-S585 PolarHBondContact O-N 3.36Å
584T40.7Very low51.9Low136 Ų136122 Ų12283%0.83468%0.679SS**PPolyproline II helixtrans-55.8120.5171.148.20000109.5S586T584-S586 PolarHBondContact O-N 3.25Å
585S49.5Very low53.9Low86 Ų86119 Ų11960%0.60166%0.664SS**PPolyproline II helixtrans-55.3126.6-179.3-1690000110.4K583 D589K583-S585 PolarHBondContact O-N 3.36Å; S585-D589 WeakPolarHBondContact OG-CB 3.46Å
586S71.7Confident55.8Low52 Ų52119.1 Ų119.136%0.36466%0.663SS.*PPolyproline II helixtrans-79164-176.678.40000111.2T584 A588 D589 R590T584-S586 PolarHBondContact O-N 3.25Å; S586-A588 PolarHBondContact O-N 3.23Å; S586-A588 PolarHBondContact OG-N 2.97Å; S586-D589 VanDerWaalsContact CB-OD2 3.28Å; S586-D589 WeakPolarHBondContact CB-OD2 3.41Å; S586-D589 PolarHBondContact N-OD2 2.85Å; S586-D589 PolarHBondContact O-N 3.42Å; S586-D589 PolarHBondContact OG-N 3.14Å; S586-D589 PolarHBondContact OG-OD2 3.49Å; S586-R590 PolarHBondContact O-N 2.93Å
587L62.7Low57.7Low139 Ų139120.4 Ų120.473%0.72866%0.664SS**Hα-helixtrans-59.2-33.5175-172.7144.7000111.7Q591L587-Q591 WeakPolarHBondContact O-CB 3.44Å; L587-Q591 PolarHBondContact O-N 3.02Å
588A65.4Low59.5Low64 Ų64122.1 Ų122.153%0.52966%0.658SS.*Hα-helixtrans-66.5-34.5175.400000112.8S586 Q591 R592S586-A588 PolarHBondContact O-N 3.23Å; S586-A588 PolarHBondContact OG-N 2.97Å; A588-Q591 PolarHBondContact O-N 3.27Å; A588-R592 WeakPolarHBondContact O-CB 3.47Å; A588-R592 PolarHBondContact O-N 3.39Å
589D72.4Confident61.1Low77 Ų77122.7 Ų122.741%0.41265%0.647SS.*Hα-helixtrans-68.8-43.9178.1-61.1-59.8000111.2S585 S586 Q591 R592 E593S585-D589 WeakPolarHBondContact OG-CB 3.46Å; S586-D589 VanDerWaalsContact CB-OD2 3.28Å; S586-D589 WeakPolarHBondContact CB-OD2 3.41Å; S586-D589 PolarHBondContact N-OD2 2.85Å; S586-D589 PolarHBondContact O-N 3.42Å; S586-D589 PolarHBondContact OG-N 3.14Å; S586-D589 PolarHBondContact OG-OD2 3.49Å; D589-Q591 VanDerWaalsContact C-N 3.3Å; D589-Q591 PolarHBondContact O-N 3.31Å; D589-R592 WeakPolarHBondContact O-CB 3.46Å; D589-R592 PolarHBondContact O-N 3.47Å; D589-E593 WeakPolarHBondContact O-CB 3.45Å; D589-E593 PolarHBondContact O-N 2.88Å
590R77Confident61.8Low184 Ų184121.8 Ų121.869%0.69464%0.644SS**Hα-helixtrans-62.6-36.1172.5-77-169.666.21451.4112.9S586 R592 E593 Y594S586-R590 PolarHBondContact O-N 2.93Å; R590-R592 VanDerWaalsContact C-N 3.34Å; R590-E593 PolarHBondContact O-N 3.31Å; R590-Y594 WeakPolarHBondContact O-CB 3.08Å; R590-Y594 PolarHBondContact O-N 3.5Å
591Q63.6Low62.5Low117 Ų117124.9 Ų124.955%0.54765%0.653SS.*Hα-helixtrans-71.4-32.7178.5-160.4165.4-1.800111.4L587 A588 D589 L595L587-Q591 WeakPolarHBondContact O-CB 3.44Å; L587-Q591 PolarHBondContact O-N 3.02Å; A588-Q591 PolarHBondContact O-N 3.27Å; D589-Q591 VanDerWaalsContact C-N 3.3Å; D589-Q591 PolarHBondContact O-N 3.31Å; Q591-L595 VanDerWaalsContact O-CG 3.31Å; Q591-L595 WeakPolarHBondContact O-CG 3.34Å; Q591-L595 PolarHBondContact O-N 2.97Å; Q591-L595 VanDerWaalsContact O-N 3.12Å
592R80.3Confident63.2Low175 Ų175130.8 Ų130.866%0.6665%0.654SS**Hα-helixtrans-69.2-41.3170.4-168.9179.8-172.2-1792.9112.3A588 D589 R590 L595 L596A588-R592 WeakPolarHBondContact O-CB 3.47Å; A588-R592 PolarHBondContact O-N 3.39Å; D589-R592 WeakPolarHBondContact O-CB 3.46Å; D589-R592 PolarHBondContact O-N 3.47Å; R590-R592 VanDerWaalsContact C-N 3.34Å; R592-L595 PolarHBondContact O-N 3.4Å; R592-L596 HydrophobicContact CG-CD1 4.45Å; R592-L596 WeakPolarHBondContact O-CG 3.44Å; R592-L596 PolarHBondContact O-N 3.01Å
593E73.9Confident63.7Low132 Ų132127.6 Ų127.662%0.61765%0.652SS**Hα-helixtrans-61.5-46.5175.6-168.2170.5-13900111.1D589 R590 L595 L596 D597D589-E593 WeakPolarHBondContact O-CB 3.45Å; D589-E593 PolarHBondContact O-N 2.88Å; R590-E593 PolarHBondContact O-N 3.31Å; E593-L595 VanDerWaalsContact C-N 3.35Å; E593-L595 PolarHBondContact O-N 3.46Å; E593-L596 PolarHBondContact O-N 3.4Å; E593-L596 VanDerWaalsContact O-N 3.13Å; E593-D597 PolarHBondContact O-N 3.38Å
594Y78.4Confident63.9Low156 Ų156126 Ų12661%0.61265%0.65SS**Hα-helixtrans-60.2-39.5173.9-176.4-97.8000113.3R590 L596 D597 M598R590-Y594 WeakPolarHBondContact O-CB 3.08Å; R590-Y594 PolarHBondContact O-N 3.5Å; Y594-L596 VanDerWaalsContact C-N 3.31Å; Y594-L596 PolarHBondContact O-N 3.17Å; Y594-D597 PolarHBondContact O-N 3.05Å; Y594-M598 HydrophobicContact CD1-CG 4.45Å; Y594-M598 HydrophobicContact CE1-CG 4.12Å; Y594-M598 WeakPolarHBondContact O-CG 3.48Å; Y594-M598 PolarHBondContact O-N 3.07Å
595L79.6Confident63.9Low111 Ų111124.7 Ų124.758%0.58165%0.647SS**Hα-helixtrans-68.7-27.6176-76.2170.8000113.3Q591 R592 E593Q591-L595 VanDerWaalsContact O-CG 3.31Å; Q591-L595 WeakPolarHBondContact O-CG 3.34Å; Q591-L595 PolarHBondContact O-N 2.97Å; Q591-L595 VanDerWaalsContact O-N 3.12Å; R592-L595 PolarHBondContact O-N 3.4Å; E593-L595 VanDerWaalsContact C-N 3.35Å; E593-L595 PolarHBondContact O-N 3.46Å
596L70.3Confident63.3Low111 Ų111129.7 Ų129.758%0.58166%0.661SS**Hα-helixtrans-77.3-38.6175.2-70.5167.1000111.7R592 E593 Y594 M598 I599R592-L596 HydrophobicContact CG-CD1 4.45Å; R592-L596 WeakPolarHBondContact O-CG 3.44Å; R592-L596 PolarHBondContact O-N 3.01Å; E593-L596 PolarHBondContact O-N 3.4Å; E593-L596 VanDerWaalsContact O-N 3.13Å; Y594-L596 VanDerWaalsContact C-N 3.31Å; Y594-L596 PolarHBondContact O-N 3.17Å; L596-M598 PolarHBondContact O-N 3.16Å; L596-I599 HydrophobicContact CD2-CD1 4.36Å; L596-I599 PolarHBondContact O-N 3.31Å; L596-I599 VanDerWaalsContact O-N 3.16Å
597D75.6Confident61.8Low151 Ų151132.9 Ų132.981%0.80768%0.684SS**Hα-helixtrans-68.3-23.5178.1-144.538000112.4E593 Y594 I599E593-D597 PolarHBondContact O-N 3.38Å; Y594-D597 PolarHBondContact O-N 3.05Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 3.48Å
598M70.4Confident60.7Low122 Ų122134.4 Ų134.460%0.60169%0.691SS**THydrogen-bonded Turntrans-80.4-1.7173.4-73.5-63.4-55.300114.6Y594 L596 P600Y594-M598 HydrophobicContact CD1-CG 4.45Å; Y594-M598 HydrophobicContact CE1-CG 4.12Å; Y594-M598 WeakPolarHBondContact O-CG 3.48Å; Y594-M598 PolarHBondContact O-N 3.07Å; L596-M598 PolarHBondContact O-N 3.16Å; M598-P600 VanDerWaalsContact O-CD 3.26Å; M598-P600 WeakPolarHBondContact O-CD 3.45Å
599I69.3Low59.5Low107 Ų107136.7 Ų136.755%0.54970%0.703SS.*SBendtrans-91.7106.4175.1-59.7172.4000108.7L596 D597L596-I599 HydrophobicContact CD2-CD1 4.36Å; L596-I599 PolarHBondContact O-N 3.31Å; L596-I599 VanDerWaalsContact O-N 3.16Å; D597-I599 VanDerWaalsContact C-N 3.32Å; D597-I599 PolarHBondContact O-N 3.48Å
600P53.7Low58.2Low104 Ų104136.7 Ų136.768%0.67572%0.721SS**  trans-61138.9175.325.3-33.6000110M598 R602M598-P600 VanDerWaalsContact O-CD 3.26Å; M598-P600 WeakPolarHBondContact O-CD 3.45Å; P600-R602 PolarHBondContact O-N 2.92Å
601P51.5Low56.3Low128 Ų128137.3 Ų137.383%0.83173%0.732SS**  trans-63.1107.4-172.924.3-33.8000110.6S603P601-S603 PolarHBondContact O-N 3.24Å; P601-S603 VanDerWaalsContact O-N 3.1Å
602R47.1Very low55.1Low222 Ų222145.1 Ų145.184%0.83876%0.764SS**  trans-58.9114.1171.1-74.7-82.8-152.1143.58.5108.3P600 I604P600-R602 PolarHBondContact O-N 2.92Å; R602-I604 PolarHBondContact O-N 3.25Å
603S44.9Very low53.8Low112 Ų112143.6 Ų143.678%0.78377%0.769SS**  trans-61.499.9168.649.80000109.7P601 S605P601-S603 PolarHBondContact O-N 3.24Å; P601-S603 VanDerWaalsContact O-N 3.1Å; S603-S605 PolarHBondContact O-N 3.48Å; S603-S605 VanDerWaalsContact O-N 3.07Å
604I44.5Very low52.8Low159 Ų159144.2 Ų144.282%0.81578%0.777SS**  trans-72.9102.8176.6-64.4176.8000108.3R602R602-I604 PolarHBondContact O-N 3.25Å
605S40.9Very low51.3Low110 Ų110143.6 Ų143.677%0.76979%0.786SS**  trans-141.281.7167.1-70.60000108.1S603S603-S605 PolarHBondContact O-N 3.48Å; S603-S605 VanDerWaalsContact O-N 3.07Å
606Q36.9Very low49.7Very low190 Ų190145.5 Ų145.589%0.88880%0.798SS**  trans-137118.6163.8-72.5-163.9-2.600110
607S40.2Very low48.4Very low120 Ų120147.6 Ų147.684%0.83981%0.812SS**  trans-72125.5167.247.90000109.9
608I38.7Very low46.6Very low170 Ų170147.4 Ų147.487%0.87281%0.812SS**  trans-88.4110.1171.1-162.5166.9000109.5
609S41.4Very low44.9Very low113 Ų113149.2 Ų149.279%0.7983%0.827SS**  trans-89.1108.5166.160.30000108.6Q611S609-Q611 PolarHBondContact O-N 3.33Å
610G43.2Very low43Very low76 Ų76152.5 Ų152.578%0.78485%0.848SS**  trans-75.3120.1171.700000110.7
611Q38.1Very low42.1Very low198 Ų198156.5 Ų156.593%0.92586%0.863SS**  trans-74125.1157-79.6-179.3-29.100109.1S609S609-Q611 PolarHBondContact O-N 3.33Å
612K37.8Very low41.2Very low280 Ų280159.1 Ų159.1100%1.21787%0.866SS**  trans-157.50139.3-140179.4-176.8-176.60110.7

Retrieved 612 of 612 residues in 351.8 ms (Link to these results)