A0A096MTS1_PAPAN Loading...

Ankyrin repeat and SOCS box protein 4

AlphaFold DB (F7H7H1), UniProt , Accession A0A096MTS1, Species PAPAN (Papio anubis, Olive baboon), Gene ASB4, Length 426 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
1M42Very low49.2Very low232 Ų232127.3 Ų127.3100%1.14377%0.766SS**  0102.50-63.7176.8-179.300104.5
2D36.1Very low51.4Low148 Ų148119.1 Ų119.179%0.79173%0.727SS**  cis-148.4136.828.2-73.7-36.7000111.2T4D2-T4 PolarHBondContact O-N 2.85Å
3G40.8Very low53.4Low75 Ų75113.1 Ų113.177%0.77370%0.697SS**  trans-76.5105169.800000109.6T5G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.01Å
4T37.7Very low55.3Low137 Ų137109.5 Ų109.584%0.8468%0.684SS**  trans-76.688.8165.945.80000108.6D2 A6D2-T4 PolarHBondContact O-N 2.85Å; T4-A6 PolarHBondContact O-N 2.83Å; T4-A6 VanDerWaalsContact O-N 3.11Å
5T47.8Very low57.3Low134 Ų134110.9 Ų110.982%0.82268%0.677SS**  trans-62.3106.9163.442.30000107.7G3G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.01Å
6A45.2Very low59.2Low82 Ų82109.8 Ų109.868%0.67867%0.665SS**  trans-55.9130.3171.300000108.2T4 V8T4-A6 PolarHBondContact O-N 2.83Å; T4-A6 VanDerWaalsContact O-N 3.11Å; A6-V8 PolarHBondContact O-N 3.48Å
7P45.9Very low61Low116 Ų116104.8 Ų104.875%0.75363%0.634SS**  trans-63.6116.6-177.124.5-31000107.8T9P7-T9 PolarHBondContact O-N 3.47Å
8V53Low62.5Low107 Ų107103.6 Ų103.665%0.64862%0.619SS**  trans-56109.2171.1-1790000106A6 K10 A13A6-V8 PolarHBondContact O-N 3.48Å; V8-K10 PolarHBondContact O-N 3.13Å; V8-A13 HydrophobicContact CG1-CB 3.84Å
9T58.8Low63.9Low96 Ų96107.2 Ų107.259%0.58962%0.621SS**  trans-55.7142.5177.156.30000108.2P7 S11 G12 A13P7-T9 PolarHBondContact O-N 3.47Å; T9-S11 PolarHBondContact O-N 3.12Å; T9-G12 WeakPolarHBondContact O-CA 3.18Å; T9-G12 PolarHBondContact O-N 3.2Å; T9-G12 PolarHBondContact OG1-N 2.81Å; T9-A13 PolarHBondContact O-N 3.32Å; T9-A13 VanDerWaalsContact O-N 3.14Å
10K64.8Low65.3Low199 Ų199104.4 Ų104.487%0.86560%0.603SS**Hα-helixtrans-49.6-31.3-179.2-71.5-177.1176.7-179.80112.6V8 A14V8-K10 PolarHBondContact O-N 3.13Å; K10-A14 PolarHBondContact O-N 3.12Å
11S69.1Low66.6Low74 Ų7499.4 Ų99.452%0.51758%0.575SS.*Hα-helixtrans-68.4-39.8173.6-1770000114T9 K15T9-S11 PolarHBondContact O-N 3.12Å; S11-K15 WeakPolarHBondContact O-CG 2.87Å; S11-K15 PolarHBondContact O-N 3.36Å
12G75.4Confident69Low29 Ų2989.8 Ų89.830%0.29953%0.528SS..Hα-helixtrans-67.1-40.2175.200000112.9T9 K15 L16T9-G12 WeakPolarHBondContact O-CA 3.18Å; T9-G12 PolarHBondContact O-N 3.2Å; T9-G12 PolarHBondContact OG1-N 2.81Å; G12-K15 PolarHBondContact O-N 2.96Å; G12-L16 PolarHBondContact O-N 2.72Å; G12-L16 VanDerWaalsContact O-N 3.08Å
13A77.1Confident71.6Confident41 Ų4187.8 Ų87.834%0.33951%0.514SS..Hα-helixtrans-63.7-45.8176.800000111.6V8 T9 K15 L16 V17V8-A13 HydrophobicContact CG1-CB 3.84Å; T9-A13 PolarHBondContact O-N 3.32Å; T9-A13 VanDerWaalsContact O-N 3.14Å; A13-K15 PolarHBondContact O-N 3.29Å; A13-L16 PolarHBondContact O-N 3.46Å; A13-V17 WeakPolarHBondContact O-CG2 3.5Å; A13-V17 PolarHBondContact O-N 3.09Å
14A80.1Confident74.1Confident63 Ų6384.2 Ų84.252%0.52148%0.477SS..Hα-helixtrans-62.1-39.9177.400000112.9K10 L16 V17 K18K10-A14 PolarHBondContact O-N 3.12Å; A14-L16 VanDerWaalsContact C-N 3.34Å; A14-L16 PolarHBondContact O-N 3.29Å; A14-V17 PolarHBondContact O-N 3.12Å; A14-K18 PolarHBondContact O-N 3.26Å
15K85.1Confident76.8Confident131 Ų13177.7 Ų77.757%0.5744%0.437SS*.Hα-helixtrans-63.9-38174.6-75.7180-178.1-1790112.4S11 G12 A13 K18 R19S11-K15 WeakPolarHBondContact O-CG 2.87Å; S11-K15 PolarHBondContact O-N 3.36Å; G12-K15 PolarHBondContact O-N 2.96Å; A13-K15 PolarHBondContact O-N 3.29Å; K15-K18 PolarHBondContact O-N 3.03Å; K15-R19 WeakPolarHBondContact O-CG 3.49Å; K15-R19 PolarHBondContact O-N 2.85Å; K15-R19 VanDerWaalsContact O-N 3.08Å
16L88.3Confident78.8Confident93 Ų9376 Ų7649%0.48742%0.418SS..Hα-helixtrans-66.9-45.2177.5-175.463.5000111.3G12 A13 A14 K18 R19 N20G12-L16 PolarHBondContact O-N 2.72Å; G12-L16 VanDerWaalsContact O-N 3.08Å; A13-L16 PolarHBondContact O-N 3.46Å; A14-L16 VanDerWaalsContact C-N 3.34Å; A14-L16 PolarHBondContact O-N 3.29Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.42Å; L16-R19 PolarHBondContact O-N 3.28Å; L16-N20 WeakPolarHBondContact O-CB 3.19Å; L16-N20 PolarHBondContact O-N 2.93Å; L16-N20 PolarHBondContact O-OD1 3.48Å
17V89Confident81.1Confident24 Ų2475.7 Ų75.715%0.14541%0.411CS..Hα-helixtrans-58.5-45174.9175.60000110.7A13 A14 R19 N20 F21 I36 Q41 I42A13-V17 WeakPolarHBondContact O-CG2 3.5Å; A13-V17 PolarHBondContact O-N 3.09Å; A14-V17 PolarHBondContact O-N 3.12Å; V17-R19 VanDerWaalsContact C-N 3.34Å; V17-R19 PolarHBondContact O-N 2.99Å; V17-N20 PolarHBondContact O-N 3.46Å; V17-F21 WeakPolarHBondContact O-CB 3.26Å; V17-F21 PolarHBondContact O-N 3.18Å; V17-I36 HydrophobicContact CG1-CG2 4.15Å; V17-Q41 HydrophobicContact CG1-CB 3.76Å; V17-Q41 HydrophobicContact CG2-CB 4.41Å; V17-I42 HydrophobicContact CG1-CB 4.03Å; V17-I42 HydrophobicContact CG1-CD1 4.5Å
18K88.7Confident83.3Confident83 Ų8372.9 Ų72.936%0.36139%0.389SS..Hα-helixtrans-59.2-42.4177.2-168176.7-177.4172.30112.4A14 K15 L16 L22 I42 T46 V47 F48A14-K18 PolarHBondContact O-N 3.26Å; K15-K18 PolarHBondContact O-N 3.03Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.42Å; K18-L22 WeakPolarHBondContact O-CB 3.5Å; K18-L22 PolarHBondContact O-N 3.2Å; K18-L22 VanDerWaalsContact O-N 3.09Å; K18-I42 HydrophobicContact CB-CD1 4.26Å; K18-I42 HydrophobicContact CG-CD1 4.33Å; K18-T46 HydrophobicContact CD-CG2 4.45Å; K18-V47 WeakPolarHBondContact CE-O 3.39Å; K18-V47 PolarHBondContact NZ-O 3.39Å; K18-F48 HydrophobicContact CD-CD1 4.43Å; K18-F48 HydrophobicContact CD-CE1 4.36Å; K18-F48 HydrophobicContact CG-CD1 3.9Å; K18-F48 HydrophobicContact CG-CE1 3.49Å; K18-F48 VanDerWaalsContact CG-CE1 3.49Å
19R89.3Confident85.2Confident172 Ų17270.8 Ų70.865%0.64938%0.375SS*.Hα-helixtrans-66.6-44.9175.6-73-177.7-166150.8-0.1112.1K15 L16 V17 F21 L22 E23K15-R19 WeakPolarHBondContact O-CG 3.49Å; K15-R19 PolarHBondContact O-N 2.85Å; K15-R19 VanDerWaalsContact O-N 3.08Å; L16-R19 PolarHBondContact O-N 3.28Å; V17-R19 VanDerWaalsContact C-N 3.34Å; V17-R19 PolarHBondContact O-N 2.99Å; R19-F21 VanDerWaalsContact C-N 3.29Å; R19-F21 PolarHBondContact O-N 3.39Å; R19-L22 PolarHBondContact O-N 2.92Å; R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 PolarHBondContact O-N 3.41Å
20N91.5Very high86.8Confident52 Ų5271.1 Ų71.128%0.27837%0.368SS..Hα-helixtrans-62.7-37.6179.8-69.4-6.5000111.9L16 V17 A24 I36L16-N20 WeakPolarHBondContact O-CB 3.19Å; L16-N20 PolarHBondContact O-N 2.93Å; L16-N20 PolarHBondContact O-OD1 3.48Å; V17-N20 PolarHBondContact O-N 3.46Å; N20-A24 WeakPolarHBondContact O-CB 3.47Å; N20-A24 PolarHBondContact O-N 2.79Å; N20-I36 HydrophobicContact CB-CD1 4.45Å
21F92.3Very high88.1Confident0 Ų063.5 Ų63.50%035%0.346CS..Hα-helixtrans-66.6-46.1174.9-171-87.1000111.5V17 R19 E23 A24 L25 L33 I36 L37 I42 F48 L94V17-F21 WeakPolarHBondContact O-CB 3.26Å; V17-F21 PolarHBondContact O-N 3.18Å; R19-F21 VanDerWaalsContact C-N 3.29Å; R19-F21 PolarHBondContact O-N 3.39Å; F21-E23 VanDerWaalsContact C-N 3.33Å; F21-E23 PolarHBondContact O-N 3.31Å; F21-A24 PolarHBondContact O-N 3.1Å; F21-L25 HydrophobicContact CD1-CD1 3.69Å; F21-L25 HydrophobicContact CD1-CG 4.21Å; F21-L25 HydrophobicContact CE1-CD1 3.54Å; F21-L25 HydrophobicContact CE1-CG 4.15Å; F21-L25 WeakPolarHBondContact O-CG 3.48Å; F21-L25 PolarHBondContact O-N 2.91Å; F21-L33 HydrophobicContact CD1-CD1 4.25Å; F21-L33 HydrophobicContact CD2-CD1 3.64Å; F21-L33 HydrophobicContact CE1-CD1 4.03Å; F21-L33 HydrophobicContact CE2-CD1 3.33Å; F21-L33 HydrophobicContact CE2-CG 4.29Å; F21-L33 HydrophobicContact CG-CD1 4.12Å; F21-L33 HydrophobicContact CZ-CD1 3.57Å; F21-I36 HydrophobicContact CD2-CB 4.4Å; F21-I36 HydrophobicContact CD2-CG2 3.89Å; F21-L37 HydrophobicContact CE2-CD1 4.49Å; F21-L37 HydrophobicContact CE2-CD2 3.77Å; F21-L37 HydrophobicContact CE2-CG 4Å; F21-L37 HydrophobicContact CZ-CD2 4.26Å; F21-I42 HydrophobicContact CB-CD1 4.17Å; F21-I42 HydrophobicContact CD2-CG2 3.55Å; F21-I42 HydrophobicContact CE2-CG2 3.76Å; F21-I42 HydrophobicContact CG-CD1 4.29Å; F21-I42 HydrophobicContact CG-CG2 4.19Å; F21-F48 HydrophobicContact CD1-CE1 4.05Å; F21-F48 AromaticContact CD1-CE2 3.79Å; F21-F48 HydrophobicContact CD1-CE2 3.79Å; F21-F48 AromaticContact CD1-CZ 3.22Å; F21-F48 HydrophobicContact CD1-CZ 3.22Å; F21-F48 AromaticContact CE1-CE2 3.78Å; F21-F48 HydrophobicContact CE1-CE2 3.78Å; F21-F48 AromaticContact CE1-CZ 3.64Å; F21-F48 HydrophobicContact CE1-CZ 3.64Å; F21-F48 HydrophobicContact CG-CZ 4.17Å; F21-L94 HydrophobicContact CZ-CD2 3.85Å
22L92.1Very high89.2Confident30 Ų3063.3 Ų63.316%0.15734%0.336CS..Hα-helixtrans-61.9-40.7176.2-179.762.1000112K18 R19 L25 K26 F48 V50 L81K18-L22 WeakPolarHBondContact O-CB 3.5Å; K18-L22 PolarHBondContact O-N 3.2Å; K18-L22 VanDerWaalsContact O-N 3.09Å; R19-L22 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 3.44Å; L22-K26 WeakPolarHBondContact O-CG 3.45Å; L22-K26 PolarHBondContact O-N 3.49Å; L22-F48 HydrophobicContact CB-CD1 4.01Å; L22-F48 HydrophobicContact CB-CE1 4.15Å; L22-F48 HydrophobicContact CD1-CB 4.28Å; L22-F48 HydrophobicContact CD1-CD1 4.2Å; L22-F48 HydrophobicContact CD1-CG 4.16Å; L22-F48 HydrophobicContact CD2-CD1 4.46Å; L22-F48 HydrophobicContact CG-CD1 4.46Å; L22-V50 HydrophobicContact CD1-CG2 3.98Å; L22-L81 HydrophobicContact CD1-CD1 3.44Å; L22-L81 VanDerWaalsContact CD1-CD1 3.44Å
23E92.6Very high90Very high106 Ų10662 Ų6250%0.49532%0.322SS..Hα-helixtrans-63.4-46175.6-174.6-175.3-147.100111.2R19 F21 L25 K26 S27 K32R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 PolarHBondContact O-N 3.41Å; F21-E23 VanDerWaalsContact C-N 3.33Å; F21-E23 PolarHBondContact O-N 3.31Å; E23-L25 VanDerWaalsContact C-N 3.27Å; E23-L25 PolarHBondContact O-N 3.32Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact O-N 3.07Å; E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3.25Å; E23-S27 PolarHBondContact O-OG 3.2Å; E23-S27 VanDerWaalsContact O-OG 3.11Å; E23-K32 IonicContact OE2-NZ 2.69Å; E23-K32 PolarHBondContact OE2-NZ 3.47Å
24A93Very high90.7Very high0 Ų065.1 Ų65.10%033%0.328CS..Hα-helixtrans-58.9-39.4176.400000112.1N20 F21 S27 N28 D29 K32N20-A24 WeakPolarHBondContact O-CB 3.47Å; N20-A24 PolarHBondContact O-N 2.79Å; F21-A24 PolarHBondContact O-N 3.1Å; A24-S27 PolarHBondContact O-OG 2.95Å; A24-N28 PolarHBondContact O-N 2.91Å; A24-D29 HydrophobicContact CB-CB 4.36Å; A24-D29 PolarHBondContact O-N 3.38Å; A24-K32 HydrophobicContact CB-CB 4.35Å; A24-K32 HydrophobicContact CB-CD 4.23Å; A24-K32 HydrophobicContact CB-CG 4.3Å
25L92.6Very high91.2Very high0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-64.7-43.7173.2-71.2172.2000112F21 L22 E23 L33 F48 L81 H87 C90 L94F21-L25 HydrophobicContact CD1-CD1 3.69Å; F21-L25 HydrophobicContact CD1-CG 4.21Å; F21-L25 HydrophobicContact CE1-CD1 3.54Å; F21-L25 HydrophobicContact CE1-CG 4.15Å; F21-L25 WeakPolarHBondContact O-CG 3.48Å; F21-L25 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 3.44Å; E23-L25 VanDerWaalsContact C-N 3.27Å; E23-L25 PolarHBondContact O-N 3.32Å; L25-L33 HydrophobicContact CD2-CD1 3.79Å; L25-L33 HydrophobicContact CD2-CD2 3.84Å; L25-L33 HydrophobicContact CG-CD1 3.96Å; L25-F48 HydrophobicContact CD1-CE2 4.39Å; L25-L81 HydrophobicContact CD1-CD1 4.12Å; L25-H87 PolarHBondContact O-CD2 2.87Å; L25-C90 HydrophobicContact CD2-CB 4.35Å; L25-L94 HydrophobicContact CD2-CD1 3.98Å
26K91.2Very high91.5Very high99 Ų9958.4 Ų58.443%0.4330%0.295SS..Hα-helixtrans-65.9-37.7179-73.4-178.9177.3-167.90112.3L22 E23 F85 H87L22-K26 WeakPolarHBondContact O-CG 3.45Å; L22-K26 PolarHBondContact O-N 3.49Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact O-N 3.07Å; K26-F85 HydrophobicContact CG-CE2 3.86Å; K26-F85 HydrophobicContact CG-CZ 4.11Å; K26-H87 PolarHBondContact O-NE2 3.24Å
27S93.1Very high91.6Very high74 Ų7454.6 Ų54.652%0.51728%0.275SS..THydrogen-bonded Turntrans-88.84.6-176.769.60000114.9E23 A24 D29E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3.25Å; E23-S27 PolarHBondContact O-OG 3.2Å; E23-S27 VanDerWaalsContact O-OG 3.11Å; A24-S27 PolarHBondContact O-OG 2.95Å; S27-D29 PolarHBondContact O-N 3.32Å
28N92.2Very high91.7Very high57 Ų5758.6 Ų58.631%0.30529%0.294SS..THydrogen-bonded Turntrans55.231.7-173.2-16223.4000114A24 F30 H87 C90A24-N28 PolarHBondContact O-N 2.91Å; N28-F30 PolarHBondContact O-N 2.99Å; N28-F30 VanDerWaalsContact O-N 3.08Å; N28-H87 HydrophobicContact CB-CB 4.34Å; N28-H87 WeakPolarHBondContact OD1-CB 3.32Å; N28-C90 PolarHBondContact OD1-SG 3.29Å; N28-C90 VanDerWaalsContact OD1-SG 3.37Å
29D93.5Very high91.7Very high64 Ų6460.5 Ų60.534%0.34230%0.304SS..  trans-85.778.2178.6-172.6-11.8000110.4A24 S27 G31 K32 L33A24-D29 HydrophobicContact CB-CB 4.36Å; A24-D29 PolarHBondContact O-N 3.38Å; S27-D29 PolarHBondContact O-N 3.32Å; D29-G31 PolarHBondContact O-N 3.14Å; D29-G31 PolarHBondContact OD1-N 3.46Å; D29-K32 HydrophobicContact CB-CB 4.2Å; D29-K32 PolarHBondContact O-N 2.98Å; D29-K32 WeakPolarHBondContact OD1-CB 3.46Å; D29-K32 PolarHBondContact OD1-N 3.29Å; D29-K32 WeakPolarHBondContact OD2-CB 3.38Å; D29-L33 WeakPolarHBondContact O-CB 3.5Å; D29-L33 PolarHBondContact O-N 3.12Å
30F91.9Very high91.4Very high102 Ų10263.1 Ų63.145%0.44731%0.314SS..Hα-helixtrans-64.4-26.1-179.965.4-92000112.9N28 K34 E89 V93N28-F30 PolarHBondContact O-N 2.99Å; N28-F30 VanDerWaalsContact O-N 3.08Å; F30-K34 VanDerWaalsContact O-CB 3.24Å; F30-K34 WeakPolarHBondContact O-CB 3.48Å; F30-K34 PolarHBondContact O-N 3.47Å; F30-E89 HydrophobicContact CB-CB 4.1Å; F30-E89 HydrophobicContact CD1-CB 3.9Å; F30-E89 HydrophobicContact CD1-CG 4.44Å; F30-E89 HydrophobicContact CG-CB 4.06Å; F30-V93 HydrophobicContact CB-CG2 4.15Å
31G91.5Very high90.8Very high39 Ų3965.2 Ų65.240%0.40232%0.323SS..Hα-helixtrans-69-50.3177.400000111.7D29 L33 K34 A35D29-G31 PolarHBondContact O-N 3.14Å; D29-G31 PolarHBondContact OD1-N 3.46Å; G31-L33 VanDerWaalsContact C-N 3.33Å; G31-K34 PolarHBondContact O-N 3.43Å; G31-A35 WeakPolarHBondContact O-CB 3.43Å; G31-A35 PolarHBondContact O-N 3.19Å
32K91.9Very high90.6Very high71 Ų7166.6 Ų66.631%0.30933%0.329SS..Hα-helixtrans-63-40.7174-173177.4177.6-172.20111.1E23 A24 D29 A35 I36E23-K32 IonicContact OE2-NZ 2.69Å; E23-K32 PolarHBondContact OE2-NZ 3.47Å; A24-K32 HydrophobicContact CB-CB 4.35Å; A24-K32 HydrophobicContact CB-CD 4.23Å; A24-K32 HydrophobicContact CB-CG 4.3Å; D29-K32 HydrophobicContact CB-CB 4.2Å; D29-K32 PolarHBondContact O-N 2.98Å; D29-K32 WeakPolarHBondContact OD1-CB 3.46Å; D29-K32 PolarHBondContact OD1-N 3.29Å; D29-K32 WeakPolarHBondContact OD2-CB 3.38Å; K32-A35 PolarHBondContact O-N 2.93Å; K32-I36 HydrophobicContact CG-CD1 4.09Å; K32-I36 VanDerWaalsContact O-CG1 3.26Å; K32-I36 WeakPolarHBondContact O-CG1 3.34Å; K32-I36 PolarHBondContact O-N 3.5Å
33L92.2Very high90.4Very high0 Ų070.1 Ų70.10%035%0.349CS..Hα-helixtrans-58.2-50.3175.7-169.172.2000111.7F21 L25 D29 G31 A35 I36 L37 C90 V93 L94F21-L33 HydrophobicContact CD1-CD1 4.25Å; F21-L33 HydrophobicContact CD2-CD1 3.64Å; F21-L33 HydrophobicContact CE1-CD1 4.03Å; F21-L33 HydrophobicContact CE2-CD1 3.33Å; F21-L33 HydrophobicContact CE2-CG 4.29Å; F21-L33 HydrophobicContact CG-CD1 4.12Å; F21-L33 HydrophobicContact CZ-CD1 3.57Å; L25-L33 HydrophobicContact CD2-CD1 3.79Å; L25-L33 HydrophobicContact CD2-CD2 3.84Å; L25-L33 HydrophobicContact CG-CD1 3.96Å; D29-L33 WeakPolarHBondContact O-CB 3.5Å; D29-L33 PolarHBondContact O-N 3.12Å; G31-L33 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.41Å; L33-I36 PolarHBondContact O-N 3.43Å; L33-L37 HydrophobicContact CG-CD1 4.29Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 2.97Å; L33-L37 VanDerWaalsContact O-N 3.08Å; L33-C90 HydrophobicContact CD2-CB 3.94Å; L33-V93 HydrophobicContact CD2-CB 4.36Å; L33-V93 HydrophobicContact CD2-CG1 4.1Å; L33-V93 HydrophobicContact CG-CG1 4.36Å; L33-L94 HydrophobicContact CD2-CD2 4.14Å; L33-L94 HydrophobicContact CD2-CG 4.05Å
34K92.1Very high90.3Very high108 Ų10865.7 Ų65.747%0.4733%0.329SS..Hα-helixtrans-61.5-42.1178.1-174.4174-176.8173.40112F30 G31 I36 L37 I38 V93F30-K34 VanDerWaalsContact O-CB 3.24Å; F30-K34 WeakPolarHBondContact O-CB 3.48Å; F30-K34 PolarHBondContact O-N 3.47Å; G31-K34 PolarHBondContact O-N 3.43Å; K34-I36 PolarHBondContact O-N 3.04Å; K34-L37 PolarHBondContact O-N 3.21Å; K34-I38 HydrophobicContact CG-CD1 3.81Å; K34-I38 HydrophobicContact CG-CG1 4.41Å; K34-I38 VanDerWaalsContact O-CG1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.41Å; K34-I38 PolarHBondContact O-N 2.64Å; K34-V93 HydrophobicContact CB-CG1 3.97Å; K34-V93 HydrophobicContact CG-CG1 4.5Å
35A91.9Very high90.1Very high40 Ų4067.5 Ų67.533%0.33134%0.339SS..Hα-helixtrans-60.8-43.617700000112.1G31 K32 L33 Q39G31-A35 WeakPolarHBondContact O-CB 3.43Å; G31-A35 PolarHBondContact O-N 3.19Å; K32-A35 PolarHBondContact O-N 2.93Å; L33-A35 PolarHBondContact O-N 3.41Å; A35-Q39 WeakPolarHBondContact O-CB 3.26Å; A35-Q39 VanDerWaalsContact O-CG 3.25Å; A35-Q39 WeakPolarHBondContact O-CG 3.38Å; A35-Q39 PolarHBondContact O-N 3.19Å; A35-Q39 VanDerWaalsContact O-N 3.16Å
36I90.6Very high90.1Very high13 Ų1369 Ų697%0.06735%0.347CS..Hα-helixtrans-64.1-41.5178.4-66165.2000111.1V17 N20 F21 K32 L33 K34 R40 Q41 I42V17-I36 HydrophobicContact CG1-CG2 4.15Å; N20-I36 HydrophobicContact CB-CD1 4.45Å; F21-I36 HydrophobicContact CD2-CB 4.4Å; F21-I36 HydrophobicContact CD2-CG2 3.89Å; K32-I36 HydrophobicContact CG-CD1 4.09Å; K32-I36 VanDerWaalsContact O-CG1 3.26Å; K32-I36 WeakPolarHBondContact O-CG1 3.34Å; K32-I36 PolarHBondContact O-N 3.5Å; L33-I36 PolarHBondContact O-N 3.43Å; K34-I36 PolarHBondContact O-N 3.04Å; I36-R40 PolarHBondContact O-N 3.34Å; I36-Q41 HydrophobicContact CG2-CB 4.34Å; I36-Q41 PolarHBondContact O-N 3.47Å; I36-I42 HydrophobicContact CG2-CG2 3.68Å
37L90.3Very high90.1Very high13 Ų1367.3 Ų67.37%0.06835%0.345CS..Hα-helixtrans-68.8-42.4179.7-69.8169.6000112.8F21 L33 K34 Q39 R40 V44 V93 L94 H97F21-L37 HydrophobicContact CE2-CD1 4.49Å; F21-L37 HydrophobicContact CE2-CD2 3.77Å; F21-L37 HydrophobicContact CE2-CG 4Å; F21-L37 HydrophobicContact CZ-CD2 4.26Å; L33-L37 HydrophobicContact CG-CD1 4.29Å; L33-L37 WeakPolarHBondContact O-CG 3.28Å; L33-L37 PolarHBondContact O-N 2.97Å; L33-L37 VanDerWaalsContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 3.21Å; L37-Q39 VanDerWaalsContact C-N 3.3Å; L37-Q39 PolarHBondContact O-N 3.12Å; L37-R40 WeakPolarHBondContact O-CA 3.31Å; L37-R40 PolarHBondContact O-N 3.18Å; L37-V44 HydrophobicContact CD2-CB 3.98Å; L37-V44 HydrophobicContact CD2-CG2 4.05Å; L37-V93 HydrophobicContact CD1-CG1 3.98Å; L37-L94 HydrophobicContact CD1-CD2 4.19Å; L37-H97 HydrophobicContact CD1-CB 4.05Å
38I90.3Very high89.9Confident108 Ų10863.9 Ų63.955%0.55432%0.321SS*.Hα-helixtrans-62-40.4176.8-70.3169.5000111K34 R40K34-I38 HydrophobicContact CG-CD1 3.81Å; K34-I38 HydrophobicContact CG-CG1 4.41Å; K34-I38 VanDerWaalsContact O-CG1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.41Å; K34-I38 PolarHBondContact O-N 2.64Å; I38-R40 PolarHBondContact O-N 3.39Å; I38-R40 VanDerWaalsContact O-N 3.16Å
39Q89.9Confident89.8Confident122 Ų12267 Ų6757%0.5733%0.334SS*.THydrogen-bonded Turntrans-72-2177.6-67.3174.62100112.9A35 L37 Q41A35-Q39 WeakPolarHBondContact O-CB 3.26Å; A35-Q39 VanDerWaalsContact O-CG 3.25Å; A35-Q39 WeakPolarHBondContact O-CG 3.38Å; A35-Q39 PolarHBondContact O-N 3.19Å; A35-Q39 VanDerWaalsContact O-N 3.16Å; L37-Q39 VanDerWaalsContact C-N 3.3Å; L37-Q39 PolarHBondContact O-N 3.12Å; Q39-Q41 HydrophobicContact CB-CG 3.77Å; Q39-Q41 PolarHBondContact O-N 3.26Å; Q39-Q41 VanDerWaalsContact O-N 3.12Å
40R81.9Confident89.5Confident227 Ų22764.3 Ų64.386%0.85732%0.32SS*.THydrogen-bonded Turntrans49.834.6-179.4-60.3-172.6179.3-153.1-0.6113.3I36 L37 I38 I42I36-R40 PolarHBondContact O-N 3.34Å; L37-R40 WeakPolarHBondContact O-CA 3.31Å; L37-R40 PolarHBondContact O-N 3.18Å; I38-R40 PolarHBondContact O-N 3.39Å; I38-R40 VanDerWaalsContact O-N 3.16Å; R40-I42 VanDerWaalsContact C-N 3.29Å
41Q80.3Confident89.2Confident97 Ų9766.6 Ų66.645%0.45333%0.332SS..  trans-75.9-21.9-178.7-60.6-173.2-600112.6V17 I36 Q39V17-Q41 HydrophobicContact CG1-CB 3.76Å; V17-Q41 HydrophobicContact CG2-CB 4.41Å; I36-Q41 HydrophobicContact CG2-CB 4.34Å; I36-Q41 PolarHBondContact O-N 3.47Å; Q39-Q41 HydrophobicContact CB-CG 3.77Å; Q39-Q41 PolarHBondContact O-N 3.26Å; Q39-Q41 VanDerWaalsContact O-N 3.12Å
42I87.4Confident88.8Confident28 Ų2865.1 Ų65.114%0.14432%0.315CS..SBendtrans-146.4147.8-177.8-161.1167.9000109.6V17 K18 F21 I36 R40 T46 F48V17-I42 HydrophobicContact CG1-CB 4.03Å; V17-I42 HydrophobicContact CG1-CD1 4.5Å; K18-I42 HydrophobicContact CB-CD1 4.26Å; K18-I42 HydrophobicContact CG-CD1 4.33Å; F21-I42 HydrophobicContact CB-CD1 4.17Å; F21-I42 HydrophobicContact CD2-CG2 3.55Å; F21-I42 HydrophobicContact CE2-CG2 3.76Å; F21-I42 HydrophobicContact CG-CD1 4.29Å; F21-I42 HydrophobicContact CG-CG2 4.19Å; I36-I42 HydrophobicContact CG2-CG2 3.68Å; R40-I42 VanDerWaalsContact C-N 3.29Å; I42-T46 HydrophobicContact CD1-CG2 4.12Å; I42-T46 HydrophobicContact CG1-CG2 4.37Å; I42-T46 WeakPolarHBondContact CG1-OG1 3.23Å; I42-F48 HydrophobicContact CD1-CZ 4.26Å
43D88.6Confident88.1Confident105 Ų10568.8 Ų68.856%0.56133%0.333SS*.  trans-73.5138.7172-170.99.2000110.1D45 T46D43-D45 PolarHBondContact O-N 3.2Å; D43-T46 VanDerWaalsContact O-CB 3.3Å; D43-T46 WeakPolarHBondContact O-CB 3.23Å; D43-T46 PolarHBondContact O-N 3.4Å; D43-T46 VanDerWaalsContact O-N 3.12Å; D43-T46 PolarHBondContact O-OG1 3.38Å
44V89.4Confident87.5Confident13 Ų1375.3 Ų75.38%0.07937%0.368CS..THydrogen-bonded Turntrans-62.6-32.3-177.168.70000111.8L37 T46 L94 H97 A99L37-V44 HydrophobicContact CD2-CB 3.98Å; L37-V44 HydrophobicContact CD2-CG2 4.05Å; V44-T46 VanDerWaalsContact C-N 3.26Å; V44-T46 PolarHBondContact O-N 3.06Å; V44-L94 HydrophobicContact CG2-CB 4.42Å; V44-L94 HydrophobicContact CG2-CD2 3.71Å; V44-H97 HydrophobicContact CG2-CB 4.49Å; V44-A99 HydrophobicContact CG1-CB 4.29Å; V44-A99 HydrophobicContact CG2-CB 3.68Å
45D90.4Very high87Confident38 Ų3874 Ų7420%0.20336%0.364CS..THydrogen-bonded Turntrans-89.414.7-179.6-67.6-44.9000113.1D43 V47 T100D43-D45 PolarHBondContact O-N 3.2Å; D45-V47 PolarHBondContact O-N 3.39Å; D45-T100 PolarHBondContact OD1-N 2.85Å; D45-T100 PolarHBondContact OD1-OG1 3.17Å; D45-T100 WeakPolarHBondContact OD2-CG2 3.35Å; D45-T100 PolarHBondContact OD2-OG1 2.98Å
46T91.4Very high86.6Confident30 Ų3072.7 Ų72.718%0.18435%0.352CS..PPolyproline II helixtrans-55.1129.8177.6-64.70000110.8K18 I42 D43 V44 F48K18-T46 HydrophobicContact CD-CG2 4.45Å; I42-T46 HydrophobicContact CD1-CG2 4.12Å; I42-T46 HydrophobicContact CG1-CG2 4.37Å; I42-T46 WeakPolarHBondContact CG1-OG1 3.23Å; D43-T46 VanDerWaalsContact O-CB 3.3Å; D43-T46 WeakPolarHBondContact O-CB 3.23Å; D43-T46 PolarHBondContact O-N 3.4Å; D43-T46 VanDerWaalsContact O-N 3.12Å; D43-T46 PolarHBondContact O-OG1 3.38Å; V44-T46 VanDerWaalsContact C-N 3.26Å; V44-T46 PolarHBondContact O-N 3.06Å; T46-F48 HydrophobicContact CG2-CE1 4.21Å; T46-F48 HydrophobicContact CG2-CE2 4.26Å; T46-F48 HydrophobicContact CG2-CZ 3.88Å; T46-F48 VanDerWaalsContact O-CD2 3.25Å; T46-F48 WeakPolarHBondContact O-CD2 3.38Å; T46-F48 WeakPolarHBondContact O-CE2 3.15Å
47V91.3Very high86.3Confident64 Ų6472.1 Ų72.139%0.38835%0.349SS..PPolyproline II helixtrans-87.1125176.8-177.60000109.9K18 D45 W75 T77 P105K18-V47 WeakPolarHBondContact CE-O 3.39Å; K18-V47 PolarHBondContact NZ-O 3.39Å; D45-V47 PolarHBondContact O-N 3.39Å; V47-W75 HydrophobicContact CG1-CB 3.63Å; V47-W75 HydrophobicContact CG1-CG 4.19Å; V47-T77 HydrophobicContact CG2-CG2 4.13Å; V47-P105 HydrophobicContact CG1-CB 4.04Å; V47-P105 HydrophobicContact CG2-CB 4.22Å
48F89.5Confident85.9Confident2 Ų271.8 Ų71.81%0.00935%0.348CS..EExtended strand (participates in β ladder)trans-102.1144.1176.6-58.5-84.6000109.9K18 F21 L22 L25 I42 T46 V50 W75 A76 L81K18-F48 HydrophobicContact CD-CD1 4.43Å; K18-F48 HydrophobicContact CD-CE1 4.36Å; K18-F48 HydrophobicContact CG-CD1 3.9Å; K18-F48 HydrophobicContact CG-CE1 3.49Å; K18-F48 VanDerWaalsContact CG-CE1 3.49Å; F21-F48 HydrophobicContact CD1-CE1 4.05Å; F21-F48 AromaticContact CD1-CE2 3.79Å; F21-F48 HydrophobicContact CD1-CE2 3.79Å; F21-F48 AromaticContact CD1-CZ 3.22Å; F21-F48 HydrophobicContact CD1-CZ 3.22Å; F21-F48 AromaticContact CE1-CE2 3.78Å; F21-F48 HydrophobicContact CE1-CE2 3.78Å; F21-F48 AromaticContact CE1-CZ 3.64Å; F21-F48 HydrophobicContact CE1-CZ 3.64Å; F21-F48 HydrophobicContact CG-CZ 4.17Å; L22-F48 HydrophobicContact CB-CD1 4.01Å; L22-F48 HydrophobicContact CB-CE1 4.15Å; L22-F48 HydrophobicContact CD1-CB 4.28Å; L22-F48 HydrophobicContact CD1-CD1 4.2Å; L22-F48 HydrophobicContact CD1-CG 4.16Å; L22-F48 HydrophobicContact CD2-CD1 4.46Å; L22-F48 HydrophobicContact CG-CD1 4.46Å; L25-F48 HydrophobicContact CD1-CE2 4.39Å; I42-F48 HydrophobicContact CD1-CZ 4.26Å; T46-F48 HydrophobicContact CG2-CE1 4.21Å; T46-F48 HydrophobicContact CG2-CE2 4.26Å; T46-F48 HydrophobicContact CG2-CZ 3.88Å; T46-F48 VanDerWaalsContact O-CD2 3.25Å; T46-F48 WeakPolarHBondContact O-CD2 3.38Å; T46-F48 WeakPolarHBondContact O-CE2 3.15Å; F48-V50 HydrophobicContact CB-CG2 3.67Å; F48-W75 CarbonylContact O-C 3.51Å; F48-W75 VanDerWaalsContact O-CA 3.24Å; F48-W75 WeakPolarHBondContact O-CA 3.37Å; F48-A76 PolarHBondContact N-O 3.05Å; F48-A76 PolarHBondContact O-N 3.42Å; F48-L81 HydrophobicContact CB-CD1 4.46Å; F48-L81 HydrophobicContact CD2-CD1 4.28Å
49E89.1Confident85.3Confident123 Ų12367 Ų6758%0.57532%0.324SS*.EExtended strand (participates in β ladder)trans-91.2120.9163-174.6176.3-176.700107.3S73 S74E49-S73 WeakPolarHBondContact OE1-CB 3Å; E49-S73 PolarHBondContact OE1-OG 2.8Å; E49-S74 WeakPolarHBondContact CA-O 3.36Å
50V87.8Confident84.5Confident7 Ų765.4 Ų65.44%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-134.6143.5-170.4-173.10000109.7L22 F48 D52 S73 S74 L81L22-V50 HydrophobicContact CD1-CG2 3.98Å; F48-V50 HydrophobicContact CB-CG2 3.67Å; V50-D52 PolarHBondContact O-N 2.81Å; V50-S73 CarbonylContact O-C 3.36Å; V50-S73 VanDerWaalsContact O-CA 3.28Å; V50-S73 WeakPolarHBondContact O-CA 3.26Å; V50-S74 PolarHBondContact N-O 3.39Å; V50-S74 PolarHBondContact O-N 3.34Å; V50-L81 HydrophobicContact CB-CD2 4.24Å; V50-L81 HydrophobicContact CG1-CD2 4.01Å; V50-L81 HydrophobicContact CG2-CD1 3.87Å; V50-L81 HydrophobicContact CG2-CD2 3.94Å
51E84.9Confident83.7Confident150 Ų15061 Ų6170%0.70130%0.301SS*.EExtended strand (participates in β ladder)trans-66.1127.4174.5-66.3173168.500110.9K72E51-K72 CarbonylContact C-O 3.56Å; E51-K72 WeakPolarHBondContact CA-O 3.3Å
52D83Confident82.5Confident8 Ų861.7 Ų61.74%0.04330%0.304CS..  trans-137.969.6-174.4-179.123000109.8V50 N54 M55 V56 L57 A58 K72 S74V50-D52 PolarHBondContact O-N 2.81Å; D52-N54 PolarHBondContact O-N 2.75Å; D52-M55 PolarHBondContact O-N 3.21Å; D52-M55 VanDerWaalsContact O-N 3.14Å; D52-M55 PolarHBondContact OD1-N 3.5Å; D52-M55 WeakPolarHBondContact OD2-CA 3.5Å; D52-V56 PolarHBondContact OD1-N 3.45Å; D52-V56 PolarHBondContact OD2-N 2.82Å; D52-L57 HydrophobicContact CB-CD1 4.27Å; D52-L57 VanDerWaalsContact OD2-CB 3.3Å; D52-L57 WeakPolarHBondContact OD2-CB 3.28Å; D52-L57 PolarHBondContact OD2-N 3.26Å; D52-A58 PolarHBondContact OD2-N 3.03Å; D52-K72 PolarHBondContact N-O 3.3Å; D52-S74 WeakPolarHBondContact CB-OG 3.43Å; D52-S74 PolarHBondContact OD2-OG 3.16Å
53E77.9Confident80.9Confident148 Ų14863.3 Ų63.369%0.69233%0.327SS*.THydrogen-bonded Turntrans-62.3-28.5-174.9-59.9-167.5149.700113.3
54N78.9Confident79.4Confident138 Ų13867.3 Ų67.374%0.73834%0.336SS*.THydrogen-bonded Turntrans-91.5-1.5-178.6-64.8-27.4000113.2D52 V56D52-N54 PolarHBondContact O-N 2.75Å; N54-V56 HydrophobicContact CB-CG2 3.91Å; N54-V56 PolarHBondContact O-N 3.27Å
55M81.4Confident77.5Confident79 Ų7977.3 Ų77.339%0.38937%0.373SS..  trans57.431.4179.5-55.8179.266.600114.1D52 Y60D52-M55 PolarHBondContact O-N 3.21Å; D52-M55 VanDerWaalsContact O-N 3.14Å; D52-M55 PolarHBondContact OD1-N 3.5Å; D52-M55 WeakPolarHBondContact OD2-CA 3.5Å; M55-Y60 HydrophobicContact CE-CD2 4.16Å; M55-Y60 HydrophobicContact CE-CE2 3.54Å
56V85.3Confident75.7Confident13 Ų1380.6 Ų80.68%0.07939%0.39CS..SBendtrans-74.7-37.1-178.2175.70000110.5D52 N54 L84 K108 V113 E116 M117D52-V56 PolarHBondContact OD1-N 3.45Å; D52-V56 PolarHBondContact OD2-N 2.82Å; N54-V56 HydrophobicContact CB-CG2 3.91Å; N54-V56 PolarHBondContact O-N 3.27Å; V56-L84 HydrophobicContact CB-CD1 3.85Å; V56-L84 HydrophobicContact CG1-CD1 3.58Å; V56-L84 HydrophobicContact CG2-CD1 4.45Å; V56-K108 WeakPolarHBondContact O-CD 3.46Å; V56-K108 PolarHBondContact O-NZ 3.09Å; V56-V113 HydrophobicContact CG1-CG1 4.07Å; V56-E116 HydrophobicContact CG1-CG 4.25Å; V56-M117 HydrophobicContact CG1-CG 4.09Å; V56-M117 HydrophobicContact CG1-SD 3.82Å; V56-M117 HydrophobicContact CG2-SD 4.16Å
57L84.4Confident73.3Confident2 Ų283.8 Ų83.81%0.0141%0.411CS..SBendtrans-79.7-30.5-176.2-62.2170.2000112D52 A76 H80 L81 L84 V113D52-L57 HydrophobicContact CB-CD1 4.27Å; D52-L57 VanDerWaalsContact OD2-CB 3.3Å; D52-L57 WeakPolarHBondContact OD2-CB 3.28Å; D52-L57 PolarHBondContact OD2-N 3.26Å; L57-A76 HydrophobicContact CD1-CB 3.86Å; L57-A76 HydrophobicContact CD2-CB 4.31Å; L57-H80 HydrophobicContact CD2-CB 4.01Å; L57-L81 HydrophobicContact CD1-CD2 4.12Å; L57-L84 HydrophobicContact CD1-CD2 3.96Å; L57-L84 HydrophobicContact CD2-CB 4.33Å; L57-L84 HydrophobicContact CD2-CD1 4.43Å; L57-L84 HydrophobicContact CD2-CD2 4.14Å; L57-L84 HydrophobicContact CG-CD2 4.08Å; L57-V113 HydrophobicContact CD2-CG1 4.34Å; L57-V113 HydrophobicContact CD2-CG2 4.29Å
58A81.2Confident71.2Confident5 Ų587 Ų874%0.04144%0.436CS..BIsolated β-bridgetrans-81.4141.3-177.600000112.8D52 Y60 K108D52-A58 PolarHBondContact OD2-N 3.03Å; A58-Y60 HydrophobicContact CB-CD2 4.24Å; A58-Y60 HydrophobicContact CB-CE1 4.48Å; A58-Y60 HydrophobicContact CB-CE2 3.35Å; A58-Y60 WeakPolarHBondContact CB-OH 3.47Å; A58-K108 WeakPolarHBondContact O-CE 3.21Å; A58-K108 PolarHBondContact O-NZ 2.9Å
59S77.9Confident69.5Low7 Ų794.2 Ų94.25%0.04946%0.464CS..  trans-131132.1163.4171.20000107.6N106 S137 L138 S139S59-N106 PolarHBondContact N-O 3.05Å; S59-S137 PolarHBondContact OG-OG 3.19Å; S59-L138 WeakPolarHBondContact O-CD2 3.11Å; S59-L138 PolarHBondContact OG-N 2.99Å; S59-S139 WeakPolarHBondContact OG-CB 3.45Å; S59-S139 PolarHBondContact OG-N 3.33Å; S59-S139 PolarHBondContact OG-OG 3.09Å
60Y73.6Confident67.9Low90 Ų9096 Ų9635%0.35347%0.47SS..  trans-119.2144.5-176.5-58.8-80.9000109.8M55 A58 L71 S139M55-Y60 HydrophobicContact CE-CD2 4.16Å; M55-Y60 HydrophobicContact CE-CE2 3.54Å; A58-Y60 HydrophobicContact CB-CD2 4.24Å; A58-Y60 HydrophobicContact CB-CE1 4.48Å; A58-Y60 HydrophobicContact CB-CE2 3.35Å; A58-Y60 WeakPolarHBondContact CB-OH 3.47Å; Y60-L71 HydrophobicContact CE1-CD1 4.09Å; Y60-S139 WeakPolarHBondContact O-CA 3.42Å; Y60-S139 WeakPolarHBondContact O-CB 3.42Å
61K65.1Low66.6Low133 Ų13398 Ų9858%0.57848%0.481SS*.  trans-72.8129.6169.5-170.6174.9-178.7-179.30108.8G63 Y64 L138K61-G63 PolarHBondContact O-N 3.48Å; K61-Y64 HydrophobicContact CB-CD2 4.11Å; K61-Y64 HydrophobicContact CB-CE2 4.39Å; K61-Y64 HydrophobicContact CD-CE2 4.35Å; K61-Y64 PolarHBondContact O-N 2.88Å; K61-L138 HydrophobicContact CB-CG 4.47Å
62Q55Low66Low112 Ų11298.1 Ų98.152%0.52348%0.479SS..THydrogen-bonded Turntrans-54.5129.3176.4-152.9143.8-17.300110
63G53.6Low65.9Low62 Ų6299.3 Ų99.364%0.63949%0.488SS*.THydrogen-bonded Turntrans106-14-178.800000116.3K61 W65K61-G63 PolarHBondContact O-N 3.48Å; G63-W65 PolarHBondContact O-N 2.88Å
64Y55.5Low66.3Low190 Ų19092.4 Ų92.475%0.74546%0.456SS*.  trans-80.685168.7-78.8-98.6000109.6K61 L66K61-Y64 HydrophobicContact CB-CD2 4.11Å; K61-Y64 HydrophobicContact CB-CE2 4.39Å; K61-Y64 HydrophobicContact CD-CE2 4.35Å; K61-Y64 PolarHBondContact O-N 2.88Å; Y64-L66 PolarHBondContact O-N 3.42Å
65W50.3Low66.7Low222 Ų22292.7 Ų92.784%0.84145%0.447SS*.  trans-72.3117.6172.6-80.981.3000110.2G63 P67G63-W65 PolarHBondContact O-N 2.88Å; W65-P67 WeakPolarHBondContact O-CD 3.42Å
66L51.9Low67.2Low107 Ų10789 Ų8956%0.5643%0.428SS*.  trans-101.794.7150.4-79.8159.1000106.3Y64 S68 L71Y64-L66 PolarHBondContact O-N 3.42Å; L66-S68 PolarHBondContact O-N 3.26Å; L66-S68 VanDerWaalsContact O-N 3.1Å; L66-L71 HydrophobicContact CD1-CD1 3.6Å
67P42.2Very low67.6Low97 Ų9788.5 Ų88.563%0.6343%0.425SS*.THydrogen-bonded Turntrans-56.6120.9178.5-21.132.3000109.5W65 Y69W65-P67 WeakPolarHBondContact O-CD 3.42Å; P67-Y69 PolarHBondContact O-N 3.29Å
68S45.7Very low68Low132 Ų13288.4 Ų88.492%0.92343%0.425SS*.THydrogen-bonded Turntrans67.81.1170-41.80000117.3L66L66-S68 PolarHBondContact O-N 3.26Å; L66-S68 VanDerWaalsContact O-N 3.1Å
69Y54.9Low68.7Low153 Ų15388.3 Ų88.360%0.642%0.424SS*.  trans-98.193176.9-161-97.7000110.1P67 L71P67-Y69 PolarHBondContact O-N 3.29Å; Y69-L71 HydrophobicContact CD1-CG 3.97Å; Y69-L71 HydrophobicContact CE1-CD2 4.35Å; Y69-L71 HydrophobicContact CE1-CG 3.99Å; Y69-L71 PolarHBondContact O-N 3.21Å; Y69-L71 VanDerWaalsContact O-N 3.09Å
70K54.3Low69.4Low161 Ų16188.1 Ų88.170%0.742%0.422SS*.  trans-65.8108.1160-76-171177.8-171.70106.5K72K70-K72 VanDerWaalsContact C-N 3.27Å; K70-K72 PolarHBondContact O-N 2.9Å
71L62.1Low70.4Confident50 Ų5083.8 Ų83.826%0.26241%0.405SS..  trans-57.399.3164.3-86.9131000106.7Y60 L66 Y69 S73Y60-L71 HydrophobicContact CE1-CD1 4.09Å; L66-L71 HydrophobicContact CD1-CD1 3.6Å; Y69-L71 HydrophobicContact CD1-CG 3.97Å; Y69-L71 HydrophobicContact CE1-CD2 4.35Å; Y69-L71 HydrophobicContact CE1-CG 3.99Å; Y69-L71 PolarHBondContact O-N 3.21Å; Y69-L71 VanDerWaalsContact O-N 3.09Å; L71-S73 PolarHBondContact O-N 3.43Å
72K71.8Confident71.8Confident152 Ų15277.5 Ų77.566%0.66138%0.377SS*.SBendtrans-67.7-19.2172.9-69.3-172.6176.4-171.20110.6E51 D52 K70E51-K72 CarbonylContact C-O 3.56Å; E51-K72 WeakPolarHBondContact CA-O 3.3Å; D52-K72 PolarHBondContact N-O 3.3Å; K70-K72 VanDerWaalsContact C-N 3.27Å; K70-K72 PolarHBondContact O-N 2.9Å
73S80.3Confident73.7Confident32 Ų3272.1 Ų72.122%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-111.5139.6176.660.90000112.8E49 V50 L71E49-S73 WeakPolarHBondContact OE1-CB 3Å; E49-S73 PolarHBondContact OE1-OG 2.8Å; V50-S73 CarbonylContact O-C 3.36Å; V50-S73 VanDerWaalsContact O-CA 3.28Å; V50-S73 WeakPolarHBondContact O-CA 3.26Å; L71-S73 PolarHBondContact O-N 3.43Å
74S86.3Confident75.6Confident3 Ų370.6 Ų70.62%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-123.4155174.2-810000109.8E49 V50 D52 N106E49-S74 WeakPolarHBondContact CA-O 3.36Å; V50-S74 PolarHBondContact N-O 3.39Å; V50-S74 PolarHBondContact O-N 3.34Å; D52-S74 WeakPolarHBondContact CB-OG 3.43Å; D52-S74 PolarHBondContact OD2-OG 3.16Å; S74-N106 VanDerWaalsContact CA-ND2 3.34Å; S74-N106 WeakPolarHBondContact CA-ND2 3.44Å; S74-N106 VanDerWaalsContact CB-ND2 3.27Å; S74-N106 WeakPolarHBondContact CB-ND2 3.24Å; S74-N106 PolarHBondContact OG-ND2 3.21Å
75W88.6Confident77.3Confident145 Ų14565.4 Ų65.455%0.54931%0.311SS..EExtended strand (participates in β ladder)trans-93.2128.9170.1-59.3-42.3000111.7V47 F48 P105 N106V47-W75 HydrophobicContact CG1-CB 3.63Å; V47-W75 HydrophobicContact CG1-CG 4.19Å; F48-W75 CarbonylContact O-C 3.51Å; F48-W75 VanDerWaalsContact O-CA 3.24Å; F48-W75 WeakPolarHBondContact O-CA 3.37Å; W75-P105 HydrophobicContact CB-CB 4.25Å; W75-N106 WeakPolarHBondContact CB-OD1 3.49Å; W75-N106 VanDerWaalsContact CE3-OD1 3.31Å; W75-N106 VanDerWaalsContact N-CG 3.33Å; W75-N106 PolarHBondContact N-ND2 3.47Å; W75-N106 PolarHBondContact N-OD1 3.03Å; W75-N106 VanDerWaalsContact O-CB 3.29Å; W75-N106 WeakPolarHBondContact O-CB 3.39Å; W75-N106 VanDerWaalsContact O-CG 3.26Å
76A91.3Very high79.4Confident0 Ų056.1 Ų56.10%028%0.284CS..EExtended strand (participates in β ladder)trans-143.5146.5-179.100000111.2F48 L57 H80 L81F48-A76 PolarHBondContact N-O 3.05Å; F48-A76 PolarHBondContact O-N 3.42Å; L57-A76 HydrophobicContact CD1-CB 3.86Å; L57-A76 HydrophobicContact CD2-CB 4.31Å; A76-H80 HydrophobicContact CB-CB 3.88Å; A76-L81 HydrophobicContact CB-CD2 3.81Å; A76-L81 HydrophobicContact CB-CG 4.02Å
77T93.6Very high81.5Confident4 Ų452.7 Ų52.73%0.02527%0.265CS..  trans-86.6170.1167.458.10000110.3V47 L79 H80 L81 C103 P105V47-T77 HydrophobicContact CG2-CG2 4.13Å; T77-L79 PolarHBondContact O-N 3.4Å; T77-H80 PolarHBondContact O-N 3.22Å; T77-H80 VanDerWaalsContact O-N 3.1Å; T77-H80 PolarHBondContact OG1-ND1 3.16Å; T77-L81 PolarHBondContact O-N 2.75Å; T77-C103 HydrophobicContact CG2-CB 4.41Å; T77-C103 PolarHBondContact OG1-SG 3.4Å; T77-P105 HydrophobicContact CG2-CG 4.24Å
78G93Very high84Confident0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-52.5-40.3175.800000113.1H80 L81 S82G78-H80 PolarHBondContact O-N 3.32Å; G78-L81 PolarHBondContact O-N 2.75Å; G78-S82 PolarHBondContact O-N 2.98Å; G78-S82 PolarHBondContact O-OG 3.45Å
79L94.8Very high86.4Confident2 Ų247.7 Ų47.71%0.0122%0.221CC..Hα-helixtrans-59.5-44.6178.3-71.9177.9000112.5T77 L81 S82 V83 L91 L94 L95 A99 T100 P110T77-L79 PolarHBondContact O-N 3.4Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 2.84Å; L79-S82 PolarHBondContact O-N 3.45Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 2.9Å; L79-V83 VanDerWaalsContact O-N 3.07Å; L79-L91 HydrophobicContact CD2-CD1 3.54Å; L79-L94 HydrophobicContact CD2-CB 3.72Å; L79-L94 HydrophobicContact CD2-CD1 4.15Å; L79-L94 HydrophobicContact CG-CB 4.45Å; L79-L95 HydrophobicContact CD1-CD2 4.17Å; L79-L95 HydrophobicContact CD2-CD2 3.69Å; L79-L95 HydrophobicContact CD2-CG 3.8Å; L79-A99 HydrophobicContact CD1-CB 3.61Å; L79-A99 HydrophobicContact CD2-CB 3.95Å; L79-A99 HydrophobicContact CG-CB 3.74Å; L79-T100 WeakPolarHBondContact CD1-O 3.24Å; L79-P110 HydrophobicContact CB-CB 4.37Å; L79-P110 HydrophobicContact CB-CG 3.85Å; L79-P110 HydrophobicContact CD1-CG 4.37Å
80H94.3Very high88.3Confident3 Ų340.4 Ų40.41%0.01419%0.193CC..Hα-helixtrans-63.2-41178.9-71.184000111.5L57 A76 T77 G78 V83 L84 C103 P105 K108 P110L57-H80 HydrophobicContact CD2-CB 4.01Å; A76-H80 HydrophobicContact CB-CB 3.88Å; T77-H80 PolarHBondContact O-N 3.22Å; T77-H80 VanDerWaalsContact O-N 3.1Å; T77-H80 PolarHBondContact OG1-ND1 3.16Å; G78-H80 PolarHBondContact O-N 3.32Å; H80-V83 PolarHBondContact O-N 3.26Å; H80-L84 VanDerWaalsContact O-CB 3.28Å; H80-L84 WeakPolarHBondContact O-CB 3.43Å; H80-L84 PolarHBondContact O-N 3.25Å; H80-C103 PolarHBondContact CE1-O 2.91Å; H80-C103 VanDerWaalsContact CE1-O 3.3Å; H80-C103 PolarHBondContact CE1-SG 2.84Å; H80-P105 VanDerWaalsContact CE1-CD 3.42Å; H80-P105 WeakPolarHBondContact CE1-CD 3.26Å; H80-K108 PolarHBondContact NE2-O 2.69Å; H80-P110 WeakPolarHBondContact NE2-CD 3.45Å
81L93.6Very high90.3Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-69.5-41.5179.8-61.2178.3000111.9L22 L25 F48 V50 L57 A76 T77 G78 L79 V83 L84 F85L22-L81 HydrophobicContact CD1-CD1 3.44Å; L22-L81 VanDerWaalsContact CD1-CD1 3.44Å; L25-L81 HydrophobicContact CD1-CD1 4.12Å; F48-L81 HydrophobicContact CB-CD1 4.46Å; F48-L81 HydrophobicContact CD2-CD1 4.28Å; V50-L81 HydrophobicContact CB-CD2 4.24Å; V50-L81 HydrophobicContact CG1-CD2 4.01Å; V50-L81 HydrophobicContact CG2-CD1 3.87Å; V50-L81 HydrophobicContact CG2-CD2 3.94Å; L57-L81 HydrophobicContact CD1-CD2 4.12Å; A76-L81 HydrophobicContact CB-CD2 3.81Å; A76-L81 HydrophobicContact CB-CG 4.02Å; T77-L81 PolarHBondContact O-N 2.75Å; G78-L81 PolarHBondContact O-N 2.75Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 2.84Å; L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 PolarHBondContact O-N 3.17Å; L81-L84 HydrophobicContact CD2-CD2 4.5Å; L81-L84 PolarHBondContact O-N 3.49Å; L81-F85 HydrophobicContact CB-CD2 4.42Å; L81-F85 HydrophobicContact CB-CE2 4.15Å; L81-F85 HydrophobicContact CD2-CE2 4.45Å; L81-F85 WeakPolarHBondContact O-CD2 3.27Å; L81-F85 WeakPolarHBondContact O-CG 3.19Å; L81-F85 PolarHBondContact O-N 2.9Å
82S94.4Very high91.9Very high0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-59.7-41.5174.4-620000111.6G78 L79 G86 H87 C90 L94G78-S82 PolarHBondContact O-N 2.98Å; G78-S82 PolarHBondContact O-OG 3.45Å; L79-S82 PolarHBondContact O-N 3.45Å; S82-G86 CarbonylContact O-C 3.56Å; S82-G86 WeakPolarHBondContact O-CA 3.09Å; S82-G86 PolarHBondContact O-N 3.42Å; S82-H87 PolarHBondContact O-N 3.38Å; S82-C90 WeakPolarHBondContact OG-CB 3.27Å; S82-L94 WeakPolarHBondContact OG-CD1 3.13Å
83V94.8Very high93.1Very high0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-68.7-45.3176174.80000111.9L79 H80 L81 F85 G86 L91 P110 V113 A114 C122 L126L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 2.9Å; L79-V83 VanDerWaalsContact O-N 3.07Å; H80-V83 PolarHBondContact O-N 3.26Å; L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 PolarHBondContact O-N 3.17Å; V83-F85 VanDerWaalsContact C-N 3.26Å; V83-F85 PolarHBondContact O-N 3.38Å; V83-G86 PolarHBondContact O-N 3.23Å; V83-L91 HydrophobicContact CG2-CD1 4.11Å; V83-L91 HydrophobicContact CG2-CD2 4.37Å; V83-P110 HydrophobicContact CG2-CB 4.23Å; V83-V113 HydrophobicContact CB-CG1 4.48Å; V83-V113 HydrophobicContact CG1-CB 4.17Å; V83-V113 HydrophobicContact CG1-CG1 3.97Å; V83-A114 HydrophobicContact CG1-CB 3.46Å; V83-A114 VanDerWaalsContact CG1-CB 3.46Å; V83-A114 VanDerWaalsContact CG1-N 3.31Å; V83-C122 HydrophobicContact CG1-CB 4.3Å; V83-C122 HydrophobicContact CG2-CB 4.24Å; V83-L126 HydrophobicContact CG2-CD1 4.09Å
84L93.4Very high93.8Very high30 Ų3024.7 Ų24.716%0.15712%0.121CC..Hα-helixtrans-55.9-42.4180-179.570.7000111.8V56 L57 H80 L81 V113 M117V56-L84 HydrophobicContact CB-CD1 3.85Å; V56-L84 HydrophobicContact CG1-CD1 3.58Å; V56-L84 HydrophobicContact CG2-CD1 4.45Å; L57-L84 HydrophobicContact CD1-CD2 3.96Å; L57-L84 HydrophobicContact CD2-CB 4.33Å; L57-L84 HydrophobicContact CD2-CD1 4.43Å; L57-L84 HydrophobicContact CD2-CD2 4.14Å; L57-L84 HydrophobicContact CG-CD2 4.08Å; H80-L84 VanDerWaalsContact O-CB 3.28Å; H80-L84 WeakPolarHBondContact O-CB 3.43Å; H80-L84 PolarHBondContact O-N 3.25Å; L81-L84 HydrophobicContact CD2-CD2 4.5Å; L81-L84 PolarHBondContact O-N 3.49Å; L84-V113 HydrophobicContact CB-CG1 4.31Å; L84-V113 HydrophobicContact CD1-CG1 4.4Å; L84-M117 HydrophobicContact CD1-CG 4.18Å; L84-M117 HydrophobicContact CD1-SD 4.04Å
85F92.3Very high94.2Very high81 Ų8125.1 Ų25.136%0.35512%0.123SC..Hα-helixtrans-88.7-8179.2-58-51.4000114K26 L81 V83 H87K26-F85 HydrophobicContact CG-CE2 3.86Å; K26-F85 HydrophobicContact CG-CZ 4.11Å; L81-F85 HydrophobicContact CB-CD2 4.42Å; L81-F85 HydrophobicContact CB-CE2 4.15Å; L81-F85 HydrophobicContact CD2-CE2 4.45Å; L81-F85 WeakPolarHBondContact O-CD2 3.27Å; L81-F85 WeakPolarHBondContact O-CG 3.19Å; L81-F85 PolarHBondContact O-N 2.9Å; V83-F85 VanDerWaalsContact C-N 3.26Å; V83-F85 PolarHBondContact O-N 3.38Å; F85-H87 WeakPolarHBondContact CB-CD2 3.25Å; F85-H87 VanDerWaalsContact CB-NE2 3.32Å; F85-H87 WeakPolarHBondContact CB-NE2 3.44Å; F85-H87 AromaticContact CG-NE2 3.97Å
86G93.3Very high94.5Very high27 Ų2722.8 Ų22.828%0.27812%0.122SC..THydrogen-bonded Turntrans72.124.2-176.500000115.4S82 V83 V88 N119S82-G86 CarbonylContact O-C 3.56Å; S82-G86 WeakPolarHBondContact O-CA 3.09Å; S82-G86 PolarHBondContact O-N 3.42Å; V83-G86 PolarHBondContact O-N 3.23Å; G86-V88 PolarHBondContact O-N 2.89Å; G86-N119 WeakPolarHBondContact CA-ND2 3.35Å
87H95.9Very high94.7Very high34 Ų3425.6 Ų25.616%0.15714%0.135CC..  trans-82.181.1-178.9-65.7-22.9000111.3L25 K26 N28 S82 F85 E89 C90 L91L25-H87 PolarHBondContact O-CD2 2.87Å; K26-H87 PolarHBondContact O-NE2 3.24Å; N28-H87 HydrophobicContact CB-CB 4.34Å; N28-H87 WeakPolarHBondContact OD1-CB 3.32Å; S82-H87 PolarHBondContact O-N 3.38Å; F85-H87 WeakPolarHBondContact CB-CD2 3.25Å; F85-H87 VanDerWaalsContact CB-NE2 3.32Å; F85-H87 WeakPolarHBondContact CB-NE2 3.44Å; F85-H87 AromaticContact CG-NE2 3.97Å; H87-E89 VanDerWaalsContact C-N 3.34Å; H87-E89 PolarHBondContact O-N 3.41Å; H87-C90 HydrophobicContact CB-CB 4.09Å; H87-C90 PolarHBondContact O-N 3.19Å; H87-L91 PolarHBondContact O-N 3.05Å
88V95.8Very high94.6Very high33 Ų3332.2 Ų32.220%0.217%0.17CC..Hα-helixtrans-58-40.7-176.7172.20000112.9G86 L91 L92 D121 I125G86-V88 PolarHBondContact O-N 2.89Å; V88-L91 WeakPolarHBondContact O-CB 3.2Å; V88-L91 PolarHBondContact O-N 3.17Å; V88-L92 HydrophobicContact CG1-CD1 4.27Å; V88-L92 WeakPolarHBondContact O-CG 3.4Å; V88-L92 PolarHBondContact O-N 2.89Å; V88-D121 HydrophobicContact CG2-CB 4.04Å; V88-I125 HydrophobicContact CG1-CD1 3.41Å; V88-I125 VanDerWaalsContact CG1-CD1 3.41Å
89E95.4Very high94.6Very high92 Ų9232.6 Ų32.643%0.4317%0.173SC..Hα-helixtrans-66.4-43.6-179.7-61.6-55139.200111.9F30 H87 L91 L92 V93F30-E89 HydrophobicContact CB-CB 4.1Å; F30-E89 HydrophobicContact CD1-CB 3.9Å; F30-E89 HydrophobicContact CD1-CG 4.44Å; F30-E89 HydrophobicContact CG-CB 4.06Å; H87-E89 VanDerWaalsContact C-N 3.34Å; H87-E89 PolarHBondContact O-N 3.41Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 2.9Å; E89-L92 PolarHBondContact O-N 3.25Å; E89-V93 WeakPolarHBondContact O-CG2 3.28Å; E89-V93 PolarHBondContact O-N 3.2Å
90C95.2Very high94.6Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-61.9-40172.7-70.30000111.6L25 N28 L33 S82 H87 L92 V93 L94L25-C90 HydrophobicContact CD2-CB 4.35Å; N28-C90 PolarHBondContact OD1-SG 3.29Å; N28-C90 VanDerWaalsContact OD1-SG 3.37Å; L33-C90 HydrophobicContact CD2-CB 3.94Å; S82-C90 WeakPolarHBondContact OG-CB 3.27Å; H87-C90 HydrophobicContact CB-CB 4.09Å; H87-C90 PolarHBondContact O-N 3.19Å; C90-L92 PolarHBondContact O-N 2.97Å; C90-V93 PolarHBondContact O-N 3.03Å; C90-L94 VanDerWaalsContact O-CG 3.24Å; C90-L94 WeakPolarHBondContact O-CG 3.42Å; C90-L94 PolarHBondContact O-N 3.19Å
91L96.3Very high94.6Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-57.9-48.3175.7178.364.7000111.1L79 V83 H87 V88 E89 L94 L95 C122 I125 L126L79-L91 HydrophobicContact CD2-CD1 3.54Å; V83-L91 HydrophobicContact CG2-CD1 4.11Å; V83-L91 HydrophobicContact CG2-CD2 4.37Å; H87-L91 PolarHBondContact O-N 3.05Å; V88-L91 WeakPolarHBondContact O-CB 3.2Å; V88-L91 PolarHBondContact O-N 3.17Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 2.9Å; L91-L94 PolarHBondContact O-N 3.47Å; L91-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 HydrophobicContact CD1-CG 4.32Å; L91-L95 HydrophobicContact CG-CD1 3.87Å; L91-L95 VanDerWaalsContact O-CG 3.22Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3.37Å; L91-C122 HydrophobicContact CD2-CB 4.08Å; L91-I125 HydrophobicContact CD2-CB 4.23Å; L91-I125 HydrophobicContact CD2-CD1 4.45Å; L91-I125 HydrophobicContact CD2-CG2 4.02Å; L91-I125 HydrophobicContact CG-CG2 4.36Å; L91-L126 HydrophobicContact CD1-CD2 4.23Å
92L96.4Very high94.6Very high47 Ų4739.7 Ų39.725%0.24621%0.213CC..Hα-helixtrans-61.3-47.3178.2-72170.7000112V88 E89 C90 L94 L95 D96 I125V88-L92 HydrophobicContact CG1-CD1 4.27Å; V88-L92 WeakPolarHBondContact O-CG 3.4Å; V88-L92 PolarHBondContact O-N 2.89Å; E89-L92 PolarHBondContact O-N 3.25Å; C90-L92 PolarHBondContact O-N 2.97Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.35Å; L92-L95 PolarHBondContact O-N 3.17Å; L92-D96 WeakPolarHBondContact O-CB 3.48Å; L92-D96 VanDerWaalsContact O-CG 3.24Å; L92-D96 PolarHBondContact O-N 2.96Å; L92-I125 HydrophobicContact CD2-CD1 4.18Å; L92-I125 HydrophobicContact CD2-CG1 4.45Å; L92-I125 HydrophobicContact CD2-CG2 3.86Å; L92-I125 HydrophobicContact CG-CD1 4.31Å
93V95.6Very high94.4Very high17 Ų1740.6 Ų40.610%0.10322%0.22CC..Hα-helixtrans-57.4-45.5177.8169.30000111.3F30 L33 K34 L37 E89 C90 L95 D96 H97F30-V93 HydrophobicContact CB-CG2 4.15Å; L33-V93 HydrophobicContact CD2-CB 4.36Å; L33-V93 HydrophobicContact CD2-CG1 4.1Å; L33-V93 HydrophobicContact CG-CG1 4.36Å; K34-V93 HydrophobicContact CB-CG1 3.97Å; K34-V93 HydrophobicContact CG-CG1 4.5Å; L37-V93 HydrophobicContact CD1-CG1 3.98Å; E89-V93 WeakPolarHBondContact O-CG2 3.28Å; E89-V93 PolarHBondContact O-N 3.2Å; C90-V93 PolarHBondContact O-N 3.03Å; V93-L95 PolarHBondContact O-N 3.4Å; V93-D96 PolarHBondContact O-N 3.15Å; V93-H97 PolarHBondContact O-CD2 3.13Å; V93-H97 VanDerWaalsContact O-CD2 3.22Å; V93-H97 PolarHBondContact O-N 3.45Å; V93-H97 VanDerWaalsContact O-N 3.13Å
94L95.4Very high94.2Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-62.9-43.7178.4-68.5169.1000111.7F21 L25 L33 L37 V44 L79 S82 C90 L91 L92 H97 N98 A99F21-L94 HydrophobicContact CZ-CD2 3.85Å; L25-L94 HydrophobicContact CD2-CD1 3.98Å; L33-L94 HydrophobicContact CD2-CD2 4.14Å; L33-L94 HydrophobicContact CD2-CG 4.05Å; L37-L94 HydrophobicContact CD1-CD2 4.19Å; V44-L94 HydrophobicContact CG2-CB 4.42Å; V44-L94 HydrophobicContact CG2-CD2 3.71Å; L79-L94 HydrophobicContact CD2-CB 3.72Å; L79-L94 HydrophobicContact CD2-CD1 4.15Å; L79-L94 HydrophobicContact CG-CB 4.45Å; S82-L94 WeakPolarHBondContact OG-CD1 3.13Å; C90-L94 VanDerWaalsContact O-CG 3.24Å; C90-L94 WeakPolarHBondContact O-CG 3.42Å; C90-L94 PolarHBondContact O-N 3.19Å; L91-L94 PolarHBondContact O-N 3.47Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.35Å; L94-H97 CarbonylContact O-C 3.52Å; L94-H97 PolarHBondContact O-N 3.08Å; L94-N98 PolarHBondContact O-N 3.33Å; L94-A99 HydrophobicContact CB-CB 4.08Å; L94-A99 WeakPolarHBondContact O-CB 3.24Å; L94-A99 PolarHBondContact O-N 3.38Å
95L95.6Very high93.9Very high12 Ų1245.2 Ų45.26%0.06324%0.239CC..Hα-helixtrans-67.6-35.1179.4-67.4171.5000112.6L79 L91 L92 V93 H97 N98 I101 I125 R129L79-L95 HydrophobicContact CD1-CD2 4.17Å; L79-L95 HydrophobicContact CD2-CD2 3.69Å; L79-L95 HydrophobicContact CD2-CG 3.8Å; L91-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 HydrophobicContact CD1-CG 4.32Å; L91-L95 HydrophobicContact CG-CD1 3.87Å; L91-L95 VanDerWaalsContact O-CG 3.22Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3.37Å; L92-L95 PolarHBondContact O-N 3.17Å; V93-L95 PolarHBondContact O-N 3.4Å; L95-H97 PolarHBondContact O-N 2.93Å; L95-N98 PolarHBondContact O-N 3.44Å; L95-I101 HydrophobicContact CD2-CD1 4.18Å; L95-I101 HydrophobicContact CD2-CG1 3.52Å; L95-I125 HydrophobicContact CD1-CG2 3.7Å; L95-R129 HydrophobicContact CD1-CG 4.14Å; L95-R129 PolarHBondContact O-NH1 2.91Å
96D95.2Very high93.5Very high97 Ų9742.6 Ų42.652%0.51923%0.229SC..Hα-helixtrans-68-25.9174.1-71-12.1000112.5L92 V93 N98 R129L92-D96 WeakPolarHBondContact O-CB 3.48Å; L92-D96 VanDerWaalsContact O-CG 3.24Å; L92-D96 PolarHBondContact O-N 2.96Å; V93-D96 PolarHBondContact O-N 3.15Å; D96-N98 VanDerWaalsContact C-N 3.3Å; D96-R129 IonicContact OD1-CZ 3.8Å; D96-R129 IonicContact OD1-NH1 3.6Å; D96-R129 PolarHBondContact OD1-NH1 3.21Å; D96-R129 IonicContact OD1-NH2 3.41Å; D96-R129 PolarHBondContact OD1-NH2 3.35Å
97H94Very high93.3Very high59 Ų5941.7 Ų41.727%0.27322%0.22SC..THydrogen-bonded Turntrans-93.927.9172.4-75.6-73.6000113.1L37 V44 V93 L94 L95 A99L37-H97 HydrophobicContact CD1-CB 4.05Å; V44-H97 HydrophobicContact CG2-CB 4.49Å; V93-H97 PolarHBondContact O-CD2 3.13Å; V93-H97 VanDerWaalsContact O-CD2 3.22Å; V93-H97 PolarHBondContact O-N 3.45Å; V93-H97 VanDerWaalsContact O-N 3.13Å; L94-H97 CarbonylContact O-C 3.52Å; L94-H97 PolarHBondContact O-N 3.08Å; L95-H97 PolarHBondContact O-N 2.93Å; H97-A99 VanDerWaalsContact C-N 3.34Å; H97-A99 PolarHBondContact O-N 3.05Å
98N92.1Very high93.2Very high143 Ų14340.4 Ų40.477%0.76521%0.214SC*.THydrogen-bonded Turntrans63.228.4172.3-62.490000115.4L94 L95 D96L94-N98 PolarHBondContact O-N 3.33Å; L95-N98 PolarHBondContact O-N 3.44Å; D96-N98 VanDerWaalsContact C-N 3.3Å
99A93.7Very high93.2Very high8 Ų838.9 Ų38.97%0.06620%0.204CC..  trans-55.7140.9172.800000112.5V44 L79 L94 H97 I101V44-A99 HydrophobicContact CG1-CB 4.29Å; V44-A99 HydrophobicContact CG2-CB 3.68Å; L79-A99 HydrophobicContact CD1-CB 3.61Å; L79-A99 HydrophobicContact CD2-CB 3.95Å; L79-A99 HydrophobicContact CG-CB 3.74Å; L94-A99 HydrophobicContact CB-CB 4.08Å; L94-A99 WeakPolarHBondContact O-CB 3.24Å; L94-A99 PolarHBondContact O-N 3.38Å; H97-A99 VanDerWaalsContact C-N 3.34Å; H97-A99 PolarHBondContact O-N 3.05Å; A99-I101 PolarHBondContact O-N 3.48Å
100T94.6Very high93.2Very high67 Ų6734.5 Ų34.541%0.41118%0.184SC..  trans-72.8101.9-17952.50000111.9D45 L79 N102 C103D45-T100 PolarHBondContact OD1-N 2.85Å; D45-T100 PolarHBondContact OD1-OG1 3.17Å; D45-T100 WeakPolarHBondContact OD2-CG2 3.35Å; D45-T100 PolarHBondContact OD2-OG1 2.98Å; L79-T100 WeakPolarHBondContact CD1-O 3.24Å; T100-N102 VanDerWaalsContact C-N 3.25Å; T100-N102 PolarHBondContact O-N 3.19Å; T100-N102 VanDerWaalsContact O-N 3.15Å; T100-C103 WeakPolarHBondContact O-CB 3.45Å; T100-C103 PolarHBondContact O-N 3.12Å; T100-C103 PolarHBondContact O-SG 3.39Å; T100-C103 WeakPolarHBondContact OG1-CB 3.14Å
101I94.1Very high93.3Very high32 Ų3234.6 Ų34.616%0.16418%0.184CC..THydrogen-bonded Turntrans-56.3-36.3-174.3-63.2169.7000113.5L95 A99 P110 L126 R129 A131L95-I101 HydrophobicContact CD2-CD1 4.18Å; L95-I101 HydrophobicContact CD2-CG1 3.52Å; A99-I101 PolarHBondContact O-N 3.48Å; I101-P110 VanDerWaalsContact O-CD 3.23Å; I101-P110 WeakPolarHBondContact O-CD 3.47Å; I101-P110 WeakPolarHBondContact O-CG 3.14Å; I101-L126 HydrophobicContact CG2-CD2 4.26Å; I101-R129 HydrophobicContact CD1-CB 3.64Å; I101-R129 WeakPolarHBondContact CD1-O 3.37Å; I101-A131 HydrophobicContact CG2-CB 3.58Å
102N93.3Very high93.3Very high54 Ų5434.6 Ų34.629%0.28919%0.185SC..THydrogen-bonded Turntrans-103.323.1-174-59.7-64.5000112.7T100 K132T100-N102 VanDerWaalsContact C-N 3.25Å; T100-N102 PolarHBondContact O-N 3.19Å; T100-N102 VanDerWaalsContact O-N 3.15Å; N102-K132 PolarHBondContact OD1-N 3.3Å
103C91.2Very high93.3Very high20 Ų2032.4 Ų32.414%0.13517%0.173CC..  trans-63.1148.8175.358.90000111.6T77 H80 T100 T109T77-C103 HydrophobicContact CG2-CB 4.41Å; T77-C103 PolarHBondContact OG1-SG 3.4Å; H80-C103 PolarHBondContact CE1-O 2.91Å; H80-C103 VanDerWaalsContact CE1-O 3.3Å; H80-C103 PolarHBondContact CE1-SG 2.84Å; T100-C103 WeakPolarHBondContact O-CB 3.45Å; T100-C103 PolarHBondContact O-N 3.12Å; T100-C103 PolarHBondContact O-SG 3.39Å; T100-C103 WeakPolarHBondContact OG1-CB 3.14Å; C103-T109 WeakPolarHBondContact O-CA 3.14Å
104R90.3Very high93.3Very high92 Ų9231.6 Ų31.635%0.34717%0.168SC..  trans-141.658.2-174.9-60.3176.963.9178.3-22.4112.4N106 G107 K108 T109 S137R104-N106 PolarHBondContact O-N 3.37Å; R104-G107 PolarHBondContact NE-O 3.16Å; R104-G107 PolarHBondContact NH2-O 3.02Å; R104-G107 PolarHBondContact O-N 3.24Å; R104-K108 VanDerWaalsContact CA-O 3.26Å; R104-K108 WeakPolarHBondContact CA-O 3.44Å; R104-T109 HydrophobicContact CG-CG2 3.45Å; R104-T109 VanDerWaalsContact CG-CG2 3.45Å; R104-S137 PolarHBondContact NH2-O 3.11Å
105P87.1Confident93.4Very high35 Ų3531.6 Ų31.623%0.22717%0.168CC..THydrogen-bonded Turntrans-57.8-34-175.926.5-35.2000112.4V47 W75 T77 H80V47-P105 HydrophobicContact CG1-CB 4.04Å; V47-P105 HydrophobicContact CG2-CB 4.22Å; W75-P105 HydrophobicContact CB-CB 4.25Å; T77-P105 HydrophobicContact CG2-CG 4.24Å; H80-P105 VanDerWaalsContact CE1-CD 3.42Å; H80-P105 WeakPolarHBondContact CE1-CD 3.26Å
106N82.9Confident93.4Very high25 Ų2533.7 Ų33.713%0.13418%0.177CC..THydrogen-bonded Turntrans-12228.8179.7-100.517.5000112.9S59 S74 W75 R104 K108S59-N106 PolarHBondContact N-O 3.05Å; S74-N106 VanDerWaalsContact CA-ND2 3.34Å; S74-N106 WeakPolarHBondContact CA-ND2 3.44Å; S74-N106 VanDerWaalsContact CB-ND2 3.27Å; S74-N106 WeakPolarHBondContact CB-ND2 3.24Å; S74-N106 PolarHBondContact OG-ND2 3.21Å; W75-N106 WeakPolarHBondContact CB-OD1 3.49Å; W75-N106 VanDerWaalsContact CE3-OD1 3.31Å; W75-N106 VanDerWaalsContact N-CG 3.33Å; W75-N106 PolarHBondContact N-ND2 3.47Å; W75-N106 PolarHBondContact N-OD1 3.03Å; W75-N106 VanDerWaalsContact O-CB 3.29Å; W75-N106 WeakPolarHBondContact O-CB 3.39Å; W75-N106 VanDerWaalsContact O-CG 3.26Å; R104-N106 PolarHBondContact O-N 3.37Å; N106-K108 VanDerWaalsContact C-N 3.29Å; N106-K108 PolarHBondContact O-N 2.85Å
107G88.8Confident93.4Very high8 Ų832.9 Ų32.98%0.08217%0.171CC..BIsolated β-bridgetrans86.4-25.6174.500000115.6R104 S137 L138R104-G107 PolarHBondContact NE-O 3.16Å; R104-G107 PolarHBondContact NH2-O 3.02Å; R104-G107 PolarHBondContact O-N 3.24Å; G107-S137 CarbonylContact O-C 3.41Å; G107-S137 WeakPolarHBondContact O-CA 3.15Å; G107-L138 PolarHBondContact O-N 3.29Å; G107-L138 VanDerWaalsContact O-N 3.13Å
108K93.7Very high93.5Very high7 Ų731.1 Ų31.13%0.0317%0.168CC..  trans-88.7153.5170.2-69.6179.1-179.9171.60111.5V56 A58 H80 R104 N106 H112 V113 E116 F146V56-K108 WeakPolarHBondContact O-CD 3.46Å; V56-K108 PolarHBondContact O-NZ 3.09Å; A58-K108 WeakPolarHBondContact O-CE 3.21Å; A58-K108 PolarHBondContact O-NZ 2.9Å; H80-K108 PolarHBondContact NE2-O 2.69Å; R104-K108 VanDerWaalsContact CA-O 3.26Å; R104-K108 WeakPolarHBondContact CA-O 3.44Å; N106-K108 VanDerWaalsContact C-N 3.29Å; N106-K108 PolarHBondContact O-N 2.85Å; K108-H112 HydrophobicContact CB-CB 4.09Å; K108-H112 HydrophobicContact CG-CB 4.25Å; K108-V113 HydrophobicContact CB-CG2 4.19Å; K108-V113 HydrophobicContact CD-CG2 4.34Å; K108-E116 IonicContact NZ-OE1 3.38Å; K108-E116 PolarHBondContact NZ-OE1 3.18Å; K108-E116 IonicContact NZ-OE2 2.59Å; K108-E116 PolarHBondContact NZ-OE2 3.48Å; K108-F146 HydrophobicContact CD-CE1 4.49Å; K108-F146 HydrophobicContact CD-CZ 4.44Å
109T95.8Very high93.7Very high1 Ų125.7 Ų25.71%0.00614%0.138CC..  trans-92.9164.1165.165.10000109.1C103 R104 L111 H112 V113C103-T109 WeakPolarHBondContact O-CA 3.14Å; R104-T109 HydrophobicContact CG-CG2 3.45Å; R104-T109 VanDerWaalsContact CG-CG2 3.45Å; T109-L111 PolarHBondContact O-N 2.84Å; T109-L111 VanDerWaalsContact O-N 3.14Å; T109-L111 PolarHBondContact OG1-N 3.44Å; T109-H112 PolarHBondContact N-ND1 2.98Å; T109-H112 PolarHBondContact O-N 3.38Å; T109-H112 PolarHBondContact OG1-CE1 3.3Å; T109-H112 PolarHBondContact OG1-N 3.27Å; T109-H112 PolarHBondContact OG1-ND1 2.75Å; T109-V113 PolarHBondContact O-N 3.14Å
110P95.9Very high93.8Very high0 Ų025.9 Ų25.90%014%0.14CC..Hα-helixtrans-53.9-33171.5-26.435.5000112.8L79 H80 V83 I101 V113 A114 L126L79-P110 HydrophobicContact CB-CB 4.37Å; L79-P110 HydrophobicContact CB-CG 3.85Å; L79-P110 HydrophobicContact CD1-CG 4.37Å; H80-P110 WeakPolarHBondContact NE2-CD 3.45Å; V83-P110 HydrophobicContact CG2-CB 4.23Å; I101-P110 VanDerWaalsContact O-CD 3.23Å; I101-P110 WeakPolarHBondContact O-CD 3.47Å; I101-P110 WeakPolarHBondContact O-CG 3.14Å; P110-V113 PolarHBondContact O-N 3.12Å; P110-A114 WeakPolarHBondContact O-CB 3.26Å; P110-A114 PolarHBondContact O-N 3.12Å; P110-L126 HydrophobicContact CB-CD1 4Å; P110-L126 HydrophobicContact CB-CD2 4.15Å
111L97.2Very high93.9Very high2 Ų227.6 Ų27.61%0.0115%0.147CC..Hα-helixtrans-66.4-39.8177.7-169.165.3000112.7T109 A114 C115 V123 L126 A131 L133 A143 L159T109-L111 PolarHBondContact O-N 2.84Å; T109-L111 VanDerWaalsContact O-N 3.14Å; T109-L111 PolarHBondContact OG1-N 3.44Å; L111-A114 PolarHBondContact O-N 3.38Å; L111-C115 PolarHBondContact O-N 2.98Å; L111-C115 PolarHBondContact O-SG 2.96Å; L111-C115 VanDerWaalsContact O-SG 3.42Å; L111-V123 HydrophobicContact CD1-CG1 4.2Å; L111-V123 HydrophobicContact CD1-CG2 4.39Å; L111-L126 HydrophobicContact CB-CD1 4.41Å; L111-L126 HydrophobicContact CD1-CB 4.07Å; L111-L126 HydrophobicContact CD1-CD1 4.23Å; L111-A131 HydrophobicContact CD2-CB 4.19Å; L111-L133 HydrophobicContact CD2-CD2 3.82Å; L111-A143 HydrophobicContact CD2-CB 4.15Å; L111-A143 HydrophobicContact CG-CB 4.07Å; L111-L159 HydrophobicContact CD1-CD2 4.02Å; L111-L159 HydrophobicContact CD2-CD2 3.88Å; L111-L159 HydrophobicContact CG-CD2 4.19Å
112H96.8Very high94.1Very high1 Ų126.1 Ų26.11%0.00514%0.139CC..Hα-helixtrans-62.3-45.3174.9-63.8102.2000110.9K108 T109 A114 C115 E116 C135 S137 H141 A143 F146K108-H112 HydrophobicContact CB-CB 4.09Å; K108-H112 HydrophobicContact CG-CB 4.25Å; T109-H112 PolarHBondContact N-ND1 2.98Å; T109-H112 PolarHBondContact O-N 3.38Å; T109-H112 PolarHBondContact OG1-CE1 3.3Å; T109-H112 PolarHBondContact OG1-N 3.27Å; T109-H112 PolarHBondContact OG1-ND1 2.75Å; H112-A114 VanDerWaalsContact C-N 3.29Å; H112-A114 PolarHBondContact O-N 2.87Å; H112-C115 PolarHBondContact O-N 3.4Å; H112-E116 PolarHBondContact O-N 3.42Å; H112-E116 VanDerWaalsContact O-N 3.09Å; H112-C135 PolarHBondContact NE2-O 3.47Å; H112-S137 PolarHBondContact CE1-N 3.1Å; H112-H141 PolarHBondContact NE2-O 2.98Å; H112-A143 PolarHBondContact CD2-N 2.78Å; H112-A143 VanDerWaalsContact CD2-N 3.34Å; H112-A143 PolarHBondContact NE2-N 3.01Å; H112-F146 HydrophobicContact CB-CD2 3.99Å; H112-F146 HydrophobicContact CB-CE2 4.03Å; H112-F146 AromaticContact CD2-CD2 3.6Å; H112-F146 AromaticContact CD2-CE2 3.48Å; H112-F146 VanDerWaalsContact CD2-CE2 3.48Å; H112-F146 WeakPolarHBondContact CD2-CE2 3.33Å
113V95.6Very high94.3Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-62.4-38.3177.7179.10000111V56 L57 V83 L84 K108 T109 P110 C115 E116 M117V56-V113 HydrophobicContact CG1-CG1 4.07Å; L57-V113 HydrophobicContact CD2-CG1 4.34Å; L57-V113 HydrophobicContact CD2-CG2 4.29Å; V83-V113 HydrophobicContact CB-CG1 4.48Å; V83-V113 HydrophobicContact CG1-CB 4.17Å; V83-V113 HydrophobicContact CG1-CG1 3.97Å; L84-V113 HydrophobicContact CB-CG1 4.31Å; L84-V113 HydrophobicContact CD1-CG1 4.4Å; K108-V113 HydrophobicContact CB-CG2 4.19Å; K108-V113 HydrophobicContact CD-CG2 4.34Å; T109-V113 PolarHBondContact O-N 3.14Å; P110-V113 PolarHBondContact O-N 3.12Å; V113-C115 VanDerWaalsContact C-N 3.34Å; V113-C115 PolarHBondContact O-N 2.95Å; V113-E116 PolarHBondContact O-N 3.25Å; V113-M117 HydrophobicContact CG1-CG 4.26Å; V113-M117 WeakPolarHBondContact O-CB 3.47Å; V113-M117 WeakPolarHBondContact O-CG 3.28Å; V113-M117 PolarHBondContact O-N 2.55Å
114A96.4Very high94.6Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-62.8-40.6178.600000112.2V83 P110 L111 H112 A118 N119 C122 V123 L126V83-A114 HydrophobicContact CG1-CB 3.46Å; V83-A114 VanDerWaalsContact CG1-CB 3.46Å; V83-A114 VanDerWaalsContact CG1-N 3.31Å; P110-A114 WeakPolarHBondContact O-CB 3.26Å; P110-A114 PolarHBondContact O-N 3.12Å; L111-A114 PolarHBondContact O-N 3.38Å; H112-A114 VanDerWaalsContact C-N 3.29Å; H112-A114 PolarHBondContact O-N 2.87Å; A114-A118 PolarHBondContact O-N 3.2Å; A114-A118 VanDerWaalsContact O-N 3.1Å; A114-N119 PolarHBondContact O-N 3.46Å; A114-C122 HydrophobicContact CB-CB 4.12Å; A114-V123 HydrophobicContact CB-CG2 3.56Å; A114-L126 HydrophobicContact CB-CD1 4.19Å
115C97Very high94.9Very high0 Ų024.7 Ų24.70%013%0.132CC..Hα-helixtrans-67.1-45.1176.5-700000112.5L111 H112 V113 M117 A118 A143 F146 L159L111-C115 PolarHBondContact O-N 2.98Å; L111-C115 PolarHBondContact O-SG 2.96Å; L111-C115 VanDerWaalsContact O-SG 3.42Å; H112-C115 PolarHBondContact O-N 3.4Å; V113-C115 VanDerWaalsContact C-N 3.34Å; V113-C115 PolarHBondContact O-N 2.95Å; C115-M117 VanDerWaalsContact C-N 3.32Å; C115-M117 PolarHBondContact O-N 3Å; C115-A118 PolarHBondContact O-N 3.13Å; C115-A143 WeakPolarHBondContact CB-O 3.3Å; C115-F146 HydrophobicContact CB-CB 3.95Å; C115-L159 WeakPolarHBondContact SG-CD1 3.19Å
116E95Very high95.4Very high56 Ų5623 Ų2326%0.26212%0.121SC..Hα-helixtrans-64.2-37.9178.1-172.3170.4-175.100112V56 K108 H112 V113 A118 F146V56-E116 HydrophobicContact CG1-CG 4.25Å; K108-E116 IonicContact NZ-OE1 3.38Å; K108-E116 PolarHBondContact NZ-OE1 3.18Å; K108-E116 IonicContact NZ-OE2 2.59Å; K108-E116 PolarHBondContact NZ-OE2 3.48Å; H112-E116 PolarHBondContact O-N 3.42Å; H112-E116 VanDerWaalsContact O-N 3.09Å; V113-E116 PolarHBondContact O-N 3.25Å; E116-A118 PolarHBondContact O-N 3.15Å; E116-F146 HydrophobicContact CB-CB 4.2Å; E116-F146 HydrophobicContact CB-CD1 4.24Å; E116-F146 HydrophobicContact CG-CD1 4.42Å
117M95.2Very high96.1Very high80 Ų8022.6 Ų22.639%0.39412%0.12SC..THydrogen-bonded Turntrans-80.81174-67-50.1-44.900114.1V56 L84 V113 C115 N119V56-M117 HydrophobicContact CG1-CG 4.09Å; V56-M117 HydrophobicContact CG1-SD 3.82Å; V56-M117 HydrophobicContact CG2-SD 4.16Å; L84-M117 HydrophobicContact CD1-CG 4.18Å; L84-M117 HydrophobicContact CD1-SD 4.04Å; V113-M117 HydrophobicContact CG1-CG 4.26Å; V113-M117 WeakPolarHBondContact O-CB 3.47Å; V113-M117 WeakPolarHBondContact O-CG 3.28Å; V113-M117 PolarHBondContact O-N 2.55Å; C115-M117 VanDerWaalsContact C-N 3.32Å; C115-M117 PolarHBondContact O-N 3Å; M117-N119 PolarHBondContact O-N 2.77Å
118A96.3Very high96.4Very high23 Ų2326.6 Ų26.619%0.1914%0.139CC..THydrogen-bonded Turntrans53.632.2-178.100000114.4A114 C115 E116 A120 S151 C155A114-A118 PolarHBondContact O-N 3.2Å; A114-A118 VanDerWaalsContact O-N 3.1Å; C115-A118 PolarHBondContact O-N 3.13Å; E116-A118 PolarHBondContact O-N 3.15Å; A118-A120 PolarHBondContact O-N 3.46Å; A118-S151 VanDerWaalsContact CB-OG 3.28Å; A118-S151 WeakPolarHBondContact CB-OG 3.48Å; A118-C155 VanDerWaalsContact C-SG 3.54Å
119N96.1Very high96.5Very high29 Ų2931 Ų3116%0.15516%0.155CC..  trans-94.292-179-169.8-31.8000111.6G86 A114 M117 D121 C122 V123G86-N119 WeakPolarHBondContact CA-ND2 3.35Å; A114-N119 PolarHBondContact O-N 3.46Å; M117-N119 PolarHBondContact O-N 2.77Å; N119-D121 VanDerWaalsContact C-N 3.32Å; N119-D121 PolarHBondContact O-N 3.41Å; N119-D121 PolarHBondContact OD1-N 3.42Å; N119-C122 HydrophobicContact CB-CB 4.11Å; N119-C122 VanDerWaalsContact CG-SG 3.53Å; N119-C122 PolarHBondContact ND2-SG 3.4Å; N119-C122 VanDerWaalsContact ND2-SG 3.38Å; N119-C122 PolarHBondContact O-N 3.05Å; N119-C122 PolarHBondContact OD1-N 3.28Å; N119-V123 WeakPolarHBondContact O-CG2 3.45Å; N119-V123 PolarHBondContact O-N 3.5Å
120A96.4Very high96.4Very high12 Ų1233.4 Ų33.410%0.09918%0.181CC..Hα-helixtrans-66.1-29.2-177.700000113.7A118 V123 K124 L154 C155 Q158A118-A120 PolarHBondContact O-N 3.46Å; A120-V123 PolarHBondContact O-N 2.93Å; A120-K124 WeakPolarHBondContact O-CB 3.21Å; A120-K124 PolarHBondContact O-N 3.26Å; A120-L154 HydrophobicContact CB-CB 4.22Å; A120-L154 HydrophobicContact CB-CD2 3.58Å; A120-L154 HydrophobicContact CB-CG 3.74Å; A120-C155 PolarHBondContact N-SG 3.1Å; A120-C155 VanDerWaalsContact N-SG 3.44Å; A120-Q158 PolarHBondContact O-NE2 2.87Å; A120-Q158 PolarHBondContact O-OE1 3.18Å
121D97.1Very high96.5Very high103 Ų10333.9 Ų33.955%0.55118%0.184SC*.Hα-helixtrans-69-43.9177.6-66.1-38.8000110.8V88 N119 K124 I125V88-D121 HydrophobicContact CG2-CB 4.04Å; N119-D121 VanDerWaalsContact C-N 3.32Å; N119-D121 PolarHBondContact O-N 3.41Å; N119-D121 PolarHBondContact OD1-N 3.42Å; D121-K124 PolarHBondContact O-N 2.86Å; D121-I125 WeakPolarHBondContact O-CG1 3.42Å; D121-I125 PolarHBondContact O-N 3.3Å
122C97.3Very high96.4Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-61.8-43.7172.8-73.70000111.8V83 L91 A114 N119 K124 I125 L126V83-C122 HydrophobicContact CG1-CB 4.3Å; V83-C122 HydrophobicContact CG2-CB 4.24Å; L91-C122 HydrophobicContact CD2-CB 4.08Å; A114-C122 HydrophobicContact CB-CB 4.12Å; N119-C122 HydrophobicContact CB-CB 4.11Å; N119-C122 VanDerWaalsContact CG-SG 3.53Å; N119-C122 PolarHBondContact ND2-SG 3.4Å; N119-C122 VanDerWaalsContact ND2-SG 3.38Å; N119-C122 PolarHBondContact O-N 3.05Å; N119-C122 PolarHBondContact OD1-N 3.28Å; C122-K124 PolarHBondContact O-N 3.16Å; C122-I125 PolarHBondContact O-N 2.93Å; C122-L126 WeakPolarHBondContact O-CB 3.33Å; C122-L126 WeakPolarHBondContact O-CD1 3.26Å; C122-L126 WeakPolarHBondContact O-CG 3.42Å; C122-L126 PolarHBondContact O-N 3.33Å
123V97.7Very high96.4Very high0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-58.1-48.8175.8170.40000110.7L111 A114 N119 A120 I125 L126 C127 C155 Q158 L159L111-V123 HydrophobicContact CD1-CG1 4.2Å; L111-V123 HydrophobicContact CD1-CG2 4.39Å; A114-V123 HydrophobicContact CB-CG2 3.56Å; N119-V123 WeakPolarHBondContact O-CG2 3.45Å; N119-V123 PolarHBondContact O-N 3.5Å; A120-V123 PolarHBondContact O-N 2.93Å; V123-I125 PolarHBondContact O-N 2.94Å; V123-L126 PolarHBondContact O-N 3.4Å; V123-C127 WeakPolarHBondContact O-CB 3.49Å; V123-C127 PolarHBondContact O-N 3.33Å; V123-C127 PolarHBondContact O-SG 3.12Å; V123-C155 HydrophobicContact CG2-CB 3.94Å; V123-Q158 HydrophobicContact CG1-CB 4.2Å; V123-L159 HydrophobicContact CG1-CD2 4.04Å; V123-L159 HydrophobicContact CG1-CG 4.08Å
124K97.4Very high96.4Very high110 Ų11045.1 Ų45.148%0.47824%0.238SC..Hα-helixtrans-56.7-51.7178.3-176.9-179.6176.8-1750111.9A120 D121 C122 L126 C127 D128A120-K124 WeakPolarHBondContact O-CB 3.21Å; A120-K124 PolarHBondContact O-N 3.26Å; D121-K124 PolarHBondContact O-N 2.86Å; C122-K124 PolarHBondContact O-N 3.16Å; K124-L126 PolarHBondContact O-N 2.92Å; K124-C127 PolarHBondContact O-N 3.45Å; K124-D128 WeakPolarHBondContact O-CB 3.26Å; K124-D128 VanDerWaalsContact O-CG 3.27Å; K124-D128 PolarHBondContact O-N 3.22Å
125I97.6Very high96.3Very high27 Ų2746.1 Ų46.114%0.13825%0.245CC..Hα-helixtrans-61.4-45.5-179-69.1166000111.2V88 L91 L92 L95 D121 C122 V123 C127 D128 R129V88-I125 HydrophobicContact CG1-CD1 3.41Å; V88-I125 VanDerWaalsContact CG1-CD1 3.41Å; L91-I125 HydrophobicContact CD2-CB 4.23Å; L91-I125 HydrophobicContact CD2-CD1 4.45Å; L91-I125 HydrophobicContact CD2-CG2 4.02Å; L91-I125 HydrophobicContact CG-CG2 4.36Å; L92-I125 HydrophobicContact CD2-CD1 4.18Å; L92-I125 HydrophobicContact CD2-CG1 4.45Å; L92-I125 HydrophobicContact CD2-CG2 3.86Å; L92-I125 HydrophobicContact CG-CD1 4.31Å; L95-I125 HydrophobicContact CD1-CG2 3.7Å; D121-I125 WeakPolarHBondContact O-CG1 3.42Å; D121-I125 PolarHBondContact O-N 3.3Å; C122-I125 PolarHBondContact O-N 2.93Å; V123-I125 PolarHBondContact O-N 2.94Å; I125-C127 VanDerWaalsContact C-N 3.34Å; I125-C127 PolarHBondContact O-N 2.93Å; I125-D128 PolarHBondContact O-N 3.48Å; I125-R129 WeakPolarHBondContact O-CB 3.32Å; I125-R129 VanDerWaalsContact O-CG 3.26Å; I125-R129 WeakPolarHBondContact O-CG 3.45Å; I125-R129 PolarHBondContact O-N 3.38Å
126L97.4Very high96.3Very high0 Ų049.7 Ų49.70%026%0.259CS..Hα-helixtrans-62.4-42.3178.6-71.8170.2000111.4V83 L91 I101 P110 L111 A114 C122 V123 K124 R129 G130 A131V83-L126 HydrophobicContact CG2-CD1 4.09Å; L91-L126 HydrophobicContact CD1-CD2 4.23Å; I101-L126 HydrophobicContact CG2-CD2 4.26Å; P110-L126 HydrophobicContact CB-CD1 4Å; P110-L126 HydrophobicContact CB-CD2 4.15Å; L111-L126 HydrophobicContact CB-CD1 4.41Å; L111-L126 HydrophobicContact CD1-CB 4.07Å; L111-L126 HydrophobicContact CD1-CD1 4.23Å; A114-L126 HydrophobicContact CB-CD1 4.19Å; C122-L126 WeakPolarHBondContact O-CB 3.33Å; C122-L126 WeakPolarHBondContact O-CD1 3.26Å; C122-L126 WeakPolarHBondContact O-CG 3.42Å; C122-L126 PolarHBondContact O-N 3.33Å; V123-L126 PolarHBondContact O-N 3.4Å; K124-L126 PolarHBondContact O-N 2.92Å; L126-R129 PolarHBondContact O-N 3.42Å; L126-G130 PolarHBondContact O-N 3.37Å; L126-A131 HydrophobicContact CB-CB 4.07Å; L126-A131 WeakPolarHBondContact O-CB 3.44Å; L126-A131 PolarHBondContact O-N 3.17Å
127C96.5Very high96.2Very high16 Ų1647.3 Ų47.311%0.10825%0.249CC..Hα-helixtrans-64.4-45.3176.2-66.90000111.9V123 K124 I125 R129 G130 L133 K162V123-C127 WeakPolarHBondContact O-CB 3.49Å; V123-C127 PolarHBondContact O-N 3.33Å; V123-C127 PolarHBondContact O-SG 3.12Å; K124-C127 PolarHBondContact O-N 3.45Å; I125-C127 VanDerWaalsContact C-N 3.34Å; I125-C127 PolarHBondContact O-N 2.93Å; C127-R129 PolarHBondContact O-N 2.96Å; C127-G130 PolarHBondContact O-N 3.39Å; C127-L133 VanDerWaalsContact SG-CD2 3.58Å; C127-K162 HydrophobicContact CB-CD 4.41Å; C127-K162 HydrophobicContact CB-CG 3.99Å
128D95.9Very high96.1Very high91 Ų9147.7 Ų47.749%0.48725%0.252SS..Hα-helixtrans-63.4-26.7179-71.1-19.5000112.3K124 I125 K162K124-D128 WeakPolarHBondContact O-CB 3.26Å; K124-D128 VanDerWaalsContact O-CG 3.27Å; K124-D128 PolarHBondContact O-N 3.22Å; I125-D128 PolarHBondContact O-N 3.48Å; D128-K162 WeakPolarHBondContact OD1-CE 3.44Å; D128-K162 IonicContact OD1-NZ 3.03Å; D128-K162 PolarHBondContact OD1-NZ 2.95Å
129R95.9Very high95.7Very high99 Ų9947.8 Ų47.837%0.37425%0.251SS..THydrogen-bonded Turntrans-89.34.5175.5-64.7-77.1-173.3119.73.4113.8L95 D96 I101 I125 L126 C127L95-R129 HydrophobicContact CD1-CG 4.14Å; L95-R129 PolarHBondContact O-NH1 2.91Å; D96-R129 IonicContact OD1-CZ 3.8Å; D96-R129 IonicContact OD1-NH1 3.6Å; D96-R129 PolarHBondContact OD1-NH1 3.21Å; D96-R129 IonicContact OD1-NH2 3.41Å; D96-R129 PolarHBondContact OD1-NH2 3.35Å; I101-R129 HydrophobicContact CD1-CB 3.64Å; I101-R129 WeakPolarHBondContact CD1-O 3.37Å; I125-R129 WeakPolarHBondContact O-CB 3.32Å; I125-R129 VanDerWaalsContact O-CG 3.26Å; I125-R129 WeakPolarHBondContact O-CG 3.45Å; I125-R129 PolarHBondContact O-N 3.38Å; L126-R129 PolarHBondContact O-N 3.42Å; C127-R129 PolarHBondContact O-N 2.96Å
130G94.2Very high95.7Very high53 Ų5346.6 Ų46.655%0.54625%0.245SC..THydrogen-bonded Turntrans87.431.3174.400000115L126 C127L126-G130 PolarHBondContact O-N 3.37Å; C127-G130 PolarHBondContact O-N 3.39Å
131A96.4Very high95.6Very high9 Ų948 Ų487%0.07425%0.25CC..  trans-58140.1168.900000111.6I101 L111 L126 L133I101-A131 HydrophobicContact CG2-CB 3.58Å; L111-A131 HydrophobicContact CD2-CB 4.19Å; L126-A131 HydrophobicContact CB-CB 4.07Å; L126-A131 WeakPolarHBondContact O-CB 3.44Å; L126-A131 PolarHBondContact O-N 3.17Å; A131-L133 PolarHBondContact O-N 3.43Å
132K96.4Very high95.6Very high135 Ų13543.2 Ų43.259%0.58722%0.224SC*.  trans-74.7110.6176.3-70.3179.9-179.7-177.20109.6N102 C135N102-K132 PolarHBondContact OD1-N 3.3Å; K132-C135 HydrophobicContact CB-CB 4.31Å; K132-C135 PolarHBondContact O-SG 2.95Å
133L96.3Very high95.6Very high25 Ų2543.2 Ų43.213%0.13122%0.224CC..SBendtrans-71.2-39.7-178.2-48.9-178.2000112.6L111 C127 A131 C135 L159 K162 A164L111-L133 HydrophobicContact CD2-CD2 3.82Å; C127-L133 VanDerWaalsContact SG-CD2 3.58Å; A131-L133 PolarHBondContact O-N 3.43Å; L133-C135 PolarHBondContact O-N 3.46Å; L133-L159 HydrophobicContact CD2-CD2 3.85Å; L133-K162 HydrophobicContact CD1-CB 3.78Å; L133-K162 WeakPolarHBondContact CD1-O 3.41Å; L133-A164 HydrophobicContact CB-CB 4.06Å; L133-A164 HydrophobicContact CD1-CB 4.28Å
134N95.9Very high95.6Very high79 Ų7943.4 Ų43.442%0.42223%0.225SC..SBendtrans-10055.7-171.7-64.8-27.2000111.3N165 M168N134-N165 PolarHBondContact OD1-N 3.25Å; N134-M168 HydrophobicContact CB-CE 4.46Å; N134-M168 HydrophobicContact CB-SD 3.49Å; N134-M168 WeakPolarHBondContact CB-SD 3.35Å
135C94.9Very high95.6Very high21 Ų2138.4 Ų38.414%0.14220%0.204CC..  trans-129163.6177.674.60000111.7H112 K132 L133 T142H112-C135 PolarHBondContact NE2-O 3.47Å; K132-C135 HydrophobicContact CB-CB 4.31Å; K132-C135 PolarHBondContact O-SG 2.95Å; L133-C135 PolarHBondContact O-N 3.46Å; C135-T142 WeakPolarHBondContact O-CA 3.32Å
136Y95.7Very high95.6Very high75 Ų7538.2 Ų38.229%0.29420%0.202SC..  trans-107.810-145.8-102.4-41.2000121.8G140 H141 T142 M168 K169 N171Y136-G140 WeakPolarHBondContact CD1-O 3.32Å; Y136-G140 CarbonylContact O-C 3.35Å; Y136-G140 WeakPolarHBondContact O-CA 3.14Å; Y136-G140 PolarHBondContact O-N 3.17Å; Y136-H141 CarbonylContact C-O 3.53Å; Y136-H141 PolarHBondContact O-N 3.43Å; Y136-H141 VanDerWaalsContact O-O 3.06Å; Y136-T142 HydrophobicContact CD1-CG2 3.88Å; Y136-T142 HydrophobicContact CE1-CG2 3.73Å; Y136-M168 HydrophobicContact CD1-CE 4.42Å; Y136-M168 HydrophobicContact CE1-CE 3.71Å; Y136-M168 HydrophobicContact CE2-CE 3.85Å; Y136-M168 VanDerWaalsContact OH-CE 3.32Å; Y136-M168 WeakPolarHBondContact OH-CE 3.47Å; Y136-K169 VanDerWaalsContact CE1-O 3.22Å; Y136-K169 WeakPolarHBondContact CE1-O 3.21Å; Y136-K169 PolarHBondContact OH-O 3.16Å; Y136-N171 HydrophobicContact CD1-CB 3.93Å; Y136-N171 HydrophobicContact CD2-CB 4.02Å; Y136-N171 HydrophobicContact CE1-CB 3.9Å; Y136-N171 HydrophobicContact CE2-CB 3.95Å; Y136-N171 HydrophobicContact CG-CB 4.04Å
137S94.2Very high95.5Very high7 Ų738.3 Ų38.35%0.04920%0.202CC..  trans43.5171.8-168.4100.20000115.8S59 R104 G107 H112 S139 G140 H141S59-S137 PolarHBondContact OG-OG 3.19Å; R104-S137 PolarHBondContact NH2-O 3.11Å; G107-S137 CarbonylContact O-C 3.41Å; G107-S137 WeakPolarHBondContact O-CA 3.15Å; H112-S137 PolarHBondContact CE1-N 3.1Å; S137-S139 PolarHBondContact OG-N 2.86Å; S137-S139 PolarHBondContact OG-OG 3.45Å; S137-G140 PolarHBondContact OG-N 2.81Å; S137-H141 VanDerWaalsContact CB-O 3.24Å; S137-H141 WeakPolarHBondContact CB-O 3.07Å; S137-H141 PolarHBondContact N-O 3.27Å; S137-H141 VanDerWaalsContact N-O 3.15Å; S137-H141 PolarHBondContact OG-N 3.32Å; S137-H141 PolarHBondContact OG-O 3.09Å
138L91.6Very high95.5Very high88 Ų8839.4 Ų39.446%0.46121%0.209SC..SBendtrans-83.6-23.5178-176.261.3000111.4S59 K61 G107 G140S59-L138 WeakPolarHBondContact O-CD2 3.11Å; S59-L138 PolarHBondContact OG-N 2.99Å; K61-L138 HydrophobicContact CB-CG 4.47Å; G107-L138 PolarHBondContact O-N 3.29Å; G107-L138 VanDerWaalsContact O-N 3.13Å; L138-G140 PolarHBondContact O-N 3.42Å
139S89.8Confident95.5Very high25 Ų2537.4 Ų37.418%0.17520%0.2CC..SBendtrans-82.55.1172.558.60000112.5S59 Y60 S137 H141 N172S59-S139 WeakPolarHBondContact OG-CB 3.45Å; S59-S139 PolarHBondContact OG-N 3.33Å; S59-S139 PolarHBondContact OG-OG 3.09Å; Y60-S139 WeakPolarHBondContact O-CA 3.42Å; Y60-S139 WeakPolarHBondContact O-CB 3.42Å; S137-S139 PolarHBondContact OG-N 2.86Å; S137-S139 PolarHBondContact OG-OG 3.45Å; S139-H141 PolarHBondContact O-CE1 3.49Å; S139-H141 PolarHBondContact O-ND1 3.2Å; S139-H141 PolarHBondContact OG-ND1 3.32Å; S139-N172 WeakPolarHBondContact O-CB 3.26Å
140G94.4Very high95.5Very high3 Ų337.4 Ų37.43%0.03121%0.213CC..SBendtrans8015.2176.800000114.7Y136 S137 L138 T170 N171Y136-G140 WeakPolarHBondContact CD1-O 3.32Å; Y136-G140 CarbonylContact O-C 3.35Å; Y136-G140 WeakPolarHBondContact O-CA 3.14Å; Y136-G140 PolarHBondContact O-N 3.17Å; S137-G140 PolarHBondContact OG-N 2.81Å; L138-G140 PolarHBondContact O-N 3.42Å; G140-T170 CarbonylContact O-C 2.94Å; G140-T170 WeakPolarHBondContact O-CA 3.24Å; G140-T170 WeakPolarHBondContact O-CB 3.27Å; G140-N171 PolarHBondContact O-N 3.26Å
141H95.8Very high95.6Very high42 Ų4238.6 Ų38.619%0.19421%0.213CC..  trans-99.7139.4-177-67.865000111.2H112 Y136 S137 S139 H145 F146 N172H112-H141 PolarHBondContact NE2-O 2.98Å; Y136-H141 CarbonylContact C-O 3.53Å; Y136-H141 PolarHBondContact O-N 3.43Å; Y136-H141 VanDerWaalsContact O-O 3.06Å; S137-H141 VanDerWaalsContact CB-O 3.24Å; S137-H141 WeakPolarHBondContact CB-O 3.07Å; S137-H141 PolarHBondContact N-O 3.27Å; S137-H141 VanDerWaalsContact N-O 3.15Å; S137-H141 PolarHBondContact OG-N 3.32Å; S137-H141 PolarHBondContact OG-O 3.09Å; S139-H141 PolarHBondContact O-CE1 3.49Å; S139-H141 PolarHBondContact O-ND1 3.2Å; S139-H141 PolarHBondContact OG-ND1 3.32Å; H141-H145 HydrophobicContact CB-CB 4.07Å; H141-F146 HydrophobicContact CB-CD2 4.26Å; H141-F146 HydrophobicContact CB-CE2 3.5Å; H141-F146 VanDerWaalsContact CB-CE2 3.5Å; H141-F146 HydrophobicContact CB-CZ 3.83Å; H141-N172 PolarHBondContact CE1-ND2 3.15Å
142T97Very high95.5Very high2 Ų238.2 Ų38.21%0.01221%0.209CC..  trans-83.8169.3168.4750000111.3C135 Y136 L144 H145 F146 M168C135-T142 WeakPolarHBondContact O-CA 3.32Å; Y136-T142 HydrophobicContact CD1-CG2 3.88Å; Y136-T142 HydrophobicContact CE1-CG2 3.73Å; T142-L144 VanDerWaalsContact C-N 3.25Å; T142-L144 PolarHBondContact O-N 2.92Å; T142-H145 PolarHBondContact N-ND1 3.24Å; T142-H145 VanDerWaalsContact N-ND1 3.19Å; T142-H145 WeakPolarHBondContact O-CB 3.07Å; T142-H145 PolarHBondContact O-N 3.22Å; T142-H145 PolarHBondContact OG1-CE1 3.01Å; T142-H145 VanDerWaalsContact OG1-CE1 3.3Å; T142-H145 PolarHBondContact OG1-ND1 3.32Å; T142-F146 WeakPolarHBondContact O-CD2 3.46Å; T142-M168 HydrophobicContact CG2-CB 4Å; T142-M168 HydrophobicContact CG2-CE 3.62Å; T142-M168 HydrophobicContact CG2-SD 3.98Å
143A96.9Very high95.6Very high1 Ų132.4 Ų32.41%0.00819%0.185CC..G310 helixtrans-56.2-37179.100000113.3L111 H112 C115 H145 F146 L159L111-A143 HydrophobicContact CD2-CB 4.15Å; L111-A143 HydrophobicContact CG-CB 4.07Å; H112-A143 PolarHBondContact CD2-N 2.78Å; H112-A143 VanDerWaalsContact CD2-N 3.34Å; H112-A143 PolarHBondContact NE2-N 3.01Å; C115-A143 WeakPolarHBondContact CB-O 3.3Å; A143-H145 VanDerWaalsContact C-N 3.27Å; A143-H145 PolarHBondContact O-N 2.65Å; A143-F146 PolarHBondContact O-N 2.88Å; A143-F146 VanDerWaalsContact O-N 3.12Å; A143-L159 HydrophobicContact CB-CD1 3.79Å
144L97.9Very high95.6Very high4 Ų435.6 Ų35.62%0.02120%0.201CC..G310 helixtrans-62.9-30177.3-70.2175.4000113.2T142 F146 C147 A156 L159 V160 A164 V166 P178 Y194T142-L144 VanDerWaalsContact C-N 3.25Å; T142-L144 PolarHBondContact O-N 2.92Å; L144-F146 VanDerWaalsContact C-N 3.26Å; L144-F146 PolarHBondContact O-N 3.1Å; L144-C147 WeakPolarHBondContact O-CB 3.46Å; L144-C147 PolarHBondContact O-N 3.29Å; L144-A156 HydrophobicContact CD2-CB 4.2Å; L144-L159 HydrophobicContact CD2-CB 3.7Å; L144-L159 HydrophobicContact CD2-CD1 3.71Å; L144-L159 HydrophobicContact CD2-CG 4.39Å; L144-L159 HydrophobicContact CG-CD1 4.19Å; L144-V160 HydrophobicContact CD1-CG2 4.38Å; L144-V160 HydrophobicContact CD2-CG2 4.02Å; L144-A164 HydrophobicContact CD1-CB 3.91Å; L144-A164 HydrophobicContact CD2-CB 4.49Å; L144-A164 HydrophobicContact CG-CB 4.21Å; L144-V166 HydrophobicContact CD1-CG1 4.23Å; L144-P178 HydrophobicContact CB-CB 4.03Å; L144-P178 HydrophobicContact CB-CG 3.87Å; L144-P178 HydrophobicContact CD1-CG 4.15Å; L144-Y194 HydrophobicContact CD2-CE1 4.2Å
145H97.7Very high95.7Very high4 Ų431.8 Ų31.82%0.01918%0.181CC..G310 helixtrans-74-17.4177.7-60.287.1000112.8H141 T142 A143 C147 T148 M168 T170 E176 P178 T181H141-H145 HydrophobicContact CB-CB 4.07Å; T142-H145 PolarHBondContact N-ND1 3.24Å; T142-H145 VanDerWaalsContact N-ND1 3.19Å; T142-H145 WeakPolarHBondContact O-CB 3.07Å; T142-H145 PolarHBondContact O-N 3.22Å; T142-H145 PolarHBondContact OG1-CE1 3.01Å; T142-H145 VanDerWaalsContact OG1-CE1 3.3Å; T142-H145 PolarHBondContact OG1-ND1 3.32Å; A143-H145 VanDerWaalsContact C-N 3.27Å; A143-H145 PolarHBondContact O-N 2.65Å; H145-C147 VanDerWaalsContact C-N 3.28Å; H145-T148 WeakPolarHBondContact O-CG2 3.23Å; H145-M168 PolarHBondContact CE1-O 3.44Å; H145-M168 PolarHBondContact NE2-O 3.06Å; H145-T170 VanDerWaalsContact CD2-CG2 3.48Å; H145-T170 WeakPolarHBondContact CD2-CG2 3.49Å; H145-T170 WeakPolarHBondContact NE2-CG2 3.32Å; H145-E176 PolarHBondContact NE2-O 3.24Å; H145-P178 WeakPolarHBondContact NE2-CD 3.13Å; H145-T181 PolarHBondContact CD2-OG1 3.31Å
146F96.3Very high95.9Very high23 Ų2330.8 Ų30.810%0.10117%0.174CC..G310 helixtrans-84.6-3.7174.5-71.8-80.9000112.8K108 H112 C115 E116 H141 T142 A143 L144 T148K108-F146 HydrophobicContact CD-CE1 4.49Å; K108-F146 HydrophobicContact CD-CZ 4.44Å; H112-F146 HydrophobicContact CB-CD2 3.99Å; H112-F146 HydrophobicContact CB-CE2 4.03Å; H112-F146 AromaticContact CD2-CD2 3.6Å; H112-F146 AromaticContact CD2-CE2 3.48Å; H112-F146 VanDerWaalsContact CD2-CE2 3.48Å; H112-F146 WeakPolarHBondContact CD2-CE2 3.33Å; C115-F146 HydrophobicContact CB-CB 3.95Å; E116-F146 HydrophobicContact CB-CB 4.2Å; E116-F146 HydrophobicContact CB-CD1 4.24Å; E116-F146 HydrophobicContact CG-CD1 4.42Å; H141-F146 HydrophobicContact CB-CD2 4.26Å; H141-F146 HydrophobicContact CB-CE2 3.5Å; H141-F146 VanDerWaalsContact CB-CE2 3.5Å; H141-F146 HydrophobicContact CB-CZ 3.83Å; T142-F146 WeakPolarHBondContact O-CD2 3.46Å; A143-F146 PolarHBondContact O-N 2.88Å; A143-F146 VanDerWaalsContact O-N 3.12Å; L144-F146 VanDerWaalsContact C-N 3.26Å; L144-F146 PolarHBondContact O-N 3.1Å; F146-T148 VanDerWaalsContact C-N 3.31Å; F146-T148 PolarHBondContact O-N 3.4Å
147C96.9Very high96Very high2 Ų229.4 Ų29.41%0.01417%0.17CC..  trans-82.574.1173.7-64.90000111L144 H145 S152 A156 L190L144-C147 WeakPolarHBondContact O-CB 3.46Å; L144-C147 PolarHBondContact O-N 3.29Å; H145-C147 VanDerWaalsContact C-N 3.28Å; C147-S152 WeakPolarHBondContact CA-OG 3.36Å; C147-S152 WeakPolarHBondContact CB-OG 3.26Å; C147-A156 HydrophobicContact CB-CB 3.98Å; C147-L190 HydrophobicContact CB-CD2 4.43Å
148T96.2Very high96.2Very high40 Ų4030.6 Ų30.625%0.24517%0.174CC..  trans-103.1-1.7-17259.30000114.3H145 F146 S152 T181 F185H145-T148 WeakPolarHBondContact O-CG2 3.23Å; F146-T148 VanDerWaalsContact C-N 3.31Å; F146-T148 PolarHBondContact O-N 3.4Å; T148-S152 PolarHBondContact N-OG 3.22Å; T148-T181 HydrophobicContact CG2-CG2 3.99Å; T148-F185 HydrophobicContact CG2-CD2 3.76Å; T148-F185 HydrophobicContact CG2-CE2 3.33Å; T148-F185 HydrophobicContact CG2-CZ 3.83Å
149T95.6Very high96.5Very high49 Ų4926.4 Ų26.430%0.30115%0.153SC..SBendtrans-124.9157-176.361.40000112S151 S152T149-S151 PolarHBondContact O-N 3.06Å; T149-S151 PolarHBondContact OG1-OG 2.94Å; T149-S151 VanDerWaalsContact OG1-OG 3.09Å; T149-S152 PolarHBondContact N-OG 2.93Å; T149-S152 VanDerWaalsContact N-OG 3.15Å; T149-S152 WeakPolarHBondContact O-CB 3.33Å; T149-S152 PolarHBondContact O-N 3.16Å; T149-S152 PolarHBondContact O-OG 3.23Å; T149-S152 PolarHBondContact OG1-N 3.18Å; T149-S152 PolarHBondContact OG1-OG 2.91Å
150P95.3Very high96.9Very high98 Ų9826 Ų2664%0.63615%0.149SC*.G310 helixtrans-56.8-35.4175.8-26.735.4000113.7S152 I153 L187P150-S152 VanDerWaalsContact C-N 3.25Å; P150-S152 PolarHBondContact O-N 3.12Å; P150-I153 HydrophobicContact CB-CD1 4.4Å; P150-I153 WeakPolarHBondContact O-CB 3.23Å; P150-I153 WeakPolarHBondContact O-CD1 3.28Å; P150-I153 VanDerWaalsContact O-CG1 3.26Å; P150-I153 WeakPolarHBondContact O-CG1 3.45Å; P150-I153 PolarHBondContact O-N 3.08Å; P150-L187 HydrophobicContact CG-CD2 4.07Å
151S95.6Very high97Very high79 Ų7933.6 Ų33.655%0.55218%0.177SC*.G310 helixtrans-66.1-27.8176.449.90000112.8A118 T149 I153A118-S151 VanDerWaalsContact CB-OG 3.28Å; A118-S151 WeakPolarHBondContact CB-OG 3.48Å; T149-S151 PolarHBondContact O-N 3.06Å; T149-S151 PolarHBondContact OG1-OG 2.94Å; T149-S151 VanDerWaalsContact OG1-OG 3.09Å; S151-I153 VanDerWaalsContact C-N 3.3Å; S151-I153 PolarHBondContact O-N 3.3Å
152S96.3Very high97.1Very high0 Ų036.8 Ų36.80%019%0.19CC..G310 helixtrans-79.9-6.4179.973.60000114.2C147 T148 T149 P150 L154 C155 A156C147-S152 WeakPolarHBondContact CA-OG 3.36Å; C147-S152 WeakPolarHBondContact CB-OG 3.26Å; T148-S152 PolarHBondContact N-OG 3.22Å; T149-S152 PolarHBondContact N-OG 2.93Å; T149-S152 VanDerWaalsContact N-OG 3.15Å; T149-S152 WeakPolarHBondContact O-CB 3.33Å; T149-S152 PolarHBondContact O-N 3.16Å; T149-S152 PolarHBondContact O-OG 3.23Å; T149-S152 PolarHBondContact OG1-N 3.18Å; T149-S152 PolarHBondContact OG1-OG 2.91Å; P150-S152 VanDerWaalsContact C-N 3.25Å; P150-S152 PolarHBondContact O-N 3.12Å; S152-L154 VanDerWaalsContact C-N 3.28Å; S152-L154 PolarHBondContact O-N 3.15Å; S152-C155 WeakPolarHBondContact O-CA 3.4Å; S152-C155 VanDerWaalsContact O-CB 3.25Å; S152-C155 WeakPolarHBondContact O-CB 3.19Å; S152-C155 PolarHBondContact O-N 3.37Å; S152-A156 PolarHBondContact O-N 3.42Å; S152-A156 VanDerWaalsContact O-N 3.09Å
153I97Very high97Very high13 Ų1339 Ų397%0.06721%0.214CC..Hα-helixtrans-58.4-41.3-179.8-66169.6000111.2P150 S151 C155 A156 K157 E189 L190P150-I153 HydrophobicContact CB-CD1 4.4Å; P150-I153 WeakPolarHBondContact O-CB 3.23Å; P150-I153 WeakPolarHBondContact O-CD1 3.28Å; P150-I153 VanDerWaalsContact O-CG1 3.26Å; P150-I153 WeakPolarHBondContact O-CG1 3.45Å; P150-I153 PolarHBondContact O-N 3.08Å; S151-I153 VanDerWaalsContact C-N 3.3Å; S151-I153 PolarHBondContact O-N 3.3Å; I153-C155 VanDerWaalsContact C-N 3.27Å; I153-C155 PolarHBondContact O-N 2.99Å; I153-A156 PolarHBondContact O-N 2.87Å; I153-K157 HydrophobicContact CG2-CD 4.24Å; I153-K157 HydrophobicContact CG2-CG 4.46Å; I153-K157 WeakPolarHBondContact O-CG 3.02Å; I153-K157 PolarHBondContact O-N 2.97Å; I153-E189 HydrophobicContact CD1-CB 4.11Å; I153-E189 HydrophobicContact CD1-CG 4.49Å; I153-E189 HydrophobicContact CG2-CG 4.13Å; I153-L190 HydrophobicContact CG1-CB 4.44Å
154L97.8Very high97Very high92 Ų9239.4 Ų39.448%0.48222%0.217SC..Hα-helixtrans-63.3-36.1178.2-174.861.3000111.8A120 S152 K157 Q158A120-L154 HydrophobicContact CB-CB 4.22Å; A120-L154 HydrophobicContact CB-CD2 3.58Å; A120-L154 HydrophobicContact CB-CG 3.74Å; S152-L154 VanDerWaalsContact C-N 3.28Å; S152-L154 PolarHBondContact O-N 3.15Å; L154-K157 PolarHBondContact O-N 3Å; L154-Q158 WeakPolarHBondContact O-CG 3.3Å; L154-Q158 PolarHBondContact O-N 3.1Å; L154-Q158 VanDerWaalsContact O-N 3.11Å
155C98Very high97Very high0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-63.3-47.4174.8-63.20000110.9A118 A120 V123 S152 I153 K157 Q158 L159A118-C155 VanDerWaalsContact C-SG 3.54Å; A120-C155 PolarHBondContact N-SG 3.1Å; A120-C155 VanDerWaalsContact N-SG 3.44Å; V123-C155 HydrophobicContact CG2-CB 3.94Å; S152-C155 WeakPolarHBondContact O-CA 3.4Å; S152-C155 VanDerWaalsContact O-CB 3.25Å; S152-C155 WeakPolarHBondContact O-CB 3.19Å; S152-C155 PolarHBondContact O-N 3.37Å; I153-C155 VanDerWaalsContact C-N 3.27Å; I153-C155 PolarHBondContact O-N 2.99Å; C155-K157 PolarHBondContact O-N 2.85Å; C155-Q158 PolarHBondContact O-N 3.33Å; C155-L159 WeakPolarHBondContact O-CG 3.47Å; C155-L159 PolarHBondContact O-N 3.24Å
156A98Very high97Very high0 Ų042.7 Ų42.70%024%0.235CC..Hα-helixtrans-60.4-44177.900000112.1L144 C147 S152 I153 Q158 L159 V160 L190 Y194L144-A156 HydrophobicContact CD2-CB 4.2Å; C147-A156 HydrophobicContact CB-CB 3.98Å; S152-A156 PolarHBondContact O-N 3.42Å; S152-A156 VanDerWaalsContact O-N 3.09Å; I153-A156 PolarHBondContact O-N 2.87Å; A156-Q158 PolarHBondContact O-N 3.33Å; A156-L159 PolarHBondContact O-N 3.46Å; A156-V160 WeakPolarHBondContact O-CG2 3.26Å; A156-V160 PolarHBondContact O-N 3.42Å; A156-L190 HydrophobicContact CB-CD1 3.49Å; A156-L190 VanDerWaalsContact CB-CD1 3.49Å; A156-Y194 HydrophobicContact CB-CE1 4.18Å; A156-Y194 WeakPolarHBondContact CB-OH 3.48Å
157K98.1Very high97.1Very high45 Ų4543.9 Ų43.920%0.19624%0.242CC..Hα-helixtrans-56.7-48.3175.9-73.4179.8169.9177.90112.1I153 L154 C155 L159 V160 W161 E189 F193I153-K157 HydrophobicContact CG2-CD 4.24Å; I153-K157 HydrophobicContact CG2-CG 4.46Å; I153-K157 WeakPolarHBondContact O-CG 3.02Å; I153-K157 PolarHBondContact O-N 2.97Å; L154-K157 PolarHBondContact O-N 3Å; C155-K157 PolarHBondContact O-N 2.85Å; K157-L159 PolarHBondContact O-N 3.01Å; K157-V160 PolarHBondContact O-N 3.42Å; K157-W161 HydrophobicContact CB-CE3 4.43Å; K157-W161 HydrophobicContact CB-CH2 4.08Å; K157-W161 HydrophobicContact CB-CZ2 4.3Å; K157-W161 HydrophobicContact CB-CZ3 4.15Å; K157-W161 HydrophobicContact CD-CH2 4.49Å; K157-W161 VanDerWaalsContact O-CD2 3.3Å; K157-W161 VanDerWaalsContact O-CG 3.31Å; K157-W161 PolarHBondContact O-N 3.37Å; K157-E189 IonicContact NZ-OE1 3.27Å; K157-E189 PolarHBondContact NZ-OE1 3.37Å; K157-F193 HydrophobicContact CB-CE1 4.22Å; K157-F193 HydrophobicContact CB-CE2 4.39Å; K157-F193 HydrophobicContact CB-CZ 4Å; K157-F193 HydrophobicContact CD-CD2 4.46Å; K157-F193 HydrophobicContact CD-CE2 4.47Å; K157-F193 HydrophobicContact CG-CD1 3.99Å; K157-F193 HydrophobicContact CG-CD2 4.01Å; K157-F193 HydrophobicContact CG-CE1 3.84Å; K157-F193 HydrophobicContact CG-CE2 3.83Å; K157-F193 HydrophobicContact CG-CG 4.07Å; K157-F193 HydrophobicContact CG-CZ 3.77Å
158Q97.7Very high97.1Very high32 Ų3245 Ų4515%0.1525%0.248CC..Hα-helixtrans-60.8-43.9177-72.3-179.6-2.500112.6A120 V123 L154 C155 A156 V160 W161 K162A120-Q158 PolarHBondContact O-NE2 2.87Å; A120-Q158 PolarHBondContact O-OE1 3.18Å; V123-Q158 HydrophobicContact CG1-CB 4.2Å; L154-Q158 WeakPolarHBondContact O-CG 3.3Å; L154-Q158 PolarHBondContact O-N 3.1Å; L154-Q158 VanDerWaalsContact O-N 3.11Å; C155-Q158 PolarHBondContact O-N 3.33Å; A156-Q158 PolarHBondContact O-N 3.33Å; Q158-V160 PolarHBondContact O-N 3.38Å; Q158-W161 PolarHBondContact O-N 3.07Å; Q158-K162 WeakPolarHBondContact O-CB 3.4Å; Q158-K162 VanDerWaalsContact O-CG 3.25Å; Q158-K162 WeakPolarHBondContact O-CG 3.15Å; Q158-K162 PolarHBondContact O-N 3.05Å
159L97.9Very high97.2Very high0 Ų046.4 Ų46.40%025%0.25CS..Hα-helixtrans-59.6-46.9178-74.8178000111.8L111 C115 V123 L133 A143 L144 C155 A156 K157 K162 G163 A164L111-L159 HydrophobicContact CD1-CD2 4.02Å; L111-L159 HydrophobicContact CD2-CD2 3.88Å; L111-L159 HydrophobicContact CG-CD2 4.19Å; C115-L159 WeakPolarHBondContact SG-CD1 3.19Å; V123-L159 HydrophobicContact CG1-CD2 4.04Å; V123-L159 HydrophobicContact CG1-CG 4.08Å; L133-L159 HydrophobicContact CD2-CD2 3.85Å; A143-L159 HydrophobicContact CB-CD1 3.79Å; L144-L159 HydrophobicContact CD2-CB 3.7Å; L144-L159 HydrophobicContact CD2-CD1 3.71Å; L144-L159 HydrophobicContact CD2-CG 4.39Å; L144-L159 HydrophobicContact CG-CD1 4.19Å; C155-L159 WeakPolarHBondContact O-CG 3.47Å; C155-L159 PolarHBondContact O-N 3.24Å; A156-L159 PolarHBondContact O-N 3.46Å; K157-L159 PolarHBondContact O-N 3.01Å; L159-K162 CarbonylContact O-C 3.41Å; L159-K162 PolarHBondContact O-N 3.28Å; L159-G163 PolarHBondContact O-N 2.92Å; L159-A164 HydrophobicContact CB-CB 3.88Å; L159-A164 WeakPolarHBondContact O-CB 3.42Å; L159-A164 PolarHBondContact O-N 3.18Å
160V98Very high97.2Very high16 Ų1644.3 Ų44.310%0.09724%0.237CC..Hα-helixtrans-64.3-44.3179.7173.80000111.1L144 A156 K157 Q158 K162 G163 V166 F193 Y194 H197L144-V160 HydrophobicContact CD1-CG2 4.38Å; L144-V160 HydrophobicContact CD2-CG2 4.02Å; A156-V160 WeakPolarHBondContact O-CG2 3.26Å; A156-V160 PolarHBondContact O-N 3.42Å; K157-V160 PolarHBondContact O-N 3.42Å; Q158-V160 PolarHBondContact O-N 3.38Å; V160-K162 PolarHBondContact O-N 2.88Å; V160-G163 PolarHBondContact O-N 3.41Å; V160-V166 HydrophobicContact CB-CG1 4.45Å; V160-V166 HydrophobicContact CG1-CG1 4.12Å; V160-V166 HydrophobicContact CG2-CG1 3.48Å; V160-V166 VanDerWaalsContact CG2-CG1 3.48Å; V160-F193 HydrophobicContact CB-CE1 3.64Å; V160-F193 HydrophobicContact CB-CZ 3.97Å; V160-F193 HydrophobicContact CG1-CE1 3.87Å; V160-F193 HydrophobicContact CG1-CZ 4.01Å; V160-F193 HydrophobicContact CG2-CE1 3.78Å; V160-Y194 HydrophobicContact CG2-CD1 4.27Å; V160-Y194 HydrophobicContact CG2-CE1 3.98Å; V160-H197 HydrophobicContact CG1-CB 3.75Å
161W97.1Very high97.2Very high163 Ų16345.1 Ų45.162%0.61724%0.237SC*.Hα-helixtrans-62.9-26175.3-66.1-30000113.7K157 Q158 G163 F193 H197K157-W161 HydrophobicContact CB-CE3 4.43Å; K157-W161 HydrophobicContact CB-CH2 4.08Å; K157-W161 HydrophobicContact CB-CZ2 4.3Å; K157-W161 HydrophobicContact CB-CZ3 4.15Å; K157-W161 HydrophobicContact CD-CH2 4.49Å; K157-W161 VanDerWaalsContact O-CD2 3.3Å; K157-W161 VanDerWaalsContact O-CG 3.31Å; K157-W161 PolarHBondContact O-N 3.37Å; Q158-W161 PolarHBondContact O-N 3.07Å; W161-G163 VanDerWaalsContact C-N 3.3Å; W161-F193 HydrophobicContact CZ2-CE2 4.24Å; W161-F193 AromaticContact NE1-CE2 3.81Å; W161-F193 AromaticContact NE1-CZ 3.8Å; W161-H197 AromaticContact NE1-NE2 3.73Å
162K96.8Very high97Very high109 Ų10942.7 Ų42.747%0.47422%0.217SC..THydrogen-bonded Turntrans-85.40.7173.7-67-69-169.8172.50113.5C127 D128 L133 Q158 L159 V160C127-K162 HydrophobicContact CB-CD 4.41Å; C127-K162 HydrophobicContact CB-CG 3.99Å; D128-K162 WeakPolarHBondContact OD1-CE 3.44Å; D128-K162 IonicContact OD1-NZ 3.03Å; D128-K162 PolarHBondContact OD1-NZ 2.95Å; L133-K162 HydrophobicContact CD1-CB 3.78Å; L133-K162 WeakPolarHBondContact CD1-O 3.41Å; Q158-K162 WeakPolarHBondContact O-CB 3.4Å; Q158-K162 VanDerWaalsContact O-CG 3.25Å; Q158-K162 WeakPolarHBondContact O-CG 3.15Å; Q158-K162 PolarHBondContact O-N 3.05Å; L159-K162 CarbonylContact O-C 3.41Å; L159-K162 PolarHBondContact O-N 3.28Å; V160-K162 PolarHBondContact O-N 2.88Å
163G95.9Very high96.7Very high49 Ų4949.3 Ų49.351%0.50525%0.248SC..THydrogen-bonded Turntrans95.823175.200000115.1L159 V160 W161L159-G163 PolarHBondContact O-N 2.92Å; V160-G163 PolarHBondContact O-N 3.41Å; W161-G163 VanDerWaalsContact C-N 3.3Å
164A97.5Very high96.5Very high9 Ų950.6 Ų50.67%0.07426%0.255CS..  trans-63.9137.6168.900000110.6L133 L144 L159 V166L133-A164 HydrophobicContact CB-CB 4.06Å; L133-A164 HydrophobicContact CD1-CB 4.28Å; L144-A164 HydrophobicContact CD1-CB 3.91Å; L144-A164 HydrophobicContact CD2-CB 4.49Å; L144-A164 HydrophobicContact CG-CB 4.21Å; L159-A164 HydrophobicContact CB-CB 3.88Å; L159-A164 WeakPolarHBondContact O-CB 3.42Å; L159-A164 PolarHBondContact O-N 3.18Å; A164-V166 PolarHBondContact O-N 3.07Å
165N97.6Very high96.4Very high70 Ų7050.4 Ų50.437%0.37425%0.252SS..  trans-82.8110.2-178.91791000110.6N134 N167 M168N134-N165 PolarHBondContact OD1-N 3.25Å; N165-N167 PolarHBondContact O-N 3.44Å; N165-N167 PolarHBondContact OD1-N 2.96Å; N165-M168 HydrophobicContact CB-CG 3.81Å; N165-M168 HydrophobicContact CB-SD 4.23Å; N165-M168 PolarHBondContact O-N 2.9Å
166V97.8Very high96.3Very high7 Ų752.1 Ų52.14%0.04226%0.26CS..THydrogen-bonded Turntrans-69.6-10.4-179.3-62.90000114.5L144 V160 A164 P178 Y194 A199L144-V166 HydrophobicContact CD1-CG1 4.23Å; V160-V166 HydrophobicContact CB-CG1 4.45Å; V160-V166 HydrophobicContact CG1-CG1 4.12Å; V160-V166 HydrophobicContact CG2-CG1 3.48Å; V160-V166 VanDerWaalsContact CG2-CG1 3.48Å; A164-V166 PolarHBondContact O-N 3.07Å; V166-P178 VanDerWaalsContact O-CD 3.28Å; V166-P178 WeakPolarHBondContact O-CD 3.47Å; V166-P178 WeakPolarHBondContact O-CG 3.5Å; V166-Y194 HydrophobicContact CG1-CD1 4.07Å; V166-Y194 HydrophobicContact CG1-CE1 4.46Å; V166-A199 HydrophobicContact CB-CB 4.45Å; V166-A199 HydrophobicContact CG2-CB 4.14Å
167N97.9Very high96.3Very high48 Ų4852.3 Ų52.326%0.25726%0.261SS..THydrogen-bonded Turntrans-108.18-178.8-67.2-54.6000113.2N165 K169 G198 A199 I200N165-N167 PolarHBondContact O-N 3.44Å; N165-N167 PolarHBondContact OD1-N 2.96Å; N167-K169 PolarHBondContact O-N 3.08Å; N167-G198 PolarHBondContact ND2-O 3.37Å; N167-A199 WeakPolarHBondContact OD1-CA 3.5Å; N167-I200 PolarHBondContact OD1-N 3.04Å
168M97.5Very high96.3Very high27 Ų2750.2 Ų50.213%0.13325%0.252CS..  trans-67.1115.9175.3-81-171.169.100110.5N134 Y136 T142 H145 N165 P178N134-M168 HydrophobicContact CB-CE 4.46Å; N134-M168 HydrophobicContact CB-SD 3.49Å; N134-M168 WeakPolarHBondContact CB-SD 3.35Å; Y136-M168 HydrophobicContact CD1-CE 4.42Å; Y136-M168 HydrophobicContact CE1-CE 3.71Å; Y136-M168 HydrophobicContact CE2-CE 3.85Å; Y136-M168 VanDerWaalsContact OH-CE 3.32Å; Y136-M168 WeakPolarHBondContact OH-CE 3.47Å; T142-M168 HydrophobicContact CG2-CB 4Å; T142-M168 HydrophobicContact CG2-CE 3.62Å; T142-M168 HydrophobicContact CG2-SD 3.98Å; H145-M168 PolarHBondContact CE1-O 3.44Å; H145-M168 PolarHBondContact NE2-O 3.06Å; N165-M168 HydrophobicContact CB-CG 3.81Å; N165-M168 HydrophobicContact CB-SD 4.23Å; N165-M168 PolarHBondContact O-N 2.9Å; M168-P178 VanDerWaalsContact O-CD 3.29Å; M168-P178 WeakPolarHBondContact O-CD 3.34Å
169K97.1Very high96.4Very high68 Ų6848.8 Ų48.830%0.29625%0.245SC..  trans-68.1150.4169.6-69.8178.8155-155.20111.2Y136 N167 E175 E176 T177 V204Y136-K169 VanDerWaalsContact CE1-O 3.22Å; Y136-K169 WeakPolarHBondContact CE1-O 3.21Å; Y136-K169 PolarHBondContact OH-O 3.16Å; N167-K169 PolarHBondContact O-N 3.08Å; K169-E175 HydrophobicContact CD-CB 4.29Å; K169-E175 WeakPolarHBondContact CG-O 3.36Å; K169-E175 IonicContact NZ-OE2 3.26Å; K169-E175 PolarHBondContact NZ-OE2 3.37Å; K169-E176 CarbonylContact C-O 3.14Å; K169-E176 WeakPolarHBondContact CA-O 3Å; K169-T177 HydrophobicContact CG-CG2 3.79Å; K169-V204 WeakPolarHBondContact CE-O 3.37Å; K169-V204 PolarHBondContact NZ-O 3.49Å
170T96.6Very high96.4Very high5 Ų548.8 Ų48.83%0.03125%0.245CC..  trans-60.5145.316854.90000110.2G140 H145 N172 E175 E176G140-T170 CarbonylContact O-C 2.94Å; G140-T170 WeakPolarHBondContact O-CA 3.24Å; G140-T170 WeakPolarHBondContact O-CB 3.27Å; H145-T170 VanDerWaalsContact CD2-CG2 3.48Å; H145-T170 WeakPolarHBondContact CD2-CG2 3.49Å; H145-T170 WeakPolarHBondContact NE2-CG2 3.32Å; T170-N172 VanDerWaalsContact C-N 3.26Å; T170-N172 VanDerWaalsContact CB-OD1 3.26Å; T170-N172 WeakPolarHBondContact CB-OD1 3.44Å; T170-N172 PolarHBondContact O-N 3.2Å; T170-N172 PolarHBondContact OG1-OD1 2.91Å; T170-E175 VanDerWaalsContact OG1-CA 3.31Å; T170-E175 WeakPolarHBondContact OG1-CA 3.27Å; T170-E175 PolarHBondContact OG1-N 3.08Å; T170-E176 HydrophobicContact CG2-CB 4.35Å; T170-E176 PolarHBondContact N-O 2.87Å; T170-E176 PolarHBondContact OG1-N 3.3Å
171N94.4Very high96.4Very high116 Ų11648.3 Ų48.362%0.6224%0.243SC*.SBendtrans-94.653.7172.9-172.524.9000110.2Y136 G140Y136-N171 HydrophobicContact CD1-CB 3.93Å; Y136-N171 HydrophobicContact CD2-CB 4.02Å; Y136-N171 HydrophobicContact CE1-CB 3.9Å; Y136-N171 HydrophobicContact CE2-CB 3.95Å; Y136-N171 HydrophobicContact CG-CB 4.04Å; G140-N171 PolarHBondContact O-N 3.26Å
172N91.6Very high96.4Very high27 Ų2740.6 Ų40.614%0.14421%0.214CC..SBendtrans-134.6-169.2175.672.7-10.5000109.5S139 H141 T170 D174 E175S139-N172 WeakPolarHBondContact O-CB 3.26Å; H141-N172 PolarHBondContact CE1-ND2 3.15Å; T170-N172 VanDerWaalsContact C-N 3.26Å; T170-N172 VanDerWaalsContact CB-OD1 3.26Å; T170-N172 WeakPolarHBondContact CB-OD1 3.44Å; T170-N172 PolarHBondContact O-N 3.2Å; T170-N172 PolarHBondContact OG1-OD1 2.91Å; N172-D174 PolarHBondContact ND2-OD2 3.1Å; N172-D174 PolarHBondContact O-N 3.4Å; N172-D174 PolarHBondContact OD1-N 2.95Å; N172-D174 VanDerWaalsContact OD1-N 3.11Å; N172-E175 PolarHBondContact OD1-N 3.09Å
173Q90.6Very high96.5Very high139 Ų13935.4 Ų35.465%0.6519%0.191SC*.SBendtrans-69.5-19.2-178-69179.3-26.400113.5A206Q173-A206 WeakPolarHBondContact O-CB 3.45Å
174D91.9Very high96.6Very high41 Ų4135.2 Ų35.222%0.21918%0.177CC..SBendtrans-89.5-26.7-173.3-46.2-51.2000111.8N172 E176 N205 A206N172-D174 PolarHBondContact ND2-OD2 3.1Å; N172-D174 PolarHBondContact O-N 3.4Å; N172-D174 PolarHBondContact OD1-N 2.95Å; N172-D174 VanDerWaalsContact OD1-N 3.11Å; D174-E176 HydrophobicContact CB-CG 3.94Å; D174-E176 PolarHBondContact O-N 3.08Å; D174-N205 VanDerWaalsContact O-CB 3.28Å; D174-N205 WeakPolarHBondContact O-CB 3.48Å; D174-A206 WeakPolarHBondContact O-CB 3.29Å; D174-A206 PolarHBondContact O-N 3.12Å
175E95.9Very high96.5Very high88 Ų8839.3 Ų39.341%0.41119%0.193SC..  trans49.436.7-177.7-61.4-171.1-172.200115.1K169 T170 N172 A206K169-E175 HydrophobicContact CD-CB 4.29Å; K169-E175 WeakPolarHBondContact CG-O 3.36Å; K169-E175 IonicContact NZ-OE2 3.26Å; K169-E175 PolarHBondContact NZ-OE2 3.37Å; T170-E175 VanDerWaalsContact OG1-CA 3.31Å; T170-E175 WeakPolarHBondContact OG1-CA 3.27Å; T170-E175 PolarHBondContact OG1-N 3.08Å; N172-E175 PolarHBondContact OD1-N 3.09Å; E175-A206 HydrophobicContact CB-CB 4.01Å; E175-A206 HydrophobicContact CG-CB 4.04Å
176E96.9Very high96.5Very high36 Ų3636.1 Ų36.117%0.16818%0.177CC..  trans-73.4146.1-178.3-69.4-168.2155.700112.3H145 K169 T170 D174 H180 N205H145-E176 PolarHBondContact NE2-O 3.24Å; K169-E176 CarbonylContact C-O 3.14Å; K169-E176 WeakPolarHBondContact CA-O 3Å; T170-E176 HydrophobicContact CG2-CB 4.35Å; T170-E176 PolarHBondContact N-O 2.87Å; T170-E176 PolarHBondContact OG1-N 3.3Å; D174-E176 HydrophobicContact CB-CG 3.94Å; D174-E176 PolarHBondContact O-N 3.08Å; E176-H180 HydrophobicContact CB-CB 3.98Å; E176-H180 HydrophobicContact CG-CB 4.19Å; E176-N205 HydrophobicContact CG-CB 4.23Å
177T98.1Very high96.5Very high4 Ų436.3 Ų36.33%0.02518%0.178CC..  trans-92.2163.7168.867.90000110.5K169 L179 H180 T181 S203K169-T177 HydrophobicContact CG-CG2 3.79Å; T177-L179 PolarHBondContact O-N 3.34Å; T177-H180 PolarHBondContact N-ND1 3Å; T177-H180 WeakPolarHBondContact O-CA 3.33Å; T177-H180 WeakPolarHBondContact O-CB 3.49Å; T177-H180 PolarHBondContact O-N 3.14Å; T177-H180 PolarHBondContact OG1-ND1 3.44Å; T177-T181 PolarHBondContact O-N 2.59Å; T177-S203 PolarHBondContact OG1-OG 3.1Å
178P98Very high96.5Very high1 Ų135 Ų351%0.00617%0.172CC..Hα-helixtrans-53.3-30.2172.8-29.435.1000113.7L144 H145 V166 M168 T181 A182 Y194L144-P178 HydrophobicContact CB-CB 4.03Å; L144-P178 HydrophobicContact CB-CG 3.87Å; L144-P178 HydrophobicContact CD1-CG 4.15Å; H145-P178 WeakPolarHBondContact NE2-CD 3.13Å; V166-P178 VanDerWaalsContact O-CD 3.28Å; V166-P178 WeakPolarHBondContact O-CD 3.47Å; V166-P178 WeakPolarHBondContact O-CG 3.5Å; M168-P178 VanDerWaalsContact O-CD 3.29Å; M168-P178 WeakPolarHBondContact O-CD 3.34Å; P178-T181 PolarHBondContact O-N 3.36Å; P178-A182 WeakPolarHBondContact O-CB 3.44Å; P178-A182 PolarHBondContact O-N 3.03Å; P178-Y194 HydrophobicContact CB-CD2 4.2Å; P178-Y194 HydrophobicContact CB-CE2 3.65Å
179L98.4Very high96.5Very high1 Ų138.4 Ų38.41%0.00519%0.188CC..Hα-helixtrans-68.9-37.2175.7-172.561.7000112.4T177 A182 A183 V191 V195 A199 P211T177-L179 PolarHBondContact O-N 3.34Å; L179-A182 PolarHBondContact O-N 3.26Å; L179-A183 VanDerWaalsContact O-CB 3.28Å; L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 3.47Å; L179-V191 HydrophobicContact CD1-CB 4.35Å; L179-V191 HydrophobicContact CD1-CG1 4.09Å; L179-V191 HydrophobicContact CD1-CG2 4.19Å; L179-V195 HydrophobicContact CD1-CG2 4.12Å; L179-V195 HydrophobicContact CD2-CG2 4.2Å; L179-A199 HydrophobicContact CB-CB 4.46Å; L179-A199 HydrophobicContact CD2-CB 4.18Å; L179-P211 HydrophobicContact CB-CG 4.31Å; L179-P211 HydrophobicContact CD2-CB 4.31Å; L179-P211 HydrophobicContact CD2-CG 3.88Å; L179-P211 HydrophobicContact CG-CB 3.99Å; L179-P211 HydrophobicContact CG-CG 3.82Å
180H98.4Very high96.5Very high0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-62-45.5171.9-67.891.6000110.8E176 T177 A182 A183 H184 S203 E209 I214E176-H180 HydrophobicContact CB-CB 3.98Å; E176-H180 HydrophobicContact CG-CB 4.19Å; T177-H180 PolarHBondContact N-ND1 3Å; T177-H180 WeakPolarHBondContact O-CA 3.33Å; T177-H180 WeakPolarHBondContact O-CB 3.49Å; T177-H180 PolarHBondContact O-N 3.14Å; T177-H180 PolarHBondContact OG1-ND1 3.44Å; H180-A182 PolarHBondContact O-N 3.22Å; H180-A183 WeakPolarHBondContact O-CB 3.41Å; H180-A183 PolarHBondContact O-N 3.06Å; H180-H184 WeakPolarHBondContact O-CB 3.28Å; H180-H184 PolarHBondContact O-N 2.93Å; H180-S203 PolarHBondContact CE1-O 3.25Å; H180-S203 PolarHBondContact CE1-OG 3.17Å; H180-S203 PolarHBondContact NE2-O 3.18Å; H180-S203 VanDerWaalsContact NE2-O 3.09Å; H180-E209 PolarHBondContact NE2-O 2.76Å; H180-I214 HydrophobicContact CB-CD1 3.94Å; H180-I214 VanDerWaalsContact CD2-CD1 3.46Å; H180-I214 WeakPolarHBondContact CD2-CD1 3.19Å
181T97.7Very high96.6Very high7 Ų735 Ų354%0.04317%0.173CC..Hα-helixtrans-61.6-45.8177-50.30000111.5H145 T148 T177 P178 A183 H184 F185H145-T181 PolarHBondContact CD2-OG1 3.31Å; T148-T181 HydrophobicContact CG2-CG2 3.99Å; T177-T181 PolarHBondContact O-N 2.59Å; P178-T181 PolarHBondContact O-N 3.36Å; T181-A183 VanDerWaalsContact C-N 3.29Å; T181-A183 PolarHBondContact O-N 2.69Å; T181-H184 WeakPolarHBondContact O-CB 3.45Å; T181-H184 PolarHBondContact O-N 3.16Å; T181-F185 HydrophobicContact CG2-CD2 3.85Å; T181-F185 HydrophobicContact CG2-CE2 3.82Å; T181-F185 VanDerWaalsContact O-CD2 3.25Å; T181-F185 WeakPolarHBondContact O-CD2 3.43Å; T181-F185 PolarHBondContact O-N 2.88Å; T181-F185 VanDerWaalsContact O-N 3.13Å
182A98.1Very high96.7Very high1 Ų130.2 Ų30.21%0.00815%0.15CC..Hα-helixtrans-60.7-39.2176.400000112.2P178 L179 H180 G186 L187 L190 V191 Y194P178-A182 WeakPolarHBondContact O-CB 3.44Å; P178-A182 PolarHBondContact O-N 3.03Å; L179-A182 PolarHBondContact O-N 3.26Å; H180-A182 PolarHBondContact O-N 3.22Å; A182-G186 PolarHBondContact O-N 3.37Å; A182-G186 VanDerWaalsContact O-N 3.15Å; A182-L187 PolarHBondContact O-N 3.39Å; A182-L190 HydrophobicContact CB-CB 4.28Å; A182-L190 HydrophobicContact CB-CD2 3.97Å; A182-L190 HydrophobicContact CB-CG 4.09Å; A182-V191 HydrophobicContact CB-CG2 3.78Å; A182-Y194 HydrophobicContact CB-CD2 4.25Å; A182-Y194 HydrophobicContact CB-CE2 4.21Å
183A98.2Very high97Very high0 Ų029.5 Ų29.50%015%0.145CC..Hα-helixtrans-67.3-40.7175.800000113L179 H180 T181 F185 G186 P211 A215 V234L179-A183 VanDerWaalsContact O-CB 3.28Å; L179-A183 WeakPolarHBondContact O-CB 3.35Å; L179-A183 PolarHBondContact O-N 3.47Å; H180-A183 WeakPolarHBondContact O-CB 3.41Å; H180-A183 PolarHBondContact O-N 3.06Å; T181-A183 VanDerWaalsContact C-N 3.29Å; T181-A183 PolarHBondContact O-N 2.69Å; A183-F185 VanDerWaalsContact C-N 3.34Å; A183-F185 PolarHBondContact O-N 3.03Å; A183-G186 PolarHBondContact O-N 3.2Å; A183-P211 HydrophobicContact CB-CB 3.97Å; A183-P211 WeakPolarHBondContact CB-O 3.49Å; A183-A215 HydrophobicContact CB-CB 4.1Å; A183-V234 HydrophobicContact CB-CG1 4.35Å
184H97.3Very high97.4Very high45 Ų4523 Ų2321%0.20812%0.115CC..Hα-helixtrans-60.4-40176.4175.8-78000112.7H180 T181 I214 W218 H231H180-H184 WeakPolarHBondContact O-CB 3.28Å; H180-H184 PolarHBondContact O-N 2.93Å; T181-H184 WeakPolarHBondContact O-CB 3.45Å; T181-H184 PolarHBondContact O-N 3.16Å; H184-I214 HydrophobicContact CB-CG2 3.74Å; H184-W218 AromaticContact CD2-CD1 3.56Å; H184-W218 AromaticContact CD2-CD2 3.92Å; H184-W218 AromaticContact CD2-CE2 3.36Å; H184-W218 AromaticContact CD2-CZ2 3.83Å; H184-W218 AromaticContact CD2-NE1 3.12Å; H184-W218 PolarHBondContact CD2-NE1 3.15Å; H184-W218 AromaticContact NE2-CD2 3.73Å; H184-W218 AromaticContact NE2-CE2 3.2Å; H184-W218 AromaticContact NE2-CH2 3.78Å; H184-W218 AromaticContact NE2-CZ2 3.24Å; H184-W218 WeakPolarHBondContact NE2-CZ2 3.45Å; H184-W218 AromaticContact NE2-NE1 3.53Å; H184-H231 PolarHBondContact O-NE2 3.44Å; H184-H231 VanDerWaalsContact O-NE2 3.13Å
185F96.8Very high97.7Very high94 Ų9422 Ų2241%0.41211%0.11SC..THydrogen-bonded Turntrans-90.6-0.5179.6-70.5-75.2000113.7T148 T181 A183 L187T148-F185 HydrophobicContact CG2-CD2 3.76Å; T148-F185 HydrophobicContact CG2-CE2 3.33Å; T148-F185 HydrophobicContact CG2-CZ 3.83Å; T181-F185 HydrophobicContact CG2-CD2 3.85Å; T181-F185 HydrophobicContact CG2-CE2 3.82Å; T181-F185 VanDerWaalsContact O-CD2 3.25Å; T181-F185 WeakPolarHBondContact O-CD2 3.43Å; T181-F185 PolarHBondContact O-N 2.88Å; T181-F185 VanDerWaalsContact O-N 3.13Å; A183-F185 VanDerWaalsContact C-N 3.34Å; A183-F185 PolarHBondContact O-N 3.03Å; F185-L187 HydrophobicContact CB-CD1 4.28Å; F185-L187 HydrophobicContact CB-CG 4Å
186G96.9Very high97.8Very high4 Ų423.8 Ų23.84%0.04112%0.119CC..THydrogen-bonded Turntrans66.534.8-179.100000113.4A182 A183 S188 E230 H231A182-G186 PolarHBondContact O-N 3.37Å; A182-G186 VanDerWaalsContact O-N 3.15Å; A183-G186 PolarHBondContact O-N 3.2Å; G186-S188 PolarHBondContact O-N 3.45Å; G186-S188 VanDerWaalsContact O-N 3.14Å; G186-E230 VanDerWaalsContact O-CB 3.31Å; G186-E230 WeakPolarHBondContact O-CB 3.41Å; G186-H231 PolarHBondContact N-NE2 2.66Å
187L97.8Very high97.8Very high11 Ų1125.7 Ų25.76%0.05813%0.127CC..  trans-87.279.5-177.6-60.5177.8000111.1P150 A182 F185 E189 L190 V191P150-L187 HydrophobicContact CG-CD2 4.07Å; A182-L187 PolarHBondContact O-N 3.39Å; F185-L187 HydrophobicContact CB-CD1 4.28Å; F185-L187 HydrophobicContact CB-CG 4Å; L187-E189 PolarHBondContact O-N 3.25Å; L187-L190 HydrophobicContact CB-CB 3.81Å; L187-L190 HydrophobicContact CB-CD2 4.46Å; L187-L190 HydrophobicContact CD1-CD2 3.85Å; L187-L190 WeakPolarHBondContact O-CB 3.35Å; L187-L190 PolarHBondContact O-N 3.48Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 2.91Å
188S97.3Very high97.8Very high20 Ų2027.8 Ų27.814%0.1415%0.149CC..Hα-helixtrans-50.6-49.5-176.753.60000114.1G186 L190 V191 A192 E230 M237G186-S188 PolarHBondContact O-N 3.45Å; G186-S188 VanDerWaalsContact O-N 3.14Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 2.91Å; S188-V191 PolarHBondContact O-N 3.04Å; S188-A192 PolarHBondContact O-N 2.88Å; S188-E230 PolarHBondContact OG-OE2 3.37Å; S188-M237 VanDerWaalsContact O-CE 3.26Å; S188-M237 WeakPolarHBondContact O-CE 3.48Å
189E97.6Very high97.8Very high98 Ų9828.1 Ų28.146%0.45815%0.152SC..Hα-helixtrans-61-38.3177.5-178.7-177.7171.700112.5I153 K157 L187 F193I153-E189 HydrophobicContact CD1-CB 4.11Å; I153-E189 HydrophobicContact CD1-CG 4.49Å; I153-E189 HydrophobicContact CG2-CG 4.13Å; K157-E189 IonicContact NZ-OE1 3.27Å; K157-E189 PolarHBondContact NZ-OE1 3.37Å; L187-E189 PolarHBondContact O-N 3.25Å; E189-F193 WeakPolarHBondContact O-CB 3.36Å; E189-F193 PolarHBondContact O-N 3.11Å
190L97.8Very high97.8Very high1 Ų132.8 Ų32.81%0.00518%0.176CC..Hα-helixtrans-72.4-37.1-179.9-169.258.9000111.7C147 I153 A156 A182 L187 S188 F193 Y194C147-L190 HydrophobicContact CB-CD2 4.43Å; I153-L190 HydrophobicContact CG1-CB 4.44Å; A156-L190 HydrophobicContact CB-CD1 3.49Å; A156-L190 VanDerWaalsContact CB-CD1 3.49Å; A182-L190 HydrophobicContact CB-CB 4.28Å; A182-L190 HydrophobicContact CB-CD2 3.97Å; A182-L190 HydrophobicContact CB-CG 4.09Å; L187-L190 HydrophobicContact CB-CB 3.81Å; L187-L190 HydrophobicContact CB-CD2 4.46Å; L187-L190 HydrophobicContact CD1-CD2 3.85Å; L187-L190 WeakPolarHBondContact O-CB 3.35Å; L187-L190 PolarHBondContact O-N 3.48Å; S188-L190 VanDerWaalsContact C-N 3.3Å; S188-L190 PolarHBondContact O-N 2.91Å; L190-F193 PolarHBondContact O-N 3.24Å; L190-Y194 HydrophobicContact CD1-CD1 4.1Å; L190-Y194 HydrophobicContact CD1-CD2 4.37Å; L190-Y194 HydrophobicContact CD1-CE1 3.56Å; L190-Y194 HydrophobicContact CD1-CE2 3.88Å; L190-Y194 HydrophobicContact CD1-CG 4.47Å; L190-Y194 VanDerWaalsContact CD1-CZ 3.44Å; L190-Y194 HydrophobicContact CD2-CE2 3.75Å; L190-Y194 HydrophobicContact CG-CD2 3.95Å; L190-Y194 HydrophobicContact CG-CE1 4.16Å; L190-Y194 HydrophobicContact CG-CE2 3.51Å; L190-Y194 HydrophobicContact CG-CG 4.45Å; L190-Y194 WeakPolarHBondContact O-CB 3.19Å; L190-Y194 PolarHBondContact O-N 2.69Å
191V98.3Very high97.7Very high0 Ų033.7 Ų33.70%018%0.182CC..Hα-helixtrans-60.8-50.4173.8167.80000110.8L179 A182 L187 S188 F193 Y194 V195 V234 L238L179-V191 HydrophobicContact CD1-CB 4.35Å; L179-V191 HydrophobicContact CD1-CG1 4.09Å; L179-V191 HydrophobicContact CD1-CG2 4.19Å; A182-V191 HydrophobicContact CB-CG2 3.78Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 2.91Å; S188-V191 PolarHBondContact O-N 3.04Å; V191-F193 VanDerWaalsContact C-N 3.32Å; V191-F193 PolarHBondContact O-N 3.16Å; V191-Y194 PolarHBondContact O-N 3.12Å; V191-V195 WeakPolarHBondContact O-CG2 3.45Å; V191-V195 PolarHBondContact O-N 3.33Å; V191-V195 VanDerWaalsContact O-N 3.08Å; V191-V234 HydrophobicContact CG1-CG1 4.47Å; V191-V234 HydrophobicContact CG2-CG1 4.02Å; V191-V234 HydrophobicContact CG2-CG2 4.15Å; V191-L238 HydrophobicContact CG1-CD2 3.87Å; V191-L238 HydrophobicContact CG1-CG 4.13Å
192A97.9Very high97.7Very high17 Ų1736.4 Ų36.414%0.1420%0.196CC..Hα-helixtrans-53.8-52.4174.300000111S188 Y194 V195 E196 M237S188-A192 PolarHBondContact O-N 2.88Å; A192-Y194 PolarHBondContact O-N 3.21Å; A192-V195 PolarHBondContact O-N 3.31Å; A192-E196 WeakPolarHBondContact O-CB 3.41Å; A192-E196 VanDerWaalsContact O-CG 3.3Å; A192-E196 WeakPolarHBondContact O-CG 3.37Å; A192-E196 PolarHBondContact O-N 2.96Å; A192-M237 HydrophobicContact CB-CE 3.21Å
193F98.3Very high97.7Very high12 Ų1237 Ų375%0.05320%0.2CC..Hα-helixtrans-61.3-44.6-175.3179.7-100.1000112.3K157 V160 W161 E189 L190 V191 E196 H197K157-F193 HydrophobicContact CB-CE1 4.22Å; K157-F193 HydrophobicContact CB-CE2 4.39Å; K157-F193 HydrophobicContact CB-CZ 4Å; K157-F193 HydrophobicContact CD-CD2 4.46Å; K157-F193 HydrophobicContact CD-CE2 4.47Å; K157-F193 HydrophobicContact CG-CD1 3.99Å; K157-F193 HydrophobicContact CG-CD2 4.01Å; K157-F193 HydrophobicContact CG-CE1 3.84Å; K157-F193 HydrophobicContact CG-CE2 3.83Å; K157-F193 HydrophobicContact CG-CG 4.07Å; K157-F193 HydrophobicContact CG-CZ 3.77Å; V160-F193 HydrophobicContact CB-CE1 3.64Å; V160-F193 HydrophobicContact CB-CZ 3.97Å; V160-F193 HydrophobicContact CG1-CE1 3.87Å; V160-F193 HydrophobicContact CG1-CZ 4.01Å; V160-F193 HydrophobicContact CG2-CE1 3.78Å; W161-F193 HydrophobicContact CZ2-CE2 4.24Å; W161-F193 AromaticContact NE1-CE2 3.81Å; W161-F193 AromaticContact NE1-CZ 3.8Å; E189-F193 WeakPolarHBondContact O-CB 3.36Å; E189-F193 PolarHBondContact O-N 3.11Å; L190-F193 PolarHBondContact O-N 3.24Å; V191-F193 VanDerWaalsContact C-N 3.32Å; V191-F193 PolarHBondContact O-N 3.16Å; F193-E196 PolarHBondContact O-N 3.5Å; F193-H197 AromaticContact CD2-CE1 3.46Å; F193-H197 VanDerWaalsContact CD2-CE1 3.46Å; F193-H197 WeakPolarHBondContact CD2-CE1 3.29Å; F193-H197 AromaticContact CD2-ND1 3.68Å; F193-H197 AromaticContact CE2-CE1 3.07Å; F193-H197 WeakPolarHBondContact CE2-CE1 3.49Å; F193-H197 AromaticContact CE2-ND1 3.56Å; F193-H197 AromaticContact CE2-NE2 3.53Å; F193-H197 AromaticContact CZ-CE1 3.64Å; F193-H197 AromaticContact CZ-ND1 3.85Å; F193-H197 AromaticContact CZ-NE2 3.76Å; F193-H197 PolarHBondContact O-N 3.44Å; F193-H197 VanDerWaalsContact O-N 3.12Å; F193-H197 PolarHBondContact O-ND1 2.99Å
194Y98.4Very high97.7Very high1 Ų139.4 Ų39.40%0.00421%0.214CC..Hα-helixtrans-64.2-43.5178.1-73.8-17.3000112.4L144 A156 V160 V166 P178 A182 L190 V191 A192 H197 G198 A199L144-Y194 HydrophobicContact CD2-CE1 4.2Å; A156-Y194 HydrophobicContact CB-CE1 4.18Å; A156-Y194 WeakPolarHBondContact CB-OH 3.48Å; V160-Y194 HydrophobicContact CG2-CD1 4.27Å; V160-Y194 HydrophobicContact CG2-CE1 3.98Å; V166-Y194 HydrophobicContact CG1-CD1 4.07Å; V166-Y194 HydrophobicContact CG1-CE1 4.46Å; P178-Y194 HydrophobicContact CB-CD2 4.2Å; P178-Y194 HydrophobicContact CB-CE2 3.65Å; A182-Y194 HydrophobicContact CB-CD2 4.25Å; A182-Y194 HydrophobicContact CB-CE2 4.21Å; L190-Y194 HydrophobicContact CD1-CD1 4.1Å; L190-Y194 HydrophobicContact CD1-CD2 4.37Å; L190-Y194 HydrophobicContact CD1-CE1 3.56Å; L190-Y194 HydrophobicContact CD1-CE2 3.88Å; L190-Y194 HydrophobicContact CD1-CG 4.47Å; L190-Y194 VanDerWaalsContact CD1-CZ 3.44Å; L190-Y194 HydrophobicContact CD2-CE2 3.75Å; L190-Y194 HydrophobicContact CG-CD2 3.95Å; L190-Y194 HydrophobicContact CG-CE1 4.16Å; L190-Y194 HydrophobicContact CG-CE2 3.51Å; L190-Y194 HydrophobicContact CG-CG 4.45Å; L190-Y194 WeakPolarHBondContact O-CB 3.19Å; L190-Y194 PolarHBondContact O-N 2.69Å; V191-Y194 PolarHBondContact O-N 3.12Å; A192-Y194 PolarHBondContact O-N 3.21Å; Y194-H197 CarbonylContact O-C 3.45Å; Y194-H197 PolarHBondContact O-N 3.01Å; Y194-H197 VanDerWaalsContact O-N 3.14Å; Y194-G198 PolarHBondContact O-N 3.4Å; Y194-A199 VanDerWaalsContact C-CB 3.45Å; Y194-A199 WeakPolarHBondContact O-CB 3.48Å; Y194-A199 PolarHBondContact O-N 2.86Å
195V98Very high97.6Very high20 Ų2037.4 Ų37.412%0.12121%0.206CC..Hα-helixtrans-63.9-43.4178.1176.50000111.1L179 V191 A192 H197 G198 V201 Y241L179-V195 HydrophobicContact CD1-CG2 4.12Å; L179-V195 HydrophobicContact CD2-CG2 4.2Å; V191-V195 WeakPolarHBondContact O-CG2 3.45Å; V191-V195 PolarHBondContact O-N 3.33Å; V191-V195 VanDerWaalsContact O-N 3.08Å; A192-V195 PolarHBondContact O-N 3.31Å; V195-H197 PolarHBondContact O-N 3.37Å; V195-G198 PolarHBondContact O-N 2.78Å; V195-G198 VanDerWaalsContact O-N 3.1Å; V195-V201 HydrophobicContact CG1-CG2 3.79Å; V195-V201 HydrophobicContact CG2-CG2 3.99Å; V195-Y241 HydrophobicContact CB-CD2 4.21Å; V195-Y241 HydrophobicContact CB-CE2 4.24Å; V195-Y241 HydrophobicContact CB-CG 4.5Å; V195-Y241 HydrophobicContact CG1-CD1 3.75Å; V195-Y241 HydrophobicContact CG1-CD2 3.86Å; V195-Y241 HydrophobicContact CG1-CE1 4.07Å; V195-Y241 HydrophobicContact CG1-CE2 4.17Å; V195-Y241 HydrophobicContact CG1-CG 3.66Å; V195-Y241 HydrophobicContact CG2-CD2 4.34Å
196E97.6Very high97.6Very high127 Ų12734.6 Ų34.659%0.59320%0.2SC*.Hα-helixtrans-59.4-28.2174.5-73.6173.2-178.800113.1A192 F193A192-E196 WeakPolarHBondContact O-CB 3.41Å; A192-E196 VanDerWaalsContact O-CG 3.3Å; A192-E196 WeakPolarHBondContact O-CG 3.37Å; A192-E196 PolarHBondContact O-N 2.96Å; F193-E196 PolarHBondContact O-N 3.5Å
197H97.9Very high97.6Very high76 Ų7638.5 Ų38.535%0.35222%0.216SC..THydrogen-bonded Turntrans-100.223.5179.4-65.370.1000112.9V160 W161 F193 Y194 V195V160-H197 HydrophobicContact CG1-CB 3.75Å; W161-H197 AromaticContact NE1-NE2 3.73Å; F193-H197 AromaticContact CD2-CE1 3.46Å; F193-H197 VanDerWaalsContact CD2-CE1 3.46Å; F193-H197 WeakPolarHBondContact CD2-CE1 3.29Å; F193-H197 AromaticContact CD2-ND1 3.68Å; F193-H197 AromaticContact CE2-CE1 3.07Å; F193-H197 WeakPolarHBondContact CE2-CE1 3.49Å; F193-H197 AromaticContact CE2-ND1 3.56Å; F193-H197 AromaticContact CE2-NE2 3.53Å; F193-H197 AromaticContact CZ-CE1 3.64Å; F193-H197 AromaticContact CZ-ND1 3.85Å; F193-H197 AromaticContact CZ-NE2 3.76Å; F193-H197 PolarHBondContact O-N 3.44Å; F193-H197 VanDerWaalsContact O-N 3.12Å; F193-H197 PolarHBondContact O-ND1 2.99Å; Y194-H197 CarbonylContact O-C 3.45Å; Y194-H197 PolarHBondContact O-N 3.01Å; Y194-H197 VanDerWaalsContact O-N 3.14Å; V195-H197 PolarHBondContact O-N 3.37Å
198G96.9Very high97.6Very high47 Ų4742.3 Ų42.349%0.48524%0.235SC..THydrogen-bonded Turntrans87.220.7168.900000115.2N167 Y194 V195N167-G198 PolarHBondContact ND2-O 3.37Å; Y194-G198 PolarHBondContact O-N 3.4Å; V195-G198 PolarHBondContact O-N 2.78Å; V195-G198 VanDerWaalsContact O-N 3.1Å
199A98.1Very high97.6Very high8 Ų843 Ų437%0.06624%0.236CC..  trans-65.613516800000110.8V166 N167 L179 Y194 V201V166-A199 HydrophobicContact CB-CB 4.45Å; V166-A199 HydrophobicContact CG2-CB 4.14Å; N167-A199 WeakPolarHBondContact OD1-CA 3.5Å; L179-A199 HydrophobicContact CB-CB 4.46Å; L179-A199 HydrophobicContact CD2-CB 4.18Å; Y194-A199 VanDerWaalsContact C-CB 3.45Å; Y194-A199 WeakPolarHBondContact O-CB 3.48Å; Y194-A199 PolarHBondContact O-N 2.86Å; A199-V201 PolarHBondContact O-N 3.24Å
200I98.2Very high97.6Very high99 Ų9938.5 Ų38.551%0.50822%0.215SC..  trans-77.5108.9179.5-58.7164.4000108.3N167 D202 S203N167-I200 PolarHBondContact OD1-N 3.04Å; I200-D202 VanDerWaalsContact C-N 3.3Å; I200-D202 PolarHBondContact O-N 2.88Å; I200-S203 WeakPolarHBondContact O-CB 3.42Å; I200-S203 PolarHBondContact O-N 2.96Å; I200-S203 VanDerWaalsContact O-N 3.1Å; I200-S203 PolarHBondContact O-OG 2.84Å
201V97.7Very high97.6Very high20 Ų2038.5 Ų38.512%0.12122%0.215CC..THydrogen-bonded Turntrans-55.9-43.5-175179.20000112.2V195 A199 P211 L238 A243V195-V201 HydrophobicContact CG1-CG2 3.79Å; V195-V201 HydrophobicContact CG2-CG2 3.99Å; A199-V201 PolarHBondContact O-N 3.24Å; V201-P211 WeakPolarHBondContact O-CD 3.18Å; V201-P211 WeakPolarHBondContact O-CG 3.37Å; V201-L238 HydrophobicContact CG1-CD2 4.09Å; V201-A243 HydrophobicContact CG1-CB 3.53Å
202D97.6Very high97.6Very high63 Ų6338.5 Ų38.534%0.33722%0.215SC..THydrogen-bonded Turntrans-9826.2-178.9-59.3-49.8000112.8I200 V204 A243 E244I200-D202 VanDerWaalsContact C-N 3.3Å; I200-D202 PolarHBondContact O-N 2.88Å; D202-V204 PolarHBondContact O-N 3.41Å; D202-A243 WeakPolarHBondContact OD1-CA 3.2Å; D202-E244 PolarHBondContact OD1-N 3.31Å
203S97.3Very high97.6Very high14 Ų1437.9 Ų37.910%0.09821%0.21CC..  trans-57.9137.5171.366.90000109.3T177 H180 I200 P211T177-S203 PolarHBondContact OG1-OG 3.1Å; H180-S203 PolarHBondContact CE1-O 3.25Å; H180-S203 PolarHBondContact CE1-OG 3.17Å; H180-S203 PolarHBondContact NE2-O 3.18Å; H180-S203 VanDerWaalsContact NE2-O 3.09Å; I200-S203 WeakPolarHBondContact O-CB 3.42Å; I200-S203 PolarHBondContact O-N 2.96Å; I200-S203 VanDerWaalsContact O-N 3.1Å; I200-S203 PolarHBondContact O-OG 2.84Å; S203-P211 VanDerWaalsContact O-CD 3.28Å; S203-P211 WeakPolarHBondContact O-CD 3.44Å
204V97.3Very high97.6Very high50 Ų5037.5 Ų37.530%0.30321%0.209SC..  trans-106.1139.4177.3-65.90000111.2K169 D202 M208 E209 T210K169-V204 WeakPolarHBondContact CE-O 3.37Å; K169-V204 PolarHBondContact NZ-O 3.49Å; D202-V204 PolarHBondContact O-N 3.41Å; V204-M208 HydrophobicContact CG2-SD 4.15Å; V204-E209 WeakPolarHBondContact CA-O 3.31Å; V204-T210 HydrophobicContact CG1-CG2 4.12Å
205N96.8Very high97.6Very high4 Ų437.4 Ų37.42%0.02121%0.208CC..  trans-80.1-172.717178.1-3000110.9D174 E176 H207 M208 E209D174-N205 VanDerWaalsContact O-CB 3.28Å; D174-N205 WeakPolarHBondContact O-CB 3.48Å; E176-N205 HydrophobicContact CG-CB 4.23Å; N205-H207 PolarHBondContact O-N 3.13Å; N205-H207 WeakPolarHBondContact OD1-CA 3.31Å; N205-H207 WeakPolarHBondContact OD1-CB 3.5Å; N205-H207 PolarHBondContact OD1-N 3.02Å; N205-M208 PolarHBondContact O-N 3.09Å; N205-M208 PolarHBondContact OD1-N 3.16Å; N205-E209 PolarHBondContact N-O 3.31Å; N205-E209 VanDerWaalsContact N-O 3.12Å; N205-E209 WeakPolarHBondContact OD1-CB 3.27Å; N205-E209 PolarHBondContact OD1-N 2.91Å
206A96.9Very high97.6Very high35 Ų3536.5 Ų36.529%0.28920%0.203SC..THydrogen-bonded Turntrans-65-20-179.700000113.8Q173 D174 E175Q173-A206 WeakPolarHBondContact O-CB 3.45Å; D174-A206 WeakPolarHBondContact O-CB 3.29Å; D174-A206 PolarHBondContact O-N 3.12Å; E175-A206 HydrophobicContact CB-CB 4.01Å; E175-A206 HydrophobicContact CG-CB 4.04Å
207H96.3Very high97.5Very high85 Ų8534 Ų3439%0.39419%0.189SC..THydrogen-bonded Turntrans-96.611178.7-60.5-51.6000113.3N205 E209 D249 D250N205-H207 PolarHBondContact O-N 3.13Å; N205-H207 WeakPolarHBondContact OD1-CA 3.31Å; N205-H207 WeakPolarHBondContact OD1-CB 3.5Å; N205-H207 PolarHBondContact OD1-N 3.02Å; H207-E209 HydrophobicContact CB-CG 4.12Å; H207-E209 PolarHBondContact O-N 3.28Å; H207-E209 VanDerWaalsContact O-N 3.16Å; H207-D249 WeakPolarHBondContact O-CB 3.29Å; H207-D250 WeakPolarHBondContact CA-OD2 3.19Å; H207-D250 PolarHBondContact O-N 3.08Å
208M97.4Very high97.5Very high91 Ų9135.5 Ų35.545%0.44819%0.191SC..SBendtrans60.618.9-174.2-60.9-74-73.500113.7V204 N205 D250V204-M208 HydrophobicContact CG2-SD 4.15Å; N205-M208 PolarHBondContact O-N 3.09Å; N205-M208 PolarHBondContact OD1-N 3.16Å; M208-D250 WeakPolarHBondContact CG-OD1 3.41Å
209E97.2Very high97.4Very high36 Ų3633.2 Ų33.217%0.16817%0.168CC..  trans-82.3139.1176.3-62.1-175.713000110.3H180 V204 N205 H207 I214 D249 K258H180-E209 PolarHBondContact NE2-O 2.76Å; V204-E209 WeakPolarHBondContact CA-O 3.31Å; N205-E209 PolarHBondContact N-O 3.31Å; N205-E209 VanDerWaalsContact N-O 3.12Å; N205-E209 WeakPolarHBondContact OD1-CB 3.27Å; N205-E209 PolarHBondContact OD1-N 2.91Å; H207-E209 HydrophobicContact CB-CG 4.12Å; H207-E209 PolarHBondContact O-N 3.28Å; H207-E209 VanDerWaalsContact O-N 3.16Å; E209-I214 HydrophobicContact CB-CG1 4.17Å; E209-D249 HydrophobicContact CG-CB 3.74Å; E209-K258 IonicContact OE1-NZ 3.73Å; E209-K258 PolarHBondContact OE1-NZ 3.36Å
210T98.1Very high97.3Very high3 Ų333 Ų332%0.01817%0.165CC..  trans-92.7160.8171.863.50000110.7V204 L212 A213 I214 A247V204-T210 HydrophobicContact CG1-CG2 4.12Å; T210-L212 PolarHBondContact O-N 2.92Å; T210-L212 VanDerWaalsContact O-N 3.15Å; T210-A213 WeakPolarHBondContact O-CB 3.12Å; T210-A213 PolarHBondContact O-N 2.58Å; T210-A213 PolarHBondContact OG1-N 3.03Å; T210-I214 PolarHBondContact O-N 3.13Å; T210-A247 HydrophobicContact CG2-CB 3.66Å
211P98.3Very high96.9Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-53.8-34.7173.3-27.834.9000113.2L179 A183 V201 S203 I214 A215 L238L179-P211 HydrophobicContact CB-CG 4.31Å; L179-P211 HydrophobicContact CD2-CB 4.31Å; L179-P211 HydrophobicContact CD2-CG 3.88Å; L179-P211 HydrophobicContact CG-CB 3.99Å; L179-P211 HydrophobicContact CG-CG 3.82Å; A183-P211 HydrophobicContact CB-CB 3.97Å; A183-P211 WeakPolarHBondContact CB-O 3.49Å; V201-P211 WeakPolarHBondContact O-CD 3.18Å; V201-P211 WeakPolarHBondContact O-CG 3.37Å; S203-P211 VanDerWaalsContact O-CD 3.28Å; S203-P211 WeakPolarHBondContact O-CD 3.44Å; P211-I214 PolarHBondContact O-N 3.41Å; P211-A215 WeakPolarHBondContact O-CB 3.44Å; P211-A215 PolarHBondContact O-N 2.74Å; P211-L238 HydrophobicContact CB-CD1 4.18Å
212L98.5Very high96.3Very high1 Ų137 Ų371%0.00517%0.174CC..Hα-helixtrans-64.2-43.7175.7177.864.7000111.9T210 A216 C235 L238 L239 A243 V245 P255T210-L212 PolarHBondContact O-N 2.92Å; T210-L212 VanDerWaalsContact O-N 3.15Å; L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 2.79Å; L212-C235 HydrophobicContact CD1-CB 4.04Å; L212-L238 HydrophobicContact CB-CD1 4.17Å; L212-L238 HydrophobicContact CD1-CB 4.21Å; L212-L238 HydrophobicContact CD1-CD1 4.46Å; L212-L239 HydrophobicContact CD1-CD2 4.32Å; L212-L239 HydrophobicContact CD1-CG 4.16Å; L212-L239 HydrophobicContact CD2-CD2 3.67Å; L212-L239 HydrophobicContact CD2-CG 4.4Å; L212-A243 HydrophobicContact CB-CB 4.38Å; L212-A243 HydrophobicContact CD2-CB 4.07Å; L212-V245 HydrophobicContact CD2-CG2 4.49Å; L212-P255 HydrophobicContact CD2-CB 4.23Å; L212-P255 HydrophobicContact CD2-CG 3.97Å; L212-P255 HydrophobicContact CG-CB 4.14Å; L212-P255 HydrophobicContact CG-CG 4.09Å
213A97.9Very high95.8Very high4 Ų443.2 Ų43.23%0.03320%0.198CC..Hα-helixtrans-65.5-40.6177.700000111.8T210 A216 Y217 P255T210-A213 WeakPolarHBondContact O-CB 3.12Å; T210-A213 PolarHBondContact O-N 2.58Å; T210-A213 PolarHBondContact OG1-N 3.03Å; A213-A216 PolarHBondContact O-N 3.09Å; A213-Y217 PolarHBondContact O-N 3.11Å; A213-P255 HydrophobicContact CB-CG 4.17Å
214I97.7Very high95.3Very high3 Ų347.7 Ų47.72%0.01522%0.218CC..Hα-helixtrans-62.7-51.9175.7-66.4-168.2000110.7H180 H184 E209 T210 P211 A216 Y217 W218H180-I214 HydrophobicContact CB-CD1 3.94Å; H180-I214 VanDerWaalsContact CD2-CD1 3.46Å; H180-I214 WeakPolarHBondContact CD2-CD1 3.19Å; H184-I214 HydrophobicContact CB-CG2 3.74Å; E209-I214 HydrophobicContact CB-CG1 4.17Å; T210-I214 PolarHBondContact O-N 3.13Å; P211-I214 PolarHBondContact O-N 3.41Å; I214-A216 PolarHBondContact O-N 2.99Å; I214-Y217 PolarHBondContact O-N 3.23Å; I214-Y217 VanDerWaalsContact O-N 3.1Å; I214-W218 VanDerWaalsContact O-CD1 3.26Å; I214-W218 PolarHBondContact O-N 3.18Å
215A98.1Very high94.8Very high0 Ų047.7 Ų47.70%021%0.214CC..Hα-helixtrans-56.9-39.9179.200000111.9A183 P211 A219 H231 V234A183-A215 HydrophobicContact CB-CB 4.1Å; P211-A215 WeakPolarHBondContact O-CB 3.44Å; P211-A215 PolarHBondContact O-N 2.74Å; A215-A219 PolarHBondContact O-N 3.36Å; A215-H231 PolarHBondContact O-CD2 3.23Å; A215-V234 HydrophobicContact CB-CB 4.43Å; A215-V234 HydrophobicContact CB-CG1 3.66Å
216A97.9Very high94.6Very high0 Ų053.6 Ų53.60%024%0.242CC..Hα-helixtrans-67.2-37.4178.400000113.2L212 A213 I214 K258 N262 L267 M271L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 2.79Å; A213-A216 PolarHBondContact O-N 3.09Å; I214-A216 PolarHBondContact O-N 2.99Å; A216-K258 HydrophobicContact CB-CB 4.12Å; A216-N262 PolarHBondContact O-ND2 2.88Å; A216-L267 HydrophobicContact CB-CD1 4.23Å; A216-M271 HydrophobicContact CB-CE 3.33Å
217Y96.6Very high94.4Very high76 Ų7654.6 Ų54.630%0.29824%0.238SC..Hα-helixtrans-68.4-44.4177.7-178.8-101.8000112A213 I214 A219 K258 N262A213-Y217 PolarHBondContact O-N 3.11Å; I214-Y217 PolarHBondContact O-N 3.23Å; I214-Y217 VanDerWaalsContact O-N 3.1Å; Y217-A219 VanDerWaalsContact C-N 3.28Å; Y217-A219 PolarHBondContact O-N 2.93Å; Y217-K258 HydrophobicContact CD2-CD 4Å; Y217-K258 HydrophobicContact CG-CD 4.44Å; Y217-N262 PolarHBondContact O-ND2 3.03Å
218W96.4Very high94.3Very high106 Ų10650.9 Ų50.940%0.40222%0.222SC..Hα-helixtrans-81.9-1.2-176.7-70.4101.9000114.7H184 I214 L220H184-W218 AromaticContact CD2-CD1 3.56Å; H184-W218 AromaticContact CD2-CD2 3.92Å; H184-W218 AromaticContact CD2-CE2 3.36Å; H184-W218 AromaticContact CD2-CZ2 3.83Å; H184-W218 AromaticContact CD2-NE1 3.12Å; H184-W218 PolarHBondContact CD2-NE1 3.15Å; H184-W218 AromaticContact NE2-CD2 3.73Å; H184-W218 AromaticContact NE2-CE2 3.2Å; H184-W218 AromaticContact NE2-CH2 3.78Å; H184-W218 AromaticContact NE2-CZ2 3.24Å; H184-W218 WeakPolarHBondContact NE2-CZ2 3.45Å; H184-W218 AromaticContact NE2-NE1 3.53Å; I214-W218 VanDerWaalsContact O-CD1 3.26Å; I214-W218 PolarHBondContact O-N 3.18Å; W218-L220 VanDerWaalsContact C-N 3.25Å; W218-L220 PolarHBondContact O-N 3.06Å
219A96.1Very high94.1Very high0 Ų051.3 Ų51.30%023%0.23CC..THydrogen-bonded Turntrans-61.8-28.6178.800000114.4A215 Y217 Y227 S228 H231 L267A215-A219 PolarHBondContact O-N 3.36Å; Y217-A219 VanDerWaalsContact C-N 3.28Å; Y217-A219 PolarHBondContact O-N 2.93Å; A219-Y227 WeakPolarHBondContact O-CA 3.31Å; A219-S228 PolarHBondContact O-N 3.14Å; A219-H231 HydrophobicContact CB-CB 3.68Å; A219-L267 HydrophobicContact CB-CD1 3.54Å
220L94.5Very high94Very high3 Ų353.4 Ų53.42%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-96118.6176.7177.264.2000110.8W218 F222 Y227 N262 R299W218-L220 VanDerWaalsContact C-N 3.25Å; W218-L220 PolarHBondContact O-N 3.06Å; L220-F222 HydrophobicContact CD2-CD1 3.97Å; L220-F222 HydrophobicContact CD2-CE1 3.86Å; L220-F222 HydrophobicContact CG-CD1 4.32Å; L220-F222 HydrophobicContact CG-CE1 4.4Å; L220-F222 PolarHBondContact O-N 2.79Å; L220-Y227 HydrophobicContact CB-CD1 4.3Å; L220-Y227 HydrophobicContact CB-CE1 4.34Å; L220-Y227 HydrophobicContact CD1-CD1 3.95Å; L220-Y227 HydrophobicContact CD1-CE1 3.8Å; L220-Y227 HydrophobicContact CG-CE1 4.49Å; L220-N262 HydrophobicContact CB-CB 3.96Å; L220-N262 HydrophobicContact CD2-CB 4.22Å; L220-R299 VanDerWaalsContact CD2-NE 3.29Å
221R90.9Very high94Very high131 Ų13153.9 Ų53.949%0.49424%0.241SC..EExtended strand (participates in β ladder)trans-81.2101.6170.7-52.9-175.2-162.7-117.4-3.9109.4K223 E224 Q225 E226 S228R221-K223 PolarHBondContact O-N 2.91Å; R221-K223 VanDerWaalsContact O-N 3.15Å; R221-E224 HydrophobicContact CB-CB 4.47Å; R221-E224 WeakPolarHBondContact CB-OE2 3.35Å; R221-E224 PolarHBondContact O-N 3.2Å; R221-Q225 WeakPolarHBondContact O-CA 3.41Å; R221-Q225 PolarHBondContact O-N 3.04Å; R221-E226 PolarHBondContact N-O 3.34Å; R221-S228 PolarHBondContact NH2-OG 2.65Å
222F85.3Confident94Very high73 Ų7355.2 Ų55.232%0.3225%0.248SC..THydrogen-bonded Turntrans-59.8-28.3-171-65.3-70.9000115.1L220 Q225L220-F222 HydrophobicContact CD2-CD1 3.97Å; L220-F222 HydrophobicContact CD2-CE1 3.86Å; L220-F222 HydrophobicContact CG-CD1 4.32Å; L220-F222 HydrophobicContact CG-CE1 4.4Å; L220-F222 PolarHBondContact O-N 2.79Å; F222-Q225 PolarHBondContact O-NE2 3.44Å
223K85.8Confident94Very high193 Ų19359 Ų5984%0.83927%0.267SS*.THydrogen-bonded Turntrans-74.9-42.2-179.3-67.9178.9-179.1176.20111.3R221R221-K223 PolarHBondContact O-N 2.91Å; R221-K223 VanDerWaalsContact O-N 3.15Å
224E87.8Confident94Very high108 Ų10858.8 Ų58.851%0.50527%0.266SS..THydrogen-bonded Turntrans-88-18.5-177.2-59.576-164.200112.4R221 E226R221-E224 HydrophobicContact CB-CB 4.47Å; R221-E224 WeakPolarHBondContact CB-OE2 3.35Å; R221-E224 PolarHBondContact O-N 3.2Å; E224-E226 HydrophobicContact CB-CB 4.35Å; E224-E226 HydrophobicContact CB-CG 4.29Å; E224-E226 PolarHBondContact O-N 2.7Å
225Q87.2Confident94Very high50 Ų5058.7 Ų58.723%0.23427%0.265CS..THydrogen-bonded Turntrans58.432.7-172.6-62.9-70.6-54.900113R221 F222 R299R221-Q225 WeakPolarHBondContact O-CA 3.41Å; R221-Q225 PolarHBondContact O-N 3.04Å; F222-Q225 PolarHBondContact O-NE2 3.44Å; Q225-R299 VanDerWaalsContact OE1-CD 3.24Å
226E91.3Very high94Very high128 Ų12863.6 Ų63.660%0.59828%0.284SS*.EExtended strand (participates in β ladder)trans-115.1142.7-178.9-69.8-179.5175.200111.6R221 E224R221-E226 PolarHBondContact N-O 3.34Å; E224-E226 HydrophobicContact CB-CB 4.35Å; E224-E226 HydrophobicContact CB-CG 4.29Å; E224-E226 PolarHBondContact O-N 2.7Å
227Y92.9Very high94Very high56 Ų5665.1 Ų65.122%0.2229%0.292CS..EExtended strand (participates in β ladder)trans-85.5133.3174.8-56.9-72.1000110.6A219 L220 N262 C263 D264 A302A219-Y227 WeakPolarHBondContact O-CA 3.31Å; L220-Y227 HydrophobicContact CB-CD1 4.3Å; L220-Y227 HydrophobicContact CB-CE1 4.34Å; L220-Y227 HydrophobicContact CD1-CD1 3.95Å; L220-Y227 HydrophobicContact CD1-CE1 3.8Å; L220-Y227 HydrophobicContact CG-CE1 4.49Å; Y227-N262 HydrophobicContact CE1-CB 4.49Å; Y227-N262 PolarHBondContact OH-O 3.44Å; Y227-N262 VanDerWaalsContact OH-O 3.08Å; Y227-C263 PolarHBondContact OH-O 3.41Å; Y227-D264 HydrophobicContact CD1-CB 4.05Å; Y227-D264 VanDerWaalsContact CD1-OD2 3.29Å; Y227-D264 WeakPolarHBondContact CD1-OD2 3.43Å; Y227-D264 HydrophobicContact CE1-CB 3.71Å; Y227-A302 WeakPolarHBondContact OH-CB 3.21Å
228S93.9Very high94.1Very high7 Ų761.5 Ų61.55%0.04928%0.277CS..  trans-84.5114.1178.5-172.60000110.9A219 R221 E230 H231 H232A219-S228 PolarHBondContact O-N 3.14Å; R221-S228 PolarHBondContact NH2-OG 2.65Å; S228-E230 PolarHBondContact O-N 3.49Å; S228-H231 WeakPolarHBondContact CB-ND1 3.13Å; S228-H231 PolarHBondContact O-N 3Å; S228-H231 PolarHBondContact OG-ND1 3.01Å; S228-H232 PolarHBondContact O-N 3.31Å
229T93.8Very high94.2Very high100 Ų10057.4 Ų57.461%0.61326%0.263SS*.Hα-helixtrans-55.8-35.1173.554.80000112.4H231 H232 L233T229-H231 PolarHBondContact O-N 3.47Å; T229-H232 WeakPolarHBondContact O-CB 3.08Å; T229-H232 PolarHBondContact O-N 3.45Å; T229-L233 PolarHBondContact O-N 3.42Å
230E95.6Very high94.2Very high80 Ų8061.7 Ų61.737%0.37429%0.286SS..Hα-helixtrans-64-38.9177.3-64.7-52.2129.700113.2G186 S188 S228 H232 L233 V234G186-E230 VanDerWaalsContact O-CB 3.31Å; G186-E230 WeakPolarHBondContact O-CB 3.41Å; S188-E230 PolarHBondContact OG-OE2 3.37Å; S228-E230 PolarHBondContact O-N 3.49Å; E230-H232 VanDerWaalsContact C-N 3.34Å; E230-L233 PolarHBondContact O-N 3.22Å; E230-V234 VanDerWaalsContact O-CG2 3.31Å; E230-V234 WeakPolarHBondContact O-CG2 3.3Å; E230-V234 PolarHBondContact O-N 3.37Å
231H97.6Very high94.4Very high12 Ų1265.6 Ų65.66%0.05630%0.301CS..Hα-helixtrans-70.7-34.2176.8-72.984.1000111.1H184 G186 A215 A219 S228 T229 V234 C235H184-H231 PolarHBondContact O-NE2 3.44Å; H184-H231 VanDerWaalsContact O-NE2 3.13Å; G186-H231 PolarHBondContact N-NE2 2.66Å; A215-H231 PolarHBondContact O-CD2 3.23Å; A219-H231 HydrophobicContact CB-CB 3.68Å; S228-H231 WeakPolarHBondContact CB-ND1 3.13Å; S228-H231 PolarHBondContact O-N 3Å; S228-H231 PolarHBondContact OG-ND1 3.01Å; T229-H231 PolarHBondContact O-N 3.47Å; H231-V234 PolarHBondContact O-N 3.49Å; H231-C235 WeakPolarHBondContact O-CB 3.28Å; H231-C235 PolarHBondContact O-N 3.26Å; H231-C235 PolarHBondContact O-SG 3.25Å
232H97.7Very high94.6Very high28 Ų2867.7 Ų67.713%0.1331%0.314CS..Hα-helixtrans-61.2-45.6171.1-62170.2000111.3S228 T229 E230 C235 R236 D264 L267 M270S228-H232 PolarHBondContact O-N 3.31Å; T229-H232 WeakPolarHBondContact O-CB 3.08Å; T229-H232 PolarHBondContact O-N 3.45Å; E230-H232 VanDerWaalsContact C-N 3.34Å; H232-C235 PolarHBondContact O-N 2.94Å; H232-R236 PolarHBondContact O-N 3.46Å; H232-D264 IonicContact CD2-OD2 2.68Å; H232-D264 IonicContact CE1-OD1 3.34Å; H232-D264 IonicContact CE1-OD2 3.21Å; H232-D264 IonicContact NE2-OD1 2.82Å; H232-D264 IonicContact NE2-OD2 2.66Å; H232-D264 PolarHBondContact NE2-OD2 3.45Å; H232-L267 HydrophobicContact CB-CD2 4.44Å; H232-L267 VanDerWaalsContact CD2-CD2 3.5Å; H232-L267 WeakPolarHBondContact CD2-CD2 3.42Å; H232-M270 HydrophobicContact CB-CE 4.1Å
233L98.1Very high95.2Very high80 Ų8064.6 Ų64.642%0.41930%0.302SS..Hα-helixtrans-62.9-44.8177.1-177.659.3000111.4T229 E230 C235 R236 M237T229-L233 PolarHBondContact O-N 3.42Å; E230-L233 PolarHBondContact O-N 3.22Å; L233-C235 PolarHBondContact O-N 2.94Å; L233-R236 WeakPolarHBondContact O-CB 3.43Å; L233-R236 PolarHBondContact O-N 3.04Å; L233-R236 VanDerWaalsContact O-N 3.16Å; L233-M237 HydrophobicContact CD1-CG 4.28Å; L233-M237 HydrophobicContact CD1-SD 4.27Å; L233-M237 HydrophobicContact CG-CG 4.43Å; L233-M237 HydrophobicContact CG-SD 3.9Å; L233-M237 VanDerWaalsContact O-CG 3.23Å; L233-M237 WeakPolarHBondContact O-CG 3.44Å; L233-M237 PolarHBondContact O-N 3.06Å
234V98.4Very high95.8Very high0 Ų060 Ų600%028%0.283CS..Hα-helixtrans-57.3-48.2174.3167.70000111.3A183 V191 A215 E230 H231 R236 M237 L238A183-V234 HydrophobicContact CB-CG1 4.35Å; V191-V234 HydrophobicContact CG1-CG1 4.47Å; V191-V234 HydrophobicContact CG2-CG1 4.02Å; V191-V234 HydrophobicContact CG2-CG2 4.15Å; A215-V234 HydrophobicContact CB-CB 4.43Å; A215-V234 HydrophobicContact CB-CG1 3.66Å; E230-V234 VanDerWaalsContact O-CG2 3.31Å; E230-V234 WeakPolarHBondContact O-CG2 3.3Å; E230-V234 PolarHBondContact O-N 3.37Å; H231-V234 PolarHBondContact O-N 3.49Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 3.44Å; V234-M237 PolarHBondContact O-N 2.83Å; V234-L238 HydrophobicContact CG1-CD1 3.8Å; V234-L238 HydrophobicContact CG1-CG 4.36Å; V234-L238 VanDerWaalsContact O-CG 3.32Å; V234-L238 WeakPolarHBondContact O-CG 3.05Å; V234-L238 PolarHBondContact O-N 3.22Å
235C98.4Very high96.3Very high1 Ų155.2 Ų55.21%0.00726%0.262CS..Hα-helixtrans-59.2-43.6176.8-68.80000111.1L212 H231 H232 L233 L238 L239 L267L212-C235 HydrophobicContact CD1-CB 4.04Å; H231-C235 WeakPolarHBondContact O-CB 3.28Å; H231-C235 PolarHBondContact O-N 3.26Å; H231-C235 PolarHBondContact O-SG 3.25Å; H232-C235 PolarHBondContact O-N 2.94Å; L233-C235 PolarHBondContact O-N 2.94Å; C235-L238 PolarHBondContact O-N 3.32Å; C235-L239 VanDerWaalsContact O-CG 3.23Å; C235-L239 WeakPolarHBondContact O-CG 3.45Å; C235-L239 PolarHBondContact O-N 3.12Å; C235-L267 HydrophobicContact CB-CD2 3.71Å
236R98.3Very high96.8Very high104 Ų10454.5 Ų54.539%0.39226%0.259SS..Hα-helixtrans-60.6-47.4177.4-178.262.8-168.8-157.82111.9H232 L233 V234 L239 D240 M270H232-R236 PolarHBondContact O-N 3.46Å; L233-R236 WeakPolarHBondContact O-CB 3.43Å; L233-R236 PolarHBondContact O-N 3.04Å; L233-R236 VanDerWaalsContact O-N 3.16Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 3.44Å; R236-L239 PolarHBondContact O-N 3.1Å; R236-D240 IonicContact CZ-OD1 2.65Å; R236-D240 IonicContact NE-OD1 3.11Å; R236-D240 PolarHBondContact NE-OD1 3.11Å; R236-D240 IonicContact NE-OD2 3.8Å; R236-D240 PolarHBondContact NE-OD2 3.48Å; R236-D240 IonicContact NH2-OD1 2.64Å; R236-D240 PolarHBondContact O-N 3.23Å; R236-M270 HydrophobicContact CB-SD 3.92Å; R236-M270 HydrophobicContact CG-SD 4.44Å
237M98Very high97.1Very high32 Ų3249.4 Ų49.416%0.15824%0.239CC..Hα-helixtrans-61.8-45.9179.4-69.1169.669.100111.7S188 A192 L233 V234 L239 D240 Y241S188-M237 VanDerWaalsContact O-CE 3.26Å; S188-M237 WeakPolarHBondContact O-CE 3.48Å; A192-M237 HydrophobicContact CB-CE 3.21Å; L233-M237 HydrophobicContact CD1-CG 4.28Å; L233-M237 HydrophobicContact CD1-SD 4.27Å; L233-M237 HydrophobicContact CG-CG 4.43Å; L233-M237 HydrophobicContact CG-SD 3.9Å; L233-M237 VanDerWaalsContact O-CG 3.23Å; L233-M237 WeakPolarHBondContact O-CG 3.44Å; L233-M237 PolarHBondContact O-N 3.06Å; V234-M237 PolarHBondContact O-N 2.83Å; M237-L239 VanDerWaalsContact C-N 3.31Å; M237-L239 PolarHBondContact O-N 2.96Å; M237-D240 PolarHBondContact O-N 3.39Å; M237-Y241 WeakPolarHBondContact O-CD2 3.35Å; M237-Y241 PolarHBondContact O-N 2.96Å
238L98.3Very high97.3Very high0 Ų051.4 Ų51.40%025%0.246CC..Hα-helixtrans-60.3-41.9177.3-70.3170.3000111.4V191 V201 P211 L212 V234 C235 Y241 K242 A243V191-L238 HydrophobicContact CG1-CD2 3.87Å; V191-L238 HydrophobicContact CG1-CG 4.13Å; V201-L238 HydrophobicContact CG1-CD2 4.09Å; P211-L238 HydrophobicContact CB-CD1 4.18Å; L212-L238 HydrophobicContact CB-CD1 4.17Å; L212-L238 HydrophobicContact CD1-CB 4.21Å; L212-L238 HydrophobicContact CD1-CD1 4.46Å; V234-L238 HydrophobicContact CG1-CD1 3.8Å; V234-L238 HydrophobicContact CG1-CG 4.36Å; V234-L238 VanDerWaalsContact O-CG 3.32Å; V234-L238 WeakPolarHBondContact O-CG 3.05Å; V234-L238 PolarHBondContact O-N 3.22Å; C235-L238 PolarHBondContact O-N 3.32Å; L238-Y241 CarbonylContact O-C 3.39Å; L238-Y241 PolarHBondContact O-N 3.03Å; L238-K242 PolarHBondContact O-N 3.37Å; L238-A243 HydrophobicContact CB-CB 4.08Å; L238-A243 WeakPolarHBondContact O-CB 3.49Å; L238-A243 PolarHBondContact O-N 3.31Å
239L98Very high97.4Very high19 Ų1951.7 Ų51.710%0.09925%0.247CC..Hα-helixtrans-64.9-40.2174.7-68.1172000112.4L212 C235 R236 M237 Y241 K242 V245 M270 A274L212-L239 HydrophobicContact CD1-CD2 4.32Å; L212-L239 HydrophobicContact CD1-CG 4.16Å; L212-L239 HydrophobicContact CD2-CD2 3.67Å; L212-L239 HydrophobicContact CD2-CG 4.4Å; C235-L239 VanDerWaalsContact O-CG 3.23Å; C235-L239 WeakPolarHBondContact O-CG 3.45Å; C235-L239 PolarHBondContact O-N 3.12Å; R236-L239 PolarHBondContact O-N 3.1Å; M237-L239 VanDerWaalsContact C-N 3.31Å; M237-L239 PolarHBondContact O-N 2.96Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; L239-Y241 PolarHBondContact O-N 3.39Å; L239-K242 PolarHBondContact O-N 3.22Å; L239-V245 HydrophobicContact CD2-CB 4.02Å; L239-V245 HydrophobicContact CD2-CG2 3.94Å; L239-M270 HydrophobicContact CD1-CB 4.25Å; L239-A274 HydrophobicContact CD1-CB 4.02Å; L239-A274 HydrophobicContact CD2-CB 3.74Å; L239-A274 HydrophobicContact CG-CB 4.31Å
240D97.4Very high97.5Very high91 Ų9151.1 Ų51.149%0.48724%0.24SC..Hα-helixtrans-63.4-35.3175.1-71.5-27.7000111R236 M237 K242R236-D240 IonicContact CZ-OD1 2.65Å; R236-D240 IonicContact NE-OD1 3.11Å; R236-D240 PolarHBondContact NE-OD1 3.11Å; R236-D240 IonicContact NE-OD2 3.8Å; R236-D240 PolarHBondContact NE-OD2 3.48Å; R236-D240 IonicContact NH2-OD1 2.64Å; R236-D240 PolarHBondContact O-N 3.23Å; M237-D240 PolarHBondContact O-N 3.39Å; D240-K242 PolarHBondContact O-N 3.09Å
241Y97.2Very high97.6Very high85 Ų8550.6 Ų50.633%0.33324%0.24SC..THydrogen-bonded Turntrans-77.816.1169.8-69.3-57.4000114.8V195 M237 L238 L239 A243V195-Y241 HydrophobicContact CB-CD2 4.21Å; V195-Y241 HydrophobicContact CB-CE2 4.24Å; V195-Y241 HydrophobicContact CB-CG 4.5Å; V195-Y241 HydrophobicContact CG1-CD1 3.75Å; V195-Y241 HydrophobicContact CG1-CD2 3.86Å; V195-Y241 HydrophobicContact CG1-CE1 4.07Å; V195-Y241 HydrophobicContact CG1-CE2 4.17Å; V195-Y241 HydrophobicContact CG1-CG 3.66Å; V195-Y241 HydrophobicContact CG2-CD2 4.34Å; M237-Y241 WeakPolarHBondContact O-CD2 3.35Å; M237-Y241 PolarHBondContact O-N 2.96Å; L238-Y241 CarbonylContact O-C 3.39Å; L238-Y241 PolarHBondContact O-N 3.03Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; L239-Y241 PolarHBondContact O-N 3.39Å; Y241-A243 PolarHBondContact O-N 3.03Å
242K96.8Very high97.5Very high174 Ų17454.5 Ų54.576%0.75726%0.257SS*.THydrogen-bonded Turntrans65.129.4174.5-50.5-58-178.7-1680115.2L238 L239 D240L238-K242 PolarHBondContact O-N 3.37Å; L239-K242 PolarHBondContact O-N 3.22Å; D240-K242 PolarHBondContact O-N 3.09Å
243A97.8Very high97.5Very high9 Ų955.2 Ų55.27%0.07426%0.26CS..  trans-53.8140.1169.200000111.7V201 D202 L212 L238 Y241 V245V201-A243 HydrophobicContact CG1-CB 3.53Å; D202-A243 WeakPolarHBondContact OD1-CA 3.2Å; L212-A243 HydrophobicContact CB-CB 4.38Å; L212-A243 HydrophobicContact CD2-CB 4.07Å; L238-A243 HydrophobicContact CB-CB 4.08Å; L238-A243 WeakPolarHBondContact O-CB 3.49Å; L238-A243 PolarHBondContact O-N 3.31Å; Y241-A243 PolarHBondContact O-N 3.03Å; A243-V245 PolarHBondContact O-N 3.45Å; A243-V245 VanDerWaalsContact O-N 3.13Å
244E97.8Very high97.5Very high96 Ų9651.4 Ų51.445%0.44924%0.24SC..  trans-71.7105.5178.4179.749.9-114.600110.5D202 N246 A247D202-E244 PolarHBondContact OD1-N 3.31Å; E244-N246 VanDerWaalsContact C-N 3.28Å; E244-N246 PolarHBondContact O-N 2.9Å; E244-N246 WeakPolarHBondContact OE1-CB 3.22Å; E244-N246 PolarHBondContact OE1-N 3.15Å; E244-A247 HydrophobicContact CB-CB 4.39Å; E244-A247 HydrophobicContact CG-CB 4.17Å; E244-A247 WeakPolarHBondContact O-CB 3.42Å; E244-A247 PolarHBondContact O-N 3.06Å
245V97.7Very high97.5Very high8 Ų851.4 Ų51.45%0.04824%0.24CC..THydrogen-bonded Turntrans-72.4-21.3-174.472.50000113.2L212 L239 A243 P255 M271 A274 A276L212-V245 HydrophobicContact CD2-CG2 4.49Å; L239-V245 HydrophobicContact CD2-CB 4.02Å; L239-V245 HydrophobicContact CD2-CG2 3.94Å; A243-V245 PolarHBondContact O-N 3.45Å; A243-V245 VanDerWaalsContact O-N 3.13Å; V245-P255 WeakPolarHBondContact O-CD 3.4Å; V245-P255 WeakPolarHBondContact O-CG 3.47Å; V245-M271 HydrophobicContact CG2-CB 3.98Å; V245-M271 HydrophobicContact CG2-CG 4.21Å; V245-A274 HydrophobicContact CG2-CB 4.41Å; V245-A276 HydrophobicContact CG1-CB 4.36Å; V245-A276 HydrophobicContact CG2-CB 3.79Å
246N97.8Very high97.5Very high35 Ų3551.3 Ų51.319%0.18724%0.24CC..THydrogen-bonded Turntrans-102.914.1179.1-65.8-52.3000113E244 G275 A276 E277 L280E244-N246 VanDerWaalsContact C-N 3.28Å; E244-N246 PolarHBondContact O-N 2.9Å; E244-N246 WeakPolarHBondContact OE1-CB 3.22Å; E244-N246 PolarHBondContact OE1-N 3.15Å; N246-G275 PolarHBondContact ND2-O 3.36Å; N246-G275 VanDerWaalsContact ND2-O 3.16Å; N246-A276 WeakPolarHBondContact OD1-CA 3.42Å; N246-E277 PolarHBondContact OD1-N 3.13Å; N246-L280 HydrophobicContact CB-CD1 3.98Å
247A97.3Very high97.5Very high21 Ų2146.5 Ų46.517%0.17422%0.221CC..  trans-55144.8172.200000110.6T210 E244 S254 P255T210-A247 HydrophobicContact CG2-CB 3.66Å; E244-A247 HydrophobicContact CB-CB 4.39Å; E244-A247 HydrophobicContact CG-CB 4.17Å; E244-A247 WeakPolarHBondContact O-CB 3.42Å; E244-A247 PolarHBondContact O-N 3.06Å; A247-S254 VanDerWaalsContact O-CA 3.27Å; A247-S254 WeakPolarHBondContact O-CA 3.5Å; A247-P255 VanDerWaalsContact O-CD 3.24Å; A247-P255 WeakPolarHBondContact O-CD 3.35Å
248R96.8Very high97.5Very high97 Ų9745.8 Ų45.837%0.36622%0.218SC..  trans-124.6130.7-174.4-68.9175.687.7-169.58.2110.3F252 K253 M281R248-F252 PolarHBondContact NE-O 3.45Å; R248-F252 VanDerWaalsContact NH2-CB 3.31Å; R248-K253 WeakPolarHBondContact CA-O 3.49Å; R248-M281 PolarHBondContact NH2-O 3.25Å
249D96.7Very high97.5Very high13 Ų1345.8 Ų45.87%0.0722%0.218CC..  trans-74.4-178.8171.771.111.2000111.9H207 E209 D251 F252 K253 K258H207-D249 WeakPolarHBondContact O-CB 3.29Å; E209-D249 HydrophobicContact CG-CB 3.74Å; D249-D251 PolarHBondContact O-N 3.38Å; D249-D251 WeakPolarHBondContact OD1-CA 3.28Å; D249-D251 WeakPolarHBondContact OD1-CB 3.22Å; D249-D251 PolarHBondContact OD1-N 2.91Å; D249-F252 VanDerWaalsContact O-CA 3.3Å; D249-F252 WeakPolarHBondContact O-CA 3.4Å; D249-F252 PolarHBondContact O-N 3.21Å; D249-F252 PolarHBondContact OD1-N 3.21Å; D249-F252 VanDerWaalsContact OD1-N 3.13Å; D249-K253 PolarHBondContact N-O 2.96Å; D249-K253 WeakPolarHBondContact OD1-CA 3.39Å; D249-K253 WeakPolarHBondContact OD1-CB 3.47Å; D249-K253 PolarHBondContact OD1-N 3.26Å; D249-K253 WeakPolarHBondContact OD2-CB 3.34Å; D249-K258 WeakPolarHBondContact OD2-CE 3.46Å; D249-K258 IonicContact OD2-NZ 2.64Å; D249-K258 PolarHBondContact OD2-NZ 2.88Å
250D96.3Very high97.4Very high88 Ų8844.9 Ų44.947%0.47121%0.213SC..THydrogen-bonded Turntrans-57.5-32178.9-74.7-16.6000113.5H207 M208 F252H207-D250 WeakPolarHBondContact CA-OD2 3.19Å; H207-D250 PolarHBondContact O-N 3.08Å; M208-D250 WeakPolarHBondContact CG-OD1 3.41Å; D250-F252 PolarHBondContact O-N 2.99Å
251D96.7Very high97.4Very high70 Ų7044.8 Ų44.837%0.37421%0.206SC..THydrogen-bonded Turntrans-84.58.3175.6-76-31.3000112.3D249 K253 D282 I283D249-D251 PolarHBondContact O-N 3.38Å; D249-D251 WeakPolarHBondContact OD1-CA 3.28Å; D249-D251 WeakPolarHBondContact OD1-CB 3.22Å; D249-D251 PolarHBondContact OD1-N 2.91Å; D251-K253 HydrophobicContact CB-CD 3.84Å; D251-K253 HydrophobicContact CB-CG 4Å; D251-K253 PolarHBondContact O-N 3.47Å; D251-K253 IonicContact OD2-NZ 3.29Å; D251-K253 PolarHBondContact OD2-NZ 3.24Å; D251-D282 WeakPolarHBondContact O-CA 3.46Å; D251-D282 WeakPolarHBondContact O-CB 3.33Å; D251-I283 PolarHBondContact O-N 3.13Å
252F97.1Very high97.3Very high94 Ų9440.7 Ų40.741%0.41219%0.19SC..  trans63.518.5-175.8-72.5-72.5000115.4R248 D249 D250 I283R248-F252 PolarHBondContact NE-O 3.45Å; R248-F252 VanDerWaalsContact NH2-CB 3.31Å; D249-F252 VanDerWaalsContact O-CA 3.3Å; D249-F252 WeakPolarHBondContact O-CA 3.4Å; D249-F252 PolarHBondContact O-N 3.21Å; D249-F252 PolarHBondContact OD1-N 3.21Å; D249-F252 VanDerWaalsContact OD1-N 3.13Å; D250-F252 PolarHBondContact O-N 2.99Å; F252-I283 HydrophobicContact CD2-CB 4.18Å; F252-I283 HydrophobicContact CD2-CG1 4.43Å
253K97.7Very high97.2Very high42 Ų4232.4 Ų32.418%0.18315%0.154CC..  trans-82135178.8-58.1160.9-179.1153.80109.7R248 D249 D251 H257 D282 Y291R248-K253 WeakPolarHBondContact CA-O 3.49Å; D249-K253 PolarHBondContact N-O 2.96Å; D249-K253 WeakPolarHBondContact OD1-CA 3.39Å; D249-K253 WeakPolarHBondContact OD1-CB 3.47Å; D249-K253 PolarHBondContact OD1-N 3.26Å; D249-K253 WeakPolarHBondContact OD2-CB 3.34Å; D251-K253 HydrophobicContact CB-CD 3.84Å; D251-K253 HydrophobicContact CB-CG 4Å; D251-K253 PolarHBondContact O-N 3.47Å; D251-K253 IonicContact OD2-NZ 3.29Å; D251-K253 PolarHBondContact OD2-NZ 3.24Å; K253-H257 HydrophobicContact CB-CB 3.98Å; K253-H257 HydrophobicContact CG-CB 4.49Å; K253-D282 HydrophobicContact CG-CB 3.91Å; K253-Y291 WeakPolarHBondContact CE-OH 3.34Å
254S97.8Very high97.2Very high0 Ų032 Ų320%015%0.15CC..  trans-92.4165.517369.40000112.3A247 L256 H257 K258A247-S254 VanDerWaalsContact O-CA 3.27Å; A247-S254 WeakPolarHBondContact O-CA 3.5Å; S254-L256 PolarHBondContact O-N 2.89Å; S254-L256 VanDerWaalsContact O-N 3.1Å; S254-H257 PolarHBondContact N-ND1 3.34Å; S254-H257 VanDerWaalsContact N-ND1 3.12Å; S254-H257 WeakPolarHBondContact O-CA 3.46Å; S254-H257 VanDerWaalsContact O-CB 3.28Å; S254-H257 WeakPolarHBondContact O-CB 3.21Å; S254-H257 PolarHBondContact O-N 3.09Å; S254-H257 PolarHBondContact OG-ND1 3.41Å; S254-K258 PolarHBondContact O-N 3.13Å
255P98.1Very high97.1Very high0 Ų029.6 Ų29.60%014%0.139CC..Hα-helixtrans-47.1-38.5169.9-29.832.7000113.4L212 A213 V245 A247 H257 K258 A259 M271L212-P255 HydrophobicContact CD2-CB 4.23Å; L212-P255 HydrophobicContact CD2-CG 3.97Å; L212-P255 HydrophobicContact CG-CB 4.14Å; L212-P255 HydrophobicContact CG-CG 4.09Å; A213-P255 HydrophobicContact CB-CG 4.17Å; V245-P255 WeakPolarHBondContact O-CD 3.4Å; V245-P255 WeakPolarHBondContact O-CG 3.47Å; A247-P255 VanDerWaalsContact O-CD 3.24Å; A247-P255 WeakPolarHBondContact O-CD 3.35Å; P255-H257 VanDerWaalsContact C-N 3.29Å; P255-H257 PolarHBondContact O-N 3.41Å; P255-K258 WeakPolarHBondContact O-CB 3.37Å; P255-K258 PolarHBondContact O-N 3.14Å; P255-K258 VanDerWaalsContact O-N 3.08Å; P255-A259 PolarHBondContact O-N 2.82Å; P255-M271 HydrophobicContact CB-CE 3.51Å; P255-M271 HydrophobicContact CB-SD 3.9Å; P255-M271 WeakPolarHBondContact O-CE 3.23Å; P255-M271 VanDerWaalsContact O-SD 3.37Å
256L98.4Very high97Very high0 Ų031.8 Ų31.80%015%0.152CC..Hα-helixtrans-62.8-32.5176.7-175.163.7000112.9S254 A260 M268 M271 L272 A276 A278 A288 L311S254-L256 PolarHBondContact O-N 2.89Å; S254-L256 VanDerWaalsContact O-N 3.1Å; L256-A260 WeakPolarHBondContact O-CB 3.25Å; L256-A260 PolarHBondContact O-N 3.38Å; L256-M268 HydrophobicContact CD1-CB 4.24Å; L256-M268 HydrophobicContact CD1-CG 4.11Å; L256-M271 VanDerWaalsContact CA-SD 3.52Å; L256-M271 HydrophobicContact CB-SD 4.28Å; L256-M271 HydrophobicContact CD1-CB 4.28Å; L256-M271 HydrophobicContact CD1-SD 4.43Å; L256-M271 PolarHBondContact N-SD 3.09Å; L256-M271 VanDerWaalsContact N-SD 3.42Å; L256-L272 HydrophobicContact CD1-CD2 4.32Å; L256-L272 HydrophobicContact CD1-CG 4.09Å; L256-L272 HydrophobicContact CD2-CD2 3.78Å; L256-L272 HydrophobicContact CD2-CG 4.45Å; L256-A276 HydrophobicContact CB-CB 4.19Å; L256-A276 HydrophobicContact CD2-CB 4.03Å; L256-A278 HydrophobicContact CD2-CB 4.45Å; L256-A288 HydrophobicContact CD2-CB 4.11Å; L256-A288 HydrophobicContact CG-CB 3.96Å; L256-L311 HydrophobicContact CD2-CD2 4.2Å
257H98.3Very high97Very high2 Ų230.1 Ų30.11%0.00914%0.143CC..Hα-helixtrans-67.1-40173-68.181.7000111.7K253 S254 P255 A260 W261 L280 C286 Y291K253-H257 HydrophobicContact CB-CB 3.98Å; K253-H257 HydrophobicContact CG-CB 4.49Å; S254-H257 PolarHBondContact N-ND1 3.34Å; S254-H257 VanDerWaalsContact N-ND1 3.12Å; S254-H257 WeakPolarHBondContact O-CA 3.46Å; S254-H257 VanDerWaalsContact O-CB 3.28Å; S254-H257 WeakPolarHBondContact O-CB 3.21Å; S254-H257 PolarHBondContact O-N 3.09Å; S254-H257 PolarHBondContact OG-ND1 3.41Å; P255-H257 VanDerWaalsContact C-N 3.29Å; P255-H257 PolarHBondContact O-N 3.41Å; H257-A260 PolarHBondContact O-N 3.31Å; H257-W261 WeakPolarHBondContact O-CB 3.39Å; H257-W261 PolarHBondContact O-N 3.43Å; H257-L280 PolarHBondContact CE1-O 3.12Å; H257-L280 PolarHBondContact NE2-O 3.32Å; H257-L280 VanDerWaalsContact NE2-O 3.16Å; H257-C286 PolarHBondContact NE2-O 3.48Å; H257-Y291 AromaticContact CD2-CD2 3.81Å; H257-Y291 AromaticContact CD2-CE2 3.58Å
258K97.4Very high97.1Very high18 Ų1829.1 Ų29.18%0.07814%0.135CC..Hα-helixtrans-66.1-43.8177.6-51.5-72.1179.71630110.5E209 A216 Y217 D249 S254 P255 A260 W261 N262E209-K258 IonicContact OE1-NZ 3.73Å; E209-K258 PolarHBondContact OE1-NZ 3.36Å; A216-K258 HydrophobicContact CB-CB 4.12Å; Y217-K258 HydrophobicContact CD2-CD 4Å; Y217-K258 HydrophobicContact CG-CD 4.44Å; D249-K258 WeakPolarHBondContact OD2-CE 3.46Å; D249-K258 IonicContact OD2-NZ 2.64Å; D249-K258 PolarHBondContact OD2-NZ 2.88Å; S254-K258 PolarHBondContact O-N 3.13Å; P255-K258 WeakPolarHBondContact O-CB 3.37Å; P255-K258 PolarHBondContact O-N 3.14Å; P255-K258 VanDerWaalsContact O-N 3.08Å; K258-A260 PolarHBondContact O-N 3.11Å; K258-W261 WeakPolarHBondContact O-CB 3.39Å; K258-W261 PolarHBondContact O-N 3.43Å; K258-N262 PolarHBondContact O-N 3.35Å
259A97.6Very high97.1Very high0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-62.4-41.7173.400000112.5P255 N262 C263 D264 L267 M268 M271P255-A259 PolarHBondContact O-N 2.82Å; A259-N262 PolarHBondContact O-N 2.96Å; A259-C263 PolarHBondContact O-N 3.26Å; A259-C263 VanDerWaalsContact O-N 3.15Å; A259-D264 PolarHBondContact O-N 3.29Å; A259-D264 VanDerWaalsContact O-N 3.16Å; A259-L267 HydrophobicContact CB-CB 3.72Å; A259-L267 HydrophobicContact CB-CD1 4.42Å; A259-M268 HydrophobicContact CB-CG 3.86Å; A259-M271 HydrophobicContact CB-CE 4.06Å; A259-M271 HydrophobicContact CB-SD 3.7Å
260A97.4Very high97.2Very high0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-67.1-34.3176.500000113.2L256 H257 K258 N262 C263 M268 A288 V292L256-A260 WeakPolarHBondContact O-CB 3.25Å; L256-A260 PolarHBondContact O-N 3.38Å; H257-A260 PolarHBondContact O-N 3.31Å; K258-A260 PolarHBondContact O-N 3.11Å; A260-N262 PolarHBondContact O-N 2.64Å; A260-C263 PolarHBondContact O-N 2.91Å; A260-M268 HydrophobicContact CB-SD 4.34Å; A260-A288 HydrophobicContact CB-CB 3.95Å; A260-A288 WeakPolarHBondContact CB-O 3.43Å; A260-V292 HydrophobicContact CB-CG2 3.95Å
261W96.1Very high97.2Very high88 Ų8824.6 Ų24.633%0.33312%0.115SC..Hα-helixtrans-62.1-34.4171.9-177.4-107000112.3H257 K258 C263 Y291 V295H257-W261 WeakPolarHBondContact O-CB 3.39Å; H257-W261 PolarHBondContact O-N 3.43Å; K258-W261 WeakPolarHBondContact O-CB 3.39Å; K258-W261 PolarHBondContact O-N 3.43Å; W261-C263 VanDerWaalsContact C-N 3.27Å; W261-Y291 HydrophobicContact CB-CD1 3.97Å; W261-Y291 HydrophobicContact CD2-CD1 4.37Å; W261-Y291 AromaticContact CE3-CD1 3.67Å; W261-Y291 HydrophobicContact CE3-CD1 3.67Å; W261-Y291 HydrophobicContact CE3-CE1 4.07Å; W261-V295 HydrophobicContact CD2-CG1 3.92Å; W261-V295 HydrophobicContact CE3-CG1 3.51Å; W261-V295 HydrophobicContact CH2-CG1 4.31Å; W261-V295 HydrophobicContact CZ3-CG1 3.74Å; W261-V295 WeakPolarHBondContact O-CG1 3.47Å; W261-V295 WeakPolarHBondContact O-CG2 3.48Å
262N95.1Very high97.3Very high0 Ų021.3 Ų21.30%010%0.097CC..Hα-helixtrans-80-10.6175-71.3-16000112.8A216 Y217 L220 Y227 K258 A259 A260 D264A216-N262 PolarHBondContact O-ND2 2.88Å; Y217-N262 PolarHBondContact O-ND2 3.03Å; L220-N262 HydrophobicContact CB-CB 3.96Å; L220-N262 HydrophobicContact CD2-CB 4.22Å; Y227-N262 HydrophobicContact CE1-CB 4.49Å; Y227-N262 PolarHBondContact OH-O 3.44Å; Y227-N262 VanDerWaalsContact OH-O 3.08Å; K258-N262 PolarHBondContact O-N 3.35Å; A259-N262 PolarHBondContact O-N 2.96Å; A260-N262 PolarHBondContact O-N 2.64Å; N262-D264 HydrophobicContact CB-CB 4.14Å; N262-D264 PolarHBondContact O-N 3.06Å
263C96Very high97.2Very high0 Ų021.4 Ų21.40%010%0.099CC..THydrogen-bonded Turntrans54.535.6-170.3-154.80000112.2Y227 A259 A260 W261 H265 V295 A302 C307Y227-C263 PolarHBondContact OH-O 3.41Å; A259-C263 PolarHBondContact O-N 3.26Å; A259-C263 VanDerWaalsContact O-N 3.15Å; A260-C263 PolarHBondContact O-N 2.91Å; W261-C263 VanDerWaalsContact C-N 3.27Å; C263-H265 PolarHBondContact O-N 3.3Å; C263-V295 HydrophobicContact CB-CG2 3.91Å; C263-A302 HydrophobicContact CB-CB 3.65Å; C263-C307 PolarHBondContact O-SG 3.34Å
264D96.2Very high97.1Very high0 Ų021.9 Ų21.90%011%0.111CC..  trans-92.195-174.7-170.8-26.6000110.5Y227 H232 A259 N262 V266 L267 M268Y227-D264 HydrophobicContact CD1-CB 4.05Å; Y227-D264 VanDerWaalsContact CD1-OD2 3.29Å; Y227-D264 WeakPolarHBondContact CD1-OD2 3.43Å; Y227-D264 HydrophobicContact CE1-CB 3.71Å; H232-D264 IonicContact CD2-OD2 2.68Å; H232-D264 IonicContact CE1-OD1 3.34Å; H232-D264 IonicContact CE1-OD2 3.21Å; H232-D264 IonicContact NE2-OD1 2.82Å; H232-D264 IonicContact NE2-OD2 2.66Å; H232-D264 PolarHBondContact NE2-OD2 3.45Å; A259-D264 PolarHBondContact O-N 3.29Å; A259-D264 VanDerWaalsContact O-N 3.16Å; N262-D264 HydrophobicContact CB-CB 4.14Å; N262-D264 PolarHBondContact O-N 3.06Å; D264-V266 PolarHBondContact O-N 3.28Å; D264-V266 WeakPolarHBondContact OD1-CB 3.38Å; D264-V266 PolarHBondContact OD1-N 3.3Å; D264-L267 HydrophobicContact CB-CB 4.21Å; D264-L267 HydrophobicContact CB-CD1 4.42Å; D264-L267 HydrophobicContact CB-CG 4.42Å; D264-L267 PolarHBondContact O-N 2.9Å; D264-L267 PolarHBondContact OD1-N 3.23Å; D264-L267 VanDerWaalsContact OD1-N 3.12Å; D264-L267 WeakPolarHBondContact OD2-CG 3.34Å; D264-M268 WeakPolarHBondContact O-CB 3.19Å; D264-M268 WeakPolarHBondContact O-CG 3.28Å; D264-M268 PolarHBondContact O-N 3.41Å
265H96.1Very high97Very high46 Ų4623.8 Ų23.821%0.21313%0.13CC..Hα-helixtrans-60.6-27.8-179.368.8-80.8000113.1C263 H269 Q303 I306 L310C263-H265 PolarHBondContact O-N 3.3Å; H265-H269 VanDerWaalsContact O-CB 3.26Å; H265-H269 WeakPolarHBondContact O-CB 3.38Å; H265-H269 PolarHBondContact O-N 3.13Å; H265-Q303 PolarHBondContact CE1-OE1 3.48Å; H265-Q303 PolarHBondContact NE2-OE1 2.95Å; H265-I306 HydrophobicContact CB-CB 4Å; H265-I306 HydrophobicContact CB-CG2 3.8Å; H265-L310 HydrophobicContact CB-CD1 4.38Å; H265-L310 WeakPolarHBondContact O-CD1 3.45Å
266V97.1Very high97Very high54 Ų5424.1 Ų24.133%0.32713%0.133SC..Hα-helixtrans-71.7-50.6-179.2-177.70000109.8D264 H269 M270D264-V266 PolarHBondContact O-N 3.28Å; D264-V266 WeakPolarHBondContact OD1-CB 3.38Å; D264-V266 PolarHBondContact OD1-N 3.3Å; V266-H269 PolarHBondContact O-N 3.08Å; V266-M270 HydrophobicContact CG1-CE 4.19Å; V266-M270 WeakPolarHBondContact O-CG 3.26Å; V266-M270 PolarHBondContact O-N 2.89Å
267L97.5Very high96.9Very high0 Ų029.4 Ų29.40%016%0.158CC..Hα-helixtrans-62.8-43.5175.1-73.8-174000111.9A216 A219 H232 C235 A259 D264 H269 M270 M271A216-L267 HydrophobicContact CB-CD1 4.23Å; A219-L267 HydrophobicContact CB-CD1 3.54Å; H232-L267 HydrophobicContact CB-CD2 4.44Å; H232-L267 VanDerWaalsContact CD2-CD2 3.5Å; H232-L267 WeakPolarHBondContact CD2-CD2 3.42Å; C235-L267 HydrophobicContact CB-CD2 3.71Å; A259-L267 HydrophobicContact CB-CB 3.72Å; A259-L267 HydrophobicContact CB-CD1 4.42Å; D264-L267 HydrophobicContact CB-CB 4.21Å; D264-L267 HydrophobicContact CB-CD1 4.42Å; D264-L267 HydrophobicContact CB-CG 4.42Å; D264-L267 PolarHBondContact O-N 2.9Å; D264-L267 PolarHBondContact OD1-N 3.23Å; D264-L267 VanDerWaalsContact OD1-N 3.12Å; D264-L267 WeakPolarHBondContact OD2-CG 3.34Å; L267-H269 VanDerWaalsContact C-N 3.3Å; L267-H269 PolarHBondContact O-N 3.17Å; L267-M270 HydrophobicContact CD2-CE 3.43Å; L267-M270 VanDerWaalsContact CD2-CE 3.43Å; L267-M270 HydrophobicContact CG-CE 4.47Å; L267-M270 PolarHBondContact O-N 2.72Å; L267-M271 WeakPolarHBondContact O-CB 3.42Å; L267-M271 VanDerWaalsContact O-CG 3.28Å; L267-M271 WeakPolarHBondContact O-CG 3.31Å; L267-M271 PolarHBondContact O-N 3.2Å
268M98.1Very high96.8Very high0 Ų029.5 Ų29.50%016%0.158CC..Hα-helixtrans-58.8-43.8177.5-71.7174.964.900111.2L256 A259 A260 D264 M271 L272 V292 C307 L310 L311L256-M268 HydrophobicContact CD1-CB 4.24Å; L256-M268 HydrophobicContact CD1-CG 4.11Å; A259-M268 HydrophobicContact CB-CG 3.86Å; A260-M268 HydrophobicContact CB-SD 4.34Å; D264-M268 WeakPolarHBondContact O-CB 3.19Å; D264-M268 WeakPolarHBondContact O-CG 3.28Å; D264-M268 PolarHBondContact O-N 3.41Å; M268-M271 PolarHBondContact O-N 2.93Å; M268-L272 VanDerWaalsContact O-CB 3.24Å; M268-L272 WeakPolarHBondContact O-CB 3.47Å; M268-L272 WeakPolarHBondContact O-CD1 3.44Å; M268-L272 WeakPolarHBondContact O-CG 3.4Å; M268-L272 PolarHBondContact O-N 2.84Å; M268-V292 HydrophobicContact CE-CG2 4.03Å; M268-V292 HydrophobicContact SD-CG2 4.24Å; M268-C307 HydrophobicContact CE-CB 3.87Å; M268-C307 HydrophobicContact SD-CB 3.8Å; M268-L310 HydrophobicContact CB-CD1 4.34Å; M268-L311 HydrophobicContact CE-CD1 3.52Å; M268-L311 HydrophobicContact CE-CD2 3.83Å; M268-L311 HydrophobicContact CE-CG 3.44Å; M268-L311 VanDerWaalsContact CE-CG 3.44Å
269H97.6Very high96.7Very high78 Ų7831.6 Ų31.636%0.36117%0.171SC..Hα-helixtrans-59.1-52.3175.4-176.9-87.9000111.4H265 V266 L267 M271 L272 E273 L310H265-H269 VanDerWaalsContact O-CB 3.26Å; H265-H269 WeakPolarHBondContact O-CB 3.38Å; H265-H269 PolarHBondContact O-N 3.13Å; V266-H269 PolarHBondContact O-N 3.08Å; L267-H269 VanDerWaalsContact C-N 3.3Å; L267-H269 PolarHBondContact O-N 3.17Å; H269-M271 VanDerWaalsContact C-N 3.33Å; H269-M271 PolarHBondContact O-N 3.07Å; H269-L272 PolarHBondContact O-N 2.66Å; H269-E273 IonicContact CE1-OE1 3.95Å; H269-E273 PolarHBondContact CE1-OE1 3.23Å; H269-E273 IonicContact CE1-OE2 3.64Å; H269-E273 PolarHBondContact CE1-OE2 3.3Å; H269-E273 VanDerWaalsContact CE1-OE2 3.27Å; H269-E273 IonicContact ND1-OE1 3.4Å; H269-E273 IonicContact ND1-OE2 3.61Å; H269-E273 PolarHBondContact ND1-OE2 3.24Å; H269-E273 IonicContact NE2-OE1 3.57Å; H269-E273 WeakPolarHBondContact O-CB 3.37Å; H269-E273 WeakPolarHBondContact O-CG 3.42Å; H269-E273 PolarHBondContact O-N 3.02Å; H269-L310 HydrophobicContact CB-CD1 3.97Å; H269-L310 HydrophobicContact CB-CD2 4.44Å
270M97.9Very high96.7Very high23 Ų2333 Ų3311%0.11318%0.178CC..Hα-helixtrans-58.2-43.3-179.5-70.5-169-67.100112.7H232 R236 L239 V266 L267 A274H232-M270 HydrophobicContact CB-CE 4.1Å; R236-M270 HydrophobicContact CB-SD 3.92Å; R236-M270 HydrophobicContact CG-SD 4.44Å; L239-M270 HydrophobicContact CD1-CB 4.25Å; V266-M270 HydrophobicContact CG1-CE 4.19Å; V266-M270 WeakPolarHBondContact O-CG 3.26Å; V266-M270 PolarHBondContact O-N 2.89Å; L267-M270 HydrophobicContact CD2-CE 3.43Å; L267-M270 VanDerWaalsContact CD2-CE 3.43Å; L267-M270 HydrophobicContact CG-CE 4.47Å; L267-M270 PolarHBondContact O-N 2.72Å; M270-A274 WeakPolarHBondContact O-CB 3.37Å; M270-A274 PolarHBondContact O-N 2.78Å
271M97.8Very high96.6Very high1 Ų137.4 Ų37.41%0.00520%0.2CC..Hα-helixtrans-66.5-44.8178.4-69.5175.1176.100111.9A216 V245 P255 L256 A259 L267 M268 H269 E273 A274 G275 A276A216-M271 HydrophobicContact CB-CE 3.33Å; V245-M271 HydrophobicContact CG2-CB 3.98Å; V245-M271 HydrophobicContact CG2-CG 4.21Å; P255-M271 HydrophobicContact CB-CE 3.51Å; P255-M271 HydrophobicContact CB-SD 3.9Å; P255-M271 WeakPolarHBondContact O-CE 3.23Å; P255-M271 VanDerWaalsContact O-SD 3.37Å; L256-M271 VanDerWaalsContact CA-SD 3.52Å; L256-M271 HydrophobicContact CB-SD 4.28Å; L256-M271 HydrophobicContact CD1-CB 4.28Å; L256-M271 HydrophobicContact CD1-SD 4.43Å; L256-M271 PolarHBondContact N-SD 3.09Å; L256-M271 VanDerWaalsContact N-SD 3.42Å; A259-M271 HydrophobicContact CB-CE 4.06Å; A259-M271 HydrophobicContact CB-SD 3.7Å; L267-M271 WeakPolarHBondContact O-CB 3.42Å; L267-M271 VanDerWaalsContact O-CG 3.28Å; L267-M271 WeakPolarHBondContact O-CG 3.31Å; L267-M271 PolarHBondContact O-N 3.2Å; M268-M271 PolarHBondContact O-N 2.93Å; H269-M271 VanDerWaalsContact C-N 3.33Å; H269-M271 PolarHBondContact O-N 3.07Å; M271-E273 VanDerWaalsContact C-N 3.33Å; M271-E273 PolarHBondContact O-N 3.26Å; M271-A274 CarbonylContact O-C 3.41Å; M271-A274 PolarHBondContact O-N 3.19Å; M271-G275 PolarHBondContact O-N 3.45Å; M271-A276 VanDerWaalsContact C-CB 3.48Å; M271-A276 HydrophobicContact CB-CB 3.92Å; M271-A276 WeakPolarHBondContact O-CB 3.4Å; M271-A276 PolarHBondContact O-N 3.46Å
272L97.3Very high96.7Very high2 Ų233.6 Ų33.61%0.0119%0.186CC..Hα-helixtrans-65.4-36.3179.1-73.8172.1000112.2L256 M268 H269 A274 G275 A276 A278 L310 L311 H314L256-L272 HydrophobicContact CD1-CD2 4.32Å; L256-L272 HydrophobicContact CD1-CG 4.09Å; L256-L272 HydrophobicContact CD2-CD2 3.78Å; L256-L272 HydrophobicContact CD2-CG 4.45Å; M268-L272 VanDerWaalsContact O-CB 3.24Å; M268-L272 WeakPolarHBondContact O-CB 3.47Å; M268-L272 WeakPolarHBondContact O-CD1 3.44Å; M268-L272 WeakPolarHBondContact O-CG 3.4Å; M268-L272 PolarHBondContact O-N 2.84Å; H269-L272 PolarHBondContact O-N 2.66Å; L272-A274 VanDerWaalsContact C-N 3.35Å; L272-G275 PolarHBondContact O-N 2.89Å; L272-A276 HydrophobicContact CD2-CB 4.35Å; L272-A278 HydrophobicContact CD2-CB 4.22Å; L272-L310 HydrophobicContact CD1-CB 3.75Å; L272-L311 HydrophobicContact CD1-CD2 4.49Å; L272-H314 HydrophobicContact CD1-CB 4.43Å; L272-H314 HydrophobicContact CD2-CB 3.76Å; L272-H314 PolarHBondContact O-CE1 3.05Å
273E95.6Very high96.7Very high96 Ų9638.5 Ų38.545%0.44921%0.211SC..Hα-helixtrans-63.7-40.4171.1-76-170.1135.700112.2H269 M271 G275H269-E273 IonicContact CE1-OE1 3.95Å; H269-E273 PolarHBondContact CE1-OE1 3.23Å; H269-E273 IonicContact CE1-OE2 3.64Å; H269-E273 PolarHBondContact CE1-OE2 3.3Å; H269-E273 VanDerWaalsContact CE1-OE2 3.27Å; H269-E273 IonicContact ND1-OE1 3.4Å; H269-E273 IonicContact ND1-OE2 3.61Å; H269-E273 PolarHBondContact ND1-OE2 3.24Å; H269-E273 IonicContact NE2-OE1 3.57Å; H269-E273 WeakPolarHBondContact O-CB 3.37Å; H269-E273 WeakPolarHBondContact O-CG 3.42Å; H269-E273 PolarHBondContact O-N 3.02Å; M271-E273 VanDerWaalsContact C-N 3.33Å; M271-E273 PolarHBondContact O-N 3.26Å; E273-G275 PolarHBondContact O-N 3.35Å
274A96.6Very high96.7Very high52 Ų5244.2 Ų44.243%0.4324%0.242SC..THydrogen-bonded Turntrans-71.3-5.6176.500000114L239 V245 M270 M271 L272L239-A274 HydrophobicContact CD1-CB 4.02Å; L239-A274 HydrophobicContact CD2-CB 3.74Å; L239-A274 HydrophobicContact CG-CB 4.31Å; V245-A274 HydrophobicContact CG2-CB 4.41Å; M270-A274 WeakPolarHBondContact O-CB 3.37Å; M270-A274 PolarHBondContact O-N 2.78Å; M271-A274 CarbonylContact O-C 3.41Å; M271-A274 PolarHBondContact O-N 3.19Å; L272-A274 VanDerWaalsContact C-N 3.35Å
275G96Very high96.6Very high39 Ų3946 Ų4640%0.40226%0.26SS..THydrogen-bonded Turntrans10419.1176.100000114.9N246 M271 L272 E273 E277N246-G275 PolarHBondContact ND2-O 3.36Å; N246-G275 VanDerWaalsContact ND2-O 3.16Å; M271-G275 PolarHBondContact O-N 3.45Å; L272-G275 PolarHBondContact O-N 2.89Å; E273-G275 PolarHBondContact O-N 3.35Å; G275-E277 PolarHBondContact O-N 3.27Å
276A97.5Very high96.6Very high7 Ų744.7 Ų44.76%0.05826%0.256CS..  trans-59.5135173.500000111.9V245 N246 L256 M271 L272V245-A276 HydrophobicContact CG1-CB 4.36Å; V245-A276 HydrophobicContact CG2-CB 3.79Å; N246-A276 WeakPolarHBondContact OD1-CA 3.42Å; L256-A276 HydrophobicContact CB-CB 4.19Å; L256-A276 HydrophobicContact CD2-CB 4.03Å; M271-A276 VanDerWaalsContact C-CB 3.48Å; M271-A276 HydrophobicContact CB-CB 3.92Å; M271-A276 WeakPolarHBondContact O-CB 3.4Å; M271-A276 PolarHBondContact O-N 3.46Å; L272-A276 HydrophobicContact CD2-CB 4.35Å
277E96.4Very high96.6Very high112 Ų11242.3 Ų42.352%0.52324%0.242SC..  trans-86.9113.3178.2-72.8-174.8-166.800111.2N246 G275 N279 L280N246-E277 PolarHBondContact OD1-N 3.13Å; G275-E277 PolarHBondContact O-N 3.27Å; E277-N279 PolarHBondContact O-N 3.11Å; E277-N279 VanDerWaalsContact O-N 3.15Å; E277-L280 HydrophobicContact CB-CD1 3.91Å; E277-L280 HydrophobicContact CB-CG 3.72Å; E277-L280 PolarHBondContact O-N 3.42Å
278A96.1Very high96.5Very high3 Ų342.4 Ų42.43%0.02524%0.242CC..THydrogen-bonded Turntrans-68.4-12.8-177.300000114.8L256 L272 L311 H314 A316L256-A278 HydrophobicContact CD2-CB 4.45Å; L272-A278 HydrophobicContact CD2-CB 4.22Å; A278-L311 HydrophobicContact CB-CD2 4Å; A278-H314 HydrophobicContact CB-CB 4.41Å; A278-A316 HydrophobicContact CB-CB 3.94Å
279N95.6Very high96.5Very high63 Ų6342.4 Ų42.434%0.33724%0.243SC..THydrogen-bonded Turntrans-103.1-2-176.3-71.8-40.2000114.2E277 M281 G315 A316 A317E277-N279 PolarHBondContact O-N 3.11Å; E277-N279 VanDerWaalsContact O-N 3.15Å; N279-M281 PolarHBondContact O-N 2.92Å; N279-G315 PolarHBondContact ND2-O 3.47Å; N279-G315 PolarHBondContact OD1-O 3.38Å; N279-A316 VanDerWaalsContact OD1-CA 3.28Å; N279-A316 WeakPolarHBondContact OD1-CA 3.4Å; N279-A317 PolarHBondContact OD1-N 3.48Å
280L96.7Very high96.4Very high30 Ų3041.3 Ų41.316%0.15724%0.238CC..  trans-57.8138.6172.3-70174.5000109.2N246 H257 E277 A287N246-L280 HydrophobicContact CB-CD1 3.98Å; H257-L280 PolarHBondContact CE1-O 3.12Å; H257-L280 PolarHBondContact NE2-O 3.32Å; H257-L280 VanDerWaalsContact NE2-O 3.16Å; E277-L280 HydrophobicContact CB-CD1 3.91Å; E277-L280 HydrophobicContact CB-CG 3.72Å; E277-L280 PolarHBondContact O-N 3.42Å; L280-A287 VanDerWaalsContact O-CA 3.27Å; L280-A287 WeakPolarHBondContact O-CA 3.4Å; L280-A287 VanDerWaalsContact O-CB 3.26Å; L280-A287 WeakPolarHBondContact O-CB 3.36Å
281M96.4Very high96.3Very high92 Ų9241.1 Ų41.145%0.45324%0.236SC..BIsolated β-bridgetrans-113.9143.1-178.3-64-178.4179.200109.8R248 N279 A287R248-M281 PolarHBondContact NH2-O 3.25Å; N279-M281 PolarHBondContact O-N 2.92Å; M281-A287 HydrophobicContact CG-CB 4.38Å
282D96.4Very high96.2Very high7 Ų741 Ų414%0.03724%0.235CC..  trans-73.4-178.5167.272.91.9000111.8D251 K253 N284 G285 C286 Y291D251-D282 WeakPolarHBondContact O-CA 3.46Å; D251-D282 WeakPolarHBondContact O-CB 3.33Å; K253-D282 HydrophobicContact CG-CB 3.91Å; D282-N284 PolarHBondContact O-N 3.12Å; D282-N284 VanDerWaalsContact O-N 3.11Å; D282-N284 VanDerWaalsContact OD1-CA 3.29Å; D282-N284 WeakPolarHBondContact OD1-CA 3.44Å; D282-N284 WeakPolarHBondContact OD1-CB 3.3Å; D282-N284 PolarHBondContact OD1-N 3.41Å; D282-G285 PolarHBondContact O-N 3.01Å; D282-G285 PolarHBondContact OD1-N 2.86Å; D282-G285 VanDerWaalsContact OD1-N 3.09Å; D282-C286 PolarHBondContact N-O 3.29Å; D282-C286 WeakPolarHBondContact OD1-CA 3.44Å; D282-C286 WeakPolarHBondContact OD1-CB 3.37Å; D282-C286 PolarHBondContact OD1-N 3.36Å; D282-Y291 WeakPolarHBondContact OD2-CE2 3.48Å; D282-Y291 PolarHBondContact OD2-OH 3.43Å
283I96.4Very high96.1Very high103 Ų10342.2 Ų42.253%0.52824%0.242SC..THydrogen-bonded Turntrans-58-22.8176.6-161.7167.8000113.6D251 F252D251-I283 PolarHBondContact O-N 3.13Å; F252-I283 HydrophobicContact CD2-CB 4.18Å; F252-I283 HydrophobicContact CD2-CG1 4.43Å
284N94.9Very high96Very high121 Ų12142.8 Ų42.865%0.64724%0.243SC*.THydrogen-bonded Turntrans-91.83.9179-57.7-63.1000112.8D282 C286D282-N284 PolarHBondContact O-N 3.12Å; D282-N284 VanDerWaalsContact O-N 3.11Å; D282-N284 VanDerWaalsContact OD1-CA 3.29Å; D282-N284 WeakPolarHBondContact OD1-CA 3.44Å; D282-N284 WeakPolarHBondContact OD1-CB 3.3Å; D282-N284 PolarHBondContact OD1-N 3.41Å; N284-C286 VanDerWaalsContact C-N 3.25Å; N284-C286 PolarHBondContact O-N 2.94Å
285G94.5Very high95.8Very high38 Ų3840.5 Ų40.539%0.39222%0.223SC..SBendtrans71.917.1-174.900000113.8D282D282-G285 PolarHBondContact O-N 3.01Å; D282-G285 PolarHBondContact OD1-N 2.86Å; D282-G285 VanDerWaalsContact OD1-N 3.09Å
286C95.8Very high95.6Very high18 Ų1839 Ų3912%0.12221%0.207CC..  trans-91.7123.5175.8-66.60000109.7H257 D282 N284 Q290 Y291 K294H257-C286 PolarHBondContact NE2-O 3.48Å; D282-C286 PolarHBondContact N-O 3.29Å; D282-C286 WeakPolarHBondContact OD1-CA 3.44Å; D282-C286 WeakPolarHBondContact OD1-CB 3.37Å; D282-C286 PolarHBondContact OD1-N 3.36Å; N284-C286 VanDerWaalsContact C-N 3.25Å; N284-C286 PolarHBondContact O-N 2.94Å; C286-Q290 HydrophobicContact CB-CB 4.11Å; C286-Y291 HydrophobicContact CB-CD2 4.14Å; C286-Y291 HydrophobicContact CB-CE2 3.68Å; C286-K294 PolarHBondContact SG-NZ 2.79Å
287A96.6Very high95.2Very high4 Ų442.5 Ų42.53%0.03323%0.23CC..BIsolated β-bridgetrans-91175.6167.800000110.8L280 M281 I289 Q290 Y291L280-A287 VanDerWaalsContact O-CA 3.27Å; L280-A287 WeakPolarHBondContact O-CA 3.4Å; L280-A287 VanDerWaalsContact O-CB 3.26Å; L280-A287 WeakPolarHBondContact O-CB 3.36Å; M281-A287 HydrophobicContact CG-CB 4.38Å; A287-I289 PolarHBondContact O-N 3.44Å; A287-I289 VanDerWaalsContact O-N 3.1Å; A287-Q290 VanDerWaalsContact CA-OE1 3.32Å; A287-Q290 PolarHBondContact O-N 3.48Å; A287-Q290 PolarHBondContact O-OE1 3.15Å; A287-Y291 WeakPolarHBondContact O-CD2 3.32Å; A287-Y291 PolarHBondContact O-N 3.44Å
288A97.1Very high94.9Very high1 Ų141 Ų411%0.00823%0.229CC..Hα-helixtrans-52.8-35.7-178.300000113.7L256 A260 Q290 Y291 V292 L311L256-A288 HydrophobicContact CD2-CB 4.11Å; L256-A288 HydrophobicContact CG-CB 3.96Å; A260-A288 HydrophobicContact CB-CB 3.95Å; A260-A288 WeakPolarHBondContact CB-O 3.43Å; A288-Q290 VanDerWaalsContact C-N 3.32Å; A288-Q290 PolarHBondContact O-N 2.63Å; A288-Y291 WeakPolarHBondContact O-CB 3.02Å; A288-Y291 PolarHBondContact O-N 3.29Å; A288-Y291 VanDerWaalsContact O-N 3.1Å; A288-V292 PolarHBondContact O-N 3.22Å; A288-V292 VanDerWaalsContact O-N 3.15Å; A288-L311 HydrophobicContact CB-CD1 4.25Å; A288-L311 HydrophobicContact CB-CD2 3.73Å
289I96.4Very high94.5Very high1 Ų142.2 Ų42.21%0.00523%0.233CC..Hα-helixtrans-65-33.8179.3-162.4169.8000112.8A287 Y291 L293 Y308 L311 L312 I319A287-I289 PolarHBondContact O-N 3.44Å; A287-I289 VanDerWaalsContact O-N 3.1Å; I289-Y291 VanDerWaalsContact C-N 3.33Å; I289-L293 PolarHBondContact O-N 3.2Å; I289-Y308 HydrophobicContact CD1-CD1 4.19Å; I289-Y308 HydrophobicContact CG1-CD1 3.81Å; I289-Y308 HydrophobicContact CG1-CE1 3.92Å; I289-L311 HydrophobicContact CB-CD1 3.91Å; I289-L311 HydrophobicContact CG1-CD1 4.24Å; I289-L312 HydrophobicContact CD1-CD2 4.1Å; I289-L312 HydrophobicContact CD1-CG 4.37Å; I289-I319 HydrophobicContact CD1-CG1 4.47Å
290Q95.9Very high93.5Very high55 Ų5544.9 Ų44.926%0.25725%0.253SS..Hα-helixtrans-72.3-28.9174.7-6986.3-12.500111.9C286 A287 A288 K294C286-Q290 HydrophobicContact CB-CB 4.11Å; A287-Q290 VanDerWaalsContact CA-OE1 3.32Å; A287-Q290 PolarHBondContact O-N 3.48Å; A287-Q290 PolarHBondContact O-OE1 3.15Å; A288-Q290 VanDerWaalsContact C-N 3.32Å; A288-Q290 PolarHBondContact O-N 2.63Å; Q290-K294 WeakPolarHBondContact O-CG 3.44Å; Q290-K294 PolarHBondContact O-N 2.97Å; Q290-K294 VanDerWaalsContact O-N 3.12Å
291Y95.9Very high92.7Very high18 Ų1846.5 Ų46.57%0.07127%0.271CS..Hα-helixtrans-66.9-49.8174.8-83.9-109.1000110.8K253 H257 W261 D282 C286 A287 A288 I289 L293 K294 V295K253-Y291 WeakPolarHBondContact CE-OH 3.34Å; H257-Y291 AromaticContact CD2-CD2 3.81Å; H257-Y291 AromaticContact CD2-CE2 3.58Å; W261-Y291 HydrophobicContact CB-CD1 3.97Å; W261-Y291 HydrophobicContact CD2-CD1 4.37Å; W261-Y291 AromaticContact CE3-CD1 3.67Å; W261-Y291 HydrophobicContact CE3-CD1 3.67Å; W261-Y291 HydrophobicContact CE3-CE1 4.07Å; D282-Y291 WeakPolarHBondContact OD2-CE2 3.48Å; D282-Y291 PolarHBondContact OD2-OH 3.43Å; C286-Y291 HydrophobicContact CB-CD2 4.14Å; C286-Y291 HydrophobicContact CB-CE2 3.68Å; A287-Y291 WeakPolarHBondContact O-CD2 3.32Å; A287-Y291 PolarHBondContact O-N 3.44Å; A288-Y291 WeakPolarHBondContact O-CB 3.02Å; A288-Y291 PolarHBondContact O-N 3.29Å; A288-Y291 VanDerWaalsContact O-N 3.1Å; I289-Y291 VanDerWaalsContact C-N 3.33Å; Y291-L293 PolarHBondContact O-N 3.39Å; Y291-K294 PolarHBondContact O-N 3.09Å; Y291-V295 WeakPolarHBondContact O-CG2 3.36Å; Y291-V295 PolarHBondContact O-N 3.06Å
292V96.3Very high92.3Very high0 Ų042.8 Ų42.80%026%0.255CS..Hα-helixtrans-53.2-45174.3179.60000110.6A260 M268 A288 K294 V295 T296 C307 Y308 L311A260-V292 HydrophobicContact CB-CG2 3.95Å; M268-V292 HydrophobicContact CE-CG2 4.03Å; M268-V292 HydrophobicContact SD-CG2 4.24Å; A288-V292 PolarHBondContact O-N 3.22Å; A288-V292 VanDerWaalsContact O-N 3.15Å; V292-K294 PolarHBondContact O-N 3.23Å; V292-V295 PolarHBondContact O-N 3.15Å; V292-T296 PolarHBondContact O-N 2.77Å; V292-T296 PolarHBondContact O-OG1 3.31Å; V292-C307 HydrophobicContact CG1-CB 3.92Å; V292-C307 HydrophobicContact CG2-CB 4.07Å; V292-Y308 HydrophobicContact CB-CE1 4.19Å; V292-Y308 HydrophobicContact CG1-CD1 4.36Å; V292-Y308 HydrophobicContact CG1-CD2 4.35Å; V292-Y308 HydrophobicContact CG1-CE1 3.9Å; V292-Y308 HydrophobicContact CG1-CE2 3.89Å; V292-L311 HydrophobicContact CG2-CD1 3.94Å
293L94.7Very high92.2Very high27 Ų2746.2 Ų46.214%0.14127%0.271CS..Hα-helixtrans-59.4-41.1177.7-176.669.6000113.6I289 Y291 V295 Y308 I319 V327 A330I289-L293 PolarHBondContact O-N 3.2Å; Y291-L293 PolarHBondContact O-N 3.39Å; L293-V295 VanDerWaalsContact C-N 3.31Å; L293-V295 PolarHBondContact O-N 2.82Å; L293-Y308 WeakPolarHBondContact CA-OH 3.49Å; L293-Y308 PolarHBondContact N-OH 3.45Å; L293-I319 HydrophobicContact CD2-CD1 4.19Å; L293-V327 HydrophobicContact CD1-CB 4.39Å; L293-V327 HydrophobicContact CD1-CG2 4.27Å; L293-A330 HydrophobicContact CD1-CB 3.48Å; L293-A330 VanDerWaalsContact CD1-CB 3.48Å; L293-A330 HydrophobicContact CG-CB 4.22Å; L293-A330 WeakPolarHBondContact O-CB 3.18Å
294K93.6Very high92.1Very high108 Ų10841.5 Ų41.547%0.4725%0.247SC..Hα-helixtrans-68.7-29.8-179.7-73.5171.5-174.7175.90112.7C286 Q290 Y291 V292C286-K294 PolarHBondContact SG-NZ 2.79Å; Q290-K294 WeakPolarHBondContact O-CG 3.44Å; Q290-K294 PolarHBondContact O-N 2.97Å; Q290-K294 VanDerWaalsContact O-N 3.12Å; Y291-K294 PolarHBondContact O-N 3.09Å; V292-K294 PolarHBondContact O-N 3.23Å
295V93.3Very high92.2Very high4 Ų437.4 Ų37.42%0.02422%0.224CC..Hα-helixtrans-104.9-14.2-170-56.30000114.3W261 C263 Y291 V292 L293 S297 V298 R299W261-V295 HydrophobicContact CD2-CG1 3.92Å; W261-V295 HydrophobicContact CE3-CG1 3.51Å; W261-V295 HydrophobicContact CH2-CG1 4.31Å; W261-V295 HydrophobicContact CZ3-CG1 3.74Å; W261-V295 WeakPolarHBondContact O-CG1 3.47Å; W261-V295 WeakPolarHBondContact O-CG2 3.48Å; C263-V295 HydrophobicContact CB-CG2 3.91Å; Y291-V295 WeakPolarHBondContact O-CG2 3.36Å; Y291-V295 PolarHBondContact O-N 3.06Å; V292-V295 PolarHBondContact O-N 3.15Å; L293-V295 VanDerWaalsContact C-N 3.31Å; L293-V295 PolarHBondContact O-N 2.82Å; V295-S297 VanDerWaalsContact C-N 3.29Å; V295-S297 PolarHBondContact O-N 3.25Å; V295-V298 PolarHBondContact O-N 3.35Å; V295-R299 HydrophobicContact CB-CG 4.3Å; V295-R299 WeakPolarHBondContact O-CG 3.22Å; V295-R299 PolarHBondContact O-N 3.2Å
296T91.9Very high92.3Very high8 Ų837.9 Ų37.95%0.04922%0.217CC..G310 helixtrans-52.3-44.8-175.6-64.60000112.6V292 V298 P304V292-T296 PolarHBondContact O-N 2.77Å; V292-T296 PolarHBondContact O-OG1 3.31Å; T296-V298 PolarHBondContact O-N 3.34Å; T296-P304 HydrophobicContact CG2-CB 3.75Å; T296-P304 HydrophobicContact CG2-CG 3.84Å
297S88.4Confident92.4Very high79 Ų7937 Ų3755%0.55221%0.211SC*.G310 helixtrans-71.2-16.8-179.558.30000114.1V295V295-S297 VanDerWaalsContact C-N 3.29Å; V295-S297 PolarHBondContact O-N 3.25Å
298V88.9Confident92.4Very high82 Ų8236.9 Ų36.950%0.49721%0.209SC..G310 helixtrans-105.20.5-173.8-146.40000112.1V295 T296V295-V298 PolarHBondContact O-N 3.35Å; T296-V298 PolarHBondContact O-N 3.34Å
299R88.3Confident92.4Very high28 Ų2838.3 Ų38.311%0.10622%0.216CC..  trans-13077.6-175.6-61.9-63.7179.3-95.5-4.4110.3L220 Q225 V295 A301 A302L220-R299 VanDerWaalsContact CD2-NE 3.29Å; Q225-R299 VanDerWaalsContact OE1-CD 3.24Å; V295-R299 HydrophobicContact CB-CG 4.3Å; V295-R299 WeakPolarHBondContact O-CG 3.22Å; V295-R299 PolarHBondContact O-N 3.2Å; R299-A301 VanDerWaalsContact C-N 3.25Å; R299-A301 PolarHBondContact O-N 3.25Å; R299-A302 HydrophobicContact CB-CB 3.84Å; R299-A302 WeakPolarHBondContact O-CB 3.29Å; R299-A302 PolarHBondContact O-N 2.63Å; R299-A302 VanDerWaalsContact O-N 3.11Å
300P75.9Confident92.4Very high118 Ų11839.2 Ų39.277%0.76622%0.221SC*.THydrogen-bonded Turntrans-66-25.7-174.126.4-34.7000113.8A302P300-A302 VanDerWaalsContact C-N 3.31Å
301A79Confident92.5Very high65 Ų6536.6 Ų36.654%0.53721%0.209SC..THydrogen-bonded Turntrans-82.7-5.8177.400000113.7R299R299-A301 VanDerWaalsContact C-N 3.25Å; R299-A301 PolarHBondContact O-N 3.25Å
302A88.6Confident92.6Very high13 Ų1336.1 Ų36.111%0.10721%0.207CC..  trans-79.5159.3-179.400000112.3Y227 C263 R299 P300 P304Y227-A302 WeakPolarHBondContact OH-CB 3.21Å; C263-A302 HydrophobicContact CB-CB 3.65Å; R299-A302 HydrophobicContact CB-CB 3.84Å; R299-A302 WeakPolarHBondContact O-CB 3.29Å; R299-A302 PolarHBondContact O-N 2.63Å; R299-A302 VanDerWaalsContact O-N 3.11Å; P300-A302 VanDerWaalsContact C-N 3.31Å; A302-P304 VanDerWaalsContact C-CD 3.4Å; A302-P304 WeakPolarHBondContact O-CD 3.48Å
303Q93.4Very high92.6Very high80 Ų8036.6 Ų36.637%0.37421%0.21SC..  trans-111.374.1174.6-68.6-178.5-39.300109.6H265 E305 I306 C307H265-Q303 PolarHBondContact CE1-OE1 3.48Å; H265-Q303 PolarHBondContact NE2-OE1 2.95Å; Q303-E305 PolarHBondContact O-N 3.5Å; Q303-I306 HydrophobicContact CB-CD1 4.02Å; Q303-I306 HydrophobicContact CB-CG1 4.15Å; Q303-I306 PolarHBondContact O-N 2.86Å; Q303-I306 VanDerWaalsContact O-N 3.11Å; Q303-I306 VanDerWaalsContact OE1-CD1 3.26Å; Q303-C307 PolarHBondContact O-N 3.34Å
304P95.1Very high92.7Very high3 Ų336.3 Ų36.32%0.01921%0.208CC..Hα-helixtrans-59.5-30.9-173.125.5-36000112.8T296 A302 I306 C307 Y308 C334 A337T296-P304 HydrophobicContact CG2-CB 3.75Å; T296-P304 HydrophobicContact CG2-CG 3.84Å; A302-P304 VanDerWaalsContact C-CD 3.4Å; A302-P304 WeakPolarHBondContact O-CD 3.48Å; P304-I306 VanDerWaalsContact C-N 3.29Å; P304-I306 PolarHBondContact O-N 3.11Å; P304-C307 WeakPolarHBondContact O-CB 3.4Å; P304-C307 PolarHBondContact O-N 2.95Å; P304-Y308 HydrophobicContact CB-CD2 4.37Å; P304-Y308 HydrophobicContact CB-CE2 4.1Å; P304-Y308 WeakPolarHBondContact O-CD2 3.31Å; P304-Y308 PolarHBondContact O-N 2.89Å; P304-C334 HydrophobicContact CG-CB 4.05Å; P304-A337 HydrophobicContact CB-CB 4.18Å; P304-A337 HydrophobicContact CG-CB 4.12Å
305E95.9Very high92.7Very high36 Ų3631.6 Ų31.617%0.16819%0.189CC..Hα-helixtrans-57.9-41176.965-84-15700112.4Q303 Q309 K336 A337 V340 P421Q303-E305 PolarHBondContact O-N 3.5Å; E305-Q309 WeakPolarHBondContact O-CB 3.28Å; E305-Q309 PolarHBondContact O-N 3.43Å; E305-K336 HydrophobicContact CB-CB 3.89Å; E305-K336 HydrophobicContact CG-CB 4.06Å; E305-A337 HydrophobicContact CB-CB 4.17Å; E305-V340 HydrophobicContact CB-CG2 4.25Å; E305-P421 HydrophobicContact CB-CG 4.45Å; E305-P421 HydrophobicContact CG-CG 4.39Å
306I96.9Very high92.8Very high48 Ų4831.8 Ų31.825%0.24619%0.191CC..Hα-helixtrans-71.1-42.8177.9-54.1-177.3000109.4H265 Q303 P304 Y308 Q309 L310H265-I306 HydrophobicContact CB-CB 4Å; H265-I306 HydrophobicContact CB-CG2 3.8Å; Q303-I306 HydrophobicContact CB-CD1 4.02Å; Q303-I306 HydrophobicContact CB-CG1 4.15Å; Q303-I306 PolarHBondContact O-N 2.86Å; Q303-I306 VanDerWaalsContact O-N 3.11Å; Q303-I306 VanDerWaalsContact OE1-CD1 3.26Å; P304-I306 VanDerWaalsContact C-N 3.29Å; P304-I306 PolarHBondContact O-N 3.11Å; I306-Y308 PolarHBondContact O-N 3.29Å; I306-Q309 WeakPolarHBondContact O-CB 3.49Å; I306-Q309 PolarHBondContact O-N 3.34Å; I306-L310 HydrophobicContact CG2-CD1 3.94Å; I306-L310 HydrophobicContact CG2-CG 4.14Å; I306-L310 WeakPolarHBondContact O-CB 3.48Å; I306-L310 VanDerWaalsContact O-CG 3.24Å; I306-L310 WeakPolarHBondContact O-CG 3.48Å; I306-L310 PolarHBondContact O-N 3.04Å
307C97.4Very high92.9Very high0 Ų033.7 Ų33.70%021%0.208CC..Hα-helixtrans-57.5-47.8177.3-62.30000112C263 M268 V292 Q303 P304 L311C263-C307 PolarHBondContact O-SG 3.34Å; M268-C307 HydrophobicContact CE-CB 3.87Å; M268-C307 HydrophobicContact SD-CB 3.8Å; V292-C307 HydrophobicContact CG1-CB 3.92Å; V292-C307 HydrophobicContact CG2-CB 4.07Å; Q303-C307 PolarHBondContact O-N 3.34Å; P304-C307 WeakPolarHBondContact O-CB 3.4Å; P304-C307 PolarHBondContact O-N 2.95Å; C307-L311 WeakPolarHBondContact O-CG 3.4Å; C307-L311 PolarHBondContact O-N 3.48Å; C307-L311 VanDerWaalsContact O-N 3.15Å
308Y97.3Very high93.1Very high0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-64.4-42175.5-72.2-62000111.9I289 V292 L293 P304 I306 L311 L312 A337 V341I289-Y308 HydrophobicContact CD1-CD1 4.19Å; I289-Y308 HydrophobicContact CG1-CD1 3.81Å; I289-Y308 HydrophobicContact CG1-CE1 3.92Å; V292-Y308 HydrophobicContact CB-CE1 4.19Å; V292-Y308 HydrophobicContact CG1-CD1 4.36Å; V292-Y308 HydrophobicContact CG1-CD2 4.35Å; V292-Y308 HydrophobicContact CG1-CE1 3.9Å; V292-Y308 HydrophobicContact CG1-CE2 3.89Å; L293-Y308 WeakPolarHBondContact CA-OH 3.49Å; L293-Y308 PolarHBondContact N-OH 3.45Å; P304-Y308 HydrophobicContact CB-CD2 4.37Å; P304-Y308 HydrophobicContact CB-CE2 4.1Å; P304-Y308 WeakPolarHBondContact O-CD2 3.31Å; P304-Y308 PolarHBondContact O-N 2.89Å; I306-Y308 PolarHBondContact O-N 3.29Å; Y308-L311 PolarHBondContact O-N 3.4Å; Y308-L312 WeakPolarHBondContact O-CB 3.48Å; Y308-L312 WeakPolarHBondContact O-CD1 3.44Å; Y308-L312 VanDerWaalsContact O-CG 3.24Å; Y308-L312 WeakPolarHBondContact O-CG 3.45Å; Y308-L312 PolarHBondContact O-N 3.25Å; Y308-A337 HydrophobicContact CD2-CB 3.91Å; Y308-A337 HydrophobicContact CE2-CB 4.07Å; Y308-V341 HydrophobicContact CD1-CG2 3.67Å; Y308-V341 HydrophobicContact CD2-CG2 3.92Å; Y308-V341 HydrophobicContact CE1-CG2 4.21Å; Y308-V341 HydrophobicContact CE2-CG2 4.44Å; Y308-V341 HydrophobicContact CG-CG2 3.52Å
309Q96.9Very high93.3Very high31 Ų3133.1 Ų33.115%0.14519%0.186CC..Hα-helixtrans-59.8-48.7179.8-175.1-174.820.500111E305 I306 L312 N313 V340 L418 L419E305-Q309 WeakPolarHBondContact O-CB 3.28Å; E305-Q309 PolarHBondContact O-N 3.43Å; I306-Q309 WeakPolarHBondContact O-CB 3.49Å; I306-Q309 PolarHBondContact O-N 3.34Å; Q309-L312 PolarHBondContact O-N 2.86Å; Q309-N313 VanDerWaalsContact O-CB 3.27Å; Q309-N313 WeakPolarHBondContact O-CB 3.47Å; Q309-N313 PolarHBondContact O-N 3.05Å; Q309-N313 PolarHBondContact O-ND2 3.36Å; Q309-V340 HydrophobicContact CB-CG1 3.91Å; Q309-L418 VanDerWaalsContact CG-O 3.25Å; Q309-L418 WeakPolarHBondContact CG-O 3.47Å; Q309-L418 PolarHBondContact NE2-O 3.18Å; Q309-L419 HydrophobicContact CG-CB 4.43Å
310L97.7Very high93.4Very high21 Ų2139.4 Ų39.411%0.1121%0.211CC..Hα-helixtrans-58.1-53.4177.8-70.7172.3000111.2H265 M268 H269 L272 I306 L312 N313 H314H265-L310 HydrophobicContact CB-CD1 4.38Å; H265-L310 WeakPolarHBondContact O-CD1 3.45Å; M268-L310 HydrophobicContact CB-CD1 4.34Å; H269-L310 HydrophobicContact CB-CD1 3.97Å; H269-L310 HydrophobicContact CB-CD2 4.44Å; L272-L310 HydrophobicContact CD1-CB 3.75Å; I306-L310 HydrophobicContact CG2-CD1 3.94Å; I306-L310 HydrophobicContact CG2-CG 4.14Å; I306-L310 WeakPolarHBondContact O-CB 3.48Å; I306-L310 VanDerWaalsContact O-CG 3.24Å; I306-L310 WeakPolarHBondContact O-CG 3.48Å; I306-L310 PolarHBondContact O-N 3.04Å; L310-L312 PolarHBondContact O-N 3.19Å; L310-N313 PolarHBondContact O-N 3.15Å; L310-H314 PolarHBondContact O-CD2 2.94Å; L310-H314 PolarHBondContact O-N 3.34Å
311L97.7Very high94.1Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-57.6-48.3-179.9-71.3173.6000111.8L256 M268 L272 A278 A288 I289 V292 C307 Y308 N313 H314 G315 A316L256-L311 HydrophobicContact CD2-CD2 4.2Å; M268-L311 HydrophobicContact CE-CD1 3.52Å; M268-L311 HydrophobicContact CE-CD2 3.83Å; M268-L311 HydrophobicContact CE-CG 3.44Å; M268-L311 VanDerWaalsContact CE-CG 3.44Å; L272-L311 HydrophobicContact CD1-CD2 4.49Å; A278-L311 HydrophobicContact CB-CD2 4Å; A288-L311 HydrophobicContact CB-CD1 4.25Å; A288-L311 HydrophobicContact CB-CD2 3.73Å; I289-L311 HydrophobicContact CB-CD1 3.91Å; I289-L311 HydrophobicContact CG1-CD1 4.24Å; V292-L311 HydrophobicContact CG2-CD1 3.94Å; C307-L311 WeakPolarHBondContact O-CG 3.4Å; C307-L311 PolarHBondContact O-N 3.48Å; C307-L311 VanDerWaalsContact O-N 3.15Å; Y308-L311 PolarHBondContact O-N 3.4Å; L311-N313 VanDerWaalsContact C-N 3.32Å; L311-N313 PolarHBondContact O-N 3.41Å; L311-H314 CarbonylContact O-C 3.33Å; L311-H314 PolarHBondContact O-N 3.03Å; L311-H314 VanDerWaalsContact O-N 3.17Å; L311-G315 PolarHBondContact O-N 3.17Å; L311-A316 VanDerWaalsContact C-CB 3.42Å; L311-A316 HydrophobicContact CB-CB 3.74Å; L311-A316 WeakPolarHBondContact O-CB 3.25Å; L311-A316 PolarHBondContact O-N 3.09Å
312L96.9Very high94.7Very high8 Ų836.4 Ų36.44%0.04219%0.186CC..Hα-helixtrans-67-31.7-179.2-69167.8000112.7I289 Y308 Q309 L310 H314 G315 R318 V340 A344 R393 L419I289-L312 HydrophobicContact CD1-CD2 4.1Å; I289-L312 HydrophobicContact CD1-CG 4.37Å; Y308-L312 WeakPolarHBondContact O-CB 3.48Å; Y308-L312 WeakPolarHBondContact O-CD1 3.44Å; Y308-L312 VanDerWaalsContact O-CG 3.24Å; Y308-L312 WeakPolarHBondContact O-CG 3.45Å; Y308-L312 PolarHBondContact O-N 3.25Å; Q309-L312 PolarHBondContact O-N 2.86Å; L310-L312 PolarHBondContact O-N 3.19Å; L312-H314 VanDerWaalsContact C-N 3.31Å; L312-G315 PolarHBondContact O-N 3.32Å; L312-R318 HydrophobicContact CD2-CG 4.09Å; L312-V340 HydrophobicContact CD1-CG1 4.11Å; L312-A344 HydrophobicContact CD1-CB 4.03Å; L312-A344 HydrophobicContact CD2-CB 4.19Å; L312-R393 PolarHBondContact O-NH2 3.44Å; L312-L419 HydrophobicContact CB-CD1 3.93Å; L312-L419 HydrophobicContact CD1-CD1 4Å
313N96.2Very high94.9Very high9 Ų939.4 Ų39.45%0.04820%0.198CC..Hα-helixtrans-75.8-19.6175.5-73.1-20.2000113.5Q309 L310 L311 R393 C400 H401 L418Q309-N313 VanDerWaalsContact O-CB 3.27Å; Q309-N313 WeakPolarHBondContact O-CB 3.47Å; Q309-N313 PolarHBondContact O-N 3.05Å; Q309-N313 PolarHBondContact O-ND2 3.36Å; L310-N313 PolarHBondContact O-N 3.15Å; L311-N313 VanDerWaalsContact C-N 3.32Å; L311-N313 PolarHBondContact O-N 3.41Å; N313-R393 PolarHBondContact OD1-NH1 2.85Å; N313-R393 PolarHBondContact OD1-NH2 3.37Å; N313-C400 HydrophobicContact CB-CB 4.45Å; N313-C400 WeakPolarHBondContact O-CB 3.35Å; N313-H401 HydrophobicContact CB-CB 4.29Å; N313-H401 PolarHBondContact O-N 3.47Å; N313-H401 PolarHBondContact O-ND1 2.81Å; N313-L418 PolarHBondContact ND2-O 3.01Å; N313-L418 PolarHBondContact OD1-O 3.14Å
314H96.6Very high94.9Very high22 Ų2235.6 Ų35.610%0.10218%0.18CC..THydrogen-bonded Turntrans-98.114.1171.9-74.5-105.8000112.9L272 A278 L310 L311 L312 N398 H401L272-H314 HydrophobicContact CD1-CB 4.43Å; L272-H314 HydrophobicContact CD2-CB 3.76Å; L272-H314 PolarHBondContact O-CE1 3.05Å; A278-H314 HydrophobicContact CB-CB 4.41Å; L310-H314 PolarHBondContact O-CD2 2.94Å; L310-H314 PolarHBondContact O-N 3.34Å; L311-H314 CarbonylContact O-C 3.33Å; L311-H314 PolarHBondContact O-N 3.03Å; L311-H314 VanDerWaalsContact O-N 3.17Å; L312-H314 VanDerWaalsContact C-N 3.31Å; H314-N398 WeakPolarHBondContact O-CB 3.25Å; H314-H401 AromaticContact CD2-CG 3.77Å; H314-H401 AromaticContact CD2-ND1 3.75Å; H314-H401 AromaticContact CE1-CD2 3.2Å; H314-H401 PolarHBondContact CE1-CD2 3.11Å; H314-H401 AromaticContact CE1-CE1 3.26Å; H314-H401 PolarHBondContact CE1-CE1 3.1Å; H314-H401 AromaticContact CE1-CG 3.36Å; H314-H401 AromaticContact CE1-ND1 3.39Å; H314-H401 PolarHBondContact CE1-ND1 3.09Å; H314-H401 AromaticContact CE1-NE2 3.19Å; H314-H401 PolarHBondContact CE1-NE2 3.16Å; H314-H401 AromaticContact CG-ND1 3.75Å; H314-H401 AromaticContact ND1-CE1 3.34Å; H314-H401 PolarHBondContact ND1-CE1 3.05Å; H314-H401 VanDerWaalsContact ND1-CE1 3.34Å; H314-H401 AromaticContact ND1-CG 3.97Å; H314-H401 AromaticContact ND1-ND1 3.52Å; H314-H401 AromaticContact ND1-NE2 3.72Å; H314-H401 AromaticContact NE2-CD2 3.38Å; H314-H401 PolarHBondContact NE2-CD2 2.88Å; H314-H401 AromaticContact NE2-CE1 3.87Å; H314-H401 AromaticContact NE2-CG 3.19Å; H314-H401 AromaticContact NE2-ND1 3.53Å; H314-H401 AromaticContact NE2-NE2 3.85Å
315G94.4Very high94.8Very high8 Ų836.9 Ų36.98%0.08219%0.186CC..THydrogen-bonded Turntrans86.917.9169.800000115N279 L311 L312 A317N279-G315 PolarHBondContact ND2-O 3.47Å; N279-G315 PolarHBondContact OD1-O 3.38Å; L311-G315 PolarHBondContact O-N 3.17Å; L312-G315 PolarHBondContact O-N 3.32Å; G315-A317 PolarHBondContact O-N 3.42Å
316A96.1Very high94.7Very high8 Ų840.1 Ų40.17%0.06620%0.199CC..PPolyproline II helixtrans-53.7139.3173.800000112A278 N279 L311 R318A278-A316 HydrophobicContact CB-CB 3.94Å; N279-A316 VanDerWaalsContact OD1-CA 3.28Å; N279-A316 WeakPolarHBondContact OD1-CA 3.4Å; L311-A316 VanDerWaalsContact C-CB 3.42Å; L311-A316 HydrophobicContact CB-CB 3.74Å; L311-A316 WeakPolarHBondContact O-CB 3.25Å; L311-A316 PolarHBondContact O-N 3.09Å; A316-R318 PolarHBondContact O-N 3.29Å
317A93.4Very high94.7Very high49 Ų4937.8 Ų37.841%0.40519%0.187SC..PPolyproline II helixtrans-61.7130.2174.500000110.1N279 G315N279-A317 PolarHBondContact OD1-N 3.48Å; G315-A317 PolarHBondContact O-N 3.42Å
318R93Very high94.5Very high131 Ų13137.8 Ų37.849%0.49419%0.187SC..PPolyproline II helixtrans-67.1147176.1-66.7168.2-66.3172.84.4109.9L312 A316 A344 Y345L312-R318 HydrophobicContact CD2-CG 4.09Å; A316-R318 PolarHBondContact O-N 3.29Å; R318-A344 WeakPolarHBondContact CD-O 3.47Å; R318-A344 HydrophobicContact CG-CB 4.25Å; R318-A344 PolarHBondContact NH1-O 2.68Å; R318-Y345 HydrophobicContact CB-CE1 3.93Å
319I92.4Very high94.4Very high18 Ų1843.3 Ų43.39%0.09221%0.213CC..PPolyproline II helixtrans-62.6141.9176-62.6169.8000109.5I289 L293 P321 V327 Y345I289-I319 HydrophobicContact CD1-CG1 4.47Å; L293-I319 HydrophobicContact CD2-CD1 4.19Å; I319-P321 WeakPolarHBondContact O-CD 3.37Å; I319-V327 HydrophobicContact CB-CG2 4.28Å; I319-V327 HydrophobicContact CD1-CG2 3.35Å; I319-V327 HydrophobicContact CG1-CG2 4.39Å; I319-V327 HydrophobicContact CG2-CG2 4.03Å; I319-Y345 VanDerWaalsContact C-OH 3.31Å; I319-Y345 WeakPolarHBondContact CA-OH 3.24Å; I319-Y345 PolarHBondContact N-OH 3.05Å; I319-Y345 WeakPolarHBondContact O-CE1 3.33Å; I319-Y345 PolarHBondContact O-OH 3.03Å
320Y91.2Very high94.2Very high159 Ų15942.4 Ų42.462%0.62421%0.211SC*.PPolyproline II helixtrans-59.5121.9-177.6-177-127.7000111.1P322 Q323 F324Y320-P322 HydrophobicContact CD1-CB 4.12Å; Y320-P322 HydrophobicContact CD1-CG 4.03Å; Y320-P322 HydrophobicContact CE1-CB 3.75Å; Y320-P322 HydrophobicContact CE1-CG 3.45Å; Y320-P322 VanDerWaalsContact CE1-CG 3.45Å; Y320-P322 HydrophobicContact CE2-CG 4.14Å; Y320-Q323 HydrophobicContact CD1-CG 3.96Å; Y320-Q323 WeakPolarHBondContact O-CA 3.25Å; Y320-Q323 PolarHBondContact O-N 3.45Å; Y320-F324 PolarHBondContact O-N 3.36Å
321P91.1Very high94Very high57 Ų5741.4 Ų41.437%0.3721%0.206SC..G310 helixtrans-55-39.4-169.4-22.827.8000115.7I319 Q323 F324 Y345I319-P321 WeakPolarHBondContact O-CD 3.37Å; P321-Q323 PolarHBondContact O-N 2.92Å; P321-F324 WeakPolarHBondContact O-CB 3.43Å; P321-F324 PolarHBondContact O-N 3.4Å; P321-F324 VanDerWaalsContact O-N 3.08Å; P321-Y345 HydrophobicContact CG-CD1 4.21Å; P321-Y345 HydrophobicContact CG-CE1 3.9Å
322P91.1Very high93.8Very high63 Ų6343.5 Ų43.541%0.40922%0.215SC..G310 helixtrans-61.1-24.7174.6-28.939.3000114.6Y320 H325Y320-P322 HydrophobicContact CD1-CB 4.12Å; Y320-P322 HydrophobicContact CD1-CG 4.03Å; Y320-P322 HydrophobicContact CE1-CB 3.75Å; Y320-P322 HydrophobicContact CE1-CG 3.45Å; Y320-P322 VanDerWaalsContact CE1-CG 3.45Å; Y320-P322 HydrophobicContact CE2-CG 4.14Å; P322-H325 PolarHBondContact O-ND1 3.39Å
323Q91.8Very high93.5Very high76 Ų7645.4 Ų45.436%0.35523%0.229SC..G310 helixtrans-94.77.3178.7-63.8-68.2-14.900112.9Y320 P321 H325 K326Y320-Q323 HydrophobicContact CD1-CG 3.96Å; Y320-Q323 WeakPolarHBondContact O-CA 3.25Å; Y320-Q323 PolarHBondContact O-N 3.45Å; P321-Q323 PolarHBondContact O-N 2.92Å; Q323-H325 PolarHBondContact O-N 3.1Å; Q323-H325 VanDerWaalsContact O-N 3.08Å; Q323-H325 PolarHBondContact OE1-CE1 2.92Å; Q323-K326 WeakPolarHBondContact O-CB 3.5Å; Q323-K326 PolarHBondContact O-N 3.47Å; Q323-K326 VanDerWaalsContact OE1-CE 3.26Å
324F94Very high93.4Very high0 Ų046.6 Ų46.60%024%0.238CC..THydrogen-bonded Turntrans-59.5-25.2-177.6-162.3-88000114.1Y320 P321 K326 V327 I328 V341 V342 Y345 I348 W354Y320-F324 PolarHBondContact O-N 3.36Å; P321-F324 WeakPolarHBondContact O-CB 3.43Å; P321-F324 PolarHBondContact O-N 3.4Å; P321-F324 VanDerWaalsContact O-N 3.08Å; F324-K326 PolarHBondContact O-N 3.39Å; F324-K326 VanDerWaalsContact O-N 3.09Å; F324-V327 HydrophobicContact CD1-CB 4.46Å; F324-V327 HydrophobicContact CD2-CG2 4.18Å; F324-V327 HydrophobicContact CE1-CB 4.25Å; F324-V327 HydrophobicContact CE1-CG1 4.49Å; F324-V327 HydrophobicContact CE2-CB 4.37Å; F324-V327 HydrophobicContact CE2-CG1 4.5Å; F324-V327 HydrophobicContact CE2-CG2 4.2Å; F324-V327 HydrophobicContact CG-CG2 4.49Å; F324-V327 HydrophobicContact CZ-CB 4.15Å; F324-V327 HydrophobicContact CZ-CG1 4.09Å; F324-V327 HydrophobicContact CZ-CG2 4.48Å; F324-V327 WeakPolarHBondContact O-CA 3.47Å; F324-V327 VanDerWaalsContact O-CB 3.29Å; F324-V327 WeakPolarHBondContact O-CB 3.11Å; F324-V327 PolarHBondContact O-N 3.38Å; F324-I328 HydrophobicContact CD1-CD1 3.99Å; F324-I328 HydrophobicContact CD1-CG1 4.05Å; F324-I328 HydrophobicContact CE1-CD1 4.14Å; F324-I328 HydrophobicContact CE1-CG1 3.93Å; F324-I328 PolarHBondContact O-N 3.05Å; F324-V341 HydrophobicContact CE2-CG1 3.77Å; F324-V341 HydrophobicContact CZ-CB 4.49Å; F324-V341 HydrophobicContact CZ-CG1 4.18Å; F324-V342 HydrophobicContact CE1-CG2 3.53Å; F324-V342 HydrophobicContact CE2-CG2 4.23Å; F324-V342 HydrophobicContact CZ-CB 4.29Å; F324-V342 HydrophobicContact CZ-CG2 3.24Å; F324-Y345 HydrophobicContact CD2-CE2 4.1Å; F324-Y345 HydrophobicContact CE2-CD2 4.33Å; F324-Y345 AromaticContact CE2-CE2 3.67Å; F324-Y345 HydrophobicContact CE2-CE2 3.67Å; F324-I348 HydrophobicContact CB-CD1 4.02Å; F324-I348 HydrophobicContact CD1-CD1 4.07Å; F324-I348 HydrophobicContact CD2-CD1 3.37Å; F324-I348 HydrophobicContact CE1-CD1 4.47Å; F324-I348 HydrophobicContact CE2-CD1 3.81Å; F324-I348 HydrophobicContact CG-CD1 3.53Å; F324-I348 HydrophobicContact CZ-CD1 4.39Å; F324-W354 HydrophobicContact CB-CZ2 3.66Å; F324-W354 HydrophobicContact CD1-CD2 4.29Å; F324-W354 AromaticContact CD1-CE2 3.63Å; F324-W354 HydrophobicContact CD1-CE3 4.49Å; F324-W354 AromaticContact CD1-CH2 3.44Å; F324-W354 HydrophobicContact CD1-CH2 3.44Å; F324-W354 VanDerWaalsContact CD1-CH2 3.44Å; F324-W354 AromaticContact CD1-CZ2 3.18Å; F324-W354 HydrophobicContact CD1-CZ2 3.18Å; F324-W354 HydrophobicContact CD1-CZ3 4.1Å; F324-W354 AromaticContact CE1-CH2 3.86Å; F324-W354 HydrophobicContact CE1-CH2 3.86Å; F324-W354 HydrophobicContact CE1-CZ2 4.08Å; F324-W354 HydrophobicContact CE1-CZ3 4.29Å; F324-W354 HydrophobicContact CG-CH2 4.13Å; F324-W354 AromaticContact CG-CZ2 3.59Å; F324-W354 HydrophobicContact CG-CZ2 3.59Å
325H94.1Very high93.3Very high30 Ų3046.3 Ų46.314%0.13924%0.239CC..Hα-helixtrans-55.6-26.5172.864.5-80.9000113P322 Q323 I328 Q329 K353P322-H325 PolarHBondContact O-ND1 3.39Å; Q323-H325 PolarHBondContact O-N 3.1Å; Q323-H325 VanDerWaalsContact O-N 3.08Å; Q323-H325 PolarHBondContact OE1-CE1 2.92Å; H325-I328 PolarHBondContact O-N 3.02Å; H325-Q329 WeakPolarHBondContact O-CB 3.28Å; H325-Q329 PolarHBondContact O-N 3.35Å; H325-K353 HydrophobicContact CB-CB 4.01Å
326K93.8Very high93.3Very high104 Ų10451 Ų5145%0.45226%0.256SS..Hα-helixtrans-70-33173.9-64.5-174.2175-177.10112.9Q323 F324 Q329 A330Q323-K326 WeakPolarHBondContact O-CB 3.5Å; Q323-K326 PolarHBondContact O-N 3.47Å; Q323-K326 VanDerWaalsContact OE1-CE 3.26Å; F324-K326 PolarHBondContact O-N 3.39Å; F324-K326 VanDerWaalsContact O-N 3.09Å; K326-Q329 PolarHBondContact O-N 2.82Å; K326-A330 WeakPolarHBondContact O-CB 3.46Å; K326-A330 PolarHBondContact O-N 3.38Å
327V94.9Very high93.3Very high0 Ų050.6 Ų50.60%025%0.253CS..Hα-helixtrans-62.3-48.4172.8-175.80000109.7L293 I319 F324 Q329 A330 C331 V341L293-V327 HydrophobicContact CD1-CB 4.39Å; L293-V327 HydrophobicContact CD1-CG2 4.27Å; I319-V327 HydrophobicContact CB-CG2 4.28Å; I319-V327 HydrophobicContact CD1-CG2 3.35Å; I319-V327 HydrophobicContact CG1-CG2 4.39Å; I319-V327 HydrophobicContact CG2-CG2 4.03Å; F324-V327 HydrophobicContact CD1-CB 4.46Å; F324-V327 HydrophobicContact CD2-CG2 4.18Å; F324-V327 HydrophobicContact CE1-CB 4.25Å; F324-V327 HydrophobicContact CE1-CG1 4.49Å; F324-V327 HydrophobicContact CE2-CB 4.37Å; F324-V327 HydrophobicContact CE2-CG1 4.5Å; F324-V327 HydrophobicContact CE2-CG2 4.2Å; F324-V327 HydrophobicContact CG-CG2 4.49Å; F324-V327 HydrophobicContact CZ-CB 4.15Å; F324-V327 HydrophobicContact CZ-CG1 4.09Å; F324-V327 HydrophobicContact CZ-CG2 4.48Å; F324-V327 WeakPolarHBondContact O-CA 3.47Å; F324-V327 VanDerWaalsContact O-CB 3.29Å; F324-V327 WeakPolarHBondContact O-CB 3.11Å; F324-V327 PolarHBondContact O-N 3.38Å; V327-Q329 VanDerWaalsContact C-N 3.34Å; V327-Q329 PolarHBondContact O-N 3.18Å; V327-A330 PolarHBondContact O-N 2.89Å; V327-C331 VanDerWaalsContact O-CB 3.27Å; V327-C331 WeakPolarHBondContact O-CB 3.48Å; V327-C331 PolarHBondContact O-N 2.68Å; V327-C331 PolarHBondContact O-SG 2.75Å; V327-C331 VanDerWaalsContact O-SG 3.39Å; V327-V341 HydrophobicContact CG1-CB 4.34Å; V327-V341 HydrophobicContact CG1-CG1 4.23Å; V327-V341 HydrophobicContact CG1-CG2 4.45Å
328I94.8Very high93.4Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-61.6-45.3177.3-63.4176000110.4F324 H325 A330 C331 H332 I338 W354 A357 I358 L373F324-I328 HydrophobicContact CD1-CD1 3.99Å; F324-I328 HydrophobicContact CD1-CG1 4.05Å; F324-I328 HydrophobicContact CE1-CD1 4.14Å; F324-I328 HydrophobicContact CE1-CG1 3.93Å; F324-I328 PolarHBondContact O-N 3.05Å; H325-I328 PolarHBondContact O-N 3.02Å; I328-A330 VanDerWaalsContact C-N 3.29Å; I328-A330 PolarHBondContact O-N 3.06Å; I328-C331 PolarHBondContact O-N 3.15Å; I328-H332 WeakPolarHBondContact O-CA 3.42Å; I328-H332 WeakPolarHBondContact O-CB 3.34Å; I328-H332 PolarHBondContact O-N 3.08Å; I328-I338 HydrophobicContact CG1-CD1 4.5Å; I328-W354 HydrophobicContact CD1-CB 3.64Å; I328-W354 HydrophobicContact CD1-CD2 3.24Å; I328-W354 HydrophobicContact CD1-CE3 3.25Å; I328-W354 HydrophobicContact CD1-CG 3.46Å; I328-W354 VanDerWaalsContact CD1-CG 3.46Å; I328-W354 HydrophobicContact CD1-CZ3 3.99Å; I328-A357 HydrophobicContact CB-CB 4.35Å; I328-A357 HydrophobicContact CG2-CB 4.05Å; I328-I358 HydrophobicContact CG2-CD1 3.83Å; I328-I358 HydrophobicContact CG2-CG1 3.25Å; I328-L373 HydrophobicContact CD1-CD2 4.48Å
329Q94.3Very high93.5Very high115 Ų11542.2 Ų42.254%0.53721%0.211SC..Hα-helixtrans-60.8-36177.7-170.1-179.23.500113.1H325 K326 V327 H332 A357H325-Q329 WeakPolarHBondContact O-CB 3.28Å; H325-Q329 PolarHBondContact O-N 3.35Å; K326-Q329 PolarHBondContact O-N 2.82Å; V327-Q329 VanDerWaalsContact C-N 3.34Å; V327-Q329 PolarHBondContact O-N 3.18Å; Q329-H332 PolarHBondContact O-CD2 3.46Å; Q329-A357 HydrophobicContact CB-CB 4.01Å
330A93.1Very high93.6Very high13 Ų1341.3 Ų41.311%0.10721%0.207CC..Hα-helixtrans-82.6-29179.900000113L293 K326 V327 I328L293-A330 HydrophobicContact CD1-CB 3.48Å; L293-A330 VanDerWaalsContact CD1-CB 3.48Å; L293-A330 HydrophobicContact CG-CB 4.22Å; L293-A330 WeakPolarHBondContact O-CB 3.18Å; K326-A330 WeakPolarHBondContact O-CB 3.46Å; K326-A330 PolarHBondContact O-N 3.38Å; V327-A330 PolarHBondContact O-N 2.89Å; I328-A330 VanDerWaalsContact C-N 3.29Å; I328-A330 PolarHBondContact O-N 3.06Å
331C93.9Very high93.8Very high0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-115.716.3-169.6-53.60000113.2V327 I328 S333 C334 A337 I338V327-C331 VanDerWaalsContact O-CB 3.27Å; V327-C331 WeakPolarHBondContact O-CB 3.48Å; V327-C331 PolarHBondContact O-N 2.68Å; V327-C331 PolarHBondContact O-SG 2.75Å; V327-C331 VanDerWaalsContact O-SG 3.39Å; I328-C331 PolarHBondContact O-N 3.15Å; C331-S333 PolarHBondContact O-N 3.41Å; C331-S333 VanDerWaalsContact O-N 3.12Å; C331-C334 CarbonylContact O-C 3.56Å; C331-C334 WeakPolarHBondContact O-CA 3.32Å; C331-C334 PolarHBondContact O-N 3.39Å; C331-A337 HydrophobicContact CB-CB 4.3Å; C331-I338 HydrophobicContact CB-CD1 4.31Å; C331-I338 HydrophobicContact CB-CG1 3.71Å; C331-I338 WeakPolarHBondContact O-CD1 3.14Å
332H92.9Very high94Very high43 Ų4331.1 Ų31.120%0.19916%0.16CC..THydrogen-bonded Turntrans-59.6-28.7-173.159.775.2000113.3I328 Q329 I358 D362 Y370I328-H332 WeakPolarHBondContact O-CA 3.42Å; I328-H332 WeakPolarHBondContact O-CB 3.34Å; I328-H332 PolarHBondContact O-N 3.08Å; Q329-H332 PolarHBondContact O-CD2 3.46Å; H332-I358 HydrophobicContact CB-CG2 4.42Å; H332-D362 IonicContact CE1-OD2 3.82Å; H332-D362 PolarHBondContact CE1-OD2 3.04Å; H332-D362 IonicContact CG-OD2 2.75Å; H332-D362 IonicContact ND1-OD2 3.42Å; H332-D362 PolarHBondContact ND1-OD2 3.13Å; H332-Y370 VanDerWaalsContact C-OH 3.32Å; H332-Y370 WeakPolarHBondContact CA-OH 3.3Å; H332-Y370 PolarHBondContact O-OH 3.21Å
333S91.6Very high94.1Very high48 Ų4828.6 Ų28.634%0.33614%0.143SC..THydrogen-bonded Turntrans-82.9-10.9176.253.90000113.7C331 P335 Y366C331-S333 PolarHBondContact O-N 3.41Å; C331-S333 VanDerWaalsContact O-N 3.12Å; S333-P335 WeakPolarHBondContact O-CD 3.26Å; S333-Y366 PolarHBondContact O-OH 2.92Å
334C93.3Very high94.1Very high35 Ų3525.5 Ų25.524%0.23613%0.13CC..  trans-123.574.1-176.9-59.30000111.6P304 C331 K336 A337 I338P304-C334 HydrophobicContact CG-CB 4.05Å; C331-C334 CarbonylContact O-C 3.56Å; C331-C334 WeakPolarHBondContact O-CA 3.32Å; C331-C334 PolarHBondContact O-N 3.39Å; C334-K336 VanDerWaalsContact C-N 3.26Å; C334-K336 PolarHBondContact O-N 3.02Å; C334-K336 VanDerWaalsContact O-N 3.16Å; C334-A337 HydrophobicContact CB-CB 4.13Å; C334-A337 WeakPolarHBondContact O-CB 3.13Å; C334-A337 PolarHBondContact O-N 2.8Å; C334-I338 PolarHBondContact O-N 3.41Å
335P93.8Very high94Very high16 Ų1625.8 Ų25.810%0.10413%0.131CC..Hα-helixtrans-51.1-39.8-179.5-30.936.3000114.9S333 A337 I338 E339 Y366 F369S333-P335 WeakPolarHBondContact O-CD 3.26Å; P335-A337 VanDerWaalsContact C-N 3.27Å; P335-A337 PolarHBondContact O-N 3.46Å; P335-I338 WeakPolarHBondContact O-CB 2.99Å; P335-I338 PolarHBondContact O-N 2.85Å; P335-I338 VanDerWaalsContact O-N 3.09Å; P335-E339 PolarHBondContact O-N 3.45Å; P335-Y366 HydrophobicContact CG-CD1 3.7Å; P335-Y366 HydrophobicContact CG-CD2 3.65Å; P335-Y366 HydrophobicContact CG-CE1 4.07Å; P335-Y366 HydrophobicContact CG-CE2 4.01Å; P335-Y366 HydrophobicContact CG-CG 3.47Å; P335-Y366 VanDerWaalsContact CG-CG 3.47Å; P335-F369 HydrophobicContact CB-CB 4.38Å; P335-F369 HydrophobicContact CB-CD1 3.63Å; P335-F369 HydrophobicContact CB-CD2 4.02Å; P335-F369 HydrophobicContact CB-CE1 3.81Å; P335-F369 HydrophobicContact CB-CE2 4.2Å; P335-F369 HydrophobicContact CB-CG 3.72Å; P335-F369 HydrophobicContact CB-CZ 4.1Å; P335-F369 HydrophobicContact CG-CD1 4.32Å; P335-F369 WeakPolarHBondContact O-CZ 3.19Å
336K94.8Very high93.8Very high105 Ų10526.9 Ų26.946%0.45714%0.137SC..Hα-helixtrans-58.4-37.4178.1-66.4-176179.9-178.80112.4E305 C334 E339 V340 P421E305-K336 HydrophobicContact CB-CB 3.89Å; E305-K336 HydrophobicContact CG-CB 4.06Å; C334-K336 VanDerWaalsContact C-N 3.26Å; C334-K336 PolarHBondContact O-N 3.02Å; C334-K336 VanDerWaalsContact O-N 3.16Å; K336-E339 WeakPolarHBondContact O-CB 3.35Å; K336-E339 PolarHBondContact O-N 3.3Å; K336-V340 VanDerWaalsContact O-CG2 3.28Å; K336-V340 WeakPolarHBondContact O-CG2 3.24Å; K336-V340 PolarHBondContact O-N 2.93Å; K336-P421 HydrophobicContact CB-CB 3.87Å; K336-P421 HydrophobicContact CB-CG 4Å; K336-P421 HydrophobicContact CD-CG 4.3Å; K336-P421 HydrophobicContact CG-CB 4.14Å; K336-P421 HydrophobicContact CG-CG 4.36Å
337A95.3Very high93.5Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-67.4-42.1176.900000111.1P304 E305 Y308 C331 C334 P335 E339 V340 V341P304-A337 HydrophobicContact CB-CB 4.18Å; P304-A337 HydrophobicContact CG-CB 4.12Å; E305-A337 HydrophobicContact CB-CB 4.17Å; Y308-A337 HydrophobicContact CD2-CB 3.91Å; Y308-A337 HydrophobicContact CE2-CB 4.07Å; C331-A337 HydrophobicContact CB-CB 4.3Å; C334-A337 HydrophobicContact CB-CB 4.13Å; C334-A337 WeakPolarHBondContact O-CB 3.13Å; C334-A337 PolarHBondContact O-N 2.8Å; P335-A337 VanDerWaalsContact C-N 3.27Å; P335-A337 PolarHBondContact O-N 3.46Å; A337-E339 VanDerWaalsContact C-N 3.31Å; A337-E339 PolarHBondContact O-N 3.49Å; A337-V340 PolarHBondContact O-N 2.82Å; A337-V341 VanDerWaalsContact O-CG2 3.3Å; A337-V341 WeakPolarHBondContact O-CG2 3.26Å; A337-V341 PolarHBondContact O-N 3.34Å; A337-V341 VanDerWaalsContact O-N 3.17Å
338I95.4Very high93.3Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-60.4-45173.9-59.9175000109.7I328 C331 C334 P335 V340 V341 V342 F369 Y370 L373I328-I338 HydrophobicContact CG1-CD1 4.5Å; C331-I338 HydrophobicContact CB-CD1 4.31Å; C331-I338 HydrophobicContact CB-CG1 3.71Å; C331-I338 WeakPolarHBondContact O-CD1 3.14Å; C334-I338 PolarHBondContact O-N 3.41Å; P335-I338 WeakPolarHBondContact O-CB 2.99Å; P335-I338 PolarHBondContact O-N 2.85Å; P335-I338 VanDerWaalsContact O-N 3.09Å; I338-V340 PolarHBondContact O-N 3.21Å; I338-V341 PolarHBondContact O-N 2.64Å; I338-V342 HydrophobicContact CG2-CG2 3.8Å; I338-V342 VanDerWaalsContact O-CB 3.26Å; I338-V342 WeakPolarHBondContact O-CB 3.45Å; I338-V342 WeakPolarHBondContact O-CG2 3.49Å; I338-V342 PolarHBondContact O-N 3.5Å; I338-F369 HydrophobicContact CB-CE1 4.12Å; I338-F369 HydrophobicContact CB-CZ 3.93Å; I338-F369 HydrophobicContact CD1-CE1 4.43Å; I338-F369 HydrophobicContact CG2-CE1 4.14Å; I338-F369 HydrophobicContact CG2-CZ 3.99Å; I338-Y370 HydrophobicContact CD1-CE1 4.07Å; I338-L373 HydrophobicContact CG2-CD2 4.11Å
339E95.6Very high93.1Very high4 Ų434.5 Ų34.52%0.01917%0.167CC..Hα-helixtrans-54.7-53.1178-168.1-169.5149.100112.1P335 K336 A337 V341 V342 N343 F369 P421 E422 G423 I425P335-E339 PolarHBondContact O-N 3.45Å; K336-E339 WeakPolarHBondContact O-CB 3.35Å; K336-E339 PolarHBondContact O-N 3.3Å; A337-E339 VanDerWaalsContact C-N 3.31Å; A337-E339 PolarHBondContact O-N 3.49Å; E339-V341 VanDerWaalsContact C-N 3.32Å; E339-V341 PolarHBondContact O-N 3.38Å; E339-V342 PolarHBondContact O-N 3.04Å; E339-N343 WeakPolarHBondContact O-CB 3.19Å; E339-N343 PolarHBondContact O-N 3.01Å; E339-N343 PolarHBondContact O-ND2 3.26Å; E339-F369 HydrophobicContact CB-CE2 3.9Å; E339-F369 HydrophobicContact CB-CZ 4.27Å; E339-F369 HydrophobicContact CG-CE2 4.39Å; E339-P421 HydrophobicContact CB-CB 4.48Å; E339-P421 WeakPolarHBondContact OE1-CA 3.48Å; E339-P421 WeakPolarHBondContact OE2-CB 3.39Å; E339-E422 PolarHBondContact OE1-N 3.14Å; E339-E422 PolarHBondContact OE2-N 3.03Å; E339-G423 VanDerWaalsContact OE2-CA 3.26Å; E339-G423 WeakPolarHBondContact OE2-CA 3.41Å; E339-G423 PolarHBondContact OE2-N 3.11Å; E339-I425 HydrophobicContact CG-CG1 3.94Å
340V96Very high92.9Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-54-50178.9170.90000110.7E305 Q309 L312 K336 A337 I338 N343 L419 P421E305-V340 HydrophobicContact CB-CG2 4.25Å; Q309-V340 HydrophobicContact CB-CG1 3.91Å; L312-V340 HydrophobicContact CD1-CG1 4.11Å; K336-V340 VanDerWaalsContact O-CG2 3.28Å; K336-V340 WeakPolarHBondContact O-CG2 3.24Å; K336-V340 PolarHBondContact O-N 2.93Å; A337-V340 PolarHBondContact O-N 2.82Å; I338-V340 PolarHBondContact O-N 3.21Å; V340-N343 PolarHBondContact O-N 3.2Å; V340-L419 HydrophobicContact CG1-CB 4.23Å; V340-L419 HydrophobicContact CG1-CD1 4.44Å; V340-L419 WeakPolarHBondContact CG2-O 3.47Å; V340-P421 HydrophobicContact CG2-CB 4.05Å; V340-P421 HydrophobicContact CG2-CG 4.02Å
341V95.3Very high92.7Very high1 Ų135.3 Ų35.31%0.00617%0.166CC..Hα-helixtrans-69.8-46.6-175.5-175.90000110.6Y308 F324 V327 A337 I338 E339 N343 A344 Y345Y308-V341 HydrophobicContact CD1-CG2 3.67Å; Y308-V341 HydrophobicContact CD2-CG2 3.92Å; Y308-V341 HydrophobicContact CE1-CG2 4.21Å; Y308-V341 HydrophobicContact CE2-CG2 4.44Å; Y308-V341 HydrophobicContact CG-CG2 3.52Å; F324-V341 HydrophobicContact CE2-CG1 3.77Å; F324-V341 HydrophobicContact CZ-CB 4.49Å; F324-V341 HydrophobicContact CZ-CG1 4.18Å; V327-V341 HydrophobicContact CG1-CB 4.34Å; V327-V341 HydrophobicContact CG1-CG1 4.23Å; V327-V341 HydrophobicContact CG1-CG2 4.45Å; A337-V341 VanDerWaalsContact O-CG2 3.3Å; A337-V341 WeakPolarHBondContact O-CG2 3.26Å; A337-V341 PolarHBondContact O-N 3.34Å; A337-V341 VanDerWaalsContact O-N 3.17Å; I338-V341 PolarHBondContact O-N 2.64Å; E339-V341 VanDerWaalsContact C-N 3.32Å; E339-V341 PolarHBondContact O-N 3.38Å; V341-N343 VanDerWaalsContact C-N 3.26Å; V341-N343 PolarHBondContact O-N 2.74Å; V341-A344 WeakPolarHBondContact O-CB 3.33Å; V341-A344 PolarHBondContact O-N 3.18Å; V341-A344 VanDerWaalsContact O-N 3.13Å; V341-Y345 HydrophobicContact CG1-CE2 4.13Å; V341-Y345 WeakPolarHBondContact O-CD2 3.47Å; V341-Y345 WeakPolarHBondContact O-CE2 3.48Å
342V94.1Very high92.5Very high0 Ų039.6 Ų39.60%019%0.192CC..Hα-helixtrans-58-40.5177.5166.90000111.4F324 I338 E339 A344 Y345 I348 L373 I425F324-V342 HydrophobicContact CE1-CG2 3.53Å; F324-V342 HydrophobicContact CE2-CG2 4.23Å; F324-V342 HydrophobicContact CZ-CB 4.29Å; F324-V342 HydrophobicContact CZ-CG2 3.24Å; I338-V342 HydrophobicContact CG2-CG2 3.8Å; I338-V342 VanDerWaalsContact O-CB 3.26Å; I338-V342 WeakPolarHBondContact O-CB 3.45Å; I338-V342 WeakPolarHBondContact O-CG2 3.49Å; I338-V342 PolarHBondContact O-N 3.5Å; E339-V342 PolarHBondContact O-N 3.04Å; V342-A344 PolarHBondContact O-N 3.37Å; V342-Y345 PolarHBondContact O-N 3.49Å; V342-Y345 VanDerWaalsContact O-N 3.08Å; V342-I348 HydrophobicContact CG1-CG2 4.42Å; V342-L373 HydrophobicContact CB-CD1 4.43Å; V342-L373 HydrophobicContact CG1-CD1 4.02Å; V342-L373 HydrophobicContact CG2-CD1 3.75Å; V342-I425 HydrophobicContact CG1-CD1 4.25Å
343N93.3Very high92.6Very high11 Ų1143.1 Ų43.16%0.05921%0.207CC..THydrogen-bonded Turntrans-67.3-13.4-178.8-83.3-19.3000114.1E339 V340 V341 Y345 R382 R389 L419E339-N343 WeakPolarHBondContact O-CB 3.19Å; E339-N343 PolarHBondContact O-N 3.01Å; E339-N343 PolarHBondContact O-ND2 3.26Å; V340-N343 PolarHBondContact O-N 3.2Å; V341-N343 VanDerWaalsContact C-N 3.26Å; V341-N343 PolarHBondContact O-N 2.74Å; N343-Y345 VanDerWaalsContact C-N 3.3Å; N343-R382 PolarHBondContact OD1-NH1 3.39Å; N343-R382 VanDerWaalsContact OD1-NH1 3.12Å; N343-R389 VanDerWaalsContact CB-NH2 3.28Å; N343-R389 VanDerWaalsContact CG-NH1 3.33Å; N343-R389 PolarHBondContact ND2-NH1 3.39Å; N343-R389 PolarHBondContact O-NH2 3.39Å; N343-R389 PolarHBondContact OD1-NH2 3.12Å; N343-L419 HydrophobicContact CB-CD2 3.78Å
344A92.9Very high92.6Very high10 Ų1040.9 Ų40.98%0.08319%0.191CC..THydrogen-bonded Turntrans-80.7-6.6172.500000114L312 R318 V341 V342 L419L312-A344 HydrophobicContact CD1-CB 4.03Å; L312-A344 HydrophobicContact CD2-CB 4.19Å; R318-A344 WeakPolarHBondContact CD-O 3.47Å; R318-A344 HydrophobicContact CG-CB 4.25Å; R318-A344 PolarHBondContact NH1-O 2.68Å; V341-A344 WeakPolarHBondContact O-CB 3.33Å; V341-A344 PolarHBondContact O-N 3.18Å; V341-A344 VanDerWaalsContact O-N 3.13Å; V342-A344 PolarHBondContact O-N 3.37Å; A344-L419 HydrophobicContact CB-CD1 4.22Å
345Y92Very high92.6Very high6 Ų644 Ų442%0.02420%0.198CC..  trans-101.4131.3179.3-61.9-96.9000111.2R318 I319 P321 F324 V341 V342 N343 I348 H386R318-Y345 HydrophobicContact CB-CE1 3.93Å; I319-Y345 VanDerWaalsContact C-OH 3.31Å; I319-Y345 WeakPolarHBondContact CA-OH 3.24Å; I319-Y345 PolarHBondContact N-OH 3.05Å; I319-Y345 WeakPolarHBondContact O-CE1 3.33Å; I319-Y345 PolarHBondContact O-OH 3.03Å; P321-Y345 HydrophobicContact CG-CD1 4.21Å; P321-Y345 HydrophobicContact CG-CE1 3.9Å; F324-Y345 HydrophobicContact CD2-CE2 4.1Å; F324-Y345 HydrophobicContact CE2-CD2 4.33Å; F324-Y345 AromaticContact CE2-CE2 3.67Å; F324-Y345 HydrophobicContact CE2-CE2 3.67Å; V341-Y345 HydrophobicContact CG1-CE2 4.13Å; V341-Y345 WeakPolarHBondContact O-CD2 3.47Å; V341-Y345 WeakPolarHBondContact O-CE2 3.48Å; V342-Y345 PolarHBondContact O-N 3.49Å; V342-Y345 VanDerWaalsContact O-N 3.08Å; N343-Y345 VanDerWaalsContact C-N 3.3Å; Y345-I348 HydrophobicContact CD1-CD1 4.31Å; Y345-I348 HydrophobicContact CD2-CD1 4.18Å; Y345-I348 HydrophobicContact CE2-CD1 4.44Å; Y345-I348 HydrophobicContact CG-CB 4.4Å; Y345-I348 HydrophobicContact CG-CD1 4.12Å; Y345-H386 PolarHBondContact O-CE1 2.95Å; Y345-H386 PolarHBondContact O-NE2 3.31Å
346E89.7Confident92.6Very high54 Ų5453 Ų5325%0.25223%0.23SC..SBendtrans-67.3-47.8171.7-172.2179.2-164.300110.6H386 L387 C390 R394E346-H386 PolarHBondContact O-NE2 3.38Å; E346-L387 HydrophobicContact CG-CD2 3.59Å; E346-C390 HydrophobicContact CB-CB 4.12Å; E346-C390 HydrophobicContact CG-CB 4.33Å; E346-R394 IonicContact OE2-CZ 3.61Å; E346-R394 IonicContact OE2-NH1 3.69Å; E346-R394 IonicContact OE2-NH2 2.64Å; E346-R394 PolarHBondContact OE2-NH2 3.34Å
347H87.6Confident92.5Very high81 Ų8148.8 Ų48.838%0.37522%0.215SC..SBendtrans-131.3127176.7-55.5-61.4000109.7
348I89.9Confident92.5Very high10 Ų1049.2 Ų49.25%0.05122%0.217CC..  trans-144.6138.3170.7-163.4165.6000109.2F324 V342 Y345 W354 C377F324-I348 HydrophobicContact CB-CD1 4.02Å; F324-I348 HydrophobicContact CD1-CD1 4.07Å; F324-I348 HydrophobicContact CD2-CD1 3.37Å; F324-I348 HydrophobicContact CE1-CD1 4.47Å; F324-I348 HydrophobicContact CE2-CD1 3.81Å; F324-I348 HydrophobicContact CG-CD1 3.53Å; F324-I348 HydrophobicContact CZ-CD1 4.39Å; V342-I348 HydrophobicContact CG1-CG2 4.42Å; Y345-I348 HydrophobicContact CD1-CD1 4.31Å; Y345-I348 HydrophobicContact CD2-CD1 4.18Å; Y345-I348 HydrophobicContact CE2-CD1 4.44Å; Y345-I348 HydrophobicContact CG-CB 4.4Å; Y345-I348 HydrophobicContact CG-CD1 4.12Å; I348-W354 HydrophobicContact CD1-CH2 3.75Å; I348-W354 HydrophobicContact CD1-CZ2 3.72Å; I348-W354 HydrophobicContact CG1-CH2 3.82Å; I348-W354 HydrophobicContact CG1-CZ2 3.79Å; I348-W354 HydrophobicContact CG2-CH2 4.28Å; I348-C377 HydrophobicContact CG2-CB 4.24Å; I348-C377 CarbonylContact O-C 3.48Å; I348-C377 WeakPolarHBondContact O-CA 3.17Å
349R89.5Confident92.5Very high173 Ų17351.7 Ų51.765%0.65323%0.233SC*.BIsolated β-bridgetrans-114.2124-178.7-171.3-176.9174.3177.40.9109.5C377 N379R349-C377 WeakPolarHBondContact CA-O 3.17Å; R349-N379 HydrophobicContact CB-CB 4.01Å; R349-N379 HydrophobicContact CG-CB 4.12Å
350W90.3Very high92.4Very high89 Ų8956.7 Ų56.734%0.33726%0.26SS..  trans-71.5154.9171.882.9-92.5000110.7W354 R355 F374 C377W350-W354 HydrophobicContact CB-CD2 3.7Å; W350-W354 HydrophobicContact CB-CE3 3.34Å; W350-W354 HydrophobicContact CB-CG 4.29Å; W350-W354 HydrophobicContact CB-CH2 4.35Å; W350-W354 HydrophobicContact CB-CZ3 3.72Å; W350-R355 HydrophobicContact CZ3-CB 4.47Å; W350-F374 HydrophobicContact CB-CD1 4.01Å; W350-F374 HydrophobicContact CB-CE1 4.46Å; W350-F374 VanDerWaalsContact CD1-O 3.24Å; W350-F374 AromaticContact CD2-CD1 3.71Å; W350-F374 HydrophobicContact CD2-CD1 3.71Å; W350-F374 HydrophobicContact CD2-CE1 4.33Å; W350-F374 HydrophobicContact CD2-CG 4.43Å; W350-F374 AromaticContact CE3-CD1 3.85Å; W350-F374 HydrophobicContact CE3-CD1 3.85Å; W350-F374 HydrophobicContact CE3-CE1 4.04Å; W350-F374 AromaticContact CG-CD1 3.77Å; W350-F374 HydrophobicContact CG-CD1 3.77Å; W350-F374 PolarHBondContact NE1-O 3.07Å; W350-C377 HydrophobicContact CB-CB 4.19Å; W350-C377 VanDerWaalsContact CD1-O 3.26Å; W350-C377 PolarHBondContact N-O 3.23Å
351N89.6Confident92.3Very high56 Ų5662.9 Ų62.930%0.29929%0.293SS..  trans-141173.5175.463.632.6000110.7K353 W354N351-K353 PolarHBondContact O-N 3.42Å; N351-K353 WeakPolarHBondContact OD1-CA 3.49Å; N351-K353 WeakPolarHBondContact OD1-CB 3.23Å; N351-K353 PolarHBondContact OD1-N 2.86Å; N351-W354 VanDerWaalsContact O-CB 3.31Å; N351-W354 WeakPolarHBondContact O-CB 3.5Å; N351-W354 PolarHBondContact O-N 3.41Å; N351-W354 PolarHBondContact OD1-N 3.32Å
352T90.6Very high92.1Very high90 Ų9064.2 Ų64.255%0.55230%0.3SS*.Hα-helixtrans-58.7-23.3-179.254.10000113.6W354 R355 R356T352-W354 VanDerWaalsContact C-N 3.34Å; T352-R355 PolarHBondContact O-N 3.21Å; T352-R356 WeakPolarHBondContact O-CG 3.46Å; T352-R356 PolarHBondContact O-N 3.01Å; T352-R356 VanDerWaalsContact O-N 3.14Å
353K93.2Very high92Very high116 Ų11664.5 Ų64.550%0.50430%0.302SS..Hα-helixtrans-68.3-32.4174.2-53.9-178.3176-178.90112.2H325 N351 R356 A357H325-K353 HydrophobicContact CB-CB 4.01Å; N351-K353 PolarHBondContact O-N 3.42Å; N351-K353 WeakPolarHBondContact OD1-CA 3.49Å; N351-K353 WeakPolarHBondContact OD1-CB 3.23Å; N351-K353 PolarHBondContact OD1-N 2.86Å; K353-R356 PolarHBondContact O-N 3.32Å; K353-A357 WeakPolarHBondContact O-CB 3.21Å; K353-A357 PolarHBondContact O-N 3.38Å; K353-A357 VanDerWaalsContact O-N 3.09Å
354W93.6Very high92Very high1 Ų171 Ų710%0.00433%0.331CS..Hα-helixtrans-62.3-47.8174.8-70.328.6000110.3F324 I328 I348 W350 N351 T352 R356 A357 L373 F374 C377F324-W354 HydrophobicContact CB-CZ2 3.66Å; F324-W354 HydrophobicContact CD1-CD2 4.29Å; F324-W354 AromaticContact CD1-CE2 3.63Å; F324-W354 HydrophobicContact CD1-CE3 4.49Å; F324-W354 AromaticContact CD1-CH2 3.44Å; F324-W354 HydrophobicContact CD1-CH2 3.44Å; F324-W354 VanDerWaalsContact CD1-CH2 3.44Å; F324-W354 AromaticContact CD1-CZ2 3.18Å; F324-W354 HydrophobicContact CD1-CZ2 3.18Å; F324-W354 HydrophobicContact CD1-CZ3 4.1Å; F324-W354 AromaticContact CE1-CH2 3.86Å; F324-W354 HydrophobicContact CE1-CH2 3.86Å; F324-W354 HydrophobicContact CE1-CZ2 4.08Å; F324-W354 HydrophobicContact CE1-CZ3 4.29Å; F324-W354 HydrophobicContact CG-CH2 4.13Å; F324-W354 AromaticContact CG-CZ2 3.59Å; F324-W354 HydrophobicContact CG-CZ2 3.59Å; I328-W354 HydrophobicContact CD1-CB 3.64Å; I328-W354 HydrophobicContact CD1-CD2 3.24Å; I328-W354 HydrophobicContact CD1-CE3 3.25Å; I328-W354 HydrophobicContact CD1-CG 3.46Å; I328-W354 VanDerWaalsContact CD1-CG 3.46Å; I328-W354 HydrophobicContact CD1-CZ3 3.99Å; I348-W354 HydrophobicContact CD1-CH2 3.75Å; I348-W354 HydrophobicContact CD1-CZ2 3.72Å; I348-W354 HydrophobicContact CG1-CH2 3.82Å; I348-W354 HydrophobicContact CG1-CZ2 3.79Å; I348-W354 HydrophobicContact CG2-CH2 4.28Å; W350-W354 HydrophobicContact CB-CD2 3.7Å; W350-W354 HydrophobicContact CB-CE3 3.34Å; W350-W354 HydrophobicContact CB-CG 4.29Å; W350-W354 HydrophobicContact CB-CH2 4.35Å; W350-W354 HydrophobicContact CB-CZ3 3.72Å; N351-W354 VanDerWaalsContact O-CB 3.31Å; N351-W354 WeakPolarHBondContact O-CB 3.5Å; N351-W354 PolarHBondContact O-N 3.41Å; N351-W354 PolarHBondContact OD1-N 3.32Å; T352-W354 VanDerWaalsContact C-N 3.34Å; W354-R356 VanDerWaalsContact C-N 3.33Å; W354-R356 PolarHBondContact O-N 3.45Å; W354-A357 WeakPolarHBondContact O-CB 3.36Å; W354-A357 PolarHBondContact O-N 3.05Å; W354-A357 VanDerWaalsContact O-N 3.09Å; W354-L373 HydrophobicContact CE3-CD2 4.41Å; W354-L373 HydrophobicContact CZ3-CD1 4.23Å; W354-L373 HydrophobicContact CZ3-CD2 4.33Å; W354-L373 HydrophobicContact CZ3-CG 4.26Å; W354-F374 HydrophobicContact CB-CE1 4.14Å; W354-F374 HydrophobicContact CE3-CE1 4.32Å; W354-C377 HydrophobicContact CH2-CB 4.41Å; W354-C377 HydrophobicContact CZ3-CB 4.17Å
355R92.1Very high92.1Very high101 Ų10177.3 Ų77.338%0.38136%0.357SS..Hα-helixtrans-61.4-40.9178.4179.857.5179.4-145.1-2.7112.3W350 T352 A357 I358W350-R355 HydrophobicContact CZ3-CB 4.47Å; T352-R355 PolarHBondContact O-N 3.21Å; R355-A357 PolarHBondContact O-N 2.81Å; R355-I358 PolarHBondContact O-N 3.01Å
356R93.9Very high92.2Very high206 Ų20680.2 Ų80.278%0.77737%0.369SS*.Hα-helixtrans-68.7-19.8176.6-69.9178-171.7171.52113.8T352 K353 W354 I358T352-R356 WeakPolarHBondContact O-CG 3.46Å; T352-R356 PolarHBondContact O-N 3.01Å; T352-R356 VanDerWaalsContact O-N 3.14Å; K353-R356 PolarHBondContact O-N 3.32Å; W354-R356 VanDerWaalsContact C-N 3.33Å; W354-R356 PolarHBondContact O-N 3.45Å; R356-I358 VanDerWaalsContact C-N 3.29Å
357A93.8Very high92.3Very high16 Ų1683.4 Ų83.413%0.13238%0.378CS..THydrogen-bonded Turntrans-81.7-8.2-179.200000113.3I328 Q329 K353 W354 R355I328-A357 HydrophobicContact CB-CB 4.35Å; I328-A357 HydrophobicContact CG2-CB 4.05Å; Q329-A357 HydrophobicContact CB-CB 4.01Å; K353-A357 WeakPolarHBondContact O-CB 3.21Å; K353-A357 PolarHBondContact O-N 3.38Å; K353-A357 VanDerWaalsContact O-N 3.09Å; W354-A357 WeakPolarHBondContact O-CB 3.36Å; W354-A357 PolarHBondContact O-N 3.05Å; W354-A357 VanDerWaalsContact O-N 3.09Å; R355-A357 PolarHBondContact O-N 2.81Å
358I94.8Very high92.6Very high8 Ų885.8 Ų85.84%0.04139%0.394CS..SBendtrans-108122-176.5-53160.4000108.3I328 H332 R355 R356 D362 L363 Y370 F374I328-I358 HydrophobicContact CG2-CD1 3.83Å; I328-I358 HydrophobicContact CG2-CG1 3.25Å; H332-I358 HydrophobicContact CB-CG2 4.42Å; R355-I358 PolarHBondContact O-N 3.01Å; R356-I358 VanDerWaalsContact C-N 3.29Å; I358-D362 HydrophobicContact CG2-CB 4.5Å; I358-L363 HydrophobicContact CD1-CD1 4.37Å; I358-L363 HydrophobicContact CG2-CB 3.81Å; I358-L363 HydrophobicContact CG2-CD1 4.29Å; I358-Y370 HydrophobicContact CD1-CD1 3.54Å; I358-Y370 HydrophobicContact CD1-CE1 3.47Å; I358-Y370 VanDerWaalsContact CD1-CE1 3.47Å; I358-Y370 HydrophobicContact CD1-CG 4.25Å; I358-Y370 HydrophobicContact CG1-CE1 4Å; I358-Y370 HydrophobicContact CG2-CE1 4.37Å; I358-Y370 HydrophobicContact CG2-CE2 3.99Å; I358-F374 HydrophobicContact CD1-CE2 4.35Å; I358-F374 HydrophobicContact CD1-CZ 3.67Å
359P94.8Very high92.8Very high52 Ų5285.8 Ų85.834%0.33839%0.393SS..  trans-59.1145.4169.3-23.134.6000111.8D361 D362 L363P359-D361 VanDerWaalsContact C-N 3.26Å; P359-D361 PolarHBondContact O-N 3.06Å; P359-D362 PolarHBondContact O-N 3.31Å; P359-L363 WeakPolarHBondContact O-CB 3.46Å; P359-L363 PolarHBondContact O-N 2.72Å
360N93.4Very high93Very high109 Ų10977.6 Ų77.658%0.58336%0.362SS*.Hα-helixtrans-59-39.3-178.3-70-22.8000112D362 L363 E364N360-D362 PolarHBondContact O-N 3.04Å; N360-L363 WeakPolarHBondContact O-CB 3.22Å; N360-L363 PolarHBondContact O-N 3.24Å; N360-E364 WeakPolarHBondContact O-CG 3.35Å; N360-E364 PolarHBondContact O-N 2.84Å
361D93.4Very high93.1Very high131 Ų13178 Ų7870%0.70137%0.368SS*.Hα-helixtrans-60.5-45.8-179.8-55.8-9.8000112.1P359 E364 K365P359-D361 VanDerWaalsContact C-N 3.26Å; P359-D361 PolarHBondContact O-N 3.06Å; D361-E364 PolarHBondContact O-N 3.12Å; D361-K365 VanDerWaalsContact O-CB 3.3Å; D361-K365 WeakPolarHBondContact O-CB 3.49Å; D361-K365 PolarHBondContact O-N 3.16Å
362D92.4Very high93.2Very high29 Ų2976.1 Ų76.116%0.15536%0.359CS..Hα-helixtrans-72.1-33.5178.9-74.7-50.6000112.5H332 I358 P359 N360 K365 Y366H332-D362 IonicContact CE1-OD2 3.82Å; H332-D362 PolarHBondContact CE1-OD2 3.04Å; H332-D362 IonicContact CG-OD2 2.75Å; H332-D362 IonicContact ND1-OD2 3.42Å; H332-D362 PolarHBondContact ND1-OD2 3.13Å; I358-D362 HydrophobicContact CG2-CB 4.5Å; P359-D362 PolarHBondContact O-N 3.31Å; N360-D362 PolarHBondContact O-N 3.04Å; D362-K365 PolarHBondContact O-N 3.35Å; D362-Y366 WeakPolarHBondContact O-CD2 3.47Å; D362-Y366 PolarHBondContact O-N 3.35Å
363L92.3Very high93.2Very high6 Ų671.8 Ų71.83%0.03133%0.333CS..Hα-helixtrans-63.5-45.4175178.187.5000111.2I358 P359 N360 Y366 W367 Y370 F374I358-L363 HydrophobicContact CD1-CD1 4.37Å; I358-L363 HydrophobicContact CG2-CB 3.81Å; I358-L363 HydrophobicContact CG2-CD1 4.29Å; P359-L363 WeakPolarHBondContact O-CB 3.46Å; P359-L363 PolarHBondContact O-N 2.72Å; N360-L363 WeakPolarHBondContact O-CB 3.22Å; N360-L363 PolarHBondContact O-N 3.24Å; L363-Y366 CarbonylContact O-C 3.35Å; L363-W367 HydrophobicContact CD2-CE3 4.4Å; L363-W367 HydrophobicContact CD2-CZ3 4.16Å; L363-W367 HydrophobicContact CG-CE3 4.19Å; L363-W367 HydrophobicContact CG-CZ3 4.35Å; L363-W367 WeakPolarHBondContact O-CA 3.19Å; L363-W367 PolarHBondContact O-N 3.05Å; L363-Y370 HydrophobicContact CD1-CD2 4.1Å; L363-Y370 HydrophobicContact CD1-CG 4.01Å; L363-F374 HydrophobicContact CD1-CE2 4.35Å
364E93Very high93.1Very high147 Ų14767.6 Ų67.669%0.68731%0.314SS*.Hα-helixtrans-65.9-43.9177.4-72.9177.2-168.700110.8N360 D361 Y366 W367N360-E364 WeakPolarHBondContact O-CG 3.35Å; N360-E364 PolarHBondContact O-N 2.84Å; D361-E364 PolarHBondContact O-N 3.12Å; E364-Y366 VanDerWaalsContact C-N 3.32Å; E364-Y366 PolarHBondContact O-N 3.47Å; E364-W367 PolarHBondContact O-N 3.19Å
365K94.6Very high92.9Very high142 Ų14271.2 Ų71.262%0.61734%0.337SS*.Hα-helixtrans-59.5-40.1178.1-176178.6178.4-174.70113.2D361 D362D361-K365 VanDerWaalsContact O-CB 3.3Å; D361-K365 WeakPolarHBondContact O-CB 3.49Å; D361-K365 PolarHBondContact O-N 3.16Å; D362-K365 PolarHBondContact O-N 3.35Å
366Y93.9Very high92.6Very high68 Ų6867.5 Ų67.527%0.26733%0.325SS..THydrogen-bonded Turntrans-11538.2-177.9-54.6-64.6000112.1S333 P335 D362 L363 E364 D368 F369 Y370S333-Y366 PolarHBondContact O-OH 2.92Å; P335-Y366 HydrophobicContact CG-CD1 3.7Å; P335-Y366 HydrophobicContact CG-CD2 3.65Å; P335-Y366 HydrophobicContact CG-CE1 4.07Å; P335-Y366 HydrophobicContact CG-CE2 4.01Å; P335-Y366 HydrophobicContact CG-CG 3.47Å; P335-Y366 VanDerWaalsContact CG-CG 3.47Å; D362-Y366 WeakPolarHBondContact O-CD2 3.47Å; D362-Y366 PolarHBondContact O-N 3.35Å; L363-Y366 CarbonylContact O-C 3.35Å; E364-Y366 VanDerWaalsContact C-N 3.32Å; E364-Y366 PolarHBondContact O-N 3.47Å; Y366-D368 PolarHBondContact O-N 3.18Å; Y366-F369 PolarHBondContact O-N 3.3Å; Y366-Y370 HydrophobicContact CD2-CE2 4.48Å; Y366-Y370 VanDerWaalsContact O-CD2 3.31Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.33Å; Y366-Y370 PolarHBondContact O-N 3.06Å; Y366-Y370 VanDerWaalsContact O-N 3.09Å
367W92.4Very high92.3Very high121 Ų12157.7 Ų57.746%0.45829%0.288SS..Hα-helixtrans-54.7-47.7-172.8175.9-101.1000113.1L363 E364 F369 Y370 H371L363-W367 HydrophobicContact CD2-CE3 4.4Å; L363-W367 HydrophobicContact CD2-CZ3 4.16Å; L363-W367 HydrophobicContact CG-CE3 4.19Å; L363-W367 HydrophobicContact CG-CZ3 4.35Å; L363-W367 WeakPolarHBondContact O-CA 3.19Å; L363-W367 PolarHBondContact O-N 3.05Å; E364-W367 PolarHBondContact O-N 3.19Å; W367-F369 VanDerWaalsContact C-N 3.3Å; W367-F369 PolarHBondContact O-N 3.21Å; W367-Y370 PolarHBondContact O-N 3.49Å; W367-H371 WeakPolarHBondContact O-CB 3.39Å; W367-H371 PolarHBondContact O-N 3.13Å
368D92.9Very high91.7Very high130 Ų13060 Ų6070%0.69530%0.303SS*.Hα-helixtrans-59.8-41.6-176.8-64.2-32.5000112Y366 S372Y366-D368 PolarHBondContact O-N 3.18Å; D368-S372 VanDerWaalsContact O-CB 3.26Å; D368-S372 WeakPolarHBondContact O-CB 3.36Å; D368-S372 PolarHBondContact O-N 3.23Å
369F94.9Very high90.7Very high10 Ų1064.3 Ų64.34%0.04433%0.326CS..Hα-helixtrans-64.3-50.4176.1173.4-96.6000111.4P335 I338 E339 Y366 W367 H371 S372 L373 I425P335-F369 HydrophobicContact CB-CB 4.38Å; P335-F369 HydrophobicContact CB-CD1 3.63Å; P335-F369 HydrophobicContact CB-CD2 4.02Å; P335-F369 HydrophobicContact CB-CE1 3.81Å; P335-F369 HydrophobicContact CB-CE2 4.2Å; P335-F369 HydrophobicContact CB-CG 3.72Å; P335-F369 HydrophobicContact CB-CZ 4.1Å; P335-F369 HydrophobicContact CG-CD1 4.32Å; P335-F369 WeakPolarHBondContact O-CZ 3.19Å; I338-F369 HydrophobicContact CB-CE1 4.12Å; I338-F369 HydrophobicContact CB-CZ 3.93Å; I338-F369 HydrophobicContact CD1-CE1 4.43Å; I338-F369 HydrophobicContact CG2-CE1 4.14Å; I338-F369 HydrophobicContact CG2-CZ 3.99Å; E339-F369 HydrophobicContact CB-CE2 3.9Å; E339-F369 HydrophobicContact CB-CZ 4.27Å; E339-F369 HydrophobicContact CG-CE2 4.39Å; Y366-F369 PolarHBondContact O-N 3.3Å; W367-F369 VanDerWaalsContact C-N 3.3Å; W367-F369 PolarHBondContact O-N 3.21Å; F369-H371 VanDerWaalsContact C-N 3.35Å; F369-H371 PolarHBondContact O-N 3Å; F369-S372 WeakPolarHBondContact O-CB 3.42Å; F369-S372 PolarHBondContact O-N 3.35Å; F369-L373 HydrophobicContact CE1-CD2 4.38Å; F369-L373 WeakPolarHBondContact O-CB 3.34Å; F369-L373 PolarHBondContact O-N 3.42Å; F369-I425 HydrophobicContact CE2-CD1 3.75Å; F369-I425 HydrophobicContact CE2-CG1 3.95Å; F369-I425 HydrophobicContact CZ-CD1 3.9Å
370Y93.8Very high89.8Confident1 Ų165 Ų650%0.00433%0.331CS..Hα-helixtrans-68.8-35.3-177.5-76.7-62.7000112.6H332 I338 I358 L363 Y366 W367 L373 F374H332-Y370 VanDerWaalsContact C-OH 3.32Å; H332-Y370 WeakPolarHBondContact CA-OH 3.3Å; H332-Y370 PolarHBondContact O-OH 3.21Å; I338-Y370 HydrophobicContact CD1-CE1 4.07Å; I358-Y370 HydrophobicContact CD1-CD1 3.54Å; I358-Y370 HydrophobicContact CD1-CE1 3.47Å; I358-Y370 VanDerWaalsContact CD1-CE1 3.47Å; I358-Y370 HydrophobicContact CD1-CG 4.25Å; I358-Y370 HydrophobicContact CG1-CE1 4Å; I358-Y370 HydrophobicContact CG2-CE1 4.37Å; I358-Y370 HydrophobicContact CG2-CE2 3.99Å; L363-Y370 HydrophobicContact CD1-CD2 4.1Å; L363-Y370 HydrophobicContact CD1-CG 4.01Å; Y366-Y370 HydrophobicContact CD2-CE2 4.48Å; Y366-Y370 VanDerWaalsContact O-CD2 3.31Å; Y366-Y370 WeakPolarHBondContact O-CD2 3.33Å; Y366-Y370 PolarHBondContact O-N 3.06Å; Y366-Y370 VanDerWaalsContact O-N 3.09Å; W367-Y370 PolarHBondContact O-N 3.49Å; Y370-L373 HydrophobicContact CD1-CD2 4.07Å; Y370-L373 HydrophobicContact CE1-CD2 4.41Å; Y370-L373 WeakPolarHBondContact O-CB 3.49Å; Y370-L373 PolarHBondContact O-N 3.22Å; Y370-F374 WeakPolarHBondContact O-CD2 3.44Å; Y370-F374 WeakPolarHBondContact O-CG 3.39Å; Y370-F374 PolarHBondContact O-N 3.16Å
371H91.3Very high88.8Confident99 Ų9963.2 Ų63.246%0.45833%0.326SS..Hα-helixtrans-60.3-50.6172.5-178.6-94.1000110.3W367 F369 L373 F374 T375W367-H371 WeakPolarHBondContact O-CB 3.39Å; W367-H371 PolarHBondContact O-N 3.13Å; F369-H371 VanDerWaalsContact C-N 3.35Å; F369-H371 PolarHBondContact O-N 3Å; H371-L373 VanDerWaalsContact C-N 3.33Å; H371-L373 PolarHBondContact O-N 3.01Å; H371-F374 PolarHBondContact O-N 3.45Å; H371-T375 WeakPolarHBondContact O-CG2 3.43Å; H371-T375 PolarHBondContact O-N 2.91Å; H371-T375 PolarHBondContact O-OG1 3.1Å
372S91.7Very high88.4Confident15 Ų1558.7 Ų58.711%0.10530%0.299CS..Hα-helixtrans-57.4-42.3173.3158.30000112.5D368 F369 F374 T375 V376 I425D368-S372 VanDerWaalsContact O-CB 3.26Å; D368-S372 WeakPolarHBondContact O-CB 3.36Å; D368-S372 PolarHBondContact O-N 3.23Å; F369-S372 WeakPolarHBondContact O-CB 3.42Å; F369-S372 PolarHBondContact O-N 3.35Å; S372-F374 PolarHBondContact O-N 2.85Å; S372-T375 WeakPolarHBondContact CA-OG1 3.15Å; S372-T375 PolarHBondContact O-N 3.42Å; S372-T375 PolarHBondContact O-OG1 3.46Å; S372-V376 WeakPolarHBondContact O-CB 3.49Å; S372-V376 WeakPolarHBondContact O-CG2 3.39Å; S372-V376 PolarHBondContact O-N 3.21Å; S372-V376 VanDerWaalsContact O-N 3.09Å; S372-I425 WeakPolarHBondContact OG-CA 3.46Å; S372-I425 WeakPolarHBondContact OG-CB 3.45Å; S372-I425 PolarHBondContact OG-N 3.06Å; S372-I425 VanDerWaalsContact OG-N 3.12Å; S372-I425 PolarHBondContact OG-O 3.31Å
373L92.2Very high88.2Confident0 Ų059.8 Ų59.80%031%0.307CS..Hα-helixtrans-60.1-46.7177.3179.167.7000111.8I328 I338 V342 W354 F369 Y370 H371 C377 I425I328-L373 HydrophobicContact CD1-CD2 4.48Å; I338-L373 HydrophobicContact CG2-CD2 4.11Å; V342-L373 HydrophobicContact CB-CD1 4.43Å; V342-L373 HydrophobicContact CG1-CD1 4.02Å; V342-L373 HydrophobicContact CG2-CD1 3.75Å; W354-L373 HydrophobicContact CE3-CD2 4.41Å; W354-L373 HydrophobicContact CZ3-CD1 4.23Å; W354-L373 HydrophobicContact CZ3-CD2 4.33Å; W354-L373 HydrophobicContact CZ3-CG 4.26Å; F369-L373 HydrophobicContact CE1-CD2 4.38Å; F369-L373 WeakPolarHBondContact O-CB 3.34Å; F369-L373 PolarHBondContact O-N 3.42Å; Y370-L373 HydrophobicContact CD1-CD2 4.07Å; Y370-L373 HydrophobicContact CE1-CD2 4.41Å; Y370-L373 WeakPolarHBondContact O-CB 3.49Å; Y370-L373 PolarHBondContact O-N 3.22Å; H371-L373 VanDerWaalsContact C-N 3.33Å; H371-L373 PolarHBondContact O-N 3.01Å; L373-C377 VanDerWaalsContact O-CB 3.26Å; L373-C377 WeakPolarHBondContact O-CB 3.26Å; L373-C377 PolarHBondContact O-N 3.22Å; L373-C377 PolarHBondContact O-SG 2.94Å; L373-I425 HydrophobicContact CB-CD1 4.07Å; L373-I425 HydrophobicContact CD1-CD1 3.4Å; L373-I425 VanDerWaalsContact CD1-CD1 3.4Å; L373-I425 HydrophobicContact CG-CD1 4.33Å
374F91.1Very high88.1Confident28 Ų2866.1 Ų66.112%0.12334%0.34CS..Hα-helixtrans-74.2-32.2-177.4-64.6-45.3000113.3W350 W354 I358 L363 Y370 H371 S372 C378W350-F374 HydrophobicContact CB-CD1 4.01Å; W350-F374 HydrophobicContact CB-CE1 4.46Å; W350-F374 VanDerWaalsContact CD1-O 3.24Å; W350-F374 AromaticContact CD2-CD1 3.71Å; W350-F374 HydrophobicContact CD2-CD1 3.71Å; W350-F374 HydrophobicContact CD2-CE1 4.33Å; W350-F374 HydrophobicContact CD2-CG 4.43Å; W350-F374 AromaticContact CE3-CD1 3.85Å; W350-F374 HydrophobicContact CE3-CD1 3.85Å; W350-F374 HydrophobicContact CE3-CE1 4.04Å; W350-F374 AromaticContact CG-CD1 3.77Å; W350-F374 HydrophobicContact CG-CD1 3.77Å; W350-F374 PolarHBondContact NE1-O 3.07Å; W354-F374 HydrophobicContact CB-CE1 4.14Å; W354-F374 HydrophobicContact CE3-CE1 4.32Å; I358-F374 HydrophobicContact CD1-CE2 4.35Å; I358-F374 HydrophobicContact CD1-CZ 3.67Å; L363-F374 HydrophobicContact CD1-CE2 4.35Å; Y370-F374 WeakPolarHBondContact O-CD2 3.44Å; Y370-F374 WeakPolarHBondContact O-CG 3.39Å; Y370-F374 PolarHBondContact O-N 3.16Å; H371-F374 PolarHBondContact O-N 3.45Å; S372-F374 PolarHBondContact O-N 2.85Å; F374-C378 PolarHBondContact O-SG 3.34Å
375T88.4Confident88Confident77 Ų7763.5 Ų63.547%0.47233%0.329SS..Hα-helixtrans-68.1-41.3175.153.60000111.1H371 S372 C378H371-T375 WeakPolarHBondContact O-CG2 3.43Å; H371-T375 PolarHBondContact O-N 2.91Å; H371-T375 PolarHBondContact O-OG1 3.1Å; S372-T375 WeakPolarHBondContact CA-OG1 3.15Å; S372-T375 PolarHBondContact O-N 3.42Å; S372-T375 PolarHBondContact O-OG1 3.46Å; T375-C378 PolarHBondContact O-SG 2.96Å
376V86.5Confident87.8Confident22 Ų2256.8 Ų56.813%0.13330%0.3CS..Hα-helixtrans-82.7-30.9-173.1178.80000112.7S372 C378 R382 I425S372-V376 WeakPolarHBondContact O-CB 3.49Å; S372-V376 WeakPolarHBondContact O-CG2 3.39Å; S372-V376 PolarHBondContact O-N 3.21Å; S372-V376 VanDerWaalsContact O-N 3.09Å; V376-C378 VanDerWaalsContact C-N 3.27Å; V376-C378 PolarHBondContact O-N 2.82Å; V376-R382 HydrophobicContact CG1-CB 3.97Å; V376-R382 HydrophobicContact CG1-CG 3.34Å; V376-I425 HydrophobicContact CB-CG2 4.2Å; V376-I425 HydrophobicContact CG1-CG2 3.97Å; V376-I425 HydrophobicContact CG2-CG2 4.42Å
377C86.6Confident87.7Confident1 Ų155.7 Ų55.71%0.00730%0.298CS..  trans-84.553.4-177.9-62.10000113.8I348 R349 W350 W354 L373 R382I348-C377 HydrophobicContact CG2-CB 4.24Å; I348-C377 CarbonylContact O-C 3.48Å; I348-C377 WeakPolarHBondContact O-CA 3.17Å; R349-C377 WeakPolarHBondContact CA-O 3.17Å; W350-C377 HydrophobicContact CB-CB 4.19Å; W350-C377 VanDerWaalsContact CD1-O 3.26Å; W350-C377 PolarHBondContact N-O 3.23Å; W354-C377 HydrophobicContact CH2-CB 4.41Å; W354-C377 HydrophobicContact CZ3-CB 4.17Å; L373-C377 VanDerWaalsContact O-CB 3.26Å; L373-C377 WeakPolarHBondContact O-CB 3.26Å; L373-C377 PolarHBondContact O-N 3.22Å; L373-C377 PolarHBondContact O-SG 2.94Å; C377-R382 PolarHBondContact SG-NH2 3.14Å
378C80.5Confident87.8Confident65 Ų6552.4 Ų52.444%0.43929%0.294SS..BIsolated β-bridgetrans-102.418.3-175.2-70.40000115.1F374 T375 V376 S380F374-C378 PolarHBondContact O-SG 3.34Å; T375-C378 PolarHBondContact O-SG 2.96Å; V376-C378 VanDerWaalsContact C-N 3.27Å; V376-C378 PolarHBondContact O-N 2.82Å; C378-S380 PolarHBondContact O-N 3.18Å
379N73.8Confident87.8Confident98 Ų9846.4 Ų46.452%0.52426%0.261SS..SBendtrans67.12.2-174.7-146.940.8000115.4R349R349-N379 HydrophobicContact CB-CB 4.01Å; R349-N379 HydrophobicContact CG-CB 4.12Å
380S76.4Confident87.7Confident65 Ų6546.4 Ų46.446%0.45526%0.263SS..SBendtrans-87.3149.7166.547.90000110.7C378 R382C378-S380 PolarHBondContact O-N 3.18Å; S380-R382 PolarHBondContact O-N 3.27Å
381P72.9Confident87.7Confident72 Ų7248.5 Ų48.547%0.46828%0.28SS..  trans-62.2129.8168.425.8-31.8000109.7L387P381-L387 HydrophobicContact CB-CD1 3.76Å; P381-L387 HydrophobicContact CB-CD2 4.01Å; P381-L387 HydrophobicContact CB-CG 4.08Å
382R84.4Confident87.9Confident36 Ų3646.6 Ų46.614%0.13627%0.273CS..  trans-65.7-61.7-174.7-50.7178172.3-170.3-11.4111.5N343 V376 C377 S380 H386N343-R382 PolarHBondContact OD1-NH1 3.39Å; N343-R382 VanDerWaalsContact OD1-NH1 3.12Å; V376-R382 HydrophobicContact CG1-CB 3.97Å; V376-R382 HydrophobicContact CG1-CG 3.34Å; C377-R382 PolarHBondContact SG-NH2 3.14Å; S380-R382 PolarHBondContact O-N 3.27Å; R382-H386 HydrophobicContact CB-CB 4.18Å
383T88.8Confident88.1Confident52 Ų5247.1 Ų47.132%0.31927%0.272SS..  trans-150.3157.8-178.662.20000109.1M385 H386 L387T383-M385 PolarHBondContact O-N 3.37Å; T383-H386 PolarHBondContact O-N 3.07Å; T383-H386 WeakPolarHBondContact OG1-CB 3.42Å; T383-H386 PolarHBondContact OG1-N 3.35Å; T383-L387 PolarHBondContact O-N 3.33Å; T383-L387 VanDerWaalsContact O-N 3.12Å
384L90.2Very high88.1Confident139 Ų13954 Ų5473%0.72830%0.298SS*.Hα-helixtrans-59.4-33.8171.7-175.964.2000111.4L387 S388L384-L387 PolarHBondContact O-N 2.92Å; L384-S388 WeakPolarHBondContact O-CB 3.14Å; L384-S388 PolarHBondContact O-N 3.08Å; L384-S388 PolarHBondContact O-OG 3.21Å
385M91.3Very high88.2Confident93 Ų9357.6 Ų57.646%0.45832%0.323SS..Hα-helixtrans-62.7-43.5175.9-168.7175.189.100111.8T383 S388 R389 Y416T383-M385 PolarHBondContact O-N 3.37Å; M385-S388 WeakPolarHBondContact O-CB 3.36Å; M385-S388 PolarHBondContact O-N 3.27Å; M385-R389 PolarHBondContact O-N 3.21Å; M385-Y416 HydrophobicContact CE-CD1 4.34Å; M385-Y416 HydrophobicContact CE-CD2 4.1Å; M385-Y416 HydrophobicContact CE-CE1 3.88Å; M385-Y416 HydrophobicContact CE-CE2 3.63Å; M385-Y416 HydrophobicContact CE-CG 4.44Å; M385-Y416 HydrophobicContact CG-CD1 4.5Å; M385-Y416 HydrophobicContact CG-CE1 3.8Å; M385-Y416 HydrophobicContact SD-CE1 4.45Å
386H91Very high88.5Confident0 Ų055.3 Ų55.30%031%0.308CS..Hα-helixtrans-63.3-47.2175.9178.165.1000112.3Y345 E346 R382 T383 S388 R389 C390 Y416Y345-H386 PolarHBondContact O-CE1 2.95Å; Y345-H386 PolarHBondContact O-NE2 3.31Å; E346-H386 PolarHBondContact O-NE2 3.38Å; R382-H386 HydrophobicContact CB-CB 4.18Å; T383-H386 PolarHBondContact O-N 3.07Å; T383-H386 WeakPolarHBondContact OG1-CB 3.42Å; T383-H386 PolarHBondContact OG1-N 3.35Å; H386-S388 VanDerWaalsContact C-N 3.27Å; H386-S388 PolarHBondContact O-N 2.92Å; H386-R389 PolarHBondContact CE1-NH2 2.66Å; H386-R389 VanDerWaalsContact CE1-NH2 3.3Å; H386-R389 PolarHBondContact ND1-NH2 3.3Å; H386-R389 WeakPolarHBondContact O-CB 3.45Å; H386-R389 PolarHBondContact O-N 3.07Å; H386-C390 PolarHBondContact O-N 3.24Å; H386-C390 PolarHBondContact O-SG 3.44Å; H386-Y416 VanDerWaalsContact CA-OH 3.28Å; H386-Y416 WeakPolarHBondContact CA-OH 3.5Å; H386-Y416 PolarHBondContact N-OH 3.45Å
387L91.8Very high88.6Confident45 Ų4559.4 Ų59.424%0.23633%0.325CS..Hα-helixtrans-59.6-41.1175.8-67.3-179000111.5E346 P381 T383 L384 C390 A391E346-L387 HydrophobicContact CG-CD2 3.59Å; P381-L387 HydrophobicContact CB-CD1 3.76Å; P381-L387 HydrophobicContact CB-CD2 4.01Å; P381-L387 HydrophobicContact CB-CG 4.08Å; T383-L387 PolarHBondContact O-N 3.33Å; T383-L387 VanDerWaalsContact O-N 3.12Å; L384-L387 PolarHBondContact O-N 2.92Å; L387-C390 PolarHBondContact O-N 2.79Å; L387-A391 WeakPolarHBondContact O-CB 3.24Å; L387-A391 PolarHBondContact O-N 2.9Å
388S93.3Very high88.8Confident52 Ų5263.3 Ų63.336%0.36435%0.346SS..Hα-helixtrans-61.9-43.7176.5-58.30000111.6L384 M385 H386 C390 A391 I392L384-S388 WeakPolarHBondContact O-CB 3.14Å; L384-S388 PolarHBondContact O-N 3.08Å; L384-S388 PolarHBondContact O-OG 3.21Å; M385-S388 WeakPolarHBondContact O-CB 3.36Å; M385-S388 PolarHBondContact O-N 3.27Å; H386-S388 VanDerWaalsContact C-N 3.27Å; H386-S388 PolarHBondContact O-N 2.92Å; S388-C390 PolarHBondContact O-N 2.92Å; S388-A391 PolarHBondContact O-N 3.42Å; S388-I392 WeakPolarHBondContact O-CB 3.41Å; S388-I392 VanDerWaalsContact O-CG1 3.26Å; S388-I392 WeakPolarHBondContact O-CG1 3.28Å; S388-I392 PolarHBondContact O-N 3.42Å
389R93.6Very high89.3Confident5 Ų567.3 Ų67.32%0.01935%0.352CS..Hα-helixtrans-58.1-48.9172.9169.2177.568.7174.10.6111.6N343 M385 H386 A391 I392 R393 Y416 L417N343-R389 VanDerWaalsContact CB-NH2 3.28Å; N343-R389 VanDerWaalsContact CG-NH1 3.33Å; N343-R389 PolarHBondContact ND2-NH1 3.39Å; N343-R389 PolarHBondContact O-NH2 3.39Å; N343-R389 PolarHBondContact OD1-NH2 3.12Å; M385-R389 PolarHBondContact O-N 3.21Å; H386-R389 PolarHBondContact CE1-NH2 2.66Å; H386-R389 VanDerWaalsContact CE1-NH2 3.3Å; H386-R389 PolarHBondContact ND1-NH2 3.3Å; H386-R389 WeakPolarHBondContact O-CB 3.45Å; H386-R389 PolarHBondContact O-N 3.07Å; R389-A391 VanDerWaalsContact C-N 3.32Å; R389-A391 PolarHBondContact O-N 2.96Å; R389-I392 PolarHBondContact O-N 3.08Å; R389-R393 HydrophobicContact CG-CG 4.36Å; R389-R393 WeakPolarHBondContact O-CB 3.3Å; R389-R393 VanDerWaalsContact O-CG 3.23Å; R389-R393 WeakPolarHBondContact O-CG 3.24Å; R389-R393 PolarHBondContact O-N 3.33Å; R389-Y416 HydrophobicContact CB-CD1 4.17Å; R389-Y416 HydrophobicContact CB-CE1 3.54Å; R389-Y416 WeakPolarHBondContact CD-O 3.44Å; R389-Y416 HydrophobicContact CG-CD1 4.46Å; R389-Y416 HydrophobicContact CG-CE1 4.11Å; R389-L417 HydrophobicContact CB-CD2 4Å; R389-L417 HydrophobicContact CG-CD2 4.12Å
390C92.9Very high90.2Very high10 Ų1062.7 Ų62.77%0.06833%0.327CS..Hα-helixtrans-62.1-40.1179.4-68.60000112.1E346 H386 L387 S388 R394E346-C390 HydrophobicContact CB-CB 4.12Å; E346-C390 HydrophobicContact CG-CB 4.33Å; H386-C390 PolarHBondContact O-N 3.24Å; H386-C390 PolarHBondContact O-SG 3.44Å; L387-C390 PolarHBondContact O-N 2.79Å; S388-C390 PolarHBondContact O-N 2.92Å; C390-R394 VanDerWaalsContact O-CB 3.28Å; C390-R394 WeakPolarHBondContact O-CB 3.49Å; C390-R394 PolarHBondContact O-N 3.23Å
391A93.9Very high91Very high45 Ų4561.8 Ų61.837%0.37232%0.315SS..Hα-helixtrans-64.6-48.4176.500000112L387 S388 R389 R393 R394 T395L387-A391 WeakPolarHBondContact O-CB 3.24Å; L387-A391 PolarHBondContact O-N 2.9Å; S388-A391 PolarHBondContact O-N 3.42Å; R389-A391 VanDerWaalsContact C-N 3.32Å; R389-A391 PolarHBondContact O-N 2.96Å; A391-R393 PolarHBondContact O-N 3.02Å; A391-R394 WeakPolarHBondContact O-CB 3.32Å; A391-R394 PolarHBondContact O-N 2.98Å; A391-T395 WeakPolarHBondContact O-CG2 3.38Å; A391-T395 PolarHBondContact O-N 3.47Å; A391-T395 PolarHBondContact O-OG1 3.28Å
392I94.5Very high91.9Very high59 Ų5964.5 Ų64.530%0.30332%0.32SS..Hα-helixtrans-61.2-44.6177.4-68163.8000110.8S388 R389 R394 T395 L396 L417S388-I392 WeakPolarHBondContact O-CB 3.41Å; S388-I392 VanDerWaalsContact O-CG1 3.26Å; S388-I392 WeakPolarHBondContact O-CG1 3.28Å; S388-I392 PolarHBondContact O-N 3.42Å; R389-I392 PolarHBondContact O-N 3.08Å; I392-R394 VanDerWaalsContact C-N 3.31Å; I392-R394 PolarHBondContact O-N 3.46Å; I392-T395 PolarHBondContact O-N 3.38Å; I392-T395 PolarHBondContact O-OG1 3.03Å; I392-L396 HydrophobicContact CG2-CD1 3.8Å; I392-L396 HydrophobicContact CG2-CG 4.35Å; I392-L396 WeakPolarHBondContact O-CB 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.08Å; I392-L396 PolarHBondContact O-N 3Å; I392-L417 HydrophobicContact CB-CD2 4.18Å; I392-L417 HydrophobicContact CD1-CD1 4.44Å; I392-L417 HydrophobicContact CD1-CD2 3.86Å; I392-L417 HydrophobicContact CG2-CD1 4.39Å; I392-L417 HydrophobicContact CG2-CD2 4.14Å
393R95.2Very high92.4Very high25 Ų2563.9 Ų63.99%0.09432%0.323CS..Hα-helixtrans-65.3-35.9177.7-69.4175.263.373.58.3112L312 N313 R389 A391 L396 H397 L417 L419L312-R393 PolarHBondContact O-NH2 3.44Å; N313-R393 PolarHBondContact OD1-NH1 2.85Å; N313-R393 PolarHBondContact OD1-NH2 3.37Å; R389-R393 HydrophobicContact CG-CG 4.36Å; R389-R393 WeakPolarHBondContact O-CB 3.3Å; R389-R393 VanDerWaalsContact O-CG 3.23Å; R389-R393 WeakPolarHBondContact O-CG 3.24Å; R389-R393 PolarHBondContact O-N 3.33Å; A391-R393 PolarHBondContact O-N 3.02Å; R393-L396 PolarHBondContact O-N 2.99Å; R393-H397 WeakPolarHBondContact O-CA 3.43Å; R393-H397 PolarHBondContact O-N 3.39Å; R393-L417 WeakPolarHBondContact CD-O 3.04Å; R393-L417 PolarHBondContact NH1-O 2.79Å; R393-L419 VanDerWaalsContact CZ-CD1 3.43Å; R393-L419 VanDerWaalsContact NH2-CD1 3.28Å
394R93.3Very high92.6Very high144 Ų14461.4 Ų61.454%0.54331%0.307SS..Hα-helixtrans-63.4-39.8174.8-177.9-176.9-64.6145.92.8111.7E346 C390 A391 I392E346-R394 IonicContact OE2-CZ 3.61Å; E346-R394 IonicContact OE2-NH1 3.69Å; E346-R394 IonicContact OE2-NH2 2.64Å; E346-R394 PolarHBondContact OE2-NH2 3.34Å; C390-R394 VanDerWaalsContact O-CB 3.28Å; C390-R394 WeakPolarHBondContact O-CB 3.49Å; C390-R394 PolarHBondContact O-N 3.23Å; A391-R394 WeakPolarHBondContact O-CB 3.32Å; A391-R394 PolarHBondContact O-N 2.98Å; I392-R394 VanDerWaalsContact C-N 3.31Å; I392-R394 PolarHBondContact O-N 3.46Å
395T94.1Very high92.8Very high105 Ų10557.8 Ų57.864%0.64429%0.292SS*.Hα-helixtrans-74-35.5178.457.20000112.7A391 I392A391-T395 WeakPolarHBondContact O-CG2 3.38Å; A391-T395 PolarHBondContact O-N 3.47Å; A391-T395 PolarHBondContact O-OG1 3.28Å; I392-T395 PolarHBondContact O-N 3.38Å; I392-T395 PolarHBondContact O-OG1 3.03Å
396L93.1Very high92.9Very high29 Ų2960.3 Ų60.315%0.15231%0.307CS..Hα-helixtrans-80.9-26.2178.9-64.3179.3000113.6I392 R393 N398 R399 A403 I404I392-L396 HydrophobicContact CG2-CD1 3.8Å; I392-L396 HydrophobicContact CG2-CG 4.35Å; I392-L396 WeakPolarHBondContact O-CB 3.3Å; I392-L396 WeakPolarHBondContact O-CG 3.08Å; I392-L396 PolarHBondContact O-N 3Å; R393-L396 PolarHBondContact O-N 2.99Å; L396-N398 PolarHBondContact O-N 3.34Å; L396-R399 WeakPolarHBondContact O-CB 3.29Å; L396-R399 PolarHBondContact O-N 3.07Å; L396-A403 HydrophobicContact CD1-CB 4.17Å; L396-A403 HydrophobicContact CD2-CB 3.81Å; L396-I404 HydrophobicContact CD1-CD1 4.35Å; L396-I404 HydrophobicContact CD1-CG1 3.67Å
397H89.7Confident93Very high108 Ų10863.3 Ų63.350%0.532%0.322SS..G310 helixtrans50.3-118.7179.2-167.658.6000112.9R393 R399 C400R393-H397 WeakPolarHBondContact O-CA 3.43Å; R393-H397 PolarHBondContact O-N 3.39Å; H397-R399 PolarHBondContact O-N 2.91Å; H397-C400 PolarHBondContact O-SG 3.3Å
398N89.6Confident93.1Very high82 Ų8267.5 Ų67.544%0.43936%0.355SS..G310 helixtrans-73.9-5.9179.864.6-15.2000114.1H314 L396 H401H314-N398 WeakPolarHBondContact O-CB 3.25Å; L396-N398 PolarHBondContact O-N 3.34Å; N398-H401 PolarHBondContact O-CE1 2.99Å; N398-H401 PolarHBondContact O-ND1 3.45Å; N398-H401 VanDerWaalsContact O-ND1 3.12Å
399R91.5Very high93.2Very high150 Ų15068 Ų6857%0.56635%0.354SS*.G310 helixtrans-96.68.8-179.1-57.4-176.6-67.2-179.6-0.9113.3L396 H397 H401 K402 A403L396-R399 WeakPolarHBondContact O-CB 3.29Å; L396-R399 PolarHBondContact O-N 3.07Å; H397-R399 PolarHBondContact O-N 2.91Å; R399-H401 VanDerWaalsContact C-N 3.29Å; R399-H401 PolarHBondContact O-N 3.46Å; R399-K402 PolarHBondContact O-N 3.41Å; R399-A403 HydrophobicContact CB-CB 4.41Å; R399-A403 WeakPolarHBondContact O-CB 3.27Å; R399-A403 PolarHBondContact O-N 3.16Å
400C92.8Very high93.3Very high1 Ų171.5 Ų71.51%0.00738%0.377CS..Hα-helixtrans-53.8-47.7-179.3-69.40000111.5N313 H397 K402 I404N313-C400 HydrophobicContact CB-CB 4.45Å; N313-C400 WeakPolarHBondContact O-CB 3.35Å; H397-C400 PolarHBondContact O-SG 3.3Å; C400-K402 PolarHBondContact O-N 3.12Å; C400-I404 HydrophobicContact CB-CD1 3.76Å; C400-I404 VanDerWaalsContact O-CB 3.31Å; C400-I404 WeakPolarHBondContact O-CB 3.24Å; C400-I404 WeakPolarHBondContact O-CD1 3.34Å; C400-I404 VanDerWaalsContact O-CG1 3.26Å; C400-I404 WeakPolarHBondContact O-CG1 3.3Å; C400-I404 PolarHBondContact O-N 2.8Å; C400-I404 VanDerWaalsContact O-N 3.1Å
401H92.4Very high93.3Very high45 Ų4577.4 Ų77.421%0.20841%0.407CS..Hα-helixtrans-59.5-39.7179.170.5-77.1000113.9N313 H314 N398 R399 P405N313-H401 HydrophobicContact CB-CB 4.29Å; N313-H401 PolarHBondContact O-N 3.47Å; N313-H401 PolarHBondContact O-ND1 2.81Å; H314-H401 AromaticContact CD2-CG 3.77Å; H314-H401 AromaticContact CD2-ND1 3.75Å; H314-H401 AromaticContact CE1-CD2 3.2Å; H314-H401 PolarHBondContact CE1-CD2 3.11Å; H314-H401 AromaticContact CE1-CE1 3.26Å; H314-H401 PolarHBondContact CE1-CE1 3.1Å; H314-H401 AromaticContact CE1-CG 3.36Å; H314-H401 AromaticContact CE1-ND1 3.39Å; H314-H401 PolarHBondContact CE1-ND1 3.09Å; H314-H401 AromaticContact CE1-NE2 3.19Å; H314-H401 PolarHBondContact CE1-NE2 3.16Å; H314-H401 AromaticContact CG-ND1 3.75Å; H314-H401 AromaticContact ND1-CE1 3.34Å; H314-H401 PolarHBondContact ND1-CE1 3.05Å; H314-H401 VanDerWaalsContact ND1-CE1 3.34Å; H314-H401 AromaticContact ND1-CG 3.97Å; H314-H401 AromaticContact ND1-ND1 3.52Å; H314-H401 AromaticContact ND1-NE2 3.72Å; H314-H401 AromaticContact NE2-CD2 3.38Å; H314-H401 PolarHBondContact NE2-CD2 2.88Å; H314-H401 AromaticContact NE2-CE1 3.87Å; H314-H401 AromaticContact NE2-CG 3.19Å; H314-H401 AromaticContact NE2-ND1 3.53Å; H314-H401 AromaticContact NE2-NE2 3.85Å; N398-H401 PolarHBondContact O-CE1 2.99Å; N398-H401 PolarHBondContact O-ND1 3.45Å; N398-H401 VanDerWaalsContact O-ND1 3.12Å; R399-H401 VanDerWaalsContact C-N 3.29Å; R399-H401 PolarHBondContact O-N 3.46Å; H401-P405 WeakPolarHBondContact O-CD 3.42Å; H401-P405 VanDerWaalsContact O-CG 3.23Å; H401-P405 WeakPolarHBondContact O-CG 3.4Å
402K92.8Very high93.2Very high130 Ų13079 Ų7957%0.56542%0.415SS*.Hα-helixtrans-84.1-38.7-179.1-88.6163.3-170.6175.70113.3R399 C400 L406R399-K402 PolarHBondContact O-N 3.41Å; C400-K402 PolarHBondContact O-N 3.12Å; K402-L406 WeakPolarHBondContact O-CD1 3.49Å; K402-L406 WeakPolarHBondContact O-CG 3.28Å
403A94.3Very high93.2Very high23 Ų2379.3 Ų79.319%0.1942%0.418CS..Hα-helixtrans-86-39.7-170.200000113.2L396 R399 L406 L407L396-A403 HydrophobicContact CD1-CB 4.17Å; L396-A403 HydrophobicContact CD2-CB 3.81Å; R399-A403 HydrophobicContact CB-CB 4.41Å; R399-A403 WeakPolarHBondContact O-CB 3.27Å; R399-A403 PolarHBondContact O-N 3.16Å; A403-L406 WeakPolarHBondContact O-CB 3.44Å; A403-L406 PolarHBondContact O-N 3.44Å; A403-L406 VanDerWaalsContact O-N 3.13Å; A403-L407 PolarHBondContact O-N 3.09Å
404I94Very high93.2Very high0 Ų080.1 Ų80.10%042%0.422CS..G310 helixtrans-61.1-42.1-176.8-65.7164.7000112.4L396 C400 L406 L407 K414 L417 L418L396-I404 HydrophobicContact CD1-CD1 4.35Å; L396-I404 HydrophobicContact CD1-CG1 3.67Å; C400-I404 HydrophobicContact CB-CD1 3.76Å; C400-I404 VanDerWaalsContact O-CB 3.31Å; C400-I404 WeakPolarHBondContact O-CB 3.24Å; C400-I404 WeakPolarHBondContact O-CD1 3.34Å; C400-I404 VanDerWaalsContact O-CG1 3.26Å; C400-I404 WeakPolarHBondContact O-CG1 3.3Å; C400-I404 PolarHBondContact O-N 2.8Å; C400-I404 VanDerWaalsContact O-N 3.1Å; I404-L406 PolarHBondContact O-N 2.83Å; I404-L407 WeakPolarHBondContact O-CB 3.36Å; I404-L407 PolarHBondContact O-N 2.9Å; I404-L407 VanDerWaalsContact O-N 3.12Å; I404-K414 HydrophobicContact CG2-CB 4.11Å; I404-K414 HydrophobicContact CG2-CG 4.23Å; I404-L417 HydrophobicContact CD1-CB 3.79Å; I404-L417 HydrophobicContact CG1-CB 4.33Å; I404-L417 HydrophobicContact CG2-CB 4Å; I404-L417 HydrophobicContact CG2-CD1 4.22Å; I404-L418 HydrophobicContact CB-CD2 4.18Å; I404-L418 HydrophobicContact CB-CG 4.21Å; I404-L418 HydrophobicContact CD1-CD2 3.71Å; I404-L418 HydrophobicContact CD1-CG 4.01Å; I404-L418 HydrophobicContact CG2-CD1 4.22Å; I404-L418 HydrophobicContact CG2-CD2 4.48Å; I404-L418 HydrophobicContact CG2-CG 3.95Å
405P93.7Very high93.2Very high63 Ų6377.8 Ų77.841%0.40942%0.416SS..G310 helixtrans-58.9-29.2176.6-27.737.5000114.1H401 K414H401-P405 WeakPolarHBondContact O-CD 3.42Å; H401-P405 VanDerWaalsContact O-CG 3.23Å; H401-P405 WeakPolarHBondContact O-CG 3.4Å; P405-K414 PolarHBondContact O-NZ 2.89Å
406L94.1Very high93.2Very high146 Ų14674.3 Ų74.376%0.76439%0.391SS*.G310 helixtrans-80.2-14.8-179.4-58.6174.4000113.4K402 A403 I404K402-L406 WeakPolarHBondContact O-CD1 3.49Å; K402-L406 WeakPolarHBondContact O-CG 3.28Å; A403-L406 WeakPolarHBondContact O-CB 3.44Å; A403-L406 PolarHBondContact O-N 3.44Å; A403-L406 VanDerWaalsContact O-N 3.13Å; I404-L406 PolarHBondContact O-N 2.83Å
407L92.8Very high93.3Very high63 Ų6373.4 Ų73.433%0.3339%0.386SS..SBendtrans-69.3141.8178.1-61176.3000110.8A403 I404 L409 K414 L417A403-L407 PolarHBondContact O-N 3.09Å; I404-L407 WeakPolarHBondContact O-CB 3.36Å; I404-L407 PolarHBondContact O-N 2.9Å; I404-L407 VanDerWaalsContact O-N 3.12Å; L407-L409 HydrophobicContact CB-CD1 3.99Å; L407-L409 HydrophobicContact CB-CG 4.01Å; L407-L409 HydrophobicContact CD1-CD1 3.89Å; L407-L409 PolarHBondContact O-N 3.4Å; L407-K414 WeakPolarHBondContact O-CE 3.26Å; L407-K414 PolarHBondContact O-NZ 2.96Å; L407-L417 HydrophobicContact CD1-CD1 4.47Å
408S94.3Very high93.6Very high132 Ų13269.9 Ų69.992%0.92337%0.371SS*.SBendtrans-76.558.4173.9-52.90000111.8
409L93.9Very high93.8Very high63 Ų6366 Ų6633%0.3335%0.35SS..  trans-114.5150.6179.2-64.6174.5000111.2L407 L413 K414 L417L407-L409 HydrophobicContact CB-CD1 3.99Å; L407-L409 HydrophobicContact CB-CG 4.01Å; L407-L409 HydrophobicContact CD1-CD1 3.89Å; L407-L409 PolarHBondContact O-N 3.4Å; L409-L413 HydrophobicContact CB-CB 4.38Å; L409-K414 HydrophobicContact CB-CG 4.13Å; L409-K414 WeakPolarHBondContact O-CE 3.37Å; L409-L417 HydrophobicContact CD1-CD1 3.65Å
410P95.6Very high94Very high78 Ų7862.5 Ų62.551%0.50634%0.34SS..  trans-52.2149.6166.5-25.232.5000112.5S412 L413 K414P410-S412 VanDerWaalsContact C-N 3.29Å; P410-S412 PolarHBondContact O-N 3.25Å; P410-L413 HydrophobicContact CG-CD1 4.42Å; P410-L413 PolarHBondContact O-N 2.9Å; P410-L413 VanDerWaalsContact O-N 3.12Å; P410-K414 PolarHBondContact O-N 2.84Å; P410-K414 VanDerWaalsContact O-N 3.09Å
411L93.5Very high93.9Very high134 Ų13463.8 Ų63.870%0.70235%0.348SS*.Hα-helixtrans-56.1-42.3-178.9-71.6172.8000112.3L413 K414 K415L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.4Å; L411-K414 WeakPolarHBondContact O-CB 3.42Å; L411-K414 PolarHBondContact O-N 3.23Å; L411-K414 VanDerWaalsContact O-N 3.12Å; L411-K415 VanDerWaalsContact O-CG 3.3Å; L411-K415 WeakPolarHBondContact O-CG 3.18Å; L411-K415 PolarHBondContact O-N 3.01Å
412S92.7Very high93.7Very high78 Ų7867.2 Ų67.255%0.54536%0.364SS..Hα-helixtrans-56.4-43.9177.451.20000112.7P410 K415 Y416P410-S412 VanDerWaalsContact C-N 3.29Å; P410-S412 PolarHBondContact O-N 3.25Å; S412-K415 PolarHBondContact O-N 3.42Å; S412-Y416 WeakPolarHBondContact O-CB 3.5Å; S412-Y416 PolarHBondContact O-N 3.48Å
413L93.6Very high93.1Very high67 Ų6762.3 Ų62.335%0.35135%0.35SS..Hα-helixtrans-69.5-35.6177-69.7-177.4000112.2L409 P410 L411 Y416 L417L409-L413 HydrophobicContact CB-CB 4.38Å; P410-L413 HydrophobicContact CG-CD1 4.42Å; P410-L413 PolarHBondContact O-N 2.9Å; P410-L413 VanDerWaalsContact O-N 3.12Å; L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.4Å; L413-Y416 PolarHBondContact O-N 3.49Å; L413-L417 WeakPolarHBondContact O-CB 3.32Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 3.08Å
414K94.9Very high92.3Very high42 Ų4265 Ų6518%0.18336%0.361CS..Hα-helixtrans-61.8-46.7173.6-69.3-179.7176.8-177.20111.3I404 P405 L407 L409 P410 L411 Y416 L417 L418I404-K414 HydrophobicContact CG2-CB 4.11Å; I404-K414 HydrophobicContact CG2-CG 4.23Å; P405-K414 PolarHBondContact O-NZ 2.89Å; L407-K414 WeakPolarHBondContact O-CE 3.26Å; L407-K414 PolarHBondContact O-NZ 2.96Å; L409-K414 HydrophobicContact CB-CG 4.13Å; L409-K414 WeakPolarHBondContact O-CE 3.37Å; P410-K414 PolarHBondContact O-N 2.84Å; P410-K414 VanDerWaalsContact O-N 3.09Å; L411-K414 WeakPolarHBondContact O-CB 3.42Å; L411-K414 PolarHBondContact O-N 3.23Å; L411-K414 VanDerWaalsContact O-N 3.12Å; K414-Y416 PolarHBondContact O-N 3.29Å; K414-L417 PolarHBondContact O-N 3.39Å; K414-L418 WeakPolarHBondContact O-CB 3.25Å; K414-L418 WeakPolarHBondContact O-CG 3.41Å; K414-L418 PolarHBondContact O-N 3.42Å
415K94.3Very high91.7Very high95 Ų9565.2 Ų65.241%0.41336%0.362SS..Hα-helixtrans-59.5-45.4176.4-67.3-172.8160.4-142.30111.9L411 S412 L417 L418 L419 E420L411-K415 VanDerWaalsContact O-CG 3.3Å; L411-K415 WeakPolarHBondContact O-CG 3.18Å; L411-K415 PolarHBondContact O-N 3.01Å; S412-K415 PolarHBondContact O-N 3.42Å; K415-L417 PolarHBondContact O-N 3.21Å; K415-L418 CarbonylContact O-C 3.46Å; K415-L418 PolarHBondContact O-N 3.18Å; K415-L418 VanDerWaalsContact O-N 3.14Å; K415-L419 PolarHBondContact O-N 2.93Å; K415-E420 HydrophobicContact CB-CB 4.05Å; K415-E420 WeakPolarHBondContact CB-OE2 3.42Å; K415-E420 WeakPolarHBondContact CD-OE2 3.34Å; K415-E420 VanDerWaalsContact CE-OE2 3.27Å; K415-E420 WeakPolarHBondContact CE-OE2 3.17Å; K415-E420 WeakPolarHBondContact CG-OE2 3.36Å; K415-E420 IonicContact NZ-OE1 2.7Å; K415-E420 PolarHBondContact NZ-OE1 3.45Å; K415-E420 IonicContact NZ-OE2 2.74Å; K415-E420 PolarHBondContact NZ-OE2 2.78Å; K415-E420 PolarHBondContact O-N 2.88Å
416Y93.7Very high90.6Very high32 Ų3269.7 Ų69.713%0.12537%0.372CS..Hα-helixtrans-59-44.5175.8-178.9-106.1000112.9M385 H386 R389 S412 L413 K414 L418 L419M385-Y416 HydrophobicContact CE-CD1 4.34Å; M385-Y416 HydrophobicContact CE-CD2 4.1Å; M385-Y416 HydrophobicContact CE-CE1 3.88Å; M385-Y416 HydrophobicContact CE-CE2 3.63Å; M385-Y416 HydrophobicContact CE-CG 4.44Å; M385-Y416 HydrophobicContact CG-CD1 4.5Å; M385-Y416 HydrophobicContact CG-CE1 3.8Å; M385-Y416 HydrophobicContact SD-CE1 4.45Å; H386-Y416 VanDerWaalsContact CA-OH 3.28Å; H386-Y416 WeakPolarHBondContact CA-OH 3.5Å; H386-Y416 PolarHBondContact N-OH 3.45Å; R389-Y416 HydrophobicContact CB-CD1 4.17Å; R389-Y416 HydrophobicContact CB-CE1 3.54Å; R389-Y416 WeakPolarHBondContact CD-O 3.44Å; R389-Y416 HydrophobicContact CG-CD1 4.46Å; R389-Y416 HydrophobicContact CG-CE1 4.11Å; S412-Y416 WeakPolarHBondContact O-CB 3.5Å; S412-Y416 PolarHBondContact O-N 3.48Å; L413-Y416 PolarHBondContact O-N 3.49Å; K414-Y416 PolarHBondContact O-N 3.29Å; Y416-L418 VanDerWaalsContact C-N 3.31Å; Y416-L418 PolarHBondContact O-N 3.22Å; Y416-L419 PolarHBondContact O-N 3.47Å
417L94.8Very high90.4Very high9 Ų965.9 Ų65.95%0.04735%0.352CS..Hα-helixtrans-67.2-31.3177-69.8174.1000112.5R389 I392 R393 I404 L407 L409 L413 K414 K415 L419R389-L417 HydrophobicContact CB-CD2 4Å; R389-L417 HydrophobicContact CG-CD2 4.12Å; I392-L417 HydrophobicContact CB-CD2 4.18Å; I392-L417 HydrophobicContact CD1-CD1 4.44Å; I392-L417 HydrophobicContact CD1-CD2 3.86Å; I392-L417 HydrophobicContact CG2-CD1 4.39Å; I392-L417 HydrophobicContact CG2-CD2 4.14Å; R393-L417 WeakPolarHBondContact CD-O 3.04Å; R393-L417 PolarHBondContact NH1-O 2.79Å; I404-L417 HydrophobicContact CD1-CB 3.79Å; I404-L417 HydrophobicContact CG1-CB 4.33Å; I404-L417 HydrophobicContact CG2-CB 4Å; I404-L417 HydrophobicContact CG2-CD1 4.22Å; L407-L417 HydrophobicContact CD1-CD1 4.47Å; L409-L417 HydrophobicContact CD1-CD1 3.65Å; L413-L417 WeakPolarHBondContact O-CB 3.32Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 3.08Å; K414-L417 PolarHBondContact O-N 3.39Å; K415-L417 PolarHBondContact O-N 3.21Å; L417-L419 VanDerWaalsContact C-N 3.27Å; L417-L419 PolarHBondContact O-N 3.43Å
418L95.5Very high90.3Very high35 Ų3566.1 Ų66.118%0.18335%0.353CS..THydrogen-bonded Turntrans-84.28.2177-72.7169.1000113.9Q309 N313 I404 K414 K415 Y416 E420Q309-L418 VanDerWaalsContact CG-O 3.25Å; Q309-L418 WeakPolarHBondContact CG-O 3.47Å; Q309-L418 PolarHBondContact NE2-O 3.18Å; N313-L418 PolarHBondContact ND2-O 3.01Å; N313-L418 PolarHBondContact OD1-O 3.14Å; I404-L418 HydrophobicContact CB-CD2 4.18Å; I404-L418 HydrophobicContact CB-CG 4.21Å; I404-L418 HydrophobicContact CD1-CD2 3.71Å; I404-L418 HydrophobicContact CD1-CG 4.01Å; I404-L418 HydrophobicContact CG2-CD1 4.22Å; I404-L418 HydrophobicContact CG2-CD2 4.48Å; I404-L418 HydrophobicContact CG2-CG 3.95Å; K414-L418 WeakPolarHBondContact O-CB 3.25Å; K414-L418 WeakPolarHBondContact O-CG 3.41Å; K414-L418 PolarHBondContact O-N 3.42Å; K415-L418 CarbonylContact O-C 3.46Å; K415-L418 PolarHBondContact O-N 3.18Å; K415-L418 VanDerWaalsContact O-N 3.14Å; Y416-L418 VanDerWaalsContact C-N 3.31Å; Y416-L418 PolarHBondContact O-N 3.22Å; L418-E420 VanDerWaalsContact C-N 3.31Å; L418-E420 PolarHBondContact O-N 3.08Å
419L95.3Very high90.1Very high1 Ų162.4 Ų62.41%0.00532%0.322CS..THydrogen-bonded Turntrans59.336.3179.8-51.7174000113.4Q309 L312 V340 N343 A344 R393 K415 Y416 L417Q309-L419 HydrophobicContact CG-CB 4.43Å; L312-L419 HydrophobicContact CB-CD1 3.93Å; L312-L419 HydrophobicContact CD1-CD1 4Å; V340-L419 HydrophobicContact CG1-CB 4.23Å; V340-L419 HydrophobicContact CG1-CD1 4.44Å; V340-L419 WeakPolarHBondContact CG2-O 3.47Å; N343-L419 HydrophobicContact CB-CD2 3.78Å; A344-L419 HydrophobicContact CB-CD1 4.22Å; R393-L419 VanDerWaalsContact CZ-CD1 3.43Å; R393-L419 VanDerWaalsContact NH2-CD1 3.28Å; K415-L419 PolarHBondContact O-N 2.93Å; Y416-L419 PolarHBondContact O-N 3.47Å; L417-L419 VanDerWaalsContact C-N 3.27Å; L417-L419 PolarHBondContact O-N 3.43Å
420E94.2Very high89.9Confident76 Ų7662.4 Ų62.436%0.35532%0.321SS..  trans-68.5126.4170.8-163.9171.9151.400109.4K415 L418K415-E420 HydrophobicContact CB-CB 4.05Å; K415-E420 WeakPolarHBondContact CB-OE2 3.42Å; K415-E420 WeakPolarHBondContact CD-OE2 3.34Å; K415-E420 VanDerWaalsContact CE-OE2 3.27Å; K415-E420 WeakPolarHBondContact CE-OE2 3.17Å; K415-E420 WeakPolarHBondContact CG-OE2 3.36Å; K415-E420 IonicContact NZ-OE1 2.7Å; K415-E420 PolarHBondContact NZ-OE1 3.45Å; K415-E420 IonicContact NZ-OE2 2.74Å; K415-E420 PolarHBondContact NZ-OE2 2.78Å; K415-E420 PolarHBondContact O-N 2.88Å; L418-E420 VanDerWaalsContact C-N 3.31Å; L418-E420 PolarHBondContact O-N 3.08Å
421P92.3Very high89.5Confident27 Ų2761.4 Ų61.418%0.17531%0.31CS..  trans-77.2136.3-175.228.4-32.6000112.3E305 K336 E339 V340E305-P421 HydrophobicContact CB-CG 4.45Å; E305-P421 HydrophobicContact CG-CG 4.39Å; K336-P421 HydrophobicContact CB-CB 3.87Å; K336-P421 HydrophobicContact CB-CG 4Å; K336-P421 HydrophobicContact CD-CG 4.3Å; K336-P421 HydrophobicContact CG-CB 4.14Å; K336-P421 HydrophobicContact CG-CG 4.36Å; E339-P421 HydrophobicContact CB-CB 4.48Å; E339-P421 WeakPolarHBondContact OE1-CA 3.48Å; E339-P421 WeakPolarHBondContact OE2-CB 3.39Å; V340-P421 HydrophobicContact CG2-CB 4.05Å; V340-P421 HydrophobicContact CG2-CG 4.02Å
422E87.2Confident89.3Confident118 Ų11856.5 Ų56.555%0.55128%0.284SS*.  trans-103.1-11.7177.8-65.3-177.3169.400112.6E339 Y426E339-E422 PolarHBondContact OE1-N 3.14Å; E339-E422 PolarHBondContact OE2-N 3.03Å; E422-Y426 VanDerWaalsContact OE2-CE2 3.32Å; E422-Y426 WeakPolarHBondContact OE2-CE2 3.44Å
423G79.9Confident89Confident26 Ų2655 Ų5527%0.26827%0.265SS..SBendtrans89.6-0.9-17700000114.2E339E339-G423 VanDerWaalsContact OE2-CA 3.26Å; E339-G423 WeakPolarHBondContact OE2-CA 3.41Å; E339-G423 PolarHBondContact OE2-N 3.11Å
424I78.3Confident88.7Confident79 Ų7954.1 Ų54.141%0.40526%0.258SS..SBendtrans-138.8144.4-179.6-58.9177.2000108.7Y426I424-Y426 HydrophobicContact CB-CE2 4.34Å; I424-Y426 HydrophobicContact CG2-CD1 4.43Å; I424-Y426 HydrophobicContact CG2-CE1 4.03Å; I424-Y426 HydrophobicContact CG2-CE2 4.39Å
425I81.6Confident88.1Confident6 Ų655.1 Ų55.13%0.03127%0.265CS..  trans-104.8115.7176.3-60171.7000109.2E339 V342 F369 S372 L373 V376E339-I425 HydrophobicContact CG-CG1 3.94Å; V342-I425 HydrophobicContact CG1-CD1 4.25Å; F369-I425 HydrophobicContact CE2-CD1 3.75Å; F369-I425 HydrophobicContact CE2-CG1 3.95Å; F369-I425 HydrophobicContact CZ-CD1 3.9Å; S372-I425 WeakPolarHBondContact OG-CA 3.46Å; S372-I425 WeakPolarHBondContact OG-CB 3.45Å; S372-I425 PolarHBondContact OG-N 3.06Å; S372-I425 VanDerWaalsContact OG-N 3.12Å; S372-I425 PolarHBondContact OG-O 3.31Å; L373-I425 HydrophobicContact CB-CD1 4.07Å; L373-I425 HydrophobicContact CD1-CD1 3.4Å; L373-I425 VanDerWaalsContact CD1-CD1 3.4Å; L373-I425 HydrophobicContact CG-CD1 4.33Å; V376-I425 HydrophobicContact CB-CG2 4.2Å; V376-I425 HydrophobicContact CG1-CG2 3.97Å; V376-I425 HydrophobicContact CG2-CG2 4.42Å
426Y70.7Confident87.6Confident157 Ų15751.5 Ų51.562%0.61625%0.251SS*.  trans-91.10176.5-56.9-77.3000113.2E422 I424E422-Y426 VanDerWaalsContact OE2-CE2 3.32Å; E422-Y426 WeakPolarHBondContact OE2-CE2 3.44Å; I424-Y426 HydrophobicContact CB-CE2 4.34Å; I424-Y426 HydrophobicContact CG2-CD1 4.43Å; I424-Y426 HydrophobicContact CG2-CE1 4.03Å; I424-Y426 HydrophobicContact CG2-CE2 4.39Å

Retrieved 426 of 426 residues in 3694 ms (Link to these results)

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