A0A096MHZ9_POEFO Loading...

Potassium voltage-gated channel, subfamily H (eag-related), member 1a

AlphaFold DB , UniProt , Accession A0A096MHZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low45Very low241 Ų241131.9 Ų131.9100%1.18764%0.643SS**  071.60-165.2170.5-17000108.4
2F33.2Very low45.9Very low197 Ų197126.8 Ų126.886%0.86463%0.631SS**  trans-87.2156.5177.8-93.3-96.9000110.2V4F2-V4 PolarHBondContact O-N 3.27Å
3P47.9Very low46.9Very low68 Ų68123 Ų12344%0.44262%0.624SS.*  trans-85.2104.3-148.731.7-36.6000114.1W5 L6P3-W5 PolarHBondContact O-N 3.31Å; P3-W5 VanDerWaalsContact O-N 3.11Å; P3-L6 HydrophobicContact CB-CG 4.49Å; P3-L6 HydrophobicContact CG-CB 4.25Å; P3-L6 HydrophobicContact CG-CD1 3.73Å; P3-L6 HydrophobicContact CG-CG 4.03Å; P3-L6 PolarHBondContact O-N 3.25Å; P3-L6 VanDerWaalsContact O-N 3.14Å
4V45.8Very low47.4Very low103 Ų103122.1 Ų122.162%0.62462%0.621SS**Hα-helixtrans-54.1-26.1163.7179.10000111.7F2 F7 F8F2-V4 PolarHBondContact O-N 3.27Å; V4-F7 PolarHBondContact O-N 3.43Å; V4-F8 HydrophobicContact CG1-CD2 3.98Å; V4-F8 HydrophobicContact CG1-CE2 4.13Å; V4-F8 PolarHBondContact O-N 3.41Å
5W41.3Very low48.3Very low209 Ų209123.5 Ų123.579%0.79262%0.621SS**Hα-helixtrans-60-42.7174.3-95.683.8000114.5P3 F7 F8 Q9P3-W5 PolarHBondContact O-N 3.31Å; P3-W5 VanDerWaalsContact O-N 3.11Å; W5-F7 VanDerWaalsContact C-N 3.27Å; W5-F7 PolarHBondContact O-N 3.03Å; W5-F8 PolarHBondContact O-N 3.22Å; W5-Q9 WeakPolarHBondContact O-CB 3.38Å; W5-Q9 PolarHBondContact O-N 3.05Å
6L45.8Very low49.1Very low122 Ų122119.2 Ų119.264%0.63961%0.606SS**Hα-helixtrans-64.7-35.6178-82.3177.3000111.5P3 Q9 G10P3-L6 HydrophobicContact CB-CG 4.49Å; P3-L6 HydrophobicContact CG-CB 4.25Å; P3-L6 HydrophobicContact CG-CD1 3.73Å; P3-L6 HydrophobicContact CG-CG 4.03Å; P3-L6 PolarHBondContact O-N 3.25Å; P3-L6 VanDerWaalsContact O-N 3.14Å; L6-Q9 PolarHBondContact O-N 3.49Å; L6-G10 PolarHBondContact O-N 3.27Å
7F46.4Very low49.9Very low154 Ų154116.1 Ų116.168%0.67560%0.598SS**Hα-helixtrans-67.1-43.7178.9-150.4-101.6000111.8V4 W5 I11V4-F7 PolarHBondContact O-N 3.43Å; W5-F7 VanDerWaalsContact C-N 3.27Å; W5-F7 PolarHBondContact O-N 3.03Å; F7-I11 HydrophobicContact CD1-CD1 3.59Å; F7-I11 HydrophobicContact CE1-CD1 3.75Å; F7-I11 WeakPolarHBondContact O-CD1 3.46Å; F7-I11 VanDerWaalsContact O-CG1 3.28Å; F7-I11 WeakPolarHBondContact O-CG1 3.5Å; F7-I11 PolarHBondContact O-N 3.23Å
8F44.7Very low50.6Low140 Ų140115 Ų11561%0.61459%0.593SS**Hα-helixtrans-65.9-36.4174.2-94.3-88.3000113V4 W5 I11 S12V4-F8 HydrophobicContact CG1-CD2 3.98Å; V4-F8 HydrophobicContact CG1-CE2 4.13Å; V4-F8 PolarHBondContact O-N 3.41Å; W5-F8 PolarHBondContact O-N 3.22Å; F8-I11 PolarHBondContact O-N 2.91Å; F8-S12 WeakPolarHBondContact O-CB 3.49Å; F8-S12 PolarHBondContact O-N 3.28Å
9Q47.9Very low51.7Low118 Ų118114.5 Ų114.555%0.55159%0.585SS**Hα-helixtrans-68-43.3178.9-160160.4-5.800111.2W5 L6 S12 S13W5-Q9 WeakPolarHBondContact O-CB 3.38Å; W5-Q9 PolarHBondContact O-N 3.05Å; L6-Q9 PolarHBondContact O-N 3.49Å; Q9-S12 PolarHBondContact O-N 3.3Å; Q9-S12 PolarHBondContact O-OG 3.24Å; Q9-S13 PolarHBondContact O-N 3Å
10G49.1Very low52.6Low35 Ų35113.5 Ų113.536%0.36159%0.585SS.*Hα-helixtrans-58.9-46.517100000113.3L6 S12 S13 L14L6-G10 PolarHBondContact O-N 3.27Å; G10-S12 VanDerWaalsContact C-N 3.35Å; G10-S12 PolarHBondContact O-N 3.26Å; G10-S13 WeakPolarHBondContact O-CB 3.39Å; G10-S13 PolarHBondContact O-N 3.08Å; G10-L14 WeakPolarHBondContact O-CG 3.34Å; G10-L14 PolarHBondContact O-N 3.35Å
11I55.3Low53.6Low64 Ų64111.9 Ų111.933%0.32858%0.58SS.*Hα-helixtrans-61.5-41.6175.9-68.8165.8000111.3F7 F8 S13 L14 F15F7-I11 HydrophobicContact CD1-CD1 3.59Å; F7-I11 HydrophobicContact CE1-CD1 3.75Å; F7-I11 WeakPolarHBondContact O-CD1 3.46Å; F7-I11 VanDerWaalsContact O-CG1 3.28Å; F7-I11 WeakPolarHBondContact O-CG1 3.5Å; F7-I11 PolarHBondContact O-N 3.23Å; F8-I11 PolarHBondContact O-N 2.91Å; I11-S13 VanDerWaalsContact C-N 3.31Å; I11-S13 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 3.11Å; I11-F15 HydrophobicContact CG2-CD2 3.72Å; I11-F15 HydrophobicContact CG2-CE2 3.89Å; I11-F15 WeakPolarHBondContact O-CD2 3.23Å; I11-F15 PolarHBondContact O-N 3.41Å
12S55.1Low55.5Low70 Ų70107.5 Ų107.549%0.4955%0.55SS.*Hα-helixtrans-64.7-34.4177.6770000112.9F8 Q9 G10 F15 S16F8-S12 WeakPolarHBondContact O-CB 3.49Å; F8-S12 PolarHBondContact O-N 3.28Å; Q9-S12 PolarHBondContact O-N 3.3Å; Q9-S12 PolarHBondContact O-OG 3.24Å; G10-S12 VanDerWaalsContact C-N 3.35Å; G10-S12 PolarHBondContact O-N 3.26Å; S12-F15 PolarHBondContact O-N 3.09Å; S12-S16 PolarHBondContact O-N 3.21Å
13S58.9Low57.2Low78 Ų78101.8 Ų101.855%0.54553%0.528SS..Hα-helixtrans-66-45.7172.8-170.20000111.3Q9 G10 I11 F15 S16 S17Q9-S13 PolarHBondContact O-N 3Å; G10-S13 WeakPolarHBondContact O-CB 3.39Å; G10-S13 PolarHBondContact O-N 3.08Å; I11-S13 VanDerWaalsContact C-N 3.31Å; I11-S13 PolarHBondContact O-N 2.82Å; S13-F15 PolarHBondContact O-N 3.42Å; S13-S16 CarbonylContact O-C 3.55Å; S13-S16 WeakPolarHBondContact O-CA 3.24Å; S13-S16 WeakPolarHBondContact O-CB 3.23Å; S13-S16 PolarHBondContact O-N 3.09Å; S13-S17 PolarHBondContact O-N 2.94Å
14L54.4Low58.4Low111 Ų111105 Ų10558%0.58154%0.541SS*.Hα-helixtrans-62.3-37.5175-67.4167.9000112.7G10 I11 S16 S17 L18G10-L14 WeakPolarHBondContact O-CG 3.34Å; G10-L14 PolarHBondContact O-N 3.35Å; I11-L14 PolarHBondContact O-N 3.11Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.27Å; L14-S17 WeakPolarHBondContact CA-OG 3.46Å; L14-S17 PolarHBondContact O-N 3.31Å; L14-S17 PolarHBondContact O-OG 2.98Å; L14-L18 PolarHBondContact O-N 3.03Å
15F60Low59.9Low143 Ų143107.7 Ų107.763%0.62754%0.54SS*.Hα-helixtrans-70-24.8171.2-92.2-80.9000113.4I11 S12 S13 L18I11-F15 HydrophobicContact CG2-CD2 3.72Å; I11-F15 HydrophobicContact CG2-CE2 3.89Å; I11-F15 WeakPolarHBondContact O-CD2 3.23Å; I11-F15 PolarHBondContact O-N 3.41Å; S12-F15 PolarHBondContact O-N 3.09Å; S13-F15 PolarHBondContact O-N 3.42Å; F15-L18 HydrophobicContact CD1-CD1 4.07Å; F15-L18 HydrophobicContact CE1-CD1 4.33Å; F15-L18 HydrophobicContact CG-CD1 4.41Å
16S62.1Low61.4Low54 Ų54101.9 Ų101.938%0.37852%0.524SS..Hα-helixtrans-77.3-39172.4-152.80000111.5S12 S13 L14 L18 K19S12-S16 PolarHBondContact O-N 3.21Å; S13-S16 CarbonylContact O-C 3.55Å; S13-S16 WeakPolarHBondContact O-CA 3.24Å; S13-S16 WeakPolarHBondContact O-CB 3.23Å; S13-S16 PolarHBondContact O-N 3.09Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.27Å; S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 3.38Å; S16-K19 WeakPolarHBondContact O-CB 3.44Å; S16-K19 WeakPolarHBondContact O-CD 3.43Å; S16-K19 WeakPolarHBondContact O-CG 3.4Å; S16-K19 PolarHBondContact O-N 3.06Å; S16-K19 PolarHBondContact OG-NZ 3.26Å
17S62.4Low62.6Low66 Ų6698.1 Ų98.146%0.46251%0.514SS..Hα-helixtrans-70.1-27.8174.366.10000112.8S13 L14 K19 V20S13-S17 PolarHBondContact O-N 2.94Å; L14-S17 WeakPolarHBondContact CA-OG 3.46Å; L14-S17 PolarHBondContact O-N 3.31Å; L14-S17 PolarHBondContact O-OG 2.98Å; S17-K19 PolarHBondContact O-N 3.23Å; S17-V20 VanDerWaalsContact O-CB 3.27Å; S17-V20 WeakPolarHBondContact O-CB 3.45Å; S17-V20 VanDerWaalsContact O-CG2 3.28Å; S17-V20 WeakPolarHBondContact O-CG2 3.29Å; S17-V20 PolarHBondContact O-N 3.45Å
18L61.9Low64.2Low97 Ų9798.8 Ų98.851%0.50851%0.512SS..G310 helixtrans-55.3-16.8165.4-92.9157.3000113.9L14 F15 S16 V20 V21L14-L18 PolarHBondContact O-N 3.03Å; F15-L18 HydrophobicContact CD1-CD1 4.07Å; F15-L18 HydrophobicContact CE1-CD1 4.33Å; F15-L18 HydrophobicContact CG-CD1 4.41Å; S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 3.38Å; L18-V20 PolarHBondContact O-N 2.97Å; L18-V21 HydrophobicContact CD2-CG2 4.05Å; L18-V21 WeakPolarHBondContact O-CB 3.29Å; L18-V21 WeakPolarHBondContact O-CG2 3.13Å; L18-V21 PolarHBondContact O-N 3.27Å
19K72.6Confident65.8Low105 Ų10595.1 Ų95.146%0.45750%0.502SS..G310 helixtrans-65.6-22.3170.4-61.9166.7-172.4156.30112.5S16 S17 V21 R22S16-K19 WeakPolarHBondContact O-CB 3.44Å; S16-K19 WeakPolarHBondContact O-CD 3.43Å; S16-K19 WeakPolarHBondContact O-CG 3.4Å; S16-K19 PolarHBondContact O-N 3.06Å; S16-K19 PolarHBondContact OG-NZ 3.26Å; S17-K19 PolarHBondContact O-N 3.23Å; K19-V21 PolarHBondContact O-N 3.5Å; K19-R22 WeakPolarHBondContact O-CB 3.42Å; K19-R22 WeakPolarHBondContact O-CG 3.35Å; K19-R22 PolarHBondContact O-N 2.89Å
20V68.9Low67Low94 Ų9492.2 Ų92.257%0.5750%0.498SS*.G310 helixtrans-62.3-28.3174.3179.10000111.4S17 L18 R22 L23S17-V20 VanDerWaalsContact O-CB 3.27Å; S17-V20 WeakPolarHBondContact O-CB 3.45Å; S17-V20 VanDerWaalsContact O-CG2 3.28Å; S17-V20 WeakPolarHBondContact O-CG2 3.29Å; S17-V20 PolarHBondContact O-N 3.45Å; L18-V20 PolarHBondContact O-N 2.97Å; V20-R22 PolarHBondContact O-N 3.45Å; V20-L23 HydrophobicContact CG1-CD1 4.48Å; V20-L23 WeakPolarHBondContact O-CB 3.27Å; V20-L23 WeakPolarHBondContact O-CD1 3.25Å; V20-L23 PolarHBondContact O-N 3.14Å
21V73.4Confident68.4Low81 Ų81100 Ų10049%0.49152%0.516SS..G310 helixtrans-59.2-19.6173-174.80000112.1L18 K19 L23 L24L18-V21 HydrophobicContact CD2-CG2 4.05Å; L18-V21 WeakPolarHBondContact O-CB 3.29Å; L18-V21 WeakPolarHBondContact O-CG2 3.13Å; L18-V21 PolarHBondContact O-N 3.27Å; K19-V21 PolarHBondContact O-N 3.5Å; V21-L23 PolarHBondContact O-N 3.43Å; V21-L24 HydrophobicContact CG1-CD1 3.92Å; V21-L24 WeakPolarHBondContact O-CB 3.32Å; V21-L24 PolarHBondContact O-N 3.4Å; V21-L24 VanDerWaalsContact O-N 3.12Å
22R77.7Confident69.5Low148 Ų148103.4 Ų103.456%0.55853%0.529SS*.G310 helixtrans-63.3-22.3172.2-61.2173179.3-168.6-1.2112.8K19 V20 L24 R25K19-R22 WeakPolarHBondContact O-CB 3.42Å; K19-R22 WeakPolarHBondContact O-CG 3.35Å; K19-R22 PolarHBondContact O-N 2.89Å; V20-R22 PolarHBondContact O-N 3.45Å; R22-L24 PolarHBondContact O-N 2.96Å; R22-R25 WeakPolarHBondContact O-CB 3.43Å; R22-R25 WeakPolarHBondContact O-CD 3.45Å; R22-R25 WeakPolarHBondContact O-CG 3.42Å; R22-R25 PolarHBondContact O-N 3.19Å; R22-R25 VanDerWaalsContact O-N 3.11Å
23L69.8Low70.6Confident77 Ų77102.8 Ų102.840%0.40352%0.52SS..G310 helixtrans-64.1-27.8173.8-81.668.1000111.9V20 V21 R25 L26 W57V20-L23 HydrophobicContact CG1-CD1 4.48Å; V20-L23 WeakPolarHBondContact O-CB 3.27Å; V20-L23 WeakPolarHBondContact O-CD1 3.25Å; V20-L23 PolarHBondContact O-N 3.14Å; V21-L23 PolarHBondContact O-N 3.43Å; L23-R25 PolarHBondContact O-N 2.87Å; L23-L26 WeakPolarHBondContact O-CB 3.41Å; L23-L26 PolarHBondContact O-N 3.39Å; L23-W57 HydrophobicContact CD2-CD2 4.25Å; L23-W57 HydrophobicContact CD2-CH2 3.78Å; L23-W57 HydrophobicContact CD2-CZ2 3.43Å; L23-W57 VanDerWaalsContact CD2-CZ2 3.43Å; L23-W57 HydrophobicContact CD2-CZ3 4.3Å; L23-W57 HydrophobicContact CG-CH2 4.41Å; L23-W57 HydrophobicContact CG-CZ2 3.87Å
24L72Confident71.4Confident136 Ų136104.9 Ų104.971%0.71253%0.525SS*.G310 helixtrans-61.4-15.3173.7-61.7-178.9000113.1V21 R22 L26 G27V21-L24 HydrophobicContact CG1-CD1 3.92Å; V21-L24 WeakPolarHBondContact O-CB 3.32Å; V21-L24 PolarHBondContact O-N 3.4Å; V21-L24 VanDerWaalsContact O-N 3.12Å; R22-L24 PolarHBondContact O-N 2.96Å; L24-L26 PolarHBondContact O-N 3.48Å; L24-G27 PolarHBondContact O-N 3.31Å
25R78.5Confident72.6Confident160 Ų160104.9 Ų104.960%0.60452%0.521SS*.G310 helixtrans-61.8-23.2170.3-62.8173.1178.2-165.6-2.6112.1R22 L23 G27 R28R22-R25 WeakPolarHBondContact O-CB 3.43Å; R22-R25 WeakPolarHBondContact O-CD 3.45Å; R22-R25 WeakPolarHBondContact O-CG 3.42Å; R22-R25 PolarHBondContact O-N 3.19Å; R22-R25 VanDerWaalsContact O-N 3.11Å; L23-R25 PolarHBondContact O-N 2.87Å; R25-G27 PolarHBondContact O-N 2.9Å; R25-R28 VanDerWaalsContact O-CB 3.27Å; R25-R28 WeakPolarHBondContact O-CB 3.42Å; R25-R28 WeakPolarHBondContact O-CG 3.31Å; R25-R28 PolarHBondContact O-N 2.78Å
26L72.9Confident73.4Confident87 Ų87103.1 Ų103.146%0.45551%0.511SS..G310 helixtrans-62.5-25.3172.5-163.769000112.2L23 L24 R28 V29 L53 W57L23-L26 WeakPolarHBondContact O-CB 3.41Å; L23-L26 PolarHBondContact O-N 3.39Å; L24-L26 PolarHBondContact O-N 3.48Å; L26-R28 PolarHBondContact O-N 2.89Å; L26-V29 HydrophobicContact CD1-CG2 4.03Å; L26-V29 WeakPolarHBondContact O-CA 3.34Å; L26-V29 VanDerWaalsContact O-CB 3.3Å; L26-V29 WeakPolarHBondContact O-CB 3.42Å; L26-V29 PolarHBondContact O-N 2.99Å; L26-L53 HydrophobicContact CD1-CD2 4.46Å; L26-L53 HydrophobicContact CD2-CD2 4.01Å; L26-W57 HydrophobicContact CD2-CH2 4.24Å
27G69.8Low74.1Confident42 Ų42105.2 Ų105.243%0.43352%0.517SS..Hα-helixtrans-61.5-11.9170.200000114.4L24 R25L24-G27 PolarHBondContact O-N 3.31Å; R25-G27 PolarHBondContact O-N 2.9Å
28R80.7Confident74.9Confident168 Ų168108.6 Ų108.663%0.63453%0.526SS*.Hα-helixtrans-74.9-26.9167.9-60.1-179.5179.4-171-1.4112.7R25 L26R25-R28 VanDerWaalsContact O-CB 3.27Å; R25-R28 WeakPolarHBondContact O-CB 3.42Å; R25-R28 WeakPolarHBondContact O-CG 3.31Å; R25-R28 PolarHBondContact O-N 2.78Å; L26-R28 PolarHBondContact O-N 2.89Å
29V78.9Confident75.8Confident64 Ų64110.4 Ų110.439%0.38853%0.527SS..Hα-helixtrans-72.7-40.3174.7-175.60000109.9L26 R31 K32 L33L26-V29 HydrophobicContact CD1-CG2 4.03Å; L26-V29 WeakPolarHBondContact O-CA 3.34Å; L26-V29 VanDerWaalsContact O-CB 3.3Å; L26-V29 WeakPolarHBondContact O-CB 3.42Å; L26-V29 PolarHBondContact O-N 2.99Å; V29-R31 PolarHBondContact O-N 3.45Å; V29-K32 CarbonylContact O-C 3.54Å; V29-K32 WeakPolarHBondContact O-CA 3.45Å; V29-K32 PolarHBondContact O-N 2.97Å; V29-L33 PolarHBondContact O-N 3.45Å; V29-L33 VanDerWaalsContact O-N 3.11Å
30A72.2Confident76.3Confident57 Ų57106.4 Ų106.447%0.47152%0.515SS..Hα-helixtrans-54-38.517400000112.7K32 L33A30-K32 PolarHBondContact O-N 3.14Å; A30-L33 WeakPolarHBondContact O-CB 3.45Å; A30-L33 PolarHBondContact O-N 3.15Å; A30-L33 VanDerWaalsContact O-N 3.11Å
31R79.1Confident76.9Confident198 Ų198105.5 Ų105.575%0.74752%0.518SS*.Hα-helixtrans-73-7.5175.5-67.7-168.7-65.8141.4-2.7115.4V29V29-R31 PolarHBondContact O-N 3.45Å
32K77.9Confident77.5Confident136 Ų136103 Ų10359%0.59151%0.505SS*.Hα-helixtrans-106.6-2169.8-66.3-167.6172.9-165.40112.1V29 A30 D34 H35 Y36V29-K32 CarbonylContact O-C 3.54Å; V29-K32 WeakPolarHBondContact O-CA 3.45Å; V29-K32 PolarHBondContact O-N 2.97Å; A30-K32 PolarHBondContact O-N 3.14Å; K32-D34 PolarHBondContact O-N 2.91Å; K32-H35 PolarHBondContact O-N 3.4Å; K32-Y36 HydrophobicContact CB-CD2 4.35Å; K32-Y36 HydrophobicContact CB-CE2 4.06Å; K32-Y36 WeakPolarHBondContact O-CD2 3.26Å
33L77.8Confident77.8Confident57 Ų5797.1 Ų97.130%0.29849%0.486SS..Hα-helixtrans-65.7-41.5-169.8-175.859000111.7V29 A30 H35 Y36 I37 L46V29-L33 PolarHBondContact O-N 3.45Å; V29-L33 VanDerWaalsContact O-N 3.11Å; A30-L33 WeakPolarHBondContact O-CB 3.45Å; A30-L33 PolarHBondContact O-N 3.15Å; A30-L33 VanDerWaalsContact O-N 3.11Å; L33-H35 VanDerWaalsContact C-N 3.26Å; L33-H35 PolarHBondContact O-N 2.84Å; L33-Y36 CarbonylContact O-C 3.6Å; L33-Y36 WeakPolarHBondContact O-CA 3.42Å; L33-Y36 PolarHBondContact O-N 2.72Å; L33-I37 HydrophobicContact CD1-CD1 4.34Å; L33-I37 HydrophobicContact CD1-CG1 4.19Å; L33-I37 HydrophobicContact CD2-CD1 4.23Å; L33-I37 HydrophobicContact CG-CD1 3.71Å; L33-I37 HydrophobicContact CG-CG1 4.05Å; L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 3.36Å; L33-L46 HydrophobicContact CD1-CD2 3.21Å
34D76.5Confident78.6Confident121 Ų12196.6 Ų96.665%0.64748%0.483SS*.Hα-helixtrans-53.3-42.7179.5-57.4-26.1000112.2K32 Y36 I37K32-D34 PolarHBondContact O-N 2.91Å; D34-Y36 VanDerWaalsContact C-N 3.32Å; D34-Y36 PolarHBondContact O-N 3.32Å; D34-I37 PolarHBondContact O-N 2.95Å
35H80.3Confident79.3Confident111 Ų11194.5 Ų94.551%0.51448%0.476SS..Hα-helixtrans-69.5-25.7177.7-176.552.3000113.8K32 L33 E38 Y39K32-H35 PolarHBondContact O-N 3.4Å; L33-H35 VanDerWaalsContact C-N 3.26Å; L33-H35 PolarHBondContact O-N 2.84Å; H35-E38 IonicContact ND1-OE2 3.64Å; H35-Y39 WeakPolarHBondContact O-CD2 3.38Å
36Y76.3Confident79.7Confident106 Ų10689.4 Ų89.442%0.41646%0.46SS..Hα-helixtrans-89.1-23.7175.9-68.7-63.2000113K32 L33 D34 E38 Y39 A42K32-Y36 HydrophobicContact CB-CD2 4.35Å; K32-Y36 HydrophobicContact CB-CE2 4.06Å; K32-Y36 WeakPolarHBondContact O-CD2 3.26Å; L33-Y36 CarbonylContact O-C 3.6Å; L33-Y36 WeakPolarHBondContact O-CA 3.42Å; L33-Y36 PolarHBondContact O-N 2.72Å; D34-Y36 VanDerWaalsContact C-N 3.32Å; D34-Y36 PolarHBondContact O-N 3.32Å; Y36-E38 PolarHBondContact O-N 3.32Å; Y36-Y39 PolarHBondContact O-N 2.88Å; Y36-A42 HydrophobicContact CD1-CB 4.11Å
37I77.4Confident80.3Confident99 Ų9986.6 Ų86.651%0.50845%0.446SS..Hα-helixtrans-63.7-30.7176.1-74.8170.8000111.6L33 D34 Y39L33-I37 HydrophobicContact CD1-CD1 4.34Å; L33-I37 HydrophobicContact CD1-CG1 4.19Å; L33-I37 HydrophobicContact CD2-CD1 4.23Å; L33-I37 HydrophobicContact CG-CD1 3.71Å; L33-I37 HydrophobicContact CG-CG1 4.05Å; L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 3.36Å; D34-I37 PolarHBondContact O-N 2.95Å; I37-Y39 PolarHBondContact O-N 3.23Å; I37-Y39 VanDerWaalsContact O-N 3.14Å
38E77.5Confident81.3Confident136 Ų13688.9 Ų88.964%0.63645%0.451SS*.THydrogen-bonded Turntrans-57.5-25.7174.8-66.1177.4170.600113.3H35 Y36H35-E38 IonicContact ND1-OE2 3.64Å; Y36-E38 PolarHBondContact O-N 3.32Å
39Y82.3Confident81.7Confident136 Ų13684.6 Ų84.653%0.53345%0.446SS..  trans-113.8101.6-175.4-59-84.4000111.1H35 Y36 I37 A41 A42 V43H35-Y39 WeakPolarHBondContact O-CD2 3.38Å; Y36-Y39 PolarHBondContact O-N 2.88Å; I37-Y39 PolarHBondContact O-N 3.23Å; I37-Y39 VanDerWaalsContact O-N 3.14Å; Y39-A41 PolarHBondContact O-N 3.49Å; Y39-A42 WeakPolarHBondContact O-CA 3.39Å; Y39-A42 WeakPolarHBondContact O-CB 3.23Å; Y39-A42 PolarHBondContact O-N 2.93Å; Y39-V43 PolarHBondContact O-N 2.8Å; Y39-V43 VanDerWaalsContact O-N 3.13Å
40G82.6Confident82.2Confident20 Ų2084.7 Ų84.721%0.20645%0.446CS..Hα-helixtrans-52.3-35.9-17800000114.8A42 V43 L44 I166G40-A42 PolarHBondContact O-N 3.44Å; G40-V43 PolarHBondContact O-N 2.89Å; G40-L44 PolarHBondContact O-N 2.65Å; G40-L44 VanDerWaalsContact O-N 3.08Å; G40-I166 WeakPolarHBondContact O-CD1 3.12Å
41A82.3Confident83.1Confident76 Ų7683.3 Ų83.363%0.62843%0.43SS*.Hα-helixtrans-66-34.2174.400000113.5Y39 L44 V45Y39-A41 PolarHBondContact O-N 3.49Å; A41-L44 PolarHBondContact O-N 3Å; A41-V45 WeakPolarHBondContact O-CG2 3.3Å; A41-V45 PolarHBondContact O-N 3.48Å
42A84.9Confident83.7Confident27 Ų2775.5 Ų75.522%0.22341%0.411CS..Hα-helixtrans-71.4-36.4175.100000111.5Y36 Y39 G40 L44 V45 L46Y36-A42 HydrophobicContact CD1-CB 4.11Å; Y39-A42 WeakPolarHBondContact O-CA 3.39Å; Y39-A42 WeakPolarHBondContact O-CB 3.23Å; Y39-A42 PolarHBondContact O-N 2.93Å; G40-A42 PolarHBondContact O-N 3.44Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.05Å; A42-V45 PolarHBondContact O-N 2.85Å; A42-L46 WeakPolarHBondContact O-CB 3.28Å; A42-L46 PolarHBondContact O-N 2.72Å
43V85.3Confident84.3Confident25 Ų2571.8 Ų71.815%0.15240%0.397CS..Hα-helixtrans-59.9-43.2171.9178.40000111Y39 G40 L46 L47Y39-V43 PolarHBondContact O-N 2.8Å; Y39-V43 VanDerWaalsContact O-N 3.13Å; G40-V43 PolarHBondContact O-N 2.89Å; V43-L46 PolarHBondContact O-N 3.04Å; V43-L47 HydrophobicContact CG1-CD1 3.98Å; V43-L47 HydrophobicContact CG1-CG 4.44Å; V43-L47 WeakPolarHBondContact O-CB 3.21Å; V43-L47 WeakPolarHBondContact O-CG 3.46Å; V43-L47 PolarHBondContact O-N 2.81Å
44L85.3Confident84.9Confident66 Ų6670 Ų7035%0.34639%0.391SS..Hα-helixtrans-60.1-48.9175.5179.458.1000112.2G40 A41 A42 L46 L47 V48 V163 I166G40-L44 PolarHBondContact O-N 2.65Å; G40-L44 VanDerWaalsContact O-N 3.08Å; A41-L44 PolarHBondContact O-N 3Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.05Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.23Å; L44-L47 PolarHBondContact O-N 2.95Å; L44-V48 HydrophobicContact CD1-CG2 4.48Å; L44-V48 WeakPolarHBondContact O-CG2 3.38Å; L44-V48 PolarHBondContact O-N 3.47Å; L44-V163 HydrophobicContact CD1-CG2 3.59Å; L44-I166 HydrophobicContact CB-CD1 4.18Å
45V87.2Confident85.8Confident93 Ų9364.2 Ų64.256%0.56436%0.36SS*.Hα-helixtrans-60.5-42.7177.5173.10000111.1A41 A42 L47 V48 C49A41-V45 WeakPolarHBondContact O-CG2 3.3Å; A41-V45 PolarHBondContact O-N 3.48Å; A42-V45 PolarHBondContact O-N 2.85Å; V45-L47 PolarHBondContact O-N 3.35Å; V45-V48 PolarHBondContact O-N 3.17Å; V45-C49 PolarHBondContact O-N 3.31Å; V45-C49 PolarHBondContact O-SG 2.83Å; V45-C49 VanDerWaalsContact O-SG 3.34Å
46L85.9Confident86.4Confident52 Ų5262.1 Ų62.127%0.27235%0.35SS..Hα-helixtrans-60.8-45176.6179.467.4000111.9L33 A42 V43 L44 V48 C49 V50L33-L46 HydrophobicContact CD1-CD2 3.21Å; A42-L46 WeakPolarHBondContact O-CB 3.28Å; A42-L46 PolarHBondContact O-N 2.72Å; V43-L46 PolarHBondContact O-N 3.04Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.23Å; L46-V48 PolarHBondContact O-N 3.45Å; L46-C49 WeakPolarHBondContact O-CB 3.4Å; L46-C49 PolarHBondContact O-N 3.18Å; L46-V50 HydrophobicContact CD1-CG2 4.43Å; L46-V50 HydrophobicContact CG-CG2 4.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.3Å; L46-V50 PolarHBondContact O-N 3.38Å
47L87.3Confident87.2Confident29 Ų2962 Ų6215%0.15235%0.349CS..Hα-helixtrans-62.4-40.7178.1-75.9168.8000112V43 L44 V45 V50 F51 I159 N162V43-L47 HydrophobicContact CG1-CD1 3.98Å; V43-L47 HydrophobicContact CG1-CG 4.44Å; V43-L47 WeakPolarHBondContact O-CB 3.21Å; V43-L47 WeakPolarHBondContact O-CG 3.46Å; V43-L47 PolarHBondContact O-N 2.81Å; L44-L47 PolarHBondContact O-N 2.95Å; V45-L47 PolarHBondContact O-N 3.35Å; L47-V50 PolarHBondContact O-N 3.2Å; L47-F51 WeakPolarHBondContact O-CB 3.36Å; L47-F51 PolarHBondContact O-N 2.9Å; L47-I159 HydrophobicContact CB-CG1 4.37Å; L47-N162 HydrophobicContact CD1-CB 3.43Å; L47-N162 VanDerWaalsContact CD1-CB 3.43Å
48V89.6Confident87.9Confident89 Ų8958.2 Ų58.254%0.53933%0.33SS..Hα-helixtrans-63.5-41.8173.4173.20000111.2L44 V45 L46 F51 G52L44-V48 HydrophobicContact CD1-CG2 4.48Å; L44-V48 WeakPolarHBondContact O-CG2 3.38Å; L44-V48 PolarHBondContact O-N 3.47Å; V45-V48 PolarHBondContact O-N 3.17Å; L46-V48 PolarHBondContact O-N 3.45Å; V48-F51 PolarHBondContact O-N 3.12Å; V48-G52 PolarHBondContact O-N 3.39Å
49C89.2Confident88.8Confident79 Ų7951.7 Ų51.753%0.53430%0.299SS..Hα-helixtrans-64.3-40174.6-70.20000112.8V45 L46 L53V45-C49 PolarHBondContact O-N 3.31Å; V45-C49 PolarHBondContact O-SG 2.83Å; V45-C49 VanDerWaalsContact O-SG 3.34Å; L46-C49 WeakPolarHBondContact O-CB 3.4Å; L46-C49 PolarHBondContact O-N 3.18Å; C49-L53 VanDerWaalsContact O-CB 3.3Å; C49-L53 WeakPolarHBondContact O-CB 3.36Å; C49-L53 PolarHBondContact O-N 2.78Å
50V88.6Confident89.3Confident65 Ų6547.9 Ų47.939%0.39429%0.292SS..Hα-helixtrans-65.5-41.9175.4169.10000110.9L46 L47 L53 A54L46-V50 HydrophobicContact CD1-CG2 4.43Å; L46-V50 HydrophobicContact CG-CG2 4.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.3Å; L46-V50 PolarHBondContact O-N 3.38Å; L47-V50 PolarHBondContact O-N 3.2Å; V50-L53 PolarHBondContact O-N 3.38Å; V50-A54 WeakPolarHBondContact O-CB 3.42Å; V50-A54 PolarHBondContact O-N 3.07Å
51F91.8Very high89.7Confident28 Ų2850.7 Ų50.712%0.12330%0.301CS..Hα-helixtrans-60-49.6174.8-176.6-97.6000111.8L47 V48 L53 A54 A55 M123 L126 T127 I159L47-F51 WeakPolarHBondContact O-CB 3.36Å; L47-F51 PolarHBondContact O-N 2.9Å; V48-F51 PolarHBondContact O-N 3.12Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 2.95Å; F51-A54 PolarHBondContact O-N 3.42Å; F51-A55 WeakPolarHBondContact O-CB 3.36Å; F51-A55 PolarHBondContact O-N 3.46Å; F51-M123 HydrophobicContact CE1-CE 3.99Å; F51-M123 HydrophobicContact CE1-SD 3.79Å; F51-L126 HydrophobicContact CE2-CB 3.85Å; F51-L126 HydrophobicContact CZ-CB 3.79Å; F51-T127 HydrophobicContact CE1-CG2 4.17Å; F51-T127 HydrophobicContact CZ-CG2 3.68Å; F51-I159 HydrophobicContact CB-CD1 3.84Å; F51-I159 HydrophobicContact CD2-CD1 3.52Å; F51-I159 HydrophobicContact CE2-CD1 4.4Å; F51-I159 HydrophobicContact CG-CD1 3.93Å
52G91.4Very high90.3Very high35 Ų3547 Ų4736%0.36127%0.271SS..Hα-helixtrans-62.6-36.817700000113.4V48 H56V48-G52 PolarHBondContact O-N 3.39Å; G52-H56 WeakPolarHBondContact O-CB 3.38Å; G52-H56 PolarHBondContact O-N 2.89Å
53L90.5Very high90.7Very high57 Ų5749.7 Ų49.730%0.29828%0.276SS..Hα-helixtrans-69-41.2175.7-174.663.9000112.1L26 C49 V50 F51 H56 W57L26-L53 HydrophobicContact CD1-CD2 4.46Å; L26-L53 HydrophobicContact CD2-CD2 4.01Å; C49-L53 VanDerWaalsContact O-CB 3.3Å; C49-L53 WeakPolarHBondContact O-CB 3.36Å; C49-L53 PolarHBondContact O-N 2.78Å; V50-L53 PolarHBondContact O-N 3.38Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 2.95Å; L53-H56 PolarHBondContact O-N 2.93Å; L53-W57 HydrophobicContact CD1-CZ2 4Å; L53-W57 HydrophobicContact CD2-CH2 4.09Å; L53-W57 HydrophobicContact CD2-CZ2 3.67Å; L53-W57 HydrophobicContact CG-CD2 4.34Å; L53-W57 HydrophobicContact CG-CH2 4.39Å; L53-W57 HydrophobicContact CG-CZ2 3.75Å; L53-W57 PolarHBondContact O-N 3.13Å
54A91.3Very high90.9Very high19 Ų1952.1 Ų52.116%0.15729%0.294CS..Hα-helixtrans-63.6-43.8174.600000111.3V50 F51 H56 W57 L58 L155V50-A54 WeakPolarHBondContact O-CB 3.42Å; V50-A54 PolarHBondContact O-N 3.07Å; F51-A54 PolarHBondContact O-N 3.42Å; A54-H56 VanDerWaalsContact C-N 3.34Å; A54-H56 PolarHBondContact O-N 2.81Å; A54-W57 PolarHBondContact O-N 3.3Å; A54-L58 WeakPolarHBondContact O-CB 3.36Å; A54-L58 WeakPolarHBondContact O-CG 3.3Å; A54-L58 PolarHBondContact O-N 2.75Å; A54-L155 HydrophobicContact CB-CD1 3.95Å
55A94.5Very high91.1Very high0 Ų050.6 Ų50.60%029%0.286CS..Hα-helixtrans-60.2-42173.800000112.2F51 A59 L119 T122 M123 L126F51-A55 WeakPolarHBondContact O-CB 3.36Å; F51-A55 PolarHBondContact O-N 3.46Å; A55-A59 WeakPolarHBondContact O-CB 3.42Å; A55-A59 PolarHBondContact O-N 3.03Å; A55-L119 HydrophobicContact CB-CD1 4.24Å; A55-T122 HydrophobicContact CB-CG2 4.42Å; A55-T122 WeakPolarHBondContact O-CG2 3.24Å; A55-M123 HydrophobicContact CB-CG 4.16Å; A55-M123 HydrophobicContact CB-SD 3.51Å; A55-M123 VanDerWaalsContact CB-SD 3.51Å; A55-L126 HydrophobicContact CB-CD1 3.66Å
56H93.6Very high91.2Very high68 Ų6846.2 Ų46.232%0.31526%0.259SS..Hα-helixtrans-62.1-46.9174.4172.865.8000112.5G52 L53 A54 A59 C60 Y115G52-H56 WeakPolarHBondContact O-CB 3.38Å; G52-H56 PolarHBondContact O-N 2.89Å; L53-H56 PolarHBondContact O-N 2.93Å; A54-H56 VanDerWaalsContact C-N 3.34Å; A54-H56 PolarHBondContact O-N 2.81Å; H56-A59 PolarHBondContact O-N 3.04Å; H56-C60 PolarHBondContact O-N 2.87Å; H56-C60 PolarHBondContact O-SG 2.82Å; H56-C60 VanDerWaalsContact O-SG 3.37Å; H56-Y115 AromaticContact CE1-CE2 3.97Å; H56-Y115 AromaticContact ND1-CE2 3.63Å; H56-Y115 AromaticContact ND1-CZ 3.68Å; H56-Y115 PolarHBondContact ND1-OH 3.24Å
57W92.4Very high91.2Very high103 Ų10347.7 Ų47.739%0.3927%0.268SS..Hα-helixtrans-64.8-45.5179.1-67.1-8.2000112.6L23 L26 L53 A54 A59 C60 I61L23-W57 HydrophobicContact CD2-CD2 4.25Å; L23-W57 HydrophobicContact CD2-CH2 3.78Å; L23-W57 HydrophobicContact CD2-CZ2 3.43Å; L23-W57 VanDerWaalsContact CD2-CZ2 3.43Å; L23-W57 HydrophobicContact CD2-CZ3 4.3Å; L23-W57 HydrophobicContact CG-CH2 4.41Å; L23-W57 HydrophobicContact CG-CZ2 3.87Å; L26-W57 HydrophobicContact CD2-CH2 4.24Å; L53-W57 HydrophobicContact CD1-CZ2 4Å; L53-W57 HydrophobicContact CD2-CH2 4.09Å; L53-W57 HydrophobicContact CD2-CZ2 3.67Å; L53-W57 HydrophobicContact CG-CD2 4.34Å; L53-W57 HydrophobicContact CG-CH2 4.39Å; L53-W57 HydrophobicContact CG-CZ2 3.75Å; L53-W57 PolarHBondContact O-N 3.13Å; A54-W57 PolarHBondContact O-N 3.3Å; W57-A59 VanDerWaalsContact C-N 3.3Å; W57-A59 PolarHBondContact O-N 3.09Å; W57-C60 PolarHBondContact O-N 3.06Å; W57-I61 WeakPolarHBondContact O-CG1 3.31Å; W57-I61 PolarHBondContact O-N 3.4Å
58L93.4Very high91.1Very high19 Ų1954.9 Ų54.910%0.09929%0.294CS..Hα-helixtrans-65.7-33.2178-72.3164.3000111.6A54 I61 W62 T122 L126 F144 M148A54-L58 WeakPolarHBondContact O-CB 3.36Å; A54-L58 WeakPolarHBondContact O-CG 3.3Å; A54-L58 PolarHBondContact O-N 2.75Å; L58-I61 PolarHBondContact O-N 2.88Å; L58-W62 WeakPolarHBondContact O-CB 3.35Å; L58-W62 PolarHBondContact O-N 3.35Å; L58-T122 HydrophobicContact CB-CG2 3.43Å; L58-T122 VanDerWaalsContact CB-CG2 3.43Å; L58-L126 HydrophobicContact CD1-CD1 4.12Å; L58-L126 HydrophobicContact CD1-CD2 3.9Å; L58-L126 HydrophobicContact CD1-CG 4.42Å; L58-F144 HydrophobicContact CB-CZ 4.49Å; L58-F144 HydrophobicContact CD2-CE2 4Å; L58-F144 HydrophobicContact CD2-CZ 3.99Å; L58-F144 WeakPolarHBondContact O-CZ 3.5Å; L58-M148 HydrophobicContact CD1-CG 4.14Å; L58-M148 HydrophobicContact CD2-CG 4.49Å
59A94.4Very high90.8Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-67.5-37.6172.200000113.2A55 H56 W57 W62 Y63 L119 T122A55-A59 WeakPolarHBondContact O-CB 3.42Å; A55-A59 PolarHBondContact O-N 3.03Å; H56-A59 PolarHBondContact O-N 3.04Å; W57-A59 VanDerWaalsContact C-N 3.3Å; W57-A59 PolarHBondContact O-N 3.09Å; A59-W62 PolarHBondContact O-N 2.75Å; A59-Y63 PolarHBondContact O-N 3.24Å; A59-L119 HydrophobicContact CB-CB 4.18Å; A59-L119 HydrophobicContact CB-CD1 4.07Å; A59-T122 VanDerWaalsContact CA-OG1 3.28Å; A59-T122 WeakPolarHBondContact CA-OG1 3.34Å; A59-T122 PolarHBondContact N-OG1 2.85Å
60C93.3Very high90.5Very high55 Ų5548 Ų4837%0.37225%0.248SC..Hα-helixtrans-66.6-37.3172.6-69.70000112.1H56 W57 S64H56-C60 PolarHBondContact O-N 2.87Å; H56-C60 PolarHBondContact O-SG 2.82Å; H56-C60 VanDerWaalsContact O-SG 3.37Å; W57-C60 PolarHBondContact O-N 3.06Å; C60-S64 WeakPolarHBondContact O-CB 3.46Å; C60-S64 PolarHBondContact O-N 3.47Å
61I91.8Very high90.2Very high79 Ų7947.3 Ų47.341%0.40524%0.242SC..Hα-helixtrans-67.9-43.9174.3-63.5162.9000110.4W57 L58 Y63 S64 I65 F144W57-I61 WeakPolarHBondContact O-CG1 3.31Å; W57-I61 PolarHBondContact O-N 3.4Å; L58-I61 PolarHBondContact O-N 2.88Å; I61-Y63 VanDerWaalsContact C-N 3.33Å; I61-Y63 PolarHBondContact O-N 2.92Å; I61-S64 WeakPolarHBondContact O-CB 3.41Å; I61-S64 PolarHBondContact O-N 3.2Å; I61-S64 VanDerWaalsContact O-N 3.08Å; I61-I65 HydrophobicContact CG2-CD1 3.95Å; I61-I65 HydrophobicContact CG2-CG1 4.46Å; I61-I65 WeakPolarHBondContact O-CG1 3.31Å; I61-I65 PolarHBondContact O-N 3.19Å; I61-F144 HydrophobicContact CB-CE2 3.99Å; I61-F144 HydrophobicContact CB-CZ 4.03Å; I61-F144 HydrophobicContact CG2-CD2 3.96Å; I61-F144 HydrophobicContact CG2-CE2 3.37Å; I61-F144 HydrophobicContact CG2-CZ 3.82Å
62W94.3Very high89.5Confident0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-57.6-44.1175-178.3-114000112.7L58 A59 I65 G66 W83 F121 I134 P136 E141 F144L58-W62 WeakPolarHBondContact O-CB 3.35Å; L58-W62 PolarHBondContact O-N 3.35Å; A59-W62 PolarHBondContact O-N 2.75Å; W62-I65 PolarHBondContact O-N 3.36Å; W62-G66 PolarHBondContact O-N 2.82Å; W62-W83 AromaticContact CD1-CE2 3.69Å; W62-W83 AromaticContact CD1-CZ2 3.6Å; W62-W83 AromaticContact CD2-NE1 3.94Å; W62-W83 AromaticContact CE2-CD1 3.58Å; W62-W83 AromaticContact CE2-CD2 3.7Å; W62-W83 AromaticContact CE2-CE2 3.66Å; W62-W83 AromaticContact CE2-CG 3.71Å; W62-W83 AromaticContact CE2-NE1 3.51Å; W62-W83 HydrophobicContact CG-CZ2 4.45Å; W62-W83 HydrophobicContact CH2-CB 4.4Å; W62-W83 AromaticContact CH2-CD1 3.81Å; W62-W83 HydrophobicContact CH2-CG 4.13Å; W62-W83 HydrophobicContact CZ2-CB 3.75Å; W62-W83 AromaticContact CZ2-CD1 3.33Å; W62-W83 AromaticContact CZ2-CD2 3.82Å; W62-W83 HydrophobicContact CZ2-CD2 3.82Å; W62-W83 AromaticContact CZ2-CG 3.33Å; W62-W83 HydrophobicContact CZ2-CG 3.33Å; W62-W83 AromaticContact CZ2-NE1 3.79Å; W62-W83 AromaticContact NE1-CD1 3.95Å; W62-W83 AromaticContact NE1-CD2 3.31Å; W62-W83 VanDerWaalsContact NE1-CD2 3.31Å; W62-W83 AromaticContact NE1-CE2 3.2Å; W62-W83 AromaticContact NE1-CE3 3.67Å; W62-W83 AromaticContact NE1-CG 3.85Å; W62-W83 AromaticContact NE1-CH2 3.89Å; W62-W83 AromaticContact NE1-CZ2 3.54Å; W62-W83 AromaticContact NE1-CZ3 3.92Å; W62-W83 AromaticContact NE1-NE1 3.56Å; W62-W83 PolarHBondContact O-NE1 3.06Å; W62-F121 AromaticContact CD1-CD1 3.72Å; W62-F121 AromaticContact CD2-CD1 3.62Å; W62-F121 HydrophobicContact CD2-CD1 3.62Å; W62-F121 AromaticContact CD2-CE1 3.51Å; W62-F121 HydrophobicContact CD2-CE1 3.51Å; W62-F121 AromaticContact CE2-CD1 3.36Å; W62-F121 AromaticContact CE2-CE1 3.42Å; W62-F121 VanDerWaalsContact CE2-CE1 3.42Å; W62-F121 HydrophobicContact CE3-CD1 4.34Å; W62-F121 AromaticContact CE3-CE1 3.77Å; W62-F121 HydrophobicContact CE3-CE1 3.77Å; W62-F121 AromaticContact CG-CD1 3.8Å; W62-F121 HydrophobicContact CG-CD1 3.8Å; W62-F121 HydrophobicContact CG-CE1 4.12Å; W62-F121 AromaticContact CH2-CE1 3.79Å; W62-F121 HydrophobicContact CH2-CE1 3.79Å; W62-F121 AromaticContact CH2-CZ 3.88Å; W62-F121 HydrophobicContact CH2-CZ 3.88Å; W62-F121 AromaticContact CZ2-CD1 3.86Å; W62-F121 HydrophobicContact CZ2-CD1 3.86Å; W62-F121 AromaticContact CZ2-CE1 3.57Å; W62-F121 HydrophobicContact CZ2-CE1 3.57Å; W62-F121 HydrophobicContact CZ2-CE2 4.35Å; W62-F121 HydrophobicContact CZ2-CG 4.37Å; W62-F121 AromaticContact CZ2-CZ 3.83Å; W62-F121 HydrophobicContact CZ2-CZ 3.83Å; W62-F121 AromaticContact CZ3-CE1 3.89Å; W62-F121 HydrophobicContact CZ3-CE1 3.89Å; W62-F121 HydrophobicContact CZ3-CZ 4.27Å; W62-F121 AromaticContact NE1-CD1 3.44Å; W62-F121 AromaticContact NE1-CG 3.91Å; W62-I134 HydrophobicContact CZ2-CG2 4.27Å; W62-P136 HydrophobicContact CH2-CB 4.05Å; W62-E141 HydrophobicContact CH2-CB 3.8Å; W62-E141 HydrophobicContact CH2-CG 3.8Å; W62-E141 HydrophobicContact CZ3-CB 3.76Å; W62-E141 HydrophobicContact CZ3-CG 3.84Å; W62-F144 HydrophobicContact CB-CE1 3.85Å; W62-F144 HydrophobicContact CB-CZ 4.41Å; W62-F144 HydrophobicContact CD2-CD1 4.5Å; W62-F144 HydrophobicContact CD2-CE1 4.3Å; W62-F144 AromaticContact CE3-CD1 3.45Å; W62-F144 HydrophobicContact CE3-CD1 3.45Å; W62-F144 VanDerWaalsContact CE3-CD1 3.45Å; W62-F144 AromaticContact CE3-CE1 3.64Å; W62-F144 HydrophobicContact CE3-CE1 3.64Å; W62-F144 HydrophobicContact CG-CE1 4.44Å; W62-F144 AromaticContact CZ3-CD1 3.96Å; W62-F144 HydrophobicContact CZ3-CD1 3.96Å
63Y92.9Very high88.4Confident83 Ų8354 Ų5433%0.32527%0.265SS..Hα-helixtrans-61-47171.5172.7-123.7000111.9A59 I61 I65 G66 D67 L84 V114A59-Y63 PolarHBondContact O-N 3.24Å; I61-Y63 VanDerWaalsContact C-N 3.33Å; I61-Y63 PolarHBondContact O-N 2.92Å; Y63-I65 PolarHBondContact O-N 3.32Å; Y63-G66 PolarHBondContact O-N 3.18Å; Y63-G66 VanDerWaalsContact O-N 3.14Å; Y63-D67 HydrophobicContact CD2-CB 4.44Å; Y63-D67 HydrophobicContact CE2-CB 3.87Å; Y63-D67 WeakPolarHBondContact CE2-OD1 3.49Å; Y63-D67 VanDerWaalsContact CZ-OD1 3.31Å; Y63-D67 WeakPolarHBondContact O-CB 3.37Å; Y63-D67 PolarHBondContact O-N 3.41Å; Y63-D67 VanDerWaalsContact OH-CG 3.28Å; Y63-D67 PolarHBondContact OH-OD1 2.71Å; Y63-L84 HydrophobicContact CE2-CD2 4.3Å; Y63-V114 HydrophobicContact CD2-CG1 3.41Å; Y63-V114 VanDerWaalsContact CD2-CG1 3.41Å; Y63-V114 HydrophobicContact CE2-CG1 3.78Å; Y63-V114 HydrophobicContact CG-CG1 4.19Å
64S90.1Very high87.3Confident76 Ų7660.4 Ų60.453%0.53129%0.293SS..Hα-helixtrans-61.5-30179-1680000113.8C60 I61 Y68C60-S64 WeakPolarHBondContact O-CB 3.46Å; C60-S64 PolarHBondContact O-N 3.47Å; I61-S64 WeakPolarHBondContact O-CB 3.41Å; I61-S64 PolarHBondContact O-N 3.2Å; I61-S64 VanDerWaalsContact O-N 3.08Å; S64-Y68 WeakPolarHBondContact O-CB 3.39Å; S64-Y68 PolarHBondContact O-N 3.32Å
65I89.7Confident86.2Confident34 Ų3463.6 Ų63.617%0.17431%0.311CS..Hα-helixtrans-72.8-46.4173.8-67.4165.1000109.9I61 W62 Y63 D67 Y68 E69 E141 F144I61-I65 HydrophobicContact CG2-CD1 3.95Å; I61-I65 HydrophobicContact CG2-CG1 4.46Å; I61-I65 WeakPolarHBondContact O-CG1 3.31Å; I61-I65 PolarHBondContact O-N 3.19Å; W62-I65 PolarHBondContact O-N 3.36Å; Y63-I65 PolarHBondContact O-N 3.32Å; I65-D67 PolarHBondContact O-N 2.68Å; I65-Y68 PolarHBondContact O-N 2.74Å; I65-E69 PolarHBondContact O-N 3.33Å; I65-E141 HydrophobicContact CG2-CG 4.15Å; I65-F144 HydrophobicContact CD1-CB 3.6Å; I65-F144 HydrophobicContact CD1-CD1 3.83Å; I65-F144 HydrophobicContact CD1-CD2 3.67Å; I65-F144 HydrophobicContact CD1-CE1 4.39Å; I65-F144 HydrophobicContact CD1-CE2 4.29Å; I65-F144 HydrophobicContact CD1-CG 3.39Å
66G88.6Confident85.2Confident0 Ų068.2 Ų68.20%034%0.336CS..Hα-helixtrans-61.4-41.3176.400000113.4W62 Y63 Y68 E69 V70W62-G66 PolarHBondContact O-N 2.82Å; Y63-G66 PolarHBondContact O-N 3.18Å; Y63-G66 VanDerWaalsContact O-N 3.14Å; G66-Y68 VanDerWaalsContact C-N 3.31Å; G66-Y68 PolarHBondContact O-N 2.83Å; G66-E69 PolarHBondContact O-N 3.22Å; G66-V70 WeakPolarHBondContact O-CB 3.45Å; G66-V70 VanDerWaalsContact O-CG1 3.26Å; G66-V70 WeakPolarHBondContact O-CG1 3.37Å; G66-V70 PolarHBondContact O-N 3.2Å
67D86.6Confident84.4Confident84 Ų8469.1 Ų69.145%0.44935%0.346SS..Hα-helixtrans-66.5-32.9178.1-152.871.6000111.8Y63 I65Y63-D67 HydrophobicContact CD2-CB 4.44Å; Y63-D67 HydrophobicContact CE2-CB 3.87Å; Y63-D67 WeakPolarHBondContact CE2-OD1 3.49Å; Y63-D67 VanDerWaalsContact CZ-OD1 3.31Å; Y63-D67 WeakPolarHBondContact O-CB 3.37Å; Y63-D67 PolarHBondContact O-N 3.41Å; Y63-D67 VanDerWaalsContact OH-CG 3.28Å; Y63-D67 PolarHBondContact OH-OD1 2.71Å; I65-D67 PolarHBondContact O-N 2.68Å
68Y84.7Confident83.7Confident180 Ų18064.4 Ų64.471%0.70633%0.329SS*.Hα-helixtrans-78-34.6175.9-178.7-96.9000113.5S64 I65 G66S64-Y68 WeakPolarHBondContact O-CB 3.39Å; S64-Y68 PolarHBondContact O-N 3.32Å; I65-Y68 PolarHBondContact O-N 2.74Å; G66-Y68 VanDerWaalsContact C-N 3.31Å; G66-Y68 PolarHBondContact O-N 2.83Å
69E84.5Confident83Confident21 Ų2168.3 Ų68.310%0.09834%0.342CS..Hα-helixtrans-92.6-20-177.4-67.8-166.1178.900114.5I65 G66 R79 T138 G140I65-E69 PolarHBondContact O-N 3.33Å; G66-E69 PolarHBondContact O-N 3.22Å; E69-R79 WeakPolarHBondContact O-CB 3.43Å; E69-R79 VanDerWaalsContact O-CD 3.32Å; E69-R79 WeakPolarHBondContact O-CD 3.17Å; E69-R79 WeakPolarHBondContact O-CG 3.42Å; E69-T138 WeakPolarHBondContact OE2-CB 3.32Å; E69-T138 VanDerWaalsContact OE2-CG2 3.27Å; E69-T138 WeakPolarHBondContact OE2-CG2 3.39Å; E69-T138 PolarHBondContact OE2-OG1 2.76Å; E69-G140 WeakPolarHBondContact OE1-CA 3.25Å
70V82.9Confident82.3Confident2 Ų272.9 Ų72.91%0.01237%0.365CS..Hα-helixtrans-67.7-37.7-177.467.50000112.7G66 V78 R79 L84 Y95G66-V70 WeakPolarHBondContact O-CB 3.45Å; G66-V70 VanDerWaalsContact O-CG1 3.26Å; G66-V70 WeakPolarHBondContact O-CG1 3.37Å; G66-V70 PolarHBondContact O-N 3.2Å; V70-V78 HydrophobicContact CG2-CG1 4.22Å; V70-V78 CarbonylContact O-C 3.5Å; V70-V78 WeakPolarHBondContact O-CA 3.43Å; V70-V78 WeakPolarHBondContact O-CG1 3.28Å; V70-R79 PolarHBondContact O-N 2.81Å; V70-L84 HydrophobicContact CB-CD2 4.33Å; V70-L84 HydrophobicContact CG1-CD2 4.02Å; V70-Y95 HydrophobicContact CG2-CD2 4.22Å; V70-Y95 HydrophobicContact CG2-CE2 3.81Å
71I81.8Confident81.8Confident50 Ų5075.8 Ų75.826%0.25638%0.376SS..BIsolated β-bridgetrans-122.2113.5176.4-66.2159.8000107.8E73 V78 W105I71-E73 PolarHBondContact O-N 3.25Å; I71-V78 HydrophobicContact CG1-CG2 3.84Å; I71-W105 HydrophobicContact CD1-CB 4.09Å; I71-W105 HydrophobicContact CD1-CG 4.13Å; I71-W105 HydrophobicContact CG1-CG 4.47Å
72D76.2Confident81.7Confident33 Ų3372 Ų7218%0.17636%0.357CS..  trans-77.8107.7177.1-169.8-62.4000109.5E74 T75 N76 V77 R79D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 2.91Å; D72-E74 PolarHBondContact OD1-N 2.94Å; D72-T75 WeakPolarHBondContact CB-OG1 3.48Å; D72-T75 VanDerWaalsContact CG-OG1 3.3Å; D72-T75 PolarHBondContact O-N 3.42Å; D72-T75 PolarHBondContact OD1-N 2.99Å; D72-T75 PolarHBondContact OD1-OG1 2.88Å; D72-T75 VanDerWaalsContact OD1-OG1 3.05Å; D72-N76 VanDerWaalsContact O-CA 3.27Å; D72-N76 WeakPolarHBondContact O-CA 3.49Å; D72-N76 PolarHBondContact O-N 3.49Å; D72-V77 WeakPolarHBondContact CB-O 3.35Å; D72-V77 PolarHBondContact N-O 3.45Å; D72-R79 IonicContact OD2-CZ 2.71Å; D72-R79 IonicContact OD2-NE 2.74Å; D72-R79 IonicContact OD2-NH2 3.94Å; D72-R79 PolarHBondContact OD2-NH2 3.37Å
73E68.4Low81.5Confident171 Ų17172.3 Ų72.380%0.79936%0.358SS*.THydrogen-bonded Turntrans-61.3-30.4-173-70.3-165148.900113.5I71 N76I71-E73 PolarHBondContact O-N 3.25Å; E73-N76 PolarHBondContact O-ND2 3.28Å
74E67.8Low81.4Confident191 Ų19168.4 Ų68.489%0.89334%0.343SS*.THydrogen-bonded Turntrans-75.8-36-177.8-64.3-167.8166.800112.2D72D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 2.91Å; D72-E74 PolarHBondContact OD1-N 2.94Å
75T69Low81.3Confident87 Ų8766.2 Ų66.253%0.53432%0.323SS..THydrogen-bonded Turntrans-104.2-13.4-176.958.30000114D72 V77D72-T75 WeakPolarHBondContact CB-OG1 3.48Å; D72-T75 VanDerWaalsContact CG-OG1 3.3Å; D72-T75 PolarHBondContact O-N 3.42Å; D72-T75 PolarHBondContact OD1-N 2.99Å; D72-T75 PolarHBondContact OD1-OG1 2.88Å; D72-T75 VanDerWaalsContact OD1-OG1 3.05Å; T75-V77 PolarHBondContact O-N 3.44Å
76N72.4Confident81.2Confident96 Ų9667.9 Ų67.951%0.51333%0.332SS..  trans54.822.9-169.8-82.5-93.7000114.3D72 E73 W105D72-N76 VanDerWaalsContact O-CA 3.27Å; D72-N76 WeakPolarHBondContact O-CA 3.49Å; D72-N76 PolarHBondContact O-N 3.49Å; E73-N76 PolarHBondContact O-ND2 3.28Å; N76-W105 WeakPolarHBondContact O-CZ2 3.48Å; N76-W105 PolarHBondContact O-NE1 2.65Å
77V76.3Confident81.3Confident87 Ų8768.6 Ų68.653%0.52734%0.335SS..  trans-95.7137.3176.8-178.50000109.8D72 T75D72-V77 WeakPolarHBondContact CB-O 3.35Å; D72-V77 PolarHBondContact N-O 3.45Å; T75-V77 PolarHBondContact O-N 3.44Å
78V78.8Confident81.4Confident5 Ų564.6 Ų64.63%0.0331%0.314CS..BIsolated β-bridgetrans-80.2130.9171.2171.20000109.7V70 I71 M80 Y85 W105V70-V78 HydrophobicContact CG2-CG1 4.22Å; V70-V78 CarbonylContact O-C 3.5Å; V70-V78 WeakPolarHBondContact O-CA 3.43Å; V70-V78 WeakPolarHBondContact O-CG1 3.28Å; I71-V78 HydrophobicContact CG1-CG2 3.84Å; V78-M80 HydrophobicContact CB-CE 3.75Å; V78-M80 HydrophobicContact CG1-CE 3.53Å; V78-M80 WeakPolarHBondContact O-CE 3.2Å; V78-M80 PolarHBondContact O-N 3.33Å; V78-Y85 HydrophobicContact CG1-CD2 3.51Å; V78-Y85 HydrophobicContact CG1-CE2 4.02Å; V78-Y85 HydrophobicContact CG1-CG 4.44Å; V78-W105 HydrophobicContact CB-CH2 4.04Å; V78-W105 HydrophobicContact CB-CZ2 4.35Å; V78-W105 HydrophobicContact CB-CZ3 4.28Å; V78-W105 HydrophobicContact CG2-CD2 3.72Å; V78-W105 HydrophobicContact CG2-CE3 3.61Å; V78-W105 HydrophobicContact CG2-CH2 3.46Å; V78-W105 VanDerWaalsContact CG2-CH2 3.46Å; V78-W105 HydrophobicContact CG2-CZ2 3.58Å; V78-W105 HydrophobicContact CG2-CZ3 3.47Å; V78-W105 VanDerWaalsContact CG2-CZ3 3.47Å
79R78.6Confident81.5Confident101 Ų10161.6 Ų61.638%0.38131%0.307SS..  trans-80.6109.6174-63.3-170.5-171.1158.93.5109.7E69 V70 D72 D81 S82E69-R79 WeakPolarHBondContact O-CB 3.43Å; E69-R79 VanDerWaalsContact O-CD 3.32Å; E69-R79 WeakPolarHBondContact O-CD 3.17Å; E69-R79 WeakPolarHBondContact O-CG 3.42Å; V70-R79 PolarHBondContact O-N 2.81Å; D72-R79 IonicContact OD2-CZ 2.71Å; D72-R79 IonicContact OD2-NE 2.74Å; D72-R79 IonicContact OD2-NH2 3.94Å; D72-R79 PolarHBondContact OD2-NH2 3.37Å; R79-D81 PolarHBondContact O-N 2.82Å; R79-S82 PolarHBondContact O-N 2.87Å
80M79.8Confident81.6Confident96 Ų9665.9 Ų65.947%0.47333%0.334SS..THydrogen-bonded Turntrans-61.1-26179.8-55.3-67.798.600112.6V78 Y85V78-M80 HydrophobicContact CB-CE 3.75Å; V78-M80 HydrophobicContact CG1-CE 3.53Å; V78-M80 WeakPolarHBondContact O-CE 3.2Å; V78-M80 PolarHBondContact O-N 3.33Å; M80-Y85 HydrophobicContact CB-CD1 4.43Å; M80-Y85 HydrophobicContact CB-CE1 4.3Å; M80-Y85 HydrophobicContact CE-CD2 4.06Å; M80-Y85 HydrophobicContact CE-CE2 3.58Å; M80-Y85 WeakPolarHBondContact O-CD1 3.48Å; M80-Y85 HydrophobicContact SD-CE1 3.98Å; M80-Y85 HydrophobicContact SD-CE2 3.82Å; M80-Y85 PolarHBondContact SD-OH 2.92Å
81D82.9Confident81.7Confident116 Ų11670.4 Ų70.462%0.6236%0.357SS*.THydrogen-bonded Turntrans-79.7-23.2-173.9-60-37.8000113.5R79 I86 T137R79-D81 PolarHBondContact O-N 2.82Å; D81-I86 VanDerWaalsContact O-CD1 3.25Å; D81-I86 WeakPolarHBondContact O-CD1 3.11Å; D81-T137 VanDerWaalsContact O-CB 3.31Å; D81-T137 WeakPolarHBondContact O-CB 3.26Å; D81-T137 PolarHBondContact O-OG1 3.03Å
82S89.3Confident81.8Confident0 Ų070.9 Ų70.90%037%0.374CS..SBendtrans-64.8145-171.4179.20000113R79 L84 Y85 I86 E141R79-S82 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact O-N 2.99Å; S82-Y85 WeakPolarHBondContact O-CB 3.35Å; S82-Y85 PolarHBondContact O-N 2.83Å; S82-I86 PolarHBondContact O-N 2.87Å; S82-I86 VanDerWaalsContact O-N 3.08Å; S82-E141 WeakPolarHBondContact CA-OE1 3.44Å; S82-E141 WeakPolarHBondContact CB-OE1 3.47Å; S82-E141 PolarHBondContact OG-OE1 3.06Å
83W90.6Very high82.3Confident5 Ų575.3 Ų75.32%0.01939%0.388CS..Hα-helixtrans-52.4-33.8-179.584.4-93000113.3W62 L87 V114 T117 S118 I134 E141W62-W83 AromaticContact CD1-CE2 3.69Å; W62-W83 AromaticContact CD1-CZ2 3.6Å; W62-W83 AromaticContact CD2-NE1 3.94Å; W62-W83 AromaticContact CE2-CD1 3.58Å; W62-W83 AromaticContact CE2-CD2 3.7Å; W62-W83 AromaticContact CE2-CE2 3.66Å; W62-W83 AromaticContact CE2-CG 3.71Å; W62-W83 AromaticContact CE2-NE1 3.51Å; W62-W83 HydrophobicContact CG-CZ2 4.45Å; W62-W83 HydrophobicContact CH2-CB 4.4Å; W62-W83 AromaticContact CH2-CD1 3.81Å; W62-W83 HydrophobicContact CH2-CG 4.13Å; W62-W83 HydrophobicContact CZ2-CB 3.75Å; W62-W83 AromaticContact CZ2-CD1 3.33Å; W62-W83 AromaticContact CZ2-CD2 3.82Å; W62-W83 HydrophobicContact CZ2-CD2 3.82Å; W62-W83 AromaticContact CZ2-CG 3.33Å; W62-W83 HydrophobicContact CZ2-CG 3.33Å; W62-W83 AromaticContact CZ2-NE1 3.79Å; W62-W83 AromaticContact NE1-CD1 3.95Å; W62-W83 AromaticContact NE1-CD2 3.31Å; W62-W83 VanDerWaalsContact NE1-CD2 3.31Å; W62-W83 AromaticContact NE1-CE2 3.2Å; W62-W83 AromaticContact NE1-CE3 3.67Å; W62-W83 AromaticContact NE1-CG 3.85Å; W62-W83 AromaticContact NE1-CH2 3.89Å; W62-W83 AromaticContact NE1-CZ2 3.54Å; W62-W83 AromaticContact NE1-CZ3 3.92Å; W62-W83 AromaticContact NE1-NE1 3.56Å; W62-W83 PolarHBondContact O-NE1 3.06Å; W83-L87 HydrophobicContact CZ3-CD2 3.81Å; W83-L87 WeakPolarHBondContact O-CB 3.41Å; W83-L87 PolarHBondContact O-N 2.96Å; W83-V114 HydrophobicContact CH2-CG1 4.06Å; W83-T117 HydrophobicContact CZ3-CG2 4.11Å; W83-S118 WeakPolarHBondContact CH2-OG 3.34Å; W83-I134 HydrophobicContact CB-CG2 4.21Å; W83-I134 HydrophobicContact CD2-CG2 4.37Å; W83-I134 HydrophobicContact CE3-CG2 3.82Å; W83-E141 VanDerWaalsContact CD1-OE1 3.29Å; W83-E141 PolarHBondContact N-OE1 3.25Å
84L90.3Very high83.1Confident1 Ų169 Ų691%0.00536%0.361CS..Hα-helixtrans-75-31.7-178.7-174.959.1000112.2Y63 V70 S82 A88 P109 V114Y63-L84 HydrophobicContact CE2-CD2 4.3Å; V70-L84 HydrophobicContact CB-CD2 4.33Å; V70-L84 HydrophobicContact CG1-CD2 4.02Å; S82-L84 PolarHBondContact O-N 2.99Å; L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 2.82Å; L84-A88 VanDerWaalsContact O-N 3.13Å; L84-P109 HydrophobicContact CD1-CG 4.09Å; L84-V114 HydrophobicContact CD1-CG1 3.9Å; L84-V114 HydrophobicContact CD1-CG2 4Å
85Y88.7Confident83.9Confident30 Ų3061.8 Ų61.812%0.11833%0.327CS..Hα-helixtrans-69.8-47.9171.1179.6-86.9000110.8V78 M80 S82 L87 A88 E89 Y95V78-Y85 HydrophobicContact CG1-CD2 3.51Å; V78-Y85 HydrophobicContact CG1-CE2 4.02Å; V78-Y85 HydrophobicContact CG1-CG 4.44Å; M80-Y85 HydrophobicContact CB-CD1 4.43Å; M80-Y85 HydrophobicContact CB-CE1 4.3Å; M80-Y85 HydrophobicContact CE-CD2 4.06Å; M80-Y85 HydrophobicContact CE-CE2 3.58Å; M80-Y85 WeakPolarHBondContact O-CD1 3.48Å; M80-Y85 HydrophobicContact SD-CE1 3.98Å; M80-Y85 HydrophobicContact SD-CE2 3.82Å; M80-Y85 PolarHBondContact SD-OH 2.92Å; S82-Y85 WeakPolarHBondContact O-CB 3.35Å; S82-Y85 PolarHBondContact O-N 2.83Å; Y85-L87 VanDerWaalsContact C-N 3.26Å; Y85-L87 PolarHBondContact O-N 3.05Å; Y85-A88 WeakPolarHBondContact O-CA 3.49Å; Y85-A88 VanDerWaalsContact O-CB 3.25Å; Y85-A88 WeakPolarHBondContact O-CB 3.39Å; Y85-A88 PolarHBondContact O-N 3.21Å; Y85-E89 WeakPolarHBondContact CE1-OE2 3.41Å; Y85-E89 PolarHBondContact O-N 3.42Å; Y85-Y95 HydrophobicContact CD2-CD2 4.03Å
86I88Confident84.4Confident69 Ų6965 Ų6535%0.35433%0.329SS..Hα-helixtrans-58.6-39.6178.2-63.8170.2000110.9D81 S82 T90 T137D81-I86 VanDerWaalsContact O-CD1 3.25Å; D81-I86 WeakPolarHBondContact O-CD1 3.11Å; S82-I86 PolarHBondContact O-N 2.87Å; S82-I86 VanDerWaalsContact O-N 3.08Å; I86-T90 WeakPolarHBondContact O-CB 3.15Å; I86-T90 PolarHBondContact O-N 2.92Å; I86-T90 PolarHBondContact O-OG1 3.2Å; I86-T137 HydrophobicContact CD1-CG2 3.94Å
87L89.8Confident84.7Confident15 Ų1565.8 Ų65.88%0.07933%0.328CS..Hα-helixtrans-63.2-43172.2178.562.7000112.3W83 Y85 E89 T90 M91 P109 T117W83-L87 HydrophobicContact CZ3-CD2 3.81Å; W83-L87 WeakPolarHBondContact O-CB 3.41Å; W83-L87 PolarHBondContact O-N 2.96Å; Y85-L87 VanDerWaalsContact C-N 3.26Å; Y85-L87 PolarHBondContact O-N 3.05Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 2.95Å; L87-T90 PolarHBondContact O-N 3.42Å; L87-M91 HydrophobicContact CD1-CG 3.68Å; L87-M91 HydrophobicContact CD1-SD 4.45Å; L87-M91 HydrophobicContact CG-CG 4.22Å; L87-M91 VanDerWaalsContact O-CB 3.29Å; L87-M91 WeakPolarHBondContact O-CB 3.34Å; L87-M91 WeakPolarHBondContact O-CG 3.49Å; L87-M91 PolarHBondContact O-N 3.38Å; L87-P109 HydrophobicContact CD2-CG 4.45Å; L87-T117 HydrophobicContact CD1-CG2 4.08Å; L87-T117 HydrophobicContact CD2-CG2 3.89Å
88A87.9Confident84.5Confident0 Ų065 Ų650%032%0.321CS..Hα-helixtrans-60-43.417900000111.9L84 Y85 G92 R93 Y95 P109L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 2.82Å; L84-A88 VanDerWaalsContact O-N 3.13Å; Y85-A88 WeakPolarHBondContact O-CA 3.49Å; Y85-A88 VanDerWaalsContact O-CB 3.25Å; Y85-A88 WeakPolarHBondContact O-CB 3.39Å; Y85-A88 PolarHBondContact O-N 3.21Å; A88-G92 PolarHBondContact O-N 3.04Å; A88-R93 CarbonylContact O-C 3.56Å; A88-R93 WeakPolarHBondContact O-CA 3.39Å; A88-R93 PolarHBondContact O-N 3.5Å; A88-Y95 HydrophobicContact CB-CD2 3.79Å; A88-Y95 HydrophobicContact CB-CE2 3.59Å; A88-P109 HydrophobicContact CB-CG 4.4Å
89E86.8Confident83.9Confident118 Ų11868.9 Ų68.955%0.55134%0.344SS*.Hα-helixtrans-67.3-48.5177.1-173.4160.6-144.600111.6Y85 L87 M91 G92Y85-E89 WeakPolarHBondContact CE1-OE2 3.41Å; Y85-E89 PolarHBondContact O-N 3.42Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 2.95Å; E89-M91 PolarHBondContact O-N 3.44Å; E89-G92 PolarHBondContact O-N 3.32Å
90T86.7Confident83.6Confident111 Ų11168.8 Ų68.868%0.68136%0.355SS*.Hα-helixtrans-58.3-35.8177.3-55.40000112.6I86 L87 G92I86-T90 WeakPolarHBondContact O-CB 3.15Å; I86-T90 PolarHBondContact O-N 2.92Å; I86-T90 PolarHBondContact O-OG1 3.2Å; L87-T90 PolarHBondContact O-N 3.42Å; T90-G92 VanDerWaalsContact C-N 3.28Å; T90-G92 PolarHBondContact O-N 3.46Å
91M84.9Confident83Confident97 Ų9767.1 Ų67.148%0.47836%0.363SS..THydrogen-bonded Turntrans-84.53.9178.7-65.7-74.2-71.500113.6L87 E89 R93 S113L87-M91 HydrophobicContact CD1-CG 3.68Å; L87-M91 HydrophobicContact CD1-SD 4.45Å; L87-M91 HydrophobicContact CG-CG 4.22Å; L87-M91 VanDerWaalsContact O-CB 3.29Å; L87-M91 WeakPolarHBondContact O-CB 3.34Å; L87-M91 WeakPolarHBondContact O-CG 3.49Å; L87-M91 PolarHBondContact O-N 3.38Å; E89-M91 PolarHBondContact O-N 3.44Å; M91-R93 VanDerWaalsContact C-N 3.29Å; M91-R93 PolarHBondContact O-N 3.01Å; M91-S113 VanDerWaalsContact CE-OG 3.29Å; M91-S113 WeakPolarHBondContact CE-OG 3.32Å
92G84.3Confident82.2Confident60 Ų6064.4 Ų64.462%0.61935%0.353SS*.THydrogen-bonded Turntrans69.221.4179.700000114.6A88 E89 T90 P94A88-G92 PolarHBondContact O-N 3.04Å; E89-G92 PolarHBondContact O-N 3.32Å; T90-G92 VanDerWaalsContact C-N 3.28Å; T90-G92 PolarHBondContact O-N 3.46Å; G92-P94 VanDerWaalsContact C-CD 3.44Å
93R86.4Confident81.2Confident126 Ų12666.7 Ų66.748%0.47538%0.377SS..  trans-128.859.9-178.6-63.4-171.3179.5-158.86.3111.8A88 M91 G108 N110A88-R93 CarbonylContact O-C 3.56Å; A88-R93 WeakPolarHBondContact O-CA 3.39Å; A88-R93 PolarHBondContact O-N 3.5Å; M91-R93 VanDerWaalsContact C-N 3.29Å; M91-R93 PolarHBondContact O-N 3.01Å; R93-G108 CarbonylContact O-C 3.22Å; R93-G108 VanDerWaalsContact O-CA 3.28Å; R93-G108 WeakPolarHBondContact O-CA 3.3Å; R93-G108 PolarHBondContact O-N 3.47Å; R93-N110 PolarHBondContact NH1-OD1 3.1Å
94P85.6Confident80.5Confident37 Ų3773.3 Ų73.324%0.2441%0.406CS..  trans-62.1153.7-177.628.6-36.7000111.8G92G92-P94 VanDerWaalsContact C-CD 3.44Å
95Y84.1Confident79.8Confident41 Ų4176.7 Ų76.716%0.16142%0.418CS..  trans-68.4134.1169.4-67.2-84.7000110.1V70 Y85 A88V70-Y95 HydrophobicContact CG2-CD2 4.22Å; V70-Y95 HydrophobicContact CG2-CE2 3.81Å; Y85-Y95 HydrophobicContact CD2-CD2 4.03Å; A88-Y95 HydrophobicContact CB-CD2 3.79Å; A88-Y95 HydrophobicContact CB-CE2 3.59Å
96R80.8Confident79.1Confident155 Ų15577.7 Ų77.759%0.58542%0.424SS*.EExtended strand (participates in β ladder)trans-129.8138.9178.5-66.1-176.8176.6168.8-0.1109.9T99 E106R96-T99 HydrophobicContact CB-CG2 3.97Å; R96-E106 PolarHBondContact N-O 2.72Å; R96-E106 PolarHBondContact O-N 2.88Å
97F78.4Confident78.6Confident111 Ų11177.6 Ų77.649%0.48744%0.44SS..EExtended strand (participates in β ladder)trans-89.7133.4175.7-171.4-112000110.7T99 W105F97-T99 PolarHBondContact O-N 2.95Å; F97-W105 HydrophobicContact CB-CD2 4.26Å; F97-W105 HydrophobicContact CB-CE3 3.95Å; F97-W105 HydrophobicContact CB-CH2 3.8Å; F97-W105 HydrophobicContact CB-CZ2 4.09Å; F97-W105 HydrophobicContact CB-CZ3 3.73Å; F97-W105 AromaticContact CD2-CD2 3.85Å; F97-W105 HydrophobicContact CD2-CD2 3.85Å; F97-W105 AromaticContact CD2-CE2 3.61Å; F97-W105 HydrophobicContact CD2-CE3 4.39Å; F97-W105 HydrophobicContact CD2-CG 4.16Å; F97-W105 AromaticContact CD2-CZ2 3.96Å; F97-W105 HydrophobicContact CD2-CZ2 3.96Å; F97-W105 AromaticContact CD2-NE1 3.81Å; F97-W105 HydrophobicContact CG-CH2 4.47Å; F97-W105 HydrophobicContact CG-CZ2 4.28Å
98N72.3Confident78.3Confident71 Ų7177.3 Ų77.338%0.3844%0.441SS..SBendtrans5834.2164.8-161.333.4000116.2T100 G101 S102 G103 K104N98-T100 VanDerWaalsContact C-N 3.32Å; N98-T100 PolarHBondContact O-N 3.41Å; N98-G101 PolarHBondContact O-N 3.41Å; N98-G101 WeakPolarHBondContact OD1-CA 3.48Å; N98-G101 PolarHBondContact OD1-N 2.93Å; N98-S102 PolarHBondContact OD1-N 2.85Å; N98-G103 PolarHBondContact OD1-N 3.46Å; N98-K104 PolarHBondContact N-O 2.99Å
99T66.5Low78.2Confident86 Ų8678.1 Ų78.153%0.52845%0.447SS..THydrogen-bonded Turntrans-66.5-28.117925.80000114.3R96 F97 E106R96-T99 HydrophobicContact CB-CG2 3.97Å; F97-T99 PolarHBondContact O-N 2.95Å; T99-E106 WeakPolarHBondContact CB-OE2 3.4Å; T99-E106 PolarHBondContact N-OE2 3.33Å; T99-E106 PolarHBondContact OG1-OE2 3.26Å
100T71.4Confident78.3Confident99 Ų9976.4 Ų76.461%0.60744%0.441SS*.THydrogen-bonded Turntrans-991.817657.60000115N98 S102 E106N98-T100 VanDerWaalsContact C-N 3.32Å; N98-T100 PolarHBondContact O-N 3.41Å; T100-S102 VanDerWaalsContact C-N 3.25Å; T100-S102 PolarHBondContact O-N 3.35Å; T100-S102 WeakPolarHBondContact OG1-CB 3.39Å; T100-S102 PolarHBondContact OG1-OG 2.85Å; T100-E106 WeakPolarHBondContact CB-OE1 3.42Å; T100-E106 WeakPolarHBondContact CG2-OE1 3.37Å; T100-E106 WeakPolarHBondContact CG2-OE2 3.36Å; T100-E106 PolarHBondContact N-OE2 3.1Å; T100-E106 PolarHBondContact OG1-OE1 2.94Å; T100-E106 PolarHBondContact OG1-OE2 3.26Å
101G67Low78.4Confident62 Ų6279.3 Ų79.364%0.63944%0.444SS*.SBendtrans76.37.9-171.500000114.5N98N98-G101 PolarHBondContact O-N 3.41Å; N98-G101 WeakPolarHBondContact OD1-CA 3.48Å; N98-G101 PolarHBondContact OD1-N 2.93Å
102S66.8Low78.6Confident58 Ų5880.5 Ų80.541%0.40645%0.453SS..SBendtrans-83.5-2.2-175.564.50000115.4N98 T100 K104 E106N98-S102 PolarHBondContact OD1-N 2.85Å; T100-S102 VanDerWaalsContact C-N 3.25Å; T100-S102 PolarHBondContact O-N 3.35Å; T100-S102 WeakPolarHBondContact OG1-CB 3.39Å; T100-S102 PolarHBondContact OG1-OG 2.85Å; S102-K104 VanDerWaalsContact C-N 3.28Å; S102-K104 PolarHBondContact O-N 2.89Å; S102-E106 PolarHBondContact OG-OE1 3.13Å
103G68.4Low78.9Confident49 Ų4979 Ų7951%0.50543%0.433SS..SBendtrans67.923.2-178.300000114.5N98N98-G103 PolarHBondContact OD1-N 3.46Å
104K76Confident79.1Confident143 Ų14373.4 Ų73.462%0.62241%0.412SS*.SBendtrans-121.7160.1-177.2-66.7179.8-177.7-1790112.2N98 S102N98-K104 PolarHBondContact N-O 2.99Å; S102-K104 VanDerWaalsContact C-N 3.28Å; S102-K104 PolarHBondContact O-N 2.89Å
105W74.3Confident79.5Confident72 Ų7276.1 Ų76.127%0.27342%0.418SS..EExtended strand (participates in β ladder)trans-74.2129.4164.3-72.1101.6000110I71 N76 V78 F97I71-W105 HydrophobicContact CD1-CB 4.09Å; I71-W105 HydrophobicContact CD1-CG 4.13Å; I71-W105 HydrophobicContact CG1-CG 4.47Å; N76-W105 WeakPolarHBondContact O-CZ2 3.48Å; N76-W105 PolarHBondContact O-NE1 2.65Å; V78-W105 HydrophobicContact CB-CH2 4.04Å; V78-W105 HydrophobicContact CB-CZ2 4.35Å; V78-W105 HydrophobicContact CB-CZ3 4.28Å; V78-W105 HydrophobicContact CG2-CD2 3.72Å; V78-W105 HydrophobicContact CG2-CE3 3.61Å; V78-W105 HydrophobicContact CG2-CH2 3.46Å; V78-W105 VanDerWaalsContact CG2-CH2 3.46Å; V78-W105 HydrophobicContact CG2-CZ2 3.58Å; V78-W105 HydrophobicContact CG2-CZ3 3.47Å; V78-W105 VanDerWaalsContact CG2-CZ3 3.47Å; F97-W105 HydrophobicContact CB-CD2 4.26Å; F97-W105 HydrophobicContact CB-CE3 3.95Å; F97-W105 HydrophobicContact CB-CH2 3.8Å; F97-W105 HydrophobicContact CB-CZ2 4.09Å; F97-W105 HydrophobicContact CB-CZ3 3.73Å; F97-W105 AromaticContact CD2-CD2 3.85Å; F97-W105 HydrophobicContact CD2-CD2 3.85Å; F97-W105 AromaticContact CD2-CE2 3.61Å; F97-W105 HydrophobicContact CD2-CE3 4.39Å; F97-W105 HydrophobicContact CD2-CG 4.16Å; F97-W105 AromaticContact CD2-CZ2 3.96Å; F97-W105 HydrophobicContact CD2-CZ2 3.96Å; F97-W105 AromaticContact CD2-NE1 3.81Å; F97-W105 HydrophobicContact CG-CH2 4.47Å; F97-W105 HydrophobicContact CG-CZ2 4.28Å
106E75.6Confident80Confident51 Ų5179.4 Ų79.424%0.23844%0.438CS..EExtended strand (participates in β ladder)trans-129.8152.1-177.2-63.3-177.713700110.2R96 T99 T100 S102R96-E106 PolarHBondContact N-O 2.72Å; R96-E106 PolarHBondContact O-N 2.88Å; T99-E106 WeakPolarHBondContact CB-OE2 3.4Å; T99-E106 PolarHBondContact N-OE2 3.33Å; T99-E106 PolarHBondContact OG1-OE2 3.26Å; T100-E106 WeakPolarHBondContact CB-OE1 3.42Å; T100-E106 WeakPolarHBondContact CG2-OE1 3.37Å; T100-E106 WeakPolarHBondContact CG2-OE2 3.36Å; T100-E106 PolarHBondContact N-OE2 3.1Å; T100-E106 PolarHBondContact OG1-OE1 2.94Å; T100-E106 PolarHBondContact OG1-OE2 3.26Å; S102-E106 PolarHBondContact OG-OE1 3.13Å
107G77.6Confident80.6Confident67 Ų6773 Ų7369%0.69142%0.416SS*.  trans99.8-149.9-175.500000113.1
108G82.3Confident81.3Confident10 Ų1067.8 Ų67.810%0.10339%0.393CS..  trans89.6167.4-173.700000114.8R93R93-G108 CarbonylContact O-C 3.22Å; R93-G108 VanDerWaalsContact O-CA 3.28Å; R93-G108 WeakPolarHBondContact O-CA 3.3Å; R93-G108 PolarHBondContact O-N 3.47Å
109P86.8Confident82.4Confident17 Ų1766.7 Ų66.711%0.1139%0.387CS..  trans-71.9154.6-179.226.9-33.3000113.2L84 L87 A88 V114L84-P109 HydrophobicContact CD1-CG 4.09Å; L87-P109 HydrophobicContact CD2-CG 4.45Å; A88-P109 HydrophobicContact CB-CG 4.4Å; P109-V114 HydrophobicContact CB-CG2 3.81Å; P109-V114 HydrophobicContact CG-CG2 3.44Å; P109-V114 VanDerWaalsContact CG-CG2 3.44Å
110N88.4Confident83.8Confident82 Ų8266.4 Ų66.444%0.43938%0.377SS..  trans-60.3136.6174.8-86.12.8000111R93 D112 S113 V114R93-N110 PolarHBondContact NH1-OD1 3.1Å; N110-D112 VanDerWaalsContact C-N 3.27Å; N110-D112 PolarHBondContact O-N 3.27Å; N110-S113 WeakPolarHBondContact O-CA 3.38Å; N110-S113 WeakPolarHBondContact O-CB 3.46Å; N110-S113 PolarHBondContact O-N 2.98Å; N110-V114 PolarHBondContact O-N 3.08Å
111K87.8Confident84.9Confident171 Ų17162.3 Ų62.374%0.74335%0.351SS*.Hα-helixtrans-52.5-40.8179.9-66.1-175.2177.2-177.10113.6S113 V114 Y115K111-S113 VanDerWaalsContact C-N 3.34Å; K111-S113 PolarHBondContact O-N 3.11Å; K111-V114 PolarHBondContact O-N 3.48Å; K111-Y115 PolarHBondContact O-N 3.11Å
112D89.8Confident86.2Confident123 Ų12359.3 Ų59.366%0.65832%0.32SS*.Hα-helixtrans-63.5-41.4177.1-49.7-40.4000111.6N110 Y115 I116N110-D112 VanDerWaalsContact C-N 3.27Å; N110-D112 PolarHBondContact O-N 3.27Å; D112-Y115 PolarHBondContact O-N 3.24Å; D112-I116 WeakPolarHBondContact O-CB 3.18Å; D112-I116 WeakPolarHBondContact O-CD1 3.35Å; D112-I116 VanDerWaalsContact O-CG1 3.24Å; D112-I116 WeakPolarHBondContact O-CG1 3.27Å; D112-I116 PolarHBondContact O-N 3.44Å
113S89.9Confident87.5Confident28 Ų2860 Ų6020%0.19632%0.318CS..Hα-helixtrans-68.7-38.5176.8-168.10000111.8M91 N110 K111 I116 T117M91-S113 VanDerWaalsContact CE-OG 3.29Å; M91-S113 WeakPolarHBondContact CE-OG 3.32Å; N110-S113 WeakPolarHBondContact O-CA 3.38Å; N110-S113 WeakPolarHBondContact O-CB 3.46Å; N110-S113 PolarHBondContact O-N 2.98Å; K111-S113 VanDerWaalsContact C-N 3.34Å; K111-S113 PolarHBondContact O-N 3.11Å; S113-I116 PolarHBondContact O-N 2.78Å; S113-T117 WeakPolarHBondContact O-CB 3.47Å; S113-T117 PolarHBondContact O-N 3.09Å; S113-T117 PolarHBondContact O-OG1 2.98Å
114V91.7Very high88.7Confident8 Ų858.2 Ų58.25%0.04830%0.297CS..Hα-helixtrans-61.3-48.6174.9177.50000110Y63 W83 L84 P109 N110 K111 I116 T117 S118Y63-V114 HydrophobicContact CD2-CG1 3.41Å; Y63-V114 VanDerWaalsContact CD2-CG1 3.41Å; Y63-V114 HydrophobicContact CE2-CG1 3.78Å; Y63-V114 HydrophobicContact CG-CG1 4.19Å; W83-V114 HydrophobicContact CH2-CG1 4.06Å; L84-V114 HydrophobicContact CD1-CG1 3.9Å; L84-V114 HydrophobicContact CD1-CG2 4Å; P109-V114 HydrophobicContact CB-CG2 3.81Å; P109-V114 HydrophobicContact CG-CG2 3.44Å; P109-V114 VanDerWaalsContact CG-CG2 3.44Å; N110-V114 PolarHBondContact O-N 3.08Å; K111-V114 PolarHBondContact O-N 3.48Å; V114-I116 PolarHBondContact O-N 3.29Å; V114-T117 PolarHBondContact O-N 2.98Å; V114-S118 WeakPolarHBondContact O-CB 3.2Å; V114-S118 PolarHBondContact O-N 3.33Å; V114-S118 PolarHBondContact O-OG 2.94Å; V114-S118 VanDerWaalsContact O-OG 3.09Å
115Y94.3Very high89.5Confident94 Ų9452.3 Ų52.337%0.36927%0.274SS..Hα-helixtrans-60.7-45.5177.8174.5-103.6000112.6H56 K111 D112 T117 S118 L119H56-Y115 AromaticContact CE1-CE2 3.97Å; H56-Y115 AromaticContact ND1-CE2 3.63Å; H56-Y115 AromaticContact ND1-CZ 3.68Å; H56-Y115 PolarHBondContact ND1-OH 3.24Å; K111-Y115 PolarHBondContact O-N 3.11Å; D112-Y115 PolarHBondContact O-N 3.24Å; Y115-T117 PolarHBondContact O-N 3.3Å; Y115-S118 PolarHBondContact O-N 3.2Å; Y115-L119 HydrophobicContact CE1-CD2 4.32Å; Y115-L119 WeakPolarHBondContact O-CB 3.12Å; Y115-L119 PolarHBondContact O-N 3.38Å
116I94.3Very high90.4Very high111 Ų11149 Ų4957%0.56926%0.261SS*.Hα-helixtrans-61.5-44.3177.2-69.6165.3000110.7D112 S113 V114 L119 Y120D112-I116 WeakPolarHBondContact O-CB 3.18Å; D112-I116 WeakPolarHBondContact O-CD1 3.35Å; D112-I116 VanDerWaalsContact O-CG1 3.24Å; D112-I116 WeakPolarHBondContact O-CG1 3.27Å; D112-I116 PolarHBondContact O-N 3.44Å; S113-I116 PolarHBondContact O-N 2.78Å; V114-I116 PolarHBondContact O-N 3.29Å; I116-L119 PolarHBondContact O-N 3.26Å; I116-Y120 VanDerWaalsContact O-CB 3.29Å; I116-Y120 WeakPolarHBondContact O-CB 3.39Å; I116-Y120 PolarHBondContact O-N 2.9Å
117T93.6Very high91.2Very high20 Ų2048.1 Ų48.112%0.12326%0.26CS..Hα-helixtrans-67.5-40.4178.5-60.20000112.4W83 L87 S113 V114 Y115 Y120 F121 I134W83-T117 HydrophobicContact CZ3-CG2 4.11Å; L87-T117 HydrophobicContact CD1-CG2 4.08Å; L87-T117 HydrophobicContact CD2-CG2 3.89Å; S113-T117 WeakPolarHBondContact O-CB 3.47Å; S113-T117 PolarHBondContact O-N 3.09Å; S113-T117 PolarHBondContact O-OG1 2.98Å; V114-T117 PolarHBondContact O-N 2.98Å; Y115-T117 PolarHBondContact O-N 3.3Å; T117-Y120 PolarHBondContact O-N 3.4Å; T117-F121 PolarHBondContact O-N 3.25Å; T117-I134 HydrophobicContact CG2-CD1 3.51Å; T117-I134 HydrophobicContact CG2-CG1 3.65Å
118S93.8Very high91.9Very high1 Ų149.5 Ų49.51%0.00726%0.258CS..Hα-helixtrans-62.1-42173.6-66.50000112.4W83 V114 Y115 T122W83-S118 WeakPolarHBondContact CH2-OG 3.34Å; V114-S118 WeakPolarHBondContact O-CB 3.2Å; V114-S118 PolarHBondContact O-N 3.33Å; V114-S118 PolarHBondContact O-OG 2.94Å; V114-S118 VanDerWaalsContact O-OG 3.09Å; Y115-S118 PolarHBondContact O-N 3.2Å; S118-T122 VanDerWaalsContact O-CB 3.32Å; S118-T122 WeakPolarHBondContact O-CB 3.44Å; S118-T122 PolarHBondContact O-N 3.34Å; S118-T122 PolarHBondContact O-OG1 3.13Å
119L94.6Very high92.5Very high49 Ų4953.6 Ų53.626%0.25728%0.277SS..Hα-helixtrans-66.9-42.1176.9-17466.7000110.9A55 A59 Y115 I116 T122 M123A55-L119 HydrophobicContact CB-CD1 4.24Å; A59-L119 HydrophobicContact CB-CB 4.18Å; A59-L119 HydrophobicContact CB-CD1 4.07Å; Y115-L119 HydrophobicContact CE1-CD2 4.32Å; Y115-L119 WeakPolarHBondContact O-CB 3.12Å; Y115-L119 PolarHBondContact O-N 3.38Å; I116-L119 PolarHBondContact O-N 3.26Å; L119-T122 PolarHBondContact O-N 2.87Å; L119-M123 HydrophobicContact CD1-CG 4.4Å; L119-M123 HydrophobicContact CG-CG 4.34Å; L119-M123 VanDerWaalsContact O-CB 3.29Å; L119-M123 WeakPolarHBondContact O-CB 3.37Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.42Å
120Y94.8Very high92.6Very high80 Ų8055.3 Ų55.331%0.31430%0.298SS..Hα-helixtrans-59.3-51.8173.9166.7-89.1000111.8I116 T117 T122 M123 T124 F131 N133 I134I116-Y120 VanDerWaalsContact O-CB 3.29Å; I116-Y120 WeakPolarHBondContact O-CB 3.39Å; I116-Y120 PolarHBondContact O-N 2.9Å; T117-Y120 PolarHBondContact O-N 3.4Å; Y120-T122 VanDerWaalsContact C-N 3.33Å; Y120-T122 PolarHBondContact O-N 3.21Å; Y120-M123 PolarHBondContact O-N 3.05Å; Y120-T124 HydrophobicContact CD1-CG2 4.48Å; Y120-T124 HydrophobicContact CD2-CG2 4.12Å; Y120-T124 HydrophobicContact CE1-CG2 4.15Å; Y120-T124 HydrophobicContact CE2-CG2 3.8Å; Y120-T124 HydrophobicContact CG-CG2 4.46Å; Y120-T124 WeakPolarHBondContact O-CG2 3.22Å; Y120-T124 PolarHBondContact O-N 2.89Å; Y120-T124 PolarHBondContact O-OG1 3.41Å; Y120-F131 HydrophobicContact CE2-CD2 4.24Å; Y120-F131 HydrophobicContact CE2-CE2 4.49Å; Y120-F131 AromaticContact CZ-CD2 3.91Å; Y120-F131 WeakPolarHBondContact OH-CD2 3.46Å; Y120-N133 VanDerWaalsContact CE1-ND2 3.27Å; Y120-N133 WeakPolarHBondContact CE1-ND2 3.34Å; Y120-N133 VanDerWaalsContact CE1-OD1 3.27Å; Y120-N133 WeakPolarHBondContact CE1-OD1 3.44Å; Y120-N133 PolarHBondContact OH-ND2 3.33Å; Y120-N133 VanDerWaalsContact OH-ND2 3.12Å; Y120-N133 PolarHBondContact OH-OD1 3.15Å; Y120-I134 HydrophobicContact CD1-CD1 3.88Å; Y120-I134 HydrophobicContact CE1-CD1 3.85Å
121F94.4Very high92.6Very high12 Ų1257.8 Ų57.85%0.05331%0.305CS..Hα-helixtrans-54.5-51.8176.9170.6-106.9000110.8W62 T117 M123 T124 S125 I134 M148W62-F121 AromaticContact CD1-CD1 3.72Å; W62-F121 AromaticContact CD2-CD1 3.62Å; W62-F121 HydrophobicContact CD2-CD1 3.62Å; W62-F121 AromaticContact CD2-CE1 3.51Å; W62-F121 HydrophobicContact CD2-CE1 3.51Å; W62-F121 AromaticContact CE2-CD1 3.36Å; W62-F121 AromaticContact CE2-CE1 3.42Å; W62-F121 VanDerWaalsContact CE2-CE1 3.42Å; W62-F121 HydrophobicContact CE3-CD1 4.34Å; W62-F121 AromaticContact CE3-CE1 3.77Å; W62-F121 HydrophobicContact CE3-CE1 3.77Å; W62-F121 AromaticContact CG-CD1 3.8Å; W62-F121 HydrophobicContact CG-CD1 3.8Å; W62-F121 HydrophobicContact CG-CE1 4.12Å; W62-F121 AromaticContact CH2-CE1 3.79Å; W62-F121 HydrophobicContact CH2-CE1 3.79Å; W62-F121 AromaticContact CH2-CZ 3.88Å; W62-F121 HydrophobicContact CH2-CZ 3.88Å; W62-F121 AromaticContact CZ2-CD1 3.86Å; W62-F121 HydrophobicContact CZ2-CD1 3.86Å; W62-F121 AromaticContact CZ2-CE1 3.57Å; W62-F121 HydrophobicContact CZ2-CE1 3.57Å; W62-F121 HydrophobicContact CZ2-CE2 4.35Å; W62-F121 HydrophobicContact CZ2-CG 4.37Å; W62-F121 AromaticContact CZ2-CZ 3.83Å; W62-F121 HydrophobicContact CZ2-CZ 3.83Å; W62-F121 AromaticContact CZ3-CE1 3.89Å; W62-F121 HydrophobicContact CZ3-CE1 3.89Å; W62-F121 HydrophobicContact CZ3-CZ 4.27Å; W62-F121 AromaticContact NE1-CD1 3.44Å; W62-F121 AromaticContact NE1-CG 3.91Å; T117-F121 PolarHBondContact O-N 3.25Å; F121-M123 PolarHBondContact O-N 3.28Å; F121-T124 PolarHBondContact O-N 3.09Å; F121-T124 PolarHBondContact O-OG1 3.35Å; F121-S125 PolarHBondContact O-N 2.93Å; F121-I134 HydrophobicContact CB-CB 4.36Å; F121-I134 HydrophobicContact CB-CG2 4.23Å; F121-I134 HydrophobicContact CD2-CB 4.09Å; F121-I134 HydrophobicContact CD2-CG2 3.93Å; F121-I134 VanDerWaalsContact CD2-O 3.31Å; F121-I134 WeakPolarHBondContact CD2-O 3.36Å; F121-I134 WeakPolarHBondContact CE2-O 3.32Å; F121-I134 HydrophobicContact CG-CG2 4.16Å; F121-M148 HydrophobicContact CD1-CE 4.17Å; F121-M148 HydrophobicContact CE1-CE 3.77Å
122T94.7Very high92.4Very high0 Ų052.2 Ų52.20%030%0.296CS..Hα-helixtrans-60.6-44.6-179.4-56.50000112.3A55 L58 A59 S118 L119 Y120 S125 L126 M148A55-T122 HydrophobicContact CB-CG2 4.42Å; A55-T122 WeakPolarHBondContact O-CG2 3.24Å; L58-T122 HydrophobicContact CB-CG2 3.43Å; L58-T122 VanDerWaalsContact CB-CG2 3.43Å; A59-T122 VanDerWaalsContact CA-OG1 3.28Å; A59-T122 WeakPolarHBondContact CA-OG1 3.34Å; A59-T122 PolarHBondContact N-OG1 2.85Å; S118-T122 VanDerWaalsContact O-CB 3.32Å; S118-T122 WeakPolarHBondContact O-CB 3.44Å; S118-T122 PolarHBondContact O-N 3.34Å; S118-T122 PolarHBondContact O-OG1 3.13Å; L119-T122 PolarHBondContact O-N 2.87Å; Y120-T122 VanDerWaalsContact C-N 3.33Å; Y120-T122 PolarHBondContact O-N 3.21Å; T122-S125 PolarHBondContact O-N 3.39Å; T122-L126 HydrophobicContact CG2-CD1 3.83Å; T122-L126 HydrophobicContact CG2-CG 4.27Å; T122-L126 WeakPolarHBondContact O-CB 3.43Å; T122-L126 VanDerWaalsContact O-CG 3.25Å; T122-L126 WeakPolarHBondContact O-CG 3.46Å; T122-L126 PolarHBondContact O-N 3.39Å; T122-M148 HydrophobicContact CG2-CE 4.09Å; T122-M148 HydrophobicContact CG2-SD 3.94Å
123M94Very high92.2Very high72 Ų7251.1 Ų51.136%0.35529%0.29SS..Hα-helixtrans-60.1-48.3175.3-74.8-73.9-73.700110.9F51 A55 L119 Y120 F121 S125 L126 T127F51-M123 HydrophobicContact CE1-CE 3.99Å; F51-M123 HydrophobicContact CE1-SD 3.79Å; A55-M123 HydrophobicContact CB-CG 4.16Å; A55-M123 HydrophobicContact CB-SD 3.51Å; A55-M123 VanDerWaalsContact CB-SD 3.51Å; L119-M123 HydrophobicContact CD1-CG 4.4Å; L119-M123 HydrophobicContact CG-CG 4.34Å; L119-M123 VanDerWaalsContact O-CB 3.29Å; L119-M123 WeakPolarHBondContact O-CB 3.37Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.42Å; Y120-M123 PolarHBondContact O-N 3.05Å; F121-M123 PolarHBondContact O-N 3.28Å; M123-S125 VanDerWaalsContact C-N 3.28Å; M123-S125 PolarHBondContact O-N 2.91Å; M123-L126 PolarHBondContact O-N 2.98Å; M123-T127 WeakPolarHBondContact O-CG2 3.33Å; M123-T127 PolarHBondContact O-N 3.44Å; M123-T127 PolarHBondContact O-OG1 3.04Å
124T94.2Very high92.1Very high11 Ų1151 Ų517%0.06729%0.287CS..Hα-helixtrans-66-29.3-177.563.70000113.6Y120 F121 S128 I129 G130 F131Y120-T124 HydrophobicContact CD1-CG2 4.48Å; Y120-T124 HydrophobicContact CD2-CG2 4.12Å; Y120-T124 HydrophobicContact CE1-CG2 4.15Å; Y120-T124 HydrophobicContact CE2-CG2 3.8Å; Y120-T124 HydrophobicContact CG-CG2 4.46Å; Y120-T124 WeakPolarHBondContact O-CG2 3.22Å; Y120-T124 PolarHBondContact O-N 2.89Å; Y120-T124 PolarHBondContact O-OG1 3.41Å; F121-T124 PolarHBondContact O-N 3.09Å; F121-T124 PolarHBondContact O-OG1 3.35Å; T124-S128 PolarHBondContact O-N 3.47Å; T124-I129 PolarHBondContact O-N 3.28Å; T124-G130 PolarHBondContact O-N 2.84Å; T124-F131 HydrophobicContact CG2-CD2 3.53Å; T124-F131 HydrophobicContact CG2-CE2 3.91Å
125S93.6Very high91.9Very high20 Ų2052.7 Ų52.714%0.1430%0.302CS..Hα-helixtrans-74.8-48.3172.2-179.30000111.5F121 T122 M123 T127 S128 M148F121-S125 PolarHBondContact O-N 2.93Å; T122-S125 PolarHBondContact O-N 3.39Å; M123-S125 VanDerWaalsContact C-N 3.28Å; M123-S125 PolarHBondContact O-N 2.91Å; S125-T127 VanDerWaalsContact C-N 3.33Å; S125-T127 PolarHBondContact O-N 3.4Å; S125-S128 PolarHBondContact O-N 2.85Å; S125-M148 WeakPolarHBondContact CB-SD 3.29Å; S125-M148 PolarHBondContact OG-SD 2.86Å; S125-M148 VanDerWaalsContact OG-SD 3.32Å
126L92.8Very high91.8Very high2 Ų250.1 Ų50.11%0.0130%0.297CS..Hα-helixtrans-63.8-32.8177.9-73.1175.8000113.7F51 A55 L58 T122 M123 S128 M148 G152F51-L126 HydrophobicContact CE2-CB 3.85Å; F51-L126 HydrophobicContact CZ-CB 3.79Å; A55-L126 HydrophobicContact CB-CD1 3.66Å; L58-L126 HydrophobicContact CD1-CD1 4.12Å; L58-L126 HydrophobicContact CD1-CD2 3.9Å; L58-L126 HydrophobicContact CD1-CG 4.42Å; T122-L126 HydrophobicContact CG2-CD1 3.83Å; T122-L126 HydrophobicContact CG2-CG 4.27Å; T122-L126 WeakPolarHBondContact O-CB 3.43Å; T122-L126 VanDerWaalsContact O-CG 3.25Å; T122-L126 WeakPolarHBondContact O-CG 3.46Å; T122-L126 PolarHBondContact O-N 3.39Å; M123-L126 PolarHBondContact O-N 2.98Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-M148 HydrophobicContact CD2-CG 4.3Å; L126-G152 VanDerWaalsContact CD2-CA 3.41Å
127T92.8Very high91.6Very high33 Ų3347.2 Ų47.220%0.20228%0.284CS..THydrogen-bonded Turntrans-86.25173.662.90000113.3F51 M123 S125 I129F51-T127 HydrophobicContact CE1-CG2 4.17Å; F51-T127 HydrophobicContact CZ-CG2 3.68Å; M123-T127 WeakPolarHBondContact O-CG2 3.33Å; M123-T127 PolarHBondContact O-N 3.44Å; M123-T127 PolarHBondContact O-OG1 3.04Å; S125-T127 VanDerWaalsContact C-N 3.33Å; S125-T127 PolarHBondContact O-N 3.4Å; T127-I129 PolarHBondContact O-N 2.83Å; T127-I129 VanDerWaalsContact O-N 3.16Å; T127-I129 VanDerWaalsContact OG1-CD1 3.26Å; T127-I129 WeakPolarHBondContact OG1-CD1 3.48Å; T127-I129 WeakPolarHBondContact OG1-CG1 3.25Å
128S91.7Very high91.4Very high95 Ų9547.2 Ų47.266%0.66428%0.284SS*.THydrogen-bonded Turntrans5624.2-177.264.90000115.8T124 S125 L126T124-S128 PolarHBondContact O-N 3.47Å; S125-S128 PolarHBondContact O-N 2.85Å; L126-S128 VanDerWaalsContact C-N 3.29Å
129I94.4Very high91.2Very high97 Ų9752.5 Ų52.550%0.49731%0.313SS..  trans-83-43.6179-63171.4000111T124 T127 F131T124-I129 PolarHBondContact O-N 3.28Å; T127-I129 PolarHBondContact O-N 2.83Å; T127-I129 VanDerWaalsContact O-N 3.16Å; T127-I129 VanDerWaalsContact OG1-CD1 3.26Å; T127-I129 WeakPolarHBondContact OG1-CD1 3.48Å; T127-I129 WeakPolarHBondContact OG1-CG1 3.25Å; I129-F131 HydrophobicContact CG2-CD1 3.96Å; I129-F131 HydrophobicContact CG2-CD2 3.87Å; I129-F131 HydrophobicContact CG2-CE1 3.67Å; I129-F131 HydrophobicContact CG2-CE2 3.58Å; I129-F131 HydrophobicContact CG2-CG 4.07Å; I129-F131 HydrophobicContact CG2-CZ 3.48Å; I129-F131 VanDerWaalsContact CG2-CZ 3.48Å; I129-F131 PolarHBondContact O-N 3.36Å
130G88.5Confident90.9Very high53 Ų5351.6 Ų51.655%0.54632%0.315SS..  trans54.853.6170.700000116T124 G132T124-G130 PolarHBondContact O-N 2.84Å; G130-G132 PolarHBondContact O-N 3.08Å
131F88.5Confident90.8Very high134 Ų13447.8 Ų47.859%0.58830%0.3SS*.  trans-57.7-19.7-178.1-68-66.8000115.5Y120 T124 I129 N133Y120-F131 HydrophobicContact CE2-CD2 4.24Å; Y120-F131 HydrophobicContact CE2-CE2 4.49Å; Y120-F131 AromaticContact CZ-CD2 3.91Å; Y120-F131 WeakPolarHBondContact OH-CD2 3.46Å; T124-F131 HydrophobicContact CG2-CD2 3.53Å; T124-F131 HydrophobicContact CG2-CE2 3.91Å; I129-F131 HydrophobicContact CG2-CD1 3.96Å; I129-F131 HydrophobicContact CG2-CD2 3.87Å; I129-F131 HydrophobicContact CG2-CE1 3.67Å; I129-F131 HydrophobicContact CG2-CE2 3.58Å; I129-F131 HydrophobicContact CG2-CG 4.07Å; I129-F131 HydrophobicContact CG2-CZ 3.48Å; I129-F131 VanDerWaalsContact CG2-CZ 3.48Å; I129-F131 PolarHBondContact O-N 3.36Å; F131-N133 VanDerWaalsContact C-N 3.28Å; F131-N133 PolarHBondContact O-N 3Å
132G83.8Confident90.7Very high54 Ų5451.5 Ų51.556%0.55732%0.316SS*.  trans76.41171.400000116.6G130 I134G130-G132 PolarHBondContact O-N 3.08Å; G132-I134 VanDerWaalsContact C-N 3.33Å
133N85.3Confident90.6Very high99 Ų9957.5 Ų57.553%0.52935%0.347SS..SBendtrans-73.1-21.7175.160.6-39.2000114.1Y120 F131Y120-N133 VanDerWaalsContact CE1-ND2 3.27Å; Y120-N133 WeakPolarHBondContact CE1-ND2 3.34Å; Y120-N133 VanDerWaalsContact CE1-OD1 3.27Å; Y120-N133 WeakPolarHBondContact CE1-OD1 3.44Å; Y120-N133 PolarHBondContact OH-ND2 3.33Å; Y120-N133 VanDerWaalsContact OH-ND2 3.12Å; Y120-N133 PolarHBondContact OH-OD1 3.15Å; F131-N133 VanDerWaalsContact C-N 3.28Å; F131-N133 PolarHBondContact O-N 3Å
134I87.8Confident90.6Very high25 Ų2555.3 Ų55.313%0.12834%0.336CS..SBendtrans-124.4128.3158.5-6293.4000105.4W62 W83 T117 Y120 F121 G132W62-I134 HydrophobicContact CZ2-CG2 4.27Å; W83-I134 HydrophobicContact CB-CG2 4.21Å; W83-I134 HydrophobicContact CD2-CG2 4.37Å; W83-I134 HydrophobicContact CE3-CG2 3.82Å; T117-I134 HydrophobicContact CG2-CD1 3.51Å; T117-I134 HydrophobicContact CG2-CG1 3.65Å; Y120-I134 HydrophobicContact CD1-CD1 3.88Å; Y120-I134 HydrophobicContact CE1-CD1 3.85Å; F121-I134 HydrophobicContact CB-CB 4.36Å; F121-I134 HydrophobicContact CB-CG2 4.23Å; F121-I134 HydrophobicContact CD2-CB 4.09Å; F121-I134 HydrophobicContact CD2-CG2 3.93Å; F121-I134 VanDerWaalsContact CD2-O 3.31Å; F121-I134 WeakPolarHBondContact CD2-O 3.36Å; F121-I134 WeakPolarHBondContact CE2-O 3.32Å; F121-I134 HydrophobicContact CG-CG2 4.16Å; G132-I134 VanDerWaalsContact C-N 3.33Å
135A88.6Confident90.5Very high44 Ų4455.1 Ų55.136%0.36434%0.335SS..  trans-141.9149.2-17500000110.2T137A135-T137 PolarHBondContact O-N 2.83Å
136P91.4Very high90.6Very high41 Ų4159 Ų5927%0.26636%0.358SS..  trans-72.2123.4174.831.3-36.2000111W62 E141 K142 A145W62-P136 HydrophobicContact CH2-CB 4.05Å; P136-E141 WeakPolarHBondContact CA-OE2 3.5Å; P136-E141 VanDerWaalsContact CB-C 3.5Å; P136-E141 HydrophobicContact CB-CB 3.69Å; P136-K142 HydrophobicContact CB-CG 4.18Å; P136-K142 HydrophobicContact CG-CG 4.48Å; P136-A145 HydrophobicContact CB-CB 3.99Å; P136-A145 HydrophobicContact CG-CB 3.64Å
137T90.6Very high90.6Very high50 Ų5060.8 Ų60.831%0.30737%0.373SS..  trans-109.8-36.8-17753.50000112.1D81 I86 A135 E141 K142D81-T137 VanDerWaalsContact O-CB 3.31Å; D81-T137 WeakPolarHBondContact O-CB 3.26Å; D81-T137 PolarHBondContact O-OG1 3.03Å; I86-T137 HydrophobicContact CD1-CG2 3.94Å; A135-T137 PolarHBondContact O-N 2.83Å; T137-E141 PolarHBondContact N-OE2 3.26Å; T137-E141 PolarHBondContact OG1-OE2 2.88Å; T137-E141 VanDerWaalsContact OG1-OE2 3.11Å; T137-K142 WeakPolarHBondContact O-CE 3.41Å; T137-K142 PolarHBondContact O-NZ 3.47Å
138T90.1Very high90.6Very high20 Ų2059.2 Ų59.212%0.12336%0.363CS..SBendtrans-84.4166.1178.377.60000111.2E69 E141 K142E69-T138 WeakPolarHBondContact OE2-CB 3.32Å; E69-T138 VanDerWaalsContact OE2-CG2 3.27Å; E69-T138 WeakPolarHBondContact OE2-CG2 3.39Å; E69-T138 PolarHBondContact OE2-OG1 2.76Å; T138-E141 HydrophobicContact CG2-CG 4.48Å; T138-E141 VanDerWaalsContact OG1-CB 3.26Å; T138-E141 WeakPolarHBondContact OG1-CB 3.5Å; T138-E141 WeakPolarHBondContact OG1-CG 3.3Å; T138-E141 PolarHBondContact OG1-N 2.81Å; T138-E141 VanDerWaalsContact OG1-N 3.12Å; T138-K142 WeakPolarHBondContact O-CB 3.47Å; T138-K142 WeakPolarHBondContact O-CD 3.3Å; T138-K142 WeakPolarHBondContact O-CE 3.4Å; T138-K142 WeakPolarHBondContact O-CG 3.47Å; T138-K142 PolarHBondContact O-N 3.48Å
139D89.6Confident90.6Very high112 Ų11260.3 Ų60.360%0.59936%0.359SS*.Hα-helixtrans-74.4-31.6-178.7-63.1-22.7000112.6K142 I143D139-K142 PolarHBondContact O-N 2.77Å; D139-K142 IonicContact OD1-NZ 3.19Å; D139-K142 PolarHBondContact OD1-NZ 2.71Å; D139-I143 WeakPolarHBondContact O-CB 3.43Å; D139-I143 WeakPolarHBondContact O-CD1 3.24Å; D139-I143 WeakPolarHBondContact O-CG1 3.46Å; D139-I143 PolarHBondContact O-N 2.84Å
140G87.4Confident90.6Very high30 Ų3061.5 Ų61.531%0.30936%0.364SS..Hα-helixtrans-66.3-45.9171.500000112.2E69 K142 I143 F144E69-G140 WeakPolarHBondContact OE1-CA 3.25Å; G140-K142 PolarHBondContact O-N 2.82Å; G140-I143 PolarHBondContact O-N 2.87Å; G140-F144 PolarHBondContact O-N 2.89Å; G140-F144 VanDerWaalsContact O-N 3.07Å
141E91.9Very high90.8Very high0 Ų062.5 Ų62.50%036%0.356CS..Hα-helixtrans-59.1-43173.3-71.8173.4-17000111.9W62 I65 S82 W83 P136 T137 T138 F144 A145W62-E141 HydrophobicContact CH2-CB 3.8Å; W62-E141 HydrophobicContact CH2-CG 3.8Å; W62-E141 HydrophobicContact CZ3-CB 3.76Å; W62-E141 HydrophobicContact CZ3-CG 3.84Å; I65-E141 HydrophobicContact CG2-CG 4.15Å; S82-E141 WeakPolarHBondContact CA-OE1 3.44Å; S82-E141 WeakPolarHBondContact CB-OE1 3.47Å; S82-E141 PolarHBondContact OG-OE1 3.06Å; W83-E141 VanDerWaalsContact CD1-OE1 3.29Å; W83-E141 PolarHBondContact N-OE1 3.25Å; P136-E141 WeakPolarHBondContact CA-OE2 3.5Å; P136-E141 VanDerWaalsContact CB-C 3.5Å; P136-E141 HydrophobicContact CB-CB 3.69Å; T137-E141 PolarHBondContact N-OE2 3.26Å; T137-E141 PolarHBondContact OG1-OE2 2.88Å; T137-E141 VanDerWaalsContact OG1-OE2 3.11Å; T138-E141 HydrophobicContact CG2-CG 4.48Å; T138-E141 VanDerWaalsContact OG1-CB 3.26Å; T138-E141 WeakPolarHBondContact OG1-CB 3.5Å; T138-E141 WeakPolarHBondContact OG1-CG 3.3Å; T138-E141 PolarHBondContact OG1-N 2.81Å; T138-E141 VanDerWaalsContact OG1-N 3.12Å; E141-F144 PolarHBondContact O-N 2.65Å; E141-A145 WeakPolarHBondContact O-CB 3.31Å; E141-A145 PolarHBondContact O-N 3.16Å
142K92.9Very high90.9Very high89 Ų8956.2 Ų56.239%0.38733%0.329SS..Hα-helixtrans-64.8-46177.6-74.2165.5-151.91480112.6P136 T137 T138 D139 G140 F144 A145 V146P136-K142 HydrophobicContact CB-CG 4.18Å; P136-K142 HydrophobicContact CG-CG 4.48Å; T137-K142 WeakPolarHBondContact O-CE 3.41Å; T137-K142 PolarHBondContact O-NZ 3.47Å; T138-K142 WeakPolarHBondContact O-CB 3.47Å; T138-K142 WeakPolarHBondContact O-CD 3.3Å; T138-K142 WeakPolarHBondContact O-CE 3.4Å; T138-K142 WeakPolarHBondContact O-CG 3.47Å; T138-K142 PolarHBondContact O-N 3.48Å; D139-K142 PolarHBondContact O-N 2.77Å; D139-K142 IonicContact OD1-NZ 3.19Å; D139-K142 PolarHBondContact OD1-NZ 2.71Å; G140-K142 PolarHBondContact O-N 2.82Å; K142-F144 VanDerWaalsContact C-N 3.29Å; K142-F144 PolarHBondContact O-N 3.4Å; K142-A145 PolarHBondContact O-N 2.8Å; K142-V146 WeakPolarHBondContact O-CG2 3.48Å; K142-V146 PolarHBondContact O-N 3.37Å
143I93.6Very high91.4Very high126 Ų12656.9 Ų56.965%0.64633%0.325SS*.Hα-helixtrans-59.3-44.5178.2-71.6163.8000110D139 G140 V146 A147D139-I143 WeakPolarHBondContact O-CB 3.43Å; D139-I143 WeakPolarHBondContact O-CD1 3.24Å; D139-I143 WeakPolarHBondContact O-CG1 3.46Å; D139-I143 PolarHBondContact O-N 2.84Å; G140-I143 PolarHBondContact O-N 2.87Å; I143-V146 PolarHBondContact O-N 3.21Å; I143-A147 PolarHBondContact O-N 3.13Å; I143-A147 VanDerWaalsContact O-N 3.07Å
144F93.1Very high91.7Very high27 Ų2757.6 Ų57.612%0.11833%0.328CS..Hα-helixtrans-65.8-40.8175.8175.2-102.6000112.7L58 I61 W62 I65 G140 E141 K142 V146 A147 M148L58-F144 HydrophobicContact CB-CZ 4.49Å; L58-F144 HydrophobicContact CD2-CE2 4Å; L58-F144 HydrophobicContact CD2-CZ 3.99Å; L58-F144 WeakPolarHBondContact O-CZ 3.5Å; I61-F144 HydrophobicContact CB-CE2 3.99Å; I61-F144 HydrophobicContact CB-CZ 4.03Å; I61-F144 HydrophobicContact CG2-CD2 3.96Å; I61-F144 HydrophobicContact CG2-CE2 3.37Å; I61-F144 HydrophobicContact CG2-CZ 3.82Å; W62-F144 HydrophobicContact CB-CE1 3.85Å; W62-F144 HydrophobicContact CB-CZ 4.41Å; W62-F144 HydrophobicContact CD2-CD1 4.5Å; W62-F144 HydrophobicContact CD2-CE1 4.3Å; W62-F144 AromaticContact CE3-CD1 3.45Å; W62-F144 HydrophobicContact CE3-CD1 3.45Å; W62-F144 VanDerWaalsContact CE3-CD1 3.45Å; W62-F144 AromaticContact CE3-CE1 3.64Å; W62-F144 HydrophobicContact CE3-CE1 3.64Å; W62-F144 HydrophobicContact CG-CE1 4.44Å; W62-F144 AromaticContact CZ3-CD1 3.96Å; W62-F144 HydrophobicContact CZ3-CD1 3.96Å; I65-F144 HydrophobicContact CD1-CB 3.6Å; I65-F144 HydrophobicContact CD1-CD1 3.83Å; I65-F144 HydrophobicContact CD1-CD2 3.67Å; I65-F144 HydrophobicContact CD1-CE1 4.39Å; I65-F144 HydrophobicContact CD1-CE2 4.29Å; I65-F144 HydrophobicContact CD1-CG 3.39Å; G140-F144 PolarHBondContact O-N 2.89Å; G140-F144 VanDerWaalsContact O-N 3.07Å; E141-F144 PolarHBondContact O-N 2.65Å; K142-F144 VanDerWaalsContact C-N 3.29Å; K142-F144 PolarHBondContact O-N 3.4Å; F144-V146 PolarHBondContact O-N 3.48Å; F144-A147 PolarHBondContact O-N 2.74Å; F144-M148 HydrophobicContact CD1-CE 4.07Å; F144-M148 HydrophobicContact CE1-CE 3.21Å; F144-M148 HydrophobicContact CZ-CE 3.7Å; F144-M148 WeakPolarHBondContact O-CB 3.22Å; F144-M148 PolarHBondContact O-N 2.83Å
145A92.7Very high91.8Very high7 Ų758.4 Ų58.46%0.05833%0.333CS..Hα-helixtrans-62-42.5176.200000112.3P136 E141 K142 A147 M148 M149P136-A145 HydrophobicContact CB-CB 3.99Å; P136-A145 HydrophobicContact CG-CB 3.64Å; E141-A145 WeakPolarHBondContact O-CB 3.31Å; E141-A145 PolarHBondContact O-N 3.16Å; K142-A145 PolarHBondContact O-N 2.8Å; A145-A147 PolarHBondContact O-N 2.82Å; A145-M148 PolarHBondContact O-N 3.26Å; A145-M149 WeakPolarHBondContact O-CB 3.48Å; A145-M149 VanDerWaalsContact O-CG 3.26Å; A145-M149 WeakPolarHBondContact O-CG 3.19Å; A145-M149 PolarHBondContact O-N 3.08Å
146V94.3Very high92Very high101 Ų10160.4 Ų60.461%0.61233%0.331SS*.Hα-helixtrans-60.8-44.7174.1171.40000111.1K142 I143 F144 M149 M150K142-V146 WeakPolarHBondContact O-CG2 3.48Å; K142-V146 PolarHBondContact O-N 3.37Å; I143-V146 PolarHBondContact O-N 3.21Å; F144-V146 PolarHBondContact O-N 3.48Å; V146-M149 PolarHBondContact O-N 2.84Å; V146-M150 PolarHBondContact O-N 3.37Å
147A93Very high92.1Very high39 Ų3961.3 Ų61.332%0.32234%0.343SS..Hα-helixtrans-62.8-41.7175.500000112.2I143 F144 A145 M150 I151I143-A147 PolarHBondContact O-N 3.13Å; I143-A147 VanDerWaalsContact O-N 3.07Å; F144-A147 PolarHBondContact O-N 2.74Å; A145-A147 PolarHBondContact O-N 2.82Å; A147-M150 PolarHBondContact O-N 2.77Å; A147-I151 WeakPolarHBondContact O-CG1 3.4Å; A147-I151 PolarHBondContact O-N 3.06Å
148M92.6Very high92Very high1 Ų162.4 Ų62.41%0.00535%0.349CS..Hα-helixtrans-63.6-44.7176.6-168.8-160.2-64.300111.6L58 F121 T122 S125 L126 F144 A145 M150 I151 G152L58-M148 HydrophobicContact CD1-CG 4.14Å; L58-M148 HydrophobicContact CD2-CG 4.49Å; F121-M148 HydrophobicContact CD1-CE 4.17Å; F121-M148 HydrophobicContact CE1-CE 3.77Å; T122-M148 HydrophobicContact CG2-CE 4.09Å; T122-M148 HydrophobicContact CG2-SD 3.94Å; S125-M148 WeakPolarHBondContact CB-SD 3.29Å; S125-M148 PolarHBondContact OG-SD 2.86Å; S125-M148 VanDerWaalsContact OG-SD 3.32Å; L126-M148 HydrophobicContact CD2-CG 4.3Å; F144-M148 HydrophobicContact CD1-CE 4.07Å; F144-M148 HydrophobicContact CE1-CE 3.21Å; F144-M148 HydrophobicContact CZ-CE 3.7Å; F144-M148 WeakPolarHBondContact O-CB 3.22Å; F144-M148 PolarHBondContact O-N 2.83Å; A145-M148 PolarHBondContact O-N 3.26Å; M148-M150 VanDerWaalsContact C-N 3.34Å; M148-M150 PolarHBondContact O-N 2.93Å; M148-I151 PolarHBondContact O-N 3.44Å; M148-G152 PolarHBondContact O-N 3.41Å
149M93.6Very high92.1Very high117 Ų11762.7 Ų62.758%0.57635%0.35SS*.Hα-helixtrans-62.7-40.5177.9-72.2172.871.400111.4A145 V146 G152 S153A145-M149 WeakPolarHBondContact O-CB 3.48Å; A145-M149 VanDerWaalsContact O-CG 3.26Å; A145-M149 WeakPolarHBondContact O-CG 3.19Å; A145-M149 PolarHBondContact O-N 3.08Å; V146-M149 PolarHBondContact O-N 2.84Å; M149-G152 PolarHBondContact O-N 2.97Å; M149-S153 WeakPolarHBondContact O-CB 3.21Å; M149-S153 PolarHBondContact O-N 2.89Å
150M93.9Very high92.2Very high122 Ų12262.5 Ų62.560%0.60134%0.344SS*.Hα-helixtrans-61.9-49.3174.9-174172.863.400111.6V146 A147 M148 G152 S153 L154V146-M150 PolarHBondContact O-N 3.37Å; A147-M150 PolarHBondContact O-N 2.77Å; M148-M150 VanDerWaalsContact C-N 3.34Å; M148-M150 PolarHBondContact O-N 2.93Å; M150-G152 VanDerWaalsContact C-N 3.35Å; M150-G152 PolarHBondContact O-N 2.69Å; M150-S153 PolarHBondContact O-N 2.74Å; M150-S153 PolarHBondContact O-OG 3.21Å; M150-L154 PolarHBondContact O-N 2.67Å
151I91.3Very high92.4Very high75 Ų7562.8 Ų62.839%0.38535%0.347SS..Hα-helixtrans-62.5-42.4176.8-67165.5000111A147 M148 L154 L155A147-I151 WeakPolarHBondContact O-CG1 3.4Å; A147-I151 PolarHBondContact O-N 3.06Å; M148-I151 PolarHBondContact O-N 3.44Å; I151-L154 PolarHBondContact O-N 3.21Å; I151-L155 HydrophobicContact CG2-CD1 3.85Å; I151-L155 HydrophobicContact CG2-CG 4.32Å; I151-L155 WeakPolarHBondContact O-CG 3.28Å; I151-L155 PolarHBondContact O-N 2.88Å
152G92.4Very high92.3Very high1 Ų165.5 Ų65.51%0.0136%0.361CS..Hα-helixtrans-60.5-46.7178.400000112.5L126 M148 M149 M150 L154 L155 Y156L126-G152 VanDerWaalsContact CD2-CA 3.41Å; M148-G152 PolarHBondContact O-N 3.41Å; M149-G152 PolarHBondContact O-N 2.97Å; M150-G152 VanDerWaalsContact C-N 3.35Å; M150-G152 PolarHBondContact O-N 2.69Å; G152-L154 VanDerWaalsContact C-N 3.3Å; G152-L154 PolarHBondContact O-N 2.91Å; G152-L155 PolarHBondContact O-N 3.29Å; G152-Y156 VanDerWaalsContact O-CB 3.23Å; G152-Y156 WeakPolarHBondContact O-CB 3.39Å; G152-Y156 PolarHBondContact O-N 3.02Å
153S93Very high92.1Very high69 Ų6962.9 Ų62.948%0.48335%0.352SS..Hα-helixtrans-57.7-41.6177.373.90000112.6M149 M150 A157M149-S153 WeakPolarHBondContact O-CB 3.21Å; M149-S153 PolarHBondContact O-N 2.89Å; M150-S153 PolarHBondContact O-N 2.74Å; M150-S153 PolarHBondContact O-OG 3.21Å; S153-A157 VanDerWaalsContact O-CB 3.22Å; S153-A157 WeakPolarHBondContact O-CB 3.33Å; S153-A157 PolarHBondContact O-N 2.72Å
154L91.9Very high92Very high113 Ų11360.1 Ų60.159%0.59234%0.342SS*.Hα-helixtrans-70.2-43179-68171.5000112M150 I151 G152 T158M150-L154 PolarHBondContact O-N 2.67Å; I151-L154 PolarHBondContact O-N 3.21Å; G152-L154 VanDerWaalsContact C-N 3.3Å; G152-L154 PolarHBondContact O-N 2.91Å; L154-T158 WeakPolarHBondContact O-CB 3.45Å; L154-T158 PolarHBondContact O-N 2.69Å; L154-T158 PolarHBondContact O-OG1 2.91Å
155L90.5Very high91.8Very high42 Ų4262.5 Ų62.522%0.2236%0.358CS..Hα-helixtrans-63.4-47.5175.7-74.2174.3000111.3A54 I151 G152 T158 I159A54-L155 HydrophobicContact CB-CD1 3.95Å; I151-L155 HydrophobicContact CG2-CD1 3.85Å; I151-L155 HydrophobicContact CG2-CG 4.32Å; I151-L155 WeakPolarHBondContact O-CG 3.28Å; I151-L155 PolarHBondContact O-N 2.88Å; G152-L155 PolarHBondContact O-N 3.29Å; L155-T158 WeakPolarHBondContact O-CB 3.12Å; L155-T158 PolarHBondContact O-N 2.71Å; L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.48Å; L155-I159 PolarHBondContact O-N 2.71Å
156Y91.4Very high91.6Very high86 Ų8663.8 Ų63.834%0.33736%0.364SS..Hα-helixtrans-62.6-46.9179.8-169.1-94.3000111.8G152 T158 I159 F160G152-Y156 VanDerWaalsContact O-CB 3.23Å; G152-Y156 WeakPolarHBondContact O-CB 3.39Å; G152-Y156 PolarHBondContact O-N 3.02Å; Y156-T158 VanDerWaalsContact C-N 3.3Å; Y156-T158 PolarHBondContact O-N 3.46Å; Y156-I159 PolarHBondContact O-N 2.97Å; Y156-F160 AromaticContact CD1-CD2 3.95Å; Y156-F160 HydrophobicContact CD1-CD2 3.95Å; Y156-F160 HydrophobicContact CD1-CE2 4.34Å; Y156-F160 HydrophobicContact CD2-CD2 4.37Å; Y156-F160 HydrophobicContact CD2-CE2 4.29Å; Y156-F160 AromaticContact CE1-CD2 3.6Å; Y156-F160 HydrophobicContact CE1-CD2 3.6Å; Y156-F160 AromaticContact CE1-CE2 3.62Å; Y156-F160 HydrophobicContact CE1-CE2 3.62Å; Y156-F160 HydrophobicContact CE1-CG 4.38Å; Y156-F160 HydrophobicContact CE1-CZ 4.39Å; Y156-F160 HydrophobicContact CE2-CD2 4.05Å; Y156-F160 AromaticContact CE2-CE2 3.57Å; Y156-F160 HydrophobicContact CE2-CE2 3.57Å; Y156-F160 HydrophobicContact CG-CD2 4.33Å; Y156-F160 AromaticContact CZ-CD2 3.66Å; Y156-F160 AromaticContact CZ-CE2 3.18Å; Y156-F160 AromaticContact CZ-CZ 3.92Å; Y156-F160 PolarHBondContact O-N 2.66Å; Y156-F160 WeakPolarHBondContact OH-CE2 3.46Å; Y156-F160 WeakPolarHBondContact OH-CZ 3.28Å
157A93.4Very high91.2Very high61 Ų6164.3 Ų64.350%0.50436%0.358SS..Hα-helixtrans-59.2-40.317400000112.2S153 G161S153-A157 VanDerWaalsContact O-CB 3.22Å; S153-A157 WeakPolarHBondContact O-CB 3.33Å; S153-A157 PolarHBondContact O-N 2.72Å; A157-G161 PolarHBondContact O-N 3.27Å
158T90.2Very high91Very high73 Ų7368.6 Ų68.645%0.44837%0.372SS..Hα-helixtrans-65.5-42.1176.5-58.40000111.8L154 L155 Y156 N162L154-T158 WeakPolarHBondContact O-CB 3.45Å; L154-T158 PolarHBondContact O-N 2.69Å; L154-T158 PolarHBondContact O-OG1 2.91Å; L155-T158 WeakPolarHBondContact O-CB 3.12Å; L155-T158 PolarHBondContact O-N 2.71Å; Y156-T158 VanDerWaalsContact C-N 3.3Å; Y156-T158 PolarHBondContact O-N 3.46Å; T158-N162 WeakPolarHBondContact O-CB 3.28Å; T158-N162 PolarHBondContact O-N 2.73Å; T158-N162 PolarHBondContact O-ND2 3.3Å
159I90.8Very high90.7Very high26 Ų2675 Ų7513%0.13340%0.401CS..Hα-helixtrans-64.4-50.4177.6-66.6160.4000110.1L47 F51 L155 Y156 G161 N162 V163L47-I159 HydrophobicContact CB-CG1 4.37Å; F51-I159 HydrophobicContact CB-CD1 3.84Å; F51-I159 HydrophobicContact CD2-CD1 3.52Å; F51-I159 HydrophobicContact CE2-CD1 4.4Å; F51-I159 HydrophobicContact CG-CD1 3.93Å; L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.48Å; L155-I159 PolarHBondContact O-N 2.71Å; Y156-I159 PolarHBondContact O-N 2.97Å; I159-G161 PolarHBondContact O-N 3.29Å; I159-N162 PolarHBondContact O-N 2.83Å; I159-V163 HydrophobicContact CG2-CG2 4.4Å; I159-V163 WeakPolarHBondContact O-CB 3.45Å; I159-V163 VanDerWaalsContact O-CG2 3.25Å; I159-V163 WeakPolarHBondContact O-CG2 3.46Å; I159-V163 PolarHBondContact O-N 2.98Å
160F91.2Very high90.2Very high107 Ų10774.7 Ų74.747%0.46940%0.4SS..Hα-helixtrans-64.3-37.6179-93.6-95.1000113.1Y156 T164Y156-F160 AromaticContact CD1-CD2 3.95Å; Y156-F160 HydrophobicContact CD1-CD2 3.95Å; Y156-F160 HydrophobicContact CD1-CE2 4.34Å; Y156-F160 HydrophobicContact CD2-CD2 4.37Å; Y156-F160 HydrophobicContact CD2-CE2 4.29Å; Y156-F160 AromaticContact CE1-CD2 3.6Å; Y156-F160 HydrophobicContact CE1-CD2 3.6Å; Y156-F160 AromaticContact CE1-CE2 3.62Å; Y156-F160 HydrophobicContact CE1-CE2 3.62Å; Y156-F160 HydrophobicContact CE1-CG 4.38Å; Y156-F160 HydrophobicContact CE1-CZ 4.39Å; Y156-F160 HydrophobicContact CE2-CD2 4.05Å; Y156-F160 AromaticContact CE2-CE2 3.57Å; Y156-F160 HydrophobicContact CE2-CE2 3.57Å; Y156-F160 HydrophobicContact CG-CD2 4.33Å; Y156-F160 AromaticContact CZ-CD2 3.66Å; Y156-F160 AromaticContact CZ-CE2 3.18Å; Y156-F160 AromaticContact CZ-CZ 3.92Å; Y156-F160 PolarHBondContact O-N 2.66Å; Y156-F160 WeakPolarHBondContact OH-CE2 3.46Å; Y156-F160 WeakPolarHBondContact OH-CZ 3.28Å; F160-T164 WeakPolarHBondContact O-CB 3.08Å; F160-T164 PolarHBondContact O-N 2.82Å; F160-T164 PolarHBondContact O-OG1 3.2Å
161G92.2Very high89.9Confident36 Ų3675.1 Ų75.137%0.37140%0.396SS..Hα-helixtrans-59.2-53.4173.200000111.7A157 I159 V163 T164 T165A157-G161 PolarHBondContact O-N 3.27Å; I159-G161 PolarHBondContact O-N 3.29Å; G161-V163 PolarHBondContact O-N 2.84Å; G161-T164 WeakPolarHBondContact O-CB 3.33Å; G161-T164 PolarHBondContact O-N 2.87Å; G161-T164 VanDerWaalsContact O-N 3.14Å; G161-T165 PolarHBondContact O-N 2.81Å; G161-T165 PolarHBondContact O-OG1 2.83Å
162N89.4Confident89.8Confident58 Ų5874.1 Ų74.131%0.3140%0.399SS..Hα-helixtrans-62.7-41.8178.4-77.7-72000112.7L47 T158 I159 T164 T165 I166L47-N162 HydrophobicContact CD1-CB 3.43Å; L47-N162 VanDerWaalsContact CD1-CB 3.43Å; T158-N162 WeakPolarHBondContact O-CB 3.28Å; T158-N162 PolarHBondContact O-N 2.73Å; T158-N162 PolarHBondContact O-ND2 3.3Å; I159-N162 PolarHBondContact O-N 2.83Å; N162-T164 VanDerWaalsContact C-N 3.28Å; N162-T164 PolarHBondContact O-N 3.38Å; N162-T165 PolarHBondContact O-N 2.77Å; N162-I166 WeakPolarHBondContact O-CD1 3.3Å; N162-I166 VanDerWaalsContact O-CG1 3.22Å; N162-I166 WeakPolarHBondContact O-CG1 3.32Å; N162-I166 PolarHBondContact O-N 3.27Å
163V89.9Confident89.5Confident33 Ų3377.7 Ų77.720%0.242%0.417CS..Hα-helixtrans-55.6-46.1172.91670000110.5L44 I159 G161 I166 F167L44-V163 HydrophobicContact CD1-CG2 3.59Å; I159-V163 HydrophobicContact CG2-CG2 4.4Å; I159-V163 WeakPolarHBondContact O-CB 3.45Å; I159-V163 VanDerWaalsContact O-CG2 3.25Å; I159-V163 WeakPolarHBondContact O-CG2 3.46Å; I159-V163 PolarHBondContact O-N 2.98Å; G161-V163 PolarHBondContact O-N 2.84Å; V163-I166 PolarHBondContact O-N 2.95Å; V163-F167 HydrophobicContact CG1-CD2 3.72Å; V163-F167 HydrophobicContact CG1-CE2 3.72Å; V163-F167 VanDerWaalsContact O-CD2 3.27Å; V163-F167 WeakPolarHBondContact O-CD2 3.33Å; V163-F167 PolarHBondContact O-N 2.93Å
164T91.2Very high89.3Confident69 Ų6977.5 Ų77.542%0.42341%0.413SS..Hα-helixtrans-62.7-45.3178.4-55.70000111.4F160 G161 N162 I166 F167 Q168F160-T164 WeakPolarHBondContact O-CB 3.08Å; F160-T164 PolarHBondContact O-N 2.82Å; F160-T164 PolarHBondContact O-OG1 3.2Å; G161-T164 WeakPolarHBondContact O-CB 3.33Å; G161-T164 PolarHBondContact O-N 2.87Å; G161-T164 VanDerWaalsContact O-N 3.14Å; N162-T164 VanDerWaalsContact C-N 3.28Å; N162-T164 PolarHBondContact O-N 3.38Å; T164-I166 PolarHBondContact O-N 2.99Å; T164-F167 PolarHBondContact O-N 3.35Å; T164-Q168 WeakPolarHBondContact O-CB 3.5Å; T164-Q168 VanDerWaalsContact O-CG 3.31Å; T164-Q168 WeakPolarHBondContact O-CG 3.24Å; T164-Q168 PolarHBondContact O-N 2.99Å
165T89.6Confident89.2Confident76 Ų7677 Ų7747%0.46641%0.411SS..Hα-helixtrans-61.9-41.6176.2-56.60000112.2G161 N162 Q168 Q169G161-T165 PolarHBondContact O-N 2.81Å; G161-T165 PolarHBondContact O-OG1 2.83Å; N162-T165 PolarHBondContact O-N 2.77Å; T165-Q168 PolarHBondContact O-N 3.38Å; T165-Q169 WeakPolarHBondContact O-CB 3.35Å; T165-Q169 PolarHBondContact O-N 2.83Å
166I88.2Confident89.2Confident35 Ų3583.3 Ų83.318%0.17943%0.432CS..Hα-helixtrans-62.6-45.2176.6-67.8158.3000110.6G40 L44 N162 V163 T164 Q169 M170G40-I166 WeakPolarHBondContact O-CD1 3.12Å; L44-I166 HydrophobicContact CB-CD1 4.18Å; N162-I166 WeakPolarHBondContact O-CD1 3.3Å; N162-I166 VanDerWaalsContact O-CG1 3.22Å; N162-I166 WeakPolarHBondContact O-CG1 3.32Å; N162-I166 PolarHBondContact O-N 3.27Å; V163-I166 PolarHBondContact O-N 2.95Å; T164-I166 PolarHBondContact O-N 2.99Å; I166-Q169 PolarHBondContact O-N 3.22Å; I166-M170 WeakPolarHBondContact O-CB 3.49Å; I166-M170 PolarHBondContact O-N 3.41Å
167F86Confident89.1Confident111 Ų11180.7 Ų80.749%0.48742%0.422SS..Hα-helixtrans-62-44.8175.4-86.9-66.1000112.2V163 T164 Q169 M170 Y171V163-F167 HydrophobicContact CG1-CD2 3.72Å; V163-F167 HydrophobicContact CG1-CE2 3.72Å; V163-F167 VanDerWaalsContact O-CD2 3.27Å; V163-F167 WeakPolarHBondContact O-CD2 3.33Å; V163-F167 PolarHBondContact O-N 2.93Å; T164-F167 PolarHBondContact O-N 3.35Å; F167-Q169 PolarHBondContact O-N 3.2Å; F167-M170 HydrophobicContact CD1-CE 3.88Å; F167-M170 HydrophobicContact CE1-CE 4.12Å; F167-M170 PolarHBondContact O-N 3.43Å; F167-Y171 HydrophobicContact CD1-CD2 4.4Å; F167-Y171 AromaticContact CD1-CE2 3.94Å; F167-Y171 HydrophobicContact CD1-CE2 3.94Å; F167-Y171 VanDerWaalsContact O-CD2 3.3Å; F167-Y171 WeakPolarHBondContact O-CD2 3.46Å; F167-Y171 PolarHBondContact O-N 2.84Å
168Q88.4Confident89.1Confident129 Ų12981.9 Ų81.960%0.60342%0.417SS*.Hα-helixtrans-59.9-45.4176-74.7173.1-9.600111.7T164 T165 Y171 A172T164-Q168 WeakPolarHBondContact O-CB 3.5Å; T164-Q168 VanDerWaalsContact O-CG 3.31Å; T164-Q168 WeakPolarHBondContact O-CG 3.24Å; T164-Q168 PolarHBondContact O-N 2.99Å; T165-Q168 PolarHBondContact O-N 3.38Å; Q168-Y171 PolarHBondContact O-N 3.19Å; Q168-A172 WeakPolarHBondContact O-CA 3.48Å; Q168-A172 WeakPolarHBondContact O-CB 3.41Å; Q168-A172 PolarHBondContact O-N 3.07Å
169Q86.4Confident89.2Confident135 Ų13584.2 Ų84.263%0.63142%0.423SS*.Hα-helixtrans-64.3-42.6178.3-173.7179.21.800112T165 I166 F167 Y171 A172T165-Q169 WeakPolarHBondContact O-CB 3.35Å; T165-Q169 PolarHBondContact O-N 2.83Å; I166-Q169 PolarHBondContact O-N 3.22Å; F167-Q169 PolarHBondContact O-N 3.2Å; Q169-Y171 PolarHBondContact O-N 3.43Å; Q169-A172 WeakPolarHBondContact O-CB 3.38Å; Q169-A172 PolarHBondContact O-N 3.5Å
170M82.4Confident89.3Confident111 Ų11187 Ų8755%0.54744%0.436SS..Hα-helixtrans-62.6-41177.4-174.3-178.773.200112.1I166 F167I166-M170 WeakPolarHBondContact O-CB 3.49Å; I166-M170 PolarHBondContact O-N 3.41Å; F167-M170 HydrophobicContact CD1-CE 3.88Å; F167-M170 HydrophobicContact CE1-CE 4.12Å; F167-M170 PolarHBondContact O-N 3.43Å
171Y88Confident89.4Confident132 Ų13282.6 Ų82.652%0.51842%0.418SS..Hα-helixtrans-87.2-6.6179.3-73.2-63.2000114.5F167 Q168 Q169 N173 T174 N175F167-Y171 HydrophobicContact CD1-CD2 4.4Å; F167-Y171 AromaticContact CD1-CE2 3.94Å; F167-Y171 HydrophobicContact CD1-CE2 3.94Å; F167-Y171 VanDerWaalsContact O-CD2 3.3Å; F167-Y171 WeakPolarHBondContact O-CD2 3.46Å; F167-Y171 PolarHBondContact O-N 2.84Å; Q168-Y171 PolarHBondContact O-N 3.19Å; Q169-Y171 PolarHBondContact O-N 3.43Å; Y171-N173 PolarHBondContact O-N 3.06Å; Y171-T174 PolarHBondContact O-N 3.39Å; Y171-N175 WeakPolarHBondContact O-CB 3.36Å; Y171-N175 PolarHBondContact O-N 3.08Å
172A89.3Confident89.6Confident53 Ų5384.3 Ų84.344%0.43842%0.418SS..Hα-helixtrans-55-45-173.400000113.7Q168 Q169 R176Q168-A172 WeakPolarHBondContact O-CA 3.48Å; Q168-A172 WeakPolarHBondContact O-CB 3.41Å; Q168-A172 PolarHBondContact O-N 3.07Å; Q169-A172 WeakPolarHBondContact O-CB 3.38Å; Q169-A172 PolarHBondContact O-N 3.5Å; A172-R176 WeakPolarHBondContact O-CB 3.32Å; A172-R176 PolarHBondContact O-N 2.83Å
173N86.6Confident89.9Confident76 Ų7684.9 Ų84.941%0.40643%0.427SS..Hα-helixtrans-67.4-44.4-179.2-164.843.6000111.9Y171 R176 Y177 W209 R213Y171-N173 PolarHBondContact O-N 3.06Å; N173-R176 PolarHBondContact O-N 3.35Å; N173-Y177 PolarHBondContact O-N 2.92Å; N173-Y177 VanDerWaalsContact O-N 3.11Å; N173-W209 WeakPolarHBondContact O-CH2 3.17Å; N173-W209 WeakPolarHBondContact OD1-CH2 3.25Å; N173-R213 PolarHBondContact ND2-O 3.03Å
174T87.4Confident90.2Very high65 Ų6585 Ų8540%0.39943%0.428SS..Hα-helixtrans-66.7-39.8177.9-51.60000111.7Y171 Y177 H178Y171-T174 PolarHBondContact O-N 3.39Å; T174-Y177 WeakPolarHBondContact O-CB 3.48Å; T174-Y177 PolarHBondContact O-N 2.78Å; T174-H178 PolarHBondContact O-CD2 3.42Å; T174-H178 PolarHBondContact O-N 3.3Å
175N90.6Very high90.3Very high103 Ų10387.3 Ų87.355%0.55143%0.428SS*.Hα-helixtrans-65-43.2176.6-168.560.6000111.4Y171 Y177 H178 E179Y171-N175 WeakPolarHBondContact O-CB 3.36Å; Y171-N175 PolarHBondContact O-N 3.08Å; N175-Y177 VanDerWaalsContact C-N 3.3Å; N175-Y177 PolarHBondContact O-N 2.98Å; N175-H178 PolarHBondContact O-N 3.09Å; N175-H178 VanDerWaalsContact O-N 3.16Å; N175-E179 WeakPolarHBondContact O-CB 3.29Å; N175-E179 PolarHBondContact O-N 3.45Å
176R89.9Confident90.7Very high175 Ų17588.4 Ų88.466%0.6643%0.431SS*.Hα-helixtrans-58.4-39.9174.2-174.3-175.3-179.3109.65.3112.3A172 N173 M180A172-R176 WeakPolarHBondContact O-CB 3.32Å; A172-R176 PolarHBondContact O-N 2.83Å; N173-R176 PolarHBondContact O-N 3.35Å; R176-M180 WeakPolarHBondContact O-CB 3.21Å; R176-M180 PolarHBondContact O-N 2.69Å
177Y90.4Very high91.1Very high30 Ų3092.2 Ų92.212%0.11845%0.447CS..Hα-helixtrans-62.5-47.8173.3169.7-110.8000112.2N173 T174 N175 E179 M180 L181 I205 W209N173-Y177 PolarHBondContact O-N 2.92Å; N173-Y177 VanDerWaalsContact O-N 3.11Å; T174-Y177 WeakPolarHBondContact O-CB 3.48Å; T174-Y177 PolarHBondContact O-N 2.78Å; N175-Y177 VanDerWaalsContact C-N 3.3Å; N175-Y177 PolarHBondContact O-N 2.98Å; Y177-E179 PolarHBondContact O-N 3.34Å; Y177-M180 HydrophobicContact CD2-CE 3.89Å; Y177-M180 HydrophobicContact CE2-CE 4.31Å; Y177-M180 PolarHBondContact O-N 3.13Å; Y177-L181 HydrophobicContact CE1-CD1 3.98Å; Y177-L181 HydrophobicContact CE2-CD1 4.01Å; Y177-L181 WeakPolarHBondContact O-CB 3.35Å; Y177-L181 PolarHBondContact O-N 3.21Å; Y177-L181 VanDerWaalsContact OH-CD1 3.29Å; Y177-L181 WeakPolarHBondContact OH-CD1 3.35Å; Y177-I205 HydrophobicContact CE2-CG2 4.27Å; Y177-W209 HydrophobicContact CD2-CB 3.9Å; Y177-W209 AromaticContact CD2-CD1 3.92Å; Y177-W209 AromaticContact CD2-CD2 3.26Å; Y177-W209 HydrophobicContact CD2-CD2 3.26Å; Y177-W209 AromaticContact CD2-CE2 3.79Å; Y177-W209 AromaticContact CD2-CE3 3.49Å; Y177-W209 HydrophobicContact CD2-CE3 3.49Å; Y177-W209 VanDerWaalsContact CD2-CE3 3.49Å; Y177-W209 AromaticContact CD2-CG 3.42Å; Y177-W209 HydrophobicContact CD2-CG 3.42Å; Y177-W209 VanDerWaalsContact CD2-CG 3.42Å; Y177-W209 HydrophobicContact CD2-CZ2 4.47Å; Y177-W209 HydrophobicContact CD2-CZ3 4.16Å; Y177-W209 HydrophobicContact CE2-CB 3.47Å; Y177-W209 VanDerWaalsContact CE2-CB 3.47Å; Y177-W209 AromaticContact CE2-CD1 3.84Å; Y177-W209 AromaticContact CE2-CD2 3.82Å; Y177-W209 HydrophobicContact CE2-CD2 3.82Å; Y177-W209 HydrophobicContact CE2-CE3 4.29Å; Y177-W209 AromaticContact CE2-CG 3.4Å; Y177-W209 HydrophobicContact CE2-CG 3.4Å; Y177-W209 VanDerWaalsContact CE2-CG 3.4Å; Y177-W209 AromaticContact CG-CD2 3.68Å; Y177-W209 HydrophobicContact CG-CD2 3.68Å; Y177-W209 AromaticContact CG-CE2 3.67Å; Y177-W209 HydrophobicContact CG-CE3 4.05Å; Y177-W209 HydrophobicContact CG-CG 4.03Å; Y177-W209 HydrophobicContact CG-CH2 4.41Å; Y177-W209 HydrophobicContact CG-CZ2 4.08Å; Y177-W209 HydrophobicContact CG-CZ3 4.38Å; Y177-W209 AromaticContact CG-NE1 3.93Å; Y177-W209 AromaticContact CZ-CD1 3.98Å; Y177-W209 AromaticContact CZ-CG 3.99Å
178H92Very high91.6Very high87 Ų8787.4 Ų87.440%0.40343%0.426SS..Hα-helixtrans-64.8-38178-71.8-58.2000112.9T174 N175 L181 N182T174-H178 PolarHBondContact O-CD2 3.42Å; T174-H178 PolarHBondContact O-N 3.3Å; N175-H178 PolarHBondContact O-N 3.09Å; N175-H178 VanDerWaalsContact O-N 3.16Å; H178-L181 PolarHBondContact O-N 2.95Å; H178-N182 VanDerWaalsContact O-CB 3.25Å; H178-N182 WeakPolarHBondContact O-CB 3.2Å; H178-N182 PolarHBondContact O-N 2.84Å; H178-N182 PolarHBondContact O-ND2 3.43Å
179E94.1Very high91.9Very high121 Ų12189 Ų8957%0.56543%0.431SS*.Hα-helixtrans-62-47.1174.5-175.3178.1-16500111.6N175 Y177 S183N175-E179 WeakPolarHBondContact O-CB 3.29Å; N175-E179 PolarHBondContact O-N 3.45Å; Y177-E179 PolarHBondContact O-N 3.34Å; E179-S183 WeakPolarHBondContact O-CB 3.49Å; E179-S183 PolarHBondContact O-N 2.98Å; E179-S183 PolarHBondContact O-OG 3.47Å
180M92.9Very high92.4Very high84 Ų8488.6 Ų88.641%0.41443%0.433SS..Hα-helixtrans-61-47.5174.1179.8-169.771.400111.7R176 Y177 N182 S183 V184 I205R176-M180 WeakPolarHBondContact O-CB 3.21Å; R176-M180 PolarHBondContact O-N 2.69Å; Y177-M180 HydrophobicContact CD2-CE 3.89Å; Y177-M180 HydrophobicContact CE2-CE 4.31Å; Y177-M180 PolarHBondContact O-N 3.13Å; M180-N182 PolarHBondContact O-N 3.28Å; M180-S183 WeakPolarHBondContact O-CB 3.49Å; M180-S183 PolarHBondContact O-N 2.96Å; M180-V184 WeakPolarHBondContact O-CG2 3.42Å; M180-V184 PolarHBondContact O-N 2.92Å; M180-I205 HydrophobicContact CE-CG2 3.7Å
181L93.3Very high93.1Very high16 Ų1690.5 Ų90.58%0.08444%0.435CS..Hα-helixtrans-66.7-37.1-178-176.2149.9000111.9Y177 H178 R185 M202Y177-L181 HydrophobicContact CE1-CD1 3.98Å; Y177-L181 HydrophobicContact CE2-CD1 4.01Å; Y177-L181 WeakPolarHBondContact O-CB 3.35Å; Y177-L181 PolarHBondContact O-N 3.21Å; Y177-L181 VanDerWaalsContact OH-CD1 3.29Å; Y177-L181 WeakPolarHBondContact OH-CD1 3.35Å; H178-L181 PolarHBondContact O-N 2.95Å; L181-R185 WeakPolarHBondContact O-CB 3.27Å; L181-R185 PolarHBondContact O-N 2.9Å; L181-M202 HydrophobicContact CD1-CE 4.18Å; L181-M202 HydrophobicContact CD2-CE 3.59Å; L181-M202 HydrophobicContact CG-CE 3.64Å
182N94.7Very high93.5Very high71 Ų7192.4 Ų92.438%0.3845%0.449SS..Hα-helixtrans-66.1-45.2172-70.3-17.4000111H178 M180 V184 R185 D186H178-N182 VanDerWaalsContact O-CB 3.25Å; H178-N182 WeakPolarHBondContact O-CB 3.2Å; H178-N182 PolarHBondContact O-N 2.84Å; H178-N182 PolarHBondContact O-ND2 3.43Å; M180-N182 PolarHBondContact O-N 3.28Å; N182-V184 VanDerWaalsContact C-N 3.3Å; N182-V184 PolarHBondContact O-N 2.66Å; N182-R185 WeakPolarHBondContact O-CB 3.38Å; N182-R185 PolarHBondContact O-N 2.73Å; N182-R185 VanDerWaalsContact O-N 3.1Å; N182-R185 PolarHBondContact OD1-NH1 3.07Å; N182-D186 PolarHBondContact O-N 2.72Å
183S96.4Very high93.8Very high71 Ų7191.5 Ų91.550%0.49744%0.438SS..Hα-helixtrans-58.1-40.6176.3-58.10000112.3E179 M180 F187E179-S183 WeakPolarHBondContact O-CB 3.49Å; E179-S183 PolarHBondContact O-N 2.98Å; E179-S183 PolarHBondContact O-OG 3.47Å; M180-S183 WeakPolarHBondContact O-CB 3.49Å; M180-S183 PolarHBondContact O-N 2.96Å; S183-F187 WeakPolarHBondContact O-CB 3.46Å; S183-F187 PolarHBondContact O-N 3.41Å
184V96.2Very high94.2Very high35 Ų3592.4 Ų92.421%0.21245%0.447CS..Hα-helixtrans-68.3-42.6174.1173.60000111.6M180 N182 D186 F187 L188 V201 M202 I205M180-V184 WeakPolarHBondContact O-CG2 3.42Å; M180-V184 PolarHBondContact O-N 2.92Å; N182-V184 VanDerWaalsContact C-N 3.3Å; N182-V184 PolarHBondContact O-N 2.66Å; V184-D186 VanDerWaalsContact C-N 3.31Å; V184-D186 PolarHBondContact O-N 3.49Å; V184-F187 WeakPolarHBondContact O-CB 3.42Å; V184-F187 PolarHBondContact O-N 2.9Å; V184-L188 HydrophobicContact CG1-CD1 3.78Å; V184-L188 HydrophobicContact CG1-CG 4.18Å; V184-L188 VanDerWaalsContact O-CG 3.26Å; V184-L188 WeakPolarHBondContact O-CG 3.29Å; V184-L188 PolarHBondContact O-N 3.42Å; V184-V201 HydrophobicContact CG1-CG1 4.06Å; V184-M202 HydrophobicContact CG1-SD 4.25Å; V184-I205 HydrophobicContact CB-CD1 4.13Å; V184-I205 HydrophobicContact CG1-CD1 3.69Å; V184-I205 HydrophobicContact CG2-CD1 3.92Å
185R94.2Very high94.4Very high117 Ų11797.3 Ų97.344%0.44246%0.463SS..Hα-helixtrans-59.6-43.2175.8-171.4-172.7-64.4110.7-4.1111.7L181 N182 L188 K189L181-R185 WeakPolarHBondContact O-CB 3.27Å; L181-R185 PolarHBondContact O-N 2.9Å; N182-R185 WeakPolarHBondContact O-CB 3.38Å; N182-R185 PolarHBondContact O-N 2.73Å; N182-R185 VanDerWaalsContact O-N 3.1Å; N182-R185 PolarHBondContact OD1-NH1 3.07Å; R185-L188 PolarHBondContact O-N 3.27Å; R185-K189 VanDerWaalsContact O-CB 3.32Å; R185-K189 WeakPolarHBondContact O-CB 3.36Å; R185-K189 PolarHBondContact O-N 3.35Å
186D96.3Very high94.5Very high99 Ų9995 Ų9553%0.52946%0.463SS..Hα-helixtrans-68.3-38.4179.2-71.7-22.6000111.5N182 V184 K189 L190N182-D186 PolarHBondContact O-N 2.72Å; V184-D186 VanDerWaalsContact C-N 3.31Å; V184-D186 PolarHBondContact O-N 3.49Å; D186-K189 PolarHBondContact O-N 3.41Å; D186-L190 VanDerWaalsContact O-CB 3.22Å; D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 PolarHBondContact O-N 3.32Å
187F97.3Very high94.5Very high115 Ų11590.9 Ų90.950%0.50445%0.454SS..Hα-helixtrans-58.3-53.5169.8175.3-88.4000111.9S183 V184 K189 L190 Y191S183-F187 WeakPolarHBondContact O-CB 3.46Å; S183-F187 PolarHBondContact O-N 3.41Å; V184-F187 WeakPolarHBondContact O-CB 3.42Å; V184-F187 PolarHBondContact O-N 2.9Å; F187-K189 PolarHBondContact O-N 2.91Å; F187-L190 PolarHBondContact O-N 3.1Å; F187-L190 VanDerWaalsContact O-N 3.17Å; F187-Y191 HydrophobicContact CD1-CD2 4.35Å; F187-Y191 AromaticContact CD2-CD2 3.67Å; F187-Y191 HydrophobicContact CD2-CD2 3.67Å; F187-Y191 AromaticContact CD2-CE2 3.47Å; F187-Y191 HydrophobicContact CD2-CE2 3.47Å; F187-Y191 VanDerWaalsContact CD2-CE2 3.47Å; F187-Y191 HydrophobicContact CE1-CD2 4.23Å; F187-Y191 AromaticContact CE2-CD2 3.54Å; F187-Y191 HydrophobicContact CE2-CD2 3.54Å; F187-Y191 AromaticContact CE2-CE2 3.29Å; F187-Y191 HydrophobicContact CE2-CE2 3.29Å; F187-Y191 HydrophobicContact CG-CD2 4.07Å; F187-Y191 HydrophobicContact CG-CE2 4.31Å; F187-Y191 AromaticContact CZ-CD2 3.83Å; F187-Y191 HydrophobicContact CZ-CD2 3.83Å; F187-Y191 AromaticContact CZ-CE2 4Å; F187-Y191 HydrophobicContact CZ-CE2 4Å; F187-Y191 WeakPolarHBondContact O-CD2 3.42Å; F187-Y191 PolarHBondContact O-N 2.99Å; F187-Y191 VanDerWaalsContact O-N 3.07Å
188L95.9Very high94.6Very high10 Ų1090.9 Ų90.95%0.05246%0.459CS..Hα-helixtrans-58.9-37.3-179.3-67.9168.5000111.8V184 R185 Q192 V193 V201 M202V184-L188 HydrophobicContact CG1-CD1 3.78Å; V184-L188 HydrophobicContact CG1-CG 4.18Å; V184-L188 VanDerWaalsContact O-CG 3.26Å; V184-L188 WeakPolarHBondContact O-CG 3.29Å; V184-L188 PolarHBondContact O-N 3.42Å; R185-L188 PolarHBondContact O-N 3.27Å; L188-Q192 PolarHBondContact O-N 3.14Å; L188-V193 HydrophobicContact CB-CB 4.48Å; L188-V193 HydrophobicContact CD2-CB 3.99Å; L188-V193 HydrophobicContact CD2-CG1 3.98Å; L188-V193 HydrophobicContact CD2-CG2 3.9Å; L188-V193 PolarHBondContact O-N 3.02Å; L188-V201 HydrophobicContact CD1-CB 4.35Å; L188-V201 HydrophobicContact CD1-CG1 4.1Å; L188-V201 HydrophobicContact CD2-CG1 4.46Å; L188-M202 HydrophobicContact CD1-CG 4.14Å; L188-M202 HydrophobicContact CD1-SD 4.08Å
189K95.1Very high94.6Very high162 Ų16292.5 Ų92.570%0.70447%0.466SS*.Hα-helixtrans-71.5-42.8176.1-173.7-179.8178-173.40112.8R185 D186 F187 Q192R185-K189 VanDerWaalsContact O-CB 3.32Å; R185-K189 WeakPolarHBondContact O-CB 3.36Å; R185-K189 PolarHBondContact O-N 3.35Å; D186-K189 PolarHBondContact O-N 3.41Å; F187-K189 PolarHBondContact O-N 2.91Å; K189-Q192 PolarHBondContact O-N 3.19Å
190L97Very high94.3Very high127 Ų12791.9 Ų91.967%0.66546%0.459SS*.Hα-helixtrans-61.4-44.4179.8178.463.6000111.7D186 F187 Q192D186-L190 VanDerWaalsContact O-CB 3.22Å; D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 PolarHBondContact O-N 3.32Å; F187-L190 PolarHBondContact O-N 3.1Å; F187-L190 VanDerWaalsContact O-N 3.17Å; L190-Q192 VanDerWaalsContact C-N 3.29Å; L190-Q192 PolarHBondContact O-N 3.39Å
191Y97Very high94.2Very high151 Ų15190.1 Ų90.159%0.59245%0.453SS*.THydrogen-bonded Turntrans-86.36179.5-68.7-78000114.1F187 V193F187-Y191 HydrophobicContact CD1-CD2 4.35Å; F187-Y191 AromaticContact CD2-CD2 3.67Å; F187-Y191 HydrophobicContact CD2-CD2 3.67Å; F187-Y191 AromaticContact CD2-CE2 3.47Å; F187-Y191 HydrophobicContact CD2-CE2 3.47Å; F187-Y191 VanDerWaalsContact CD2-CE2 3.47Å; F187-Y191 HydrophobicContact CE1-CD2 4.23Å; F187-Y191 AromaticContact CE2-CD2 3.54Å; F187-Y191 HydrophobicContact CE2-CD2 3.54Å; F187-Y191 AromaticContact CE2-CE2 3.29Å; F187-Y191 HydrophobicContact CE2-CE2 3.29Å; F187-Y191 HydrophobicContact CG-CD2 4.07Å; F187-Y191 HydrophobicContact CG-CE2 4.31Å; F187-Y191 AromaticContact CZ-CD2 3.83Å; F187-Y191 HydrophobicContact CZ-CD2 3.83Å; F187-Y191 AromaticContact CZ-CE2 4Å; F187-Y191 HydrophobicContact CZ-CE2 4Å; F187-Y191 WeakPolarHBondContact O-CD2 3.42Å; F187-Y191 PolarHBondContact O-N 2.99Å; F187-Y191 VanDerWaalsContact O-N 3.07Å; Y191-V193 VanDerWaalsContact C-N 3.27Å; Y191-V193 PolarHBondContact O-N 3.05Å
192Q96.1Very high94.2Very high173 Ų17391 Ų9181%0.80846%0.457SS*.THydrogen-bonded Turntrans51.942.9178.9-59179.950.800113.3L188 K189 L190L188-Q192 PolarHBondContact O-N 3.14Å; K189-Q192 PolarHBondContact O-N 3.19Å; L190-Q192 VanDerWaalsContact C-N 3.29Å; L190-Q192 PolarHBondContact O-N 3.39Å
193V95.8Very high93.9Very high34 Ų3492.9 Ų92.921%0.20647%0.467CS..  trans-62.7135.5-177.5179.20000110.3L188 Y191 K195 L197L188-V193 HydrophobicContact CB-CB 4.48Å; L188-V193 HydrophobicContact CD2-CB 3.99Å; L188-V193 HydrophobicContact CD2-CG1 3.98Å; L188-V193 HydrophobicContact CD2-CG2 3.9Å; L188-V193 PolarHBondContact O-N 3.02Å; Y191-V193 VanDerWaalsContact C-N 3.27Å; Y191-V193 PolarHBondContact O-N 3.05Å; V193-K195 PolarHBondContact O-N 3.22Å; V193-L197 HydrophobicContact CG1-CB 4.04Å; V193-L197 HydrophobicContact CG1-CD2 3.88Å; V193-L197 HydrophobicContact CG1-CG 3.95Å
194P96.4Very high93.4Very high94 Ų9494.7 Ų94.761%0.6146%0.463SS*.  trans-54.8138179.6-27.935.4000112.7G196 L197 S198P194-G196 VanDerWaalsContact C-N 3.34Å; P194-G196 PolarHBondContact O-N 3.11Å; P194-L197 PolarHBondContact O-N 3.41Å; P194-S198 PolarHBondContact O-N 3.49Å
195K91.8Very high93.1Very high168 Ų16894.1 Ų94.173%0.7346%0.459SS*.Hα-helixtrans-49.7-48.1-172.2-68.3-171.7177-174.30113.8V193 L197 S198 E199V193-K195 PolarHBondContact O-N 3.22Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.84Å; K195-S198 CarbonylContact O-C 3.54Å; K195-S198 WeakPolarHBondContact O-CB 3.31Å; K195-S198 PolarHBondContact O-N 3.11Å; K195-S198 VanDerWaalsContact O-N 3.1Å; K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 2.88Å
196G91.6Very high92.9Very high54 Ų5490.3 Ų90.356%0.55745%0.453SS*.Hα-helixtrans-64.6-28.6-179.700000114.7P194 R200P194-G196 VanDerWaalsContact C-N 3.34Å; P194-G196 PolarHBondContact O-N 3.11Å; G196-R200 WeakPolarHBondContact O-CB 3.44Å; G196-R200 PolarHBondContact O-N 3.45Å
197L90.6Very high92.3Very high90 Ų9087 Ų8747%0.47144%0.437SS..Hα-helixtrans-78.9-38.5171.3179.859.6000110.9V193 P194 K195 R200 V201V193-L197 HydrophobicContact CG1-CB 4.04Å; V193-L197 HydrophobicContact CG1-CD2 3.88Å; V193-L197 HydrophobicContact CG1-CG 3.95Å; P194-L197 PolarHBondContact O-N 3.41Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.84Å; L197-R200 PolarHBondContact O-N 3.34Å; L197-V201 HydrophobicContact CD1-CG2 4.25Å; L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.06Å
198S92.6Very high91.7Very high30 Ų3083.8 Ų83.821%0.2143%0.427CS..Hα-helixtrans-59.8-47.4175.3-175.30000112P194 K195 V201 M202P194-S198 PolarHBondContact O-N 3.49Å; K195-S198 CarbonylContact O-C 3.54Å; K195-S198 WeakPolarHBondContact O-CB 3.31Å; K195-S198 PolarHBondContact O-N 3.11Å; K195-S198 VanDerWaalsContact O-N 3.1Å; S198-V201 PolarHBondContact O-N 3.3Å; S198-M202 VanDerWaalsContact O-CG 3.23Å; S198-M202 WeakPolarHBondContact O-CG 3.49Å; S198-M202 PolarHBondContact O-N 2.89Å; S198-M202 VanDerWaalsContact O-N 3.09Å
199E91.1Very high91.3Very high120 Ų12086.1 Ų86.156%0.56144%0.435SS*.Hα-helixtrans-61-49.9177.2-74.2163.2-168.800110.6K195 V201 M202 D203K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 2.88Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.28Å; E199-M202 PolarHBondContact O-N 3.23Å; E199-D203 PolarHBondContact O-N 2.58Å
200R88.6Confident90.8Very high109 Ų10982.5 Ų82.541%0.41143%0.43SS..Hα-helixtrans-58-39.2177.2-177.5171.3165.4-141.4-15.9113.5G196 L197 Y204 D271G196-R200 WeakPolarHBondContact O-CB 3.44Å; G196-R200 PolarHBondContact O-N 3.45Å; L197-R200 PolarHBondContact O-N 3.34Å; R200-Y204 WeakPolarHBondContact O-CB 3.45Å; R200-Y204 PolarHBondContact O-N 3.09Å; R200-D271 IonicContact CZ-OD1 2.72Å; R200-D271 IonicContact NE-OD1 2.79Å; R200-D271 PolarHBondContact NE-OD1 2.89Å; R200-D271 IonicContact NH2-OD1 3.52Å; R200-D271 PolarHBondContact NH2-OD1 3.33Å
201V91.3Very high90Very high46 Ų4682.9 Ų82.928%0.27943%0.43SS..Hα-helixtrans-66.6-40.8175.1168.90000111.6V184 L188 L197 S198 E199 I205V184-V201 HydrophobicContact CG1-CG1 4.06Å; L188-V201 HydrophobicContact CD1-CB 4.35Å; L188-V201 HydrophobicContact CD1-CG1 4.1Å; L188-V201 HydrophobicContact CD2-CG1 4.46Å; L197-V201 HydrophobicContact CD1-CG2 4.25Å; L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.06Å; S198-V201 PolarHBondContact O-N 3.3Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.28Å; V201-I205 HydrophobicContact CG1-CD1 4.04Å; V201-I205 WeakPolarHBondContact O-CG1 3.47Å; V201-I205 PolarHBondContact O-N 3.42Å; V201-I205 VanDerWaalsContact O-N 3.1Å
202M92Very high89.3Confident35 Ų3577.7 Ų77.717%0.17242%0.416CS..Hα-helixtrans-67.8-41.4178.5-66.3-67-64.200111.8L181 V184 L188 S198 E199 I205 A206L181-M202 HydrophobicContact CD1-CE 4.18Å; L181-M202 HydrophobicContact CD2-CE 3.59Å; L181-M202 HydrophobicContact CG-CE 3.64Å; V184-M202 HydrophobicContact CG1-SD 4.25Å; L188-M202 HydrophobicContact CD1-CG 4.14Å; L188-M202 HydrophobicContact CD1-SD 4.08Å; S198-M202 VanDerWaalsContact O-CG 3.23Å; S198-M202 WeakPolarHBondContact O-CG 3.49Å; S198-M202 PolarHBondContact O-N 2.89Å; S198-M202 VanDerWaalsContact O-N 3.09Å; E199-M202 PolarHBondContact O-N 3.23Å; M202-I205 PolarHBondContact O-N 2.97Å; M202-A206 WeakPolarHBondContact O-CB 3.43Å; M202-A206 PolarHBondContact O-N 2.95Å
203D89.2Confident88.7Confident110 Ų11078.6 Ų78.659%0.58841%0.412SS*.Hα-helixtrans-66.7-39.1176.7-71.2-18.5000111.8E199 A206 S207E199-D203 PolarHBondContact O-N 2.58Å; D203-A206 PolarHBondContact O-N 2.95Å; D203-S207 WeakPolarHBondContact O-CB 3.19Å; D203-S207 PolarHBondContact O-N 3.35Å; D203-S207 PolarHBondContact O-OG 3.49Å
204Y86.3Confident88.1Confident109 Ų10978.3 Ų78.343%0.42742%0.416SS..Hα-helixtrans-59.2-45.4171.8171.7-98.9000111.9R200 S207 T208R200-Y204 WeakPolarHBondContact O-CB 3.45Å; R200-Y204 PolarHBondContact O-N 3.09Å; Y204-S207 WeakPolarHBondContact CA-OG 3.15Å; Y204-S207 PolarHBondContact O-OG 2.9Å; Y204-S207 VanDerWaalsContact O-OG 3.07Å; Y204-T208 WeakPolarHBondContact O-CB 3.44Å; Y204-T208 PolarHBondContact O-N 3.48Å; Y204-T208 PolarHBondContact O-OG1 3.45Å
205I89.6Confident87.7Confident24 Ų2478.8 Ų78.812%0.12341%0.413CS..Hα-helixtrans-66.4-43.3178.7-69.9166.7000111.2Y177 M180 V184 V201 M202 T208 W209Y177-I205 HydrophobicContact CE2-CG2 4.27Å; M180-I205 HydrophobicContact CE-CG2 3.7Å; V184-I205 HydrophobicContact CB-CD1 4.13Å; V184-I205 HydrophobicContact CG1-CD1 3.69Å; V184-I205 HydrophobicContact CG2-CD1 3.92Å; V201-I205 HydrophobicContact CG1-CD1 4.04Å; V201-I205 WeakPolarHBondContact O-CG1 3.47Å; V201-I205 PolarHBondContact O-N 3.42Å; V201-I205 VanDerWaalsContact O-N 3.1Å; M202-I205 PolarHBondContact O-N 2.97Å; I205-T208 PolarHBondContact O-N 2.82Å; I205-W209 WeakPolarHBondContact O-CB 3.19Å; I205-W209 PolarHBondContact O-N 3.07Å
206A88.9Confident87.5Confident37 Ų3774 Ų7431%0.30640%0.395SS..Hα-helixtrans-66.3-42-179.800000112.5M202 D203 W209 S210M202-A206 WeakPolarHBondContact O-CB 3.43Å; M202-A206 PolarHBondContact O-N 2.95Å; D203-A206 PolarHBondContact O-N 2.95Å; A206-W209 PolarHBondContact O-N 3.21Å; A206-S210 PolarHBondContact O-N 3.11Å
207S84Confident87.3Confident28 Ų2876.1 Ų76.120%0.19640%0.397CS..Hα-helixtrans-68.8-41.6175.155.50000112.5D203 Y204 W209 S210 M211D203-S207 WeakPolarHBondContact O-CB 3.19Å; D203-S207 PolarHBondContact O-N 3.35Å; D203-S207 PolarHBondContact O-OG 3.49Å; Y204-S207 WeakPolarHBondContact CA-OG 3.15Å; Y204-S207 PolarHBondContact O-OG 2.9Å; Y204-S207 VanDerWaalsContact O-OG 3.07Å; S207-W209 VanDerWaalsContact C-N 3.31Å; S207-W209 PolarHBondContact O-N 3.26Å; S207-S210 PolarHBondContact O-N 3.43Å; S207-S210 PolarHBondContact O-OG 3.13Å; S207-M211 PolarHBondContact O-N 3.38Å; S207-M211 VanDerWaalsContact O-N 3.08Å
208T84.9Confident87.1Confident49 Ų4977.8 Ų77.830%0.30140%0.403SS..Hα-helixtrans-60.9-41.1173.8-59.80000111.2Y204 I205 S212Y204-T208 WeakPolarHBondContact O-CB 3.44Å; Y204-T208 PolarHBondContact O-N 3.48Å; Y204-T208 PolarHBondContact O-OG1 3.45Å; I205-T208 PolarHBondContact O-N 2.82Å; T208-S212 VanDerWaalsContact O-CB 3.29Å; T208-S212 WeakPolarHBondContact O-CB 3.18Å; T208-S212 PolarHBondContact O-N 3.11Å; T208-S212 PolarHBondContact O-OG 3.18Å
209W87.3Confident87Confident58 Ų5882.2 Ų82.222%0.2242%0.418CS..Hα-helixtrans-66.5-42175.8-178.8-95.8000112.6N173 Y177 I205 A206 S207 M211 R213 G214N173-W209 WeakPolarHBondContact O-CH2 3.17Å; N173-W209 WeakPolarHBondContact OD1-CH2 3.25Å; Y177-W209 HydrophobicContact CD2-CB 3.9Å; Y177-W209 AromaticContact CD2-CD1 3.92Å; Y177-W209 AromaticContact CD2-CD2 3.26Å; Y177-W209 HydrophobicContact CD2-CD2 3.26Å; Y177-W209 AromaticContact CD2-CE2 3.79Å; Y177-W209 AromaticContact CD2-CE3 3.49Å; Y177-W209 HydrophobicContact CD2-CE3 3.49Å; Y177-W209 VanDerWaalsContact CD2-CE3 3.49Å; Y177-W209 AromaticContact CD2-CG 3.42Å; Y177-W209 HydrophobicContact CD2-CG 3.42Å; Y177-W209 VanDerWaalsContact CD2-CG 3.42Å; Y177-W209 HydrophobicContact CD2-CZ2 4.47Å; Y177-W209 HydrophobicContact CD2-CZ3 4.16Å; Y177-W209 HydrophobicContact CE2-CB 3.47Å; Y177-W209 VanDerWaalsContact CE2-CB 3.47Å; Y177-W209 AromaticContact CE2-CD1 3.84Å; Y177-W209 AromaticContact CE2-CD2 3.82Å; Y177-W209 HydrophobicContact CE2-CD2 3.82Å; Y177-W209 HydrophobicContact CE2-CE3 4.29Å; Y177-W209 AromaticContact CE2-CG 3.4Å; Y177-W209 HydrophobicContact CE2-CG 3.4Å; Y177-W209 VanDerWaalsContact CE2-CG 3.4Å; Y177-W209 AromaticContact CG-CD2 3.68Å; Y177-W209 HydrophobicContact CG-CD2 3.68Å; Y177-W209 AromaticContact CG-CE2 3.67Å; Y177-W209 HydrophobicContact CG-CE3 4.05Å; Y177-W209 HydrophobicContact CG-CG 4.03Å; Y177-W209 HydrophobicContact CG-CH2 4.41Å; Y177-W209 HydrophobicContact CG-CZ2 4.08Å; Y177-W209 HydrophobicContact CG-CZ3 4.38Å; Y177-W209 AromaticContact CG-NE1 3.93Å; Y177-W209 AromaticContact CZ-CD1 3.98Å; Y177-W209 AromaticContact CZ-CG 3.99Å; I205-W209 WeakPolarHBondContact O-CB 3.19Å; I205-W209 PolarHBondContact O-N 3.07Å; A206-W209 PolarHBondContact O-N 3.21Å; S207-W209 VanDerWaalsContact C-N 3.31Å; S207-W209 PolarHBondContact O-N 3.26Å; W209-M211 VanDerWaalsContact C-N 3.29Å; W209-M211 PolarHBondContact O-N 2.88Å; W209-R213 VanDerWaalsContact O-CA 3.25Å; W209-R213 WeakPolarHBondContact O-CA 3.3Å; W209-R213 PolarHBondContact O-N 3.31Å; W209-G214 VanDerWaalsContact CE3-CA 3.48Å
210S84.1Confident87.1Confident86 Ų8680 Ų8060%0.60141%0.412SS*.Hα-helixtrans-64.7-33.7179.674.80000112.6A206 S207A206-S210 PolarHBondContact O-N 3.11Å; S207-S210 PolarHBondContact O-N 3.43Å; S207-S210 PolarHBondContact O-OG 3.13Å
211M80.3Confident87.2Confident135 Ų13576.2 Ų76.267%0.66540%0.4SS*.Hα-helixtrans-77-52.9175.9-168.86675.600112.5S207 W209S207-M211 PolarHBondContact O-N 3.38Å; S207-M211 VanDerWaalsContact O-N 3.08Å; W209-M211 VanDerWaalsContact C-N 3.29Å; W209-M211 PolarHBondContact O-N 2.88Å
212S83.2Confident87.2Confident42 Ų4280 Ų8029%0.29442%0.415SS..Hα-helixtrans-77.7-18.1-175.463.70000114.3T208 G214 I215T208-S212 VanDerWaalsContact O-CB 3.29Å; T208-S212 WeakPolarHBondContact O-CB 3.18Å; T208-S212 PolarHBondContact O-N 3.11Å; T208-S212 PolarHBondContact O-OG 3.18Å; S212-G214 PolarHBondContact O-N 3.03Å; S212-G214 VanDerWaalsContact O-N 3.13Å; S212-G214 PolarHBondContact OG-N 2.91Å; S212-I215 WeakPolarHBondContact O-CB 3.49Å; S212-I215 WeakPolarHBondContact O-CG1 3.11Å; S212-I215 PolarHBondContact O-N 3.37Å
213R84.1Confident87.3Confident192 Ų19285.1 Ų85.173%0.72544%0.442SS*.THydrogen-bonded Turntrans54.722-170.4-56.1-176.7176.7-171.8-1.7114.2N173 W209N173-R213 PolarHBondContact ND2-O 3.03Å; W209-R213 VanDerWaalsContact O-CA 3.25Å; W209-R213 WeakPolarHBondContact O-CA 3.3Å; W209-R213 PolarHBondContact O-N 3.31Å
214G82.4Confident87.6Confident29 Ų2981.1 Ų81.130%0.29942%0.422SS..THydrogen-bonded Turntrans83.510.3-175.200000115.3W209 S212 D216W209-G214 VanDerWaalsContact CE3-CA 3.48Å; S212-G214 PolarHBondContact O-N 3.03Å; S212-G214 VanDerWaalsContact O-N 3.13Å; S212-G214 PolarHBondContact OG-N 2.91Å; G214-D216 PolarHBondContact O-N 3.25Å
215I88.3Confident88Confident104 Ų10479.6 Ų79.653%0.53343%0.425SS..  trans-82.4114.7177.2-56.7173.7000109.4S212 T217 V220S212-I215 WeakPolarHBondContact O-CB 3.49Å; S212-I215 WeakPolarHBondContact O-CG1 3.11Å; S212-I215 PolarHBondContact O-N 3.37Å; I215-T217 PolarHBondContact O-N 3.32Å; I215-V220 HydrophobicContact CG2-CG2 3.84Å
216D86.6Confident88.2Confident66 Ų6686.4 Ų86.435%0.35345%0.454SS..  trans-77.7103.5169.7-174.5-41.2000109.5G214 E218 K219 V220G214-D216 PolarHBondContact O-N 3.25Å; D216-E218 VanDerWaalsContact C-N 3.32Å; D216-E218 PolarHBondContact O-N 2.82Å; D216-E218 PolarHBondContact OD1-N 3.11Å; D216-K219 HydrophobicContact CB-CB 4.1Å; D216-K219 HydrophobicContact CB-CD 4.16Å; D216-K219 HydrophobicContact CB-CG 4.26Å; D216-K219 PolarHBondContact O-N 3.18Å; D216-K219 PolarHBondContact OD1-N 2.95Å; D216-K219 WeakPolarHBondContact OD2-CD 3.45Å; D216-K219 IonicContact OD2-NZ 3.79Å; D216-K219 PolarHBondContact OD2-NZ 3.21Å; D216-V220 WeakPolarHBondContact O-CG2 3.23Å; D216-V220 PolarHBondContact O-N 3.1Å; D216-V220 VanDerWaalsContact O-N 3.09Å
217T87.9Confident88.4Confident99 Ų9989.6 Ų89.661%0.60747%0.466SS*.Hα-helixtrans-63-36.8-175.448.20000112.6I215 V220 L221I215-T217 PolarHBondContact O-N 3.32Å; T217-V220 PolarHBondContact O-N 3.47Å; T217-L221 WeakPolarHBondContact O-CB 3.3Å; T217-L221 VanDerWaalsContact O-CG 3.24Å; T217-L221 WeakPolarHBondContact O-CG 3.49Å; T217-L221 PolarHBondContact O-N 3.34Å
218E87.1Confident89Confident126 Ų12693.3 Ų93.359%0.58948%0.482SS*.Hα-helixtrans-68.1-46.3-179.9-163.3-171.3158.100110.8D216 V220 L221 Q222D216-E218 VanDerWaalsContact C-N 3.32Å; D216-E218 PolarHBondContact O-N 2.82Å; D216-E218 PolarHBondContact OD1-N 3.11Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 2.95Å; E218-L221 PolarHBondContact O-N 3.49Å; E218-Q222 WeakPolarHBondContact O-CG 3.37Å; E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 PolarHBondContact OE1-NE2 3.34Å; E218-Q222 VanDerWaalsContact OE1-NE2 3.07Å
219K89.8Confident89.4Confident122 Ų12294 Ų9453%0.5348%0.479SS..Hα-helixtrans-60.1-40.3175.4-72.2-176.5-178.565.40112.2D216 Q222 I223D216-K219 HydrophobicContact CB-CB 4.1Å; D216-K219 HydrophobicContact CB-CD 4.16Å; D216-K219 HydrophobicContact CB-CG 4.26Å; D216-K219 PolarHBondContact O-N 3.18Å; D216-K219 PolarHBondContact OD1-N 2.95Å; D216-K219 WeakPolarHBondContact OD2-CD 3.45Å; D216-K219 IonicContact OD2-NZ 3.79Å; D216-K219 PolarHBondContact OD2-NZ 3.21Å; K219-Q222 PolarHBondContact O-N 3.26Å; K219-I223 WeakPolarHBondContact O-CG1 3.46Å; K219-I223 PolarHBondContact O-N 2.95Å
220V93.1Very high89.8Confident73 Ų7391.7 Ų91.744%0.44247%0.472SS..Hα-helixtrans-63.3-44.6175.9171.80000111.2I215 D216 T217 E218 Q222 I223I215-V220 HydrophobicContact CG2-CG2 3.84Å; D216-V220 WeakPolarHBondContact O-CG2 3.23Å; D216-V220 PolarHBondContact O-N 3.1Å; D216-V220 VanDerWaalsContact O-N 3.09Å; T217-V220 PolarHBondContact O-N 3.47Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 2.95Å; V220-Q222 VanDerWaalsContact C-N 3.31Å; V220-Q222 PolarHBondContact O-N 3.34Å; V220-I223 WeakPolarHBondContact O-CB 3.38Å; V220-I223 PolarHBondContact O-N 3.43Å
221L90.9Very high90.4Very high30 Ų3090.8 Ų90.816%0.15746%0.461CS..Hα-helixtrans-64.3-33.9177.4-70169.6000112.4T217 E218 I223 C224 R229 I232T217-L221 WeakPolarHBondContact O-CB 3.3Å; T217-L221 VanDerWaalsContact O-CG 3.24Å; T217-L221 WeakPolarHBondContact O-CG 3.49Å; T217-L221 PolarHBondContact O-N 3.34Å; E218-L221 PolarHBondContact O-N 3.49Å; L221-I223 VanDerWaalsContact C-N 3.3Å; L221-I223 PolarHBondContact O-N 3.08Å; L221-C224 PolarHBondContact O-N 3.33Å; L221-R229 HydrophobicContact CB-CG 4.09Å; L221-R229 HydrophobicContact CD2-CG 4.08Å; L221-R229 VanDerWaalsContact O-CD 3.31Å; L221-R229 WeakPolarHBondContact O-CD 3.3Å; L221-I232 HydrophobicContact CD2-CB 4.11Å; L221-I232 HydrophobicContact CD2-CG2 3.63Å
222Q91.6Very high91.1Very high125 Ų12587.5 Ų87.558%0.58445%0.445SS*.Hα-helixtrans-66-27.2176-72.2175.113.500113.5E218 K219 V220 C224E218-Q222 WeakPolarHBondContact O-CG 3.37Å; E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 PolarHBondContact OE1-NE2 3.34Å; E218-Q222 VanDerWaalsContact OE1-NE2 3.07Å; K219-Q222 PolarHBondContact O-N 3.26Å; V220-Q222 VanDerWaalsContact C-N 3.31Å; V220-Q222 PolarHBondContact O-N 3.34Å; Q222-C224 VanDerWaalsContact C-N 3.32Å
223I94.8Very high91.7Very high144 Ų14486 Ų8674%0.73843%0.434SS*.Hα-helixtrans-69.6-31.1173.8-62.7165.1000111.1K219 V220 L221K219-I223 WeakPolarHBondContact O-CG1 3.46Å; K219-I223 PolarHBondContact O-N 2.95Å; V220-I223 WeakPolarHBondContact O-CB 3.38Å; V220-I223 PolarHBondContact O-N 3.43Å; L221-I223 VanDerWaalsContact C-N 3.3Å; L221-I223 PolarHBondContact O-N 3.08Å
224C94.1Very high92.2Very high25 Ų2578.4 Ų78.417%0.16941%0.409CS..SBendtrans-76.6141.3-178.5-62.50000112.5L221 Q222 M228 R229 I232L221-C224 PolarHBondContact O-N 3.33Å; Q222-C224 VanDerWaalsContact C-N 3.32Å; C224-M228 HydrophobicContact CB-CB 4.4Å; C224-R229 HydrophobicContact CB-CB 4.15Å; C224-R229 PolarHBondContact O-NH1 2.99Å; C224-I232 HydrophobicContact CB-CD1 4.44Å
225P95.9Very high92.9Very high77 Ų7782.3 Ų82.350%0.542%0.419SS..  trans-63.6158.4171.429.1-35.2000111D227 M228 R229P225-D227 VanDerWaalsContact C-N 3.26Å; P225-D227 PolarHBondContact O-N 3.32Å; P225-D227 VanDerWaalsContact O-N 3.09Å; P225-M228 HydrophobicContact CG-CB 4.05Å; P225-M228 HydrophobicContact CG-CG 3.9Å; P225-M228 HydrophobicContact CG-SD 3.64Å; P225-M228 PolarHBondContact O-N 3.35Å; P225-R229 WeakPolarHBondContact O-CB 3.35Å; P225-R229 PolarHBondContact O-N 3.4Å
226K92.8Very high93.1Very high168 Ų16881.1 Ų81.173%0.7341%0.414SS*.Hα-helixtrans-49.2-42.9-171.3-178.3-178.6174.8-177.40114.1A230K226-A230 PolarHBondContact O-N 3.38Å; K226-A230 VanDerWaalsContact O-N 3.11Å
227D93.9Very high93.5Very high103 Ų10378.1 Ų78.155%0.55140%0.398SS*.Hα-helixtrans-69.1-55.9-176.5-162.656.1000111.6P225 R229 A230 D231 R256P225-D227 VanDerWaalsContact C-N 3.26Å; P225-D227 PolarHBondContact O-N 3.32Å; P225-D227 VanDerWaalsContact O-N 3.09Å; D227-R229 VanDerWaalsContact C-N 3.26Å; D227-R229 PolarHBondContact O-N 3.39Å; D227-A230 WeakPolarHBondContact O-CB 3.42Å; D227-A230 PolarHBondContact O-N 2.92Å; D227-A230 VanDerWaalsContact O-N 3.08Å; D227-D231 PolarHBondContact O-N 2.9Å; D227-D231 VanDerWaalsContact O-N 3.1Å; D227-R256 IonicContact OD1-NH2 2.72Å
228M95.6Very high93.8Very high107 Ų10778.3 Ų78.353%0.52739%0.387SS..Hα-helixtrans-56.6-39.3174.3-66.917969.500112.6C224 P225 D231 I232C224-M228 HydrophobicContact CB-CB 4.4Å; P225-M228 HydrophobicContact CG-CB 4.05Å; P225-M228 HydrophobicContact CG-CG 3.9Å; P225-M228 HydrophobicContact CG-SD 3.64Å; P225-M228 PolarHBondContact O-N 3.35Å; M228-D231 PolarHBondContact O-N 3.01Å; M228-I232 WeakPolarHBondContact O-CD1 3.22Å; M228-I232 VanDerWaalsContact O-CG1 3.24Å; M228-I232 WeakPolarHBondContact O-CG1 3.4Å; M228-I232 PolarHBondContact O-N 2.84Å
229R94.7Very high94.1Very high62 Ų6275.9 Ų75.923%0.23438%0.375CS..Hα-helixtrans-61.6-44.6177-177.9176.952.6-114.211.4111.3L221 C224 P225 D227 D231 I232 C233 M260L221-R229 HydrophobicContact CB-CG 4.09Å; L221-R229 HydrophobicContact CD2-CG 4.08Å; L221-R229 VanDerWaalsContact O-CD 3.31Å; L221-R229 WeakPolarHBondContact O-CD 3.3Å; C224-R229 HydrophobicContact CB-CB 4.15Å; C224-R229 PolarHBondContact O-NH1 2.99Å; P225-R229 WeakPolarHBondContact O-CB 3.35Å; P225-R229 PolarHBondContact O-N 3.4Å; D227-R229 VanDerWaalsContact C-N 3.26Å; D227-R229 PolarHBondContact O-N 3.39Å; R229-D231 VanDerWaalsContact C-N 3.34Å; R229-D231 PolarHBondContact O-N 3.49Å; R229-I232 PolarHBondContact O-N 3.49Å; R229-C233 WeakPolarHBondContact O-CB 3.22Å; R229-C233 PolarHBondContact O-N 3.16Å; R229-C233 PolarHBondContact O-SG 3.49Å; R229-M260 HydrophobicContact CB-SD 4.49Å; R229-M260 HydrophobicContact CG-CE 4.18Å; R229-M260 HydrophobicContact CG-SD 3.82Å
230A94.9Very high94.3Very high10 Ų1070.1 Ų70.18%0.08335%0.35CS..Hα-helixtrans-61.8-42.617700000111.5K226 D227 C233 V234 R256 M260K226-A230 PolarHBondContact O-N 3.38Å; K226-A230 VanDerWaalsContact O-N 3.11Å; D227-A230 WeakPolarHBondContact O-CB 3.42Å; D227-A230 PolarHBondContact O-N 2.92Å; D227-A230 VanDerWaalsContact O-N 3.08Å; A230-C233 PolarHBondContact O-N 3.04Å; A230-V234 WeakPolarHBondContact O-CG2 3.25Å; A230-V234 PolarHBondContact O-N 3.37Å; A230-R256 HydrophobicContact CB-CB 4.12Å; A230-R256 HydrophobicContact CB-CG 4.1Å; A230-M260 HydrophobicContact CB-CG 4.3Å; A230-M260 HydrophobicContact CB-SD 4.3Å
231D95.8Very high94.4Very high68 Ų6867.5 Ų67.536%0.36433%0.332SS..Hα-helixtrans-66.8-39.4178.6-72.2-6.9000112.9D227 M228 R229 V234 H235 R256D227-D231 PolarHBondContact O-N 2.9Å; D227-D231 VanDerWaalsContact O-N 3.1Å; M228-D231 PolarHBondContact O-N 3.01Å; R229-D231 VanDerWaalsContact C-N 3.34Å; R229-D231 PolarHBondContact O-N 3.49Å; D231-V234 PolarHBondContact O-N 3.31Å; D231-H235 PolarHBondContact O-N 2.83Å; D231-R256 VanDerWaalsContact CG-NH2 3.3Å; D231-R256 IonicContact OD1-CZ 3.6Å; D231-R256 IonicContact OD1-NE 3.34Å; D231-R256 PolarHBondContact OD1-NE 2.82Å; D231-R256 IonicContact OD1-NH2 2.78Å; D231-R256 PolarHBondContact OD1-NH2 2.99Å; D231-R256 IonicContact OD2-NH2 3.51Å; D231-R256 PolarHBondContact OD2-NH2 3.22Å; D231-R256 VanDerWaalsContact OD2-NH2 3.09Å
232I95.9Very high94.5Very high65 Ų6574.6 Ų74.633%0.33336%0.362SS..Hα-helixtrans-61.6-47.1171.7-66.5162.7000109.9L221 C224 M228 R229 V234 H235 L236L221-I232 HydrophobicContact CD2-CB 4.11Å; L221-I232 HydrophobicContact CD2-CG2 3.63Å; C224-I232 HydrophobicContact CB-CD1 4.44Å; M228-I232 WeakPolarHBondContact O-CD1 3.22Å; M228-I232 VanDerWaalsContact O-CG1 3.24Å; M228-I232 WeakPolarHBondContact O-CG1 3.4Å; M228-I232 PolarHBondContact O-N 2.84Å; R229-I232 PolarHBondContact O-N 3.49Å; I232-V234 VanDerWaalsContact C-N 3.33Å; I232-V234 PolarHBondContact O-N 3.01Å; I232-H235 WeakPolarHBondContact O-CB 3.45Å; I232-H235 PolarHBondContact O-N 3.49Å; I232-H235 VanDerWaalsContact O-N 3.1Å; I232-L236 HydrophobicContact CG2-CD1 4.15Å; I232-L236 HydrophobicContact CG2-CG 4.37Å; I232-L236 WeakPolarHBondContact O-CG 3.35Å; I232-L236 PolarHBondContact O-N 3.38Å
233C94.9Very high94.6Very high10 Ų1072.9 Ų72.97%0.06835%0.354CS..Hα-helixtrans-61.8-38.3177.2-70.30000112.5R229 A230 H235 L236 N237 A259R229-C233 WeakPolarHBondContact O-CB 3.22Å; R229-C233 PolarHBondContact O-N 3.16Å; R229-C233 PolarHBondContact O-SG 3.49Å; A230-C233 PolarHBondContact O-N 3.04Å; C233-H235 VanDerWaalsContact C-N 3.32Å; C233-L236 PolarHBondContact O-N 2.97Å; C233-N237 WeakPolarHBondContact O-CB 3.48Å; C233-N237 PolarHBondContact O-N 3.1Å; C233-N237 PolarHBondContact O-ND2 2.93Å; C233-A259 HydrophobicContact CB-CB 3.82Å; C233-A259 WeakPolarHBondContact CB-O 3.44Å
234V96.1Very high94.5Very high33 Ų3366.7 Ų66.720%0.232%0.322CS..Hα-helixtrans-63.5-39.7173.5169.80000110.7A230 D231 I232 R238 R256 A259A230-V234 WeakPolarHBondContact O-CG2 3.25Å; A230-V234 PolarHBondContact O-N 3.37Å; D231-V234 PolarHBondContact O-N 3.31Å; I232-V234 VanDerWaalsContact C-N 3.33Å; I232-V234 PolarHBondContact O-N 3.01Å; V234-R238 PolarHBondContact O-N 3.25Å; V234-R256 HydrophobicContact CG2-CB 4.5Å; V234-R256 HydrophobicContact CG2-CG 3.9Å; V234-A259 HydrophobicContact CB-CB 4.38Å; V234-A259 HydrophobicContact CG2-CB 3.6Å
235H95.2Very high94.4Very high111 Ų11169.3 Ų69.351%0.51434%0.339SS..Hα-helixtrans-66.1-41.7174.8-175.390.6000112.9D231 I232 C233 R238D231-H235 PolarHBondContact O-N 2.83Å; I232-H235 WeakPolarHBondContact O-CB 3.45Å; I232-H235 PolarHBondContact O-N 3.49Å; I232-H235 VanDerWaalsContact O-N 3.1Å; C233-H235 VanDerWaalsContact C-N 3.32Å; H235-R238 PolarHBondContact CD2-NH1 2.87Å; H235-R238 PolarHBondContact NE2-NH1 3.26Å; H235-R238 VanDerWaalsContact O-CB 3.26Å; H235-R238 WeakPolarHBondContact O-CB 3.46Å; H235-R238 WeakPolarHBondContact O-CD 3.35Å; H235-R238 WeakPolarHBondContact O-CG 3.37Å; H235-R238 PolarHBondContact O-N 3.42Å; H235-R238 PolarHBondContact O-NH1 3.42Å
236L93.1Very high94.3Very high79 Ų7965.7 Ų65.741%0.41432%0.315SS..Hα-helixtrans-60.8-48.1176-69172.5000110.6I232 C233 R238I232-L236 HydrophobicContact CG2-CD1 4.15Å; I232-L236 HydrophobicContact CG2-CG 4.37Å; I232-L236 WeakPolarHBondContact O-CG 3.35Å; I232-L236 PolarHBondContact O-N 3.38Å; C233-L236 PolarHBondContact O-N 2.97Å; L236-R238 PolarHBondContact O-N 2.9Å
237N95.3Very high94.4Very high3 Ų357.9 Ų57.92%0.01628%0.281CS..THydrogen-bonded Turntrans-79.65.6-179.6-67.8-65.1000114.6C233 K239 V240 F241 A259 F262 H335C233-N237 WeakPolarHBondContact O-CB 3.48Å; C233-N237 PolarHBondContact O-N 3.1Å; C233-N237 PolarHBondContact O-ND2 2.93Å; N237-K239 PolarHBondContact O-N 3.29Å; N237-V240 PolarHBondContact O-N 2.86Å; N237-F241 HydrophobicContact CB-CD2 3.88Å; N237-F241 HydrophobicContact CB-CE2 3.4Å; N237-F241 HydrophobicContact CB-CZ 3.88Å; N237-F241 PolarHBondContact O-N 3.33Å; N237-A259 PolarHBondContact ND2-O 3.34Å; N237-F262 WeakPolarHBondContact ND2-CB 3.45Å; N237-F262 WeakPolarHBondContact OD1-CB 3.26Å; N237-H335 PolarHBondContact OD1-CE1 3.4Å; N237-H335 PolarHBondContact OD1-ND1 3.47Å
238R94.4Very high94.3Very high103 Ų10363.9 Ų63.939%0.38930%0.296SS..Hα-helixtrans-56-29.5-173.773.8-171.4177.2-78.46114.9V234 H235 L236 K242V234-R238 PolarHBondContact O-N 3.25Å; H235-R238 PolarHBondContact CD2-NH1 2.87Å; H235-R238 PolarHBondContact NE2-NH1 3.26Å; H235-R238 VanDerWaalsContact O-CB 3.26Å; H235-R238 WeakPolarHBondContact O-CB 3.46Å; H235-R238 WeakPolarHBondContact O-CD 3.35Å; H235-R238 WeakPolarHBondContact O-CG 3.37Å; H235-R238 PolarHBondContact O-N 3.42Å; H235-R238 PolarHBondContact O-NH1 3.42Å; L236-R238 PolarHBondContact O-N 2.9Å; R238-K242 VanDerWaalsContact O-CB 3.28Å; R238-K242 WeakPolarHBondContact O-CB 3.48Å; R238-K242 VanDerWaalsContact O-CG 3.3Å; R238-K242 WeakPolarHBondContact O-CG 3.38Å; R238-K242 PolarHBondContact O-N 2.84Å; R238-K242 VanDerWaalsContact O-N 3.12Å
239K92.3Very high94.1Very high76 Ų7664.5 Ų64.533%0.3330%0.301SS..Hα-helixtrans-65.5-49.4177.4-69.1179.6178177.70109.5N237 K242 E243 V287N237-K239 PolarHBondContact O-N 3.29Å; K239-K242 PolarHBondContact O-N 3.41Å; K239-E243 WeakPolarHBondContact O-CB 3.33Å; K239-E243 VanDerWaalsContact O-CG 3.23Å; K239-E243 WeakPolarHBondContact O-CG 3.22Å; K239-E243 PolarHBondContact O-N 3.48Å; K239-V287 HydrophobicContact CB-CG1 3.65Å; K239-V287 HydrophobicContact CD-CG1 3.15Å; K239-V287 HydrophobicContact CG-CG1 4.05Å
240V95.1Very high94.1Very high0 Ų062.3 Ų62.30%030%0.296CS..Hα-helixtrans-59-52.3176.6-178.80000111.4N237 K242 H244 F247 F262 F285 V287 H335N237-V240 PolarHBondContact O-N 2.86Å; V240-K242 VanDerWaalsContact C-N 3.3Å; V240-K242 PolarHBondContact O-N 2.92Å; V240-H244 PolarHBondContact O-CD2 2.75Å; V240-H244 PolarHBondContact O-N 3.02Å; V240-F247 HydrophobicContact CG1-CD2 4.06Å; V240-F247 HydrophobicContact CG1-CE2 3.5Å; V240-F247 HydrophobicContact CG1-CZ 4.19Å; V240-F262 HydrophobicContact CG1-CZ 4.25Å; V240-F285 HydrophobicContact CG1-CB 4.32Å; V240-F285 HydrophobicContact CG1-CD1 3.9Å; V240-F285 HydrophobicContact CG1-CD2 4.38Å; V240-F285 HydrophobicContact CG1-CE1 4.3Å; V240-F285 HydrophobicContact CG1-CG 3.95Å; V240-F285 HydrophobicContact CG2-CB 4.12Å; V240-V287 HydrophobicContact CG2-CG2 3.54Å; V240-H335 HydrophobicContact CG2-CB 3.53Å
241F95.3Very high94.1Very high18 Ų1864.8 Ų64.88%0.07931%0.313CS..Hα-helixtrans-69-24.5-174-60.6-40.7000114.6N237 F247 L255 L258 A259 F262N237-F241 HydrophobicContact CB-CD2 3.88Å; N237-F241 HydrophobicContact CB-CE2 3.4Å; N237-F241 HydrophobicContact CB-CZ 3.88Å; N237-F241 PolarHBondContact O-N 3.33Å; F241-F247 HydrophobicContact CD1-CB 4.13Å; F241-F247 AromaticContact CD1-CD1 3.97Å; F241-F247 HydrophobicContact CD1-CD1 3.97Å; F241-F247 HydrophobicContact CD1-CD2 4.13Å; F241-F247 HydrophobicContact CD1-CE1 4.42Å; F241-F247 AromaticContact CD1-CG 3.81Å; F241-F247 HydrophobicContact CD1-CG 3.81Å; F241-F247 HydrophobicContact CE1-CD1 4.19Å; F241-F247 HydrophobicContact CE1-CE1 4.31Å; F241-F247 HydrophobicContact CE1-CG 4.47Å; F241-L255 HydrophobicContact CB-CD2 4.13Å; F241-L255 HydrophobicContact CD1-CD2 3.66Å; F241-L255 HydrophobicContact CD2-CD2 4.22Å; F241-L255 HydrophobicContact CE1-CD2 4.04Å; F241-L255 HydrophobicContact CG-CD2 3.76Å; F241-L255 HydrophobicContact CZ-CD2 4.47Å; F241-L258 HydrophobicContact CE1-CB 4.19Å; F241-L258 HydrophobicContact CE1-CD1 4.43Å; F241-L258 HydrophobicContact CZ-CB 4.12Å; F241-A259 HydrophobicContact CE2-CB 3.82Å; F241-A259 HydrophobicContact CZ-CB 3.96Å; F241-F262 HydrophobicContact CE1-CD2 4.15Å; F241-F262 AromaticContact CE1-CE2 3.75Å; F241-F262 HydrophobicContact CE1-CE2 3.75Å; F241-F262 AromaticContact CZ-CD2 3.95Å; F241-F262 HydrophobicContact CZ-CD2 3.95Å; F241-F262 HydrophobicContact CZ-CE2 4.04Å
242K93.1Very high94.1Very high180 Ų18065.8 Ų65.878%0.78332%0.318SS*.Hα-helixtrans-95-30.3178.4-67.1-174.3177.1-168.80113.6R238 K239 V240R238-K242 VanDerWaalsContact O-CB 3.28Å; R238-K242 WeakPolarHBondContact O-CB 3.48Å; R238-K242 VanDerWaalsContact O-CG 3.3Å; R238-K242 WeakPolarHBondContact O-CG 3.38Å; R238-K242 PolarHBondContact O-N 2.84Å; R238-K242 VanDerWaalsContact O-N 3.12Å; K239-K242 PolarHBondContact O-N 3.41Å; V240-K242 VanDerWaalsContact C-N 3.3Å; V240-K242 PolarHBondContact O-N 2.92Å
243E92.6Very high94Very high89 Ų8964.1 Ų64.142%0.41632%0.317SS..Hα-helixtrans-87.3-35.7-175.7-63.8-179.4-179.200112.6K239 K305K239-E243 WeakPolarHBondContact O-CB 3.33Å; K239-E243 VanDerWaalsContact O-CG 3.23Å; K239-E243 WeakPolarHBondContact O-CG 3.22Å; K239-E243 PolarHBondContact O-N 3.48Å; E243-K305 IonicContact OE1-NZ 2.71Å; E243-K305 PolarHBondContact OE1-NZ 2.88Å; E243-K305 VanDerWaalsContact OE2-CE 3.26Å; E243-K305 WeakPolarHBondContact OE2-CE 3.36Å; E243-K305 IonicContact OE2-NZ 2.69Å; E243-K305 PolarHBondContact OE2-NZ 2.86Å
244H94.1Very high94.1Very high13 Ų1363.7 Ų63.76%0.0631%0.314CS..  trans-89.8133.3-178.7-61.5-87.1000113.3V240 A246 F247 F285 G306 V308V240-H244 PolarHBondContact O-CD2 2.75Å; V240-H244 PolarHBondContact O-N 3.02Å; H244-A246 PolarHBondContact O-N 3.06Å; H244-F247 HydrophobicContact CB-CD2 4.02Å; H244-F247 HydrophobicContact CB-CE2 4.27Å; H244-F247 PolarHBondContact O-N 2.98Å; H244-F285 AromaticContact CD2-CD1 3.77Å; H244-F285 AromaticContact CE1-CD1 3.82Å; H244-F285 AromaticContact NE2-CD1 3.54Å; H244-G306 PolarHBondContact CE1-O 3.11Å; H244-V308 WeakPolarHBondContact CE1-CG2 3.32Å
245P92.4Very high94.1Very high81 Ų8163.7 Ų63.753%0.52631%0.313SS..G310 helixtrans-65.4-24.8-177.126.9-35.4000113.5F247 R248P245-F247 PolarHBondContact O-N 2.99Å; P245-R248 PolarHBondContact O-N 3.5Å
246A93.9Very high94.1Very high0 Ų061.5 Ų61.50%030%0.3CS..G310 helixtrans-57.3-33.9-179.500000113.7H244 F352 H355 F356 L360H244-A246 PolarHBondContact O-N 3.06Å; A246-F352 WeakPolarHBondContact O-CE2 3.12Å; A246-H355 PolarHBondContact O-ND1 3.45Å; A246-F356 HydrophobicContact CB-CD2 3.91Å; A246-F356 HydrophobicContact CB-CE2 4.18Å; A246-L360 HydrophobicContact CB-CB 3.78Å; A246-L360 HydrophobicContact CB-CD1 4.11Å; A246-L360 HydrophobicContact CB-CG 4.46Å
247F94.9Very high94.2Very high4 Ų459.3 Ų59.32%0.01829%0.293CS..G310 helixtrans-94.4-8.9-176.4-56.7-71000114.3V240 F241 H244 P245 L249 A250 L255 L258 F262 F285 F352 F356V240-F247 HydrophobicContact CG1-CD2 4.06Å; V240-F247 HydrophobicContact CG1-CE2 3.5Å; V240-F247 HydrophobicContact CG1-CZ 4.19Å; F241-F247 HydrophobicContact CD1-CB 4.13Å; F241-F247 AromaticContact CD1-CD1 3.97Å; F241-F247 HydrophobicContact CD1-CD1 3.97Å; F241-F247 HydrophobicContact CD1-CD2 4.13Å; F241-F247 HydrophobicContact CD1-CE1 4.42Å; F241-F247 AromaticContact CD1-CG 3.81Å; F241-F247 HydrophobicContact CD1-CG 3.81Å; F241-F247 HydrophobicContact CE1-CD1 4.19Å; F241-F247 HydrophobicContact CE1-CE1 4.31Å; F241-F247 HydrophobicContact CE1-CG 4.47Å; H244-F247 HydrophobicContact CB-CD2 4.02Å; H244-F247 HydrophobicContact CB-CE2 4.27Å; H244-F247 PolarHBondContact O-N 2.98Å; P245-F247 PolarHBondContact O-N 2.99Å; F247-L249 PolarHBondContact O-N 3.48Å; F247-L249 VanDerWaalsContact O-N 3.08Å; F247-A250 VanDerWaalsContact O-CB 3.25Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 2.99Å; F247-L255 HydrophobicContact CB-CD2 4.33Å; F247-L258 HydrophobicContact CD1-CD1 3.87Å; F247-L258 HydrophobicContact CE1-CD1 3.79Å; F247-F262 HydrophobicContact CZ-CZ 4.2Å; F247-F285 HydrophobicContact CE2-CD1 4.41Å; F247-F285 AromaticContact CE2-CE1 3.68Å; F247-F285 HydrophobicContact CE2-CE1 3.68Å; F247-F285 AromaticContact CE2-CZ 3.89Å; F247-F285 HydrophobicContact CE2-CZ 3.89Å; F247-F285 AromaticContact CZ-CE1 3.95Å; F247-F285 HydrophobicContact CZ-CE1 3.95Å; F247-F285 HydrophobicContact CZ-CE2 4.41Å; F247-F285 AromaticContact CZ-CZ 3.65Å; F247-F285 HydrophobicContact CZ-CZ 3.65Å; F247-F352 HydrophobicContact CD1-CZ 4.02Å; F247-F356 HydrophobicContact CD1-CE2 4.38Å; F247-F356 HydrophobicContact CE1-CD2 4.22Å; F247-F356 AromaticContact CE1-CE2 3.6Å; F247-F356 HydrophobicContact CE1-CE2 3.6Å; F247-F356 AromaticContact CZ-CE2 3.78Å; F247-F356 HydrophobicContact CZ-CE2 3.78Å
248R90.3Very high94.3Very high229 Ų22959.1 Ų59.186%0.86429%0.292SS*.THydrogen-bonded Turntrans-59.6-26.1-174.3-176175.5176.4-177.6-0.3114.2P245P245-R248 PolarHBondContact O-N 3.5Å
249L91.9Very high94.3Very high121 Ų12154.2 Ų54.263%0.63427%0.274SS*.THydrogen-bonded Turntrans-10811.3-179.5-149.7127.4000112.6F247 H355F247-L249 PolarHBondContact O-N 3.48Å; F247-L249 VanDerWaalsContact O-N 3.08Å; L249-H355 VanDerWaalsContact CB-CE1 3.49Å; L249-H355 WeakPolarHBondContact CB-CE1 3.25Å; L249-H355 WeakPolarHBondContact CB-NE2 3.39Å
250A94.6Very high94.4Very high16 Ų1653.9 Ų53.913%0.13227%0.274CS..  trans-68.7139.6172.800000110.3F247 C254 L255 F352F247-A250 VanDerWaalsContact O-CB 3.25Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 2.99Å; A250-C254 HydrophobicContact CB-CB 4.44Å; A250-L255 HydrophobicContact CB-CD2 3.63Å; A250-L255 HydrophobicContact CB-CG 3.74Å; A250-F352 HydrophobicContact CB-CD2 3.94Å; A250-F352 HydrophobicContact CB-CE2 3.57Å; A250-F352 HydrophobicContact CB-CZ 4.09Å
251S95.6Very high94.4Very high62 Ų6258.3 Ų58.343%0.43430%0.295SS..  trans-71.1156.5168.4630000110.6G253 C254 L255S251-G253 VanDerWaalsContact C-N 3.31Å; S251-G253 PolarHBondContact O-N 3.31Å; S251-C254 CarbonylContact O-C 3.6Å; S251-C254 WeakPolarHBondContact O-CA 3.38Å; S251-C254 WeakPolarHBondContact O-CB 3.39Å; S251-C254 PolarHBondContact O-N 3.02Å; S251-C254 VanDerWaalsContact OG-CB 3.31Å; S251-C254 WeakPolarHBondContact OG-CB 3.21Å; S251-C254 PolarHBondContact OG-N 3.12Å; S251-L255 PolarHBondContact O-N 3Å
252D94.3Very high94.3Very high88 Ų8858.2 Ų58.247%0.47130%0.295SS..Hα-helixtrans-54.5-44.7177.6177.474.6000112.6C254 L255 R256D252-C254 VanDerWaalsContact C-N 3.28Å; D252-C254 PolarHBondContact O-N 2.9Å; D252-L255 PolarHBondContact O-N 3.02Å; D252-R256 WeakPolarHBondContact O-CB 3.48Å; D252-R256 WeakPolarHBondContact O-CG 3.37Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 WeakPolarHBondContact OD2-CD 3.39Å; D252-R256 IonicContact OD2-CZ 3.74Å; D252-R256 IonicContact OD2-NE 2.65Å; D252-R256 IonicContact OD2-NH1 3.63Å; D252-R256 PolarHBondContact OD2-NH1 3.34Å
253G95.1Very high94.3Very high31 Ų3154.9 Ų54.932%0.3228%0.282SS..Hα-helixtrans-62.6-30.7174.200000114.1S251 A257 Y349S251-G253 VanDerWaalsContact C-N 3.31Å; S251-G253 PolarHBondContact O-N 3.31Å; G253-A257 WeakPolarHBondContact O-CB 3.36Å; G253-A257 PolarHBondContact O-N 3.37Å; G253-Y349 PolarHBondContact O-OH 3Å
254C96Very high94.2Very high0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-74-43.6173.9-173.70000111.4A250 S251 D252 R256 A257 L258 Y349 F352A250-C254 HydrophobicContact CB-CB 4.44Å; S251-C254 CarbonylContact O-C 3.6Å; S251-C254 WeakPolarHBondContact O-CA 3.38Å; S251-C254 WeakPolarHBondContact O-CB 3.39Å; S251-C254 PolarHBondContact O-N 3.02Å; S251-C254 VanDerWaalsContact OG-CB 3.31Å; S251-C254 WeakPolarHBondContact OG-CB 3.21Å; S251-C254 PolarHBondContact OG-N 3.12Å; D252-C254 VanDerWaalsContact C-N 3.28Å; D252-C254 PolarHBondContact O-N 2.9Å; C254-R256 PolarHBondContact O-N 2.99Å; C254-A257 PolarHBondContact O-N 3.41Å; C254-L258 WeakPolarHBondContact O-CB 3.16Å; C254-L258 WeakPolarHBondContact O-CG 3.4Å; C254-L258 PolarHBondContact O-N 3.26Å; C254-Y349 HydrophobicContact CB-CD1 4.11Å; C254-Y349 HydrophobicContact CB-CD2 3.9Å; C254-Y349 HydrophobicContact CB-CE1 4.13Å; C254-Y349 HydrophobicContact CB-CE2 3.92Å; C254-Y349 HydrophobicContact CB-CG 4Å; C254-F352 VanDerWaalsContact SG-CD1 3.52Å
255L96.1Very high94.1Very high33 Ų3356.1 Ų56.117%0.17329%0.293CS..Hα-helixtrans-59.7-44.7173.9-70.1176.5000111.7F241 F247 A250 S251 D252 L258 A259F241-L255 HydrophobicContact CB-CD2 4.13Å; F241-L255 HydrophobicContact CD1-CD2 3.66Å; F241-L255 HydrophobicContact CD2-CD2 4.22Å; F241-L255 HydrophobicContact CE1-CD2 4.04Å; F241-L255 HydrophobicContact CG-CD2 3.76Å; F241-L255 HydrophobicContact CZ-CD2 4.47Å; F247-L255 HydrophobicContact CB-CD2 4.33Å; A250-L255 HydrophobicContact CB-CD2 3.63Å; A250-L255 HydrophobicContact CB-CG 3.74Å; S251-L255 PolarHBondContact O-N 3Å; D252-L255 PolarHBondContact O-N 3.02Å; L255-L258 PolarHBondContact O-N 2.88Å; L255-A259 WeakPolarHBondContact O-CB 3.36Å; L255-A259 PolarHBondContact O-N 3.25Å
256R95.8Very high93.9Very high66 Ų6656.6 Ų56.625%0.24929%0.288CS..Hα-helixtrans-61.5-42.1174.8-76.9170159.1172.3-22112.4D227 A230 D231 V234 D252 C254 M260D227-R256 IonicContact OD1-NH2 2.72Å; A230-R256 HydrophobicContact CB-CB 4.12Å; A230-R256 HydrophobicContact CB-CG 4.1Å; D231-R256 VanDerWaalsContact CG-NH2 3.3Å; D231-R256 IonicContact OD1-CZ 3.6Å; D231-R256 IonicContact OD1-NE 3.34Å; D231-R256 PolarHBondContact OD1-NE 2.82Å; D231-R256 IonicContact OD1-NH2 2.78Å; D231-R256 PolarHBondContact OD1-NH2 2.99Å; D231-R256 IonicContact OD2-NH2 3.51Å; D231-R256 PolarHBondContact OD2-NH2 3.22Å; D231-R256 VanDerWaalsContact OD2-NH2 3.09Å; V234-R256 HydrophobicContact CG2-CB 4.5Å; V234-R256 HydrophobicContact CG2-CG 3.9Å; D252-R256 WeakPolarHBondContact O-CB 3.48Å; D252-R256 WeakPolarHBondContact O-CG 3.37Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 WeakPolarHBondContact OD2-CD 3.39Å; D252-R256 IonicContact OD2-CZ 3.74Å; D252-R256 IonicContact OD2-NE 2.65Å; D252-R256 IonicContact OD2-NH1 3.63Å; D252-R256 PolarHBondContact OD2-NH1 3.34Å; C254-R256 PolarHBondContact O-N 2.99Å; R256-M260 WeakPolarHBondContact O-CG 3.42Å; R256-M260 PolarHBondContact O-N 3.41Å
257A95.9Very high93.7Very high32 Ų3257.1 Ų57.126%0.26429%0.292SS..Hα-helixtrans-65.2-44.317600000112.5G253 C254 V345 Y349G253-A257 WeakPolarHBondContact O-CB 3.36Å; G253-A257 PolarHBondContact O-N 3.37Å; C254-A257 PolarHBondContact O-N 3.41Å; A257-V345 HydrophobicContact CB-CG1 4.17Å; A257-V345 HydrophobicContact CB-CG2 4.37Å; A257-Y349 HydrophobicContact CB-CE2 3.95Å
258L95.9Very high93.5Very high0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-63.2-47.3174.8-72168.7000111.6F241 F247 C254 L255 M260 E261 F262 I337 L342 V345 F352F241-L258 HydrophobicContact CE1-CB 4.19Å; F241-L258 HydrophobicContact CE1-CD1 4.43Å; F241-L258 HydrophobicContact CZ-CB 4.12Å; F247-L258 HydrophobicContact CD1-CD1 3.87Å; F247-L258 HydrophobicContact CE1-CD1 3.79Å; C254-L258 WeakPolarHBondContact O-CB 3.16Å; C254-L258 WeakPolarHBondContact O-CG 3.4Å; C254-L258 PolarHBondContact O-N 3.26Å; L255-L258 PolarHBondContact O-N 2.88Å; L258-M260 PolarHBondContact O-N 3.35Å; L258-E261 PolarHBondContact O-N 2.96Å; L258-F262 HydrophobicContact CB-CD2 4.31Å; L258-F262 HydrophobicContact CB-CE2 4.21Å; L258-F262 VanDerWaalsContact O-CD2 3.3Å; L258-F262 WeakPolarHBondContact O-CD2 3.34Å; L258-F262 PolarHBondContact O-N 2.88Å; L258-F262 VanDerWaalsContact O-N 3.11Å; L258-I337 HydrophobicContact CD2-CD1 3.91Å; L258-L342 HydrophobicContact CD2-CD1 3.92Å; L258-V345 HydrophobicContact CD2-CB 4.17Å; L258-V345 HydrophobicContact CD2-CG1 3.76Å; L258-V345 HydrophobicContact CG-CG1 3.91Å; L258-F352 HydrophobicContact CD1-CE1 4.14Å; L258-F352 HydrophobicContact CD1-CZ 4.39Å
259A95.5Very high93.5Very high0 Ų049.8 Ų49.80%028%0.276CS..Hα-helixtrans-60-33.1-175.200000113.2C233 V234 N237 F241 L255 E261C233-A259 HydrophobicContact CB-CB 3.82Å; C233-A259 WeakPolarHBondContact CB-O 3.44Å; V234-A259 HydrophobicContact CB-CB 4.38Å; V234-A259 HydrophobicContact CG2-CB 3.6Å; N237-A259 PolarHBondContact ND2-O 3.34Å; F241-A259 HydrophobicContact CE2-CB 3.82Å; F241-A259 HydrophobicContact CZ-CB 3.96Å; L255-A259 WeakPolarHBondContact O-CB 3.36Å; L255-A259 PolarHBondContact O-N 3.25Å; A259-E261 VanDerWaalsContact C-N 3.26Å; A259-E261 PolarHBondContact O-N 2.75Å
260M94Very high93.3Very high69 Ų6945.8 Ų45.834%0.3426%0.264SS..Hα-helixtrans-66.6-24.7175.4-79.1-61-36.600113.8R229 A230 R256 L258R229-M260 HydrophobicContact CB-SD 4.49Å; R229-M260 HydrophobicContact CG-CE 4.18Å; R229-M260 HydrophobicContact CG-SD 3.82Å; A230-M260 HydrophobicContact CB-CG 4.3Å; A230-M260 HydrophobicContact CB-SD 4.3Å; R256-M260 WeakPolarHBondContact O-CG 3.42Å; R256-M260 PolarHBondContact O-N 3.41Å; L258-M260 PolarHBondContact O-N 3.35Å
261E94.8Very high93.1Very high92 Ų9246 Ų4643%0.4326%0.262SS..Hα-helixtrans-101.7-10.8-178.3-58.9-64.8152.900112.8L258 A259 I337 A341L258-E261 PolarHBondContact O-N 2.96Å; A259-E261 VanDerWaalsContact C-N 3.26Å; A259-E261 PolarHBondContact O-N 2.75Å; E261-I337 HydrophobicContact CB-CD1 4.16Å; E261-I337 HydrophobicContact CB-CG1 4.28Å; E261-A341 HydrophobicContact CB-CB 3.88Å; E261-A341 HydrophobicContact CG-CB 3.93Å; E261-A341 WeakPolarHBondContact OE2-CB 3.45Å
262F94.7Very high93Very high17 Ų1745.5 Ų45.58%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-75.5134.2175.1-95.9-73.6000111.7N237 V240 F241 F247 L258 F285 H335 I337N237-F262 WeakPolarHBondContact ND2-CB 3.45Å; N237-F262 WeakPolarHBondContact OD1-CB 3.26Å; V240-F262 HydrophobicContact CG1-CZ 4.25Å; F241-F262 HydrophobicContact CE1-CD2 4.15Å; F241-F262 AromaticContact CE1-CE2 3.75Å; F241-F262 HydrophobicContact CE1-CE2 3.75Å; F241-F262 AromaticContact CZ-CD2 3.95Å; F241-F262 HydrophobicContact CZ-CD2 3.95Å; F241-F262 HydrophobicContact CZ-CE2 4.04Å; F247-F262 HydrophobicContact CZ-CZ 4.2Å; L258-F262 HydrophobicContact CB-CD2 4.31Å; L258-F262 HydrophobicContact CB-CE2 4.21Å; L258-F262 VanDerWaalsContact O-CD2 3.3Å; L258-F262 WeakPolarHBondContact O-CD2 3.34Å; L258-F262 PolarHBondContact O-N 2.88Å; L258-F262 VanDerWaalsContact O-N 3.11Å; F262-F285 AromaticContact CE1-CD2 3.68Å; F262-F285 HydrophobicContact CE1-CD2 3.68Å; F262-F285 AromaticContact CE1-CE2 3.76Å; F262-F285 HydrophobicContact CE1-CE2 3.76Å; F262-F285 HydrophobicContact CZ-CD2 4.02Å; F262-F285 AromaticContact CZ-CE2 3.69Å; F262-F285 HydrophobicContact CZ-CE2 3.69Å; F262-F285 HydrophobicContact CZ-CZ 4.39Å; F262-H335 HydrophobicContact CD1-CB 4.18Å; F262-H335 HydrophobicContact CE1-CB 4.35Å; F262-I337 HydrophobicContact CD1-CB 3.96Å; F262-I337 HydrophobicContact CD2-CD1 4.19Å; F262-I337 HydrophobicContact CE1-CB 3.83Å; F262-I337 HydrophobicContact CE1-CG2 3.97Å; F262-I337 HydrophobicContact CE2-CB 4.47Å; F262-I337 HydrophobicContact CE2-CD1 4.06Å; F262-I337 HydrophobicContact CG-CB 4.34Å; F262-I337 HydrophobicContact CZ-CB 4.1Å; F262-I337 HydrophobicContact CZ-CD1 4.43Å; F262-I337 HydrophobicContact CZ-CG2 4Å
263Q92.4Very high93Very high109 Ų10943.1 Ų43.151%0.50924%0.241SC..EExtended strand (participates in β ladder)trans-116.4135.4175.7-59.8-178.3-2.200109.3V336Q263-V336 PolarHBondContact N-O 2.96Å; Q263-V336 PolarHBondContact O-N 2.91Å
264T90.9Very high93Very high59 Ų5942.2 Ų42.236%0.36223%0.228SC..EExtended strand (participates in β ladder)trans-94.5124.7172.6-57.10000109L334 H335T264-L334 CarbonylContact C-O 3.58Å; T264-L334 WeakPolarHBondContact CA-O 3.47Å; T264-H335 PolarHBondContact OG1-CE1 3.49Å
265I90.9Very high92.9Very high70 Ų7047 Ų4736%0.35925%0.251SS..EExtended strand (participates in β ladder)trans-115.4131.5177.6-55.2-174.5000107.9L334 V336I265-L334 HydrophobicContact CB-CB 4.48Å; I265-L334 PolarHBondContact N-O 3.31Å; I265-L334 PolarHBondContact O-N 2.96Å; I265-V336 HydrophobicContact CD1-CB 4.2Å; I265-V336 HydrophobicContact CD1-CG2 3.79Å; I265-V336 HydrophobicContact CG1-CG2 4.1Å
266H89.4Confident92.9Very high90 Ų9048.2 Ų48.242%0.41727%0.266SS..EExtended strand (participates in β ladder)trans-105.1128.1173.8-57.2-72000109C332 D333H266-C332 WeakPolarHBondContact CA-O 3.37Å; H266-D333 IonicContact CE1-OD1 2.75Å; H266-D333 PolarHBondContact CE1-OD1 3.29Å; H266-D333 IonicContact CG-OD1 2.58Å; H266-D333 IonicContact ND1-OD1 3.4Å; H266-D333 PolarHBondContact ND1-OD1 2.9Å
267C89.3Confident92.7Very high12 Ų1247 Ų478%0.08127%0.274CS..EExtended strand (participates in β ladder)trans-116.1141.2179.3-54.60000110.2D271 I273 A328 Y331 C332C267-D271 HydrophobicContact CB-CB 4.4Å; C267-I273 HydrophobicContact CB-CD1 4.49Å; C267-A328 HydrophobicContact CB-CB 4.09Å; C267-Y331 WeakPolarHBondContact O-CA 3.38Å; C267-C332 HydrophobicContact CB-CB 4.39Å; C267-C332 PolarHBondContact N-O 3.18Å; C267-C332 PolarHBondContact O-N 3.46Å
268A89.4Confident92.6Very high16 Ų1649.3 Ų49.313%0.13228%0.279CS..  trans-88.8160.3174.100000111.5G270 D271 A328 Y331A268-G270 PolarHBondContact O-N 3.39Å; A268-D271 WeakPolarHBondContact CA-OD2 3.43Å; A268-D271 WeakPolarHBondContact CB-OD2 3.44Å; A268-D271 PolarHBondContact N-OD2 2.86Å; A268-D271 VanDerWaalsContact O-CB 3.3Å; A268-D271 WeakPolarHBondContact O-CB 3.41Å; A268-D271 PolarHBondContact O-N 3.49Å; A268-A328 WeakPolarHBondContact O-CB 3.45Å; A268-Y331 HydrophobicContact CB-CD1 4.3Å; A268-Y331 HydrophobicContact CB-CE1 3.93Å
269P90.3Very high92.5Very high63 Ų6352.4 Ų52.441%0.40930%0.301SS..THydrogen-bonded Turntrans-53.2131.6173.3-24.132.2000112.2D271 Y331P269-D271 VanDerWaalsContact C-N 3.3Å; P269-D271 PolarHBondContact O-N 3.33Å; P269-Y331 HydrophobicContact CG-CD2 4.08Å; P269-Y331 HydrophobicContact CG-CE2 3.98Å; P269-Y331 HydrophobicContact CG-CG 4.43Å
270G88.8Confident92.5Very high37 Ų3752.4 Ų52.438%0.38130%0.301SS..THydrogen-bonded Turntrans84-7.3-177.900000115.1A268 A328A268-G270 PolarHBondContact O-N 3.39Å; G270-A328 PolarHBondContact N-O 3.23Å
271D90.1Very high92.4Very high19 Ų1951.6 Ų51.610%0.10230%0.298CS..  trans-66.8139.3174.3-76.4-27.7000111.6R200 C267 A268 P269 R327 A328R200-D271 IonicContact CZ-OD1 2.72Å; R200-D271 IonicContact NE-OD1 2.79Å; R200-D271 PolarHBondContact NE-OD1 2.89Å; R200-D271 IonicContact NH2-OD1 3.52Å; R200-D271 PolarHBondContact NH2-OD1 3.33Å; C267-D271 HydrophobicContact CB-CB 4.4Å; A268-D271 WeakPolarHBondContact CA-OD2 3.43Å; A268-D271 WeakPolarHBondContact CB-OD2 3.44Å; A268-D271 PolarHBondContact N-OD2 2.86Å; A268-D271 VanDerWaalsContact O-CB 3.3Å; A268-D271 WeakPolarHBondContact O-CB 3.41Å; A268-D271 PolarHBondContact O-N 3.49Å; P269-D271 VanDerWaalsContact C-N 3.3Å; P269-D271 PolarHBondContact O-N 3.33Å; D271-R327 CarbonylContact O-C 3.57Å; D271-R327 VanDerWaalsContact O-CA 3.28Å; D271-R327 WeakPolarHBondContact O-CA 3.36Å; D271-A328 PolarHBondContact O-N 3.09Å
272L92.4Very high92.5Very high53 Ų5347.6 Ų47.628%0.27728%0.28SS..EExtended strand (participates in β ladder)trans-95130.6169.2-69.7101.3000109.8N325 V326 R327L272-N325 HydrophobicContact CD2-CB 3.89Å; L272-V326 CarbonylContact C-O 3.59Å; L272-V326 VanDerWaalsContact CA-O 3.28Å; L272-V326 WeakPolarHBondContact CA-O 3.39Å; L272-R327 HydrophobicContact CG-CB 4.34Å; L272-R327 HydrophobicContact CG-CG 4.46Å
273I94.6Very high92.5Very high37 Ų3746.8 Ų46.819%0.1928%0.276CS..EExtended strand (participates in β ladder)trans-94.2-39-179.5-60.173.2000110.2C267 L291 V326 A328 L334C267-I273 HydrophobicContact CB-CD1 4.49Å; I273-L291 HydrophobicContact CD1-CD2 3.71Å; I273-L291 HydrophobicContact CG1-CD2 4.15Å; I273-V326 PolarHBondContact N-O 2.93Å; I273-A328 HydrophobicContact CD1-CB 4.09Å; I273-L334 HydrophobicContact CG1-CD1 3.87Å; I273-L334 HydrophobicContact CG2-CD1 4.12Å
274Y95.4Very high92.7Very high12 Ų1241.6 Ų41.65%0.04725%0.252CS..EExtended strand (participates in β ladder)trans-131.9141.4173.8-79.6-70.4000110.1E278 S282 F309 N325 V326 L366Y274-E278 WeakPolarHBondContact CA-OE2 3.44Å; Y274-S282 WeakPolarHBondContact OH-CB 3.27Å; Y274-S282 PolarHBondContact OH-O 3Å; Y274-F309 AromaticContact CD2-CE2 3.95Å; Y274-F309 HydrophobicContact CD2-CE2 3.95Å; Y274-F309 HydrophobicContact CE2-CE2 4.02Å; Y274-N325 CarbonylContact O-C 3.54Å; Y274-N325 WeakPolarHBondContact O-CA 3.48Å; Y274-V326 HydrophobicContact CD2-CG2 4.46Å; Y274-V326 PolarHBondContact O-N 3.43Å; Y274-L366 HydrophobicContact CD2-CD1 3.62Å; Y274-L366 HydrophobicContact CE2-CD1 3.95Å; Y274-L366 HydrophobicContact CG-CD1 4Å
275H95.3Very high93Very high101 Ų10138.9 Ų38.947%0.46824%0.235SC..  trans-102.5144.1171.6-68.7-79.8000111.7G277 E278 N325H275-G277 PolarHBondContact O-N 3.44Å; H275-E278 HydrophobicContact CB-CB 4.34Å; H275-E278 IonicContact CD2-OE2 3.53Å; H275-E278 PolarHBondContact N-OE2 3Å; H275-E278 WeakPolarHBondContact O-CB 3.25Å; H275-E278 PolarHBondContact O-N 3.26Å; H275-N325 WeakPolarHBondContact CA-OD1 3.36Å
276A94.4Very high93.3Very high59 Ų5935.5 Ų35.549%0.48822%0.218SC..THydrogen-bonded Turntrans-60.4126.3174.100000110.7A322 N325A276-A322 CarbonylContact C-O 3.56Å; A276-A322 WeakPolarHBondContact CA-O 3.45Å; A276-N325 PolarHBondContact N-OD1 2.76Å
277G92.1Very high93.5Very high41 Ų4131.3 Ų31.342%0.42320%0.199SC..THydrogen-bonded Turntrans94.7-13.4-172.900000115H275 A322H275-G277 PolarHBondContact O-N 3.44Å; G277-A322 PolarHBondContact N-O 3.07Å
278E94.2Very high93.8Very high79 Ų7933 Ų3337%0.36921%0.211SC..SBendtrans-69.6152177.3-170.8171.2-166.200112.1Y274 H275 V280 Q321 A322Y274-E278 WeakPolarHBondContact CA-OE2 3.44Å; H275-E278 HydrophobicContact CB-CB 4.34Å; H275-E278 IonicContact CD2-OE2 3.53Å; H275-E278 PolarHBondContact N-OE2 3Å; H275-E278 WeakPolarHBondContact O-CB 3.25Å; H275-E278 PolarHBondContact O-N 3.26Å; E278-V280 PolarHBondContact O-N 3.07Å; E278-Q321 CarbonylContact O-C 3.59Å; E278-Q321 VanDerWaalsContact O-CA 3.3Å; E278-Q321 WeakPolarHBondContact O-CA 3.21Å; E278-A322 PolarHBondContact O-N 3.5Å
279S93.9Very high94Very high65 Ų6533.3 Ų33.346%0.45522%0.216SC..BIsolated β-bridgetrans-72122.9176.152.80000111.8D281 A320S279-D281 PolarHBondContact O-N 2.85Å; S279-A320 WeakPolarHBondContact CA-O 3.37Å
280V94.4Very high94.3Very high0 Ų032 Ų320%021%0.208CC..  trans-80.689.3172.9-172.30000108.6E278 D311 F313 A320 A322 L366E278-V280 PolarHBondContact O-N 3.07Å; V280-D311 HydrophobicContact CB-CB 4.49Å; V280-D311 HydrophobicContact CG1-CB 3.87Å; V280-F313 HydrophobicContact CG1-CZ 4.4Å; V280-F313 WeakPolarHBondContact O-CE1 3.28Å; V280-A320 PolarHBondContact N-O 3.17Å; V280-A322 HydrophobicContact CG2-CB 3.74Å; V280-L366 HydrophobicContact CG1-CB 4.44Å; V280-L366 HydrophobicContact CG1-CD1 4.17Å; V280-L366 HydrophobicContact CG2-CB 3.75Å; V280-L366 HydrophobicContact CG2-CD1 4.05Å
281D93.7Very high94.8Very high53 Ų5330.2 Ų30.228%0.28319%0.189SC..  trans-97.6-6.2-178.286.1-33.2000113.9S279 L319 K338 R339S279-D281 PolarHBondContact O-N 2.85Å; D281-L319 HydrophobicContact CB-CD2 4.34Å; D281-K338 IonicContact OD2-NZ 2.68Å; D281-K338 PolarHBondContact OD2-NZ 3.47Å; D281-R339 WeakPolarHBondContact O-CB 3.29Å; D281-R339 PolarHBondContact O-N 3.33Å
282S95Very high95.1Very high7 Ų730.3 Ų30.35%0.04919%0.189CC..EExtended strand (participates in β ladder)trans-140.8155.3-169.8-55.60000112.3Y274 I337Y274-S282 WeakPolarHBondContact OH-CB 3.27Å; Y274-S282 PolarHBondContact OH-O 3Å; S282-I337 WeakPolarHBondContact CA-O 3.41Å
283L95.2Very high95.3Very high0 Ų027.8 Ų27.80%018%0.176CC..EExtended strand (participates in β ladder)trans-110.8127.5178.3176.170.5000108.8F285 V308 F313 W314 V336 I337 L342 F356 L360 L362L283-F285 HydrophobicContact CD2-CE2 3.65Å; L283-F285 HydrophobicContact CD2-CZ 3.59Å; L283-F285 HydrophobicContact CG-CE2 3.8Å; L283-F285 HydrophobicContact CG-CZ 4.09Å; L283-V308 HydrophobicContact CD1-CG1 3.73Å; L283-V308 HydrophobicContact CG-CG1 4.25Å; L283-F313 HydrophobicContact CB-CD2 4.47Å; L283-F313 HydrophobicContact CB-CE2 3.89Å; L283-W314 HydrophobicContact CD2-CZ3 4.38Å; L283-V336 WeakPolarHBondContact O-CA 3.49Å; L283-I337 HydrophobicContact CB-CG2 4.05Å; L283-I337 HydrophobicContact CD2-CG2 4.33Å; L283-I337 PolarHBondContact N-O 3.37Å; L283-I337 PolarHBondContact O-N 3.28Å; L283-L342 HydrophobicContact CD2-CD2 3.86Å; L283-F356 HydrophobicContact CD2-CZ 4.41Å; L283-L360 HydrophobicContact CD2-CD2 3.85Å; L283-L362 HydrophobicContact CD1-CD2 3.52Å
284C96.8Very high95.4Very high1 Ų127 Ų271%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-115.1130.6-171.8-60.80000111.6V308 F309 V336C284-V308 WeakPolarHBondContact O-CA 3.24Å; C284-V308 WeakPolarHBondContact O-CG1 3.48Å; C284-F309 HydrophobicContact CB-CD1 3.88Å; C284-F309 HydrophobicContact CB-CD2 4.19Å; C284-F309 HydrophobicContact CB-CE1 3.41Å; C284-F309 VanDerWaalsContact CB-CE1 3.41Å; C284-F309 HydrophobicContact CB-CE2 3.75Å; C284-F309 HydrophobicContact CB-CG 4.26Å; C284-F309 HydrophobicContact CB-CZ 3.35Å; C284-F309 PolarHBondContact N-O 3.01Å; C284-F309 PolarHBondContact O-N 3.33Å; C284-V336 HydrophobicContact CB-CG2 4.31Å
285F97.3Very high95.4Very high1 Ų126.5 Ų26.50%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-110.3124.1175-60.8-97.9000108.9V240 H244 F247 F262 L283 V287 V308 L334 H335 I337 L360V240-F285 HydrophobicContact CG1-CB 4.32Å; V240-F285 HydrophobicContact CG1-CD1 3.9Å; V240-F285 HydrophobicContact CG1-CD2 4.38Å; V240-F285 HydrophobicContact CG1-CE1 4.3Å; V240-F285 HydrophobicContact CG1-CG 3.95Å; V240-F285 HydrophobicContact CG2-CB 4.12Å; H244-F285 AromaticContact CD2-CD1 3.77Å; H244-F285 AromaticContact CE1-CD1 3.82Å; H244-F285 AromaticContact NE2-CD1 3.54Å; F247-F285 HydrophobicContact CE2-CD1 4.41Å; F247-F285 AromaticContact CE2-CE1 3.68Å; F247-F285 HydrophobicContact CE2-CE1 3.68Å; F247-F285 AromaticContact CE2-CZ 3.89Å; F247-F285 HydrophobicContact CE2-CZ 3.89Å; F247-F285 AromaticContact CZ-CE1 3.95Å; F247-F285 HydrophobicContact CZ-CE1 3.95Å; F247-F285 HydrophobicContact CZ-CE2 4.41Å; F247-F285 AromaticContact CZ-CZ 3.65Å; F247-F285 HydrophobicContact CZ-CZ 3.65Å; F262-F285 AromaticContact CE1-CD2 3.68Å; F262-F285 HydrophobicContact CE1-CD2 3.68Å; F262-F285 AromaticContact CE1-CE2 3.76Å; F262-F285 HydrophobicContact CE1-CE2 3.76Å; F262-F285 HydrophobicContact CZ-CD2 4.02Å; F262-F285 AromaticContact CZ-CE2 3.69Å; F262-F285 HydrophobicContact CZ-CE2 3.69Å; F262-F285 HydrophobicContact CZ-CZ 4.39Å; L283-F285 HydrophobicContact CD2-CE2 3.65Å; L283-F285 HydrophobicContact CD2-CZ 3.59Å; L283-F285 HydrophobicContact CG-CE2 3.8Å; L283-F285 HydrophobicContact CG-CZ 4.09Å; F285-V287 PolarHBondContact O-N 3.32Å; F285-V308 HydrophobicContact CD1-CB 4.35Å; F285-V308 HydrophobicContact CD1-CG1 3.88Å; F285-V308 HydrophobicContact CD1-CG2 3.56Å; F285-V308 HydrophobicContact CE1-CG1 3.8Å; F285-V308 HydrophobicContact CE1-CG2 3.83Å; F285-V308 HydrophobicContact CG-CG1 4.36Å; F285-V308 HydrophobicContact CG-CG2 4.49Å; F285-V308 HydrophobicContact CZ-CG1 4.2Å; F285-L334 WeakPolarHBondContact O-CA 3.32Å; F285-H335 HydrophobicContact CB-CB 4.38Å; F285-H335 WeakPolarHBondContact CD2-O 3.42Å; F285-H335 PolarHBondContact N-O 3.48Å; F285-H335 PolarHBondContact O-N 3.26Å; F285-I337 HydrophobicContact CE2-CG2 4.22Å; F285-L360 HydrophobicContact CE1-CD1 4.01Å; F285-L360 HydrophobicContact CZ-CD2 4.29Å
286V97.1Very high95.3Very high0 Ų025.4 Ų25.40%017%0.168CC..EExtended strand (participates in β ladder)trans-85.9107.9-178.8-174.30000109.4L291 L303 G304 G306 D307 F309 L334V286-L291 HydrophobicContact CB-CD1 4.39Å; V286-L291 HydrophobicContact CG1-CD1 3.64Å; V286-L291 HydrophobicContact CG2-CD1 3.77Å; V286-L303 HydrophobicContact CG2-CB 4.37Å; V286-G304 VanDerWaalsContact CB-O 3.25Å; V286-G304 WeakPolarHBondContact CB-O 3.39Å; V286-G304 WeakPolarHBondContact CG1-O 3.48Å; V286-G306 PolarHBondContact O-N 3.43Å; V286-D307 HydrophobicContact CG2-CB 4.41Å; V286-D307 PolarHBondContact N-O 3.18Å; V286-F309 HydrophobicContact CG2-CD1 3.9Å; V286-F309 HydrophobicContact CG2-CE1 3.68Å; V286-L334 HydrophobicContact CB-CD2 4.27Å; V286-L334 HydrophobicContact CG1-CD2 4.31Å; V286-L334 HydrophobicContact CG2-CD2 3.9Å
287V94.6Very high95.1Very high1 Ų129.2 Ų29.21%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-99.9-25.3-172.11720000112.4K239 V240 F285 K305 D333 H335K239-V287 HydrophobicContact CB-CG1 3.65Å; K239-V287 HydrophobicContact CD-CG1 3.15Å; K239-V287 HydrophobicContact CG-CG1 4.05Å; V240-V287 HydrophobicContact CG2-CG2 3.54Å; F285-V287 PolarHBondContact O-N 3.32Å; V287-K305 WeakPolarHBondContact O-CE 3.48Å; V287-D333 HydrophobicContact CB-CB 4.48Å; V287-D333 WeakPolarHBondContact CB-O 3.33Å; V287-D333 PolarHBondContact N-O 3.47Å; V287-H335 HydrophobicContact CG2-CB 4.12Å; V287-H335 WeakPolarHBondContact CG2-CD2 3.22Å
288S93.9Very high95.2Very high48 Ų4831.2 Ų31.234%0.33618%0.178SC..EExtended strand (participates in β ladder)trans-156.4152.9172.3-164.10000110.2C332 D333S288-C332 WeakPolarHBondContact O-CA 3.24Å; S288-D333 WeakPolarHBondContact CB-OD2 3.36Å; S288-D333 PolarHBondContact N-O 2.97Å; S288-D333 PolarHBondContact O-N 2.88Å
289G94.8Very high95.3Very high23 Ų2331.1 Ų31.124%0.23718%0.183CC..SBendtrans87.4-16818000000114.4T330G289-T330 WeakPolarHBondContact CA-OG1 3.34Å
290S96.8Very high95.3Very high34 Ų3430 Ų3024%0.23817%0.173CC..  trans-141.9140.7179.855.10000111.7L303 L329 T330 C332S290-L303 CarbonylContact C-O 3.6Å; S290-L303 VanDerWaalsContact CA-O 3.29Å; S290-L303 WeakPolarHBondContact CA-O 3.49Å; S290-L329 WeakPolarHBondContact O-CB 3.49Å; S290-L329 PolarHBondContact O-N 2.8Å; S290-T330 PolarHBondContact N-OG1 3.34Å; S290-T330 PolarHBondContact O-N 2.94Å; S290-C332 PolarHBondContact N-SG 2.88Å; S290-C332 PolarHBondContact O-SG 2.97Å
291L97.9Very high95.4Very high0 Ų031 Ų310%018%0.182CC..EExtended strand (participates in β ladder)trans-125.1156.3179.3-56.688.6000109.9I273 V286 I302 L303 F309 V326 R327 C332 L334I273-L291 HydrophobicContact CD1-CD2 3.71Å; I273-L291 HydrophobicContact CG1-CD2 4.15Å; V286-L291 HydrophobicContact CB-CD1 4.39Å; V286-L291 HydrophobicContact CG1-CD1 3.64Å; V286-L291 HydrophobicContact CG2-CD1 3.77Å; L291-I302 CarbonylContact O-C 3.59Å; L291-I302 WeakPolarHBondContact O-CA 3.28Å; L291-L303 HydrophobicContact CB-CB 4.34Å; L291-L303 PolarHBondContact N-O 3.48Å; L291-L303 PolarHBondContact O-N 3.03Å; L291-F309 HydrophobicContact CD2-CE1 4.44Å; L291-F309 HydrophobicContact CD2-CZ 4.26Å; L291-V326 HydrophobicContact CB-CG1 4.37Å; L291-V326 HydrophobicContact CD2-CG1 3.91Å; L291-R327 CarbonylContact C-O 3.51Å; L291-R327 VanDerWaalsContact CA-O 3.25Å; L291-R327 WeakPolarHBondContact CA-O 3.49Å; L291-R327 WeakPolarHBondContact CB-O 3.4Å; L291-C332 HydrophobicContact CD1-CB 4.29Å; L291-L334 HydrophobicContact CD1-CD2 4.04Å; L291-L334 HydrophobicContact CD2-CD1 4.2Å; L291-L334 HydrophobicContact CD2-CD2 4.27Å
292E97.5Very high95.5Very high21 Ų2134 Ų3410%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-118.7145.1170.863-175.7162.800110.3I294 V299 A301 R327 L329E292-I294 HydrophobicContact CG-CD1 4.14Å; E292-I294 HydrophobicContact CG-CG1 4.13Å; E292-V299 HydrophobicContact CB-CG1 4.14Å; E292-V299 WeakPolarHBondContact OE2-CG2 3.28Å; E292-A301 WeakPolarHBondContact CA-O 3.27Å; E292-R327 HydrophobicContact CG-CB 4.05Å; E292-R327 PolarHBondContact N-O 3.04Å; E292-R327 PolarHBondContact O-N 3.46Å; E292-R327 IonicContact OE1-CZ 2.69Å; E292-R327 IonicContact OE1-NE 3.9Å; E292-R327 PolarHBondContact OE1-NE 2.9Å; E292-R327 IonicContact OE1-NH2 2.78Å; E292-R327 PolarHBondContact OE1-NH2 3.25Å; E292-R327 IonicContact OE2-NH2 3.13Å; E292-L329 HydrophobicContact CB-CD1 4.23Å; E292-L329 HydrophobicContact CB-CD2 4.45Å; E292-L329 HydrophobicContact CB-CG 4.28Å; E292-L329 VanDerWaalsContact CD-CD2 3.46Å; E292-L329 HydrophobicContact CG-CD2 4Å; E292-L329 HydrophobicContact CG-CG 4.16Å; E292-L329 WeakPolarHBondContact OE1-CD2 3.42Å
293V97.3Very high95.6Very high0 Ų033.7 Ų33.70%019%0.194CC..EExtended strand (participates in β ladder)trans-106.9122.7175.1-173.60000107.8V299 V300 A301 L303 A324 N325 V326 Y364V293-V299 CarbonylContact O-C 3.48Å; V293-V299 WeakPolarHBondContact O-CA 3.34Å; V293-V300 HydrophobicContact CB-CG2 4.04Å; V293-V300 HydrophobicContact CG1-CG2 3.78Å; V293-V300 WeakPolarHBondContact O-CG2 3.47Å; V293-V300 PolarHBondContact O-N 2.75Å; V293-A301 HydrophobicContact CB-CB 4.15Å; V293-A301 HydrophobicContact CG2-CB 4.14Å; V293-A301 PolarHBondContact N-O 3.41Å; V293-L303 HydrophobicContact CG2-CD1 3.79Å; V293-L303 HydrophobicContact CG2-CG 4.11Å; V293-A324 HydrophobicContact CG1-CB 3.51Å; V293-N325 CarbonylContact C-O 3.54Å; V293-N325 WeakPolarHBondContact CA-O 3.31Å; V293-V326 HydrophobicContact CG1-CG2 4.46Å; V293-V326 HydrophobicContact CG2-CG2 4.35Å; V293-Y364 HydrophobicContact CG1-CD1 4.1Å; V293-Y364 HydrophobicContact CG1-CE1 3.75Å; V293-Y364 HydrophobicContact CG1-CE2 4.17Å; V293-Y364 HydrophobicContact CG1-CG 4.48Å; V293-Y364 HydrophobicContact CG2-CD1 4.5Å; V293-Y364 HydrophobicContact CG2-CG 4.33Å
294I96.4Very high95.7Very high20 Ų2034.7 Ų34.710%0.10321%0.205CC..EExtended strand (participates in β ladder)trans-116.9120.4-172.6-53.7170.3000109.3E292 E298 V299 A324 N325 R327E292-I294 HydrophobicContact CG-CD1 4.14Å; E292-I294 HydrophobicContact CG-CG1 4.13Å; I294-E298 CarbonylContact C-O 3.34Å; I294-E298 VanDerWaalsContact CA-O 3.32Å; I294-E298 WeakPolarHBondContact CA-O 3.45Å; I294-V299 HydrophobicContact CG1-CG2 4.38Å; I294-A324 WeakPolarHBondContact O-CA 3.38Å; I294-A324 WeakPolarHBondContact O-CB 3.41Å; I294-N325 HydrophobicContact CB-CB 4.32Å; I294-N325 PolarHBondContact N-O 3.39Å; I294-N325 PolarHBondContact O-N 3.36Å; I294-R327 HydrophobicContact CD1-CB 4.37Å
295Q95.1Very high95.6Very high3 Ų340.5 Ų40.51%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-126.3130.8177.3178.416280.800109D297 E298 V300 C323 A324 I370 F372Q295-D297 PolarHBondContact O-N 3.16Å; Q295-D297 VanDerWaalsContact O-N 3.16Å; Q295-E298 PolarHBondContact N-O 2.94Å; Q295-E298 PolarHBondContact O-N 3.14Å; Q295-V300 HydrophobicContact CB-CG1 3.87Å; Q295-V300 HydrophobicContact CB-CG2 4.03Å; Q295-C323 PolarHBondContact NE2-O 3.27Å; Q295-A324 HydrophobicContact CB-CB 4.02Å; Q295-I370 PolarHBondContact OE1-O 3.47Å; Q295-F372 HydrophobicContact CB-CE1 4.41Å; Q295-F372 HydrophobicContact CG-CE1 4.1Å; Q295-F372 WeakPolarHBondContact O-CZ 3.42Å
296D92.4Very high95.5Very high77 Ų7741.8 Ų41.841%0.41224%0.244SC..THydrogen-bonded Turntrans47.742.3-178.6-52.7-35.9000113.2E298 R369 F372 K374D296-E298 VanDerWaalsContact C-N 3.26Å; D296-E298 PolarHBondContact O-N 3.45Å; D296-R369 IonicContact OD1-CZ 3.39Å; D296-R369 IonicContact OD1-NH2 3.67Å; D296-R369 PolarHBondContact OD1-NH2 2.96Å; D296-R369 IonicContact OD2-CZ 2.66Å; D296-R369 IonicContact OD2-NH2 2.72Å; D296-R369 PolarHBondContact OD2-NH2 2.92Å; D296-F372 HydrophobicContact CB-CZ 4.13Å; D296-K374 WeakPolarHBondContact O-CE 3.49Å; D296-K374 PolarHBondContact O-NZ 3.26Å
297D91.5Very high95.4Very high140 Ų14043.7 Ų43.775%0.74925%0.254SS*.THydrogen-bonded Turntrans62.314.7-175.1-54.3-41.5000116.7Q295Q295-D297 PolarHBondContact O-N 3.16Å; Q295-D297 VanDerWaalsContact O-N 3.16Å
298E93.6Very high95.5Very high82 Ų8243.8 Ų43.838%0.38326%0.255SS..EExtended strand (participates in β ladder)trans-111.5144.5171.1-58.6-59.9146.200111.4I294 Q295 D296 V300 F372 K374I294-E298 CarbonylContact C-O 3.34Å; I294-E298 VanDerWaalsContact CA-O 3.32Å; I294-E298 WeakPolarHBondContact CA-O 3.45Å; Q295-E298 PolarHBondContact N-O 2.94Å; Q295-E298 PolarHBondContact O-N 3.14Å; D296-E298 VanDerWaalsContact C-N 3.26Å; D296-E298 PolarHBondContact O-N 3.45Å; E298-V300 PolarHBondContact O-N 3.23Å; E298-F372 HydrophobicContact CB-CE2 4.01Å; E298-F372 HydrophobicContact CB-CZ 4.03Å; E298-F372 HydrophobicContact CG-CE2 3.7Å; E298-F372 HydrophobicContact CG-CZ 4.16Å; E298-K374 HydrophobicContact CG-CD 4.26Å; E298-K374 HydrophobicContact CG-CG 4.3Å; E298-K374 VanDerWaalsContact OE1-CD 3.28Å; E298-K374 WeakPolarHBondContact OE1-CD 3.44Å; E298-K374 WeakPolarHBondContact OE1-CE 3.47Å; E298-K374 IonicContact OE1-NZ 2.75Å; E298-K374 PolarHBondContact OE1-NZ 2.9Å
299V95.6Very high95.6Very high78 Ų7841.5 Ų41.547%0.47324%0.239SC..EExtended strand (participates in β ladder)trans-77113.5172.7-179.30000109E292 V293 I294 I302E292-V299 HydrophobicContact CB-CG1 4.14Å; E292-V299 WeakPolarHBondContact OE2-CG2 3.28Å; V293-V299 CarbonylContact O-C 3.48Å; V293-V299 WeakPolarHBondContact O-CA 3.34Å; I294-V299 HydrophobicContact CG1-CG2 4.38Å; V299-I302 HydrophobicContact CG1-CG1 4.26Å
300V94.8Very high95.6Very high40 Ų4040.4 Ų40.424%0.24223%0.227CC..EExtended strand (participates in β ladder)trans-98.5-22.4-177.5-690000113.8V293 Q295 E298 Y364 I370 F372V293-V300 HydrophobicContact CB-CG2 4.04Å; V293-V300 HydrophobicContact CG1-CG2 3.78Å; V293-V300 WeakPolarHBondContact O-CG2 3.47Å; V293-V300 PolarHBondContact O-N 2.75Å; Q295-V300 HydrophobicContact CB-CG1 3.87Å; Q295-V300 HydrophobicContact CB-CG2 4.03Å; E298-V300 PolarHBondContact O-N 3.23Å; V300-Y364 HydrophobicContact CG2-CE2 3.85Å; V300-I370 HydrophobicContact CB-CD1 4.23Å; V300-F372 HydrophobicContact CG1-CD1 4.44Å; V300-F372 HydrophobicContact CG1-CE1 3.82Å; V300-F372 HydrophobicContact CG1-CZ 4.34Å
301A95.4Very high95.5Very high23 Ų2338.8 Ų38.819%0.1922%0.216CC..EExtended strand (participates in β ladder)trans-154.7154.7174.300000111.3E292 V293 Y364E292-A301 WeakPolarHBondContact CA-O 3.27Å; V293-A301 HydrophobicContact CB-CB 4.15Å; V293-A301 HydrophobicContact CG2-CB 4.14Å; V293-A301 PolarHBondContact N-O 3.41Å; A301-Y364 HydrophobicContact CB-CD2 3.59Å; A301-Y364 HydrophobicContact CB-CE2 4.05Å; A301-Y364 HydrophobicContact CB-CG 4.47Å
302I97.3Very high95.2Very high115 Ų11540 Ų4059%0.5922%0.224SC*.EExtended strand (participates in β ladder)trans-117.8132.9166.8-59.6175.7000106.5L291 V299L291-I302 CarbonylContact O-C 3.59Å; L291-I302 WeakPolarHBondContact O-CA 3.28Å; V299-I302 HydrophobicContact CG1-CG1 4.26Å
303L97.3Very high94.9Very high0 Ų039.4 Ų39.40%022%0.221CC..EExtended strand (participates in β ladder)trans-113.4123.2-179.4-54.7173.5000108.3V286 S290 L291 V293 D307 F309 T363V286-L303 HydrophobicContact CG2-CB 4.37Å; S290-L303 CarbonylContact C-O 3.6Å; S290-L303 VanDerWaalsContact CA-O 3.29Å; S290-L303 WeakPolarHBondContact CA-O 3.49Å; L291-L303 HydrophobicContact CB-CB 4.34Å; L291-L303 PolarHBondContact N-O 3.48Å; L291-L303 PolarHBondContact O-N 3.03Å; V293-L303 HydrophobicContact CG2-CD1 3.79Å; V293-L303 HydrophobicContact CG2-CG 4.11Å; L303-D307 WeakPolarHBondContact CA-OD2 3.47Å; L303-D307 HydrophobicContact CB-CB 4.17Å; L303-D307 HydrophobicContact CD2-CB 4.25Å; L303-F309 HydrophobicContact CD1-CB 3.76Å; L303-F309 HydrophobicContact CD1-CD1 3.59Å; L303-F309 HydrophobicContact CD1-CD2 4.36Å; L303-F309 HydrophobicContact CD1-CE1 4.25Å; L303-F309 HydrophobicContact CD1-CG 3.64Å; L303-T363 HydrophobicContact CD2-CG2 3.68Å
304G96.7Very high94.4Very high22 Ų2242 Ų4223%0.22723%0.231CC..  trans-111.8-166.6178.800000112.7V286 G306 D307V286-G304 VanDerWaalsContact CB-O 3.25Å; V286-G304 WeakPolarHBondContact CB-O 3.39Å; V286-G304 WeakPolarHBondContact CG1-O 3.48Å; G304-G306 PolarHBondContact O-N 3.43Å; G304-D307 PolarHBondContact N-OD2 2.87Å; G304-D307 WeakPolarHBondContact O-CB 3.44Å; G304-D307 PolarHBondContact O-N 3.38Å
305K95.5Very high93.9Very high122 Ų12247.6 Ų47.653%0.5325%0.254SS..THydrogen-bonded Turntrans-59.5128176.3-176.5178.9-174.3-106.80111.4E243 V287E243-K305 IonicContact OE1-NZ 2.71Å; E243-K305 PolarHBondContact OE1-NZ 2.88Å; E243-K305 VanDerWaalsContact OE2-CE 3.26Å; E243-K305 WeakPolarHBondContact OE2-CE 3.36Å; E243-K305 IonicContact OE2-NZ 2.69Å; E243-K305 PolarHBondContact OE2-NZ 2.86Å; V287-K305 WeakPolarHBondContact O-CE 3.48Å
306G93.6Very high93.3Very high29 Ų2950 Ų5030%0.29927%0.265SS..THydrogen-bonded Turntrans89.93178.800000114.2H244 V286 G304H244-G306 PolarHBondContact CE1-O 3.11Å; V286-G306 PolarHBondContact O-N 3.43Å; G304-G306 PolarHBondContact O-N 3.43Å
307D96.4Very high92.6Very high39 Ų3952 Ų5221%0.20928%0.28CS..  trans-83.3154.9174.3-77.6-45.4000113.1V286 L303 G304 T363V286-D307 HydrophobicContact CG2-CB 4.41Å; V286-D307 PolarHBondContact N-O 3.18Å; L303-D307 WeakPolarHBondContact CA-OD2 3.47Å; L303-D307 HydrophobicContact CB-CB 4.17Å; L303-D307 HydrophobicContact CD2-CB 4.25Å; G304-D307 PolarHBondContact N-OD2 2.87Å; G304-D307 WeakPolarHBondContact O-CB 3.44Å; G304-D307 PolarHBondContact O-N 3.38Å; D307-T363 HydrophobicContact CB-CG2 4.23Å; D307-T363 WeakPolarHBondContact CB-OG1 3.5Å; D307-T363 WeakPolarHBondContact OD1-CB 3.34Å; D307-T363 WeakPolarHBondContact OD1-CG2 3.23Å; D307-T363 PolarHBondContact OD1-OG1 3.38Å
308V96.8Very high92.4Very high3 Ų349.7 Ų49.72%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-129.1130.8179.3-166.50000109.8H244 L283 C284 F285 L360 L362 T363 Y364H244-V308 WeakPolarHBondContact CE1-CG2 3.32Å; L283-V308 HydrophobicContact CD1-CG1 3.73Å; L283-V308 HydrophobicContact CG-CG1 4.25Å; C284-V308 WeakPolarHBondContact O-CA 3.24Å; C284-V308 WeakPolarHBondContact O-CG1 3.48Å; F285-V308 HydrophobicContact CD1-CB 4.35Å; F285-V308 HydrophobicContact CD1-CG1 3.88Å; F285-V308 HydrophobicContact CD1-CG2 3.56Å; F285-V308 HydrophobicContact CE1-CG1 3.8Å; F285-V308 HydrophobicContact CE1-CG2 3.83Å; F285-V308 HydrophobicContact CG-CG1 4.36Å; F285-V308 HydrophobicContact CG-CG2 4.49Å; F285-V308 HydrophobicContact CZ-CG1 4.2Å; V308-L360 HydrophobicContact CB-CD1 4.43Å; V308-L360 HydrophobicContact CG1-CD1 4.21Å; V308-L360 HydrophobicContact CG2-CD1 4.05Å; V308-L362 HydrophobicContact CB-CD2 4.28Å; V308-L362 HydrophobicContact CG1-CD2 3.72Å; V308-L362 CarbonylContact O-C 3.58Å; V308-T363 PolarHBondContact N-OG1 3.09Å; V308-T363 PolarHBondContact O-N 2.91Å; V308-Y364 PolarHBondContact O-N 2.88Å
309F96Very high92Very high0 Ų050.4 Ų50.40%028%0.277CS..EExtended strand (participates in β ladder)trans-140158.3179.171.1-81.5000111.7Y274 C284 V286 L291 L303 V326 L334 Y364 L366Y274-F309 AromaticContact CD2-CE2 3.95Å; Y274-F309 HydrophobicContact CD2-CE2 3.95Å; Y274-F309 HydrophobicContact CE2-CE2 4.02Å; C284-F309 HydrophobicContact CB-CD1 3.88Å; C284-F309 HydrophobicContact CB-CD2 4.19Å; C284-F309 HydrophobicContact CB-CE1 3.41Å; C284-F309 VanDerWaalsContact CB-CE1 3.41Å; C284-F309 HydrophobicContact CB-CE2 3.75Å; C284-F309 HydrophobicContact CB-CG 4.26Å; C284-F309 HydrophobicContact CB-CZ 3.35Å; C284-F309 PolarHBondContact N-O 3.01Å; C284-F309 PolarHBondContact O-N 3.33Å; V286-F309 HydrophobicContact CG2-CD1 3.9Å; V286-F309 HydrophobicContact CG2-CE1 3.68Å; L291-F309 HydrophobicContact CD2-CE1 4.44Å; L291-F309 HydrophobicContact CD2-CZ 4.26Å; L303-F309 HydrophobicContact CD1-CB 3.76Å; L303-F309 HydrophobicContact CD1-CD1 3.59Å; L303-F309 HydrophobicContact CD1-CD2 4.36Å; L303-F309 HydrophobicContact CD1-CE1 4.25Å; L303-F309 HydrophobicContact CD1-CG 3.64Å; F309-V326 HydrophobicContact CD2-CG2 4.41Å; F309-V326 HydrophobicContact CE2-CG1 3.97Å; F309-V326 HydrophobicContact CE2-CG2 4.32Å; F309-V326 HydrophobicContact CZ-CG1 4.23Å; F309-L334 HydrophobicContact CE1-CD2 4.25Å; F309-L334 HydrophobicContact CZ-CD1 4.23Å; F309-Y364 WeakPolarHBondContact CA-O 3.15Å; F309-L366 HydrophobicContact CD2-CD1 4.24Å
310G94.3Very high91.8Very high0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans136.5-132.4-170.800000109.7Y364 L366G310-Y364 PolarHBondContact N-O 3.35Å; G310-L366 PolarHBondContact O-N 2.82Å
311D93.6Very high91.7Very high1 Ų152 Ų521%0.00528%0.278CS..  trans-144.5163.2-178.8-163.629.8000113.8V280 F313 E316 N365 R367V280-D311 HydrophobicContact CB-CB 4.49Å; V280-D311 HydrophobicContact CG1-CB 3.87Å; D311-F313 VanDerWaalsContact C-N 3.34Å; D311-F313 HydrophobicContact CB-CD1 4.18Å; D311-F313 HydrophobicContact CB-CE1 3.74Å; D311-F313 HydrophobicContact CB-CZ 4.33Å; D311-F313 PolarHBondContact O-N 3.01Å; D311-F313 VanDerWaalsContact O-N 3.13Å; D311-E316 VanDerWaalsContact OD1-OE2 3.14Å; D311-N365 PolarHBondContact OD1-ND2 3.45Å; D311-R367 IonicContact OD1-NE 3.1Å; D311-R367 IonicContact OD2-CZ 3.81Å; D311-R367 IonicContact OD2-NE 3.95Å; D311-R367 PolarHBondContact OD2-NE 3.28Å; D311-R367 IonicContact OD2-NH2 2.71Å; D311-R367 PolarHBondContact OD2-NH2 2.88Å
312V92.3Very high91.6Very high26 Ų2651 Ų5116%0.15827%0.271CS..  trans-92.364.8-170-167.20000111W314 K315 E316 L362V312-W314 HydrophobicContact CG1-CD2 4.12Å; V312-W314 HydrophobicContact CG1-CH2 4.19Å; V312-W314 HydrophobicContact CG1-CZ2 3.64Å; V312-W314 PolarHBondContact O-N 3.44Å; V312-K315 HydrophobicContact CG1-CB 4Å; V312-K315 HydrophobicContact CG1-CD 3.88Å; V312-K315 HydrophobicContact CG1-CG 3.87Å; V312-K315 PolarHBondContact O-N 3.43Å; V312-E316 PolarHBondContact O-N 3.04Å; V312-L362 HydrophobicContact CG2-CD1 3.57Å; V312-L362 HydrophobicContact CG2-CG 4.24Å
313F90.3Very high91.5Very high7 Ų747 Ų473%0.03125%0.252CS..THydrogen-bonded Turntrans-53-30.3-171.1-57.8-43.5000116.3V280 L283 D311 K315 R339 L342V280-F313 HydrophobicContact CG1-CZ 4.4Å; V280-F313 WeakPolarHBondContact O-CE1 3.28Å; L283-F313 HydrophobicContact CB-CD2 4.47Å; L283-F313 HydrophobicContact CB-CE2 3.89Å; D311-F313 VanDerWaalsContact C-N 3.34Å; D311-F313 HydrophobicContact CB-CD1 4.18Å; D311-F313 HydrophobicContact CB-CE1 3.74Å; D311-F313 HydrophobicContact CB-CZ 4.33Å; D311-F313 PolarHBondContact O-N 3.01Å; D311-F313 VanDerWaalsContact O-N 3.13Å; F313-K315 VanDerWaalsContact C-N 3.3Å; F313-K315 PolarHBondContact O-N 3.39Å; F313-R339 HydrophobicContact CB-CG 3.83Å; F313-R339 HydrophobicContact CD1-CB 4.14Å; F313-R339 HydrophobicContact CD1-CG 3.68Å; F313-R339 HydrophobicContact CD2-CB 3.85Å; F313-R339 HydrophobicContact CD2-CG 3.89Å; F313-R339 HydrophobicContact CE1-CB 4.16Å; F313-R339 HydrophobicContact CE1-CG 4.16Å; F313-R339 HydrophobicContact CE2-CB 3.86Å; F313-R339 HydrophobicContact CE2-CG 4.34Å; F313-R339 HydrophobicContact CG-CB 4Å; F313-R339 HydrophobicContact CG-CG 3.54Å; F313-R339 HydrophobicContact CZ-CB 4.04Å; F313-R339 HydrophobicContact CZ-CG 4.48Å; F313-L342 HydrophobicContact CD2-CD2 4.37Å
314W86.9Confident91.4Very high56 Ų5647 Ų4721%0.21225%0.252CS..THydrogen-bonded Turntrans-83.2-3.1-179.658.689.2000113.9L283 V312 L342 L346 F356 S357 L360L283-W314 HydrophobicContact CD2-CZ3 4.38Å; V312-W314 HydrophobicContact CG1-CD2 4.12Å; V312-W314 HydrophobicContact CG1-CH2 4.19Å; V312-W314 HydrophobicContact CG1-CZ2 3.64Å; V312-W314 PolarHBondContact O-N 3.44Å; W314-L342 HydrophobicContact CE3-CD2 4.39Å; W314-L342 HydrophobicContact CZ3-CD2 4.32Å; W314-L346 HydrophobicContact CB-CD1 3.99Å; W314-L346 HydrophobicContact CE3-CD1 4.42Å; W314-L346 HydrophobicContact CG-CD1 4.47Å; W314-F356 HydrophobicContact CD2-CD1 4.31Å; W314-F356 HydrophobicContact CD2-CE1 4.2Å; W314-F356 HydrophobicContact CE3-CD1 4.34Å; W314-F356 AromaticContact CE3-CE1 3.77Å; W314-F356 HydrophobicContact CE3-CE1 3.77Å; W314-F356 AromaticContact CH2-CE1 3.96Å; W314-F356 HydrophobicContact CH2-CE1 3.96Å; W314-F356 HydrophobicContact CZ2-CE1 4.32Å; W314-F356 HydrophobicContact CZ3-CD1 4.5Å; W314-F356 AromaticContact CZ3-CE1 3.67Å; W314-F356 HydrophobicContact CZ3-CE1 3.67Å; W314-F356 HydrophobicContact CZ3-CZ 4.43Å; W314-S357 VanDerWaalsContact CD1-CB 3.46Å; W314-S357 VanDerWaalsContact NE1-CA 3.33Å; W314-S357 VanDerWaalsContact NE1-CB 3.34Å; W314-S357 PolarHBondContact NE1-OG 2.95Å; W314-S357 VanDerWaalsContact NE1-OG 3.09Å; W314-L360 HydrophobicContact CH2-CB 4.41Å; W314-L360 HydrophobicContact CH2-CD2 3.51Å; W314-L360 HydrophobicContact CH2-CG 4.12Å; W314-L360 HydrophobicContact CZ2-CB 4.32Å; W314-L360 HydrophobicContact CZ2-CD2 4.22Å; W314-L360 HydrophobicContact CZ2-CG 4.49Å; W314-L360 HydrophobicContact CZ3-CD2 4.15Å
315K86.3Confident91.4Very high137 Ų13748 Ų4860%0.59625%0.253SS*.THydrogen-bonded Turntrans-112.6-30.8169.5-62.9-174.7-173172.10111.8V312 F313 S357V312-K315 HydrophobicContact CG1-CB 4Å; V312-K315 HydrophobicContact CG1-CD 3.88Å; V312-K315 HydrophobicContact CG1-CG 3.87Å; V312-K315 PolarHBondContact O-N 3.43Å; F313-K315 VanDerWaalsContact C-N 3.3Å; F313-K315 PolarHBondContact O-N 3.39Å; K315-S357 VanDerWaalsContact CE-OG 3.23Å; K315-S357 WeakPolarHBondContact CE-OG 3.38Å
316E82.3Confident91.4Very high54 Ų5442.2 Ų42.225%0.25223%0.227SC..  trans-116103.2-172.2-64.7173161.300110.3D311 V312 T318 R367D311-E316 VanDerWaalsContact OD1-OE2 3.14Å; V312-E316 PolarHBondContact O-N 3.04Å; E316-T318 VanDerWaalsContact C-N 3.33Å; E316-T318 PolarHBondContact O-N 3.01Å; E316-R367 VanDerWaalsContact OE2-CD 3.24Å; E316-R367 WeakPolarHBondContact OE2-CD 3.16Å; E316-R367 IonicContact OE2-CZ 2.74Å; E316-R367 IonicContact OE2-NE 2.67Å; E316-R367 PolarHBondContact OE2-NE 3.21Å; E316-R367 IonicContact OE2-NH2 3.21Å
317V78.2Confident91.5Very high117 Ų11745.3 Ų45.371%0.70923%0.23SC*.  trans-69.4-27.9-173-1770000113.1R339V317-R339 PolarHBondContact O-NH1 2.98Å
318T86.8Confident91.5Very high93 Ų9343.5 Ų43.557%0.57122%0.22SC*.SBendtrans-82.2147.9-177.5560000111.6E316 R367E316-T318 VanDerWaalsContact C-N 3.33Å; E316-T318 PolarHBondContact O-N 3.01Å; T318-R367 PolarHBondContact O-NH2 3.38Å; T318-R367 PolarHBondContact OG1-NH1 3.27Å; T318-R367 VanDerWaalsContact OG1-NH1 3.13Å
319L86.1Confident91.4Very high96 Ų9646.9 Ų46.950%0.50324%0.238SC..  trans-73.1140.2167.4-81.4153.2000110.2D281D281-L319 HydrophobicContact CB-CD2 4.34Å
320A90.3Very high91.3Very high12 Ų1249.5 Ų49.510%0.09925%0.254CS..  trans-110.4157.9174.500000112.6S279 V280 R367S279-A320 WeakPolarHBondContact CA-O 3.37Å; V280-A320 PolarHBondContact N-O 3.17Å; A320-R367 HydrophobicContact CB-CB 3.75Å; A320-R367 HydrophobicContact CB-CG 3.64Å; A320-R367 VanDerWaalsContact CB-CZ 3.41Å
321Q93.6Very high91.1Very high139 Ų13956.6 Ų56.665%0.6528%0.282SS*.BIsolated β-bridgetrans-85.7139.3166.2-67.3177-28.400109.9E278 C323E278-Q321 CarbonylContact O-C 3.59Å; E278-Q321 VanDerWaalsContact O-CA 3.3Å; E278-Q321 WeakPolarHBondContact O-CA 3.21Å; Q321-C323 PolarHBondContact O-N 3.17Å
322A93.9Very high91.1Very high3 Ų356.6 Ų56.63%0.02528%0.282CS..  trans-65124173.500000109.9A276 G277 E278 V280 A324A276-A322 CarbonylContact C-O 3.56Å; A276-A322 WeakPolarHBondContact CA-O 3.45Å; G277-A322 PolarHBondContact N-O 3.07Å; E278-A322 PolarHBondContact O-N 3.5Å; V280-A322 HydrophobicContact CG2-CB 3.74Å; A322-A324 VanDerWaalsContact C-N 3.28Å; A322-A324 PolarHBondContact O-N 3.09Å
323C93.7Very high91.1Very high30 Ų3057.3 Ų57.320%0.20329%0.285CS..SBendtrans-81.2-7.1178.4-72.40000113.4Q295 Q321 L366 R367 R369Q295-C323 PolarHBondContact NE2-O 3.27Å; Q321-C323 PolarHBondContact O-N 3.17Å; C323-L366 WeakPolarHBondContact CB-O 3.34Å; C323-L366 PolarHBondContact N-O 3.4Å; C323-R367 PolarHBondContact SG-O 2.9Å; C323-R369 HydrophobicContact CB-CB 4.19Å
324A95.3Very high91.4Very high0 Ų057 Ų570%028%0.283CS..SBendtrans-146.4154.5-174.700000110.8V293 I294 Q295 A322V293-A324 HydrophobicContact CG1-CB 3.51Å; I294-A324 WeakPolarHBondContact O-CA 3.38Å; I294-A324 WeakPolarHBondContact O-CB 3.41Å; Q295-A324 HydrophobicContact CB-CB 4.02Å; A322-A324 VanDerWaalsContact C-N 3.28Å; A322-A324 PolarHBondContact O-N 3.09Å
325N96.4Very high91.8Very high44 Ų4454.8 Ų54.824%0.23528%0.275CS..EExtended strand (participates in β ladder)trans-77.1145.1166.8-67.2-38.5000109.4L272 Y274 H275 A276 V293 I294L272-N325 HydrophobicContact CD2-CB 3.89Å; Y274-N325 CarbonylContact O-C 3.54Å; Y274-N325 WeakPolarHBondContact O-CA 3.48Å; H275-N325 WeakPolarHBondContact CA-OD1 3.36Å; A276-N325 PolarHBondContact N-OD1 2.76Å; V293-N325 CarbonylContact C-O 3.54Å; V293-N325 WeakPolarHBondContact CA-O 3.31Å; I294-N325 HydrophobicContact CB-CB 4.32Å; I294-N325 PolarHBondContact N-O 3.39Å; I294-N325 PolarHBondContact O-N 3.36Å
326V97.1Very high92.3Very high0 Ų048.7 Ų48.70%025%0.25CC..EExtended strand (participates in β ladder)trans-119.1121.9171-175.80000108.7L272 I273 Y274 L291 V293 F309 L366L272-V326 CarbonylContact C-O 3.59Å; L272-V326 VanDerWaalsContact CA-O 3.28Å; L272-V326 WeakPolarHBondContact CA-O 3.39Å; I273-V326 PolarHBondContact N-O 2.93Å; Y274-V326 HydrophobicContact CD2-CG2 4.46Å; Y274-V326 PolarHBondContact O-N 3.43Å; L291-V326 HydrophobicContact CB-CG1 4.37Å; L291-V326 HydrophobicContact CD2-CG1 3.91Å; V293-V326 HydrophobicContact CG1-CG2 4.46Å; V293-V326 HydrophobicContact CG2-CG2 4.35Å; F309-V326 HydrophobicContact CD2-CG2 4.41Å; F309-V326 HydrophobicContact CE2-CG1 3.97Å; F309-V326 HydrophobicContact CE2-CG2 4.32Å; F309-V326 HydrophobicContact CZ-CG1 4.23Å; V326-L366 HydrophobicContact CG2-CD1 4.45Å; V326-L366 HydrophobicContact CG2-CD2 3.7Å
327R96Very high93Very high94 Ų9446.1 Ų46.136%0.35524%0.238SC..EExtended strand (participates in β ladder)trans-122.5137.4-175.9-175.4166.568.4-170.60.4111.4D271 L272 L291 E292 I294D271-R327 CarbonylContact O-C 3.57Å; D271-R327 VanDerWaalsContact O-CA 3.28Å; D271-R327 WeakPolarHBondContact O-CA 3.36Å; L272-R327 HydrophobicContact CG-CB 4.34Å; L272-R327 HydrophobicContact CG-CG 4.46Å; L291-R327 CarbonylContact C-O 3.51Å; L291-R327 VanDerWaalsContact CA-O 3.25Å; L291-R327 WeakPolarHBondContact CA-O 3.49Å; L291-R327 WeakPolarHBondContact CB-O 3.4Å; E292-R327 HydrophobicContact CG-CB 4.05Å; E292-R327 PolarHBondContact N-O 3.04Å; E292-R327 PolarHBondContact O-N 3.46Å; E292-R327 IonicContact OE1-CZ 2.69Å; E292-R327 IonicContact OE1-NE 3.9Å; E292-R327 PolarHBondContact OE1-NE 2.9Å; E292-R327 IonicContact OE1-NH2 2.78Å; E292-R327 PolarHBondContact OE1-NH2 3.25Å; E292-R327 IonicContact OE2-NH2 3.13Å; I294-R327 HydrophobicContact CD1-CB 4.37Å
328A96.1Very high93.8Very high1 Ų145.1 Ų45.11%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-76.7132.2172.600000111C267 A268 G270 D271 I273C267-A328 HydrophobicContact CB-CB 4.09Å; A268-A328 WeakPolarHBondContact O-CB 3.45Å; G270-A328 PolarHBondContact N-O 3.23Å; D271-A328 PolarHBondContact O-N 3.09Å; I273-A328 HydrophobicContact CD1-CB 4.09Å
329L94.9Very high94.1Very high75 Ų7542.7 Ų42.739%0.39320%0.204SC..SBendtrans-90-33.1173.5-68171.8000111.8S290 E292S290-L329 WeakPolarHBondContact O-CB 3.49Å; S290-L329 PolarHBondContact O-N 2.8Å; E292-L329 HydrophobicContact CB-CD1 4.23Å; E292-L329 HydrophobicContact CB-CD2 4.45Å; E292-L329 HydrophobicContact CB-CG 4.28Å; E292-L329 VanDerWaalsContact CD-CD2 3.46Å; E292-L329 HydrophobicContact CG-CD2 4Å; E292-L329 HydrophobicContact CG-CG 4.16Å; E292-L329 WeakPolarHBondContact OE1-CD2 3.42Å
330T93.3Very high94.5Very high54 Ų5442.3 Ų42.333%0.33120%0.203SC..SBendtrans-121.6179.7178.761.90000110G289 S290 C332G289-T330 WeakPolarHBondContact CA-OG1 3.34Å; S290-T330 PolarHBondContact N-OG1 3.34Å; S290-T330 PolarHBondContact O-N 2.94Å; T330-C332 PolarHBondContact O-N 2.91Å; T330-C332 PolarHBondContact O-SG 3.46Å
331Y90.5Very high94.8Very high150 Ų15042.2 Ų42.259%0.58820%0.202SC*.  trans-58.5127.5156.3-66.9-79000108.5C267 A268 P269C267-Y331 WeakPolarHBondContact O-CA 3.38Å; A268-Y331 HydrophobicContact CB-CD1 4.3Å; A268-Y331 HydrophobicContact CB-CE1 3.93Å; P269-Y331 HydrophobicContact CG-CD2 4.08Å; P269-Y331 HydrophobicContact CG-CE2 3.98Å; P269-Y331 HydrophobicContact CG-CG 4.43Å
332C92.4Very high94.9Very high1 Ų135.7 Ų35.71%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-126134.9-174.9-63.10000110.8H266 C267 S288 S290 L291 T330H266-C332 WeakPolarHBondContact CA-O 3.37Å; C267-C332 HydrophobicContact CB-CB 4.39Å; C267-C332 PolarHBondContact N-O 3.18Å; C267-C332 PolarHBondContact O-N 3.46Å; S288-C332 WeakPolarHBondContact O-CA 3.24Å; S290-C332 PolarHBondContact N-SG 2.88Å; S290-C332 PolarHBondContact O-SG 2.97Å; L291-C332 HydrophobicContact CD1-CB 4.29Å; T330-C332 PolarHBondContact O-N 2.91Å; T330-C332 PolarHBondContact O-SG 3.46Å
333D93.1Very high94.9Very high40 Ų4038 Ų3821%0.21418%0.182CC..EExtended strand (participates in β ladder)trans-101.6113.1170.8-64.5-28.5000108.1H266 V287 S288H266-D333 IonicContact CE1-OD1 2.75Å; H266-D333 PolarHBondContact CE1-OD1 3.29Å; H266-D333 IonicContact CG-OD1 2.58Å; H266-D333 IonicContact ND1-OD1 3.4Å; H266-D333 PolarHBondContact ND1-OD1 2.9Å; V287-D333 HydrophobicContact CB-CB 4.48Å; V287-D333 WeakPolarHBondContact CB-O 3.33Å; V287-D333 PolarHBondContact N-O 3.47Å; S288-D333 WeakPolarHBondContact CB-OD2 3.36Å; S288-D333 PolarHBondContact N-O 2.97Å; S288-D333 PolarHBondContact O-N 2.88Å
334L95.4Very high94.9Very high0 Ų043.3 Ų43.30%020%0.201CC..EExtended strand (participates in β ladder)trans-109.2135.3177.8-59.5-176.8000109.9T264 I265 I273 F285 V286 L291 F309 V336T264-L334 CarbonylContact C-O 3.58Å; T264-L334 WeakPolarHBondContact CA-O 3.47Å; I265-L334 HydrophobicContact CB-CB 4.48Å; I265-L334 PolarHBondContact N-O 3.31Å; I265-L334 PolarHBondContact O-N 2.96Å; I273-L334 HydrophobicContact CG1-CD1 3.87Å; I273-L334 HydrophobicContact CG2-CD1 4.12Å; F285-L334 WeakPolarHBondContact O-CA 3.32Å; V286-L334 HydrophobicContact CB-CD2 4.27Å; V286-L334 HydrophobicContact CG1-CD2 4.31Å; V286-L334 HydrophobicContact CG2-CD2 3.9Å; L291-L334 HydrophobicContact CD1-CD2 4.04Å; L291-L334 HydrophobicContact CD2-CD1 4.2Å; L291-L334 HydrophobicContact CD2-CD2 4.27Å; F309-L334 HydrophobicContact CE1-CD2 4.25Å; F309-L334 HydrophobicContact CZ-CD1 4.23Å; L334-V336 HydrophobicContact CB-CG2 4.11Å
335H96.3Very high95Very high10 Ų1044 Ų445%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-106.7120.6168.6-75.4-124.6000107.6N237 V240 F262 T264 F285 V287N237-H335 PolarHBondContact OD1-CE1 3.4Å; N237-H335 PolarHBondContact OD1-ND1 3.47Å; V240-H335 HydrophobicContact CG2-CB 3.53Å; F262-H335 HydrophobicContact CD1-CB 4.18Å; F262-H335 HydrophobicContact CE1-CB 4.35Å; T264-H335 PolarHBondContact OG1-CE1 3.49Å; F285-H335 HydrophobicContact CB-CB 4.38Å; F285-H335 WeakPolarHBondContact CD2-O 3.42Å; F285-H335 PolarHBondContact N-O 3.48Å; F285-H335 PolarHBondContact O-N 3.26Å; V287-H335 HydrophobicContact CG2-CB 4.12Å; V287-H335 WeakPolarHBondContact CG2-CD2 3.22Å
336V96.3Very high94.9Very high9 Ų942.5 Ų42.56%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-121.8136-168.2-175.60000109.3Q263 I265 L283 C284 L334Q263-V336 PolarHBondContact N-O 2.96Å; Q263-V336 PolarHBondContact O-N 2.91Å; I265-V336 HydrophobicContact CD1-CB 4.2Å; I265-V336 HydrophobicContact CD1-CG2 3.79Å; I265-V336 HydrophobicContact CG1-CG2 4.1Å; L283-V336 WeakPolarHBondContact O-CA 3.49Å; C284-V336 HydrophobicContact CB-CG2 4.31Å; L334-V336 HydrophobicContact CB-CG2 4.11Å
337I96.8Very high94.8Very high1 Ų148.2 Ų48.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-127131.5172.7-170.1168.9000109.7L258 E261 F262 S282 L283 F285 L342L258-I337 HydrophobicContact CD2-CD1 3.91Å; E261-I337 HydrophobicContact CB-CD1 4.16Å; E261-I337 HydrophobicContact CB-CG1 4.28Å; F262-I337 HydrophobicContact CD1-CB 3.96Å; F262-I337 HydrophobicContact CD2-CD1 4.19Å; F262-I337 HydrophobicContact CE1-CB 3.83Å; F262-I337 HydrophobicContact CE1-CG2 3.97Å; F262-I337 HydrophobicContact CE2-CB 4.47Å; F262-I337 HydrophobicContact CE2-CD1 4.06Å; F262-I337 HydrophobicContact CG-CB 4.34Å; F262-I337 HydrophobicContact CZ-CB 4.1Å; F262-I337 HydrophobicContact CZ-CD1 4.43Å; F262-I337 HydrophobicContact CZ-CG2 4Å; S282-I337 WeakPolarHBondContact CA-O 3.41Å; L283-I337 HydrophobicContact CB-CG2 4.05Å; L283-I337 HydrophobicContact CD2-CG2 4.33Å; L283-I337 PolarHBondContact N-O 3.37Å; L283-I337 PolarHBondContact O-N 3.28Å; F285-I337 HydrophobicContact CE2-CG2 4.22Å; I337-L342 HydrophobicContact CD1-CB 3.99Å; I337-L342 HydrophobicContact CD1-CD1 4.2Å; I337-L342 HydrophobicContact CG1-CB 4.1Å; I337-L342 HydrophobicContact CG2-CB 4.37Å; I337-L342 HydrophobicContact CG2-CD2 4.29Å
338K95.8Very high94.8Very high95 Ų9551.2 Ų51.241%0.41324%0.24SC..EExtended strand (participates in β ladder)trans-70.6144.5179.2-69-165.2165.3-1000111.2D281 D340 A341 L342D281-K338 IonicContact OD2-NZ 2.68Å; D281-K338 PolarHBondContact OD2-NZ 3.47Å; K338-D340 PolarHBondContact O-N 3.02Å; K338-A341 HydrophobicContact CB-CB 4.41Å; K338-A341 PolarHBondContact O-N 3.37Å; K338-L342 PolarHBondContact O-N 2.99Å
339R93.9Very high94.7Very high43 Ų4354 Ų5416%0.16225%0.251CS..Hα-helixtrans-46.8-59177.4179.7-174.387.1133.113.4112D281 F313 V317 A341 L342 Q343D281-R339 WeakPolarHBondContact O-CB 3.29Å; D281-R339 PolarHBondContact O-N 3.33Å; F313-R339 HydrophobicContact CB-CG 3.83Å; F313-R339 HydrophobicContact CD1-CB 4.14Å; F313-R339 HydrophobicContact CD1-CG 3.68Å; F313-R339 HydrophobicContact CD2-CB 3.85Å; F313-R339 HydrophobicContact CD2-CG 3.89Å; F313-R339 HydrophobicContact CE1-CB 4.16Å; F313-R339 HydrophobicContact CE1-CG 4.16Å; F313-R339 HydrophobicContact CE2-CB 3.86Å; F313-R339 HydrophobicContact CE2-CG 4.34Å; F313-R339 HydrophobicContact CG-CB 4Å; F313-R339 HydrophobicContact CG-CG 3.54Å; F313-R339 HydrophobicContact CZ-CB 4.04Å; F313-R339 HydrophobicContact CZ-CG 4.48Å; V317-R339 PolarHBondContact O-NH1 2.98Å; R339-A341 PolarHBondContact O-N 2.93Å; R339-L342 PolarHBondContact O-N 3.34Å; R339-Q343 WeakPolarHBondContact O-CB 3.44Å; R339-Q343 PolarHBondContact O-N 2.91Å
340D94Very high94.6Very high87 Ų8755 Ų5547%0.46526%0.26SS..Hα-helixtrans-67.2-25.8-171.2-56.3-21.4000112.3K338 K344K338-D340 PolarHBondContact O-N 3.02Å; D340-K344 VanDerWaalsContact O-CD 3.27Å; D340-K344 WeakPolarHBondContact O-CD 3.38Å; D340-K344 WeakPolarHBondContact O-CG 3.35Å; D340-K344 PolarHBondContact O-N 3.23Å
341A95.8Very high94.6Very high10 Ų1056.5 Ų56.58%0.08328%0.278CS..Hα-helixtrans-77.7-50.2175.100000111.3E261 K338 R339 Q343 K344 V345E261-A341 HydrophobicContact CB-CB 3.88Å; E261-A341 HydrophobicContact CG-CB 3.93Å; E261-A341 WeakPolarHBondContact OE2-CB 3.45Å; K338-A341 HydrophobicContact CB-CB 4.41Å; K338-A341 PolarHBondContact O-N 3.37Å; R339-A341 PolarHBondContact O-N 2.93Å; A341-Q343 VanDerWaalsContact C-N 3.27Å; A341-Q343 PolarHBondContact O-N 3.3Å; A341-K344 PolarHBondContact O-N 2.9Å; A341-V345 WeakPolarHBondContact O-CG2 3.42Å; A341-V345 PolarHBondContact O-N 2.96Å
342L95.3Very high94.8Very high3 Ų349.9 Ų49.92%0.01625%0.252CS..Hα-helixtrans-55.1-45.6173.417661.4000110.9L258 L283 F313 W314 I337 K338 R339 V345 L346 F356L258-L342 HydrophobicContact CD2-CD1 3.92Å; L283-L342 HydrophobicContact CD2-CD2 3.86Å; F313-L342 HydrophobicContact CD2-CD2 4.37Å; W314-L342 HydrophobicContact CE3-CD2 4.39Å; W314-L342 HydrophobicContact CZ3-CD2 4.32Å; I337-L342 HydrophobicContact CD1-CB 3.99Å; I337-L342 HydrophobicContact CD1-CD1 4.2Å; I337-L342 HydrophobicContact CG1-CB 4.1Å; I337-L342 HydrophobicContact CG2-CB 4.37Å; I337-L342 HydrophobicContact CG2-CD2 4.29Å; K338-L342 PolarHBondContact O-N 2.99Å; R339-L342 PolarHBondContact O-N 3.34Å; L342-V345 PolarHBondContact O-N 3.22Å; L342-L346 HydrophobicContact CD1-CD1 3.96Å; L342-L346 HydrophobicContact CD1-CD2 4.42Å; L342-L346 HydrophobicContact CD1-CG 4.02Å; L342-L346 HydrophobicContact CD2-CD1 4.46Å; L342-L346 HydrophobicContact CG-CD1 3.83Å; L342-L346 HydrophobicContact CG-CG 4.29Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.36Å; L342-L346 PolarHBondContact O-N 3.44Å; L342-F356 HydrophobicContact CD1-CE1 4.11Å; L342-F356 HydrophobicContact CD1-CZ 3.95Å; L342-F356 HydrophobicContact CD2-CE1 4.16Å; L342-F356 HydrophobicContact CD2-CZ 4.22Å
343Q94Very high94.8Very high50 Ų5050.9 Ų50.923%0.23426%0.26CS..Hα-helixtrans-62.9-45.6-177.4-171171.2-10.200112R339 A341 V345 L346 E347R339-Q343 WeakPolarHBondContact O-CB 3.44Å; R339-Q343 PolarHBondContact O-N 2.91Å; A341-Q343 VanDerWaalsContact C-N 3.27Å; A341-Q343 PolarHBondContact O-N 3.3Å; Q343-V345 VanDerWaalsContact C-N 3.29Å; Q343-V345 PolarHBondContact O-N 3.39Å; Q343-L346 PolarHBondContact O-N 2.94Å; Q343-E347 HydrophobicContact CG-CG 4.49Å; Q343-E347 WeakPolarHBondContact CG-OE1 3.29Å; Q343-E347 PolarHBondContact NE2-OE1 3.23Å; Q343-E347 WeakPolarHBondContact O-CB 3.43Å; Q343-E347 VanDerWaalsContact O-CG 3.31Å; Q343-E347 WeakPolarHBondContact O-CG 3.41Å; Q343-E347 PolarHBondContact O-N 2.83Å
344K95.1Very high94.8Very high143 Ų14354.5 Ų54.562%0.62228%0.28SS*.Hα-helixtrans-56.2-40.8172.5-73.6164.5-170.2170.50112.8D340 A341 F348D340-K344 VanDerWaalsContact O-CD 3.27Å; D340-K344 WeakPolarHBondContact O-CD 3.38Å; D340-K344 WeakPolarHBondContact O-CG 3.35Å; D340-K344 PolarHBondContact O-N 3.23Å; A341-K344 PolarHBondContact O-N 2.9Å; K344-F348 WeakPolarHBondContact O-CB 3.29Å; K344-F348 PolarHBondContact O-N 2.85Å
345V95.9Very high94.7Very high14 Ų1456.4 Ų56.49%0.08529%0.289CS..Hα-helixtrans-71.1-38.8179.9179.80000111.1A257 L258 A341 L342 Q343 F348 Y349A257-V345 HydrophobicContact CB-CG1 4.17Å; A257-V345 HydrophobicContact CB-CG2 4.37Å; L258-V345 HydrophobicContact CD2-CB 4.17Å; L258-V345 HydrophobicContact CD2-CG1 3.76Å; L258-V345 HydrophobicContact CG-CG1 3.91Å; A341-V345 WeakPolarHBondContact O-CG2 3.42Å; A341-V345 PolarHBondContact O-N 2.96Å; L342-V345 PolarHBondContact O-N 3.22Å; Q343-V345 VanDerWaalsContact C-N 3.29Å; Q343-V345 PolarHBondContact O-N 3.39Å; V345-F348 PolarHBondContact O-N 2.73Å; V345-Y349 HydrophobicContact CG1-CD2 3.77Å; V345-Y349 HydrophobicContact CG1-CE2 4.17Å; V345-Y349 WeakPolarHBondContact O-CD2 3.29Å; V345-Y349 PolarHBondContact O-N 2.98Å
346L94.5Very high94.6Very high12 Ų1256 Ų566%0.06329%0.286CS..Hα-helixtrans-67.9-38.6175-65.3174.3000112.2W314 L342 Q343 Y349 T350 F352 A353 F356W314-L346 HydrophobicContact CB-CD1 3.99Å; W314-L346 HydrophobicContact CE3-CD1 4.42Å; W314-L346 HydrophobicContact CG-CD1 4.47Å; L342-L346 HydrophobicContact CD1-CD1 3.96Å; L342-L346 HydrophobicContact CD1-CD2 4.42Å; L342-L346 HydrophobicContact CD1-CG 4.02Å; L342-L346 HydrophobicContact CD2-CD1 4.46Å; L342-L346 HydrophobicContact CG-CD1 3.83Å; L342-L346 HydrophobicContact CG-CG 4.29Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.36Å; L342-L346 PolarHBondContact O-N 3.44Å; Q343-L346 PolarHBondContact O-N 2.94Å; L346-Y349 CarbonylContact O-C 3.56Å; L346-Y349 PolarHBondContact O-N 2.72Å; L346-T350 PolarHBondContact O-N 3.14Å; L346-F352 HydrophobicContact CD2-CD1 4.01Å; L346-F352 HydrophobicContact CD2-CE1 4.01Å; L346-A353 HydrophobicContact CB-CB 3.95Å; L346-A353 HydrophobicContact CD2-CB 4.04Å; L346-A353 WeakPolarHBondContact O-CB 3.32Å; L346-F356 HydrophobicContact CD1-CD1 3.92Å; L346-F356 HydrophobicContact CD1-CE1 3.97Å; L346-F356 HydrophobicContact CD2-CB 4.1Å; L346-F356 HydrophobicContact CD2-CD1 3.67Å; L346-F356 HydrophobicContact CD2-CE1 4.23Å; L346-F356 HydrophobicContact CD2-CG 3.94Å; L346-F356 HydrophobicContact CG-CD1 4.47Å
347E94.7Very high94.5Very high121 Ų12157 Ų5757%0.56529%0.294SS*.Hα-helixtrans-63.9-38.6174.3-74.8169.5-173.700111.9Q343 T350Q343-E347 HydrophobicContact CG-CG 4.49Å; Q343-E347 WeakPolarHBondContact CG-OE1 3.29Å; Q343-E347 PolarHBondContact NE2-OE1 3.23Å; Q343-E347 WeakPolarHBondContact O-CB 3.43Å; Q343-E347 VanDerWaalsContact O-CG 3.31Å; Q343-E347 WeakPolarHBondContact O-CG 3.41Å; Q343-E347 PolarHBondContact O-N 2.83Å; E347-T350 VanDerWaalsContact O-CG2 3.29Å; E347-T350 WeakPolarHBondContact O-CG2 3.21Å
348F95.9Very high94.2Very high156 Ų15666.8 Ų66.868%0.68433%0.331SS*.Hα-helixtrans-72.8-41.4175.6-171.3-92.3000112.7K344 V345K344-F348 WeakPolarHBondContact O-CB 3.29Å; K344-F348 PolarHBondContact O-N 2.85Å; V345-F348 PolarHBondContact O-N 2.73Å
349Y95.7Very high94.1Very high61 Ų6165.3 Ų65.324%0.23933%0.328CS..THydrogen-bonded Turntrans-102.161.2179.8-64.6-74.9000112.2G253 C254 A257 V345 L346 A351 F352 A353G253-Y349 PolarHBondContact O-OH 3Å; C254-Y349 HydrophobicContact CB-CD1 4.11Å; C254-Y349 HydrophobicContact CB-CD2 3.9Å; C254-Y349 HydrophobicContact CB-CE1 4.13Å; C254-Y349 HydrophobicContact CB-CE2 3.92Å; C254-Y349 HydrophobicContact CB-CG 4Å; A257-Y349 HydrophobicContact CB-CE2 3.95Å; V345-Y349 HydrophobicContact CG1-CD2 3.77Å; V345-Y349 HydrophobicContact CG1-CE2 4.17Å; V345-Y349 WeakPolarHBondContact O-CD2 3.29Å; V345-Y349 PolarHBondContact O-N 2.98Å; L346-Y349 CarbonylContact O-C 3.56Å; L346-Y349 PolarHBondContact O-N 2.72Å; Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 3.25Å; Y349-A351 VanDerWaalsContact O-N 3.14Å; Y349-F352 WeakPolarHBondContact O-CA 3.26Å; Y349-F352 WeakPolarHBondContact O-CB 3.4Å; Y349-F352 PolarHBondContact O-N 2.94Å; Y349-A353 PolarHBondContact O-N 3.34Å
350T92.8Very high94.1Very high94 Ų9463.9 Ų63.958%0.57732%0.323SS*.Hα-helixtrans-51.6-39.4-175.658.90000114.7L346 E347 F352 A353 N354L346-T350 PolarHBondContact O-N 3.14Å; E347-T350 VanDerWaalsContact O-CG2 3.29Å; E347-T350 WeakPolarHBondContact O-CG2 3.21Å; T350-F352 VanDerWaalsContact C-N 3.33Å; T350-F352 PolarHBondContact O-N 2.98Å; T350-A353 PolarHBondContact O-N 3.29Å; T350-N354 PolarHBondContact O-N 2.93Å
351A91.5Very high94.1Very high86 Ų8666.5 Ų66.571%0.71134%0.336SS*.Hα-helixtrans-63.1-37.6176.100000112.7Y349Y349-A351 VanDerWaalsContact C-N 3.28Å; Y349-A351 PolarHBondContact O-N 3.25Å; Y349-A351 VanDerWaalsContact O-N 3.14Å
352F94.9Very high94Very high12 Ų1267.7 Ų67.75%0.05334%0.341CS..Hα-helixtrans-74-36.5174.5173.5-107.3000111.7A246 F247 A250 C254 L258 L346 Y349 T350 N354 H355 F356A246-F352 WeakPolarHBondContact O-CE2 3.12Å; F247-F352 HydrophobicContact CD1-CZ 4.02Å; A250-F352 HydrophobicContact CB-CD2 3.94Å; A250-F352 HydrophobicContact CB-CE2 3.57Å; A250-F352 HydrophobicContact CB-CZ 4.09Å; C254-F352 VanDerWaalsContact SG-CD1 3.52Å; L258-F352 HydrophobicContact CD1-CE1 4.14Å; L258-F352 HydrophobicContact CD1-CZ 4.39Å; L346-F352 HydrophobicContact CD2-CD1 4.01Å; L346-F352 HydrophobicContact CD2-CE1 4.01Å; Y349-F352 WeakPolarHBondContact O-CA 3.26Å; Y349-F352 WeakPolarHBondContact O-CB 3.4Å; Y349-F352 PolarHBondContact O-N 2.94Å; T350-F352 VanDerWaalsContact C-N 3.33Å; T350-F352 PolarHBondContact O-N 2.98Å; F352-N354 VanDerWaalsContact C-N 3.29Å; F352-N354 PolarHBondContact O-N 3.43Å; F352-H355 CarbonylContact O-C 3.57Å; F352-H355 WeakPolarHBondContact O-CA 3.33Å; F352-H355 WeakPolarHBondContact O-CB 3.41Å; F352-H355 PolarHBondContact O-N 3.15Å; F352-F356 HydrophobicContact CD1-CB 4.39Å; F352-F356 HydrophobicContact CE1-CB 3.96Å; F352-F356 AromaticContact CE1-CD2 3.89Å; F352-F356 HydrophobicContact CE1-CD2 3.89Å; F352-F356 HydrophobicContact CE1-CG 4.11Å; F352-F356 HydrophobicContact CE2-CB 4.47Å; F352-F356 HydrophobicContact CZ-CB 4.01Å; F352-F356 AromaticContact CZ-CD2 3.66Å; F352-F356 HydrophobicContact CZ-CD2 3.66Å; F352-F356 HydrophobicContact CZ-CG 4.19Å; F352-F356 WeakPolarHBondContact O-CB 3.32Å; F352-F356 PolarHBondContact O-N 3.49Å
353A94.1Very high94Very high21 Ų2171 Ų7117%0.17436%0.361CS..Hα-helixtrans-57.6-39.3-178.300000113.4L346 Y349 T350 F356 S357L346-A353 HydrophobicContact CB-CB 3.95Å; L346-A353 HydrophobicContact CD2-CB 4.04Å; L346-A353 WeakPolarHBondContact O-CB 3.32Å; Y349-A353 PolarHBondContact O-N 3.34Å; T350-A353 PolarHBondContact O-N 3.29Å; A353-F356 PolarHBondContact O-N 2.94Å; A353-S357 VanDerWaalsContact O-CB 3.24Å; A353-S357 WeakPolarHBondContact O-CB 3.46Å; A353-S357 PolarHBondContact O-N 3.43Å
354N91.4Very high94.1Very high117 Ų11769.4 Ų69.463%0.62635%0.353SS*.Hα-helixtrans-65.3-37.9174.3-72-37.4000112.8T350 F352 R358T350-N354 PolarHBondContact O-N 2.93Å; F352-N354 VanDerWaalsContact C-N 3.29Å; F352-N354 PolarHBondContact O-N 3.43Å; N354-R358 WeakPolarHBondContact O-CG 3.4Å; N354-R358 PolarHBondContact O-N 3.36Å
355H93.7Very high94.1Very high40 Ų4063.6 Ų63.619%0.18533%0.329CS..Hα-helixtrans-68.2-45.2174.6179.5-85.1000111.5A246 L249 F352 R358 N359A246-H355 PolarHBondContact O-ND1 3.45Å; L249-H355 VanDerWaalsContact CB-CE1 3.49Å; L249-H355 WeakPolarHBondContact CB-CE1 3.25Å; L249-H355 WeakPolarHBondContact CB-NE2 3.39Å; F352-H355 CarbonylContact O-C 3.57Å; F352-H355 WeakPolarHBondContact O-CA 3.33Å; F352-H355 WeakPolarHBondContact O-CB 3.41Å; F352-H355 PolarHBondContact O-N 3.15Å; H355-R358 PolarHBondContact O-N 2.97Å; H355-N359 PolarHBondContact CD2-ND2 2.92Å; H355-N359 VanDerWaalsContact CD2-ND2 3.3Å; H355-N359 PolarHBondContact CE1-ND2 2.83Å; H355-N359 VanDerWaalsContact CE1-ND2 3.28Å; H355-N359 PolarHBondContact NE2-ND2 2.99Å; H355-N359 VanDerWaalsContact NE2-ND2 3.11Å; H355-N359 WeakPolarHBondContact O-CB 3.5Å; H355-N359 PolarHBondContact O-N 3.48Å; H355-N359 VanDerWaalsContact O-N 3.09Å; H355-N359 PolarHBondContact O-ND2 3.48Å
356F95.1Very high94Very high0 Ų063 Ų630%033%0.325CS..Hα-helixtrans-59.9-48.7178.2-174.2-103.5000111.3A246 F247 L283 W314 L342 L346 F352 A353 R358 N359 L360A246-F356 HydrophobicContact CB-CD2 3.91Å; A246-F356 HydrophobicContact CB-CE2 4.18Å; F247-F356 HydrophobicContact CD1-CE2 4.38Å; F247-F356 HydrophobicContact CE1-CD2 4.22Å; F247-F356 AromaticContact CE1-CE2 3.6Å; F247-F356 HydrophobicContact CE1-CE2 3.6Å; F247-F356 AromaticContact CZ-CE2 3.78Å; F247-F356 HydrophobicContact CZ-CE2 3.78Å; L283-F356 HydrophobicContact CD2-CZ 4.41Å; W314-F356 HydrophobicContact CD2-CD1 4.31Å; W314-F356 HydrophobicContact CD2-CE1 4.2Å; W314-F356 HydrophobicContact CE3-CD1 4.34Å; W314-F356 AromaticContact CE3-CE1 3.77Å; W314-F356 HydrophobicContact CE3-CE1 3.77Å; W314-F356 AromaticContact CH2-CE1 3.96Å; W314-F356 HydrophobicContact CH2-CE1 3.96Å; W314-F356 HydrophobicContact CZ2-CE1 4.32Å; W314-F356 HydrophobicContact CZ3-CD1 4.5Å; W314-F356 AromaticContact CZ3-CE1 3.67Å; W314-F356 HydrophobicContact CZ3-CE1 3.67Å; W314-F356 HydrophobicContact CZ3-CZ 4.43Å; L342-F356 HydrophobicContact CD1-CE1 4.11Å; L342-F356 HydrophobicContact CD1-CZ 3.95Å; L342-F356 HydrophobicContact CD2-CE1 4.16Å; L342-F356 HydrophobicContact CD2-CZ 4.22Å; L346-F356 HydrophobicContact CD1-CD1 3.92Å; L346-F356 HydrophobicContact CD1-CE1 3.97Å; L346-F356 HydrophobicContact CD2-CB 4.1Å; L346-F356 HydrophobicContact CD2-CD1 3.67Å; L346-F356 HydrophobicContact CD2-CE1 4.23Å; L346-F356 HydrophobicContact CD2-CG 3.94Å; L346-F356 HydrophobicContact CG-CD1 4.47Å; F352-F356 HydrophobicContact CD1-CB 4.39Å; F352-F356 HydrophobicContact CE1-CB 3.96Å; F352-F356 AromaticContact CE1-CD2 3.89Å; F352-F356 HydrophobicContact CE1-CD2 3.89Å; F352-F356 HydrophobicContact CE1-CG 4.11Å; F352-F356 HydrophobicContact CE2-CB 4.47Å; F352-F356 HydrophobicContact CZ-CB 4.01Å; F352-F356 AromaticContact CZ-CD2 3.66Å; F352-F356 HydrophobicContact CZ-CD2 3.66Å; F352-F356 HydrophobicContact CZ-CG 4.19Å; F352-F356 WeakPolarHBondContact O-CB 3.32Å; F352-F356 PolarHBondContact O-N 3.49Å; A353-F356 PolarHBondContact O-N 2.94Å; F356-R358 PolarHBondContact O-N 2.9Å; F356-N359 PolarHBondContact O-N 2.73Å; F356-L360 HydrophobicContact CE1-CD2 3.71Å; F356-L360 HydrophobicContact CE2-CB 4.49Å; F356-L360 HydrophobicContact CE2-CD2 3.69Å; F356-L360 HydrophobicContact CZ-CD2 3.23Å; F356-L360 HydrophobicContact CZ-CG 4.48Å; F356-L360 VanDerWaalsContact O-CB 3.29Å; F356-L360 WeakPolarHBondContact O-CB 3.38Å; F356-L360 PolarHBondContact O-N 3.3Å
357S92.9Very high93.8Very high31 Ų3165 Ų6522%0.21733%0.332CS..Hα-helixtrans-62.5-25.4180-178.20000114.9W314 K315 A353W314-S357 VanDerWaalsContact CD1-CB 3.46Å; W314-S357 VanDerWaalsContact NE1-CA 3.33Å; W314-S357 VanDerWaalsContact NE1-CB 3.34Å; W314-S357 PolarHBondContact NE1-OG 2.95Å; W314-S357 VanDerWaalsContact NE1-OG 3.09Å; K315-S357 VanDerWaalsContact CE-OG 3.23Å; K315-S357 WeakPolarHBondContact CE-OG 3.38Å; A353-S357 VanDerWaalsContact O-CB 3.24Å; A353-S357 WeakPolarHBondContact O-CB 3.46Å; A353-S357 PolarHBondContact O-N 3.43Å
358R91.9Very high93.6Very high207 Ų20765.5 Ų65.578%0.78133%0.333SS*.Hα-helixtrans-88.1-34.4177.5-73.717661.3176.8-0.8113.5N354 H355 F356N354-R358 WeakPolarHBondContact O-CG 3.4Å; N354-R358 PolarHBondContact O-N 3.36Å; H355-R358 PolarHBondContact O-N 2.97Å; F356-R358 PolarHBondContact O-N 2.9Å
359N93.7Very high93.3Very high64 Ų6464.9 Ų64.934%0.34233%0.326SS..Hα-helixtrans-104-16.2-171-66.9-63000114.1H355 F356 L361H355-N359 PolarHBondContact CD2-ND2 2.92Å; H355-N359 VanDerWaalsContact CD2-ND2 3.3Å; H355-N359 PolarHBondContact CE1-ND2 2.83Å; H355-N359 VanDerWaalsContact CE1-ND2 3.28Å; H355-N359 PolarHBondContact NE2-ND2 2.99Å; H355-N359 VanDerWaalsContact NE2-ND2 3.11Å; H355-N359 WeakPolarHBondContact O-CB 3.5Å; H355-N359 PolarHBondContact O-N 3.48Å; H355-N359 VanDerWaalsContact O-N 3.09Å; H355-N359 PolarHBondContact O-ND2 3.48Å; F356-N359 PolarHBondContact O-N 2.73Å; N359-L361 PolarHBondContact O-N 2.91Å
360L94.1Very high93.1Very high12 Ų1265.4 Ų65.46%0.06333%0.332CS..  trans-87.998.5172.2-171.160.1000110.4A246 L283 F285 V308 W314 F356A246-L360 HydrophobicContact CB-CB 3.78Å; A246-L360 HydrophobicContact CB-CD1 4.11Å; A246-L360 HydrophobicContact CB-CG 4.46Å; L283-L360 HydrophobicContact CD2-CD2 3.85Å; F285-L360 HydrophobicContact CE1-CD1 4.01Å; F285-L360 HydrophobicContact CZ-CD2 4.29Å; V308-L360 HydrophobicContact CB-CD1 4.43Å; V308-L360 HydrophobicContact CG1-CD1 4.21Å; V308-L360 HydrophobicContact CG2-CD1 4.05Å; W314-L360 HydrophobicContact CH2-CB 4.41Å; W314-L360 HydrophobicContact CH2-CD2 3.51Å; W314-L360 HydrophobicContact CH2-CG 4.12Å; W314-L360 HydrophobicContact CZ2-CB 4.32Å; W314-L360 HydrophobicContact CZ2-CD2 4.22Å; W314-L360 HydrophobicContact CZ2-CG 4.49Å; W314-L360 HydrophobicContact CZ3-CD2 4.15Å; F356-L360 HydrophobicContact CE1-CD2 3.71Å; F356-L360 HydrophobicContact CE2-CB 4.49Å; F356-L360 HydrophobicContact CE2-CD2 3.69Å; F356-L360 HydrophobicContact CZ-CD2 3.23Å; F356-L360 HydrophobicContact CZ-CG 4.48Å; F356-L360 VanDerWaalsContact O-CB 3.29Å; F356-L360 WeakPolarHBondContact O-CB 3.38Å; F356-L360 PolarHBondContact O-N 3.3Å
361L92.4Very high93Very high143 Ų14367.4 Ų67.475%0.74934%0.344SS*.  trans-92.6130.3167.3-58.5177000108.5N359N359-L361 PolarHBondContact O-N 2.91Å
362L94.4Very high93Very high35 Ų3566.9 Ų66.918%0.18333%0.325CS..  trans-79.8128.5170.1-58.7-177.9000108.9L283 V308 V312 Y364 N365L283-L362 HydrophobicContact CD1-CD2 3.52Å; V308-L362 HydrophobicContact CB-CD2 4.28Å; V308-L362 HydrophobicContact CG1-CD2 3.72Å; V308-L362 CarbonylContact O-C 3.58Å; V312-L362 HydrophobicContact CG2-CD1 3.57Å; V312-L362 HydrophobicContact CG2-CG 4.24Å; L362-Y364 VanDerWaalsContact C-N 3.27Å; L362-N365 HydrophobicContact CD1-CB 4.27Å
363T95.4Very high92.8Very high71 Ų7174.7 Ų74.744%0.43635%0.354SS..SBendtrans-61.4-40.6169.4-470000110.2L303 D307 V308L303-T363 HydrophobicContact CD2-CG2 3.68Å; D307-T363 HydrophobicContact CB-CG2 4.23Å; D307-T363 WeakPolarHBondContact CB-OG1 3.5Å; D307-T363 WeakPolarHBondContact OD1-CB 3.34Å; D307-T363 WeakPolarHBondContact OD1-CG2 3.23Å; D307-T363 PolarHBondContact OD1-OG1 3.38Å; V308-T363 PolarHBondContact N-OG1 3.09Å; V308-T363 PolarHBondContact O-N 2.91Å
364Y95.6Very high92.6Very high17 Ų1776.1 Ų76.17%0.06736%0.357CS..EExtended strand (participates in β ladder)trans-140127.5174-163.6-83.7000111.8V293 V300 A301 V308 F309 G310 L362 L366 I370V293-Y364 HydrophobicContact CG1-CD1 4.1Å; V293-Y364 HydrophobicContact CG1-CE1 3.75Å; V293-Y364 HydrophobicContact CG1-CE2 4.17Å; V293-Y364 HydrophobicContact CG1-CG 4.48Å; V293-Y364 HydrophobicContact CG2-CD1 4.5Å; V293-Y364 HydrophobicContact CG2-CG 4.33Å; V300-Y364 HydrophobicContact CG2-CE2 3.85Å; A301-Y364 HydrophobicContact CB-CD2 3.59Å; A301-Y364 HydrophobicContact CB-CE2 4.05Å; A301-Y364 HydrophobicContact CB-CG 4.47Å; V308-Y364 PolarHBondContact O-N 2.88Å; F309-Y364 WeakPolarHBondContact CA-O 3.15Å; G310-Y364 PolarHBondContact N-O 3.35Å; L362-Y364 VanDerWaalsContact C-N 3.27Å; Y364-L366 HydrophobicContact CD1-CD2 3.85Å; Y364-L366 HydrophobicContact CD1-CG 4.46Å; Y364-L366 HydrophobicContact CE1-CD2 3.95Å; Y364-I370 HydrophobicContact CE2-CD1 3.73Å
365N94.8Very high92.6Very high22 Ų2277.7 Ų77.712%0.11836%0.364CS..EExtended strand (participates in β ladder)trans-97.5118.8174.6174.8-76.2000109.7D311 L362 R367 K368D311-N365 PolarHBondContact OD1-ND2 3.45Å; L362-N365 HydrophobicContact CD1-CB 4.27Å; N365-R367 PolarHBondContact O-N 2.85Å; N365-R367 WeakPolarHBondContact OD1-CA 3.47Å; N365-R367 WeakPolarHBondContact OD1-CB 3.22Å; N365-R367 PolarHBondContact OD1-N 3.29Å; N365-K368 HydrophobicContact CB-CD 4.49Å; N365-K368 WeakPolarHBondContact OD1-CG 3.42Å; N365-K368 PolarHBondContact OD1-N 2.68Å
366L93.6Very high92.3Very high0 Ų079.3 Ų79.30%038%0.38CS..THydrogen-bonded Turntrans-75.1-20.4-175.4-68.3176.7000114Y274 V280 F309 G310 C323 V326 Y364Y274-L366 HydrophobicContact CD2-CD1 3.62Å; Y274-L366 HydrophobicContact CE2-CD1 3.95Å; Y274-L366 HydrophobicContact CG-CD1 4Å; V280-L366 HydrophobicContact CG1-CB 4.44Å; V280-L366 HydrophobicContact CG1-CD1 4.17Å; V280-L366 HydrophobicContact CG2-CB 3.75Å; V280-L366 HydrophobicContact CG2-CD1 4.05Å; F309-L366 HydrophobicContact CD2-CD1 4.24Å; G310-L366 PolarHBondContact O-N 2.82Å; C323-L366 WeakPolarHBondContact CB-O 3.34Å; C323-L366 PolarHBondContact N-O 3.4Å; V326-L366 HydrophobicContact CG2-CD1 4.45Å; V326-L366 HydrophobicContact CG2-CD2 3.7Å; Y364-L366 HydrophobicContact CD1-CD2 3.85Å; Y364-L366 HydrophobicContact CD1-CG 4.46Å; Y364-L366 HydrophobicContact CE1-CD2 3.95Å
367R92Very high92.1Very high55 Ų5582.1 Ų82.121%0.20840%0.395CS..THydrogen-bonded Turntrans-70.5-32.1175.3174.1-173.3-57-112.54.4112.4D311 E316 T318 A320 C323 N365D311-R367 IonicContact OD1-NE 3.1Å; D311-R367 IonicContact OD2-CZ 3.81Å; D311-R367 IonicContact OD2-NE 3.95Å; D311-R367 PolarHBondContact OD2-NE 3.28Å; D311-R367 IonicContact OD2-NH2 2.71Å; D311-R367 PolarHBondContact OD2-NH2 2.88Å; E316-R367 VanDerWaalsContact OE2-CD 3.24Å; E316-R367 WeakPolarHBondContact OE2-CD 3.16Å; E316-R367 IonicContact OE2-CZ 2.74Å; E316-R367 IonicContact OE2-NE 2.67Å; E316-R367 PolarHBondContact OE2-NE 3.21Å; E316-R367 IonicContact OE2-NH2 3.21Å; T318-R367 PolarHBondContact O-NH2 3.38Å; T318-R367 PolarHBondContact OG1-NH1 3.27Å; T318-R367 VanDerWaalsContact OG1-NH1 3.13Å; A320-R367 HydrophobicContact CB-CB 3.75Å; A320-R367 HydrophobicContact CB-CG 3.64Å; A320-R367 VanDerWaalsContact CB-CZ 3.41Å; C323-R367 PolarHBondContact SG-O 2.9Å; N365-R367 PolarHBondContact O-N 2.85Å; N365-R367 WeakPolarHBondContact OD1-CA 3.47Å; N365-R367 WeakPolarHBondContact OD1-CB 3.22Å; N365-R367 PolarHBondContact OD1-N 3.29Å
368K90.7Very high92Very high132 Ų13283.9 Ų83.957%0.57440%0.404SS*.SBendtrans-86.1118.5-173.8-71.2175.3-175.3179.40111.1N365N365-K368 HydrophobicContact CB-CD 4.49Å; N365-K368 WeakPolarHBondContact OD1-CG 3.42Å; N365-K368 PolarHBondContact OD1-N 2.68Å
369R89.7Confident91.9Very high143 Ų14381.6 Ų81.654%0.5440%0.399SS..PPolyproline II helixtrans-77.2127.4170.5-169.9174.5-173113.32.6110.4D296 C323D296-R369 IonicContact OD1-CZ 3.39Å; D296-R369 IonicContact OD1-NH2 3.67Å; D296-R369 PolarHBondContact OD1-NH2 2.96Å; D296-R369 IonicContact OD2-CZ 2.66Å; D296-R369 IonicContact OD2-NH2 2.72Å; D296-R369 PolarHBondContact OD2-NH2 2.92Å; C323-R369 HydrophobicContact CB-CB 4.19Å
370I91.4Very high91.8Very high72 Ų7285 Ų8537%0.36941%0.407SS..PPolyproline II helixtrans-82.4133.4172.1-57.5177.8000107.6Q295 V300 Y364 F372Q295-I370 PolarHBondContact OE1-O 3.47Å; V300-I370 HydrophobicContact CB-CD1 4.23Å; Y364-I370 HydrophobicContact CE2-CD1 3.73Å; I370-F372 HydrophobicContact CB-CD1 4.43Å; I370-F372 HydrophobicContact CG2-CD1 4.14Å
371V90.2Very high91.6Very high136 Ų13687.5 Ų87.582%0.82442%0.419SS*.  trans-101105.3178.4-178.40000108.6
372F91.2Very high91.4Very high75 Ų7583.6 Ų83.633%0.32940%0.397SS..  trans-128.3172.5174.961.8-88.8000110.6Q295 D296 E298 V300 I370Q295-F372 HydrophobicContact CB-CE1 4.41Å; Q295-F372 HydrophobicContact CG-CE1 4.1Å; Q295-F372 WeakPolarHBondContact O-CZ 3.42Å; D296-F372 HydrophobicContact CB-CZ 4.13Å; E298-F372 HydrophobicContact CB-CE2 4.01Å; E298-F372 HydrophobicContact CB-CZ 4.03Å; E298-F372 HydrophobicContact CG-CE2 3.7Å; E298-F372 HydrophobicContact CG-CZ 4.16Å; V300-F372 HydrophobicContact CG1-CD1 4.44Å; V300-F372 HydrophobicContact CG1-CE1 3.82Å; V300-F372 HydrophobicContact CG1-CZ 4.34Å; I370-F372 HydrophobicContact CB-CD1 4.43Å; I370-F372 HydrophobicContact CG2-CD1 4.14Å
373R89.9Confident91.2Very high175 Ų17586.3 Ų86.366%0.6641%0.409SS*.  trans-129.6137.3169.5-66.3-171.9-177.7-164.60.7108.8V378 E381R373-V378 HydrophobicContact CB-CG2 3.78Å; R373-E381 IonicContact CZ-OE2 2.72Å; R373-E381 IonicContact NH1-OE2 2.8Å; R373-E381 PolarHBondContact NH1-OE2 2.75Å
374K90.9Very high90.7Very high51 Ų5186.6 Ų86.622%0.22241%0.405CS..  trans-67.3138.6175.2-55.4-168.4-179.8-144.20109.9D296 E298 S376 D377 V378D296-K374 WeakPolarHBondContact O-CE 3.49Å; D296-K374 PolarHBondContact O-NZ 3.26Å; E298-K374 HydrophobicContact CG-CD 4.26Å; E298-K374 HydrophobicContact CG-CG 4.3Å; E298-K374 VanDerWaalsContact OE1-CD 3.28Å; E298-K374 WeakPolarHBondContact OE1-CD 3.44Å; E298-K374 WeakPolarHBondContact OE1-CE 3.47Å; E298-K374 IonicContact OE1-NZ 2.75Å; E298-K374 PolarHBondContact OE1-NZ 2.9Å; K374-S376 PolarHBondContact O-N 2.99Å; K374-D377 HydrophobicContact CB-CB 4.43Å; K374-D377 PolarHBondContact O-N 3.41Å; K374-D377 VanDerWaalsContact O-N 3.09Å; K374-V378 PolarHBondContact O-N 3.02Å
375I90.1Very high90.2Very high150 Ų15091.3 Ų91.377%0.76942%0.423SS*.Hα-helixtrans-61.5-34.3-178.8-60.4173.5000110.7V378 K379I375-V378 PolarHBondContact O-N 3.19Å; I375-K379 WeakPolarHBondContact O-CB 3.44Å; I375-K379 PolarHBondContact O-N 3.32Å
376S88.9Confident89.6Confident75 Ų7595.5 Ų95.552%0.52444%0.442SS..Hα-helixtrans-59.2-46.4172.447.30000112.8K374 K379 R380K374-S376 PolarHBondContact O-N 2.99Å; S376-K379 PolarHBondContact O-N 3.16Å; S376-R380 WeakPolarHBondContact O-CB 3.41Å; S376-R380 PolarHBondContact O-N 3.26Å
377D89.4Confident88.9Confident59 Ų59103.4 Ų103.432%0.31647%0.471SS..Hα-helixtrans-68.4-39.3178.1-68.5-41.9000111.7K374 K379 R380 E381K374-D377 HydrophobicContact CB-CB 4.43Å; K374-D377 PolarHBondContact O-N 3.41Å; K374-D377 VanDerWaalsContact O-N 3.09Å; D377-K379 VanDerWaalsContact C-N 3.35Å; D377-R380 PolarHBondContact O-N 3.38Å; D377-R380 IonicContact OD1-CZ 3.15Å; D377-R380 IonicContact OD1-NH1 3.09Å; D377-R380 PolarHBondContact OD1-NH1 2.91Å; D377-R380 IonicContact OD1-NH2 3.88Å; D377-R380 PolarHBondContact OD1-NH2 3.26Å; D377-E381 WeakPolarHBondContact O-CB 3.45Å; D377-E381 PolarHBondContact O-N 2.85Å
378V91.5Very high88.1Confident67 Ų67107.6 Ų107.641%0.40649%0.487SS..Hα-helixtrans-63.5-41.2174.41760000111.1R373 K374 I375 E381 E382R373-V378 HydrophobicContact CB-CG2 3.78Å; K374-V378 PolarHBondContact O-N 3.02Å; I375-V378 PolarHBondContact O-N 3.19Å; V378-E381 PolarHBondContact O-N 3.42Å; V378-E382 PolarHBondContact O-N 3.42Å
379K90.6Very high87Confident159 Ų159108.2 Ų108.269%0.69149%0.49SS*.Hα-helixtrans-65.4-41.4176.1-172177.2178.7-178.50111.7I375 S376 D377 E382 E383I375-K379 WeakPolarHBondContact O-CB 3.44Å; I375-K379 PolarHBondContact O-N 3.32Å; S376-K379 PolarHBondContact O-N 3.16Å; D377-K379 VanDerWaalsContact C-N 3.35Å; K379-E382 PolarHBondContact O-N 3.38Å; K379-E383 PolarHBondContact O-N 2.84Å
380R90.9Very high85.7Confident135 Ų135108.6 Ų108.651%0.50950%0.503SS..Hα-helixtrans-64.6-42.3174.3-170.2175.969.8-117.8-10.2111.6S376 D377 E382 E383 E384S376-R380 WeakPolarHBondContact O-CB 3.41Å; S376-R380 PolarHBondContact O-N 3.26Å; D377-R380 PolarHBondContact O-N 3.38Å; D377-R380 IonicContact OD1-CZ 3.15Å; D377-R380 IonicContact OD1-NH1 3.09Å; D377-R380 PolarHBondContact OD1-NH1 2.91Å; D377-R380 IonicContact OD1-NH2 3.88Å; D377-R380 PolarHBondContact OD1-NH2 3.26Å; R380-E382 VanDerWaalsContact C-N 3.35Å; R380-E382 PolarHBondContact O-N 2.84Å; R380-E383 PolarHBondContact O-N 3.32Å; R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 WeakPolarHBondContact O-CG 3.37Å; R380-E384 PolarHBondContact O-N 3.04Å
381E89.8Confident84.2Confident66 Ų66111.8 Ų111.831%0.30852%0.516SS..Hα-helixtrans-61-42.4175.9-164.7-162.514100111.4R373 D377 V378 R385R373-E381 IonicContact CZ-OE2 2.72Å; R373-E381 IonicContact NH1-OE2 2.8Å; R373-E381 PolarHBondContact NH1-OE2 2.75Å; D377-E381 WeakPolarHBondContact O-CB 3.45Å; D377-E381 PolarHBondContact O-N 2.85Å; V378-E381 PolarHBondContact O-N 3.42Å; E381-R385 VanDerWaalsContact O-CB 3.22Å; E381-R385 WeakPolarHBondContact O-CB 3.21Å; E381-R385 PolarHBondContact O-N 3.08Å; E381-R385 IonicContact OE1-CZ 3.5Å; E381-R385 IonicContact OE1-NH2 3.37Å; E381-R385 PolarHBondContact OE1-NH2 3.42Å
382E88.9Confident82.7Confident61 Ų61109.6 Ų109.629%0.28551%0.512SS..Hα-helixtrans-70.8-36.3177.7-173.157.3-144.500112.3V378 K379 R380 R385 Q386V378-E382 PolarHBondContact O-N 3.42Å; K379-E382 PolarHBondContact O-N 3.38Å; R380-E382 VanDerWaalsContact C-N 3.35Å; R380-E382 PolarHBondContact O-N 2.84Å; E382-R385 WeakPolarHBondContact O-CB 3.38Å; E382-R385 PolarHBondContact O-N 3.14Å; E382-R385 WeakPolarHBondContact OE2-CD 3.4Å; E382-R385 IonicContact OE2-CZ 3.21Å; E382-R385 IonicContact OE2-NE 2.88Å; E382-R385 IonicContact OE2-NH1 3.18Å; E382-R385 PolarHBondContact OE2-NH1 3.05Å; E382-Q386 WeakPolarHBondContact O-CG 3.43Å; E382-Q386 PolarHBondContact O-N 3.41Å
383E88.8Confident81.2Confident91 Ų91111.5 Ų111.543%0.42553%0.532SS..Hα-helixtrans-64.8-44.8172.9-163.7-168.7146.200111.6K379 R380 R385 Q386 R387K379-E383 PolarHBondContact O-N 2.84Å; R380-E383 PolarHBondContact O-N 3.32Å; E383-R385 VanDerWaalsContact C-N 3.28Å; E383-R385 PolarHBondContact O-N 3.33Å; E383-Q386 PolarHBondContact O-N 3.32Å; E383-R387 WeakPolarHBondContact O-CG 3.15Å; E383-R387 PolarHBondContact O-N 3.35Å; E383-R387 IonicContact OE1-CZ 2.77Å; E383-R387 IonicContact OE1-NE 4Å; E383-R387 PolarHBondContact OE1-NE 3.28Å; E383-R387 IonicContact OE1-NH2 3.38Å; E383-R387 PolarHBondContact OE1-NH2 3.33Å
384E86.6Confident79.7Confident77 Ų77110.7 Ų110.736%0.3654%0.54SS..Hα-helixtrans-61.3-36.3172-76.9-178.9-150.100112.5R380 R387 R388R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 WeakPolarHBondContact O-CG 3.37Å; R380-E384 PolarHBondContact O-N 3.04Å; E384-R387 PolarHBondContact O-N 2.79Å; E384-R388 WeakPolarHBondContact O-CB 3.29Å; E384-R388 WeakPolarHBondContact O-CG 3.27Å; E384-R388 PolarHBondContact O-N 3.44Å; E384-R388 IonicContact OE2-CZ 3.84Å; E384-R388 IonicContact OE2-NH2 2.84Å; E384-R388 PolarHBondContact OE2-NH2 3.47Å
385R84.4Confident78.1Confident116 Ų116115.8 Ų115.844%0.43857%0.57SS.*Hα-helixtrans-67.7-36.5175.8-171.3-175-63.5165.4-7.1111.3E381 E382 E383 K389E381-R385 VanDerWaalsContact O-CB 3.22Å; E381-R385 WeakPolarHBondContact O-CB 3.21Å; E381-R385 PolarHBondContact O-N 3.08Å; E381-R385 IonicContact OE1-CZ 3.5Å; E381-R385 IonicContact OE1-NH2 3.37Å; E381-R385 PolarHBondContact OE1-NH2 3.42Å; E382-R385 WeakPolarHBondContact O-CB 3.38Å; E382-R385 PolarHBondContact O-N 3.14Å; E382-R385 WeakPolarHBondContact OE2-CD 3.4Å; E382-R385 IonicContact OE2-CZ 3.21Å; E382-R385 IonicContact OE2-NE 2.88Å; E382-R385 IonicContact OE2-NH1 3.18Å; E382-R385 PolarHBondContact OE2-NH1 3.05Å; E383-R385 VanDerWaalsContact C-N 3.28Å; E383-R385 PolarHBondContact O-N 3.33Å; R385-K389 WeakPolarHBondContact O-CG 3.15Å; R385-K389 PolarHBondContact O-N 2.77Å
386Q81.9Confident76.8Confident110 Ų110113.2 Ų113.251%0.51456%0.557SS.*Hα-helixtrans-69-40172.8-72.1176.820.700112E382 E383 K389E382-Q386 WeakPolarHBondContact O-CG 3.43Å; E382-Q386 PolarHBondContact O-N 3.41Å; E383-Q386 PolarHBondContact O-N 3.32Å; Q386-K389 PolarHBondContact O-N 2.9Å
387R79.7Confident75.8Confident166 Ų166113.5 Ų113.563%0.62656%0.557SS**Hα-helixtrans-61.4-46.5171.5-67.8171.2-176.6-132.86111.4E383 E384 K389 N390E383-R387 WeakPolarHBondContact O-CG 3.15Å; E383-R387 PolarHBondContact O-N 3.35Å; E383-R387 IonicContact OE1-CZ 2.77Å; E383-R387 IonicContact OE1-NE 4Å; E383-R387 PolarHBondContact OE1-NE 3.28Å; E383-R387 IonicContact OE1-NH2 3.38Å; E383-R387 PolarHBondContact OE1-NH2 3.33Å; E384-R387 PolarHBondContact O-N 2.79Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.48Å; R387-N390 PolarHBondContact O-N 3.42Å; R387-N390 VanDerWaalsContact O-N 3.15Å
388R74.1Confident74.5Confident143 Ų143115.4 Ų115.454%0.5457%0.573SS.*Hα-helixtrans-69.3-17.7179-76.2-174.6-99.4178.4-10.5114.9E384 N390 E391E384-R388 WeakPolarHBondContact O-CB 3.29Å; E384-R388 WeakPolarHBondContact O-CG 3.27Å; E384-R388 PolarHBondContact O-N 3.44Å; E384-R388 IonicContact OE2-CZ 3.84Å; E384-R388 IonicContact OE2-NH2 2.84Å; E384-R388 PolarHBondContact OE2-NH2 3.47Å; R388-N390 PolarHBondContact O-N 3.01Å; R388-E391 PolarHBondContact O-N 3.28Å; R388-E391 VanDerWaalsContact O-N 3.13Å
389K67.7Low73.1Confident145 Ų145117.6 Ų117.663%0.6358%0.582SS**THydrogen-bonded Turntrans-63.9-17.7169.6-81.6170.1-177.9168.60112.9R385 Q386 R387R385-K389 WeakPolarHBondContact O-CG 3.15Å; R385-K389 PolarHBondContact O-N 2.77Å; Q386-K389 PolarHBondContact O-N 2.9Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.48Å
390N62.9Low72.5Confident151 Ų151113 Ų11381%0.80756%0.563SS**THydrogen-bonded Turntrans-96.13.6175.4-65.1-5.1000113.3R387 R388R387-N390 PolarHBondContact O-N 3.42Å; R387-N390 VanDerWaalsContact O-N 3.15Å; R388-N390 PolarHBondContact O-N 3.01Å
391E60.1Low72.1Confident139 Ų139111.1 Ų111.165%0.6557%0.568SS**SBendtrans-111150.8178.5-67.9-176.8147.500111.8R388R388-E391 PolarHBondContact O-N 3.28Å; R388-E391 VanDerWaalsContact O-N 3.13Å
392A58Low71.6Confident90 Ų90111 Ų11174%0.74457%0.572SS**  trans-71.6144.6-177.800000112.5L394A392-L394 PolarHBondContact O-N 2.94Å
393P59.4Low71.1Confident115 Ų115115.5 Ų115.575%0.74759%0.586SS**  trans-64122.6-179.4-21.933.1000113.5N395P393-N395 PolarHBondContact O-N 3.34Å; P393-N395 VanDerWaalsContact O-N 3.08Å
394L59.5Low70.6Confident159 Ų159115.9 Ų115.983%0.83259%0.587SS**  trans-68.799.7172.9-87.1155.7000111.6A392 L396A392-L394 PolarHBondContact O-N 2.94Å; L394-L396 PolarHBondContact O-N 3.34Å
395N57.2Low70.5Confident158 Ų158116.5 Ų116.585%0.84559%0.592SS**  trans-77.4100.8169.4-89.5-72.9000110.7P393P393-N395 PolarHBondContact O-N 3.34Å; P393-N395 VanDerWaalsContact O-N 3.08Å
396L61.6Low70.4Confident95 Ų95117.9 Ų117.950%0.49760%0.601SS.*  trans-86130179.2-74.3146.6000111.5L394L394-L396 PolarHBondContact O-N 3.34Å
397P67.9Low70.3Confident82 Ų82118.1 Ų118.153%0.53260%0.603SS.*  trans-55.9153.3177.9-27.435.3000113.9D399 H400P397-D399 PolarHBondContact O-N 3.12Å; P397-H400 VanDerWaalsContact O-CB 3.3Å; P397-H400 WeakPolarHBondContact O-CB 3.42Å; P397-H400 PolarHBondContact O-N 3.5Å; P397-H400 VanDerWaalsContact O-N 3.13Å
398P63.1Low70.4Confident99 Ų99118.9 Ų118.964%0.64361%0.605SS**THydrogen-bonded Turntrans-60.8-30.5-176.223.6-33.6000113.8H400P398-H400 VanDerWaalsContact C-N 3.33Å; P398-H400 PolarHBondContact O-N 3.46Å
399D63Low70.8Confident113 Ų113117.7 Ų117.760%0.60460%0.604SS**THydrogen-bonded Turntrans-82.9-0.7179.7-88.3-63.3000115.5P397 K404P397-D399 PolarHBondContact O-N 3.12Å; D399-K404 WeakPolarHBondContact OD1-CE 3.26Å; D399-K404 IonicContact OD1-NZ 2.81Å; D399-K404 PolarHBondContact OD1-NZ 3.14Å
400H77.2Confident71.6Confident63 Ų63118.8 Ų118.829%0.29261%0.605SS.*  trans-57.7130.6-174.5-164.9-96.4000111.7P397 P398 V402 R403 K404P397-H400 VanDerWaalsContact O-CB 3.3Å; P397-H400 WeakPolarHBondContact O-CB 3.42Å; P397-H400 PolarHBondContact O-N 3.5Å; P397-H400 VanDerWaalsContact O-N 3.13Å; P398-H400 VanDerWaalsContact C-N 3.33Å; P398-H400 PolarHBondContact O-N 3.46Å; H400-V402 WeakPolarHBondContact ND1-CB 3.27Å; H400-V402 PolarHBondContact O-N 3.01Å; H400-V402 VanDerWaalsContact O-N 3.08Å; H400-R403 WeakPolarHBondContact O-CB 3.33Å; H400-R403 PolarHBondContact O-N 3.45Å; H400-K404 PolarHBondContact O-N 3.06Å
401P82.2Confident72.5Confident94 Ų94116.9 Ų116.961%0.6159%0.591SS**Hα-helixtrans-58.3-31.6-171.720.3-33000113.4R403 K404 L405P401-R403 VanDerWaalsContact C-N 3.32Å; P401-R403 PolarHBondContact O-N 2.92Å; P401-K404 PolarHBondContact O-N 3.37Å; P401-L405 PolarHBondContact O-N 3.37Å
402V79.3Confident73.5Confident65 Ų65115.1 Ų115.139%0.39458%0.583SS.*Hα-helixtrans-62.3-35.9174.7178.20000112.1H400 L405 F406H400-V402 WeakPolarHBondContact ND1-CB 3.27Å; H400-V402 PolarHBondContact O-N 3.01Å; H400-V402 VanDerWaalsContact O-N 3.08Å; V402-L405 WeakPolarHBondContact O-CB 3.2Å; V402-L405 PolarHBondContact O-N 2.87Å; V402-F406 HydrophobicContact CG1-CD2 3.71Å; V402-F406 HydrophobicContact CG1-CE2 3.59Å; V402-F406 VanDerWaalsContact O-CD2 3.28Å; V402-F406 WeakPolarHBondContact O-CD2 3.31Å; V402-F406 PolarHBondContact O-N 2.56Å
403R78Confident74.6Confident154 Ų154117.7 Ų117.758%0.58158%0.577SS**Hα-helixtrans-68.8-40.5178.2-165.7172.8-175.7152.5-1.3111.1H400 P401 L405 F406 Q407H400-R403 WeakPolarHBondContact O-CB 3.33Å; H400-R403 PolarHBondContact O-N 3.45Å; P401-R403 VanDerWaalsContact C-N 3.32Å; P401-R403 PolarHBondContact O-N 2.92Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.11Å; R403-F406 PolarHBondContact O-N 2.89Å; R403-Q407 WeakPolarHBondContact O-CB 3.45Å; R403-Q407 PolarHBondContact O-N 3.18Å
404K79.4Confident75.7Confident100 Ų100116.9 Ų116.944%0.43556%0.563SS.*Hα-helixtrans-63.4-36.5171.6-70.2173.2180162.20111.7D399 H400 P401 Q407 R408D399-K404 WeakPolarHBondContact OD1-CE 3.26Å; D399-K404 IonicContact OD1-NZ 2.81Å; D399-K404 PolarHBondContact OD1-NZ 3.14Å; H400-K404 PolarHBondContact O-N 3.06Å; P401-K404 PolarHBondContact O-N 3.37Å; K404-Q407 PolarHBondContact O-N 2.59Å; K404-R408 PolarHBondContact O-N 3.35Å
405L83.8Confident76.3Confident89 Ų89111.9 Ų111.947%0.46655%0.545SS..Hα-helixtrans-66.6-46.8174.6-174.663.7000112.5P401 V402 R403 Q407 R408 F409P401-L405 PolarHBondContact O-N 3.37Å; V402-L405 WeakPolarHBondContact O-CB 3.2Å; V402-L405 PolarHBondContact O-N 2.87Å; R403-L405 VanDerWaalsContact C-N 3.32Å; R403-L405 PolarHBondContact O-N 3.11Å; L405-Q407 VanDerWaalsContact C-N 3.28Å; L405-Q407 PolarHBondContact O-N 3.38Å; L405-R408 PolarHBondContact O-N 3.47Å; L405-F409 HydrophobicContact CD1-CD2 4.06Å; L405-F409 HydrophobicContact CD1-CE2 3.72Å; L405-F409 HydrophobicContact CD2-CE2 4.23Å; L405-F409 HydrophobicContact CG-CD2 3.92Å; L405-F409 HydrophobicContact CG-CE2 3.77Å; L405-F409 WeakPolarHBondContact O-CD2 3.45Å; L405-F409 PolarHBondContact O-N 3.37Å
406F81.6Confident77Confident146 Ų146112.8 Ų112.864%0.6454%0.536SS*.Hα-helixtrans-59.8-38173.7-86.7-71.4000112.3V402 R403 F409 R410V402-F406 HydrophobicContact CG1-CD2 3.71Å; V402-F406 HydrophobicContact CG1-CE2 3.59Å; V402-F406 VanDerWaalsContact O-CD2 3.28Å; V402-F406 WeakPolarHBondContact O-CD2 3.31Å; V402-F406 PolarHBondContact O-N 2.56Å; R403-F406 PolarHBondContact O-N 2.89Å; F406-F409 PolarHBondContact O-N 3.12Å; F406-R410 VanDerWaalsContact O-CB 3.3Å; F406-R410 WeakPolarHBondContact O-CB 3.26Å; F406-R410 PolarHBondContact O-N 3.5Å
407Q80.4Confident77.3Confident115 Ų115113.6 Ų113.654%0.53754%0.539SS..Hα-helixtrans-65.1-40.4176-165.6170.29.800112R403 K404 L405 R410 Q411R403-Q407 WeakPolarHBondContact O-CB 3.45Å; R403-Q407 PolarHBondContact O-N 3.18Å; K404-Q407 PolarHBondContact O-N 2.59Å; L405-Q407 VanDerWaalsContact C-N 3.28Å; L405-Q407 PolarHBondContact O-N 3.38Å; Q407-R410 PolarHBondContact O-N 2.96Å; Q407-Q411 WeakPolarHBondContact O-CG 3.35Å; Q407-Q411 PolarHBondContact O-N 3Å
408R82.4Confident77.4Confident181 Ų181112.5 Ų112.568%0.68354%0.537SS*.Hα-helixtrans-63.3-47172.1-74.8-178.8177.4-176.8-0.5112.6K404 L405 R410 Q411 Q412K404-R408 PolarHBondContact O-N 3.35Å; L405-R408 PolarHBondContact O-N 3.47Å; R408-R410 VanDerWaalsContact C-N 3.28Å; R408-R410 PolarHBondContact O-N 3.26Å; R408-Q411 PolarHBondContact O-N 2.94Å; R408-Q412 WeakPolarHBondContact O-CB 3.44Å; R408-Q412 PolarHBondContact O-N 2.83Å
409F82.9Confident77.5Confident118 Ų118111.6 Ų111.652%0.51853%0.529SS..Hα-helixtrans-61.8-36.8176.3-85.1-64.8000112.3L405 F406 Q412 K413L405-F409 HydrophobicContact CD1-CD2 4.06Å; L405-F409 HydrophobicContact CD1-CE2 3.72Å; L405-F409 HydrophobicContact CD2-CE2 4.23Å; L405-F409 HydrophobicContact CG-CD2 3.92Å; L405-F409 HydrophobicContact CG-CE2 3.77Å; L405-F409 WeakPolarHBondContact O-CD2 3.45Å; L405-F409 PolarHBondContact O-N 3.37Å; F406-F409 PolarHBondContact O-N 3.12Å; F409-Q412 PolarHBondContact O-N 2.99Å; F409-K413 WeakPolarHBondContact O-CB 3.43Å; F409-K413 PolarHBondContact O-N 2.83Å
410R83.3Confident77.1Confident169 Ų169111.8 Ų111.864%0.63853%0.527SS*.Hα-helixtrans-64.7-48.8174.7-178.2171.9179.4161.82.4111.7F406 Q407 R408 Q412 K413 E414F406-R410 VanDerWaalsContact O-CB 3.3Å; F406-R410 WeakPolarHBondContact O-CB 3.26Å; F406-R410 PolarHBondContact O-N 3.5Å; Q407-R410 PolarHBondContact O-N 2.96Å; R408-R410 VanDerWaalsContact C-N 3.28Å; R408-R410 PolarHBondContact O-N 3.26Å; R410-Q412 VanDerWaalsContact C-N 3.32Å; R410-Q412 PolarHBondContact O-N 2.84Å; R410-K413 PolarHBondContact O-N 3.47Å; R410-E414 HydrophobicContact CG-CG 4.44Å; R410-E414 VanDerWaalsContact CG-OE1 3.27Å; R410-E414 WeakPolarHBondContact CG-OE1 3.4Å; R410-E414 IonicContact CZ-OE1 2.65Å; R410-E414 IonicContact NE-OE1 3.52Å; R410-E414 PolarHBondContact NE-OE1 3.47Å; R410-E414 IonicContact NH2-OE1 2.88Å; R410-E414 WeakPolarHBondContact O-CB 3.47Å; R410-E414 WeakPolarHBondContact O-CG 3.49Å; R410-E414 PolarHBondContact O-N 2.99Å
411Q82.4Confident75.9Confident111 Ų111116.4 Ų116.452%0.51955%0.546SS..Hα-helixtrans-59.2-41.5174.5-74.2171.4-17.400112.1Q407 R408 E414 A415Q407-Q411 WeakPolarHBondContact O-CG 3.35Å; Q407-Q411 PolarHBondContact O-N 3Å; R408-Q411 PolarHBondContact O-N 2.94Å; Q411-E414 PolarHBondContact O-N 2.89Å; Q411-A415 VanDerWaalsContact O-CB 3.31Å; Q411-A415 WeakPolarHBondContact O-CB 3.44Å; Q411-A415 PolarHBondContact O-N 3.01Å
412Q81.8Confident74.1Confident102 Ų102117.9 Ų117.948%0.47755%0.545SS..Hα-helixtrans-67.8-35.1177.6-164.8178.931.400112.4R408 F409 R410 R416R408-Q412 WeakPolarHBondContact O-CB 3.44Å; R408-Q412 PolarHBondContact O-N 2.83Å; F409-Q412 PolarHBondContact O-N 2.99Å; R410-Q412 VanDerWaalsContact C-N 3.32Å; R410-Q412 PolarHBondContact O-N 2.84Å; Q412-R416 WeakPolarHBondContact O-CG 3.44Å; Q412-R416 PolarHBondContact O-N 3.43Å
413K79.4Confident72.5Confident144 Ų144120.5 Ų120.563%0.62655%0.552SS**Hα-helixtrans-68.1-46.4172-175.9-179179-1780111.3F409 R410 A415 R416 M417F409-K413 WeakPolarHBondContact O-CB 3.43Å; F409-K413 PolarHBondContact O-N 2.83Å; R410-K413 PolarHBondContact O-N 3.47Å; K413-A415 VanDerWaalsContact C-N 3.33Å; K413-A415 PolarHBondContact O-N 3.41Å; K413-R416 PolarHBondContact O-N 3.44Å; K413-M417 HydrophobicContact CG-CG 4.32Å; K413-M417 WeakPolarHBondContact O-CB 3.48Å; K413-M417 WeakPolarHBondContact O-CG 3.39Å; K413-M417 PolarHBondContact O-N 3Å
414E82.4Confident70.9Confident98 Ų98119 Ų11946%0.45856%0.556SS.*Hα-helixtrans-62.1-40.1178-73.8165.3179.200111R410 Q411 M417 A418R410-E414 HydrophobicContact CG-CG 4.44Å; R410-E414 VanDerWaalsContact CG-OE1 3.27Å; R410-E414 WeakPolarHBondContact CG-OE1 3.4Å; R410-E414 IonicContact CZ-OE1 2.65Å; R410-E414 IonicContact NE-OE1 3.52Å; R410-E414 PolarHBondContact NE-OE1 3.47Å; R410-E414 IonicContact NH2-OE1 2.88Å; R410-E414 WeakPolarHBondContact O-CB 3.47Å; R410-E414 WeakPolarHBondContact O-CG 3.49Å; R410-E414 PolarHBondContact O-N 2.99Å; Q411-E414 PolarHBondContact O-N 2.89Å; E414-M417 PolarHBondContact O-N 2.93Å; E414-A418 WeakPolarHBondContact O-CB 3.28Å; E414-A418 PolarHBondContact O-N 3.26Å
415A73.4Confident69.1Low54 Ų54120.5 Ų120.545%0.44657%0.568SS.*Hα-helixtrans-63-48.5172.200000112.8Q411 K413 M417 A418 T419Q411-A415 VanDerWaalsContact O-CB 3.31Å; Q411-A415 WeakPolarHBondContact O-CB 3.44Å; Q411-A415 PolarHBondContact O-N 3.01Å; K413-A415 VanDerWaalsContact C-N 3.33Å; K413-A415 PolarHBondContact O-N 3.41Å; A415-M417 VanDerWaalsContact C-N 3.32Å; A415-M417 PolarHBondContact O-N 3.47Å; A415-A418 WeakPolarHBondContact O-CB 3.24Å; A415-A418 PolarHBondContact O-N 3.46Å; A415-A418 VanDerWaalsContact O-N 3.14Å; A415-T419 PolarHBondContact O-N 3.45Å; A415-T419 PolarHBondContact O-OG1 3.29Å
416R71.9Confident67.2Low176 Ų176123.2 Ų123.266%0.66458%0.578SS**Hα-helixtrans-59.9-41176-77.6179.6176.9-175.1-0.5112.5Q412 K413 A418 T419 Q420Q412-R416 WeakPolarHBondContact O-CG 3.44Å; Q412-R416 PolarHBondContact O-N 3.43Å; K413-R416 PolarHBondContact O-N 3.44Å; R416-A418 VanDerWaalsContact C-N 3.33Å; R416-T419 PolarHBondContact O-N 3.41Å; R416-Q420 WeakPolarHBondContact O-CB 3.35Å; R416-Q420 PolarHBondContact O-N 3.07Å
417M68.2Low65.2Low113 Ų113124 Ų12456%0.55758%0.584SS**Hα-helixtrans-66.9-34.4176.3-66.5-78.5-70.300111.7K413 E414 A415 K421K413-M417 HydrophobicContact CG-CG 4.32Å; K413-M417 WeakPolarHBondContact O-CB 3.48Å; K413-M417 WeakPolarHBondContact O-CG 3.39Å; K413-M417 PolarHBondContact O-N 3Å; E414-M417 PolarHBondContact O-N 2.93Å; A415-M417 VanDerWaalsContact C-N 3.32Å; A415-M417 PolarHBondContact O-N 3.47Å; M417-K421 VanDerWaalsContact O-CB 3.23Å; M417-K421 WeakPolarHBondContact O-CB 3.1Å; M417-K421 PolarHBondContact O-N 3.21Å
418A68.6Low63.2Low58 Ų58124.9 Ų124.948%0.47959%0.592SS.*Hα-helixtrans-66.5-47.217400000111.6E414 A415 R416 Q420 K421 Q422E414-A418 WeakPolarHBondContact O-CB 3.28Å; E414-A418 PolarHBondContact O-N 3.26Å; A415-A418 WeakPolarHBondContact O-CB 3.24Å; A415-A418 PolarHBondContact O-N 3.46Å; A415-A418 VanDerWaalsContact O-N 3.14Å; R416-A418 VanDerWaalsContact C-N 3.33Å; A418-Q420 PolarHBondContact O-N 2.93Å; A418-K421 PolarHBondContact O-N 2.81Å; A418-Q422 WeakPolarHBondContact O-CB 3.48Å; A418-Q422 PolarHBondContact O-N 3.49Å
419T65.2Low61.6Low80 Ų80122.2 Ų122.249%0.49160%0.596SS.*Hα-helixtrans-59.3-48175.7-50.20000111.6A415 R416 K421 Q422 E423A415-T419 PolarHBondContact O-N 3.45Å; A415-T419 PolarHBondContact O-OG1 3.29Å; R416-T419 PolarHBondContact O-N 3.41Å; T419-K421 VanDerWaalsContact C-N 3.27Å; T419-K421 PolarHBondContact O-N 3.27Å; T419-Q422 WeakPolarHBondContact O-CB 3.25Å; T419-Q422 PolarHBondContact O-N 3.42Å; T419-E423 PolarHBondContact O-N 3.07Å
420Q54.7Low59.7Low118 Ų118125.2 Ų125.255%0.55161%0.612SS**Hα-helixtrans-63.3-32.8178.7-171174.626.900112.8R416 A418 L424R416-Q420 WeakPolarHBondContact O-CB 3.35Å; R416-Q420 PolarHBondContact O-N 3.07Å; A418-Q420 PolarHBondContact O-N 2.93Å; Q420-L424 PolarHBondContact O-N 3.46Å
421K52.5Low57.6Low160 Ų160126.5 Ų126.570%0.69662%0.622SS**Hα-helixtrans-76.1-25.8175.5-163.7175.2-175-175.60112.5M417 A418 T419 N425M417-K421 VanDerWaalsContact O-CB 3.23Å; M417-K421 WeakPolarHBondContact O-CB 3.1Å; M417-K421 PolarHBondContact O-N 3.21Å; A418-K421 PolarHBondContact O-N 2.81Å; T419-K421 VanDerWaalsContact C-N 3.27Å; T419-K421 PolarHBondContact O-N 3.27Å; K421-N425 PolarHBondContact O-N 3.41Å
422Q45.1Very low55.3Low125 Ų125124.2 Ų124.258%0.58463%0.629SS**Hα-helixtrans-76.1-42.9174.8-167.5168.7-10.100111.2A418 T419 L424 N425 E426A418-Q422 WeakPolarHBondContact O-CB 3.48Å; A418-Q422 PolarHBondContact O-N 3.49Å; T419-Q422 WeakPolarHBondContact O-CB 3.25Å; T419-Q422 PolarHBondContact O-N 3.42Å; Q422-L424 VanDerWaalsContact C-N 3.31Å; Q422-L424 PolarHBondContact O-N 3.05Å; Q422-N425 WeakPolarHBondContact O-CB 3.5Å; Q422-N425 PolarHBondContact O-N 2.85Å; Q422-E426 PolarHBondContact O-N 3.49Å
423E46.1Very low52.9Low119 Ų119125.7 Ų125.756%0.55665%0.647SS**Hα-helixtrans-59.1-38.1172.1-71.5177.5157.700112.7T419 N425T419-E423 PolarHBondContact O-N 3.07Å; E423-N425 VanDerWaalsContact C-N 3.26Å; E423-N425 PolarHBondContact O-N 3.25Å
424L44.3Very low50.6Low124 Ų124125.1 Ų125.165%0.64966%0.655SS**Hα-helixtrans-64.9-30.6174.3-11985.3000112.9Q420 Q422Q420-L424 PolarHBondContact O-N 3.46Å; Q422-L424 VanDerWaalsContact C-N 3.31Å; Q422-L424 PolarHBondContact O-N 3.05Å
425N40.9Very low48.2Very low130 Ų130131 Ų13170%0.69568%0.675SS**Hα-helixtrans-84.4-19-174.7-131.969.6000112.6K421 Q422 E423K421-N425 PolarHBondContact O-N 3.41Å; Q422-N425 WeakPolarHBondContact O-CB 3.5Å; Q422-N425 PolarHBondContact O-N 2.85Å; E423-N425 VanDerWaalsContact C-N 3.26Å; E423-N425 PolarHBondContact O-N 3.25Å
426E44.1Very low46.2Very low146 Ų146134.2 Ų134.268%0.68269%0.688SS**Hα-helixtrans-84.5-14.9172.6-70.8-175.4167.300113Q422Q422-E426 PolarHBondContact O-N 3.49Å
427Q39.1Very low44.2Very low162 Ų162132.5 Ų132.576%0.75769%0.693SS**SBendtrans-85.3-11.8176.7-70.2-1775.500113.9V429Q427-V429 PolarHBondContact O-N 2.92Å
428D38.7Very low42.4Very low134 Ų134133.3 Ų133.372%0.71770%0.703SS**  trans-94.664.4-176-153.117000111.8E430D428-E430 VanDerWaalsContact C-N 3.34Å; D428-E430 PolarHBondContact O-N 3.06Å
429V49.1Very low40.3Very low125 Ų125135.1 Ų135.176%0.75871%0.712SS**  trans-83.273.1-176.7-171.80000111.2Q427Q427-V429 PolarHBondContact O-N 2.92Å
430E42.6Very low38.6Very low181 Ų181140.5 Ų140.585%0.84673%0.734SS**  trans-122.531.7167.8-145.8-174.7-140.400113.7D428D428-E430 VanDerWaalsContact C-N 3.34Å; D428-E430 PolarHBondContact O-N 3.06Å
431K39.8Very low37.5Very low196 Ų196141.3 Ų141.385%0.85275%0.747SS**SBendtrans-131121.6161.3-73.7-172.7177.7175.80111.1
432G32.7Very low36.4Very low64 Ų64143.4 Ų143.466%0.6676%0.756SS**  trans-65161178.200000113.2V434G432-V434 PolarHBondContact O-N 3.02Å
433P33.3Very low35.6Very low133 Ų133141.9 Ų141.986%0.86477%0.765SS**  trans-73.2117.2-170.529.2-34.3000111.6
434V29.3Very low35.1Very low131 Ų131141.6 Ų141.679%0.79477%0.774SS**  trans-85.7115.2160.91790000107.8G432 V436G432-V434 PolarHBondContact O-N 3.02Å; V434-V436 HydrophobicContact CG1-CG2 4.3Å; V434-V436 PolarHBondContact O-N 3.03Å
435Y33.3Very low34.4Very low222 Ų222142.4 Ų142.487%0.87178%0.784SS**  trans-67.9115.3175.2-130.5-92.8000109.7
436V31.9Very low33.8Very low121 Ų121142.3 Ų142.373%0.73379%0.788SS**  trans-136122.1160.2-174.50000108.4V434V434-V436 HydrophobicContact CG1-CG2 4.3Å; V434-V436 PolarHBondContact O-N 3.03Å
437D28.5Very low33.1Very low141 Ų141141.3 Ų141.375%0.75479%0.792SS**  trans-79.4132.5-176.8179.317.4000111.6
438V30.7Very low32.6Very low129 Ų129140.4 Ų140.478%0.78280%0.798SS**  trans-141.890.7167.6-173.40000111.1
439S25.5Very low32.1Very low96 Ų96139.3 Ų139.367%0.67180%0.801SS**  trans19.7126.1138.7-148.90000120V441S439-V441 PolarHBondContact O-N 3.04Å
440M29.6Very low31.1Very low193 Ų193141.1 Ų141.195%0.95180%0.804SS**  trans-65.4127.1172.6-72.4-174.3167.400113.4
441V30.4Very low30.3Very low136 Ų136138.8 Ų138.882%0.82480%0.802SS**  trans-126.3131.4160.5-179.50000109.4S439S439-V441 PolarHBondContact O-N 3.04Å
442K30.6Very low29.8Very low203 Ų203135.2 Ų135.288%0.88380%0.797SS**PPolyproline II helixtrans-68.4128.1-177.7-68.9176.3177.1175.90111.4
443A27.9Very low29.5Very low94 Ų94139.2 Ų139.278%0.77781%0.808SS**PPolyproline II helixtrans-83.4133.2167.500000111
444P34.2Very low29.4Very low113 Ų113138.1 Ų138.173%0.73480%0.799SS**PPolyproline II helixtrans-80.9144.9169.932.2-32.6000111.7
445V31.2Very low29.2Very low141 Ų141141.5 Ų141.586%0.85581%0.806SS**PPolyproline II helixtrans-80.6125.1172.4175.50000109.1
446T27.1Very low29Very low127 Ų127135.9 Ų135.978%0.77980%0.8SS**  trans-116.4108.5176.3-40.70000110.6
447T30.6Very low29.4Very low126 Ų126136.2 Ų136.277%0.77380%0.804SS**  trans-72143.3173.831.10000111.9
448T28.6Very low29.4Very low143 Ų143133.6 Ų133.688%0.87780%0.802SS**  trans-73130.6171.448.10000111.6
449S26.7Very low29.4Very low111 Ų111133.6 Ų133.678%0.77680%0.803SS**  trans-137.8146.5156.267.60000111.1
450I29.3Very low29.9Very low163 Ų163134.5 Ų134.584%0.83681%0.806SS**  trans-96.8138.5-176.8-66.8164.4000108.1
451V26.1Very low29.7Very low132 Ų132130.3 Ų130.380%0.880%0.796SS**  trans-118.7120.8172.2177.60000109.9
452T29.4Very low29.5Very low121 Ų121129.2 Ų129.274%0.74279%0.794SS**PPolyproline II helixtrans-83148.4168.842.60000111
453V25.6Very low29.4Very low148 Ų148124.6 Ų124.690%0.89779%0.787SS**PPolyproline II helixtrans-84.8140.3175.8179.40000110.7
454T30.4Very low29.3Very low110 Ų110124.4 Ų124.468%0.67579%0.786SS**PPolyproline II helixtrans-87.9156.6-174.149.50000114.2
455E26.9Very low29.4Very low202 Ų202124.6 Ų124.694%0.94479%0.787SS**  trans-128.9144.4134.6-75.4-163.3143.400110.9
456S28.2Very low29Very low104 Ų104122.8 Ų122.873%0.72778%0.781SS**  trans-115.2-174.8-179.4-65.30000107.7
457P41Very low29.5Very low127 Ų127122.1 Ų122.183%0.82578%0.779SS**  cis-128.2-173.16.341.3-20.6000112.6
458A27.3Very low29.3Very low87 Ų87121.4 Ų121.472%0.71978%0.779SS**  cis-152.5149.522.800000116
459T30.3Very low29.2Very low129 Ų129120.8 Ų120.879%0.79178%0.775SS**  trans-23.3170.9151.651.20000119.9
460P36.6Very low29.7Very low115 Ų115120.7 Ų120.775%0.74777%0.772SS**  cis-131.1-170.9-41.438.7-19.9000109.7
461S25.3Very low29.5Very low105 Ų105119 Ų11973%0.73477%0.769SS**  cis-178.4163.340.846.50000111.3
462S26.6Very low29.4Very low112 Ų112117.5 Ų117.578%0.78376%0.764SS**  trans48.6138.1148.1-133.70000120.8
463S28.3Very low29.3Very low106 Ų106118 Ų11874%0.74177%0.771SS**  cis-169.1152.1-6.627.40000108.5
464A26.1Very low30.1Very low91 Ų91116.3 Ų116.375%0.75276%0.764SS**  trans-72176173.100000112
465P35.6Very low30.7Very low116 Ų116116.2 Ų116.275%0.75377%0.765SS**  cis-137.2175.97.639.4-19.2000118.2
466S23.7Very low30.7Very low103 Ų103112.1 Ų112.172%0.7275%0.754SS**  trans-41169.9160.460.30000116.3
467P36.4Very low30.6Very low114 Ų114114.1 Ų114.174%0.7476%0.756SS**  cis-151.6-162.430.743.8-21.4000118.1
468S27.3Very low30.1Very low110 Ų110118 Ų11877%0.76976%0.76SS**  trans91102.2161.1680000119.9
469T25.9Very low30.1Very low130 Ų130118.5 Ų118.580%0.79876%0.764SS**  trans-47.1162.2139.926.40000112
470P36.9Very low29.9Very low109 Ų109122.3 Ų122.371%0.70877%0.769SS**  cis-160.5176.95048-26.7000121
471T25.3Very low29.3Very low128 Ų128123.5 Ų123.579%0.78577%0.769SS**  trans76147.3148.7-31.90000122.9
472S25.1Very low29.3Very low100 Ų100127.8 Ų127.870%0.69978%0.777SS**  trans76.797.3154.559.30000122.1
473C25.6Very low29.2Very low131 Ų131127.8 Ų127.889%0.88577%0.772SS**  55.6155.8109.4-72.80000122.7
474P43.2Very low29.5Very low114 Ų114128.4 Ų128.474%0.7477%0.774SS**  trans-109-172.5-146.848.3-40.5000112.9
475P41.9Very low29.4Very low107 Ų107129 Ų12970%0.69577%0.773SS**  -153.3168.468.541.6-20000119
476T27.7Very low29Very low117 Ų117127.9 Ų127.972%0.71877%0.773SS**  trans56.9132.1145.148.20000125.1
477D26.4Very low29.1Very low145 Ų145130.2 Ų130.278%0.77578%0.783SS**  trans65.5116.2139-62.5-22.6000123.5
478K31.1Very low28.5Very low210 Ų210128.8 Ų128.891%0.91378%0.78SS**  -163.4125.6118.9-107.1157.8-171.2169.90112.8
479A27.3Very low28.5Very low96 Ų96131.9 Ų131.979%0.79379%0.787SS**  trans-86.5148.7169.900000111.8
480K26.1Very low28.4Very low209 Ų209130.4 Ų130.491%0.90979%0.788SS**  trans-155.4137.8147.9-130.6175.3-176.8-178.20112.4
481L24.2Very low27.8Very low140 Ų140129.8 Ų129.873%0.73379%0.792SS**  trans-83.9164.8-179-60.177.8000111.6
482Q24.9Very low27.6Very low196 Ų196130.2 Ų130.292%0.91680%0.799SS**  -152.6143.2125.2-121.3158.3-31.100114.6
483V23.5Very low27.7Very low111 Ų111137 Ų13767%0.67381%0.809SS**  trans-130.9160.4174.2-152.10000106.4
484P34.2Very low28.6Very low120 Ų120136.6 Ų136.678%0.77981%0.805SS**  -142.1145.394.818.35.2000113.9
485S25.5Very low27.6Very low104 Ų104136.1 Ų136.173%0.72781%0.81SS**  61.1113.183.4-159.10000113.6
486A26.1Very low26.8Very low91 Ų91139.3 Ų139.375%0.75282%0.816SS**  cis82.4126.148.500000115.1
487V25.6Very low27.2Very low153 Ų153139 Ų13993%0.92782%0.816SS**  trans-145.8143.5164.2178.90000108.4
488A25.2Very low27.2Very low83 Ų83137.3 Ų137.369%0.68681%0.811SS**  trans-147-180-17900000111.7
489L26.7Very low27Very low176 Ų176136.2 Ų136.292%0.92181%0.806SS**  trans82149.5176.6-55.4157.8000114.6
490A23.4Very low26.9Very low99 Ų99138 Ų13882%0.81881%0.807SS**  cis-143.9-179.11500000113.5
491A23.9Very low27Very low95 Ų95137.7 Ų137.779%0.78581%0.805SS**  trans-131.1152.4179.400000112.7
492C22.6Very low27.2Very low138 Ų138134.1 Ų134.193%0.93280%0.802SS**  trans-163155.7160.2-108.50000112.4
493R26.5Very low27.2Very low243 Ų243137.6 Ų137.692%0.91781%0.807SS**  trans-116.5-163.5177.9-69.9-179.9161.4179.7-4.6109.6
494P45.1Very low27.4Very low121 Ų121135.4 Ų135.479%0.78681%0.807SS**  cis-136178.1-13.140.3-22.6000116.2
495A22.3Very low27.1Very low104 Ų104140.7 Ų140.786%0.8681%0.812SS**  trans178.1152.1136.900000114
496E24.7Very low27Very low175 Ų175143.7 Ų143.782%0.81881%0.812SS**  trans-121.2172.4174.5-134.9-165.3-179.500108.6
497P35.9Very low27Very low111 Ų111146.5 Ų146.572%0.72181%0.807SS**  -162.2162.762.942.3-18.5000121.6
498V27.3Very low27.1Very low108 Ų108146.6 Ų146.666%0.65580%0.797SS**  trans84.3105.2132.6164.60000125.9
499K26Very low27.1Very low187 Ų187148.1 Ų148.181%0.81380%0.803SS**  69.2156.8123.4-60.5-177.4-178.2170.80127.6
500V25.8Very low27Very low134 Ų134148.3 Ų148.381%0.81280%0.801SS**  trans97.6126.3154.3-168.60000115.7
501K28.5Very low27.1Very low202 Ų202147.6 Ų147.688%0.87880%0.796SS**  cis113114.93-171.5-170.1-178.4-175.30115.6
502G26.6Very low27.2Very low65 Ų65152.5 Ų152.567%0.6780%0.799SS**  trans128.4146.6138.500000121.2
503W25.7Very low27.4Very low269 Ų269149.6 Ų149.6100%1.01979%0.785SS**  trans61.1150.9164.6-79.2-53.1000120.7
504G27.8Very low27.4Very low65 Ų65145.2 Ų145.267%0.6778%0.78SS**  cis149.3120.1-18.800000118.5
505R28.2Very low26.6Very low232 Ų232145.6 Ų145.688%0.87578%0.775SS**  trans79.3153.2143.7-120.1-179.2-165.8-149.73.3122.1
506F23.2Very low26.8Very low166 Ų166152.4 Ų152.473%0.72878%0.779SS**  trans74.7152.3167.4-87.9-113.7000119.7
507K26.7Very low27.1Very low150 Ų150150.7 Ų150.765%0.65278%0.775SS**  cis-169.5151.1-35.7-175.8171.9176.6-174.40109.5
508E26.6Very low26.8Very low156 Ų156154.3 Ų154.373%0.72978%0.779SS**  trans-17.9152.7170.3-57.3161.9120.300122
509S24.4Very low26.9Very low115 Ų115155.6 Ų155.680%0.80479%0.787SS**  144.6149.5126.6660000111.7
510M26Very low27Very low179 Ų179150.4 Ų150.488%0.88278%0.779SS**  cis-164.2156-10.3-140.4-178.4171.700110
511A26Very low27.1Very low85 Ų85152.2 Ų152.270%0.70278%0.776SS**  trans62.4156.9151.500000119
512K25.7Very low27.1Very low198 Ų198146.2 Ų146.286%0.86176%0.764SS**  cis-161.7134.6-10-113.8179.6177.3-1770105.7
513A26.6Very low27.2Very low76 Ų76149.6 Ų149.663%0.62876%0.763SS**  97.3163.688.700000115.1
514D25.9Very low27.2Very low152 Ų152141.9 Ų141.981%0.81375%0.749SS**  trans72.4115.8174.8-51.1-34.3000117.3
515N28.9Very low27.3Very low128 Ų128145.3 Ų145.368%0.68475%0.75SS**  cis84.3104.833.4-16918.9000114.6
516W26.8Very low27.3Very low248 Ų248141.9 Ų141.994%0.93974%0.744SS**  trans-157.2126.6136-107.3-19.8000115.1
517N29.5Very low27.6Very low138 Ų138140.3 Ų140.374%0.73875%0.748SS**  trans-63.2150.7149.6-80.9-30.9000110.9
518K30.6Very low27.7Very low187 Ų187141.3 Ų141.381%0.81376%0.759SS**  174.4123.7122.6-98.6174.9-179.4-178.40111
519V28.3Very low28Very low136 Ų136139.1 Ų139.182%0.82476%0.759SS**  77.8138.597.6166.70000111.2
520A28.9Very low27.9Very low78 Ų78143.1 Ų143.165%0.64577%0.765SS**  cis-156.3165.127.100000114
521K27.2Very low27.8Very low172 Ų172145.5 Ų145.575%0.74876%0.764SS**  trans45148.5131.1-71.8-166.5154.6-145.30122.7E523K521-E523 VanDerWaalsContact CE-OE1 3.22Å; K521-E523 WeakPolarHBondContact CE-OE1 3.44Å; K521-E523 IonicContact NZ-OE1 2.71Å; K521-E523 PolarHBondContact NZ-OE1 3.23Å; K521-E523 IonicContact NZ-OE2 2.69Å; K521-E523 PolarHBondContact NZ-OE2 3.44Å
522A28.9Very low27.8Very low75 Ų75145.7 Ų145.762%0.6276%0.757SS**  cis179.6-155.4-13.700000108.5
523E28.8Very low27.9Very low137 Ų137141.5 Ų141.564%0.6475%0.747SS**  cis-158.2135.8-3-141.9109.4-109.900107.4K521K521-E523 VanDerWaalsContact CE-OE1 3.22Å; K521-E523 WeakPolarHBondContact CE-OE1 3.44Å; K521-E523 IonicContact NZ-OE1 2.71Å; K521-E523 PolarHBondContact NZ-OE1 3.23Å; K521-E523 IonicContact NZ-OE2 2.69Å; K521-E523 PolarHBondContact NZ-OE2 3.44Å
524S26.2Very low27.9Very low106 Ų106144.8 Ų144.874%0.74175%0.75SS**  trans75.1153.2157.7-112.80000121.2
525M28.9Very low27.7Very low138 Ų138146 Ų14668%0.6875%0.75SS**  cis-159.6153.39.7-147.8149.874.800114.2
526E29.8Very low27.5Very low159 Ų159148.5 Ų148.574%0.74376%0.758SS**  trans67.5143.3149.8-87.3162.8-159.800121.9
527T29.5Very low27.7Very low134 Ų134142 Ų14282%0.82275%0.748SS**  cis-134.4170.12.535.20000113.6
528L27Very low27.5Very low170 Ų170144.1 Ų144.189%0.8975%0.753SS**  trans-77.2168.4-176-84.9160.3000116
529P33.3Very low27.4Very low110 Ų110142 Ų14271%0.71476%0.755SS**  trans-108.9175.7-17142.7-36.2000115.1
530E22.3Very low27.4Very low200 Ų200141.8 Ų141.894%0.93576%0.755SS**  trans-114139.1156.5-88.4-173.3142.400112.8
531R24.4Very low27.4Very low229 Ų229146.5 Ų146.586%0.86477%0.768SS**  trans-142.7151.2171-123.1-171.8153.2157.9-5.1103.1
532T26.9Very low27.5Very low89 Ų89147.7 Ų147.755%0.54677%0.773SS.*  cis-168133.926.9-3.20000104.8
533T27.1Very low27.7Very low109 Ų109152.5 Ų152.567%0.66978%0.78SS**  64.1165.4100.373.70000115.1
534E26.2Very low27.8Very low146 Ų146152.2 Ų152.268%0.68279%0.788SS**  cis-166.315223.3-147.1146.6-88.600112.5
535H22.9Very low28.1Very low177 Ų177153.6 Ų153.682%0.81979%0.787SS**  -179.4109.9121.5-102-48.2000113
536E23.3Very low28.1Very low181 Ų181152.9 Ų152.985%0.84680%0.796SS**  -160.5150.1121-94.2-140.3140.600109
537P31.2Very low28.3Very low111 Ų111151 Ų15172%0.72180%0.799SS**  trans-99135-161.135.6-33.1000115.2
538H26.6Very low28.2Very low182 Ų182152.3 Ų152.384%0.84380%0.801SS**  trans-95.1132.5156.7-82.3-84.8000110.7
539T27.7Very low28.6Very low142 Ų142149.3 Ų149.387%0.87179%0.794SS**  trans-100.2106.8160.352.30000109.9
540T28.3Very low28.6Very low133 Ų133147.7 Ų147.782%0.81680%0.798SS**PPolyproline II helixtrans-76.3142.4177.133.40000112.8
541L28.2Very low29Very low177 Ų177146.5 Ų146.593%0.92780%0.796SS**PPolyproline II helixtrans-60.8134.9179.8-71.3138.5000112.3
542K30.1Very low29.4Very low196 Ų196141.5 Ų141.585%0.85279%0.791SS**PPolyproline II helixtrans-96.3133.1159-77.8-175.4177.1178.30109.5
543K32.2Very low29.7Very low176 Ų176146 Ų14677%0.76580%0.803SS**PPolyproline II helixtrans-76.5126.2173.8-173.8-178.5178.5-171.50109.7D545K543-D545 WeakPolarHBondContact CE-OD1 3.32Å
544T32.4Very low30.1Very low131 Ų131146.1 Ų146.180%0.80481%0.808SS**  trans-123.9112.1166.749.60000108.9
545D32.2Very low30.7Very low136 Ų136145.8 Ų145.873%0.72781%0.811SS**  trans-73.9132.7166-63.4-54.6000109K543K543-D545 WeakPolarHBondContact CE-OD1 3.32Å
546S27.9Very low31.3Very low123 Ų123144.7 Ų144.786%0.8681%0.811SS**  trans-161138.7154.2-173.10000110
547C34.7Very low32Very low119 Ų119147.9 Ų147.980%0.80482%0.815SS**  trans-71.5150-174.7-45.90000112.7
548D28.3Very low32.2Very low161 Ų161149.2 Ų149.286%0.86182%0.815SS**  -151.9154.1106.2-153.3-3.3000111.2
549S35Very low32.5Very low108 Ų108147.3 Ų147.376%0.75581%0.811SS**  trans-129.1111-176-72.90000112
550G32.6Very low32.8Very low76 Ų76149.8 Ų149.878%0.78481%0.81SS**  trans58.5109.6145.600000118.5
551I30.4Very low33Very low174 Ų174150.4 Ų150.489%0.89281%0.813SS**  trans-124.2138.9142.2-109.5168.3000109.8
552T32.7Very low33.1Very low125 Ų125145.3 Ų145.377%0.76780%0.804SS**  trans-107.2156.8179.560.10000110
553K34.7Very low32.9Very low182 Ų182145.8 Ų145.879%0.79181%0.809SS**  trans83.3101.7154.7-130.7-176.5-175.7-170.90117.9
554S33.8Very low32.7Very low112 Ų112147.4 Ų147.478%0.78382%0.816SS**  trans-165.9108.6142.37.10000103.9
555D38.8Very low32.7Very low140 Ų140153.2 Ų153.275%0.74982%0.823SS**  43.589.361.2-76.8-37.2000112.4
556L35.7Very low32.5Very low154 Ų154155.2 Ų155.281%0.80683%0.83SS**  trans-144.599.7158.4-113.7162.7000109.8L558L556-L558 HydrophobicContact CD2-CD1 4.28Å
557R38.9Very low32.5Very low247 Ų247156 Ų15693%0.93283%0.831SS**  trans-111.596.1174.6177.6-170.3179.8126.8-0.9107.9
558L35.6Very low32.5Very low139 Ų139155.9 Ų155.973%0.72883%0.828SS**  trans-157.5136.4171.1-83.9170.2000106.9L556L556-L558 HydrophobicContact CD2-CD1 4.28Å
559D31.5Very low32.6Very low143 Ų143157.4 Ų157.477%0.76583%0.83SS**  cis-154164.1-20.9-150.4-13.1000109.4
560K35.7Very low32.2Very low194 Ų194160.2 Ų160.284%0.84384%0.836SS**  trans-87.6129.6173.6-79.8-174.5174.3-174.20110.8
561V31.9Very low32.1Very low146 Ų146167.3 Ų167.389%0.88584%0.84SS**  trans-133.9122.5158.6177.80000110.4
562G29.2Very low31.9Very low70 Ų70164.6 Ų164.672%0.72284%0.836SS**  trans82.596.515600000117.5
563E27.4Very low32.4Very low205 Ų205164.2 Ų164.296%0.95884%0.836SS**  -154.8133121.7-120176.1-160.500111.4
564F28.2Very low32.2Very low210 Ų210160.2 Ų160.292%0.92184%0.837SS**  trans-129.4102.2-174.2-147.2-75.5000107.3
565R30.8Very low32Very low253 Ų253164 Ų16496%0.95584%0.842SS**  trans-156154.4164-115.5170.2-165.3-156.62.8113.1
566M28.8Very low31.7Very low178 Ų178162.9 Ų162.988%0.87784%0.843SS**  trans-91.5149.2-159.9-60.5167.5159.400114.1
567T27.9Very low31.7Very low141 Ų141161.4 Ų161.487%0.86584%0.842SS**  trans-150151.813336.20000109.9
568P35.3Very low31.3Very low116 Ų116158.4 Ų158.475%0.75384%0.839SS**  trans-102153.7-159.638.1-35.3000116.6
569Q29.8Very low31Very low193 Ų193157.5 Ų157.590%0.90284%0.839SS**  trans35.1123.8147.3-71.2178-29.100121.3
570D27.4Very low30.9Very low166 Ų166163 Ų16389%0.88885%0.849SS**  -143.2164125.4-137.3-26.9000112.2
571R29.7Very low30.6Very low225 Ų225161.7 Ų161.785%0.84985%0.846SS**  trans-102.1128.1-159.5-72.9171.5161.1162.3-6.3116.7
572S25.3Very low30.6Very low117 Ų117159 Ų15982%0.81884%0.838SS**  trans53.6170.8133.1-57.60000121.1
573P43.8Very low30.6Very low118 Ų118165.2 Ų165.277%0.76685%0.846SS**  cis-133.5154.30.738.8-20.4000118.7
574A30.1Very low31.1Very low98 Ų98165.6 Ų165.681%0.8184%0.84SS**  trans50.8122.813800000124.4
575Q29.9Very low31.8Very low192 Ų192161 Ų16190%0.89783%0.831SS**  trans-146164.3139.4-95.4-152.5-14.800111.3
576P33.4Very low32.6Very low116 Ų116155.8 Ų155.875%0.75382%0.821SS**  trans-87.3176.8-153.6-1029.4000116.7
577P35.2Very low33.7Very low122 Ų122151.2 Ų151.279%0.79280%0.804SS**  trans-96.3136.1-169.436-31.7000114.4
578E30.3Very low35.1Very low185 Ų185152.8 Ų152.886%0.86480%0.802SS**  trans-129.6133.8163.3-69.3-165.1149.600112.7
579T28.7Very low36.2Very low120 Ų120154.7 Ų154.774%0.73680%0.801SS**  trans40.597154.2510000120.3H581T579-H581 PolarHBondContact O-N 2.98Å
580R29.1Very low38Very low257 Ų257149.6 Ų149.697%0.9778%0.783SS**  trans-67.5110.1156.5-73-178.2175179.4-1.7110.8
581H29.7Very low39.9Very low168 Ų168147.5 Ų147.578%0.77877%0.771SS**PPolyproline II helixtrans-84.3119.5155.3-82.4-61.2000109.9T579 F583T579-H581 PolarHBondContact O-N 2.98Å; H581-F583 PolarHBondContact O-N 3.46Å
582A32.1Very low42Very low88 Ų88142.7 Ų142.773%0.72776%0.758SS**PPolyproline II helixtrans-76.1118.6173.100000110
583F30.1Very low44.5Very low202 Ų202139.8 Ų139.889%0.88674%0.741SS**PPolyproline II helixtrans-74123.8165.2-89.1-96.2000109.3H581H581-F583 PolarHBondContact O-N 3.46Å
584Y36.4Very low46.1Very low213 Ų213137 Ų13784%0.83573%0.725SS**PPolyproline II helixtrans-72.5136166.8-88.8-97.2000109.7
585P43.1Very low48.5Very low112 Ų112137.9 Ų137.973%0.72772%0.715SS**PPolyproline II helixtrans-68.4146.5168.829.5-33.1000110.6
586I47.4Very low51Low145 Ų145134.7 Ų134.774%0.74470%0.7SS**PPolyproline II helixtrans-66136.3177.8-61.3169.5000109E588I586-E588 PolarHBondContact O-N 3.01Å
587P52Low53.7Low81 Ų81136 Ų13653%0.52670%0.696SS.*PPolyproline II helixtrans-62.6132.6-179.3-22.533.7000112.8Q589 T590P587-Q589 PolarHBondContact O-N 2.83Å; P587-T590 PolarHBondContact O-N 3.19Å
588E57.3Low56.1Low174 Ų174135.4 Ų135.481%0.81369%0.686SS**Hα-helixtrans-54.5-29.9179-64.4-179134.400113.2I586 T590 L591 Q592I586-E588 PolarHBondContact O-N 3.01Å; E588-T590 VanDerWaalsContact C-N 3.25Å; E588-T590 PolarHBondContact O-N 3.18Å; E588-L591 WeakPolarHBondContact O-CB 3.18Å; E588-L591 PolarHBondContact O-N 3.41Å; E588-L591 VanDerWaalsContact O-N 3.15Å; E588-Q592 PolarHBondContact O-N 2.92Å
589Q59.6Low58.9Low156 Ų156134.1 Ų134.173%0.72968%0.678SS**Hα-helixtrans-58-34.3176.7-66.3-179.3-14.400113P587 Q592 A593P587-Q589 PolarHBondContact O-N 2.83Å; Q589-Q592 PolarHBondContact O-N 3.33Å; Q589-A593 WeakPolarHBondContact O-CB 3.45Å; Q589-A593 PolarHBondContact O-N 3.13Å
590T68.3Low61.8Low87 Ų87134.3 Ų134.353%0.53467%0.671SS.*Hα-helixtrans-72-36.2178.7-490000111.6P587 E588 S594P587-T590 PolarHBondContact O-N 3.19Å; E588-T590 VanDerWaalsContact C-N 3.25Å; E588-T590 PolarHBondContact O-N 3.18Å; T590-S594 PolarHBondContact O-N 3.46Å; T590-S594 PolarHBondContact O-OG 2.95Å
591L67.2Low64.6Low122 Ų122127.8 Ų127.864%0.63965%0.652SS**Hα-helixtrans-70-36.9175.1-166.4102.6000111.6E588 S594 L595E588-L591 WeakPolarHBondContact O-CB 3.18Å; E588-L591 PolarHBondContact O-N 3.41Å; E588-L591 VanDerWaalsContact O-N 3.15Å; L591-S594 PolarHBondContact O-OG 3.15Å; L591-S594 VanDerWaalsContact O-OG 3.1Å; L591-L595 PolarHBondContact O-N 3.46Å
592Q72.8Confident67.3Low124 Ų124124.6 Ų124.658%0.57964%0.64SS**Hα-helixtrans-71.6-33.8178.6-160.5173.520.100112.2E588 Q589 Q596E588-Q592 PolarHBondContact O-N 2.92Å; Q589-Q592 PolarHBondContact O-N 3.33Å; Q592-Q596 WeakPolarHBondContact O-CG 3.36Å; Q592-Q596 PolarHBondContact O-N 2.97Å
593A77.8Confident70.1Confident56 Ų56126.2 Ų126.246%0.46363%0.631SS.*Hα-helixtrans-65.7-48.8174.300000112.2Q589 L595 Q596 E597Q589-A593 WeakPolarHBondContact O-CB 3.45Å; Q589-A593 PolarHBondContact O-N 3.13Å; A593-L595 VanDerWaalsContact C-N 3.31Å; A593-L595 PolarHBondContact O-N 3.46Å; A593-Q596 PolarHBondContact O-N 3.39Å; A593-E597 PolarHBondContact O-N 3.04Å
594S77Confident73.1Confident60 Ų60122.6 Ų122.642%0.4262%0.616SS.*Hα-helixtrans-64.8-33.8178.957.20000112.7T590 L591 Q596 E597 L598T590-S594 PolarHBondContact O-N 3.46Å; T590-S594 PolarHBondContact O-OG 2.95Å; L591-S594 PolarHBondContact O-OG 3.15Å; L591-S594 VanDerWaalsContact O-OG 3.1Å; S594-Q596 VanDerWaalsContact C-N 3.32Å; S594-Q596 PolarHBondContact O-N 3.08Å; S594-E597 PolarHBondContact O-N 2.99Å; S594-L598 WeakPolarHBondContact O-CB 3.34Å; S594-L598 PolarHBondContact O-N 3.21Å
595L82Confident75.6Confident116 Ų116116.9 Ų116.961%0.60760%0.601SS**Hα-helixtrans-64.3-33.2171.3-104.7168.2000113.4L591 A593 K599L591-L595 PolarHBondContact O-N 3.46Å; A593-L595 VanDerWaalsContact C-N 3.31Å; A593-L595 PolarHBondContact O-N 3.46Å; L595-K599 VanDerWaalsContact O-CB 3.27Å; L595-K599 WeakPolarHBondContact O-CB 3.27Å; L595-K599 PolarHBondContact O-N 2.86Å
596Q82.4Confident77.8Confident125 Ų125116.6 Ų116.658%0.58459%0.592SS**Hα-helixtrans-74.9-38.2175.7-73.5-177.86.600112.1Q592 A593 S594 K599 M600Q592-Q596 WeakPolarHBondContact O-CG 3.36Å; Q592-Q596 PolarHBondContact O-N 2.97Å; A593-Q596 PolarHBondContact O-N 3.39Å; S594-Q596 VanDerWaalsContact C-N 3.32Å; S594-Q596 PolarHBondContact O-N 3.08Å; Q596-K599 PolarHBondContact O-N 3.25Å; Q596-M600 WeakPolarHBondContact O-CG 3.32Å; Q596-M600 PolarHBondContact O-N 2.96Å; Q596-M600 VanDerWaalsContact O-N 3.1Å
597E89.3Confident79.8Confident143 Ų143116 Ų11667%0.66858%0.584SS**Hα-helixtrans-61.3-53175.7-169.7166.3-15400111.1A593 S594 K599 M600 E601A593-E597 PolarHBondContact O-N 3.04Å; S594-E597 PolarHBondContact O-N 2.99Å; E597-K599 VanDerWaalsContact C-N 3.29Å; E597-K599 PolarHBondContact O-N 3.4Å; E597-M600 WeakPolarHBondContact O-CA 3.49Å; E597-M600 WeakPolarHBondContact O-CB 3.43Å; E597-M600 PolarHBondContact O-N 3.43Å; E597-E601 PolarHBondContact O-N 3.46Å
598L84.9Confident81.6Confident110 Ų110116.1 Ų116.158%0.57658%0.58SS**Hα-helixtrans-61.5-35.3178.7-152.2164.5000112S594 M600 L602S594-L598 WeakPolarHBondContact O-CB 3.34Å; S594-L598 PolarHBondContact O-N 3.21Å; L598-M600 VanDerWaalsContact C-N 3.33Å; L598-M600 PolarHBondContact O-N 2.98Å; L598-L602 WeakPolarHBondContact O-CB 3.27Å; L598-L602 PolarHBondContact O-N 3.48Å
599K88.9Confident83.1Confident158 Ų158113.7 Ų113.769%0.68757%0.572SS**Hα-helixtrans-66.6-32.2173.4179.2178.3178.3179.20113L595 Q596 E597 K603L595-K599 VanDerWaalsContact O-CB 3.27Å; L595-K599 WeakPolarHBondContact O-CB 3.27Å; L595-K599 PolarHBondContact O-N 2.86Å; Q596-K599 PolarHBondContact O-N 3.25Å; E597-K599 VanDerWaalsContact C-N 3.29Å; E597-K599 PolarHBondContact O-N 3.4Å; K599-K603 WeakPolarHBondContact O-CB 3.13Å; K599-K603 PolarHBondContact O-N 3.36Å
600M89.9Confident84.5Confident123 Ų123109.9 Ų109.961%0.60656%0.563SS**Hα-helixtrans-77.1-42.2177.8-73.7-66.5-68.400111.2Q596 E597 L598 K603 E604Q596-M600 WeakPolarHBondContact O-CG 3.32Å; Q596-M600 PolarHBondContact O-N 2.96Å; Q596-M600 VanDerWaalsContact O-N 3.1Å; E597-M600 WeakPolarHBondContact O-CA 3.49Å; E597-M600 WeakPolarHBondContact O-CB 3.43Å; E597-M600 PolarHBondContact O-N 3.43Å; L598-M600 VanDerWaalsContact C-N 3.33Å; L598-M600 PolarHBondContact O-N 2.98Å; M600-K603 WeakPolarHBondContact O-CB 3.46Å; M600-K603 PolarHBondContact O-N 3.24Å; M600-E604 PolarHBondContact O-N 2.96Å
601E89.3Confident85.7Confident121 Ų121110.5 Ų110.557%0.56557%0.566SS**Hα-helixtrans-57.3-53.2174.1-171.4173-152.400111.3E597 K603 E604 D605E597-E601 PolarHBondContact O-N 3.46Å; E601-K603 PolarHBondContact O-N 2.99Å; E601-K603 VanDerWaalsContact O-N 3.15Å; E601-E604 WeakPolarHBondContact O-CA 3.42Å; E601-E604 WeakPolarHBondContact O-CB 3.5Å; E601-E604 PolarHBondContact O-N 2.73Å; E601-D605 PolarHBondContact O-N 3.3Å
602L86.1Confident86.8Confident100 Ų100113.8 Ų113.852%0.52457%0.57SS.*Hα-helixtrans-58.1-33.3176.6-174.467.1000113L598 I606L598-L602 WeakPolarHBondContact O-CB 3.27Å; L598-L602 PolarHBondContact O-N 3.48Å; L602-I606 HydrophobicContact CG-CD1 4.15Å; L602-I606 WeakPolarHBondContact O-CD1 3.4Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.26Å; L602-I606 PolarHBondContact O-N 2.99Å; L602-I606 VanDerWaalsContact O-N 3.08Å
603K90.9Very high87.6Confident122 Ų122113.2 Ų113.253%0.5357%0.569SS.*Hα-helixtrans-73.8-27.8177.6-175.4179.7179.5-176.80112.4K599 M600 E601 K607K599-K603 WeakPolarHBondContact O-CB 3.13Å; K599-K603 PolarHBondContact O-N 3.36Å; M600-K603 WeakPolarHBondContact O-CB 3.46Å; M600-K603 PolarHBondContact O-N 3.24Å; E601-K603 PolarHBondContact O-N 2.99Å; E601-K603 VanDerWaalsContact O-N 3.15Å; K603-K607 WeakPolarHBondContact O-CG 3.47Å; K603-K607 PolarHBondContact O-N 3.08Å
604E92.3Very high88.2Confident126 Ų126113.3 Ų113.359%0.58957%0.566SS**Hα-helixtrans-75.9-42.6173.5-170.2158.7176.100111.1M600 E601 I606 K607 N608M600-E604 PolarHBondContact O-N 2.96Å; E601-E604 WeakPolarHBondContact O-CA 3.42Å; E601-E604 WeakPolarHBondContact O-CB 3.5Å; E601-E604 PolarHBondContact O-N 2.73Å; E604-I606 PolarHBondContact O-N 3.13Å; E604-K607 WeakPolarHBondContact O-CB 3.15Å; E604-K607 PolarHBondContact O-N 3.24Å; E604-K607 VanDerWaalsContact O-N 3.13Å; E604-N608 PolarHBondContact O-N 3.29Å
605D88.3Confident88.9Confident94 Ų94112.1 Ų112.150%0.50356%0.563SS.*Hα-helixtrans-61.1-43.5174.8-78.9-20.6000113E601 K607 N608 L609E601-D605 PolarHBondContact O-N 3.3Å; D605-K607 VanDerWaalsContact C-N 3.26Å; D605-K607 PolarHBondContact O-N 3.03Å; D605-N608 PolarHBondContact O-N 3.01Å; D605-L609 WeakPolarHBondContact O-CB 3.41Å; D605-L609 PolarHBondContact O-N 2.96Å
606I90.1Very high89.2Confident105 Ų105111.7 Ų111.754%0.53856%0.561SS.*Hα-helixtrans-60.3-36.9175.3-71.6166.5000111.3L602 E604 S610L602-I606 HydrophobicContact CG-CD1 4.15Å; L602-I606 WeakPolarHBondContact O-CD1 3.4Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.26Å; L602-I606 PolarHBondContact O-N 2.99Å; L602-I606 VanDerWaalsContact O-N 3.08Å; E604-I606 PolarHBondContact O-N 3.13Å; I606-S610 WeakPolarHBondContact O-CB 3.21Å; I606-S610 PolarHBondContact O-N 2.99Å
607K89.7Confident89.6Confident134 Ų134111.4 Ų111.458%0.58356%0.56SS**Hα-helixtrans-68-46.1174.2-75.5175.6172.6-173.90111.7K603 E604 D605 L609 S610 V611K603-K607 WeakPolarHBondContact O-CG 3.47Å; K603-K607 PolarHBondContact O-N 3.08Å; E604-K607 WeakPolarHBondContact O-CB 3.15Å; E604-K607 PolarHBondContact O-N 3.24Å; E604-K607 VanDerWaalsContact O-N 3.13Å; D605-K607 VanDerWaalsContact C-N 3.26Å; D605-K607 PolarHBondContact O-N 3.03Å; K607-L609 VanDerWaalsContact C-N 3.29Å; K607-L609 PolarHBondContact O-N 3.05Å; K607-S610 WeakPolarHBondContact O-CB 3.48Å; K607-S610 PolarHBondContact O-N 2.7Å; K607-V611 WeakPolarHBondContact O-CG2 3.43Å; K607-V611 PolarHBondContact O-N 3.48Å
608N89.9Confident89.7Confident83 Ų83107.5 Ų107.544%0.44455%0.552SS.*Hα-helixtrans-60.4-40177.4-79.9-29.9000111.6E604 D605 V611 R612E604-N608 PolarHBondContact O-N 3.29Å; D605-N608 PolarHBondContact O-N 3.01Å; N608-V611 PolarHBondContact O-N 3.35Å; N608-R612 WeakPolarHBondContact O-CG 3.16Å; N608-R612 PolarHBondContact O-N 3.06Å
609L89.3Confident90Very high122 Ų122108.1 Ų108.164%0.63955%0.552SS**Hα-helixtrans-64.2-43.4174.6-171.666000111.7D605 K607 V611 R612 M613D605-L609 WeakPolarHBondContact O-CB 3.41Å; D605-L609 PolarHBondContact O-N 2.96Å; K607-L609 VanDerWaalsContact C-N 3.29Å; K607-L609 PolarHBondContact O-N 3.05Å; L609-V611 PolarHBondContact O-N 2.78Å; L609-R612 PolarHBondContact O-N 3.26Å; L609-M613 WeakPolarHBondContact O-CB 3.42Å; L609-M613 PolarHBondContact O-N 3.35Å
610S89.1Confident90Very high77 Ų77106.1 Ų106.154%0.53855%0.548SS..Hα-helixtrans-61.8-40176.5-176.90000112.9I606 K607 M613 S614I606-S610 WeakPolarHBondContact O-CB 3.21Å; I606-S610 PolarHBondContact O-N 2.99Å; K607-S610 WeakPolarHBondContact O-CB 3.48Å; K607-S610 PolarHBondContact O-N 2.7Å; S610-M613 PolarHBondContact O-N 2.52Å; S610-S614 PolarHBondContact O-N 2.89Å; S610-S614 PolarHBondContact O-OG 3.11Å; S610-S614 VanDerWaalsContact O-OG 3.06Å
611V92.4Very high90Very high100 Ų100103 Ų10361%0.60654%0.542SS*.Hα-helixtrans-66-39.8174.6173.70000111.5K607 N608 L609 S614 G615K607-V611 WeakPolarHBondContact O-CG2 3.43Å; K607-V611 PolarHBondContact O-N 3.48Å; N608-V611 PolarHBondContact O-N 3.35Å; L609-V611 PolarHBondContact O-N 2.78Å; V611-S614 PolarHBondContact O-OG 3.12Å; V611-G615 PolarHBondContact O-N 2.87Å; V611-G615 VanDerWaalsContact O-N 3.14Å
612R90.5Very high90.1Very high190 Ų190103.4 Ų103.472%0.71754%0.544SS*.Hα-helixtrans-65.7-39.9173.7-71.1178.1-177.7-1753.2112.4N608 L609 G615 L616N608-R612 WeakPolarHBondContact O-CG 3.16Å; N608-R612 PolarHBondContact O-N 3.06Å; L609-R612 PolarHBondContact O-N 3.26Å; R612-G615 PolarHBondContact O-N 3.47Å; R612-L616 PolarHBondContact O-N 3.4Å
613M89.2Confident90.2Very high112 Ų112102.5 Ų102.555%0.55254%0.543SS*.Hα-helixtrans-61.7-50.3178.2-166.773.318000111.5L609 S610 G615 L616 E617L609-M613 WeakPolarHBondContact O-CB 3.42Å; L609-M613 PolarHBondContact O-N 3.35Å; S610-M613 PolarHBondContact O-N 2.52Å; M613-G615 VanDerWaalsContact C-N 3.3Å; M613-G615 PolarHBondContact O-N 3.3Å; M613-L616 WeakPolarHBondContact O-CB 3.41Å; M613-L616 PolarHBondContact O-N 3.05Å; M613-L616 VanDerWaalsContact O-N 3.11Å; M613-E617 WeakPolarHBondContact O-CG 3.43Å; M613-E617 PolarHBondContact O-N 2.72Å
614S90.5Very high90Very high59 Ų59101.6 Ų101.641%0.41354%0.543SS..Hα-helixtrans-63.2-33176.752.40000113.4S610 V611 E617 A618S610-S614 PolarHBondContact O-N 2.89Å; S610-S614 PolarHBondContact O-OG 3.11Å; S610-S614 VanDerWaalsContact O-OG 3.06Å; V611-S614 PolarHBondContact O-OG 3.12Å; S614-E617 PolarHBondContact O-N 3.47Å; S614-A618 WeakPolarHBondContact O-CB 3.36Å; S614-A618 PolarHBondContact O-N 2.95Å
615G91.8Very high89.8Confident35 Ų35103.3 Ų103.336%0.36155%0.548SS..Hα-helixtrans-63-42.3170.600000113.1V611 R612 M613 A618 Q619V611-G615 PolarHBondContact O-N 2.87Å; V611-G615 VanDerWaalsContact O-N 3.14Å; R612-G615 PolarHBondContact O-N 3.47Å; M613-G615 VanDerWaalsContact C-N 3.3Å; M613-G615 PolarHBondContact O-N 3.3Å; G615-A618 PolarHBondContact O-N 2.98Å; G615-Q619 WeakPolarHBondContact O-CG 3.45Å; G615-Q619 PolarHBondContact O-N 3.04Å; G615-Q619 VanDerWaalsContact O-N 3.12Å
616L88Confident89.7Confident107 Ų107104.2 Ų104.256%0.5655%0.553SS**Hα-helixtrans-66.9-40174.9-73.9166.8000112.2R612 M613 A618 Q619 L620R612-L616 PolarHBondContact O-N 3.4Å; M613-L616 WeakPolarHBondContact O-CB 3.41Å; M613-L616 PolarHBondContact O-N 3.05Å; M613-L616 VanDerWaalsContact O-N 3.11Å; L616-A618 PolarHBondContact O-N 3.24Å; L616-Q619 PolarHBondContact O-N 3.35Å; L616-L620 WeakPolarHBondContact O-CB 3.49Å; L616-L620 PolarHBondContact O-N 2.99Å
617E91.9Very high89.1Confident118 Ų118104 Ų10455%0.55155%0.552SS**Hα-helixtrans-61.7-41.6174.9-72.3175.4168.500112M613 S614 L620 A621M613-E617 WeakPolarHBondContact O-CG 3.43Å; M613-E617 PolarHBondContact O-N 2.72Å; S614-E617 PolarHBondContact O-N 3.47Å; E617-L620 PolarHBondContact O-N 3.48Å; E617-A621 WeakPolarHBondContact O-CB 3.46Å; E617-A621 PolarHBondContact O-N 2.95Å
618A91Very high88.7Confident62 Ų62107.5 Ų107.551%0.51256%0.562SS.*Hα-helixtrans-63.1-44.1175.400000112.2S614 G615 L616 A621 E622S614-A618 WeakPolarHBondContact O-CB 3.36Å; S614-A618 PolarHBondContact O-N 2.95Å; G615-A618 PolarHBondContact O-N 2.98Å; L616-A618 PolarHBondContact O-N 3.24Å; A618-A621 PolarHBondContact O-N 3.1Å; A618-E622 PolarHBondContact O-N 3.28Å
619Q90.3Very high88Confident123 Ų123106.1 Ų106.158%0.57556%0.561SS**Hα-helixtrans-63-41.9175-73.3-179.1-17.700112G615 L616 A621 E622 V623G615-Q619 WeakPolarHBondContact O-CG 3.45Å; G615-Q619 PolarHBondContact O-N 3.04Å; G615-Q619 VanDerWaalsContact O-N 3.12Å; L616-Q619 PolarHBondContact O-N 3.35Å; Q619-A621 VanDerWaalsContact C-N 3.34Å; Q619-A621 PolarHBondContact O-N 3.19Å; Q619-E622 PolarHBondContact O-N 3.23Å; Q619-V623 WeakPolarHBondContact O-CG2 3.4Å; Q619-V623 PolarHBondContact O-N 3.45Å
620L89.4Confident87Confident116 Ų116109.2 Ų109.261%0.60757%0.565SS**Hα-helixtrans-63.1-41.3176.8-164106.2000111.4L616 E617 V623 L624L616-L620 WeakPolarHBondContact O-CB 3.49Å; L616-L620 PolarHBondContact O-N 2.99Å; E617-L620 PolarHBondContact O-N 3.48Å; L620-V623 PolarHBondContact O-N 3.03Å; L620-L624 HydrophobicContact CD2-CD1 4.03Å; L620-L624 HydrophobicContact CG-CD1 4.42Å; L620-L624 WeakPolarHBondContact O-CB 3.46Å; L620-L624 VanDerWaalsContact O-CG 3.29Å; L620-L624 WeakPolarHBondContact O-CG 3.04Å; L620-L624 PolarHBondContact O-N 3.41Å
621A89.7Confident85.6Confident58 Ų58114 Ų11448%0.47958%0.576SS.*Hα-helixtrans-63.9-38.8175.600000112.5E617 A618 Q619 L624 K625E617-A621 WeakPolarHBondContact O-CB 3.46Å; E617-A621 PolarHBondContact O-N 2.95Å; A618-A621 PolarHBondContact O-N 3.1Å; Q619-A621 VanDerWaalsContact C-N 3.34Å; Q619-A621 PolarHBondContact O-N 3.19Å; A621-L624 PolarHBondContact O-N 3.46Å; A621-K625 WeakPolarHBondContact O-CB 3.17Å; A621-K625 PolarHBondContact O-N 3.18Å
622E91.1Very high83.8Confident128 Ų128113.7 Ų113.760%0.59858%0.578SS**Hα-helixtrans-67.4-44.1175.6-173.1166.2-149.700112.1A618 Q619 L624 K625 L626A618-E622 PolarHBondContact O-N 3.28Å; Q619-E622 PolarHBondContact O-N 3.23Å; E622-L624 VanDerWaalsContact C-N 3.35Å; E622-L624 PolarHBondContact O-N 3.49Å; E622-K625 WeakPolarHBondContact O-CB 3.27Å; E622-K625 PolarHBondContact O-N 3.1Å; E622-K625 VanDerWaalsContact O-N 3.15Å; E622-L626 HydrophobicContact CG-CD1 4.45Å; E622-L626 WeakPolarHBondContact O-CG 3.31Å; E622-L626 PolarHBondContact O-N 3.34Å
623V88.9Confident82Confident82 Ų82109 Ų10950%0.49757%0.574SS.*Hα-helixtrans-59.8-44.2173.7170.70000111.2Q619 L620 K625 L626 L627Q619-V623 WeakPolarHBondContact O-CG2 3.4Å; Q619-V623 PolarHBondContact O-N 3.45Å; L620-V623 PolarHBondContact O-N 3.03Å; V623-K625 VanDerWaalsContact C-N 3.32Å; V623-K625 PolarHBondContact O-N 3.32Å; V623-L626 PolarHBondContact O-N 3.43Å; V623-L627 HydrophobicContact CG1-CD1 3.99Å; V623-L627 HydrophobicContact CG1-CG 4.45Å; V623-L627 WeakPolarHBondContact O-CB 3.25Å; V623-L627 WeakPolarHBondContact O-CG 3.5Å; V623-L627 PolarHBondContact O-N 3.23Å
624L86.1Confident80.2Confident102 Ų102108.8 Ų108.853%0.53458%0.58SS.*Hα-helixtrans-62.9-37.1175.5-74.2169.6000112.3L620 A621 E622 R628L620-L624 HydrophobicContact CD2-CD1 4.03Å; L620-L624 HydrophobicContact CG-CD1 4.42Å; L620-L624 WeakPolarHBondContact O-CB 3.46Å; L620-L624 VanDerWaalsContact O-CG 3.29Å; L620-L624 WeakPolarHBondContact O-CG 3.04Å; L620-L624 PolarHBondContact O-N 3.41Å; A621-L624 PolarHBondContact O-N 3.46Å; E622-L624 VanDerWaalsContact C-N 3.35Å; E622-L624 PolarHBondContact O-N 3.49Å; L624-R628 WeakPolarHBondContact O-CB 2.93Å; L624-R628 PolarHBondContact O-N 2.8Å
625K88.3Confident77.9Confident162 Ų162109.6 Ų109.670%0.70460%0.597SS**Hα-helixtrans-65.3-43.1174.9-171.1-179.7179.4-175.60111.7A621 E622 V623 R628 A629A621-K625 WeakPolarHBondContact O-CB 3.17Å; A621-K625 PolarHBondContact O-N 3.18Å; E622-K625 WeakPolarHBondContact O-CB 3.27Å; E622-K625 PolarHBondContact O-N 3.1Å; E622-K625 VanDerWaalsContact O-N 3.15Å; V623-K625 VanDerWaalsContact C-N 3.32Å; V623-K625 PolarHBondContact O-N 3.32Å; K625-R628 PolarHBondContact O-N 2.79Å; K625-A629 WeakPolarHBondContact O-CB 3.47Å; K625-A629 PolarHBondContact O-N 3.46Å
626L85.7Confident75.1Confident114 Ų114113.7 Ų113.760%0.59762%0.62SS**Hα-helixtrans-65.1-42.7176-70.6170.2000112.2E622 V623 R628 A629 R630E622-L626 HydrophobicContact CG-CD1 4.45Å; E622-L626 WeakPolarHBondContact O-CG 3.31Å; E622-L626 PolarHBondContact O-N 3.34Å; V623-L626 PolarHBondContact O-N 3.43Å; L626-R628 VanDerWaalsContact C-N 3.32Å; L626-R628 PolarHBondContact O-N 3.22Å; L626-A629 PolarHBondContact O-N 2.54Å; L626-R630 WeakPolarHBondContact O-CB 3.35Å; L626-R630 PolarHBondContact O-N 3.22Å
627L78.5Confident72.8Confident101 Ų101117.5 Ų117.553%0.52964%0.635SS.*Hα-helixtrans-62.8-38.6174.7-71.8171.4000111.9V623 K631V623-L627 HydrophobicContact CG1-CD1 3.99Å; V623-L627 HydrophobicContact CG1-CG 4.45Å; V623-L627 WeakPolarHBondContact O-CB 3.25Å; V623-L627 WeakPolarHBondContact O-CG 3.5Å; V623-L627 PolarHBondContact O-N 3.23Å; L627-K631 WeakPolarHBondContact O-CB 3.42Å; L627-K631 PolarHBondContact O-N 3.38Å; L627-K631 VanDerWaalsContact O-N 3.09Å
628R81.6Confident70Confident207 Ų207120.9 Ų120.978%0.78165%0.651SS**Hα-helixtrans-67-43175.6-159.3172.7-166159.23.4111.8L624 K625 L626 K631 S632L624-R628 WeakPolarHBondContact O-CB 2.93Å; L624-R628 PolarHBondContact O-N 2.8Å; K625-R628 PolarHBondContact O-N 2.79Å; L626-R628 VanDerWaalsContact C-N 3.32Å; L626-R628 PolarHBondContact O-N 3.22Å; R628-K631 PolarHBondContact O-N 3.05Å; R628-S632 PolarHBondContact O-N 3Å; R628-S632 VanDerWaalsContact O-N 3.09Å; R628-S632 PolarHBondContact O-OG 3.15Å
629A74.6Confident67.6Low53 Ų53124.1 Ų124.144%0.43867%0.667SS.*Hα-helixtrans-62.1-42.2175.900000112.4K625 L626 K631 S632 S633K625-A629 WeakPolarHBondContact O-CB 3.47Å; K625-A629 PolarHBondContact O-N 3.46Å; L626-A629 PolarHBondContact O-N 2.54Å; A629-K631 VanDerWaalsContact C-N 3.3Å; A629-K631 PolarHBondContact O-N 3.01Å; A629-S632 WeakPolarHBondContact CA-OG 3.45Å; A629-S632 PolarHBondContact O-N 3.48Å; A629-S632 PolarHBondContact O-OG 3.05Å; A629-S633 PolarHBondContact O-N 3.28Å
630R67.8Low64.9Low187 Ų187125.8 Ų125.871%0.70668%0.679SS**Hα-helixtrans-65.5-31.3175.7-168.6176.2-175.2-176.61.9112.8L626 S633 T634L626-R630 WeakPolarHBondContact O-CB 3.35Å; L626-R630 PolarHBondContact O-N 3.22Å; R630-S633 PolarHBondContact O-OG 2.98Å; R630-S633 VanDerWaalsContact O-OG 3.07Å; R630-T634 PolarHBondContact O-OG1 3.06Å
631K61.2Low62.3Low178 Ų178130.6 Ų130.677%0.77470%0.695SS**Hα-helixtrans-76.9-27.2176.5-154.6172.2-173.4179.10112.7L627 R628 A629 T634L627-K631 WeakPolarHBondContact O-CB 3.42Å; L627-K631 PolarHBondContact O-N 3.38Å; L627-K631 VanDerWaalsContact O-N 3.09Å; R628-K631 PolarHBondContact O-N 3.05Å; A629-K631 VanDerWaalsContact C-N 3.3Å; A629-K631 PolarHBondContact O-N 3.01Å; K631-T634 PolarHBondContact O-OG1 3.44Å
632S53.7Low59.7Low93 Ų93134.6 Ų134.665%0.6571%0.708SS**Hα-helixtrans-78-22.1171.145.90000114.3R628 A629 T634R628-S632 PolarHBondContact O-N 3Å; R628-S632 VanDerWaalsContact O-N 3.09Å; R628-S632 PolarHBondContact O-OG 3.15Å; A629-S632 WeakPolarHBondContact CA-OG 3.45Å; A629-S632 PolarHBondContact O-N 3.48Å; A629-S632 PolarHBondContact O-OG 3.05Å; S632-T634 VanDerWaalsContact C-N 3.32Å; S632-T634 PolarHBondContact O-N 3.26Å
633S53.3Low57.1Low91 Ų91136 Ų13664%0.63672%0.718SS**THydrogen-bonded Turntrans-85.41.9178.968.30000114.5A629 R630A629-S633 PolarHBondContact O-N 3.28Å; R630-S633 PolarHBondContact O-OG 2.98Å; R630-S633 VanDerWaalsContact O-OG 3.07Å
634T50Low54.4Low109 Ų109137.1 Ų137.167%0.66973%0.73SS**THydrogen-bonded Turntrans-119.131.4-178.150.50000112.4R630 K631 S632R630-T634 PolarHBondContact O-OG1 3.06Å; K631-T634 PolarHBondContact O-OG1 3.44Å; S632-T634 VanDerWaalsContact C-N 3.32Å; S632-T634 PolarHBondContact O-N 3.26Å
635G42.7Very low51.9Low75 Ų75143.8 Ų143.877%0.77375%0.748SS**  trans-111.664.1177.500000113.2
636S34.2Very low49.4Very low122 Ų122142 Ų14285%0.85375%0.753SS**  trans-154.4127161.5-172.70000109
637E38.4Very low46.8Very low186 Ų186143.5 Ų143.587%0.86977%0.767SS**  trans-83.2137.6-169.1-55.9174.1135.500112.5
638Q33.2Very low44.6Very low189 Ų189144 Ų14488%0.88378%0.779SS**  trans-149.3137.9139.1-76.5-157.2-28.800109.2
639P42Very low42.6Very low130 Ų130139.2 Ų139.284%0.84478%0.775SS**  trans-88.2128.3-177.333.6-32.1000111.3
640L32.4Very low40.5Very low158 Ų158145.3 Ų145.383%0.82779%0.794SS**  trans-145.277.9173.8-146.8158.7000109.8
641F36.3Very low38.9Very low217 Ų217144.6 Ų144.695%0.95280%0.804SS**  trans-118.496165.6-95.5-74.2000108.4
642D34.9Very low37.6Very low142 Ų142143.5 Ų143.576%0.75981%0.806SS**  trans-150.3156.1161.3-136.8-25.2000108.1
643I35.1Very low36.9Very low158 Ų158148.2 Ų148.281%0.8182%0.815SS**  trans70.5125.6-174.7-48.7165.7000113.1
644S33.3Very low36.2Very low105 Ų105152.1 Ų152.173%0.73482%0.823SS**  cis-164.9144.2-11.250.40000108.9
645R33Very low35.8Very low242 Ų242155.2 Ų155.291%0.91384%0.835SS**  trans-116.9134.2165.6-113.8-177.9179177.4-0.4109.6
646P34.9Very low35.7Very low125 Ų125158 Ų15881%0.81283%0.831SS**  trans-75.9147.7-178.331.1-34.8000112
647T32.6Very low35.9Very low146 Ų146161.5 Ų161.590%0.89683%0.832SS**  trans-75.5144.5178.5-11.90000111.9
648S30.8Very low35.8Very low112 Ų112162.1 Ų162.178%0.78386%0.856SS**  trans-128.7145.6164.2-169.20000107.9
649P39.9Very low36Very low106 Ų106160.8 Ų160.869%0.68886%0.855SS**  trans-94.2161.4-154.336.1-37000115.6
650E31.8Very low35.6Very low180 Ų180162.4 Ų162.484%0.84186%0.856SS**  trans53.4116.1149.5-69.3175.6172.900120.2
651L32.5Very low35.8Very low173 Ų173162.7 Ų162.791%0.90686%0.857SS**  -164.899.7125.9-107.8160000110.6
652D35.6Very low35.8Very low154 Ų154159.5 Ų159.582%0.82485%0.852SS**  trans-70.4133.2165.7-75.3-46.1000110.6
653K37.8Very low35.8Very low193 Ų193160.6 Ų160.684%0.83986%0.857SS**  trans-176.5101.2136.1-102.4158.2-173.4177.10113.7
654E38.2Very low35.9Very low173 Ų173160.7 Ų160.781%0.80886%0.861SS**  trans29.7119.2134.4-59.1-179.3140.400120.3
655D43Very low36.1Very low173 Ų173164.7 Ų164.793%0.92587%0.87SS**  trans-68120.1158.7-72.1-56.6000111.8
656I40.7Very low36.3Very low135 Ų135158.8 Ų158.869%0.69287%0.866SS**  trans-139.6104.4161.8-65.3-172000110.4
657F37.6Very low36.4Very low195 Ų195161.6 Ų161.686%0.85587%0.871SS**  trans44.9101.9152.7-69.6-103.3000120.2
658S36.7Very low36.8Very low199 Ų199163 Ų163100%1.39287%0.869SS**  168.80112.5-70.50000112.3

Retrieved 658 of 658 residues in 302.2 ms (Link to these results)

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