A0A087YSP5_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087YSP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 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
1M52.2Low64.1Low223 Ų223160.6 Ų160.6100%1.09972%0.717SS**  0-32.20-80.8167.288.800115.5R3 R4M1-R3 PolarHBondContact O-N 2.88Å; M1-R4 PolarHBondContact O-N 3.4Å
2K54Low65.8Low193 Ų193156.8 Ų156.884%0.83971%0.707SS**Hα-helixtrans-62.2-33.5-174.6-75.2179.5174.9178.50116.7R4 L5 H6K2-R4 PolarHBondContact O-N 2.93Å; K2-L5 PolarHBondContact O-N 3.5Å; K2-H6 PolarHBondContact O-N 2.98Å
3R52.3Low67.1Low234 Ų234152.8 Ų152.888%0.88369%0.694SS**Hα-helixtrans-69.2-30.7-179.9-108.3178.9177.6177-0.7114.6M1M1-R3 PolarHBondContact O-N 2.88Å
4R55.1Low68.3Low214 Ų214150.1 Ų150.181%0.80869%0.688SS**Hα-helixtrans-74.8-29.1176.8-80.2-174.3178.9179-0.5111.9M1 K2 K8M1-R4 PolarHBondContact O-N 3.4Å; K2-R4 PolarHBondContact O-N 2.93Å; R4-K8 WeakPolarHBondContact O-CG 3.38Å; R4-K8 PolarHBondContact O-N 3.5Å
5L55.1Low69.4Low96 Ų96144.5 Ų144.550%0.50368%0.678SS.*Hα-helixtrans-71.5-43.1178.9-150.977.4000111.4K2 K7 K8 Y9K2-L5 PolarHBondContact O-N 3.5Å; L5-K7 PolarHBondContact O-N 2.69Å; L5-K8 PolarHBondContact O-N 2.99Å; L5-K8 VanDerWaalsContact O-N 3.17Å; L5-Y9 HydrophobicContact CD2-CE2 3.95Å; L5-Y9 HydrophobicContact CG-CD2 4.25Å; L5-Y9 HydrophobicContact CG-CE2 3.75Å; L5-Y9 WeakPolarHBondContact O-CD2 3.23Å; L5-Y9 PolarHBondContact O-N 3.45Å; L5-Y9 VanDerWaalsContact O-N 3.15Å
6H61.4Low70.3Confident149 Ų149145 Ų14569%0.6967%0.673SS**Hα-helixtrans-62.1-37.9175.9-94.636.9000113.9K2 K8 Y9 L10K2-H6 PolarHBondContact O-N 2.98Å; H6-K8 VanDerWaalsContact C-N 3.32Å; H6-K8 PolarHBondContact O-N 3.11Å; H6-Y9 PolarHBondContact O-N 3.16Å; H6-L10 WeakPolarHBondContact O-CB 3.45Å; H6-L10 PolarHBondContact O-N 3.48Å
7K66.4Low70.8Confident163 Ų163139.5 Ų139.571%0.70965%0.654SS**Hα-helixtrans-64.2-36.6174.5-80.9-170.4174.3-171.70112.3L5 L10 V11L5-K7 PolarHBondContact O-N 2.69Å; K7-L10 PolarHBondContact O-N 3.27Å; K7-V11 VanDerWaalsContact O-CG2 3.27Å; K7-V11 WeakPolarHBondContact O-CG2 3.31Å; K7-V11 PolarHBondContact O-N 2.61Å; K7-V11 VanDerWaalsContact O-N 3.11Å
8K70.3Confident71.5Confident150 Ų150133.4 Ų133.465%0.65264%0.635SS**Hα-helixtrans-67-41.3177.4-71.5-177.2176.3-168.10112R4 L5 H6 V11 L12R4-K8 WeakPolarHBondContact O-CG 3.38Å; R4-K8 PolarHBondContact O-N 3.5Å; L5-K8 PolarHBondContact O-N 2.99Å; L5-K8 VanDerWaalsContact O-N 3.17Å; H6-K8 VanDerWaalsContact C-N 3.32Å; H6-K8 PolarHBondContact O-N 3.11Å; K8-V11 PolarHBondContact O-N 3.08Å; K8-L12 WeakPolarHBondContact O-CB 3.41Å; K8-L12 PolarHBondContact O-N 3.36Å
9Y75.6Confident71.9Confident139 Ų139131.8 Ų131.855%0.54563%0.63SS.*Hα-helixtrans-68.1-38.6175.6-74.7-69.5000112.9L5 H6 V11 L12 I13L5-Y9 HydrophobicContact CD2-CE2 3.95Å; L5-Y9 HydrophobicContact CG-CD2 4.25Å; L5-Y9 HydrophobicContact CG-CE2 3.75Å; L5-Y9 WeakPolarHBondContact O-CD2 3.23Å; L5-Y9 PolarHBondContact O-N 3.45Å; L5-Y9 VanDerWaalsContact O-N 3.15Å; H6-Y9 PolarHBondContact O-N 3.16Å; Y9-V11 VanDerWaalsContact C-N 3.34Å; Y9-V11 PolarHBondContact O-N 3.02Å; Y9-L12 PolarHBondContact O-N 3.16Å; Y9-I13 VanDerWaalsContact O-CG1 3.27Å; Y9-I13 WeakPolarHBondContact O-CG1 3.41Å; Y9-I13 PolarHBondContact O-N 2.83Å
10L78.4Confident71.9Confident110 Ų110129.7 Ų129.758%0.57662%0.622SS**Hα-helixtrans-63.1-41.7176.7-159.589.4000111.7H6 K7 I13 L14H6-L10 WeakPolarHBondContact O-CB 3.45Å; H6-L10 PolarHBondContact O-N 3.48Å; K7-L10 PolarHBondContact O-N 3.27Å; L10-I13 PolarHBondContact O-N 2.83Å; L10-L14 HydrophobicContact CD2-CD1 4.43Å; L10-L14 HydrophobicContact CG-CD1 4.42Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.86Å
11V84.1Confident71.8Confident96 Ų96130 Ų13058%0.58263%0.626SS**Hα-helixtrans-65.6-39.8176172.30000111.1K7 K8 Y9 L14 A15K7-V11 VanDerWaalsContact O-CG2 3.27Å; K7-V11 WeakPolarHBondContact O-CG2 3.31Å; K7-V11 PolarHBondContact O-N 2.61Å; K7-V11 VanDerWaalsContact O-N 3.11Å; K8-V11 PolarHBondContact O-N 3.08Å; Y9-V11 VanDerWaalsContact C-N 3.34Å; Y9-V11 PolarHBondContact O-N 3.02Å; V11-L14 PolarHBondContact O-N 2.63Å; V11-A15 VanDerWaalsContact O-CB 3.28Å; V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.45Å
12L84.2Confident72.5Confident115 Ų115123.9 Ų123.960%0.60260%0.598SS**Hα-helixtrans-63.7-42.1175.6-113.7145.7000112.4K8 Y9 A15 Y16K8-L12 WeakPolarHBondContact O-CB 3.41Å; K8-L12 PolarHBondContact O-N 3.36Å; Y9-L12 PolarHBondContact O-N 3.16Å; L12-A15 PolarHBondContact O-N 3Å; L12-Y16 VanDerWaalsContact O-CB 3.27Å; L12-Y16 WeakPolarHBondContact O-CB 3.07Å; L12-Y16 PolarHBondContact O-N 3.39Å
13I82.9Confident73.1Confident105 Ų105118.8 Ų118.854%0.53858%0.578SS.*Hα-helixtrans-66.5-43.1177.4-68.5165000110.6Y9 L10 Y16 S17Y9-I13 VanDerWaalsContact O-CG1 3.27Å; Y9-I13 WeakPolarHBondContact O-CG1 3.41Å; Y9-I13 PolarHBondContact O-N 2.83Å; L10-I13 PolarHBondContact O-N 2.83Å; I13-Y16 PolarHBondContact O-N 3.08Å; I13-S17 VanDerWaalsContact O-CB 3.3Å; I13-S17 WeakPolarHBondContact O-CB 3.05Å; I13-S17 PolarHBondContact O-N 3.08Å; I13-S17 PolarHBondContact O-OG 3.12Å
14L84.3Confident73.4Confident115 Ų115111.4 Ų111.460%0.60256%0.561SS**Hα-helixtrans-66.6-39.9177.9-71.1171.1000111.8L10 V11 S17 G18L10-L14 HydrophobicContact CD2-CD1 4.43Å; L10-L14 HydrophobicContact CG-CD1 4.42Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.86Å; V11-L14 PolarHBondContact O-N 2.63Å; L14-S17 PolarHBondContact O-N 3.39Å; L14-G18 PolarHBondContact O-N 2Å
15A84.1Confident73.6Confident65 Ų65108.4 Ų108.454%0.53755%0.551SS.*Hα-helixtrans-64.7-43.417500000111.8V11 L12 G18 L19V11-A15 VanDerWaalsContact O-CB 3.28Å; V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.45Å; L12-A15 PolarHBondContact O-N 3Å; A15-G18 PolarHBondContact O-N 3.17Å; A15-L19 WeakPolarHBondContact O-CB 3.18Å; A15-L19 PolarHBondContact O-N 3.05Å
16Y84.4Confident73.8Confident153 Ų153108.2 Ų108.260%0.655%0.553SS**Hα-helixtrans-67.2-38.7177.5-167.6-102.2000112.2L12 I13 L19 L20L12-Y16 VanDerWaalsContact O-CB 3.27Å; L12-Y16 WeakPolarHBondContact O-CB 3.07Å; L12-Y16 PolarHBondContact O-N 3.39Å; I13-Y16 PolarHBondContact O-N 3.08Å; Y16-L19 PolarHBondContact O-N 3.09Å; Y16-L20 HydrophobicContact CD1-CD1 3.73Å; Y16-L20 HydrophobicContact CD1-CG 4.37Å; Y16-L20 HydrophobicContact CE1-CD1 3.47Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.47Å; Y16-L20 HydrophobicContact CE1-CG 4.13Å; Y16-L20 WeakPolarHBondContact O-CG 3.01Å; Y16-L20 PolarHBondContact O-N 3.09Å
17S78.8Confident73.5Confident51 Ų51106.4 Ų106.436%0.35755%0.548SS..Hα-helixtrans-65.9-40.2175.1-53.90000111.7I13 L14 L20 L21I13-S17 VanDerWaalsContact O-CB 3.3Å; I13-S17 WeakPolarHBondContact O-CB 3.05Å; I13-S17 PolarHBondContact O-N 3.08Å; I13-S17 PolarHBondContact O-OG 3.12Å; L14-S17 PolarHBondContact O-N 3.39Å; S17-L20 PolarHBondContact O-N 3.23Å; S17-L21 WeakPolarHBondContact O-CG 3.03Å; S17-L21 PolarHBondContact O-N 3.31Å; S17-L21 VanDerWaalsContact O-N 3.16Å
18G82.8Confident72.6Confident30 Ų30102.8 Ų102.831%0.30954%0.537SS..Hα-helixtrans-65-39.7173.900000112.8L14 A15 L21 L22L14-G18 PolarHBondContact O-N 2Å; A15-G18 PolarHBondContact O-N 3.17Å; G18-L21 PolarHBondContact O-N 2.82Å; G18-L22 WeakPolarHBondContact O-CG 3Å; G18-L22 PolarHBondContact O-N 3.31Å; G18-L22 VanDerWaalsContact O-N 3.08Å
19L79.4Confident71.4Confident103 Ų10399.2 Ų99.254%0.53953%0.525SS..Hα-helixtrans-65.1-42.9176.3-16082.2000111.7A15 Y16 L21 L22 I23A15-L19 WeakPolarHBondContact O-CB 3.18Å; A15-L19 PolarHBondContact O-N 3.05Å; Y16-L19 PolarHBondContact O-N 3.09Å; L19-L21 VanDerWaalsContact C-N 3.26Å; L19-L21 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 3.09Å; L19-L22 VanDerWaalsContact O-N 3.16Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 3.49Å; L19-I23 VanDerWaalsContact O-N 3.14Å
20L71.6Confident69.7Low89 Ų89102.4 Ų102.447%0.46654%0.536SS..Hα-helixtrans-63.9-28.8175.8-79.3171.4000113.3Y16 S17 P24Y16-L20 HydrophobicContact CD1-CD1 3.73Å; Y16-L20 HydrophobicContact CD1-CG 4.37Å; Y16-L20 HydrophobicContact CE1-CD1 3.47Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.47Å; Y16-L20 HydrophobicContact CE1-CG 4.13Å; Y16-L20 WeakPolarHBondContact O-CG 3.01Å; Y16-L20 PolarHBondContact O-N 3.09Å; S17-L20 PolarHBondContact O-N 3.23Å; L20-P24 WeakPolarHBondContact O-CD 3.27Å
21L71.4Confident68.1Low136 Ų136103.2 Ų103.271%0.71254%0.541SS*.Hα-helixtrans-80.6-24.7175-70.7169.3000112.9S17 G18 L19S17-L21 WeakPolarHBondContact O-CG 3.03Å; S17-L21 PolarHBondContact O-N 3.31Å; S17-L21 VanDerWaalsContact O-N 3.16Å; G18-L21 PolarHBondContact O-N 2.82Å; L19-L21 VanDerWaalsContact C-N 3.26Å; L19-L21 PolarHBondContact O-N 3.44Å
22L65.6Low66Low96 Ų96104.5 Ų104.550%0.50354%0.539SS..Hα-helixtrans-81.1-28.2177.1-78.5164.1000113.1G18 L19 Y25 V26G18-L22 WeakPolarHBondContact O-CG 3Å; G18-L22 PolarHBondContact O-N 3.31Å; G18-L22 VanDerWaalsContact O-N 3.08Å; L19-L22 PolarHBondContact O-N 3.09Å; L19-L22 VanDerWaalsContact O-N 3.16Å; L22-Y25 WeakPolarHBondContact O-CB 3.23Å; L22-Y25 PolarHBondContact O-N 3.46Å; L22-Y25 VanDerWaalsContact O-N 3.14Å; L22-V26 WeakPolarHBondContact O-CG2 3.42Å; L22-V26 PolarHBondContact O-N 2.98Å
23I67.9Low63.7Low85 Ų85104.4 Ų104.444%0.43655%0.548SS..Hα-helixtrans-59.8-47.5179.5-69.1162.8000112.2L19 Y25 L27L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 3.49Å; L19-I23 VanDerWaalsContact O-N 3.14Å; I23-Y25 VanDerWaalsContact C-N 3.3Å; I23-Y25 PolarHBondContact O-N 3.23Å; I23-L27 HydrophobicContact CG2-CD1 3.9Å; I23-L27 WeakPolarHBondContact O-CB 3.46Å; I23-L27 VanDerWaalsContact O-CG 3.24Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 3.44Å; I23-L27 VanDerWaalsContact O-N 3.11Å
24P57Low61.6Low80 Ų80103.6 Ų103.652%0.51956%0.556SS.*Hα-helixtrans-62-36.1173.3-21.331.1000113L20 D28L20-P24 WeakPolarHBondContact O-CD 3.27Å; P24-D28 WeakPolarHBondContact O-CB 3.38Å; P24-D28 PolarHBondContact O-N 2.87Å
25Y59.6Low59.4Low150 Ų150106.4 Ų106.459%0.58857%0.566SS**Hα-helixtrans-71.1-36.8-177.2-169.6-97.3000112.8L22 I23 N29L22-Y25 WeakPolarHBondContact O-CB 3.23Å; L22-Y25 PolarHBondContact O-N 3.46Å; L22-Y25 VanDerWaalsContact O-N 3.14Å; I23-Y25 VanDerWaalsContact C-N 3.3Å; I23-Y25 PolarHBondContact O-N 3.23Å; Y25-N29 PolarHBondContact O-N 3.49Å; Y25-N29 PolarHBondContact O-ND2 2.93Å
26V59.3Low57Low92 Ų92111.1 Ų111.156%0.55858%0.583SS**Hα-helixtrans-77.5-33.6177.1176.10000111.4L22 N29 R30L22-V26 WeakPolarHBondContact O-CG2 3.42Å; L22-V26 PolarHBondContact O-N 2.98Å; V26-N29 PolarHBondContact O-N 3.14Å; V26-R30 PolarHBondContact O-N 3.04Å
27L56.7Low54.6Low111 Ų111107.8 Ų107.858%0.58159%0.586SS**Hα-helixtrans-66.6-38.4173-69171000111.7I23 N29 R30I23-L27 HydrophobicContact CG2-CD1 3.9Å; I23-L27 WeakPolarHBondContact O-CB 3.46Å; I23-L27 VanDerWaalsContact O-CG 3.24Å; I23-L27 WeakPolarHBondContact O-CG 3.46Å; I23-L27 PolarHBondContact O-N 3.44Å; I23-L27 VanDerWaalsContact O-N 3.11Å; L27-N29 VanDerWaalsContact C-N 3.35Å; L27-N29 PolarHBondContact O-N 3.23Å; L27-R30 PolarHBondContact O-N 3.35Å
28D47.4Very low52.2Low87 Ų87115.1 Ų115.147%0.46561%0.612SS.*Hα-helixtrans-68.7-28.2177-164.559.4000113.6P24 K32P24-D28 WeakPolarHBondContact O-CB 3.38Å; P24-D28 PolarHBondContact O-N 2.87Å; D28-K32 IonicContact OD2-NZ 3.81Å; D28-K32 PolarHBondContact OD2-NZ 3.17Å
29N44.1Very low49.9Very low76 Ų76122 Ų12241%0.40664%0.641SS.*Hα-helixtrans-81-18.2176.6-80.7-26.1000113.6Y25 V26 L27Y25-N29 PolarHBondContact O-N 3.49Å; Y25-N29 PolarHBondContact O-ND2 2.93Å; V26-N29 PolarHBondContact O-N 3.14Å; L27-N29 VanDerWaalsContact C-N 3.35Å; L27-N29 PolarHBondContact O-N 3.23Å
30R40.7Very low47.6Very low205 Ų205123 Ų12377%0.77465%0.654SS**Hα-helixtrans-80-29.3179.2-147.5175176.3-179.9-2.4112.2V26 L27V26-R30 PolarHBondContact O-N 3.04Å; L27-R30 PolarHBondContact O-N 3.35Å
31D43.1Very low45.4Very low128 Ų128127.5 Ų127.568%0.68467%0.672SS**Hα-helixtrans-77.9-24.4175.8-79.5-20.5000113.5S33 A34D31-S33 VanDerWaalsContact C-N 3.28Å; D31-S33 PolarHBondContact O-N 3.17Å; D31-A34 PolarHBondContact O-N 3.43Å
32K41Very low43.7Very low123 Ų123130.5 Ų130.554%0.53568%0.682SS.*THydrogen-bonded Turntrans-68.8-19.3179.5-77.7173.9-171.9147.80114.7D28D28-K32 IonicContact OD2-NZ 3.81Å; D28-K32 PolarHBondContact OD2-NZ 3.17Å
33S36.1Very low41.9Very low113 Ų113135 Ų13579%0.7970%0.701SS**THydrogen-bonded Turntrans-80.9-16.3-178.6-163.30000113.4D31D31-S33 VanDerWaalsContact C-N 3.28Å; D31-S33 PolarHBondContact O-N 3.17Å
34A37.9Very low40.5Very low87 Ų87136.4 Ų136.472%0.71972%0.716SS**SBendtrans-101.6-1.7-168.300000116D31D31-A34 PolarHBondContact O-N 3.43Å
35Q38.6Very low39.3Very low174 Ų174144 Ų14481%0.81373%0.734SS**  trans-131.122.1-170-76-171.8-13.400116.5A37Q35-A37 VanDerWaalsContact C-N 3.26Å; Q35-A37 PolarHBondContact O-N 3.01Å
36N33.4Very low38.2Very low165 Ų165142.6 Ų142.688%0.88275%0.745SS**  trans-81.270.5165.5-83-17.2000111.4
37A34.9Very low37.3Very low82 Ų82143.8 Ų143.868%0.67876%0.755SS**  trans-169.1112.8156.200000111.4Q35Q35-A37 VanDerWaalsContact C-N 3.26Å; Q35-A37 PolarHBondContact O-N 3.01Å
38K28.5Very low36.8Very low206 Ų206144 Ų14490%0.89676%0.757SS**  trans122.5112.5155.3-67.1172.4-179.3-177.60114.8
39L34.1Very low36.9Very low173 Ų173143.6 Ų143.691%0.90675%0.754SS**PPolyproline II helixtrans-62.4146158.8-96.286.8000110.3
40P30.8Very low36.9Very low126 Ų126146.8 Ų146.882%0.81877%0.766SS**PPolyproline II helixtrans-103.3128.815710.29.8000111.9
41Q25.8Very low37.3Very low182 Ų182142.1 Ų142.185%0.8576%0.757SS**PPolyproline II helixtrans-60.3157.7165.9-71.2164.8-42.600112Q43Q41-Q43 PolarHBondContact O-N 2.79Å
42Q34.8Very low37.9Very low199 Ų199139.8 Ų139.893%0.9375%0.747SS**  trans-42.2122.4167.2-72.7166.3-29.200111.7
43Q28.6Very low38.7Very low191 Ų191134.5 Ų134.589%0.89373%0.725SS**  trans-111.3134168.9-94.9-177.2-19.300111.4Q41Q41-Q43 PolarHBondContact O-N 2.79Å
44P38.1Very low39.8Very low115 Ų115131.3 Ų131.375%0.74771%0.705SS**  trans-93.9155.6176.836.4-31.4000113
45R32.8Very low40.9Very low238 Ų238132.4 Ų132.490%0.89870%0.699SS**  trans57.4117.1159.1-72.4-179.4-176.4166.91.6118.9P47R45-P47 WeakPolarHBondContact O-CD 3.28Å
46C35Very low42.3Very low122 Ų122127 Ų12782%0.82468%0.675SS**  trans-76.6121.6169.7-60.60000112
47P41Very low44Very low117 Ų117120.9 Ų120.976%0.7664%0.639SS**SBendtrans-91.93.2175.2-3.923.9000115.3R45R45-P47 WeakPolarHBondContact O-CD 3.28Å
48D46.5Very low45.1Very low116 Ų116123.1 Ų123.162%0.6264%0.64SS**SBendtrans-107.6-1.8-165.7-156.822.8000115.4T52D48-T52 PolarHBondContact O-OG1 2.96Å
49L48.1Very low46.1Very low78 Ų78119.4 Ų119.441%0.40863%0.63SS.*Hα-helixtrans-82.9-34.5-178.6-166.566.6000112.6N51 T52 V53 M311L49-N51 PolarHBondContact O-N 3.12Å; L49-T52 PolarHBondContact O-N 3.06Å; L49-V53 HydrophobicContact CG-CG2 4.42Å; L49-V53 VanDerWaalsContact O-CG2 3.31Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 2.9Å; L49-M311 HydrophobicContact CD2-SD 3.48Å; L49-M311 WeakPolarHBondContact CD2-SD 3.26Å
50E45.7Very low46.5Very low143 Ų143113.9 Ų113.967%0.66862%0.615SS**Hα-helixtrans-63.7-42.6-178.6-73-178.1167.800112.3T52 V53 A54E50-T52 PolarHBondContact O-N 3.23Å; E50-V53 PolarHBondContact O-N 3.25Å; E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.38Å
51N48.4Very low46.8Very low106 Ų106117.3 Ų117.357%0.56762%0.618SS**Hα-helixtrans-64.7-40.5177.7-75.6-20.9000112.4L49 A54 L55L49-N51 PolarHBondContact O-N 3.12Å; N51-A54 PolarHBondContact O-N 3.15Å; N51-L55 WeakPolarHBondContact O-CG 3.45Å; N51-L55 PolarHBondContact O-N 2.73Å; N51-L55 VanDerWaalsContact O-N 3.08Å
52T56.1Low47.1Very low79 Ų79118.5 Ų118.549%0.48562%0.62SS.*Hα-helixtrans-66.1-40.1177.7-56.20000111.2D48 L49 E50 L56D48-T52 PolarHBondContact O-OG1 2.96Å; L49-T52 PolarHBondContact O-N 3.06Å; E50-T52 PolarHBondContact O-N 3.23Å; T52-L56 PolarHBondContact O-N 2.96Å
53V57.9Low46.9Very low13 Ų13113 Ų1138%0.07961%0.608CS.*Hα-helixtrans-69.5-38.4176.8173.70000111.4L49 E50 L55 L56 L312 N315L49-V53 HydrophobicContact CG-CG2 4.42Å; L49-V53 VanDerWaalsContact O-CG2 3.31Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 2.9Å; E50-V53 PolarHBondContact O-N 3.25Å; V53-L55 PolarHBondContact O-N 3.17Å; V53-L56 WeakPolarHBondContact O-CB 3.09Å; V53-L56 PolarHBondContact O-N 3.3Å; V53-L312 HydrophobicContact CG1-CD1 4.11Å; V53-N315 HydrophobicContact CG1-CB 3.9Å
54A58.1Low47.2Very low45 Ų45111.8 Ų111.837%0.37261%0.608SS.*Hα-helixtrans-60.2-45.7174.800000111.6E50 N51 L56 W57 D58E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.38Å; N51-A54 PolarHBondContact O-N 3.15Å; A54-L56 VanDerWaalsContact C-N 3.27Å; A54-L56 PolarHBondContact O-N 3.22Å; A54-W57 WeakPolarHBondContact O-CA 3.3Å; A54-W57 PolarHBondContact O-N 3.24Å; A54-D58 WeakPolarHBondContact O-CB 3.32Å; A54-D58 PolarHBondContact O-N 2.98Å
55L62.8Low46.8Very low111 Ų111109.2 Ų109.258%0.58160%0.602SS**Hα-helixtrans-62.3-30.2177.5-70.8170.1000113.6N51 V53 W57N51-L55 WeakPolarHBondContact O-CG 3.45Å; N51-L55 PolarHBondContact O-N 2.73Å; N51-L55 VanDerWaalsContact O-N 3.08Å; V53-L55 PolarHBondContact O-N 3.17Å; L55-W57 PolarHBondContact O-N 3.01Å
56L66Low46.7Very low59 Ų59103.7 Ų103.731%0.30960%0.6SS.*Hα-helixtrans-61.2-35.1172.4-74.6172.2000111.2T52 V53 A54 R232 L312T52-L56 PolarHBondContact O-N 2.96Å; V53-L56 WeakPolarHBondContact O-CB 3.09Å; V53-L56 PolarHBondContact O-N 3.3Å; A54-L56 VanDerWaalsContact C-N 3.27Å; A54-L56 PolarHBondContact O-N 3.22Å; L56-R232 PolarHBondContact O-NH1 3.03Å; L56-R232 PolarHBondContact O-NH2 3.11Å; L56-L312 HydrophobicContact CD1-CD1 3.87Å
57W70.1Confident46.9Very low37 Ų37106 Ų10614%0.1460%0.604CS.*Hα-helixtrans-89.8-31.8-177.4-56.2123.1000113.8A54 L55 N59 V228 R232 L312 A316 P317 W319 V320A54-W57 WeakPolarHBondContact O-CA 3.3Å; A54-W57 PolarHBondContact O-N 3.24Å; L55-W57 PolarHBondContact O-N 3.01Å; W57-N59 PolarHBondContact O-N 3.45Å; W57-V228 HydrophobicContact CE3-CG1 4.3Å; W57-V228 HydrophobicContact CH2-CG1 4.2Å; W57-V228 HydrophobicContact CH2-CG2 3.69Å; W57-V228 HydrophobicContact CZ3-CB 4.47Å; W57-V228 HydrophobicContact CZ3-CG1 3.62Å; W57-V228 HydrophobicContact CZ3-CG2 4Å; W57-R232 VanDerWaalsContact C-NH2 3.34Å; W57-R232 VanDerWaalsContact CA-NH2 3.31Å; W57-R232 PolarHBondContact O-NH2 3.37Å; W57-L312 HydrophobicContact CH2-CD1 4.44Å; W57-L312 HydrophobicContact CZ2-CD1 3.58Å; W57-L312 HydrophobicContact CZ2-CG 4Å; W57-A316 HydrophobicContact CH2-CB 4.18Å; W57-A316 HydrophobicContact CZ2-CB 3.61Å; W57-P317 VanDerWaalsContact CD2-CD 3.41Å; W57-P317 HydrophobicContact CD2-CG 4.08Å; W57-P317 HydrophobicContact CE3-CG 3.94Å; W57-P317 HydrophobicContact CG-CG 4.39Å; W57-P317 HydrophobicContact CZ3-CG 4.49Å; W57-W319 HydrophobicContact CE3-CZ2 4.02Å; W57-W319 HydrophobicContact CZ3-CH2 4.06Å; W57-W319 AromaticContact CZ3-CZ2 3.91Å; W57-W319 HydrophobicContact CZ3-CZ2 3.91Å; W57-V320 HydrophobicContact CE3-CG2 4.13Å; W57-V320 HydrophobicContact CH2-CB 4.3Å; W57-V320 HydrophobicContact CH2-CG1 3.96Å; W57-V320 HydrophobicContact CH2-CG2 3.52Å; W57-V320 HydrophobicContact CZ2-CG2 4.41Å; W57-V320 HydrophobicContact CZ3-CG2 3.35Å
58D58.3Low46.4Very low129 Ų129104.7 Ų104.769%0.6960%0.604SS**Hα-helixtrans-81.9-11.2-168.6-117.41.7000115.8A54 G60A54-D58 WeakPolarHBondContact O-CB 3.32Å; A54-D58 PolarHBondContact O-N 2.98Å; D58-G60 VanDerWaalsContact C-N 3.33Å; D58-G60 PolarHBondContact O-N 3.5Å
59N48.5Very low46.1Very low128 Ų128104.6 Ų104.668%0.68462%0.619SS**  trans-80.582.2175.9-78.7-21.5000111.3W57W57-N59 PolarHBondContact O-N 3.45Å
60G44.1Very low45.3Very low58 Ų58109.8 Ų109.860%0.59864%0.641SS**SBendtrans-165.799.617100000113.8D58D58-G60 VanDerWaalsContact C-N 3.33Å; D58-G60 PolarHBondContact O-N 3.5Å
61F36.4Very low44.9Very low198 Ų198110.8 Ų110.887%0.86865%0.651SS**  trans50.895.2147.3-88.6-103.4000117.7A63F61-A63 PolarHBondContact O-N 3.28Å
62K31.3Very low44.5Very low207 Ų207111.6 Ų111.690%0.966%0.662SS**  trans-68.683.6146.5-72.6-173.5179.9-178.70108.3N64K62-N64 PolarHBondContact O-N 3.07Å
63A32Very low43.4Very low82 Ų82111.4 Ų111.468%0.67867%0.668SS**  trans-74.8101.9160.600000107.1F61 G65F61-A63 PolarHBondContact O-N 3.28Å; A63-G65 PolarHBondContact O-N 3.5Å; A63-G65 VanDerWaalsContact O-N 3.11Å
64N33.8Very low42.5Very low167 Ų167117 Ų11789%0.89371%0.705SS**  trans-64.2106.4161.7-82-9000107.4K62K62-N64 PolarHBondContact O-N 3.07Å
65G30.6Very low41.5Very low61 Ų61120.6 Ų120.663%0.62972%0.723SS**  trans-155.9101.4172.900000107.9A63 D67A63-G65 PolarHBondContact O-N 3.5Å; A63-G65 VanDerWaalsContact O-N 3.11Å; G65-D67 PolarHBondContact O-N 3.25Å
66S31.2Very low40.2Very low121 Ų121123.4 Ų123.485%0.84674%0.738SS**  trans-46.9129.1171.9440000111.6A68S66-A68 PolarHBondContact O-N 3.23Å; S66-A68 VanDerWaalsContact O-N 3.13Å
67D37.2Very low39Very low170 Ų170129.5 Ų129.591%0.90976%0.762SS**  trans-54.3111.3170.5-70.1-51000110.8G65G65-D67 PolarHBondContact O-N 3.25Å
68A30.5Very low38Very low91 Ų91133 Ų13375%0.75279%0.793SS**  trans-125.4117.2158.200000107.4S66 E70S66-A68 PolarHBondContact O-N 3.23Å; S66-A68 VanDerWaalsContact O-N 3.13Å; A68-E70 PolarHBondContact O-N 3.49Å
69A41.4Very low38.1Very low113 Ų113135.7 Ų135.793%0.93480%0.801SS**  trans-63.8112.7178.800000110.4
70E31.7Very low39.7Very low187 Ų187133.6 Ų133.687%0.87480%0.796SS**  trans-123.3119.8165.2-113.6-179.7173.100109.3A68A68-E70 PolarHBondContact O-N 3.49Å
71N37.3Very low42.1Very low164 Ų164133 Ų13388%0.87778%0.776SS**  trans-58.7126.9175.5-72.7-48.6000110.1A73N71-A73 PolarHBondContact O-N 2.02Å
72P39.8Very low45Very low124 Ų124124.2 Ų124.281%0.80574%0.738SS**  trans-78.7114.317428.2-26.3000109.4
73A32.7Very low48.2Very low75 Ų75114.8 Ų114.862%0.6270%0.697SS**  trans-52.1153.1161.300000110.8N71 T75N71-A73 PolarHBondContact O-N 2.02Å; A73-T75 PolarHBondContact O-N 3.22Å
74P38.2Very low51.4Low131 Ų131110.9 Ų110.985%0.85167%0.665SS**  trans-70.794.9-175.629-32.5000109.6N76P74-N76 PolarHBondContact O-N 3.49Å
75T37.4Very low54.5Low120 Ų120102.9 Ų102.974%0.73662%0.622SS**  trans-72.1120.6164.840.20000107.7A73 K77A73-T75 PolarHBondContact O-N 3.22Å; T75-K77 VanDerWaalsContact C-N 3.29Å; T75-K77 PolarHBondContact O-N 3.04Å
76N36Very low57.7Low170 Ų170100 Ų10091%0.90959%0.593SS**  trans-52.994.8167.1-92.8-25.8000108.6P74 S78P74-N76 PolarHBondContact O-N 3.49Å; N76-S78 VanDerWaalsContact C-N 3.34Å; N76-S78 PolarHBondContact O-N 2.95Å
77K39.8Very low60.9Low187 Ų18794.5 Ų94.581%0.81355%0.553SS**  trans-62.399.6167.7-74.6-178.8-180177.20106.4T75 Q79T75-K77 VanDerWaalsContact C-N 3.29Å; T75-K77 PolarHBondContact O-N 3.04Å; K77-Q79 PolarHBondContact O-N 3.47Å
78S49.3Very low63.8Low111 Ų11186.6 Ų86.678%0.77651%0.512SS*.  trans-52.5118.3151.367.30000105N76 S80N76-S78 VanDerWaalsContact C-N 3.34Å; N76-S78 PolarHBondContact O-N 2.95Å; S78-S80 PolarHBondContact O-N 3.01Å
79Q60.9Low66.9Low185 Ų18582.5 Ų82.586%0.86448%0.478SS*.  trans-55.9113.6-171.7-83.6174.8-23.700108.3K77 R81K77-Q79 PolarHBondContact O-N 3.47Å; Q79-R81 PolarHBondContact O-N 3.29Å
80S83.1Confident69.5Low84 Ų8477.7 Ų77.759%0.58744%0.435SS*.PPolyproline II helixtrans-64.6132.9179.769.70000108.6S78 T82S78-S80 PolarHBondContact O-N 3.01Å; S80-T82 PolarHBondContact O-N 3.25Å
81R94Very high72.5Confident46 Ų4670.2 Ų70.217%0.17440%0.399CS..PPolyproline II helixtrans-57.2134178.9-172.9-177.1-177.1147.37.7110Q79 H83 C143 C208 Y211 P212 N237Q79-R81 PolarHBondContact O-N 3.29Å; R81-H83 PolarHBondContact O-CE1 3.1Å; R81-H83 PolarHBondContact O-ND1 2.91Å; R81-C143 PolarHBondContact NH1-SG 2.93Å; R81-C208 PolarHBondContact NH1-O 3.27Å; R81-C208 PolarHBondContact NH2-O 2.78Å; R81-Y211 VanDerWaalsContact CZ-O 3.26Å; R81-Y211 PolarHBondContact NE-O 2.83Å; R81-Y211 PolarHBondContact NH2-O 3.2Å; R81-P212 WeakPolarHBondContact CA-O 2.98Å; R81-P212 VanDerWaalsContact CG-O 3.24Å; R81-P212 WeakPolarHBondContact CG-O 3.13Å; R81-N237 WeakPolarHBondContact O-CB 2.93Å
82T97.1Very high75.3Confident12 Ų1262.4 Ų62.47%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-88.9130.7175.5-57.70000109.9S80 I84 P212 V213 M214 Q239S80-T82 PolarHBondContact O-N 3.25Å; T82-I84 HydrophobicContact CG2-CD1 4.4Å; T82-I84 HydrophobicContact CG2-CG1 4.11Å; T82-P212 PolarHBondContact N-O 3.25Å; T82-V213 CarbonylContact O-C 3.52Å; T82-V213 WeakPolarHBondContact O-CA 3.44Å; T82-M214 PolarHBondContact O-N 3.21Å; T82-Q239 HydrophobicContact CG2-CG 4.3Å
83H98.4Very high77.9Confident9 Ų957.3 Ų57.34%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-113133.6178-52.592.5000108.6R81 Y141 M214 I236 N237 L238 Q239R81-H83 PolarHBondContact O-CE1 3.1Å; R81-H83 PolarHBondContact O-ND1 2.91Å; H83-Y141 HydrophobicContact CB-CD1 3.66Å; H83-Y141 HydrophobicContact CB-CE1 3.78Å; H83-Y141 HydrophobicContact CB-CG 4.18Å; H83-Y141 AromaticContact CD2-CD1 3.59Å; H83-Y141 AromaticContact CD2-CG 3.93Å; H83-Y141 AromaticContact CG-CD1 3.92Å; H83-Y141 PolarHBondContact NE2-O 2.98Å; H83-M214 CarbonylContact C-O 3.55Å; H83-M214 WeakPolarHBondContact CA-O 3.5Å; H83-I236 HydrophobicContact CB-CG2 4.01Å; H83-N237 WeakPolarHBondContact CB-O 3.46Å; H83-N237 PolarHBondContact N-O 3.38Å; H83-N237 PolarHBondContact ND1-N 3.48Å; H83-L238 HydrophobicContact CB-CD1 4.25Å; H83-L238 CarbonylContact O-C 3.55Å; H83-L238 WeakPolarHBondContact O-CA 3.18Å; H83-Q239 PolarHBondContact O-N 2.82Å
84I98.8Very high81Confident0 Ų053.9 Ų53.90%030%0.298CS..EExtended strand (participates in β ladder)trans-129.7126.4-174.9-58.4168.6000108.8T82 L86 F101 Y141 V213 M214 V215 I216 Q239 I241 S347T82-I84 HydrophobicContact CG2-CD1 4.4Å; T82-I84 HydrophobicContact CG2-CG1 4.11Å; I84-L86 HydrophobicContact CG2-CD2 3.8Å; I84-F101 HydrophobicContact CD1-CE1 4Å; I84-Y141 PolarHBondContact O-OH 2.91Å; I84-V213 HydrophobicContact CD1-CG1 3.63Å; I84-V213 HydrophobicContact CG1-CG1 4.36Å; I84-M214 PolarHBondContact N-O 3.04Å; I84-V215 HydrophobicContact CB-CG2 4.01Å; I84-V215 HydrophobicContact CD1-CG2 3.94Å; I84-V215 HydrophobicContact CG1-CG2 4.45Å; I84-V215 HydrophobicContact CG2-CG1 4.45Å; I84-V215 CarbonylContact O-C 3.53Å; I84-V215 WeakPolarHBondContact O-CA 3.36Å; I84-I216 PolarHBondContact O-N 2.86Å; I84-Q239 CarbonylContact C-O 3.59Å; I84-Q239 WeakPolarHBondContact CA-O 3.46Å; I84-Q239 HydrophobicContact CG1-CB 4.3Å; I84-I241 HydrophobicContact CG2-CD1 3.87Å; I84-I241 HydrophobicContact CG2-CG1 4.16Å; I84-S347 VanDerWaalsContact CD1-OG 3.26Å; I84-S347 WeakPolarHBondContact CD1-OG 3.39Å
85Y98.8Very high83.7Confident0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-102.6120.6167.2-170-111000110.5H87 M114 M137 Y141 I216 G218 V221 L227 Q239 I241Y85-H87 HydrophobicContact CD1-CB 3.69Å; Y85-H87 HydrophobicContact CE1-CB 3.65Å; Y85-H87 AromaticContact CE1-CG 3.94Å; Y85-H87 AromaticContact CE1-ND1 3.63Å; Y85-H87 PolarHBondContact O-N 3.31Å; Y85-M114 HydrophobicContact CE2-CE 3.67Å; Y85-M137 HydrophobicContact CD2-SD 3.96Å; Y85-M137 HydrophobicContact CE2-SD 3.66Å; Y85-Y141 WeakPolarHBondContact CA-OH 3.36Å; Y85-Y141 WeakPolarHBondContact CB-OH 3.39Å; Y85-Y141 PolarHBondContact N-OH 2.87Å; Y85-I216 WeakPolarHBondContact CA-O 3.23Å; Y85-I216 HydrophobicContact CD2-CB 4.34Å; Y85-I216 HydrophobicContact CD2-CG2 4.29Å; Y85-I216 WeakPolarHBondContact CD2-O 3.26Å; Y85-I216 HydrophobicContact CE2-CG2 4.31Å; Y85-G218 WeakPolarHBondContact OH-CA 3.48Å; Y85-V221 HydrophobicContact CE1-CB 4.25Å; Y85-V221 HydrophobicContact CE1-CG2 4.23Å; Y85-V221 WeakPolarHBondContact OH-CB 3.41Å; Y85-V221 WeakPolarHBondContact OH-CG2 3.41Å; Y85-L227 HydrophobicContact CD1-CD1 3.25Å; Y85-L227 HydrophobicContact CE1-CD1 3.67Å; Y85-L227 HydrophobicContact CG-CD1 3.92Å; Y85-Q239 PolarHBondContact N-O 3.21Å; Y85-I241 PolarHBondContact O-N 2.93Å
86L98.8Very high86.6Confident1 Ų144.2 Ų44.21%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-86.996.9169.4-47.2179.3000108.1I84 L97 G98 F101 Y109 V215 I216 K217 G218 I241I84-L86 HydrophobicContact CG2-CD2 3.8Å; L86-L97 HydrophobicContact CD1-CG 4.25Å; L86-L97 HydrophobicContact CD2-CD2 4.37Å; L86-G98 VanDerWaalsContact CD1-CA 3.5Å; L86-F101 HydrophobicContact CD1-CD2 3.98Å; L86-F101 HydrophobicContact CD1-CE2 4.45Å; L86-F101 HydrophobicContact CD2-CD2 4.03Å; L86-F101 HydrophobicContact CD2-CE2 3.7Å; L86-F101 HydrophobicContact CD2-CZ 4.46Å; L86-Y109 HydrophobicContact CD1-CE2 4.45Å; L86-V215 HydrophobicContact CD1-CG1 3.73Å; L86-V215 HydrophobicContact CD2-CG1 4.17Å; L86-V215 HydrophobicContact CG-CG1 3.74Å; L86-I216 PolarHBondContact N-O 2.92Å; L86-K217 HydrophobicContact CB-CB 4.36Å; L86-K217 HydrophobicContact CB-CG 4.28Å; L86-K217 HydrophobicContact CD1-CB 4.1Å; L86-K217 HydrophobicContact CD1-CG 4.24Å; L86-G218 PolarHBondContact O-N 2.95Å; L86-G218 VanDerWaalsContact O-O 3.14Å; L86-I241 CarbonylContact C-O 3.56Å; L86-I241 WeakPolarHBondContact CA-O 3.24Å; L86-I241 HydrophobicContact CD2-CB 3.94Å; L86-I241 HydrophobicContact CD2-CD1 3.94Å; L86-I241 HydrophobicContact CD2-CG1 4.35Å
87H98.3Very high89.5Confident4 Ų436.1 Ų36.12%0.01919%0.193CC..EExtended strand (participates in β ladder)trans-82.6119.4-179.3-172.537.1000110.4Y85 V221 I240 I241 Q242 L243 D309Y85-H87 HydrophobicContact CD1-CB 3.69Å; Y85-H87 HydrophobicContact CE1-CB 3.65Å; Y85-H87 AromaticContact CE1-CG 3.94Å; Y85-H87 AromaticContact CE1-ND1 3.63Å; Y85-H87 PolarHBondContact O-N 3.31Å; H87-V221 PolarHBondContact CE1-O 3.37Å; H87-V221 VanDerWaalsContact CE1-O 3.26Å; H87-I240 HydrophobicContact CB-CG2 4.01Å; H87-I241 PolarHBondContact N-O 3.39Å; H87-Q242 HydrophobicContact CB-CB 4.25Å; H87-Q242 HydrophobicContact CB-CG 4.21Å; H87-Q242 PolarHBondContact CD2-NE2 3.38Å; H87-Q242 PolarHBondContact NE2-NE2 3.22Å; H87-Q242 WeakPolarHBondContact O-CA 3.4Å; H87-L243 PolarHBondContact O-N 3.25Å; H87-D309 IonicContact CD2-OD2 3.29Å; H87-D309 IonicContact CE1-OD2 3.22Å; H87-D309 IonicContact NE2-OD2 3.13Å; H87-D309 PolarHBondContact NE2-OD2 3.38Å
88A97.6Very high92.3Very high4 Ų427.2 Ų27.23%0.03315%0.154CC..  trans-153.4176-176.700000111G218 V219 L243A88-G218 PolarHBondContact N-O 3.13Å; A88-V219 HydrophobicContact CB-CG1 4.35Å; A88-V219 VanDerWaalsContact O-CA 3.29Å; A88-V219 WeakPolarHBondContact O-CA 3.4Å; A88-L243 HydrophobicContact CB-CB 4.42Å
89T95.3Very high94.6Very high6 Ų622.1 Ų22.14%0.03712%0.118CC..  trans-118.6170.9163.6-171.50000109.9R91 T92 I302 W306T89-R91 PolarHBondContact O-N 3.34Å; T89-T92 HydrophobicContact CG2-CG2 3.39Å; T89-T92 WeakPolarHBondContact O-CG2 3.48Å; T89-T92 PolarHBondContact O-N 3.45Å; T89-T92 PolarHBondContact O-OG1 3.29Å; T89-T92 VanDerWaalsContact O-OG1 3.11Å; T89-I302 HydrophobicContact CG2-CG2 3.77Å; T89-W306 HydrophobicContact CG2-CH2 4.32Å; T89-W306 HydrophobicContact CG2-CZ2 3.53Å
90W95.5Very high96.3Very high12 Ų1213.4 Ų13.45%0.0458%0.077CC..THydrogen-bonded Turntrans-58135.9178.3-61-99.5000110.8T92 W118 V219 R220 L261 E264 V268W90-T92 PolarHBondContact O-N 3.37Å; W90-W118 HydrophobicContact CH2-CE3 4.33Å; W90-W118 AromaticContact CH2-CH2 3.72Å; W90-W118 HydrophobicContact CH2-CH2 3.72Å; W90-W118 HydrophobicContact CH2-CZ2 4.32Å; W90-W118 AromaticContact CH2-CZ3 3.74Å; W90-W118 HydrophobicContact CH2-CZ3 3.74Å; W90-W118 HydrophobicContact CZ2-CE3 4.48Å; W90-W118 HydrophobicContact CZ2-CZ3 4.28Å; W90-V219 HydrophobicContact CD2-CB 4.2Å; W90-V219 HydrophobicContact CD2-CG2 4Å; W90-V219 HydrophobicContact CG-CB 4.41Å; W90-V219 HydrophobicContact CG-CG2 4.2Å; W90-V219 WeakPolarHBondContact CH2-O 3.28Å; W90-V219 HydrophobicContact CZ2-CG2 3.98Å; W90-V219 WeakPolarHBondContact CZ3-O 3.44Å; W90-R220 HydrophobicContact CH2-CG 3.84Å; W90-R220 HydrophobicContact CZ2-CG 3.55Å; W90-L261 HydrophobicContact CB-CD2 4Å; W90-L261 HydrophobicContact CG-CD2 3.83Å; W90-E264 HydrophobicContact CH2-CB 4.19Å; W90-E264 HydrophobicContact CH2-CG 4.34Å; W90-E264 HydrophobicContact CZ2-CB 3.81Å; W90-E264 HydrophobicContact CZ2-CG 3.55Å; W90-V268 HydrophobicContact CZ3-CG2 4.18Å
91R94.8Very high97Very high30 Ų309.4 Ų9.411%0.1135%0.05CC..THydrogen-bonded Turntrans72.215174.4-45.7-57.1-61178.9-5.2116.5T89 G93 R245 S253 R254 L261 Y368 P373T89-R91 PolarHBondContact O-N 3.34Å; R91-G93 VanDerWaalsContact C-N 3.27Å; R91-G93 PolarHBondContact O-N 3.42Å; R91-R245 PolarHBondContact O-NH1 2.96Å; R91-S253 PolarHBondContact NE-O 2.97Å; R91-S253 PolarHBondContact NE-OG 3.44Å; R91-S253 PolarHBondContact NH2-OG 2.89Å; R91-R254 HydrophobicContact CB-CG 3.96Å; R91-R254 HydrophobicContact CG-CB 4.37Å; R91-R254 HydrophobicContact CG-CG 3.61Å; R91-L261 HydrophobicContact CG-CD1 3.97Å; R91-Y368 PolarHBondContact NH2-OH 3.3Å; R91-P373 PolarHBondContact NH1-O 3.27Å; R91-P373 PolarHBondContact NH2-O 3.18Å
92T96.3Very high97.2Very high0 Ų07.4 Ų7.40%04%0.043CC..SBendtrans-76.2-10.7170.358.20000114.4T89 W90 R245 V250 W306 Y329T89-T92 HydrophobicContact CG2-CG2 3.39Å; T89-T92 WeakPolarHBondContact O-CG2 3.48Å; T89-T92 PolarHBondContact O-N 3.45Å; T89-T92 PolarHBondContact O-OG1 3.29Å; T89-T92 VanDerWaalsContact O-OG1 3.11Å; W90-T92 PolarHBondContact O-N 3.37Å; T92-R245 WeakPolarHBondContact O-CD 3.34Å; T92-V250 HydrophobicContact CG2-CG2 4.2Å; T92-W306 HydrophobicContact CG2-CH2 4.16Å; T92-W306 HydrophobicContact CG2-CZ2 3.65Å; T92-Y329 WeakPolarHBondContact O-CB 3.41Å; T92-Y329 VanDerWaalsContact O-CD2 3.32Å; T92-Y329 WeakPolarHBondContact O-CD2 3.37Å; T92-Y329 VanDerWaalsContact O-CG 3.28Å
93G95.5Very high97.2Very high16 Ų166.9 Ų6.917%0.1654%0.039CC..SBendtrans95.410.2-172.200000114.1R91 S95 F96 L97R91-G93 VanDerWaalsContact C-N 3.27Å; R91-G93 PolarHBondContact O-N 3.42Å; G93-S95 PolarHBondContact O-N 3.03Å; G93-S95 VanDerWaalsContact O-N 3.11Å; G93-F96 WeakPolarHBondContact O-CB 3.47Å; G93-F96 PolarHBondContact O-N 3.48Å; G93-L97 PolarHBondContact O-N 3.34Å
94S96.9Very high97.1Very high3 Ų36.8 Ų6.82%0.0214%0.039CC..Hα-helixtrans-60.2-20.3179.256.10000114.9G98 K217S94-G98 PolarHBondContact O-N 3.47Å; S94-K217 VanDerWaalsContact CB-CE 3.43Å; S94-K217 WeakPolarHBondContact OG-CE 3.37Å; S94-K217 PolarHBondContact OG-NZ 2.93Å
95S95.8Very high96.9Very high28 Ų287.9 Ų7.920%0.1965%0.046CC..Hα-helixtrans-68.6-36.3172.1-50.50000112.2G93 E99 Y111 K217G93-S95 PolarHBondContact O-N 3.03Å; G93-S95 VanDerWaalsContact O-N 3.11Å; S95-E99 VanDerWaalsContact O-CB 3.31Å; S95-E99 WeakPolarHBondContact O-CB 3.46Å; S95-E99 PolarHBondContact O-N 2.58Å; S95-Y111 PolarHBondContact OG-OH 3.34Å; S95-K217 PolarHBondContact OG-NZ 2.88Å
96F96.8Very high96.8Very high20 Ų2011.1 Ų11.19%0.0886%0.063CC..Hα-helixtrans-69-48.4173.4171.1-129.6000110.7G93 G98 E99 L100 Y329 L332 V333 M362 T363G93-F96 WeakPolarHBondContact O-CB 3.47Å; G93-F96 PolarHBondContact O-N 3.48Å; F96-G98 VanDerWaalsContact C-N 3.33Å; F96-G98 PolarHBondContact O-N 2.97Å; F96-E99 WeakPolarHBondContact O-CB 3.35Å; F96-E99 PolarHBondContact O-N 3.31Å; F96-E99 VanDerWaalsContact O-N 3.09Å; F96-L100 HydrophobicContact CD2-CG 4.42Å; F96-L100 HydrophobicContact CE1-CD1 4.39Å; F96-L100 HydrophobicContact CE2-CD1 4.34Å; F96-L100 HydrophobicContact CE2-CD2 3.72Å; F96-L100 HydrophobicContact CE2-CG 4Å; F96-L100 HydrophobicContact CZ-CD1 4.1Å; F96-L100 HydrophobicContact CZ-CD2 4.03Å; F96-L100 HydrophobicContact CZ-CG 4.26Å; F96-L100 PolarHBondContact O-N 3.48Å; F96-Y329 HydrophobicContact CD1-CE2 4.42Å; F96-L332 HydrophobicContact CD1-CD2 3.9Å; F96-L332 HydrophobicContact CD1-CG 4.18Å; F96-L332 HydrophobicContact CE1-CD1 4.4Å; F96-L332 HydrophobicContact CE1-CD2 4.1Å; F96-L332 HydrophobicContact CE1-CG 3.88Å; F96-V333 HydrophobicContact CD1-CG1 4.14Å; F96-V333 HydrophobicContact CE1-CG1 4.1Å; F96-M362 HydrophobicContact CD2-CB 4.07Å; F96-M362 HydrophobicContact CD2-CE 4.48Å; F96-M362 HydrophobicContact CE2-CB 3.47Å; F96-M362 VanDerWaalsContact CE2-CB 3.47Å; F96-M362 HydrophobicContact CE2-CG 4.2Å; F96-M362 HydrophobicContact CZ-CB 4.23Å; F96-T363 HydrophobicContact CE1-CG2 3.81Å; F96-T363 HydrophobicContact CZ-CG2 3.7Å
97L98.2Very high96.8Very high1 Ų111.3 Ų11.31%0.0056%0.064CC..Hα-helixtrans-56-46.8176175.962000112L86 G93 E99 L100 F101 I241 L243 L327 L332 L343L86-L97 HydrophobicContact CD1-CG 4.25Å; L86-L97 HydrophobicContact CD2-CD2 4.37Å; G93-L97 PolarHBondContact O-N 3.34Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3Å; L97-L100 WeakPolarHBondContact O-CB 3.18Å; L97-L100 PolarHBondContact O-N 3.12Å; L97-F101 HydrophobicContact CD1-CE2 4.17Å; L97-F101 WeakPolarHBondContact O-CD2 3.42Å; L97-I241 HydrophobicContact CD2-CG2 4.22Å; L97-L243 HydrophobicContact CB-CD2 4.4Å; L97-L243 HydrophobicContact CD2-CB 4.1Å; L97-L243 HydrophobicContact CD2-CD1 4.48Å; L97-L243 HydrophobicContact CD2-CD2 4.22Å; L97-L327 HydrophobicContact CD1-CD2 3.94Å; L97-L327 HydrophobicContact CD2-CD2 4.16Å; L97-L332 HydrophobicContact CB-CD2 4Å; L97-L332 HydrophobicContact CD1-CD2 4.18Å; L97-L343 HydrophobicContact CD1-CD1 3.65Å; L97-L343 HydrophobicContact CD1-CD2 4.36Å
98G97.8Very high96.8Very high0 Ų011.1 Ų11.10%06%0.063CC..Hα-helixtrans-64.9-35.7176.800000113.1L86 S94 F96 L100 F101 N102 Y109L86-G98 VanDerWaalsContact CD1-CA 3.5Å; S94-G98 PolarHBondContact O-N 3.47Å; F96-G98 VanDerWaalsContact C-N 3.33Å; F96-G98 PolarHBondContact O-N 2.97Å; G98-L100 VanDerWaalsContact C-N 3.33Å; G98-L100 PolarHBondContact O-N 3.22Å; G98-F101 PolarHBondContact O-N 3.49Å; G98-N102 PolarHBondContact O-N 3.26Å; G98-Y109 WeakPolarHBondContact CA-OH 3.27Å; G98-Y109 WeakPolarHBondContact O-CE2 3.35Å
99E97.4Very high96.8Very high4 Ų411.2 Ų11.22%0.0196%0.063CC..Hα-helixtrans-63.2-38.7175.4-166.858.4-135.300111.8S95 F96 L97 F101 N102 Q103 L187 F358 I376S95-E99 VanDerWaalsContact O-CB 3.31Å; S95-E99 WeakPolarHBondContact O-CB 3.46Å; S95-E99 PolarHBondContact O-N 2.58Å; F96-E99 WeakPolarHBondContact O-CB 3.35Å; F96-E99 PolarHBondContact O-N 3.31Å; F96-E99 VanDerWaalsContact O-N 3.09Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3Å; E99-F101 PolarHBondContact O-N 3.35Å; E99-N102 WeakPolarHBondContact O-CB 3.15Å; E99-N102 PolarHBondContact O-N 3.05Å; E99-N102 VanDerWaalsContact O-N 3.09Å; E99-N102 PolarHBondContact OE1-ND2 3.05Å; E99-Q103 WeakPolarHBondContact O-CG 3.29Å; E99-Q103 PolarHBondContact O-N 3.46Å; E99-Q103 PolarHBondContact OE1-NE2 3.05Å; E99-L187 HydrophobicContact CG-CD2 3.71Å; E99-F358 HydrophobicContact CG-CE1 4.23Å; E99-F358 HydrophobicContact CG-CZ 3.94Å; E99-I376 HydrophobicContact CB-CG2 4.19Å; E99-I376 HydrophobicContact CG-CG2 4.08Å
100L97.9Very high97Very high1 Ų111 Ų111%0.0056%0.061CC..Hα-helixtrans-55.5-41174.8-64.3175.5000112.1F96 L97 G98 Q103 L332 L340 F358 A359F96-L100 HydrophobicContact CD2-CG 4.42Å; F96-L100 HydrophobicContact CE1-CD1 4.39Å; F96-L100 HydrophobicContact CE2-CD1 4.34Å; F96-L100 HydrophobicContact CE2-CD2 3.72Å; F96-L100 HydrophobicContact CE2-CG 4Å; F96-L100 HydrophobicContact CZ-CD1 4.1Å; F96-L100 HydrophobicContact CZ-CD2 4.03Å; F96-L100 HydrophobicContact CZ-CG 4.26Å; F96-L100 PolarHBondContact O-N 3.48Å; L97-L100 WeakPolarHBondContact O-CB 3.18Å; L97-L100 PolarHBondContact O-N 3.12Å; G98-L100 VanDerWaalsContact C-N 3.33Å; G98-L100 PolarHBondContact O-N 3.22Å; L100-Q103 PolarHBondContact O-N 3.27Å; L100-L332 HydrophobicContact CD1-CD1 3.89Å; L100-L340 HydrophobicContact CB-CD1 4.23Å; L100-L340 HydrophobicContact CD1-CD1 4.23Å; L100-L340 HydrophobicContact CD2-CD1 4.39Å; L100-F358 HydrophobicContact CD2-CD1 4.16Å; L100-F358 HydrophobicContact CD2-CE1 4.25Å; L100-A359 HydrophobicContact CD2-CB 3.69Å
101F98.1Very high97.1Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-71.4-41174.6-79-76.7000112.8I84 L86 L97 G98 E99 Q103 H104 V107 V215 I241 F344 L349I84-F101 HydrophobicContact CD1-CE1 4Å; L86-F101 HydrophobicContact CD1-CD2 3.98Å; L86-F101 HydrophobicContact CD1-CE2 4.45Å; L86-F101 HydrophobicContact CD2-CD2 4.03Å; L86-F101 HydrophobicContact CD2-CE2 3.7Å; L86-F101 HydrophobicContact CD2-CZ 4.46Å; L97-F101 HydrophobicContact CD1-CE2 4.17Å; L97-F101 WeakPolarHBondContact O-CD2 3.42Å; G98-F101 PolarHBondContact O-N 3.49Å; E99-F101 PolarHBondContact O-N 3.35Å; F101-Q103 PolarHBondContact O-N 3.38Å; F101-Q103 VanDerWaalsContact O-N 3.12Å; F101-H104 PolarHBondContact O-N 3.09Å; F101-V107 HydrophobicContact CB-CG1 4.29Å; F101-V107 HydrophobicContact CD1-CG2 4.44Å; F101-V107 WeakPolarHBondContact O-CB 3.33Å; F101-V107 WeakPolarHBondContact O-CG1 3.23Å; F101-V215 HydrophobicContact CB-CB 4.39Å; F101-V215 HydrophobicContact CB-CG1 4.09Å; F101-V215 HydrophobicContact CB-CG2 4.09Å; F101-V215 HydrophobicContact CD1-CG2 3.7Å; F101-V215 HydrophobicContact CD2-CG1 4.36Å; F101-V215 HydrophobicContact CE1-CG2 4.34Å; F101-V215 HydrophobicContact CG-CG1 4.11Å; F101-V215 HydrophobicContact CG-CG2 3.98Å; F101-I241 HydrophobicContact CE2-CD1 3.92Å; F101-I241 HydrophobicContact CZ-CD1 3.58Å; F101-F344 HydrophobicContact CD1-CE1 4.15Å; F101-F344 HydrophobicContact CD1-CZ 4.33Å; F101-F344 HydrophobicContact CE1-CD1 4.41Å; F101-F344 HydrophobicContact CE1-CE1 4.02Å; F101-F344 HydrophobicContact CZ-CE1 4.28Å; F101-L349 HydrophobicContact CD1-CD1 4.03Å; F101-L349 HydrophobicContact CE1-CD1 3.93Å
102N97.3Very high97.2Very high5 Ų511.2 Ų11.23%0.0276%0.063CC..Hα-helixtrans-55.7-29.2175.8-167.540.3000111.4G98 E99 H104 Y109 M167 K169G98-N102 PolarHBondContact O-N 3.26Å; E99-N102 WeakPolarHBondContact O-CB 3.15Å; E99-N102 PolarHBondContact O-N 3.05Å; E99-N102 VanDerWaalsContact O-N 3.09Å; E99-N102 PolarHBondContact OE1-ND2 3.05Å; N102-H104 PolarHBondContact O-N 3.12Å; N102-Y109 HydrophobicContact CB-CD1 3.62Å; N102-Y109 HydrophobicContact CB-CE1 4.1Å; N102-Y109 HydrophobicContact CB-CG 3.92Å; N102-Y109 WeakPolarHBondContact OD1-CD1 3.28Å; N102-M167 PolarHBondContact ND2-O 3.44Å; N102-M167 VanDerWaalsContact ND2-O 3.12Å; N102-K169 WeakPolarHBondContact O-CD 3.27Å
103Q96.6Very high97.2Very high0 Ų011.6 Ų11.60%07%0.066CC..THydrogen-bonded Turntrans-72.3-20.5178.8-65.9-52-49.500115.2E99 L100 F101 K169 I185 G186 L355 F358E99-Q103 WeakPolarHBondContact O-CG 3.29Å; E99-Q103 PolarHBondContact O-N 3.46Å; E99-Q103 PolarHBondContact OE1-NE2 3.05Å; L100-Q103 PolarHBondContact O-N 3.27Å; F101-Q103 PolarHBondContact O-N 3.38Å; F101-Q103 VanDerWaalsContact O-N 3.12Å; Q103-K169 PolarHBondContact O-NZ 3.01Å; Q103-I185 HydrophobicContact CB-CD1 4.29Å; Q103-I185 HydrophobicContact CB-CG2 4.48Å; Q103-I185 HydrophobicContact CG-CG2 4.47Å; Q103-I185 WeakPolarHBondContact O-CD1 3.26Å; Q103-G186 PolarHBondContact NE2-O 3.34Å; Q103-G186 PolarHBondContact OE1-O 2.92Å; Q103-G186 VanDerWaalsContact OE1-O 3.06Å; Q103-L355 HydrophobicContact CB-CD1 3.45Å; Q103-L355 VanDerWaalsContact CB-CD1 3.45Å; Q103-L355 HydrophobicContact CG-CD1 4.23Å; Q103-F358 HydrophobicContact CG-CD1 3.74Å; Q103-F358 HydrophobicContact CG-CD2 4.49Å; Q103-F358 HydrophobicContact CG-CE1 3.43Å; Q103-F358 VanDerWaalsContact CG-CE1 3.43Å; Q103-F358 HydrophobicContact CG-CE2 4.22Å; Q103-F358 HydrophobicContact CG-CG 4.27Å; Q103-F358 HydrophobicContact CG-CZ 3.69Å
104H96.9Very high97.3Very high8 Ų810.9 Ų10.94%0.0376%0.058CC..SBendtrans-82.3131.3-173.4-168.3-80.7000112F101 N102 D106 V107 F344 S350 F352F101-H104 PolarHBondContact O-N 3.09Å; N102-H104 PolarHBondContact O-N 3.12Å; H104-D106 IonicContact CE1-OD2 3.63Å; H104-D106 PolarHBondContact CE1-OD2 3.02Å; H104-D106 PolarHBondContact ND1-N 2.85Å; H104-D106 VanDerWaalsContact ND1-N 3.17Å; H104-D106 PolarHBondContact O-N 3.35Å; H104-V107 HydrophobicContact CB-CB 4.22Å; H104-V107 HydrophobicContact CB-CG2 3.78Å; H104-V107 PolarHBondContact O-N 2.95Å; H104-V107 VanDerWaalsContact O-N 3.12Å; H104-F344 HydrophobicContact CB-CE2 4.06Å; H104-F344 HydrophobicContact CB-CZ 4.45Å; H104-F344 AromaticContact CD2-CE2 3.56Å; H104-S350 PolarHBondContact CD2-O 3.47Å; H104-S350 PolarHBondContact NE2-O 2.98Å; H104-F352 AromaticContact CD2-CE1 3.72Å; H104-F352 AromaticContact NE2-CE1 3.96Å
105P95.4Very high97.2Very high22 Ų2214.6 Ų14.614%0.1437%0.072CC..THydrogen-bonded Turntrans-65.1-23.4-173.225.4-35.4000114.4R182 Y211P105-R182 PolarHBondContact O-NE 2.87Å; P105-R182 PolarHBondContact O-NH2 2.77Å; P105-Y211 VanDerWaalsContact O-CE1 3.3Å; P105-Y211 WeakPolarHBondContact O-CE1 3.36Å
106D96.1Very high97.2Very high69 Ų6913.7 Ų13.737%0.3696%0.064SC..THydrogen-bonded Turntrans-93.95.6179.1-58.8-37.7000114.2H104 P212 V213H104-D106 IonicContact CE1-OD2 3.63Å; H104-D106 PolarHBondContact CE1-OD2 3.02Å; H104-D106 PolarHBondContact ND1-N 2.85Å; H104-D106 VanDerWaalsContact ND1-N 3.17Å; H104-D106 PolarHBondContact O-N 3.35Å; D106-P212 HydrophobicContact CB-CG 3.78Å; D106-P212 WeakPolarHBondContact O-CD 3.44Å; D106-V213 PolarHBondContact O-N 2.94Å
107V97.8Very high97.2Very high5 Ų512.7 Ų12.73%0.036%0.06CC..EExtended strand (participates in β ladder)trans-104.7126.5-179.2172.40000111.3F101 H104 V213 V215 L349F101-V107 HydrophobicContact CB-CG1 4.29Å; F101-V107 HydrophobicContact CD1-CG2 4.44Å; F101-V107 WeakPolarHBondContact O-CB 3.33Å; F101-V107 WeakPolarHBondContact O-CG1 3.23Å; H104-V107 HydrophobicContact CB-CB 4.22Å; H104-V107 HydrophobicContact CB-CG2 3.78Å; H104-V107 PolarHBondContact O-N 2.95Å; H104-V107 VanDerWaalsContact O-N 3.12Å; V107-V213 HydrophobicContact CG2-CB 4.11Å; V107-V213 HydrophobicContact CG2-CG1 4.12Å; V107-V215 HydrophobicContact CG1-CB 3.98Å; V107-V215 HydrophobicContact CG1-CG2 3.52Å; V107-V215 HydrophobicContact CG2-CG2 4.5Å; V107-L349 HydrophobicContact CG2-CD1 3.65Å; V107-L349 HydrophobicContact CG2-CD2 4.27Å
108F98.2Very high97Very high0 Ų012.7 Ų12.70%06%0.06CC..EExtended strand (participates in β ladder)trans-91.6110.9161.6-171.7-81000109.3L110 F145 V170 L204 C208 Y211 V213 M214 V215F108-L110 HydrophobicContact CD1-CG 4.31Å; F108-L110 HydrophobicContact CE1-CD1 4.28Å; F108-L110 HydrophobicContact CE1-CD2 3.66Å; F108-L110 HydrophobicContact CE1-CG 3.78Å; F108-L110 HydrophobicContact CZ-CD2 4.32Å; F108-F145 HydrophobicContact CE1-CE2 4.49Å; F108-F145 AromaticContact CE1-CZ 3.7Å; F108-F145 HydrophobicContact CE1-CZ 3.7Å; F108-F145 HydrophobicContact CZ-CE2 4.4Å; F108-F145 AromaticContact CZ-CZ 3.73Å; F108-F145 HydrophobicContact CZ-CZ 3.73Å; F108-V170 HydrophobicContact CD2-CB 4.26Å; F108-V170 HydrophobicContact CD2-CG1 3.97Å; F108-V170 HydrophobicContact CD2-CG2 3.91Å; F108-V170 HydrophobicContact CE2-CB 4.21Å; F108-V170 HydrophobicContact CE2-CG1 3.8Å; F108-V170 HydrophobicContact CE2-CG2 4.35Å; F108-L204 HydrophobicContact CE2-CD1 3.69Å; F108-L204 HydrophobicContact CE2-CG 4.33Å; F108-L204 HydrophobicContact CZ-CD1 3.69Å; F108-L204 HydrophobicContact CZ-CD2 4.44Å; F108-L204 HydrophobicContact CZ-CG 3.97Å; F108-C208 HydrophobicContact CD1-CB 4.46Å; F108-C208 HydrophobicContact CD2-CB 3.9Å; F108-C208 HydrophobicContact CE1-CB 4.22Å; F108-C208 HydrophobicContact CE2-CB 3.59Å; F108-C208 HydrophobicContact CG-CB 4.3Å; F108-C208 HydrophobicContact CZ-CB 3.77Å; F108-Y211 HydrophobicContact CB-CD1 4.17Å; F108-Y211 HydrophobicContact CB-CD2 4.04Å; F108-Y211 HydrophobicContact CB-CG 3.72Å; F108-Y211 AromaticContact CD2-CD2 3.93Å; F108-Y211 HydrophobicContact CD2-CD2 3.93Å; F108-Y211 HydrophobicContact CD2-CE2 4.14Å; F108-Y211 HydrophobicContact CD2-CG 4.47Å; F108-Y211 HydrophobicContact CG-CD2 4.48Å; F108-V213 PolarHBondContact N-O 2.85Å; F108-M214 HydrophobicContact CD1-CE 3.79Å; F108-M214 HydrophobicContact CD1-CG 4.33Å; F108-M214 HydrophobicContact CE1-CE 3.88Å; F108-M214 WeakPolarHBondContact O-CA 3.38Å; F108-V215 PolarHBondContact O-N 2.9Å
109Y98.2Very high96.8Very high5 Ų514.8 Ų14.82%0.027%0.07CC..EExtended strand (participates in β ladder)trans-104.4136.2-173.7176.9-110.7000112.5L86 G98 N102 Y111 N168 V215 K217L86-Y109 HydrophobicContact CD1-CE2 4.45Å; G98-Y109 WeakPolarHBondContact CA-OH 3.27Å; G98-Y109 WeakPolarHBondContact O-CE2 3.35Å; N102-Y109 HydrophobicContact CB-CD1 3.62Å; N102-Y109 HydrophobicContact CB-CE1 4.1Å; N102-Y109 HydrophobicContact CB-CG 3.92Å; N102-Y109 WeakPolarHBondContact OD1-CD1 3.28Å; Y109-Y111 AromaticContact CE1-CD2 3.96Å; Y109-Y111 HydrophobicContact CE1-CD2 3.96Å; Y109-Y111 HydrophobicContact CE1-CG 4.48Å; Y109-Y111 AromaticContact CZ-CD2 3.99Å; Y109-Y111 WeakPolarHBondContact OH-CD2 3.26Å; Y109-N168 PolarHBondContact O-ND2 3.2Å; Y109-V215 CarbonylContact C-O 2.96Å; Y109-V215 WeakPolarHBondContact CA-O 3.42Å; Y109-V215 HydrophobicContact CD2-CB 4.03Å; Y109-V215 HydrophobicContact CD2-CG1 3.85Å; Y109-V215 HydrophobicContact CE2-CG1 4.17Å; Y109-K217 HydrophobicContact CE2-CB 3.76Å; Y109-K217 WeakPolarHBondContact OH-CB 3.47Å
110L98.6Very high96.6Very high1 Ų118.1 Ų18.11%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-121.5126.2170.8-67.4-179.6000111.3F108 P113 L140 F145 I162 M214 V215 I216 K217F108-L110 HydrophobicContact CD1-CG 4.31Å; F108-L110 HydrophobicContact CE1-CD1 4.28Å; F108-L110 HydrophobicContact CE1-CD2 3.66Å; F108-L110 HydrophobicContact CE1-CG 3.78Å; F108-L110 HydrophobicContact CZ-CD2 4.32Å; L110-P113 HydrophobicContact CB-CG 4.33Å; L110-L140 HydrophobicContact CD1-CB 4.42Å; L110-L140 HydrophobicContact CD1-CD1 4.24Å; L110-L140 HydrophobicContact CD1-CD2 4.34Å; L110-F145 HydrophobicContact CD1-CE1 4.01Å; L110-F145 HydrophobicContact CD1-CZ 3.96Å; L110-F145 HydrophobicContact CD2-CE1 3.92Å; L110-F145 HydrophobicContact CD2-CZ 4.14Å; L110-I162 HydrophobicContact CD2-CG2 4.15Å; L110-M214 HydrophobicContact CD1-CE 3.55Å; L110-M214 HydrophobicContact CG-CE 4.2Å; L110-V215 PolarHBondContact N-O 2.76Å; L110-I216 HydrophobicContact CB-CG1 4.28Å; L110-I216 HydrophobicContact CD1-CD1 4.35Å; L110-I216 HydrophobicContact CD1-CG1 4.24Å; L110-K217 PolarHBondContact O-N 3.38Å
111Y97.8Very high96.4Very high34 Ų3421.7 Ų21.713%0.13311%0.109CC..EExtended strand (participates in β ladder)trans-91.6106178.9-166.7-82.8000110.2S95 Y109 F163 K217 I376S95-Y111 PolarHBondContact OG-OH 3.34Å; Y109-Y111 AromaticContact CE1-CD2 3.96Å; Y109-Y111 HydrophobicContact CE1-CD2 3.96Å; Y109-Y111 HydrophobicContact CE1-CG 4.48Å; Y109-Y111 AromaticContact CZ-CD2 3.99Å; Y109-Y111 WeakPolarHBondContact OH-CD2 3.26Å; Y111-F163 AromaticContact CD1-CD1 3.71Å; Y111-F163 HydrophobicContact CD1-CD1 3.71Å; Y111-F163 AromaticContact CD1-CE1 3.65Å; Y111-F163 HydrophobicContact CD1-CE1 3.65Å; Y111-F163 HydrophobicContact CE1-CD1 4.24Å; Y111-F163 AromaticContact CE1-CE1 3.7Å; Y111-F163 HydrophobicContact CE1-CE1 3.7Å; Y111-F163 WeakPolarHBondContact O-CD1 3.26Å; Y111-K217 HydrophobicContact CD2-CD 4.5Å; Y111-K217 HydrophobicContact CE2-CD 4.33Å; Y111-K217 PolarHBondContact OH-NZ 3.39Å; Y111-I376 HydrophobicContact CE2-CD1 4Å
112E97.4Very high95.9Very high14 Ų1426.1 Ų26.17%0.06513%0.126CC..  trans47.153.2171.6-56.1-179.4-154.700116.9M114 W115 F163 K217 V219 R220E112-M114 PolarHBondContact O-N 3.13Å; E112-M114 VanDerWaalsContact O-N 3.14Å; E112-W115 VanDerWaalsContact O-CB 3.23Å; E112-W115 WeakPolarHBondContact O-CB 3.46Å; E112-W115 PolarHBondContact O-N 3.39Å; E112-F163 HydrophobicContact CB-CD1 3.85Å; E112-F163 HydrophobicContact CB-CE1 4.02Å; E112-K217 WeakPolarHBondContact CA-O 3.36Å; E112-K217 HydrophobicContact CG-CD 3.52Å; E112-K217 PolarHBondContact N-O 2.86Å; E112-K217 IonicContact OE1-NZ 3.45Å; E112-K217 PolarHBondContact OE1-NZ 3.32Å; E112-V219 HydrophobicContact CG-CG2 4.23Å; E112-V219 WeakPolarHBondContact OE2-CG2 3.45Å; E112-R220 IonicContact OE2-CZ 2.76Å; E112-R220 IonicContact OE2-NH1 3.84Å; E112-R220 PolarHBondContact OE2-NH1 2.79Å; E112-R220 IonicContact OE2-NH2 3.51Å
113P97.4Very high95.4Very high8 Ų828.6 Ų28.65%0.05214%0.143CC..THydrogen-bonded Turntrans-61.4-28.2-176.223-30.9000113.9L110 W115 H116 M136 L140 I216L110-P113 HydrophobicContact CB-CG 4.33Å; P113-W115 PolarHBondContact O-N 2.78Å; P113-H116 PolarHBondContact O-CD2 2.03Å; P113-H116 VanDerWaalsContact O-CD2 3.26Å; P113-H116 PolarHBondContact O-N 3.15Å; P113-M136 HydrophobicContact CB-SD 4.44Å; P113-L140 HydrophobicContact CB-CD1 3.59Å; P113-L140 HydrophobicContact CG-CD1 3.6Å; P113-I216 HydrophobicContact CG-CG2 3.7Å
114M96.5Very high94.9Very high1 Ų129.5 Ų29.51%0.00515%0.153CC..THydrogen-bonded Turntrans-65.5-4.5175.5-63.575.780.500113.8Y85 E112 H116 I117 W118 V133 M136 M137 I216 R220Y85-M114 HydrophobicContact CE2-CE 3.67Å; E112-M114 PolarHBondContact O-N 3.13Å; E112-M114 VanDerWaalsContact O-N 3.14Å; M114-H116 PolarHBondContact O-N 2.86Å; M114-I117 HydrophobicContact CB-CD1 4.46Å; M114-I117 HydrophobicContact CG-CD1 4.34Å; M114-I117 PolarHBondContact O-N 2.82Å; M114-W118 PolarHBondContact O-N 2.87Å; M114-V133 HydrophobicContact CB-CG2 4.27Å; M114-V133 HydrophobicContact CG-CB 4.3Å; M114-V133 HydrophobicContact CG-CG1 3.81Å; M114-V133 HydrophobicContact CG-CG2 4Å; M114-M136 HydrophobicContact CG-SD 4.32Å; M114-M137 HydrophobicContact CE-CG 4.48Å; M114-M137 HydrophobicContact CE-SD 4.16Å; M114-M137 HydrophobicContact SD-CG 4.08Å; M114-I216 HydrophobicContact CE-CG2 4.45Å; M114-I216 HydrophobicContact SD-CG2 4.47Å; M114-R220 HydrophobicContact CB-CB 4.18Å; M114-R220 WeakPolarHBondContact O-CD 3.43Å
115W95.9Very high94.5Very high80 Ų8031.3 Ų31.330%0.30316%0.162SC..Hα-helixtrans-52.6-42.6169.7-177.395.3000111.4E112 P113 I117 W118 Q119 F163 R220E112-W115 VanDerWaalsContact O-CB 3.23Å; E112-W115 WeakPolarHBondContact O-CB 3.46Å; E112-W115 PolarHBondContact O-N 3.39Å; P113-W115 PolarHBondContact O-N 2.78Å; W115-I117 VanDerWaalsContact C-N 3.33Å; W115-I117 PolarHBondContact O-N 3.44Å; W115-W118 PolarHBondContact O-N 3.04Å; W115-Q119 HydrophobicContact CD2-CG 3.51Å; W115-Q119 HydrophobicContact CE3-CG 3.8Å; W115-Q119 HydrophobicContact CG-CG 4.19Å; W115-Q119 HydrophobicContact CH2-CB 4.47Å; W115-Q119 HydrophobicContact CH2-CG 3.71Å; W115-Q119 HydrophobicContact CZ2-CG 3.42Å; W115-Q119 VanDerWaalsContact CZ2-CG 3.42Å; W115-Q119 HydrophobicContact CZ3-CB 4.44Å; W115-Q119 HydrophobicContact CZ3-CG 3.88Å; W115-Q119 WeakPolarHBondContact O-CG 3.42Å; W115-Q119 PolarHBondContact O-N 3.02Å; W115-F163 HydrophobicContact CB-CB 4.49Å; W115-F163 HydrophobicContact CB-CD1 4.12Å; W115-F163 HydrophobicContact CB-CD2 4.32Å; W115-F163 HydrophobicContact CB-CE1 4.43Å; W115-F163 HydrophobicContact CB-CG 4.06Å; W115-F163 AromaticContact CD1-CE2 3.84Å; W115-F163 AromaticContact CD1-CZ 3.8Å; W115-F163 AromaticContact CD2-CD2 3.77Å; W115-F163 HydrophobicContact CD2-CD2 3.77Å; W115-F163 AromaticContact CD2-CE2 3.87Å; W115-F163 HydrophobicContact CD2-CE2 3.87Å; W115-F163 HydrophobicContact CD2-CG 4.38Å; W115-F163 AromaticContact CE2-CE2 3.81Å; W115-F163 AromaticContact CE3-CD2 3.99Å; W115-F163 HydrophobicContact CE3-CD2 3.99Å; W115-F163 HydrophobicContact CE3-CE2 4.48Å; W115-F163 HydrophobicContact CG-CD1 4.36Å; W115-F163 AromaticContact CG-CD2 3.92Å; W115-F163 HydrophobicContact CG-CD2 3.92Å; W115-F163 HydrophobicContact CG-CE1 4.36Å; W115-F163 AromaticContact CG-CE2 3.93Å; W115-F163 HydrophobicContact CG-CE2 3.93Å; W115-F163 HydrophobicContact CG-CG 4.16Å; W115-F163 HydrophobicContact CG-CZ 4.17Å; W115-F163 HydrophobicContact CZ2-CE2 4.36Å; W115-F163 AromaticContact NE1-CE2 3.84Å; W115-R220 VanDerWaalsContact CD1-NH2 3.3Å
116H96Very high94.2Very high9 Ų930.2 Ų30.24%0.04216%0.156CC..Hα-helixtrans-58.8-43.4-179.7-62.8-68.6000112.4P113 M114 W118 Q119 T120 F161P113-H116 PolarHBondContact O-CD2 2.03Å; P113-H116 VanDerWaalsContact O-CD2 3.26Å; P113-H116 PolarHBondContact O-N 3.15Å; M114-H116 PolarHBondContact O-N 2.86Å; H116-W118 PolarHBondContact O-N 3.03Å; H116-Q119 PolarHBondContact O-N 3.39Å; H116-T120 VanDerWaalsContact O-CB 3.3Å; H116-T120 WeakPolarHBondContact O-CB 3.46Å; H116-T120 PolarHBondContact O-N 2.84Å; H116-T120 PolarHBondContact O-OG1 3.4Å; H116-F161 AromaticContact CE1-CD1 3.79Å; H116-F161 AromaticContact CE1-CE1 3.55Å; H116-F161 AromaticContact CE1-CZ 3.71Å; H116-F161 PolarHBondContact CE1-O 3.23Å; H116-F161 AromaticContact CG-CE1 3.82Å; H116-F161 AromaticContact ND1-CE1 3.48Å; H116-F161 WeakPolarHBondContact ND1-CE1 3.32Å; H116-F161 AromaticContact ND1-CE2 3.99Å; H116-F161 AromaticContact ND1-CZ 3.37Å; H116-F161 WeakPolarHBondContact ND1-CZ 3.37Å; H116-F161 AromaticContact NE2-CE1 3.94Å; H116-F161 PolarHBondContact NE2-O 3.14Å
117I95.8Very high93.8Very high0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-58.2-51.5176.9-54.7-179.1000110.1M114 W115 Q119 T120 L121 L129 A132 V133 M136 Y151M114-I117 HydrophobicContact CB-CD1 4.46Å; M114-I117 HydrophobicContact CG-CD1 4.34Å; M114-I117 PolarHBondContact O-N 2.82Å; W115-I117 VanDerWaalsContact C-N 3.33Å; W115-I117 PolarHBondContact O-N 3.44Å; I117-Q119 VanDerWaalsContact C-N 3.3Å; I117-Q119 PolarHBondContact O-N 3.33Å; I117-T120 PolarHBondContact O-N 3.13Å; I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 VanDerWaalsContact O-CB 3.32Å; I117-L121 WeakPolarHBondContact O-CB 2.91Å; I117-L121 PolarHBondContact O-N 3.28Å; I117-L129 HydrophobicContact CG2-CD2 4.26Å; I117-A132 HydrophobicContact CD1-CB 4.33Å; I117-A132 HydrophobicContact CG2-CB 4.17Å; I117-V133 HydrophobicContact CD1-CB 4.46Å; I117-V133 HydrophobicContact CD1-CG2 3.9Å; I117-M136 HydrophobicContact CD1-CB 3.97Å; I117-M136 HydrophobicContact CD1-CE 3.69Å; I117-M136 HydrophobicContact CD1-CG 4.49Å; I117-M136 HydrophobicContact CD1-SD 3.78Å; I117-M136 HydrophobicContact CG1-CE 3.49Å; I117-M136 VanDerWaalsContact CG1-CE 3.49Å; I117-M136 HydrophobicContact CG1-SD 4.02Å; I117-Y151 HydrophobicContact CB-CD1 4.44Å; I117-Y151 HydrophobicContact CB-CE1 4.24Å; I117-Y151 HydrophobicContact CD1-CE2 4.36Å; I117-Y151 HydrophobicContact CG1-CD1 4.16Å; I117-Y151 HydrophobicContact CG1-CD2 4.16Å; I117-Y151 HydrophobicContact CG1-CE1 3.84Å; I117-Y151 HydrophobicContact CG1-CE2 3.85Å; I117-Y151 HydrophobicContact CG1-CG 4.3Å; I117-Y151 HydrophobicContact CG2-CE1 4.14Å
118W94.3Very high93.5Very high0 Ų032.2 Ų32.20%018%0.181CC..Hα-helixtrans-69.5-25-175.8-83.460000114W90 M114 W115 H116 A126 L129 R220 E264 Q267 V268W90-W118 HydrophobicContact CH2-CE3 4.33Å; W90-W118 AromaticContact CH2-CH2 3.72Å; W90-W118 HydrophobicContact CH2-CH2 3.72Å; W90-W118 HydrophobicContact CH2-CZ2 4.32Å; W90-W118 AromaticContact CH2-CZ3 3.74Å; W90-W118 HydrophobicContact CH2-CZ3 3.74Å; W90-W118 HydrophobicContact CZ2-CE3 4.48Å; W90-W118 HydrophobicContact CZ2-CZ3 4.28Å; M114-W118 PolarHBondContact O-N 2.87Å; W115-W118 PolarHBondContact O-N 3.04Å; H116-W118 PolarHBondContact O-N 3.03Å; W118-A126 HydrophobicContact CH2-CB 3.26Å; W118-A126 HydrophobicContact CZ2-CB 3.49Å; W118-A126 VanDerWaalsContact CZ2-CB 3.49Å; W118-A126 HydrophobicContact CZ3-CB 4.24Å; W118-L129 HydrophobicContact CD2-CD1 4.15Å; W118-L129 HydrophobicContact CG-CD1 4.03Å; W118-R220 VanDerWaalsContact CD1-CD 3.49Å; W118-R220 HydrophobicContact CD2-CB 4.35Å; W118-R220 HydrophobicContact CD2-CG 3.8Å; W118-R220 HydrophobicContact CE3-CG 4.42Å; W118-R220 HydrophobicContact CG-CB 4.44Å; W118-R220 VanDerWaalsContact CG-CD 3.43Å; W118-R220 HydrophobicContact CG-CG 3.92Å; W118-R220 HydrophobicContact CZ2-CB 4.11Å; W118-R220 HydrophobicContact CZ2-CG 4.15Å; W118-E264 HydrophobicContact CE3-CG 4.26Å; W118-E264 HydrophobicContact CZ3-CB 4.35Å; W118-E264 HydrophobicContact CZ3-CG 4.49Å; W118-Q267 HydrophobicContact CE3-CB 4.04Å; W118-Q267 HydrophobicContact CE3-CG 4.47Å; W118-Q267 HydrophobicContact CH2-CB 4.42Å; W118-Q267 HydrophobicContact CZ3-CB 3.64Å; W118-Q267 PolarHBondContact O-NE2 2.83Å; W118-Q267 VanDerWaalsContact O-NE2 3.11Å; W118-V268 HydrophobicContact CH2-CG2 4Å; W118-V268 HydrophobicContact CZ3-CG2 4.3Å
119Q93.4Very high93.2Very high44 Ų4432.6 Ų32.621%0.20618%0.183CC..Hα-helixtrans-81.2-46.9174.3-65.3-47.3-42.900111.9W115 H116 I117 E264W115-Q119 HydrophobicContact CD2-CG 3.51Å; W115-Q119 HydrophobicContact CE3-CG 3.8Å; W115-Q119 HydrophobicContact CG-CG 4.19Å; W115-Q119 HydrophobicContact CH2-CB 4.47Å; W115-Q119 HydrophobicContact CH2-CG 3.71Å; W115-Q119 HydrophobicContact CZ2-CG 3.42Å; W115-Q119 VanDerWaalsContact CZ2-CG 3.42Å; W115-Q119 HydrophobicContact CZ3-CB 4.44Å; W115-Q119 HydrophobicContact CZ3-CG 3.88Å; W115-Q119 WeakPolarHBondContact O-CG 3.42Å; W115-Q119 PolarHBondContact O-N 3.02Å; H116-Q119 PolarHBondContact O-N 3.39Å; I117-Q119 VanDerWaalsContact C-N 3.3Å; I117-Q119 PolarHBondContact O-N 3.33Å; Q119-E264 PolarHBondContact NE2-OE1 3.37Å
120T93.9Very high92.9Very high75 Ų7533.3 Ų33.346%0.4619%0.186SC..Hα-helixtrans-71.3-37-175.2-59.30000111.9H116 I117 Y151H116-T120 VanDerWaalsContact O-CB 3.3Å; H116-T120 WeakPolarHBondContact O-CB 3.46Å; H116-T120 PolarHBondContact O-N 2.84Å; H116-T120 PolarHBondContact O-OG1 3.4Å; I117-T120 PolarHBondContact O-N 3.13Å; T120-Y151 PolarHBondContact OG1-O 3.11Å
121L92.4Very high92.7Very high76 Ų7634.5 Ų34.540%0.39820%0.199SC..THydrogen-bonded Turntrans-96.113.2-177.3-57.8-177.3000113.9I117 G124 L129 Y151I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 VanDerWaalsContact O-CB 3.32Å; I117-L121 WeakPolarHBondContact O-CB 2.91Å; I117-L121 PolarHBondContact O-N 3.28Å; L121-G124 WeakPolarHBondContact O-CA 3.38Å; L121-G124 PolarHBondContact O-N 3.31Å; L121-L129 HydrophobicContact CB-CD2 3.8Å; L121-L129 HydrophobicContact CD1-CD2 3.64Å; L121-L129 HydrophobicContact CG-CD2 4.38Å; L121-Y151 HydrophobicContact CD1-CE1 4.09Å; L121-Y151 HydrophobicContact CG-CE1 4.47Å
122Y88.8Confident92.6Very high92 Ų9234 Ų3436%0.36120%0.202SC..THydrogen-bonded Turntrans-63.9139.5173.8179.6-94.2000111.3K263 Q267Y122-K263 HydrophobicContact CD2-CD 3.99Å; Y122-K263 HydrophobicContact CD2-CG 3.47Å; Y122-K263 VanDerWaalsContact CD2-CG 3.47Å; Y122-K263 HydrophobicContact CE2-CB 4.46Å; Y122-K263 HydrophobicContact CE2-CD 4.24Å; Y122-K263 HydrophobicContact CE2-CG 3.33Å; Y122-K263 HydrophobicContact CG-CD 4.26Å; Y122-K263 HydrophobicContact CG-CG 4.2Å; Y122-Q267 HydrophobicContact CD2-CG 3.66Å; Y122-Q267 HydrophobicContact CE2-CG 3.94Å
123P85.6Confident92.5Very high57 Ų5733.3 Ų33.337%0.3720%0.199SC..THydrogen-bonded Turncis-97.546.54.939.6-36.4000113.8R270P123-R270 PolarHBondContact O-NE 3.18Å; P123-R270 PolarHBondContact O-NH2 3.34Å
124G86.4Confident92.4Very high20 Ų2037.2 Ų37.221%0.20621%0.212CC..  trans-51.7146.816900000111.5L121 Q267L121-G124 WeakPolarHBondContact O-CA 3.38Å; L121-G124 PolarHBondContact O-N 3.31Å; G124-Q267 WeakPolarHBondContact O-CB 3.48Å; G124-Q267 WeakPolarHBondContact O-CG 3.4Å; G124-Q267 PolarHBondContact O-OE1 2.75Å
125D88.9Confident92.4Very high45 Ų4540.9 Ų40.924%0.24123%0.232CC..  trans-81.3148.2175.179.293.8000110.1G127 S128 L129 R270 S271D125-G127 PolarHBondContact O-N 3.26Å; D125-G127 WeakPolarHBondContact OD1-CA 3.43Å; D125-G127 PolarHBondContact OD1-N 3.04Å; D125-G127 VanDerWaalsContact OD1-N 3.11Å; D125-S128 PolarHBondContact O-N 3.02Å; D125-S128 PolarHBondContact O-OG 3.4Å; D125-S128 PolarHBondContact OD1-N 2.98Å; D125-S128 VanDerWaalsContact OD1-N 3.08Å; D125-S128 WeakPolarHBondContact OD2-CB 3.31Å; D125-S128 PolarHBondContact OD2-OG 3.44Å; D125-L129 WeakPolarHBondContact O-CG 3.45Å; D125-L129 PolarHBondContact O-N 3.36Å; D125-R270 HydrophobicContact CB-CB 3.59Å; D125-S271 WeakPolarHBondContact CB-OG 3.48Å; D125-S271 PolarHBondContact OD1-OG 2.87Å
126A89.1Confident92.5Very high0 Ų037 Ų370%022%0.218CC..THydrogen-bonded Turntrans-57.5-33.3-174.800000114.5W118 Q130 L222 Q267 S271W118-A126 HydrophobicContact CH2-CB 3.26Å; W118-A126 HydrophobicContact CZ2-CB 3.49Å; W118-A126 VanDerWaalsContact CZ2-CB 3.49Å; W118-A126 HydrophobicContact CZ3-CB 4.24Å; A126-Q130 PolarHBondContact O-NE2 3.38Å; A126-L222 HydrophobicContact CB-CD1 3.26Å; A126-L222 HydrophobicContact CB-CG 3.98Å; A126-Q267 PolarHBondContact N-O 2.83Å; A126-Q267 VanDerWaalsContact N-O 3.1Å; A126-S271 PolarHBondContact N-OG 3.24Å
127G88.4Confident92.6Very high38 Ų3836.6 Ų36.639%0.39222%0.216SC..THydrogen-bonded Turntrans-67.9-46.5178.500000112.6D125 L129 Q130 S271D125-G127 PolarHBondContact O-N 3.26Å; D125-G127 WeakPolarHBondContact OD1-CA 3.43Å; D125-G127 PolarHBondContact OD1-N 3.04Å; D125-G127 VanDerWaalsContact OD1-N 3.11Å; G127-L129 PolarHBondContact O-N 3.35Å; G127-Q130 WeakPolarHBondContact O-CB 3.41Å; G127-Q130 WeakPolarHBondContact O-CG 3.38Å; G127-Q130 PolarHBondContact O-N 2.98Å; G127-S271 PolarHBondContact N-OG 3.26Å
128S90.7Very high92.6Very high77 Ų7739 Ų3954%0.53823%0.229SC..THydrogen-bonded Turntrans-65.8-23.3176.9600000113.5D125 Q130D125-S128 PolarHBondContact O-N 3.02Å; D125-S128 PolarHBondContact O-OG 3.4Å; D125-S128 PolarHBondContact OD1-N 2.98Å; D125-S128 VanDerWaalsContact OD1-N 3.08Å; D125-S128 WeakPolarHBondContact OD2-CB 3.31Å; D125-S128 PolarHBondContact OD2-OG 3.44Å; S128-Q130 VanDerWaalsContact C-N 3.32Å; S128-Q130 PolarHBondContact O-N 3.28Å
129L92.9Very high92.8Very high9 Ų940.2 Ų40.25%0.04724%0.237CC..THydrogen-bonded Turntrans-77.1-11.8177.4-61.3-178.2000114.3I117 W118 L121 D125 G127 G131 A132 V133I117-L129 HydrophobicContact CG2-CD2 4.26Å; W118-L129 HydrophobicContact CD2-CD1 4.15Å; W118-L129 HydrophobicContact CG-CD1 4.03Å; L121-L129 HydrophobicContact CB-CD2 3.8Å; L121-L129 HydrophobicContact CD1-CD2 3.64Å; L121-L129 HydrophobicContact CG-CD2 4.38Å; D125-L129 WeakPolarHBondContact O-CG 3.45Å; D125-L129 PolarHBondContact O-N 3.36Å; G127-L129 PolarHBondContact O-N 3.35Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 2.83Å; L129-A132 PolarHBondContact O-N 3.06Å; L129-V133 WeakPolarHBondContact O-CG2 3.07Å; L129-V133 PolarHBondContact O-N 2.78Å
130Q91.5Very high93.1Very high19 Ų1938.1 Ų38.19%0.08923%0.227CC..Hα-helixtrans-62.2-33.8-172.2-65.6-53.4-55.600113.3A126 G127 S128 V133 R134 R220 T226A126-Q130 PolarHBondContact O-NE2 3.38Å; G127-Q130 WeakPolarHBondContact O-CB 3.41Å; G127-Q130 WeakPolarHBondContact O-CG 3.38Å; G127-Q130 PolarHBondContact O-N 2.98Å; S128-Q130 VanDerWaalsContact C-N 3.32Å; S128-Q130 PolarHBondContact O-N 3.28Å; Q130-V133 PolarHBondContact O-N 2.91Å; Q130-R134 PolarHBondContact O-N 3.38Å; Q130-R220 PolarHBondContact NE2-O 2.87Å; Q130-T226 HydrophobicContact CB-CG2 3.91Å; Q130-T226 WeakPolarHBondContact O-CG2 3.5Å; Q130-T226 PolarHBondContact OE1-OG1 3.45Å
131G93.1Very high93.3Very high26 Ų2634.7 Ų34.727%0.26821%0.205SC..Hα-helixtrans-61.7-50.617500000112.6L129 V133 R134 D135L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 2.83Å; G131-V133 VanDerWaalsContact C-N 3.29Å; G131-V133 PolarHBondContact O-N 2.99Å; G131-R134 WeakPolarHBondContact O-CB 3.27Å; G131-R134 PolarHBondContact O-N 3.07Å; G131-D135 VanDerWaalsContact O-CG 3.25Å; G131-D135 PolarHBondContact O-N 3.2Å
132A95.4Very high93.5Very high24 Ų2436.6 Ų36.620%0.19821%0.207CC..Hα-helixtrans-61.1-37.9176.200000112.4I117 L129 D135 M136I117-A132 HydrophobicContact CD1-CB 4.33Å; I117-A132 HydrophobicContact CG2-CB 4.17Å; L129-A132 PolarHBondContact O-N 3.06Å; A132-D135 PolarHBondContact O-N 3.11Å; A132-M136 WeakPolarHBondContact O-CB 3.05Å; A132-M136 PolarHBondContact O-N 3.41Å
133V95.6Very high93.9Very high0 Ų032.3 Ų32.30%019%0.191CC..Hα-helixtrans-62.1-48.1175.5164.20000111.1M114 I117 L129 Q130 G131 D135 M136 M137 V221M114-V133 HydrophobicContact CB-CG2 4.27Å; M114-V133 HydrophobicContact CG-CB 4.3Å; M114-V133 HydrophobicContact CG-CG1 3.81Å; M114-V133 HydrophobicContact CG-CG2 4Å; I117-V133 HydrophobicContact CD1-CB 4.46Å; I117-V133 HydrophobicContact CD1-CG2 3.9Å; L129-V133 WeakPolarHBondContact O-CG2 3.07Å; L129-V133 PolarHBondContact O-N 2.78Å; Q130-V133 PolarHBondContact O-N 2.91Å; G131-V133 VanDerWaalsContact C-N 3.29Å; G131-V133 PolarHBondContact O-N 2.99Å; V133-D135 PolarHBondContact O-N 2.92Å; V133-M136 PolarHBondContact O-N 3.4Å; V133-M137 HydrophobicContact CG1-CE 3.45Å; V133-M137 VanDerWaalsContact CG1-CE 3.45Å; V133-M137 HydrophobicContact CG1-SD 4.32Å; V133-M137 WeakPolarHBondContact O-CE 3.35Å; V133-M137 WeakPolarHBondContact O-CG 3.37Å; V133-M137 PolarHBondContact O-N 2.92Å; V133-V221 HydrophobicContact CG1-CG2 3.47Å; V133-V221 VanDerWaalsContact CG1-CG2 3.47Å
134R96.1Very high94.5Very high89 Ų8932.5 Ų32.534%0.33619%0.189SC..Hα-helixtrans-58-46.7176.3-179.9-16263.1-137.6-6.6111.6Q130 G131 M137 N138 T226 L230Q130-R134 PolarHBondContact O-N 3.38Å; G131-R134 WeakPolarHBondContact O-CB 3.27Å; G131-R134 PolarHBondContact O-N 3.07Å; R134-M137 PolarHBondContact O-N 3.29Å; R134-N138 PolarHBondContact O-N 3.06Å; R134-T226 HydrophobicContact CB-CG2 4.02Å; R134-L230 HydrophobicContact CG-CD1 4.49Å; R134-L230 HydrophobicContact CG-CD2 4.29Å; R134-L230 HydrophobicContact CG-CG 4.23Å
135D96.7Very high95.1Very high78 Ų7831.6 Ų31.642%0.41718%0.179SC..Hα-helixtrans-67.2-39.5-176.9-60.6-12.7000111.3G131 A132 V133 N138 S139G131-D135 VanDerWaalsContact O-CG 3.25Å; G131-D135 PolarHBondContact O-N 3.2Å; A132-D135 PolarHBondContact O-N 3.11Å; V133-D135 PolarHBondContact O-N 2.92Å; D135-N138 PolarHBondContact O-N 2.89Å; D135-S139 PolarHBondContact O-N 2.76Å; D135-S139 VanDerWaalsContact O-N 3.14Å
136M97.5Very high95.4Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-60.9-44.6171177.6175.4-71.300112.1P113 M114 I117 A132 V133 S139 L140 V147 L148 Y151P113-M136 HydrophobicContact CB-SD 4.44Å; M114-M136 HydrophobicContact CG-SD 4.32Å; I117-M136 HydrophobicContact CD1-CB 3.97Å; I117-M136 HydrophobicContact CD1-CE 3.69Å; I117-M136 HydrophobicContact CD1-CG 4.49Å; I117-M136 HydrophobicContact CD1-SD 3.78Å; I117-M136 HydrophobicContact CG1-CE 3.49Å; I117-M136 VanDerWaalsContact CG1-CE 3.49Å; I117-M136 HydrophobicContact CG1-SD 4.02Å; A132-M136 WeakPolarHBondContact O-CB 3.05Å; A132-M136 PolarHBondContact O-N 3.41Å; V133-M136 PolarHBondContact O-N 3.4Å; M136-S139 PolarHBondContact O-N 3.01Å; M136-L140 HydrophobicContact CG-CD1 3.67Å; M136-L140 HydrophobicContact CG-CG 4.13Å; M136-L140 WeakPolarHBondContact O-CB 3.27Å; M136-L140 VanDerWaalsContact O-CG 3.26Å; M136-L140 WeakPolarHBondContact O-CG 3.42Å; M136-L140 PolarHBondContact O-N 2.89Å; M136-L140 HydrophobicContact SD-CD1 4.26Å; M136-V147 HydrophobicContact CB-CG2 4.43Å; M136-V147 HydrophobicContact CG-CG1 4.16Å; M136-L148 HydrophobicContact CE-CD2 3.88Å; M136-L148 HydrophobicContact SD-CD2 4.2Å; M136-Y151 HydrophobicContact CE-CD2 3.29Å; M136-Y151 HydrophobicContact CE-CE2 3.23Å; M136-Y151 HydrophobicContact CE-CG 4.35Å
137M97.3Very high95.7Very high0 Ų032.6 Ų32.60%019%0.189CC..Hα-helixtrans-63.3-41.7178.3-74.6-177.3-64.100111.9Y85 M114 V133 R134 S139 L140 Y141 V221 L227 L230Y85-M137 HydrophobicContact CD2-SD 3.96Å; Y85-M137 HydrophobicContact CE2-SD 3.66Å; M114-M137 HydrophobicContact CE-CG 4.48Å; M114-M137 HydrophobicContact CE-SD 4.16Å; M114-M137 HydrophobicContact SD-CG 4.08Å; V133-M137 HydrophobicContact CG1-CE 3.45Å; V133-M137 VanDerWaalsContact CG1-CE 3.45Å; V133-M137 HydrophobicContact CG1-SD 4.32Å; V133-M137 WeakPolarHBondContact O-CE 3.35Å; V133-M137 WeakPolarHBondContact O-CG 3.37Å; V133-M137 PolarHBondContact O-N 2.92Å; R134-M137 PolarHBondContact O-N 3.29Å; M137-S139 PolarHBondContact O-N 3.48Å; M137-L140 PolarHBondContact O-N 3.34Å; M137-Y141 HydrophobicContact CB-CD2 4.39Å; M137-Y141 HydrophobicContact CB-CE2 4.2Å; M137-Y141 WeakPolarHBondContact O-CD2 3.39Å; M137-Y141 PolarHBondContact O-N 3.04Å; M137-V221 HydrophobicContact CE-CG2 3.93Å; M137-V221 HydrophobicContact SD-CG2 4.27Å; M137-L227 HydrophobicContact CE-CD2 3.21Å; M137-L227 HydrophobicContact SD-CD2 3.69Å; M137-L230 HydrophobicContact CB-CD1 3.68Å; M137-L230 HydrophobicContact CE-CD1 4.06Å; M137-L230 HydrophobicContact SD-CD1 4.5Å
138N97.5Very high96.1Very high51 Ų5130.9 Ų30.927%0.27317%0.171SC..Hα-helixtrans-55.7-49.2174.9-178.646.2000111.8R134 D135 R142 L230 I236R134-N138 PolarHBondContact O-N 3.06Å; D135-N138 PolarHBondContact O-N 2.89Å; N138-R142 WeakPolarHBondContact O-CG 3.3Å; N138-R142 PolarHBondContact OD1-NE 2.98Å; N138-L230 HydrophobicContact CB-CD2 3.72Å; N138-I236 WeakPolarHBondContact OD1-CD1 3.4Å
139S98.2Very high96.3Very high24 Ų2433 Ų3317%0.16817%0.17CC..Hα-helixtrans-64-47177.2-69.30000112.3D135 M136 M137 Y141 R142 C143 D144D135-S139 PolarHBondContact O-N 2.76Å; D135-S139 VanDerWaalsContact O-N 3.14Å; M136-S139 PolarHBondContact O-N 3.01Å; M137-S139 PolarHBondContact O-N 3.48Å; S139-Y141 PolarHBondContact O-N 3.09Å; S139-R142 CarbonylContact O-C 3.58Å; S139-R142 PolarHBondContact O-N 2.89Å; S139-R142 VanDerWaalsContact O-N 3.08Å; S139-C143 PolarHBondContact O-N 3.31Å; S139-D144 CarbonylContact C-O 3.41Å; S139-D144 PolarHBondContact O-N 2.92Å
140L98.3Very high96.4Very high0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-64.5-40.4-176.7-70.1176.8000112.3L110 P113 M136 M137 R142 C143 F145 V147 M214 I216L110-L140 HydrophobicContact CD1-CB 4.42Å; L110-L140 HydrophobicContact CD1-CD1 4.24Å; L110-L140 HydrophobicContact CD1-CD2 4.34Å; P113-L140 HydrophobicContact CB-CD1 3.59Å; P113-L140 HydrophobicContact CG-CD1 3.6Å; M136-L140 HydrophobicContact CG-CD1 3.67Å; M136-L140 HydrophobicContact CG-CG 4.13Å; M136-L140 WeakPolarHBondContact O-CB 3.27Å; M136-L140 VanDerWaalsContact O-CG 3.26Å; M136-L140 WeakPolarHBondContact O-CG 3.42Å; M136-L140 PolarHBondContact O-N 2.89Å; M136-L140 HydrophobicContact SD-CD1 4.26Å; M137-L140 PolarHBondContact O-N 3.34Å; L140-R142 PolarHBondContact O-N 3.34Å; L140-C143 WeakPolarHBondContact O-CA 3.3Å; L140-C143 PolarHBondContact O-N 3.48Å; L140-F145 HydrophobicContact CD2-CD1 3.89Å; L140-F145 HydrophobicContact CD2-CD2 4.44Å; L140-F145 HydrophobicContact CD2-CE1 4.04Å; L140-F145 HydrophobicContact CD2-CG 4.12Å; L140-F145 HydrophobicContact CD2-CZ 4.4Å; L140-V147 HydrophobicContact CD2-CG1 4.24Å; L140-V147 HydrophobicContact CG-CG1 4.3Å; L140-M214 WeakPolarHBondContact O-CE 3.45Å; L140-I216 HydrophobicContact CB-CD1 3.83Å; L140-I216 HydrophobicContact CD1-CD1 4.37Å
141Y98Very high96.5Very high3 Ų339.1 Ų39.11%0.01220%0.201CC..Hα-helixtrans-62.4-24.3175.8-75.5-49.3000113.3H83 I84 Y85 M137 S139 C143 M214 I216 L230 I236 L238H83-Y141 HydrophobicContact CB-CD1 3.66Å; H83-Y141 HydrophobicContact CB-CE1 3.78Å; H83-Y141 HydrophobicContact CB-CG 4.18Å; H83-Y141 AromaticContact CD2-CD1 3.59Å; H83-Y141 AromaticContact CD2-CG 3.93Å; H83-Y141 AromaticContact CG-CD1 3.92Å; H83-Y141 PolarHBondContact NE2-O 2.98Å; I84-Y141 PolarHBondContact O-OH 2.91Å; Y85-Y141 WeakPolarHBondContact CA-OH 3.36Å; Y85-Y141 WeakPolarHBondContact CB-OH 3.39Å; Y85-Y141 PolarHBondContact N-OH 2.87Å; M137-Y141 HydrophobicContact CB-CD2 4.39Å; M137-Y141 HydrophobicContact CB-CE2 4.2Å; M137-Y141 WeakPolarHBondContact O-CD2 3.39Å; M137-Y141 PolarHBondContact O-N 3.04Å; S139-Y141 PolarHBondContact O-N 3.09Å; Y141-C143 VanDerWaalsContact C-N 3.25Å; Y141-C143 PolarHBondContact O-N 3.38Å; Y141-M214 HydrophobicContact CD1-CB 4.46Å; Y141-M214 HydrophobicContact CD1-CG 4.2Å; Y141-M214 HydrophobicContact CD1-SD 4.22Å; Y141-I216 HydrophobicContact CD1-CD1 3.87Å; Y141-I216 HydrophobicContact CD1-CG1 4.3Å; Y141-I216 HydrophobicContact CE1-CB 4.27Å; Y141-I216 HydrophobicContact CE1-CD1 3.59Å; Y141-I216 HydrophobicContact CE1-CG1 3.7Å; Y141-I216 HydrophobicContact CE2-CD1 4.3Å; Y141-I216 HydrophobicContact CG-CD1 4.35Å; Y141-L230 HydrophobicContact CE2-CD1 4.47Å; Y141-I236 HydrophobicContact CD2-CG2 4.13Å; Y141-I236 HydrophobicContact CG-CG2 4.29Å; Y141-L238 HydrophobicContact CE2-CD1 3.9Å
142R97.6Very high96.5Very high116 Ų11638.3 Ų38.344%0.43819%0.192SC..THydrogen-bonded Turntrans-88.18.9173.7-63.6170.6179.1-83.24.6112.9N138 S139 L140 D144 D233N138-R142 WeakPolarHBondContact O-CG 3.3Å; N138-R142 PolarHBondContact OD1-NE 2.98Å; S139-R142 CarbonylContact O-C 3.58Å; S139-R142 PolarHBondContact O-N 2.89Å; S139-R142 VanDerWaalsContact O-N 3.08Å; L140-R142 PolarHBondContact O-N 3.34Å; R142-D144 PolarHBondContact O-N 3.34Å; R142-D233 IonicContact CZ-OD2 2.86Å; R142-D233 IonicContact NH2-OD1 3.82Å; R142-D233 PolarHBondContact NH2-OD1 2.84Å; R142-D233 IonicContact NH2-OD2 2.63Å; R142-D233 PolarHBondContact NH2-OD2 2.87Å
143C98.1Very high96.1Very high3 Ų340.4 Ų40.42%0.0222%0.216CC..THydrogen-bonded Turntrans53.439.3-171.5-590000112.8R81 S139 L140 Y141 F145 E205 C208 K209R81-C143 PolarHBondContact NH1-SG 2.93Å; S139-C143 PolarHBondContact O-N 3.31Å; L140-C143 WeakPolarHBondContact O-CA 3.3Å; L140-C143 PolarHBondContact O-N 3.48Å; Y141-C143 VanDerWaalsContact C-N 3.25Å; Y141-C143 PolarHBondContact O-N 3.38Å; C143-F145 HydrophobicContact CB-CE2 4.46Å; C143-E205 VanDerWaalsContact O-CG 3.26Å; C143-E205 WeakPolarHBondContact O-CG 3.32Å; C143-C208 HydrophobicContact CB-CB 3.68Å; C143-C208 WeakPolarHBondContact CB-SG 3.49Å; C143-C208 WeakPolarHBondContact SG-CB 3.47Å; C143-C208 CovalentContact SG-SG 2.03Å; C143-C208 PolarHBondContact SG-SG 2.78Å; C143-K209 HydrophobicContact CB-CG 3.98Å
144D97.8Very high95.5Very high60 Ų6046.7 Ų46.732%0.32126%0.26SS..  trans-102.5102.4168.3177.49.7000109S139 R142 S146S139-D144 CarbonylContact C-O 3.41Å; S139-D144 PolarHBondContact O-N 2.92Å; R142-D144 PolarHBondContact O-N 3.34Å; D144-S146 WeakPolarHBondContact OD1-CB 3.46Å; D144-S146 PolarHBondContact OD1-N 3.25Å; D144-S146 PolarHBondContact OD1-OG 2.84Å; D144-S146 PolarHBondContact OD2-OG 3.38Å
145F97.6Very high94.9Very high1 Ų149.1 Ų49.10%0.00428%0.275CS..  trans-92.2-3.8-178.7-75.1-107.5000111.8F108 L110 L140 C143 V147 L148 I162 L201 L204 E205 C208 M214F108-F145 HydrophobicContact CE1-CE2 4.49Å; F108-F145 AromaticContact CE1-CZ 3.7Å; F108-F145 HydrophobicContact CE1-CZ 3.7Å; F108-F145 HydrophobicContact CZ-CE2 4.4Å; F108-F145 AromaticContact CZ-CZ 3.73Å; F108-F145 HydrophobicContact CZ-CZ 3.73Å; L110-F145 HydrophobicContact CD1-CE1 4.01Å; L110-F145 HydrophobicContact CD1-CZ 3.96Å; L110-F145 HydrophobicContact CD2-CE1 3.92Å; L110-F145 HydrophobicContact CD2-CZ 4.14Å; L140-F145 HydrophobicContact CD2-CD1 3.89Å; L140-F145 HydrophobicContact CD2-CD2 4.44Å; L140-F145 HydrophobicContact CD2-CE1 4.04Å; L140-F145 HydrophobicContact CD2-CG 4.12Å; L140-F145 HydrophobicContact CD2-CZ 4.4Å; C143-F145 HydrophobicContact CB-CE2 4.46Å; F145-V147 PolarHBondContact O-N 2.75Å; F145-L148 HydrophobicContact CB-CD1 4.42Å; F145-L148 HydrophobicContact CD1-CD1 3.93Å; F145-L148 WeakPolarHBondContact O-CB 3.19Å; F145-L148 PolarHBondContact O-N 2.94Å; F145-L148 VanDerWaalsContact O-N 3.14Å; F145-I162 HydrophobicContact CD1-CD1 3.65Å; F145-I162 HydrophobicContact CE1-CD1 3.91Å; F145-L201 HydrophobicContact CB-CB 4.27Å; F145-L201 HydrophobicContact CB-CD1 4.19Å; F145-L204 HydrophobicContact CD1-CD2 4.14Å; F145-L204 HydrophobicContact CE1-CD2 3.81Å; F145-L204 HydrophobicContact CE1-CG 4.5Å; F145-L204 HydrophobicContact CZ-CD2 4.19Å; F145-L204 HydrophobicContact CZ-CG 4.41Å; F145-E205 HydrophobicContact CB-CG 4.11Å; F145-E205 HydrophobicContact CD2-CG 3.67Å; F145-E205 HydrophobicContact CG-CG 4.26Å; F145-E205 PolarHBondContact N-OE1 3.03Å; F145-C208 HydrophobicContact CE2-CB 4.18Å; F145-M214 HydrophobicContact CZ-CE 4.36Å
146S95.4Very high94.5Very high52 Ų5253.4 Ų53.436%0.36430%0.298SS..G310 helixtrans-62.4-25.8176.677.70000112.3D144 L148 K149D144-S146 WeakPolarHBondContact OD1-CB 3.46Å; D144-S146 PolarHBondContact OD1-N 3.25Å; D144-S146 PolarHBondContact OD1-OG 2.84Å; D144-S146 PolarHBondContact OD2-OG 3.38Å; S146-L148 PolarHBondContact O-N 2.88Å; S146-L148 VanDerWaalsContact O-N 3.1Å; S146-K149 VanDerWaalsContact O-CB 3.22Å; S146-K149 WeakPolarHBondContact O-CB 3.46Å; S146-K149 VanDerWaalsContact O-CG 3.32Å; S146-K149 WeakPolarHBondContact O-CG 3.21Å; S146-K149 PolarHBondContact O-N 3.39Å
147V96.3Very high94.4Very high14 Ų1454.3 Ų54.39%0.08530%0.302CS..G310 helixtrans-54.7-28.9174.472.40000113M136 L140 F145 K149 L150M136-V147 HydrophobicContact CB-CG2 4.43Å; M136-V147 HydrophobicContact CG-CG1 4.16Å; L140-V147 HydrophobicContact CD2-CG1 4.24Å; L140-V147 HydrophobicContact CG-CG1 4.3Å; F145-V147 PolarHBondContact O-N 2.75Å; V147-K149 PolarHBondContact O-N 3.42Å; V147-L150 HydrophobicContact CG2-CD1 4.13Å; V147-L150 WeakPolarHBondContact O-CB 3.09Å; V147-L150 WeakPolarHBondContact O-CG 3.37Å; V147-L150 PolarHBondContact O-N 3.41Å
148L96.2Very high94.4Very high2 Ų256.4 Ų56.41%0.0132%0.315CS..G310 helixtrans-65.8-24178.2-66.1172.3000112.6M136 F145 S146 L150 Y151 A152 I157 F161 I162M136-L148 HydrophobicContact CE-CD2 3.88Å; M136-L148 HydrophobicContact SD-CD2 4.2Å; F145-L148 HydrophobicContact CB-CD1 4.42Å; F145-L148 HydrophobicContact CD1-CD1 3.93Å; F145-L148 WeakPolarHBondContact O-CB 3.19Å; F145-L148 PolarHBondContact O-N 2.94Å; F145-L148 VanDerWaalsContact O-N 3.14Å; S146-L148 PolarHBondContact O-N 2.88Å; S146-L148 VanDerWaalsContact O-N 3.1Å; L148-L150 PolarHBondContact O-N 3.2Å; L148-Y151 PolarHBondContact O-N 3.47Å; L148-A152 PolarHBondContact O-N 3.24Å; L148-I157 HydrophobicContact CB-CD1 3.81Å; L148-F161 HydrophobicContact CB-CD1 4.2Å; L148-F161 HydrophobicContact CB-CE1 4.09Å; L148-I162 HydrophobicContact CD1-CD1 3.37Å
149K94.8Very high94.4Very high121 Ų12154 Ų5453%0.52630%0.303SS..G310 helixtrans-61.2-31.3178-64.6-178.7179.5-177.90112.1S146 V147 Y151 A152 I157S146-K149 VanDerWaalsContact O-CB 3.22Å; S146-K149 WeakPolarHBondContact O-CB 3.46Å; S146-K149 VanDerWaalsContact O-CG 3.32Å; S146-K149 WeakPolarHBondContact O-CG 3.21Å; S146-K149 PolarHBondContact O-N 3.39Å; V147-K149 PolarHBondContact O-N 3.42Å; K149-Y151 PolarHBondContact O-N 3.06Å; K149-Y151 VanDerWaalsContact O-N 3.09Å; K149-A152 PolarHBondContact O-N 2.99Å; K149-A152 VanDerWaalsContact O-N 3.13Å; K149-I157 HydrophobicContact CB-CD1 4.27Å; K149-I157 HydrophobicContact CG-CD1 3.36Å; K149-I157 HydrophobicContact CG-CG1 3.86Å
150L94.4Very high94.3Very high129 Ų12954.2 Ų54.268%0.67531%0.306SS*.G310 helixtrans-58.2-24.6176.6-61.1176.2000112.6V147 L148V147-L150 HydrophobicContact CG2-CD1 4.13Å; V147-L150 WeakPolarHBondContact O-CB 3.09Å; V147-L150 WeakPolarHBondContact O-CG 3.37Å; V147-L150 PolarHBondContact O-N 3.41Å; L148-L150 PolarHBondContact O-N 3.2Å
151Y94.9Very high94.2Very high28 Ų2856.1 Ų56.111%0.1131%0.314CS..G310 helixtrans-112.66-176.8-51.5-76.1000113.1I117 T120 L121 M136 L148 K149I117-Y151 HydrophobicContact CB-CD1 4.44Å; I117-Y151 HydrophobicContact CB-CE1 4.24Å; I117-Y151 HydrophobicContact CD1-CE2 4.36Å; I117-Y151 HydrophobicContact CG1-CD1 4.16Å; I117-Y151 HydrophobicContact CG1-CD2 4.16Å; I117-Y151 HydrophobicContact CG1-CE1 3.84Å; I117-Y151 HydrophobicContact CG1-CE2 3.85Å; I117-Y151 HydrophobicContact CG1-CG 4.3Å; I117-Y151 HydrophobicContact CG2-CE1 4.14Å; T120-Y151 PolarHBondContact OG1-O 3.11Å; L121-Y151 HydrophobicContact CD1-CE1 4.09Å; L121-Y151 HydrophobicContact CG-CE1 4.47Å; M136-Y151 HydrophobicContact CE-CD2 3.29Å; M136-Y151 HydrophobicContact CE-CE2 3.23Å; M136-Y151 HydrophobicContact CE-CG 4.35Å; L148-Y151 PolarHBondContact O-N 3.47Å; K149-Y151 PolarHBondContact O-N 3.06Å; K149-Y151 VanDerWaalsContact O-N 3.09Å
152A92.3Very high94.2Very high10 Ų1056.4 Ų56.48%0.08332%0.316CS..SBendtrans-94.8-6.7-179.400000113.9L148 K149 Q155 I157 F161L148-A152 PolarHBondContact O-N 3.24Å; K149-A152 PolarHBondContact O-N 2.99Å; K149-A152 VanDerWaalsContact O-N 3.13Å; A152-Q155 PolarHBondContact O-N 2.58Å; A152-I157 HydrophobicContact CB-CG2 3.29Å; A152-F161 HydrophobicContact CB-CE1 4.18Å; A152-F161 HydrophobicContact CB-CE2 4.03Å; A152-F161 HydrophobicContact CB-CZ 3.69Å
153G86.8Confident94.1Very high67 Ų6753.7 Ų53.769%0.69131%0.307SS*.THydrogen-bonded Turntrans62.6-134-171.300000110.9Q155G153-Q155 VanDerWaalsContact C-N 3.3Å; G153-Q155 PolarHBondContact O-N 3.22Å
154S82.9Confident93.9Very high132 Ų13255 Ų5592%0.92332%0.321SS*.THydrogen-bonded Turntrans-86.98.9-179.9-46.70000114.3
155Q84.3Confident93.9Very high140 Ų14053.7 Ų53.765%0.65431%0.312SS*.PPolyproline II helixtrans-86.7137.7-173.8-61.9-176.9-1.600112A152 G153 I157A152-Q155 PolarHBondContact O-N 2.58Å; G153-Q155 VanDerWaalsContact C-N 3.3Å; G153-Q155 PolarHBondContact O-N 3.22Å; Q155-I157 PolarHBondContact O-N 2.99Å
156N89.3Confident93.8Very high168 Ų16856.9 Ų56.990%0.89833%0.326SS*.PPolyproline II helixtrans-69.6124165.4-73-25.1000109.4
157I94.9Very high93.7Very high19 Ų1957.2 Ų57.210%0.09732%0.322CS..PPolyproline II helixtrans-97.4144.5-178.361.3175.6000111.9L148 K149 A152 Q155 F161 L201L148-I157 HydrophobicContact CB-CD1 3.81Å; K149-I157 HydrophobicContact CB-CD1 4.27Å; K149-I157 HydrophobicContact CG-CD1 3.36Å; K149-I157 HydrophobicContact CG-CG1 3.86Å; A152-I157 HydrophobicContact CB-CG2 3.29Å; Q155-I157 PolarHBondContact O-N 2.99Å; I157-F161 HydrophobicContact CB-CB 3.87Å; I157-F161 HydrophobicContact CB-CD1 4.17Å; I157-F161 HydrophobicContact CB-CG 3.96Å; I157-F161 HydrophobicContact CD1-CD1 4.36Å; I157-F161 HydrophobicContact CG2-CB 4.03Å; I157-F161 HydrophobicContact CG2-CD1 3.76Å; I157-F161 HydrophobicContact CG2-CD2 3.76Å; I157-F161 HydrophobicContact CG2-CE1 4.11Å; I157-F161 HydrophobicContact CG2-CE2 4.12Å; I157-F161 HydrophobicContact CG2-CG 3.57Å; I157-F161 HydrophobicContact CG2-CZ 4.28Å; I157-L201 HydrophobicContact CB-CD1 4.25Å; I157-L201 HydrophobicContact CD1-CD1 3.3Å; I157-L201 HydrophobicContact CG1-CD1 3.52Å; I157-L201 HydrophobicContact CG1-CG 4.45Å
158T96.9Very high93.7Very high44 Ų4456.9 Ų56.927%0.2732%0.32SS..BIsolated β-bridgetrans-132-178.2178.755.60000108.7A160 F161 K198 R199 L201T158-A160 PolarHBondContact O-N 3.27Å; T158-F161 VanDerWaalsContact O-CB 3.32Å; T158-F161 WeakPolarHBondContact O-CB 3.13Å; T158-F161 PolarHBondContact O-N 2.95Å; T158-K198 HydrophobicContact CG2-CB 4.3Å; T158-R199 CarbonylContact C-O 2.7Å; T158-R199 WeakPolarHBondContact CA-O 3.22Å; T158-R199 VanDerWaalsContact CB-O 3.23Å; T158-R199 WeakPolarHBondContact CB-O 3.44Å; T158-L201 WeakPolarHBondContact O-CD2 3.47Å
159T97.1Very high93.7Very high2 Ų257.2 Ų57.21%0.01232%0.321CS..G310 helixtrans-51.9-27.9172.652.50000113.5F161 I162 W165 R199 L204T159-F161 PolarHBondContact O-N 3.1Å; T159-I162 WeakPolarHBondContact O-CB 3.42Å; T159-I162 WeakPolarHBondContact O-CG1 3.41Å; T159-I162 PolarHBondContact O-N 3.38Å; T159-I162 VanDerWaalsContact O-N 3.13Å; T159-W165 VanDerWaalsContact O-CB 3.27Å; T159-W165 WeakPolarHBondContact O-CB 3.36Å; T159-R199 HydrophobicContact CG2-CB 3.86Å; T159-R199 PolarHBondContact N-O 3.14Å; T159-R199 PolarHBondContact OG1-N 2.95Å; T159-R199 VanDerWaalsContact OG1-N 3.1Å; T159-L204 HydrophobicContact CG2-CB 4.19Å; T159-L204 HydrophobicContact CG2-CD2 4.41Å
160A96.3Very high93.8Very high27 Ų2751.8 Ų51.822%0.22330%0.298CS..G310 helixtrans-69.8-14.1176.200000114.7T158 I162 W165 K198T158-A160 PolarHBondContact O-N 3.27Å; A160-I162 VanDerWaalsContact C-N 3.33Å; A160-W165 HydrophobicContact CB-CD2 4.3Å; A160-W165 HydrophobicContact CB-CZ2 4.07Å; A160-W165 PolarHBondContact O-NE1 2.89Å; A160-K198 HydrophobicContact CB-CB 4.45Å; A160-K198 HydrophobicContact CB-CD 3.81Å; A160-K198 HydrophobicContact CB-CG 3.86Å
161F96.6Very high93.9Very high41 Ų4145.8 Ų45.818%0.1827%0.267CS..G310 helixtrans-77-23172.4-167.3-105.6000111.6H116 L148 A152 I157 T158 T159 F163H116-F161 AromaticContact CE1-CD1 3.79Å; H116-F161 AromaticContact CE1-CE1 3.55Å; H116-F161 AromaticContact CE1-CZ 3.71Å; H116-F161 PolarHBondContact CE1-O 3.23Å; H116-F161 AromaticContact CG-CE1 3.82Å; H116-F161 AromaticContact ND1-CE1 3.48Å; H116-F161 WeakPolarHBondContact ND1-CE1 3.32Å; H116-F161 AromaticContact ND1-CE2 3.99Å; H116-F161 AromaticContact ND1-CZ 3.37Å; H116-F161 WeakPolarHBondContact ND1-CZ 3.37Å; H116-F161 AromaticContact NE2-CE1 3.94Å; H116-F161 PolarHBondContact NE2-O 3.14Å; L148-F161 HydrophobicContact CB-CD1 4.2Å; L148-F161 HydrophobicContact CB-CE1 4.09Å; A152-F161 HydrophobicContact CB-CE1 4.18Å; A152-F161 HydrophobicContact CB-CE2 4.03Å; A152-F161 HydrophobicContact CB-CZ 3.69Å; I157-F161 HydrophobicContact CB-CB 3.87Å; I157-F161 HydrophobicContact CB-CD1 4.17Å; I157-F161 HydrophobicContact CB-CG 3.96Å; I157-F161 HydrophobicContact CD1-CD1 4.36Å; I157-F161 HydrophobicContact CG2-CB 4.03Å; I157-F161 HydrophobicContact CG2-CD1 3.76Å; I157-F161 HydrophobicContact CG2-CD2 3.76Å; I157-F161 HydrophobicContact CG2-CE1 4.11Å; I157-F161 HydrophobicContact CG2-CE2 4.12Å; I157-F161 HydrophobicContact CG2-CG 3.57Å; I157-F161 HydrophobicContact CG2-CZ 4.28Å; T158-F161 VanDerWaalsContact O-CB 3.32Å; T158-F161 WeakPolarHBondContact O-CB 3.13Å; T158-F161 PolarHBondContact O-N 2.95Å; T159-F161 PolarHBondContact O-N 3.1Å; F161-F163 PolarHBondContact O-N 3.45Å
162I97.1Very high94.1Very high8 Ų844.5 Ų44.54%0.04126%0.261CS..SBendtrans-62.2123.6177.2-54.5-57.1000109.3L110 F145 L148 T159 A160 G164 W165 I171 L201 L204L110-I162 HydrophobicContact CD2-CG2 4.15Å; F145-I162 HydrophobicContact CD1-CD1 3.65Å; F145-I162 HydrophobicContact CE1-CD1 3.91Å; L148-I162 HydrophobicContact CD1-CD1 3.37Å; T159-I162 WeakPolarHBondContact O-CB 3.42Å; T159-I162 WeakPolarHBondContact O-CG1 3.41Å; T159-I162 PolarHBondContact O-N 3.38Å; T159-I162 VanDerWaalsContact O-N 3.13Å; A160-I162 VanDerWaalsContact C-N 3.33Å; I162-G164 PolarHBondContact O-N 3.22Å; I162-W165 HydrophobicContact CB-CB 4.19Å; I162-W165 VanDerWaalsContact O-CB 3.3Å; I162-W165 WeakPolarHBondContact O-CB 3.36Å; I162-W165 PolarHBondContact O-N 3.46Å; I162-I171 HydrophobicContact CB-CD1 4.05Å; I162-I171 HydrophobicContact CG1-CD1 4.13Å; I162-I171 HydrophobicContact CG2-CD1 4.21Å; I162-L201 HydrophobicContact CD1-CD2 3.98Å; I162-L201 HydrophobicContact CG1-CD2 4.15Å; I162-L204 HydrophobicContact CD1-CD2 4.24Å; I162-L204 HydrophobicContact CG1-CD2 3.88Å
163F96.3Very high94.3Very high60 Ų6044.1 Ų44.126%0.26326%0.258SS..THydrogen-bonded Turntrans-59.8127.4177.6-171.2-113000110.6Y111 E112 W115 F161Y111-F163 AromaticContact CD1-CD1 3.71Å; Y111-F163 HydrophobicContact CD1-CD1 3.71Å; Y111-F163 AromaticContact CD1-CE1 3.65Å; Y111-F163 HydrophobicContact CD1-CE1 3.65Å; Y111-F163 HydrophobicContact CE1-CD1 4.24Å; Y111-F163 AromaticContact CE1-CE1 3.7Å; Y111-F163 HydrophobicContact CE1-CE1 3.7Å; Y111-F163 WeakPolarHBondContact O-CD1 3.26Å; E112-F163 HydrophobicContact CB-CD1 3.85Å; E112-F163 HydrophobicContact CB-CE1 4.02Å; W115-F163 HydrophobicContact CB-CB 4.49Å; W115-F163 HydrophobicContact CB-CD1 4.12Å; W115-F163 HydrophobicContact CB-CD2 4.32Å; W115-F163 HydrophobicContact CB-CE1 4.43Å; W115-F163 HydrophobicContact CB-CG 4.06Å; W115-F163 AromaticContact CD1-CE2 3.84Å; W115-F163 AromaticContact CD1-CZ 3.8Å; W115-F163 AromaticContact CD2-CD2 3.77Å; W115-F163 HydrophobicContact CD2-CD2 3.77Å; W115-F163 AromaticContact CD2-CE2 3.87Å; W115-F163 HydrophobicContact CD2-CE2 3.87Å; W115-F163 HydrophobicContact CD2-CG 4.38Å; W115-F163 AromaticContact CE2-CE2 3.81Å; W115-F163 AromaticContact CE3-CD2 3.99Å; W115-F163 HydrophobicContact CE3-CD2 3.99Å; W115-F163 HydrophobicContact CE3-CE2 4.48Å; W115-F163 HydrophobicContact CG-CD1 4.36Å; W115-F163 AromaticContact CG-CD2 3.92Å; W115-F163 HydrophobicContact CG-CD2 3.92Å; W115-F163 HydrophobicContact CG-CE1 4.36Å; W115-F163 AromaticContact CG-CE2 3.93Å; W115-F163 HydrophobicContact CG-CE2 3.93Å; W115-F163 HydrophobicContact CG-CG 4.16Å; W115-F163 HydrophobicContact CG-CZ 4.17Å; W115-F163 HydrophobicContact CZ2-CE2 4.36Å; W115-F163 AromaticContact NE1-CE2 3.84Å; F161-F163 PolarHBondContact O-N 3.45Å
164G94.9Very high94.7Very high30 Ų3047.2 Ų47.231%0.30926%0.255SS..THydrogen-bonded Turntrans74.816-175.600000115.6I162 K166 M167 N168I162-G164 PolarHBondContact O-N 3.22Å; G164-K166 PolarHBondContact O-N 3.3Å; G164-M167 PolarHBondContact O-N 3.11Å; G164-N168 PolarHBondContact O-N 2.98Å
165W96.4Very high95.3Very high33 Ų3343.9 Ų43.913%0.12523%0.23CC..G310 helixtrans-51.2-34.3-175.271.6-90.3000115.1T159 A160 I162 M167 N168 I171 C172 C193T159-W165 VanDerWaalsContact O-CB 3.27Å; T159-W165 WeakPolarHBondContact O-CB 3.36Å; A160-W165 HydrophobicContact CB-CD2 4.3Å; A160-W165 HydrophobicContact CB-CZ2 4.07Å; A160-W165 PolarHBondContact O-NE1 2.89Å; I162-W165 HydrophobicContact CB-CB 4.19Å; I162-W165 VanDerWaalsContact O-CB 3.3Å; I162-W165 WeakPolarHBondContact O-CB 3.36Å; I162-W165 PolarHBondContact O-N 3.46Å; W165-M167 PolarHBondContact O-N 3.29Å; W165-N168 WeakPolarHBondContact O-CB 3.41Å; W165-N168 PolarHBondContact O-N 3.46Å; W165-N168 VanDerWaalsContact O-N 3.13Å; W165-I171 HydrophobicContact CB-CD1 3.82Å; W165-I171 HydrophobicContact CE3-CG2 4.1Å; W165-C172 PolarHBondContact O-SG 3.32Å; W165-C193 VanDerWaalsContact CZ3-O 3.27Å; W165-C193 WeakPolarHBondContact CZ3-O 3.22Å
166K96Very high96Very high68 Ų6837.5 Ų37.530%0.29620%0.2SC..G310 helixtrans-69.8-12.7-179.2-56-179.4-173.6176.70114.5G164 C172 V188 E190 C193 A194G164-K166 PolarHBondContact O-N 3.3Å; K166-C172 PolarHBondContact O-SG 2.86Å; K166-V188 WeakPolarHBondContact O-CG1 3.4Å; K166-E190 HydrophobicContact CB-CG 3.63Å; K166-E190 HydrophobicContact CD-CG 3.49Å; K166-E190 VanDerWaalsContact CD-CG 3.49Å; K166-E190 WeakPolarHBondContact CD-OE1 3.19Å; K166-E190 HydrophobicContact CG-CG 4.27Å; K166-E190 IonicContact NZ-OE1 2.68Å; K166-E190 PolarHBondContact NZ-OE1 2.6Å; K166-C193 WeakPolarHBondContact O-CB 3.36Å; K166-A194 HydrophobicContact CD-CB 4.07Å
167M94.2Very high96.3Very high59 Ų5930 Ų3029%0.29116%0.161SC..G310 helixtrans-111.40176-56.9-60.1-174.500111.9N102 G164 W165 K169 E190N102-M167 PolarHBondContact ND2-O 3.44Å; N102-M167 VanDerWaalsContact ND2-O 3.12Å; G164-M167 PolarHBondContact O-N 3.11Å; W165-M167 PolarHBondContact O-N 3.29Å; M167-K169 PolarHBondContact O-N 2.96Å; M167-E190 HydrophobicContact CE-CB 3.45Å; M167-E190 VanDerWaalsContact CE-CB 3.45Å; M167-E190 HydrophobicContact CE-CG 3.65Å; M167-E190 VanDerWaalsContact CE-OE2 3.27Å; M167-E190 WeakPolarHBondContact CE-OE2 3.48Å; M167-E190 HydrophobicContact SD-CB 4.1Å; M167-E190 HydrophobicContact SD-CG 4.42Å
168N95.9Very high96.4Very high6 Ų634.8 Ų34.83%0.03219%0.187CC..  trans-81.3113.9-178.1-176-62.6000109.1Y109 G164 W165 V170 I171 C172Y109-N168 PolarHBondContact O-ND2 3.2Å; G164-N168 PolarHBondContact O-N 2.98Å; W165-N168 WeakPolarHBondContact O-CB 3.41Å; W165-N168 PolarHBondContact O-N 3.46Å; W165-N168 VanDerWaalsContact O-N 3.13Å; N168-V170 VanDerWaalsContact C-N 3.25Å; N168-V170 PolarHBondContact O-N 3.46Å; N168-V170 WeakPolarHBondContact OD1-CA 3.46Å; N168-V170 WeakPolarHBondContact OD1-CB 3.47Å; N168-V170 PolarHBondContact OD1-N 3.06Å; N168-I171 HydrophobicContact CB-CB 4.08Å; N168-I171 HydrophobicContact CB-CD1 3.94Å; N168-I171 HydrophobicContact CB-CG1 4.12Å; N168-I171 PolarHBondContact O-N 3.3Å; N168-I171 PolarHBondContact OD1-N 2.94Å; N168-C172 WeakPolarHBondContact O-CB 3.34Å; N168-C172 PolarHBondContact O-N 2.94Å; N168-C172 PolarHBondContact O-SG 3.14Å
169K95.8Very high96.4Very high9 Ų932.9 Ų32.94%0.03918%0.176CC..THydrogen-bonded Turntrans-59.2-35.9-176.6-78.7-178.5120.9-169.20112.9N102 Q103 M167 C172 S173 H180 E184 V188N102-K169 WeakPolarHBondContact O-CD 3.27Å; Q103-K169 PolarHBondContact O-NZ 3.01Å; M167-K169 PolarHBondContact O-N 2.96Å; K169-C172 PolarHBondContact O-N 3.34Å; K169-S173 WeakPolarHBondContact O-CB 3.41Å; K169-S173 PolarHBondContact O-N 2.87Å; K169-S173 VanDerWaalsContact O-N 3.08Å; K169-S173 PolarHBondContact O-OG 2.99Å; K169-H180 WeakPolarHBondContact CE-NE2 3.22Å; K169-E184 VanDerWaalsContact CE-O 3.31Å; K169-E184 WeakPolarHBondContact CE-O 3.07Å; K169-E184 PolarHBondContact NZ-O 3.3Å; K169-V188 HydrophobicContact CB-CG2 4.36Å; K169-V188 HydrophobicContact CD-CG2 4.49Å; K169-V188 HydrophobicContact CG-CG2 3.39Å
170V96.5Very high96.3Very high7 Ų733.5 Ų33.54%0.04218%0.178CC..THydrogen-bonded Turntrans-68.5-45.3179.4-175.50000111.1F108 N168 C172 S173 L204 E207 Y211F108-V170 HydrophobicContact CD2-CB 4.26Å; F108-V170 HydrophobicContact CD2-CG1 3.97Å; F108-V170 HydrophobicContact CD2-CG2 3.91Å; F108-V170 HydrophobicContact CE2-CB 4.21Å; F108-V170 HydrophobicContact CE2-CG1 3.8Å; F108-V170 HydrophobicContact CE2-CG2 4.35Å; N168-V170 VanDerWaalsContact C-N 3.25Å; N168-V170 PolarHBondContact O-N 3.46Å; N168-V170 WeakPolarHBondContact OD1-CA 3.46Å; N168-V170 WeakPolarHBondContact OD1-CB 3.47Å; N168-V170 PolarHBondContact OD1-N 3.06Å; V170-C172 VanDerWaalsContact C-N 3.3Å; V170-C172 PolarHBondContact O-N 3.37Å; V170-S173 PolarHBondContact O-N 2.79Å; V170-L204 HydrophobicContact CG1-CD1 4.39Å; V170-E207 HydrophobicContact CG1-CB 4.16Å; V170-Y211 HydrophobicContact CG1-CE2 4.06Å; V170-Y211 HydrophobicContact CG2-CE1 4.13Å; V170-Y211 HydrophobicContact CG2-CE2 4.23Å
171I97.4Very high96.2Very high4 Ų438.8 Ų38.82%0.02120%0.199CC..THydrogen-bonded Turntrans-66.2-35.6178.4-64.2172.9000111.3I162 W165 N168 S173 C177 L204I162-I171 HydrophobicContact CB-CD1 4.05Å; I162-I171 HydrophobicContact CG1-CD1 4.13Å; I162-I171 HydrophobicContact CG2-CD1 4.21Å; W165-I171 HydrophobicContact CB-CD1 3.82Å; W165-I171 HydrophobicContact CE3-CG2 4.1Å; N168-I171 HydrophobicContact CB-CB 4.08Å; N168-I171 HydrophobicContact CB-CD1 3.94Å; N168-I171 HydrophobicContact CB-CG1 4.12Å; N168-I171 PolarHBondContact O-N 3.3Å; N168-I171 PolarHBondContact OD1-N 2.94Å; I171-S173 VanDerWaalsContact C-N 3.33Å; I171-C177 WeakPolarHBondContact O-CB 3.15Å; I171-L204 HydrophobicContact CD1-CD2 4.18Å; I171-L204 HydrophobicContact CG1-CD1 3.84Å; I171-L204 HydrophobicContact CG1-CD2 4.35Å
172C97.5Very high95.9Very high0 Ų040.5 Ų40.50%020%0.204CC..THydrogen-bonded Turntrans-86.71-178.2-55.10000113.8W165 K166 N168 K169 V170 A179 H180 V188 C193W165-C172 PolarHBondContact O-SG 3.32Å; K166-C172 PolarHBondContact O-SG 2.86Å; N168-C172 WeakPolarHBondContact O-CB 3.34Å; N168-C172 PolarHBondContact O-N 2.94Å; N168-C172 PolarHBondContact O-SG 3.14Å; K169-C172 PolarHBondContact O-N 3.34Å; V170-C172 VanDerWaalsContact C-N 3.3Å; V170-C172 PolarHBondContact O-N 3.37Å; C172-A179 CarbonylContact O-C 3.55Å; C172-A179 PolarHBondContact O-N 3.42Å; C172-H180 HydrophobicContact CB-CB 4.13Å; C172-H180 WeakPolarHBondContact O-CB 3.39Å; C172-H180 PolarHBondContact O-N 2.91Å; C172-V188 HydrophobicContact CB-CG1 3.86Å; C172-C193 HydrophobicContact CB-CB 3.8Å; C172-C193 WeakPolarHBondContact CB-SG 3.24Å; C172-C193 WeakPolarHBondContact SG-CB 3.32Å; C172-C193 CovalentContact SG-SG 2.02Å; C172-C193 PolarHBondContact SG-SG 2.92Å
173S97Very high95.7Very high2 Ų247 Ų471%0.01423%0.234CC..BIsolated β-bridgetrans-118.7163.1179.2-53.80000112.4K169 V170 I171 L176 C177 H180 R182K169-S173 WeakPolarHBondContact O-CB 3.41Å; K169-S173 PolarHBondContact O-N 2.87Å; K169-S173 VanDerWaalsContact O-N 3.08Å; K169-S173 PolarHBondContact O-OG 2.99Å; V170-S173 PolarHBondContact O-N 2.79Å; I171-S173 VanDerWaalsContact C-N 3.33Å; S173-L176 PolarHBondContact O-N 2.77Å; S173-C177 CarbonylContact C-O 3.55Å; S173-C177 WeakPolarHBondContact CA-O 3.48Å; S173-C177 PolarHBondContact O-N 3.27Å; S173-C177 VanDerWaalsContact O-N 3.08Å; S173-H180 WeakPolarHBondContact CA-O 3.39Å; S173-H180 WeakPolarHBondContact CB-O 3.41Å; S173-H180 PolarHBondContact OG-O 2.85Å; S173-R182 PolarHBondContact OG-N 3.46Å
174E95.8Very high95.6Very high132 Ų13248.5 Ų48.562%0.61724%0.242SC*.THydrogen-bonded Turntrans-58.9140.7179.4-74.5-73.4171.100110.4C177E174-C177 PolarHBondContact N-O 2.62Å
175P96.3Very high95.6Very high63 Ų6349 Ų4941%0.40924%0.237SC..THydrogen-bonded Turncis-88.81.58.135.9-36.5000115.2E207P175-E207 VanDerWaalsContact CD-CD 3.46Å; P175-E207 HydrophobicContact CG-CG 4.14Å; P175-E207 VanDerWaalsContact CG-OE1 3.31Å; P175-E207 WeakPolarHBondContact CG-OE1 3.48Å
176L97.1Very high95.5Very high5 Ų548.2 Ų48.23%0.02624%0.239CC..THydrogen-bonded Turntrans-80.4-39.2-173.4-63.6175.3000111.5S173 R199 E203 L204 E207S173-L176 PolarHBondContact O-N 2.77Å; L176-R199 HydrophobicContact CB-CG 4.47Å; L176-R199 HydrophobicContact CD2-CB 4.13Å; L176-R199 HydrophobicContact CD2-CG 4.02Å; L176-R199 PolarHBondContact O-NE 2.76Å; L176-E203 HydrophobicContact CD2-CB 3.66Å; L176-L204 HydrophobicContact CD1-CD1 3.71Å; L176-E207 HydrophobicContact CD1-CG 4.18Å; L176-E207 HydrophobicContact CG-CG 4.2Å
177C97.4Very high95.5Very high12 Ų1248.2 Ų48.28%0.08124%0.242CC..  trans-157.2156.6176.5-171.20000113.1I171 S173 E174 A179 C196I171-C177 WeakPolarHBondContact O-CB 3.15Å; S173-C177 CarbonylContact C-O 3.55Å; S173-C177 WeakPolarHBondContact CA-O 3.48Å; S173-C177 PolarHBondContact O-N 3.27Å; S173-C177 VanDerWaalsContact O-N 3.08Å; E174-C177 PolarHBondContact N-O 2.62Å; C177-A179 PolarHBondContact SG-N 3.11Å; C177-C196 HydrophobicContact CB-CB 3.65Å; C177-C196 WeakPolarHBondContact CB-SG 3.18Å; C177-C196 WeakPolarHBondContact SG-CB 3.41Å; C177-C196 CovalentContact SG-SG 2Å; C177-C196 PolarHBondContact SG-SG 3.08Å
178D96.1Very high95.5Very high118 Ų11845.9 Ų45.963%0.63123%0.231SC*.SBendtrans-96.712.6177.566.4-19.3000113.8H180D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.03Å
179A96.7Very high95.4Very high5 Ų552.6 Ų52.64%0.04126%0.256CS..SBendtrans-72.3-22.7-17400000114.1C172 C177 R192 C193C172-A179 CarbonylContact O-C 3.55Å; C172-A179 PolarHBondContact O-N 3.42Å; C177-A179 PolarHBondContact SG-N 3.11Å; A179-R192 HydrophobicContact CB-CB 4.19Å; A179-R192 PolarHBondContact O-NH1 3.43Å; A179-R192 PolarHBondContact O-NH2 3.45Å; A179-C193 HydrophobicContact CB-CB 4.16Å
180H96Very high95.3Very high14 Ų1456.2 Ų56.27%0.06527%0.273CS..BIsolated β-bridgetrans-144.3150.5-178.7-16575.6000110.1K169 C172 S173 D178 E184K169-H180 WeakPolarHBondContact CE-NE2 3.22Å; C172-H180 HydrophobicContact CB-CB 4.13Å; C172-H180 WeakPolarHBondContact O-CB 3.39Å; C172-H180 PolarHBondContact O-N 2.91Å; S173-H180 WeakPolarHBondContact CA-O 3.39Å; S173-H180 WeakPolarHBondContact CB-O 3.41Å; S173-H180 PolarHBondContact OG-O 2.85Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.03Å; H180-E184 IonicContact CE1-OE2 2.71Å; H180-E184 PolarHBondContact NE2-O 2.92Å; H180-E184 VanDerWaalsContact NE2-O 3.16Å
181Q94.3Very high95.2Very high139 Ų13959.8 Ų59.865%0.6529%0.292SS*.  trans-94.6129.3173.2-63.2-176.716.300110.6H183 E184Q181-H183 VanDerWaalsContact C-N 3.26Å; Q181-H183 PolarHBondContact O-N 3.33Å; Q181-H183 VanDerWaalsContact O-N 3.11Å; Q181-E184 HydrophobicContact CB-CB 3.88Å; Q181-E184 WeakPolarHBondContact O-CB 3.43Å; Q181-E184 PolarHBondContact O-N 2.71Å
182R90.1Very high95.1Very high76 Ų7665 Ų6529%0.28731%0.311SS..THydrogen-bonded Turntrans-51.1-41.5-176180177.3172.4-178.5-3.4114.1P105 S173 Y211P105-R182 PolarHBondContact O-NE 2.87Å; P105-R182 PolarHBondContact O-NH2 2.77Å; S173-R182 PolarHBondContact OG-N 3.46Å; R182-Y211 PolarHBondContact NE-OH 2.82Å; R182-Y211 VanDerWaalsContact NH2-CE1 3.28Å
183H92.4Very high95.1Very high146 Ų14665 Ų6568%0.67631%0.311SS*.THydrogen-bonded Turntrans-87.1-9.6-176.8-58.194.7000113.7Q181 I185Q181-H183 VanDerWaalsContact C-N 3.26Å; Q181-H183 PolarHBondContact O-N 3.33Å; Q181-H183 VanDerWaalsContact O-N 3.11Å; H183-I185 PolarHBondContact O-N 2.96Å
184E94.1Very high95.1Very high91 Ų9167 Ų6743%0.42533%0.328SS..  trans-74.2124.6179.4178.6-174.7177.300110.2K169 H180 Q181K169-E184 VanDerWaalsContact CE-O 3.31Å; K169-E184 WeakPolarHBondContact CE-O 3.07Å; K169-E184 PolarHBondContact NZ-O 3.3Å; H180-E184 IonicContact CE1-OE2 2.71Å; H180-E184 PolarHBondContact NE2-O 2.92Å; H180-E184 VanDerWaalsContact NE2-O 3.16Å; Q181-E184 HydrophobicContact CB-CB 3.88Å; Q181-E184 WeakPolarHBondContact O-CB 3.43Å; Q181-E184 PolarHBondContact O-N 2.71Å
185I95.4Very high95.1Very high40 Ų4069.1 Ų69.121%0.20534%0.335CS..  trans-87.7122.5174.8-53-59.3000109.9Q103 H183 F352 A354 F358Q103-I185 HydrophobicContact CB-CD1 4.29Å; Q103-I185 HydrophobicContact CB-CG2 4.48Å; Q103-I185 HydrophobicContact CG-CG2 4.47Å; Q103-I185 WeakPolarHBondContact O-CD1 3.26Å; H183-I185 PolarHBondContact O-N 2.96Å; I185-F352 HydrophobicContact CD1-CE2 3.58Å; I185-F352 HydrophobicContact CD1-CZ 3.74Å; I185-F352 HydrophobicContact CG1-CE2 3.74Å; I185-F352 HydrophobicContact CG1-CZ 4.41Å; I185-A354 HydrophobicContact CB-CB 4.44Å; I185-A354 HydrophobicContact CG1-CB 4Å; I185-F358 HydrophobicContact CG2-CB 3.56Å; I185-F358 HydrophobicContact CG2-CD2 4.01Å; I185-F358 HydrophobicContact CG2-CG 3.84Å
186G94.3Very high95.1Very high17 Ų1766.8 Ų66.818%0.17532%0.32CS..SBendtrans159.5161.4-175.600000111.6Q103Q103-G186 PolarHBondContact NE2-O 3.34Å; Q103-G186 PolarHBondContact OE1-O 2.92Å; Q103-G186 VanDerWaalsContact OE1-O 3.06Å
187L94.4Very high95.1Very high67 Ų6772.9 Ų72.935%0.35135%0.348SS..  trans-67.4135.3173.6-65.8177000109.9E99 F358 M362 I376E99-L187 HydrophobicContact CG-CD2 3.71Å; L187-F358 HydrophobicContact CD2-CE2 4.36Å; L187-F358 HydrophobicContact CD2-CZ 4.03Å; L187-F358 HydrophobicContact CG-CE2 4.32Å; L187-F358 HydrophobicContact CG-CZ 4.47Å; L187-M362 HydrophobicContact CD1-CE 4.37Å; L187-M362 HydrophobicContact CD1-SD 4.18Å; L187-M362 HydrophobicContact CD2-CE 4.28Å; L187-M362 HydrophobicContact CD2-SD 4.49Å; L187-M362 HydrophobicContact CG-SD 4.42Å; L187-I376 HydrophobicContact CD2-CG2 4.11Å
188V94.9Very high95Very high10 Ų1078.8 Ų78.86%0.06137%0.372CS..  trans-65.1136.1173.9178.20000109.7K166 K169 C172 E190 C193K166-V188 WeakPolarHBondContact O-CG1 3.4Å; K169-V188 HydrophobicContact CB-CG2 4.36Å; K169-V188 HydrophobicContact CD-CG2 4.49Å; K169-V188 HydrophobicContact CG-CG2 3.39Å; C172-V188 HydrophobicContact CB-CG1 3.86Å; V188-E190 PolarHBondContact O-N 3.46Å; V188-C193 HydrophobicContact CG1-CB 4.12Å
189R93.8Very high95.1Very high148 Ų14876.5 Ų76.556%0.55836%0.355SS*.  trans-80.2104.2176.2-74.7-168.962.2164.9-0.2111.1D191 R192 C193R189-D191 VanDerWaalsContact C-N 3.26Å; R189-D191 WeakPolarHBondContact CB-OD1 3.35Å; R189-D191 IonicContact CZ-OD2 3.7Å; R189-D191 IonicContact NE-OD1 3.72Å; R189-D191 PolarHBondContact NE-OD1 3.25Å; R189-D191 IonicContact NE-OD2 2.6Å; R189-D191 IonicContact NH2-OD1 2.93Å; R189-D191 IonicContact NH2-OD2 3.79Å; R189-D191 PolarHBondContact NH2-OD2 2.75Å; R189-D191 PolarHBondContact O-N 3.48Å; R189-R192 HydrophobicContact CB-CB 4.18Å; R189-R192 HydrophobicContact CB-CG 4.12Å; R189-R192 PolarHBondContact O-N 2.91Å; R189-R192 VanDerWaalsContact O-N 3.08Å; R189-C193 PolarHBondContact O-N 2.96Å
190E93.4Very high95.1Very high85 Ų8580.2 Ų80.240%0.39737%0.374SS..Hα-helixtrans-53.8-41.9-177.5-160.5-174.1152.700112.9K166 M167 V188 R192 C193 A194K166-E190 HydrophobicContact CB-CG 3.63Å; K166-E190 HydrophobicContact CD-CG 3.49Å; K166-E190 VanDerWaalsContact CD-CG 3.49Å; K166-E190 WeakPolarHBondContact CD-OE1 3.19Å; K166-E190 HydrophobicContact CG-CG 4.27Å; K166-E190 IonicContact NZ-OE1 2.68Å; K166-E190 PolarHBondContact NZ-OE1 2.6Å; M167-E190 HydrophobicContact CE-CB 3.45Å; M167-E190 VanDerWaalsContact CE-CB 3.45Å; M167-E190 HydrophobicContact CE-CG 3.65Å; M167-E190 VanDerWaalsContact CE-OE2 3.27Å; M167-E190 WeakPolarHBondContact CE-OE2 3.48Å; M167-E190 HydrophobicContact SD-CB 4.1Å; M167-E190 HydrophobicContact SD-CG 4.42Å; V188-E190 PolarHBondContact O-N 3.46Å; E190-R192 VanDerWaalsContact C-N 3.27Å; E190-R192 PolarHBondContact O-N 3.08Å; E190-C193 PolarHBondContact O-N 3.34Å; E190-A194 WeakPolarHBondContact O-CB 3.28Å; E190-A194 PolarHBondContact O-N 2.93Å
191D95.1Very high95.1Very high81 Ų8180 Ų8043%0.43337%0.373SS..Hα-helixtrans-63-33.7-178.560.2-47.5000112.5R189R189-D191 VanDerWaalsContact C-N 3.26Å; R189-D191 WeakPolarHBondContact CB-OD1 3.35Å; R189-D191 IonicContact CZ-OD2 3.7Å; R189-D191 IonicContact NE-OD1 3.72Å; R189-D191 PolarHBondContact NE-OD1 3.25Å; R189-D191 IonicContact NE-OD2 2.6Å; R189-D191 IonicContact NH2-OD1 2.93Å; R189-D191 IonicContact NH2-OD2 3.79Å; R189-D191 PolarHBondContact NH2-OD2 2.75Å; R189-D191 PolarHBondContact O-N 3.48Å
192R96Very high95.2Very high113 Ų11381.6 Ų81.643%0.42637%0.374SS..Hα-helixtrans-78.3-50.4174.9-66.6-171.864.5-145.1-6.8110.7A179 R189 E190 A194 K195A179-R192 HydrophobicContact CB-CB 4.19Å; A179-R192 PolarHBondContact O-NH1 3.43Å; A179-R192 PolarHBondContact O-NH2 3.45Å; R189-R192 HydrophobicContact CB-CB 4.18Å; R189-R192 HydrophobicContact CB-CG 4.12Å; R189-R192 PolarHBondContact O-N 2.91Å; R189-R192 VanDerWaalsContact O-N 3.08Å; E190-R192 VanDerWaalsContact C-N 3.27Å; E190-R192 PolarHBondContact O-N 3.08Å; R192-A194 VanDerWaalsContact C-N 3.27Å; R192-A194 PolarHBondContact O-N 3.46Å; R192-K195 WeakPolarHBondContact O-CB 3.45Å; R192-K195 PolarHBondContact O-N 3.14Å; R192-K195 VanDerWaalsContact O-N 3.09Å
193C96.5Very high95.6Very high0 Ų080.2 Ų80.20%037%0.37CS..Hα-helixtrans-66.5-29.1-177.4-170.50000112.9W165 K166 C172 A179 V188 R189 E190 K195 C196W165-C193 VanDerWaalsContact CZ3-O 3.27Å; W165-C193 WeakPolarHBondContact CZ3-O 3.22Å; K166-C193 WeakPolarHBondContact O-CB 3.36Å; C172-C193 HydrophobicContact CB-CB 3.8Å; C172-C193 WeakPolarHBondContact CB-SG 3.24Å; C172-C193 WeakPolarHBondContact SG-CB 3.32Å; C172-C193 CovalentContact SG-SG 2.02Å; C172-C193 PolarHBondContact SG-SG 2.92Å; A179-C193 HydrophobicContact CB-CB 4.16Å; V188-C193 HydrophobicContact CG1-CB 4.12Å; R189-C193 PolarHBondContact O-N 2.96Å; E190-C193 PolarHBondContact O-N 3.34Å; C193-K195 PolarHBondContact O-N 3.37Å; C193-K195 VanDerWaalsContact O-N 3.09Å; C193-C196 VanDerWaalsContact CA-SG 3.59Å; C193-C196 VanDerWaalsContact O-CB 3.23Å; C193-C196 WeakPolarHBondContact O-CB 3.45Å; C193-C196 PolarHBondContact O-N 3.33Å; C193-C196 PolarHBondContact O-SG 2.68Å
194A96.5Very high95.9Very high44 Ų4473.2 Ų73.236%0.36434%0.338SS..THydrogen-bonded Turntrans-60-21.3174.400000113.9K166 E190 R192K166-A194 HydrophobicContact CD-CB 4.07Å; E190-A194 WeakPolarHBondContact O-CB 3.28Å; E190-A194 PolarHBondContact O-N 2.93Å; R192-A194 VanDerWaalsContact C-N 3.27Å; R192-A194 PolarHBondContact O-N 3.46Å
195K96.8Very high96.1Very high178 Ų17870.4 Ų70.477%0.77433%0.325SS*.THydrogen-bonded Turntrans-87.7-8.9178.8-60.8176.1-175.6179.20113.2R192 C193R192-K195 WeakPolarHBondContact O-CB 3.45Å; R192-K195 PolarHBondContact O-N 3.14Å; R192-K195 VanDerWaalsContact O-N 3.09Å; C193-K195 PolarHBondContact O-N 3.37Å; C193-K195 VanDerWaalsContact O-N 3.09Å
196C96.6Very high96.2Very high14 Ų1475.3 Ų75.310%0.09534%0.341CS..SBendtrans-60.9146.5177.7-61.10000111.6C177 C193 K198C177-C196 HydrophobicContact CB-CB 3.65Å; C177-C196 WeakPolarHBondContact CB-SG 3.18Å; C177-C196 WeakPolarHBondContact SG-CB 3.41Å; C177-C196 CovalentContact SG-SG 2Å; C177-C196 PolarHBondContact SG-SG 3.08Å; C193-C196 VanDerWaalsContact CA-SG 3.59Å; C193-C196 VanDerWaalsContact O-CB 3.23Å; C193-C196 WeakPolarHBondContact O-CB 3.45Å; C193-C196 PolarHBondContact O-N 3.33Å; C193-C196 PolarHBondContact O-SG 2.68Å; C196-K198 PolarHBondContact O-N 3Å
197Q96.2Very high96.4Very high133 Ų13375.1 Ų75.162%0.62134%0.335SS*.PPolyproline II helixtrans-64133.6169.7-172.6178.84.300110R199Q197-R199 PolarHBondContact O-N 2.98Å
198K96.4Very high96.5Very high135 Ų13571.9 Ų71.959%0.58732%0.319SS*.PPolyproline II helixtrans-71.7118.5174.7-54.2174.1-174.2163.90108.3T158 A160 C196T158-K198 HydrophobicContact CG2-CB 4.3Å; A160-K198 HydrophobicContact CB-CB 4.45Å; A160-K198 HydrophobicContact CB-CD 3.81Å; A160-K198 HydrophobicContact CB-CG 3.86Å; C196-K198 PolarHBondContact O-N 3Å
199R96.9Very high96.7Very high70 Ų7078.2 Ų78.226%0.26435%0.345SS..PPolyproline II helixtrans-96.3160.5-175.1-61.3-61.5-167.21745111.6T158 T159 L176 Q197T158-R199 CarbonylContact C-O 2.7Å; T158-R199 WeakPolarHBondContact CA-O 3.22Å; T158-R199 VanDerWaalsContact CB-O 3.23Å; T158-R199 WeakPolarHBondContact CB-O 3.44Å; T159-R199 HydrophobicContact CG2-CB 3.86Å; T159-R199 PolarHBondContact N-O 3.14Å; T159-R199 PolarHBondContact OG1-N 2.95Å; T159-R199 VanDerWaalsContact OG1-N 3.1Å; L176-R199 HydrophobicContact CB-CG 4.47Å; L176-R199 HydrophobicContact CD2-CB 4.13Å; L176-R199 HydrophobicContact CD2-CG 4.02Å; L176-R199 PolarHBondContact O-NE 2.76Å; Q197-R199 PolarHBondContact O-N 2.98Å
200D96.5Very high96.8Very high84 Ų8477 Ų7745%0.44934%0.344SS..BIsolated β-bridgetrans-67.4143.7173.2-168.7-69.8000109.7R202 E203D200-R202 PolarHBondContact O-N 3.26Å; D200-R202 VanDerWaalsContact OD1-CB 3.28Å; D200-R202 WeakPolarHBondContact OD1-CB 3.49Å; D200-R202 VanDerWaalsContact OD1-CG 3.29Å; D200-R202 WeakPolarHBondContact OD1-CG 3.42Å; D200-R202 PolarHBondContact OD1-N 3.32Å; D200-E203 PolarHBondContact N-OE1 3.35Å; D200-E203 VanDerWaalsContact N-OE1 3.09Å; D200-E203 WeakPolarHBondContact O-CB 3.37Å; D200-E203 PolarHBondContact O-N 2.95Å
201L96.7Very high97Very high8 Ų873.4 Ų73.44%0.04233%0.327CS..Hα-helixtrans-62-26.2178.7-68.3-177.5000112.6F145 I157 T158 I162 E203 L204 E205F145-L201 HydrophobicContact CB-CB 4.27Å; F145-L201 HydrophobicContact CB-CD1 4.19Å; I157-L201 HydrophobicContact CB-CD1 4.25Å; I157-L201 HydrophobicContact CD1-CD1 3.3Å; I157-L201 HydrophobicContact CG1-CD1 3.52Å; I157-L201 HydrophobicContact CG1-CG 4.45Å; T158-L201 WeakPolarHBondContact O-CD2 3.47Å; I162-L201 HydrophobicContact CD1-CD2 3.98Å; I162-L201 HydrophobicContact CG1-CD2 4.15Å; L201-E203 PolarHBondContact O-N 3.18Å; L201-L204 HydrophobicContact CD2-CD2 4.28Å; L201-L204 CarbonylContact O-C 3.55Å; L201-L204 WeakPolarHBondContact O-CA 3.32Å; L201-L204 WeakPolarHBondContact O-CB 3.32Å; L201-L204 PolarHBondContact O-N 3.28Å; L201-E205 VanDerWaalsContact O-CG 3.3Å; L201-E205 WeakPolarHBondContact O-CG 3.4Å; L201-E205 PolarHBondContact O-N 2.99Å
202R97.1Very high97.1Very high173 Ų17372.4 Ų72.465%0.65333%0.325SS*.Hα-helixtrans-62.5-27.6173.4-65.6179.2-175.7-171.62.9113D200 R206D200-R202 PolarHBondContact O-N 3.26Å; D200-R202 VanDerWaalsContact OD1-CB 3.28Å; D200-R202 WeakPolarHBondContact OD1-CB 3.49Å; D200-R202 VanDerWaalsContact OD1-CG 3.29Å; D200-R202 WeakPolarHBondContact OD1-CG 3.42Å; D200-R202 PolarHBondContact OD1-N 3.32Å; R202-R206 WeakPolarHBondContact O-CG 3.02Å; R202-R206 PolarHBondContact O-N 3.13Å; R202-R206 PolarHBondContact O-NE 3.48Å
203E98Very high97.2Very high47 Ų4767.3 Ų67.322%0.2231%0.306CS..Hα-helixtrans-69.3-44.6171.3-67174.3-97.900110.2L176 D200 L201 E205 R206 E207L176-E203 HydrophobicContact CD2-CB 3.66Å; D200-E203 PolarHBondContact N-OE1 3.35Å; D200-E203 VanDerWaalsContact N-OE1 3.09Å; D200-E203 WeakPolarHBondContact O-CB 3.37Å; D200-E203 PolarHBondContact O-N 2.95Å; L201-E203 PolarHBondContact O-N 3.18Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 3.35Å; E203-R206 WeakPolarHBondContact O-CB 3.46Å; E203-R206 PolarHBondContact O-N 3.39Å; E203-E207 PolarHBondContact O-N 3.06Å
204L97.9Very high97.2Very high0 Ų067.3 Ų67.30%031%0.306CS..Hα-helixtrans-64.2-37.9176-175.663.1000112.4F108 F145 T159 I162 V170 I171 L176 L201 R206 E207 C208F108-L204 HydrophobicContact CE2-CD1 3.69Å; F108-L204 HydrophobicContact CE2-CG 4.33Å; F108-L204 HydrophobicContact CZ-CD1 3.69Å; F108-L204 HydrophobicContact CZ-CD2 4.44Å; F108-L204 HydrophobicContact CZ-CG 3.97Å; F145-L204 HydrophobicContact CD1-CD2 4.14Å; F145-L204 HydrophobicContact CE1-CD2 3.81Å; F145-L204 HydrophobicContact CE1-CG 4.5Å; F145-L204 HydrophobicContact CZ-CD2 4.19Å; F145-L204 HydrophobicContact CZ-CG 4.41Å; T159-L204 HydrophobicContact CG2-CB 4.19Å; T159-L204 HydrophobicContact CG2-CD2 4.41Å; I162-L204 HydrophobicContact CD1-CD2 4.24Å; I162-L204 HydrophobicContact CG1-CD2 3.88Å; V170-L204 HydrophobicContact CG1-CD1 4.39Å; I171-L204 HydrophobicContact CD1-CD2 4.18Å; I171-L204 HydrophobicContact CG1-CD1 3.84Å; I171-L204 HydrophobicContact CG1-CD2 4.35Å; L176-L204 HydrophobicContact CD1-CD1 3.71Å; L201-L204 HydrophobicContact CD2-CD2 4.28Å; L201-L204 CarbonylContact O-C 3.55Å; L201-L204 WeakPolarHBondContact O-CA 3.32Å; L201-L204 WeakPolarHBondContact O-CB 3.32Å; L201-L204 PolarHBondContact O-N 3.28Å; L204-R206 VanDerWaalsContact C-N 3.33Å; L204-R206 PolarHBondContact O-N 3.09Å; L204-E207 PolarHBondContact O-N 3.28Å; L204-C208 VanDerWaalsContact O-CB 3.27Å; L204-C208 WeakPolarHBondContact O-CB 3.48Å; L204-C208 PolarHBondContact O-N 2.94Å
205E98.4Very high97.3Very high32 Ų3265.2 Ų65.215%0.1529%0.289CS..Hα-helixtrans-61.4-41.4174.8-70.9176.2168.200111.8C143 F145 L201 E203 C208 K209C143-E205 VanDerWaalsContact O-CG 3.26Å; C143-E205 WeakPolarHBondContact O-CG 3.32Å; F145-E205 HydrophobicContact CB-CG 4.11Å; F145-E205 HydrophobicContact CD2-CG 3.67Å; F145-E205 HydrophobicContact CG-CG 4.26Å; F145-E205 PolarHBondContact N-OE1 3.03Å; L201-E205 VanDerWaalsContact O-CG 3.3Å; L201-E205 WeakPolarHBondContact O-CG 3.4Å; L201-E205 PolarHBondContact O-N 2.99Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 3.35Å; E205-C208 PolarHBondContact O-N 3.43Å; E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.3Å; E205-K209 VanDerWaalsContact O-N 3.15Å
206R98.3Very high97.4Very high143 Ų14356.8 Ų56.854%0.5425%0.252SS..Hα-helixtrans-63.6-42.7174.8-79.3-178.2-81.3133.2-17.8111.6R202 E203 L204R202-R206 WeakPolarHBondContact O-CG 3.02Å; R202-R206 PolarHBondContact O-N 3.13Å; R202-R206 PolarHBondContact O-NE 3.48Å; E203-R206 WeakPolarHBondContact O-CB 3.46Å; E203-R206 PolarHBondContact O-N 3.39Å; L204-R206 VanDerWaalsContact C-N 3.33Å; L204-R206 PolarHBondContact O-N 3.09Å
207E97.6Very high97.5Very high12 Ų1256.1 Ų56.16%0.05625%0.248CC..Hα-helixtrans-65.6-45.7174-66.1-45119.200111.5V170 P175 L176 E203 L204 K209 K210 Y211V170-E207 HydrophobicContact CG1-CB 4.16Å; P175-E207 VanDerWaalsContact CD-CD 3.46Å; P175-E207 HydrophobicContact CG-CG 4.14Å; P175-E207 VanDerWaalsContact CG-OE1 3.31Å; P175-E207 WeakPolarHBondContact CG-OE1 3.48Å; L176-E207 HydrophobicContact CD1-CG 4.18Å; L176-E207 HydrophobicContact CG-CG 4.2Å; E203-E207 PolarHBondContact O-N 3.06Å; L204-E207 PolarHBondContact O-N 3.28Å; E207-K209 PolarHBondContact O-N 3.21Å; E207-K209 VanDerWaalsContact O-N 3.17Å; E207-K210 WeakPolarHBondContact O-CB 3.33Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-K210 WeakPolarHBondContact OE1-CE 3.37Å; E207-K210 IonicContact OE1-NZ 3.85Å; E207-K210 PolarHBondContact OE1-NZ 2.96Å; E207-K210 WeakPolarHBondContact OE2-CD 3.13Å; E207-K210 IonicContact OE2-NZ 3.3Å; E207-K210 PolarHBondContact OE2-NZ 2.98Å; E207-Y211 WeakPolarHBondContact O-CD2 3.28Å; E207-Y211 WeakPolarHBondContact O-CE2 3.39Å
208C98.1Very high97.6Very high0 Ų049.8 Ų49.80%022%0.218CC..Hα-helixtrans-52.4-41179.5178.10000112.4R81 F108 C143 F145 L204 E205 K210 Y211R81-C208 PolarHBondContact NH1-O 3.27Å; R81-C208 PolarHBondContact NH2-O 2.78Å; F108-C208 HydrophobicContact CD1-CB 4.46Å; F108-C208 HydrophobicContact CD2-CB 3.9Å; F108-C208 HydrophobicContact CE1-CB 4.22Å; F108-C208 HydrophobicContact CE2-CB 3.59Å; F108-C208 HydrophobicContact CG-CB 4.3Å; F108-C208 HydrophobicContact CZ-CB 3.77Å; C143-C208 HydrophobicContact CB-CB 3.68Å; C143-C208 WeakPolarHBondContact CB-SG 3.49Å; C143-C208 WeakPolarHBondContact SG-CB 3.47Å; C143-C208 CovalentContact SG-SG 2.03Å; C143-C208 PolarHBondContact SG-SG 2.78Å; F145-C208 HydrophobicContact CE2-CB 4.18Å; L204-C208 VanDerWaalsContact O-CB 3.27Å; L204-C208 WeakPolarHBondContact O-CB 3.48Å; L204-C208 PolarHBondContact O-N 2.94Å; E205-C208 PolarHBondContact O-N 3.43Å; C208-K210 PolarHBondContact O-N 3.38Å; C208-Y211 PolarHBondContact O-N 2.87Å
209K97.3Very high97.6Very high142 Ų14243.5 Ų43.562%0.61719%0.191SC*.THydrogen-bonded Turntrans-66.7-17.2-179.9-71.8171.5-176.4177.10114.5C143 E205 E207C143-K209 HydrophobicContact CB-CG 3.98Å; E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.3Å; E205-K209 VanDerWaalsContact O-N 3.15Å; E207-K209 PolarHBondContact O-N 3.21Å; E207-K209 VanDerWaalsContact O-N 3.17Å
210K96.8Very high97.5Very high123 Ų12340.4 Ų40.454%0.53518%0.179SC..THydrogen-bonded Turntrans-81.9-17179.6-59.2175.4-172.71710113.6E207 C208E207-K210 WeakPolarHBondContact O-CB 3.33Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-K210 WeakPolarHBondContact OE1-CE 3.37Å; E207-K210 IonicContact OE1-NZ 3.85Å; E207-K210 PolarHBondContact OE1-NZ 2.96Å; E207-K210 WeakPolarHBondContact OE2-CD 3.13Å; E207-K210 IonicContact OE2-NZ 3.3Å; E207-K210 PolarHBondContact OE2-NZ 2.98Å; C208-K210 PolarHBondContact O-N 3.38Å
211Y96.8Very high97.4Very high9 Ų936.5 Ų36.54%0.03516%0.158CC..  trans-90.5129.4-174.4-71.2-103.2000110.8R81 P105 F108 V170 R182 E207 C208 V213R81-Y211 VanDerWaalsContact CZ-O 3.26Å; R81-Y211 PolarHBondContact NE-O 2.83Å; R81-Y211 PolarHBondContact NH2-O 3.2Å; P105-Y211 VanDerWaalsContact O-CE1 3.3Å; P105-Y211 WeakPolarHBondContact O-CE1 3.36Å; F108-Y211 HydrophobicContact CB-CD1 4.17Å; F108-Y211 HydrophobicContact CB-CD2 4.04Å; F108-Y211 HydrophobicContact CB-CG 3.72Å; F108-Y211 AromaticContact CD2-CD2 3.93Å; F108-Y211 HydrophobicContact CD2-CD2 3.93Å; F108-Y211 HydrophobicContact CD2-CE2 4.14Å; F108-Y211 HydrophobicContact CD2-CG 4.47Å; F108-Y211 HydrophobicContact CG-CD2 4.48Å; V170-Y211 HydrophobicContact CG1-CE2 4.06Å; V170-Y211 HydrophobicContact CG2-CE1 4.13Å; V170-Y211 HydrophobicContact CG2-CE2 4.23Å; R182-Y211 PolarHBondContact NE-OH 2.82Å; R182-Y211 VanDerWaalsContact NH2-CE1 3.28Å; E207-Y211 WeakPolarHBondContact O-CD2 3.28Å; E207-Y211 WeakPolarHBondContact O-CE2 3.39Å; C208-Y211 PolarHBondContact O-N 2.87Å; Y211-V213 PolarHBondContact O-N 3.27Å
212P96.9Very high97Very high61 Ų6136.9 Ų36.940%0.39616%0.161SC..SBendtrans-73.4-16.9179.431.5-37.5000112.9R81 T82 D106R81-P212 WeakPolarHBondContact CA-O 2.98Å; R81-P212 VanDerWaalsContact CG-O 3.24Å; R81-P212 WeakPolarHBondContact CG-O 3.13Å; T82-P212 PolarHBondContact N-O 3.25Å; D106-P212 HydrophobicContact CB-CG 3.78Å; D106-P212 WeakPolarHBondContact O-CD 3.44Å
213V98Very high96.7Very high6 Ų631 Ų314%0.03614%0.142CC..EExtended strand (participates in β ladder)trans-126132.4177.6-174.60000110.7T82 I84 D106 V107 F108 Y211 V215 L349T82-V213 CarbonylContact O-C 3.52Å; T82-V213 WeakPolarHBondContact O-CA 3.44Å; I84-V213 HydrophobicContact CD1-CG1 3.63Å; I84-V213 HydrophobicContact CG1-CG1 4.36Å; D106-V213 PolarHBondContact O-N 2.94Å; V107-V213 HydrophobicContact CG2-CB 4.11Å; V107-V213 HydrophobicContact CG2-CG1 4.12Å; F108-V213 PolarHBondContact N-O 2.85Å; Y211-V213 PolarHBondContact O-N 3.27Å; V213-V215 HydrophobicContact CG1-CG2 4.09Å; V213-L349 HydrophobicContact CB-CD2 4.34Å; V213-L349 HydrophobicContact CG2-CD2 3.61Å; V213-L349 HydrophobicContact CG2-CG 4.31Å
214M98.1Very high96.5Very high0 Ų029.1 Ų29.10%013%0.134CC..EExtended strand (participates in β ladder)trans-116.7125.8171.4-170.1159.6-166.800110.5T82 H83 I84 F108 L110 L140 Y141 F145T82-M214 PolarHBondContact O-N 3.21Å; H83-M214 CarbonylContact C-O 3.55Å; H83-M214 WeakPolarHBondContact CA-O 3.5Å; I84-M214 PolarHBondContact N-O 3.04Å; F108-M214 HydrophobicContact CD1-CE 3.79Å; F108-M214 HydrophobicContact CD1-CG 4.33Å; F108-M214 HydrophobicContact CE1-CE 3.88Å; F108-M214 WeakPolarHBondContact O-CA 3.38Å; L110-M214 HydrophobicContact CD1-CE 3.55Å; L110-M214 HydrophobicContact CG-CE 4.2Å; L140-M214 WeakPolarHBondContact O-CE 3.45Å; Y141-M214 HydrophobicContact CD1-CB 4.46Å; Y141-M214 HydrophobicContact CD1-CG 4.2Å; Y141-M214 HydrophobicContact CD1-SD 4.22Å; F145-M214 HydrophobicContact CZ-CE 4.36Å
215V98.8Very high96.3Very high0 Ų030.4 Ų30.40%014%0.143CC..EExtended strand (participates in β ladder)trans-117.9120.4179.8-179.80000109I84 L86 F101 V107 F108 Y109 L110 V213I84-V215 HydrophobicContact CB-CG2 4.01Å; I84-V215 HydrophobicContact CD1-CG2 3.94Å; I84-V215 HydrophobicContact CG1-CG2 4.45Å; I84-V215 HydrophobicContact CG2-CG1 4.45Å; I84-V215 CarbonylContact O-C 3.53Å; I84-V215 WeakPolarHBondContact O-CA 3.36Å; L86-V215 HydrophobicContact CD1-CG1 3.73Å; L86-V215 HydrophobicContact CD2-CG1 4.17Å; L86-V215 HydrophobicContact CG-CG1 3.74Å; F101-V215 HydrophobicContact CB-CB 4.39Å; F101-V215 HydrophobicContact CB-CG1 4.09Å; F101-V215 HydrophobicContact CB-CG2 4.09Å; F101-V215 HydrophobicContact CD1-CG2 3.7Å; F101-V215 HydrophobicContact CD2-CG1 4.36Å; F101-V215 HydrophobicContact CE1-CG2 4.34Å; F101-V215 HydrophobicContact CG-CG1 4.11Å; F101-V215 HydrophobicContact CG-CG2 3.98Å; V107-V215 HydrophobicContact CG1-CB 3.98Å; V107-V215 HydrophobicContact CG1-CG2 3.52Å; V107-V215 HydrophobicContact CG2-CG2 4.5Å; F108-V215 PolarHBondContact O-N 2.9Å; Y109-V215 CarbonylContact C-O 2.96Å; Y109-V215 WeakPolarHBondContact CA-O 3.42Å; Y109-V215 HydrophobicContact CD2-CB 4.03Å; Y109-V215 HydrophobicContact CD2-CG1 3.85Å; Y109-V215 HydrophobicContact CE2-CG1 4.17Å; L110-V215 PolarHBondContact N-O 2.76Å; V213-V215 HydrophobicContact CG1-CG2 4.09Å
216I98.8Very high96Very high0 Ų029.7 Ų29.70%014%0.14CC..EExtended strand (participates in β ladder)trans-108.9119171.1-59.8-176.3000108.1I84 Y85 L86 L110 P113 M114 L140 Y141I84-I216 PolarHBondContact O-N 2.86Å; Y85-I216 WeakPolarHBondContact CA-O 3.23Å; Y85-I216 HydrophobicContact CD2-CB 4.34Å; Y85-I216 HydrophobicContact CD2-CG2 4.29Å; Y85-I216 WeakPolarHBondContact CD2-O 3.26Å; Y85-I216 HydrophobicContact CE2-CG2 4.31Å; L86-I216 PolarHBondContact N-O 2.92Å; L110-I216 HydrophobicContact CB-CG1 4.28Å; L110-I216 HydrophobicContact CD1-CD1 4.35Å; L110-I216 HydrophobicContact CD1-CG1 4.24Å; P113-I216 HydrophobicContact CG-CG2 3.7Å; M114-I216 HydrophobicContact CE-CG2 4.45Å; M114-I216 HydrophobicContact SD-CG2 4.47Å; L140-I216 HydrophobicContact CB-CD1 3.83Å; L140-I216 HydrophobicContact CD1-CD1 4.37Å; Y141-I216 HydrophobicContact CD1-CD1 3.87Å; Y141-I216 HydrophobicContact CD1-CG1 4.3Å; Y141-I216 HydrophobicContact CE1-CB 4.27Å; Y141-I216 HydrophobicContact CE1-CD1 3.59Å; Y141-I216 HydrophobicContact CE1-CG1 3.7Å; Y141-I216 HydrophobicContact CE2-CD1 4.3Å; Y141-I216 HydrophobicContact CG-CD1 4.35Å
217K98.5Very high95.9Very high1 Ų122.9 Ų22.90%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-88.2128.2171.7-175.8-98.8177.7154.80110.2L86 S94 S95 Y109 L110 Y111 E112L86-K217 HydrophobicContact CB-CB 4.36Å; L86-K217 HydrophobicContact CB-CG 4.28Å; L86-K217 HydrophobicContact CD1-CB 4.1Å; L86-K217 HydrophobicContact CD1-CG 4.24Å; S94-K217 VanDerWaalsContact CB-CE 3.43Å; S94-K217 WeakPolarHBondContact OG-CE 3.37Å; S94-K217 PolarHBondContact OG-NZ 2.93Å; S95-K217 PolarHBondContact OG-NZ 2.88Å; Y109-K217 HydrophobicContact CE2-CB 3.76Å; Y109-K217 WeakPolarHBondContact OH-CB 3.47Å; L110-K217 PolarHBondContact O-N 3.38Å; Y111-K217 HydrophobicContact CD2-CD 4.5Å; Y111-K217 HydrophobicContact CE2-CD 4.33Å; Y111-K217 PolarHBondContact OH-NZ 3.39Å; E112-K217 WeakPolarHBondContact CA-O 3.36Å; E112-K217 HydrophobicContact CG-CD 3.52Å; E112-K217 PolarHBondContact N-O 2.86Å; E112-K217 IonicContact OE1-NZ 3.45Å; E112-K217 PolarHBondContact OE1-NZ 3.32Å
218G97.3Very high95.7Very high0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans-132.6148.4-18000000113.8Y85 L86 A88Y85-G218 WeakPolarHBondContact OH-CA 3.48Å; L86-G218 PolarHBondContact O-N 2.95Å; L86-G218 VanDerWaalsContact O-O 3.14Å; A88-G218 PolarHBondContact N-O 3.13Å
219V96.8Very high95.6Very high2 Ų225.6 Ų25.61%0.01213%0.133CC..SBendtrans-128.97.9172.4-610000112.9A88 W90 E112A88-V219 HydrophobicContact CB-CG1 4.35Å; A88-V219 VanDerWaalsContact O-CA 3.29Å; A88-V219 WeakPolarHBondContact O-CA 3.4Å; W90-V219 HydrophobicContact CD2-CB 4.2Å; W90-V219 HydrophobicContact CD2-CG2 4Å; W90-V219 HydrophobicContact CG-CB 4.41Å; W90-V219 HydrophobicContact CG-CG2 4.2Å; W90-V219 WeakPolarHBondContact CH2-O 3.28Å; W90-V219 HydrophobicContact CZ2-CG2 3.98Å; W90-V219 WeakPolarHBondContact CZ3-O 3.44Å; E112-V219 HydrophobicContact CG-CG2 4.23Å; E112-V219 WeakPolarHBondContact OE2-CG2 3.45Å
220R95.6Very high95.5Very high5 Ų519 Ų192%0.01911%0.105CC..  trans-122.60.7-164.9-79.6174.9-176.285.614.9113.7W90 E112 M114 W115 W118 Q130 E264W90-R220 HydrophobicContact CH2-CG 3.84Å; W90-R220 HydrophobicContact CZ2-CG 3.55Å; E112-R220 IonicContact OE2-CZ 2.76Å; E112-R220 IonicContact OE2-NH1 3.84Å; E112-R220 PolarHBondContact OE2-NH1 2.79Å; E112-R220 IonicContact OE2-NH2 3.51Å; M114-R220 HydrophobicContact CB-CB 4.18Å; M114-R220 WeakPolarHBondContact O-CD 3.43Å; W115-R220 VanDerWaalsContact CD1-NH2 3.3Å; W118-R220 VanDerWaalsContact CD1-CD 3.49Å; W118-R220 HydrophobicContact CD2-CB 4.35Å; W118-R220 HydrophobicContact CD2-CG 3.8Å; W118-R220 HydrophobicContact CE3-CG 4.42Å; W118-R220 HydrophobicContact CG-CB 4.44Å; W118-R220 VanDerWaalsContact CG-CD 3.43Å; W118-R220 HydrophobicContact CG-CG 3.92Å; W118-R220 HydrophobicContact CZ2-CB 4.11Å; W118-R220 HydrophobicContact CZ2-CG 4.15Å; Q130-R220 PolarHBondContact NE2-O 2.87Å; R220-E264 IonicContact NH2-OE1 2.91Å
221V94.5Very high95.4Very high2 Ų214.1 Ų14.11%0.0128%0.084CC..  trans-87.5119.3161.9173.10000105.2Y85 H87 V133 M137 D223 L227Y85-V221 HydrophobicContact CE1-CB 4.25Å; Y85-V221 HydrophobicContact CE1-CG2 4.23Å; Y85-V221 WeakPolarHBondContact OH-CB 3.41Å; Y85-V221 WeakPolarHBondContact OH-CG2 3.41Å; H87-V221 PolarHBondContact CE1-O 3.37Å; H87-V221 VanDerWaalsContact CE1-O 3.26Å; V133-V221 HydrophobicContact CG1-CG2 3.47Å; V133-V221 VanDerWaalsContact CG1-CG2 3.47Å; M137-V221 HydrophobicContact CE-CG2 3.93Å; M137-V221 HydrophobicContact SD-CG2 4.27Å; V221-D223 WeakPolarHBondContact CG1-O 3.42Å; V221-L227 HydrophobicContact CG1-CD2 4.5Å; V221-L227 HydrophobicContact CG1-CG 4.36Å; V221-L227 HydrophobicContact CG2-CD2 4.35Å
222L88.2Confident95.3Very high17 Ų1718.4 Ų18.49%0.08910%0.1CC..  trans-91.4-41.7178.2-70.3-168.4000111.3A126 V268 N305A126-L222 HydrophobicContact CB-CD1 3.26Å; A126-L222 HydrophobicContact CB-CG 3.98Å; L222-V268 HydrophobicContact CD1-CG1 4.38Å; L222-V268 HydrophobicContact CD1-CG2 4.34Å; L222-V268 HydrophobicContact CD2-CG2 4.33Å; L222-N305 WeakPolarHBondContact O-CB 3.19Å
223D90.5Very high95.2Very high50 Ų5017.3 Ų17.327%0.2679%0.091SC..  trans-109.8118.5-178.61783.1000109.4V221 S225 T226V221-D223 WeakPolarHBondContact CG1-O 3.42Å; D223-S225 PolarHBondContact O-N 3.37Å; D223-S225 WeakPolarHBondContact OD1-CB 3.4Å; D223-S225 PolarHBondContact OD1-N 3.35Å; D223-S225 PolarHBondContact OD1-OG 3.14Å; D223-S225 VanDerWaalsContact OD1-OG 3.12Å; D223-S225 PolarHBondContact OD2-OG 3.46Å; D223-T226 WeakPolarHBondContact O-CB 3.47Å; D223-T226 PolarHBondContact O-N 3.22Å; D223-T226 VanDerWaalsContact O-N 3.09Å; D223-T226 PolarHBondContact O-OG1 3.48Å
224L93.8Very high95Very high7 Ų723.5 Ų23.54%0.03713%0.131CC..G310 helixtrans-57.4-25.7177.6-177.666.5000112.6T226 L227 I240 D309 L312 V313 Y324L224-T226 PolarHBondContact O-N 2.88Å; L224-T226 VanDerWaalsContact O-N 3.09Å; L224-L227 HydrophobicContact CD1-CD1 3.91Å; L224-L227 WeakPolarHBondContact O-CB 3.34Å; L224-L227 PolarHBondContact O-N 3.3Å; L224-I240 HydrophobicContact CD1-CD1 3.86Å; L224-I240 HydrophobicContact CD1-CG2 3.97Å; L224-D309 HydrophobicContact CB-CB 4.02Å; L224-D309 VanDerWaalsContact CB-CG 3.46Å; L224-D309 WeakPolarHBondContact CB-OD1 3.35Å; L224-D309 HydrophobicContact CD2-CB 4.21Å; L224-D309 PolarHBondContact N-OD1 3.26Å; L224-L312 HydrophobicContact CB-CD2 4.02Å; L224-L312 HydrophobicContact CD2-CD2 4.2Å; L224-L312 HydrophobicContact CG-CD2 4.06Å; L224-V313 HydrophobicContact CD2-CG2 3.46Å; L224-V313 VanDerWaalsContact CD2-CG2 3.46Å; L224-Y324 HydrophobicContact CD2-CD2 4.41Å; L224-Y324 HydrophobicContact CD2-CE2 4.04Å
225S92.5Very high94.8Very high27 Ų2726.1 Ų26.119%0.18915%0.153CC..G310 helixtrans-56.1-28176.183.30000112.4D223 L227 V228D223-S225 PolarHBondContact O-N 3.37Å; D223-S225 WeakPolarHBondContact OD1-CB 3.4Å; D223-S225 PolarHBondContact OD1-N 3.35Å; D223-S225 PolarHBondContact OD1-OG 3.14Å; D223-S225 VanDerWaalsContact OD1-OG 3.12Å; D223-S225 PolarHBondContact OD2-OG 3.46Å; S225-L227 PolarHBondContact O-N 2.96Å; S225-L227 VanDerWaalsContact O-N 3.14Å; S225-V228 WeakPolarHBondContact O-CB 3.32Å; S225-V228 PolarHBondContact O-N 3.09Å; S225-V228 VanDerWaalsContact O-N 3.08Å
226T93.4Very high94.6Very high16 Ų1626.2 Ų26.210%0.09815%0.153CC..G310 helixtrans-57.2-28.4175.3-54.10000112.7Q130 R134 D223 L224Q130-T226 HydrophobicContact CB-CG2 3.91Å; Q130-T226 WeakPolarHBondContact O-CG2 3.5Å; Q130-T226 PolarHBondContact OE1-OG1 3.45Å; R134-T226 HydrophobicContact CB-CG2 4.02Å; D223-T226 WeakPolarHBondContact O-CB 3.47Å; D223-T226 PolarHBondContact O-N 3.22Å; D223-T226 VanDerWaalsContact O-N 3.09Å; D223-T226 PolarHBondContact O-OG1 3.48Å; L224-T226 PolarHBondContact O-N 2.88Å; L224-T226 VanDerWaalsContact O-N 3.09Å
227L95.6Very high94.5Very high1 Ų128.7 Ų28.71%0.00517%0.167CC..G310 helixtrans-88.3-16.6-178.5-55.9-174.5000113.2Y85 M137 V221 L224 S225 L230 M231 L238 I240Y85-L227 HydrophobicContact CD1-CD1 3.25Å; Y85-L227 HydrophobicContact CE1-CD1 3.67Å; Y85-L227 HydrophobicContact CG-CD1 3.92Å; M137-L227 HydrophobicContact CE-CD2 3.21Å; M137-L227 HydrophobicContact SD-CD2 3.69Å; V221-L227 HydrophobicContact CG1-CD2 4.5Å; V221-L227 HydrophobicContact CG1-CG 4.36Å; V221-L227 HydrophobicContact CG2-CD2 4.35Å; L224-L227 HydrophobicContact CD1-CD1 3.91Å; L224-L227 WeakPolarHBondContact O-CB 3.34Å; L224-L227 PolarHBondContact O-N 3.3Å; S225-L227 PolarHBondContact O-N 2.96Å; S225-L227 VanDerWaalsContact O-N 3.14Å; L227-L230 HydrophobicContact CD2-CD1 4.22Å; L227-L230 WeakPolarHBondContact O-CA 3.45Å; L227-L230 WeakPolarHBondContact O-CB 3.46Å; L227-L230 PolarHBondContact O-N 2.92Å; L227-M231 WeakPolarHBondContact O-CG 3.48Å; L227-M231 PolarHBondContact O-N 3.33Å; L227-L238 HydrophobicContact CB-CD2 4.49Å; L227-I240 HydrophobicContact CB-CD1 3.97Å; L227-I240 HydrophobicContact CD1-CD1 3.82Å; L227-I240 HydrophobicContact CD1-CG1 4.21Å
228V93.7Very high94.5Very high5 Ų528.9 Ų28.93%0.0317%0.168CC..Hα-helixtrans-55.6-42.5-177173.70000112.9W57 S225 L230 M231 R232 L312W57-V228 HydrophobicContact CE3-CG1 4.3Å; W57-V228 HydrophobicContact CH2-CG1 4.2Å; W57-V228 HydrophobicContact CH2-CG2 3.69Å; W57-V228 HydrophobicContact CZ3-CB 4.47Å; W57-V228 HydrophobicContact CZ3-CG1 3.62Å; W57-V228 HydrophobicContact CZ3-CG2 4Å; S225-V228 WeakPolarHBondContact O-CB 3.32Å; S225-V228 PolarHBondContact O-N 3.09Å; S225-V228 VanDerWaalsContact O-N 3.08Å; V228-L230 VanDerWaalsContact C-N 3.27Å; V228-L230 PolarHBondContact O-N 2.93Å; V228-M231 PolarHBondContact O-N 3.49Å; V228-R232 PolarHBondContact O-N 3.49Å; V228-R232 VanDerWaalsContact O-N 3.13Å; V228-L312 HydrophobicContact CG2-CD2 4.46Å
229P95Very high94.5Very high63 Ų6329.3 Ų29.341%0.40917%0.17SC..Hα-helixtrans-59.8-36.1174.8-25.235.9000113.4R232 D233P229-R232 PolarHBondContact O-N 3.11Å; P229-D233 PolarHBondContact O-N 3.44Å
230L96.2Very high94.6Very high5 Ų529.3 Ų29.33%0.02617%0.17CC..Hα-helixtrans-71.7-34.1177.5-58.4175.8000111.6R134 M137 N138 Y141 L227 V228 R232 D233 I236 L238R134-L230 HydrophobicContact CG-CD1 4.49Å; R134-L230 HydrophobicContact CG-CD2 4.29Å; R134-L230 HydrophobicContact CG-CG 4.23Å; M137-L230 HydrophobicContact CB-CD1 3.68Å; M137-L230 HydrophobicContact CE-CD1 4.06Å; M137-L230 HydrophobicContact SD-CD1 4.5Å; N138-L230 HydrophobicContact CB-CD2 3.72Å; Y141-L230 HydrophobicContact CE2-CD1 4.47Å; L227-L230 HydrophobicContact CD2-CD1 4.22Å; L227-L230 WeakPolarHBondContact O-CA 3.45Å; L227-L230 WeakPolarHBondContact O-CB 3.46Å; L227-L230 PolarHBondContact O-N 2.92Å; V228-L230 VanDerWaalsContact C-N 3.27Å; V228-L230 PolarHBondContact O-N 2.93Å; L230-R232 PolarHBondContact O-N 3.32Å; L230-D233 PolarHBondContact O-N 2.86Å; L230-I236 HydrophobicContact CD2-CD1 4.17Å; L230-L238 HydrophobicContact CB-CD2 3.7Å
231M95.4Very high94.8Very high20 Ų2029.1 Ų29.110%0.09917%0.169CC..Hα-helixtrans-69.8-22.4175-57.7-178.674.400113.2L227 V228 L238 I240 W319 V320 N323L227-M231 WeakPolarHBondContact O-CG 3.48Å; L227-M231 PolarHBondContact O-N 3.33Å; V228-M231 PolarHBondContact O-N 3.49Å; M231-L238 HydrophobicContact CG-CB 4.37Å; M231-L238 HydrophobicContact CG-CD2 3.83Å; M231-L238 HydrophobicContact CG-CG 4.27Å; M231-I240 HydrophobicContact CE-CD1 4.12Å; M231-I240 HydrophobicContact CG-CD1 4.02Å; M231-I240 HydrophobicContact SD-CD1 3.42Å; M231-I240 WeakPolarHBondContact SD-CD1 3.16Å; M231-I240 HydrophobicContact SD-CG1 4.49Å; M231-W319 HydrophobicContact CB-CH2 4.31Å; M231-W319 HydrophobicContact CB-CZ3 3.84Å; M231-W319 HydrophobicContact CE-CZ3 4.46Å; M231-V320 HydrophobicContact CE-CB 4.32Å; M231-V320 HydrophobicContact CE-CG1 3.87Å; M231-V320 HydrophobicContact CE-CG2 4.49Å; M231-V320 HydrophobicContact SD-CG1 4.29Å; M231-N323 HydrophobicContact CE-CB 3.94Å
232R93.9Very high95Very high98 Ų9829 Ų2937%0.3717%0.168SC..Hα-helixtrans-86-18.2176-75.5-178.8163.2146.9-3.4113.5L56 W57 V228 P229 L230 P234 W319L56-R232 PolarHBondContact O-NH1 3.03Å; L56-R232 PolarHBondContact O-NH2 3.11Å; W57-R232 VanDerWaalsContact C-NH2 3.34Å; W57-R232 VanDerWaalsContact CA-NH2 3.31Å; W57-R232 PolarHBondContact O-NH2 3.37Å; V228-R232 PolarHBondContact O-N 3.49Å; V228-R232 VanDerWaalsContact O-N 3.13Å; P229-R232 PolarHBondContact O-N 3.11Å; L230-R232 PolarHBondContact O-N 3.32Å; R232-P234 WeakPolarHBondContact O-CD 3.34Å; R232-W319 HydrophobicContact CG-CH2 3.8Å; R232-W319 HydrophobicContact CG-CZ2 4.3Å
233D95.1Very high95.5Very high38 Ų3828.3 Ų28.320%0.20316%0.164CC..  trans-70117.3-179-174.9-23000109.8R142 P229 L230 A235 I236R142-D233 IonicContact CZ-OD2 2.86Å; R142-D233 IonicContact NH2-OD1 3.82Å; R142-D233 PolarHBondContact NH2-OD1 2.84Å; R142-D233 IonicContact NH2-OD2 2.63Å; R142-D233 PolarHBondContact NH2-OD2 2.87Å; P229-D233 PolarHBondContact O-N 3.44Å; L230-D233 PolarHBondContact O-N 2.86Å; D233-A235 PolarHBondContact O-N 3.08Å; D233-A235 VanDerWaalsContact O-N 3.14Å; D233-A235 WeakPolarHBondContact OD1-CB 3.48Å; D233-A235 PolarHBondContact OD1-N 3.16Å; D233-I236 HydrophobicContact CB-CB 4.27Å; D233-I236 HydrophobicContact CB-CD1 4.41Å; D233-I236 HydrophobicContact CB-CG1 4.28Å; D233-I236 CarbonylContact O-C 3.53Å; D233-I236 PolarHBondContact O-N 3.3Å; D233-I236 VanDerWaalsContact O-O 3.14Å
234P92.7Very high95.8Very high136 Ų13625.9 Ų25.988%0.88315%0.152SC*.THydrogen-bonded Turntrans-65.5-18.4-177.427.8-35.8000113.4R232R232-P234 WeakPolarHBondContact O-CD 3.34Å
235A93.6Very high96Very high55 Ų5526.2 Ų26.246%0.45515%0.152SC..THydrogen-bonded Turntrans-85.2-11.3175.500000113D233D233-A235 PolarHBondContact O-N 3.08Å; D233-A235 VanDerWaalsContact O-N 3.14Å; D233-A235 WeakPolarHBondContact OD1-CB 3.48Å; D233-A235 PolarHBondContact OD1-N 3.16Å
236I96Very high96.3Very high3 Ų325.4 Ų25.42%0.01515%0.146CC..  trans-117.597.1179.1-53.5-180000109.1H83 N138 Y141 L230 D233 L238H83-I236 HydrophobicContact CB-CG2 4.01Å; N138-I236 WeakPolarHBondContact OD1-CD1 3.4Å; Y141-I236 HydrophobicContact CD2-CG2 4.13Å; Y141-I236 HydrophobicContact CG-CG2 4.29Å; L230-I236 HydrophobicContact CD2-CD1 4.17Å; D233-I236 HydrophobicContact CB-CB 4.27Å; D233-I236 HydrophobicContact CB-CD1 4.41Å; D233-I236 HydrophobicContact CB-CG1 4.28Å; D233-I236 CarbonylContact O-C 3.53Å; D233-I236 PolarHBondContact O-N 3.3Å; D233-I236 VanDerWaalsContact O-O 3.14Å; I236-L238 HydrophobicContact CG2-CB 3.99Å; I236-L238 PolarHBondContact O-N 2.98Å
237N96.3Very high96.5Very high52 Ų5224.7 Ų24.728%0.27814%0.141SC..EExtended strand (participates in β ladder)trans-72.879.1168.8-178.821.7000110.5R81 H83R81-N237 WeakPolarHBondContact O-CB 2.93Å; H83-N237 WeakPolarHBondContact CB-O 3.46Å; H83-N237 PolarHBondContact N-O 3.38Å; H83-N237 PolarHBondContact ND1-N 3.48Å
238L97.9Very high96.6Very high4 Ų425.1 Ų25.12%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-88.9121.7-173.7-176.259.9000112.6H83 Y141 L227 L230 M231 I236 I240H83-L238 HydrophobicContact CB-CD1 4.25Å; H83-L238 CarbonylContact O-C 3.55Å; H83-L238 WeakPolarHBondContact O-CA 3.18Å; Y141-L238 HydrophobicContact CE2-CD1 3.9Å; L227-L238 HydrophobicContact CB-CD2 4.49Å; L230-L238 HydrophobicContact CB-CD2 3.7Å; M231-L238 HydrophobicContact CG-CB 4.37Å; M231-L238 HydrophobicContact CG-CD2 3.83Å; M231-L238 HydrophobicContact CG-CG 4.27Å; I236-L238 HydrophobicContact CG2-CB 3.99Å; I236-L238 PolarHBondContact O-N 2.98Å; L238-I240 HydrophobicContact CD2-CG1 4.45Å; L238-I240 HydrophobicContact CG-CG1 4.26Å
239Q98.3Very high96.7Very high10 Ų1025 Ų255%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-103.9145.4164.4-60.6-176.9-23.700110.5T82 H83 I84 Y85 N323 F346 S347T82-Q239 HydrophobicContact CG2-CG 4.3Å; H83-Q239 PolarHBondContact O-N 2.82Å; I84-Q239 CarbonylContact C-O 3.59Å; I84-Q239 WeakPolarHBondContact CA-O 3.46Å; I84-Q239 HydrophobicContact CG1-CB 4.3Å; Y85-Q239 PolarHBondContact N-O 3.21Å; Q239-N323 CarbonylContact C-O 3.59Å; Q239-N323 WeakPolarHBondContact CA-O 3.31Å; Q239-F346 HydrophobicContact CB-CE1 3.92Å; Q239-F346 HydrophobicContact CB-CZ 4.17Å; Q239-F346 HydrophobicContact CG-CE1 4.37Å; Q239-F346 HydrophobicContact CG-CZ 4.42Å; Q239-F346 PolarHBondContact NE2-O 3.22Å; Q239-S347 PolarHBondContact OE1-OG 3.21Å
240I98.6Very high96.8Very high2 Ų222 Ų221%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-121.4124.5179.5-59.4169.7000109.1H87 L224 L227 M231 L238 N323 Y324 L325H87-I240 HydrophobicContact CB-CG2 4.01Å; L224-I240 HydrophobicContact CD1-CD1 3.86Å; L224-I240 HydrophobicContact CD1-CG2 3.97Å; L227-I240 HydrophobicContact CB-CD1 3.97Å; L227-I240 HydrophobicContact CD1-CD1 3.82Å; L227-I240 HydrophobicContact CD1-CG1 4.21Å; M231-I240 HydrophobicContact CE-CD1 4.12Å; M231-I240 HydrophobicContact CG-CD1 4.02Å; M231-I240 HydrophobicContact SD-CD1 3.42Å; M231-I240 WeakPolarHBondContact SD-CD1 3.16Å; M231-I240 HydrophobicContact SD-CG1 4.49Å; L238-I240 HydrophobicContact CD2-CG1 4.45Å; L238-I240 HydrophobicContact CG-CG1 4.26Å; I240-N323 PolarHBondContact N-O 3.15Å; I240-Y324 HydrophobicContact CB-CD2 4.11Å; I240-Y324 HydrophobicContact CG2-CD2 4Å; I240-Y324 HydrophobicContact CG2-CE2 4.28Å; I240-Y324 CarbonylContact O-C 3.58Å; I240-Y324 WeakPolarHBondContact O-CA 3.38Å; I240-L325 PolarHBondContact O-N 3.43Å
241I98.8Very high96.8Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-110.6108.7172.4-56.4175.2000107.2I84 Y85 L86 H87 L97 F101 L325 L343 F346I84-I241 HydrophobicContact CG2-CD1 3.87Å; I84-I241 HydrophobicContact CG2-CG1 4.16Å; Y85-I241 PolarHBondContact O-N 2.93Å; L86-I241 CarbonylContact C-O 3.56Å; L86-I241 WeakPolarHBondContact CA-O 3.24Å; L86-I241 HydrophobicContact CD2-CB 3.94Å; L86-I241 HydrophobicContact CD2-CD1 3.94Å; L86-I241 HydrophobicContact CD2-CG1 4.35Å; H87-I241 PolarHBondContact N-O 3.39Å; L97-I241 HydrophobicContact CD2-CG2 4.22Å; F101-I241 HydrophobicContact CE2-CD1 3.92Å; F101-I241 HydrophobicContact CZ-CD1 3.58Å; I241-L325 CarbonylContact C-O 3.38Å; I241-L325 WeakPolarHBondContact CA-O 3.2Å; I241-L325 HydrophobicContact CG1-CB 4.32Å; I241-L325 HydrophobicContact CG1-CD2 4.46Å; I241-L325 HydrophobicContact CG2-CD2 4.44Å; I241-L343 HydrophobicContact CD1-CD2 4.07Å; I241-L343 HydrophobicContact CG2-CD2 3.81Å; I241-F346 HydrophobicContact CD1-CD1 4.3Å; I241-F346 HydrophobicContact CD1-CE1 4.44Å; I241-F346 HydrophobicContact CG1-CD1 4.18Å; I241-F346 HydrophobicContact CG1-CE1 3.9Å
242Q98.6Very high96.8Very high1 Ų121.7 Ų21.71%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-97.4119.3-179.8-169.5169.69.200111.2H87 F244 D309 Y324 L325 L327H87-Q242 HydrophobicContact CB-CB 4.25Å; H87-Q242 HydrophobicContact CB-CG 4.21Å; H87-Q242 PolarHBondContact CD2-NE2 3.38Å; H87-Q242 PolarHBondContact NE2-NE2 3.22Å; H87-Q242 WeakPolarHBondContact O-CA 3.4Å; Q242-F244 HydrophobicContact CB-CE2 3.99Å; Q242-F244 HydrophobicContact CB-CZ 4.45Å; Q242-F244 HydrophobicContact CG-CD2 4.24Å; Q242-F244 HydrophobicContact CG-CE1 4.29Å; Q242-F244 HydrophobicContact CG-CE2 3.5Å; Q242-F244 HydrophobicContact CG-CZ 3.56Å; Q242-F244 VanDerWaalsContact NE2-CZ 3.3Å; Q242-D309 PolarHBondContact NE2-OD2 3.05Å; Q242-Y324 HydrophobicContact CB-CE2 3.69Å; Q242-Y324 WeakPolarHBondContact CB-OH 3.36Å; Q242-Y324 PolarHBondContact OE1-OH 3.48Å; Q242-L325 PolarHBondContact N-O 3.16Å; Q242-L327 PolarHBondContact O-N 3.21Å
243L98.6Very high96.8Very high1 Ų117.8 Ų17.81%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-97.3119.2-179.2-177.668000111.2H87 A88 L97 L327H87-L243 PolarHBondContact O-N 3.25Å; A88-L243 HydrophobicContact CB-CB 4.42Å; L97-L243 HydrophobicContact CB-CD2 4.4Å; L97-L243 HydrophobicContact CD2-CB 4.1Å; L97-L243 HydrophobicContact CD2-CD1 4.48Å; L97-L243 HydrophobicContact CD2-CD2 4.22Å; L243-L327 WeakPolarHBondContact CA-O 3.28Å; L243-L327 HydrophobicContact CD1-CB 4.32Å; L243-L327 HydrophobicContact CD1-CD2 3.89Å; L243-L327 HydrophobicContact CD1-CG 3.92Å
244F98.3Very high96.8Very high0 Ų016 Ų160%010%0.1CC..EExtended strand (participates in β ladder)trans-106.4159.2171.4-61.5-83.2000111Q242 W306 M310 R326 L327 R328 Y329 L411Q242-F244 HydrophobicContact CB-CE2 3.99Å; Q242-F244 HydrophobicContact CB-CZ 4.45Å; Q242-F244 HydrophobicContact CG-CD2 4.24Å; Q242-F244 HydrophobicContact CG-CE1 4.29Å; Q242-F244 HydrophobicContact CG-CE2 3.5Å; Q242-F244 HydrophobicContact CG-CZ 3.56Å; Q242-F244 VanDerWaalsContact NE2-CZ 3.3Å; F244-W306 AromaticContact CD1-CD2 3.97Å; F244-W306 HydrophobicContact CD1-CD2 3.97Å; F244-W306 AromaticContact CD1-CE2 4Å; F244-W306 HydrophobicContact CD1-CE3 4.46Å; F244-W306 HydrophobicContact CD1-CG 4.07Å; F244-W306 HydrophobicContact CD1-CZ2 4.41Å; F244-W306 HydrophobicContact CE1-CB 3.99Å; F244-W306 AromaticContact CE1-CD1 3.84Å; F244-W306 HydrophobicContact CE1-CD2 4.17Å; F244-W306 AromaticContact CE1-CG 3.76Å; F244-W306 HydrophobicContact CE1-CG 3.76Å; F244-M310 HydrophobicContact CD1-CE 3.63Å; F244-M310 HydrophobicContact CE1-CE 3.22Å; F244-M310 HydrophobicContact CE1-CG 4.49Å; F244-M310 HydrophobicContact CE2-CE 4.22Å; F244-M310 HydrophobicContact CG-CE 4.27Å; F244-M310 HydrophobicContact CZ-CE 3.53Å; F244-M310 HydrophobicContact CZ-CG 4.09Å; F244-R326 HydrophobicContact CD2-CG 3.83Å; F244-R326 HydrophobicContact CE2-CG 3.79Å; F244-L327 PolarHBondContact N-O 3.42Å; F244-R328 CarbonylContact O-C 3.58Å; F244-R328 WeakPolarHBondContact O-CA 3.37Å; F244-Y329 WeakPolarHBondContact O-CB 3.36Å; F244-Y329 PolarHBondContact O-N 3.37Å; F244-L411 HydrophobicContact CB-CD1 3.73Å; F244-L411 HydrophobicContact CB-CD2 3.93Å; F244-L411 HydrophobicContact CD1-CD1 3.95Å; F244-L411 HydrophobicContact CD1-CD2 4.34Å; F244-L411 HydrophobicContact CD2-CD2 4.15Å; F244-L411 HydrophobicContact CG-CD1 4.01Å; F244-L411 HydrophobicContact CG-CD2 3.88Å
245R97.9Very high96.8Very high13 Ų1310.4 Ų10.45%0.0496%0.062CC..  trans-152.3155.4175.6-178178.2-176.7174.712.3108.1R91 T92 P247 A249 V250 Y329 E330 A384R91-R245 PolarHBondContact O-NH1 2.96Å; T92-R245 WeakPolarHBondContact O-CD 3.34Å; R245-P247 WeakPolarHBondContact O-CD 3.48Å; R245-P247 VanDerWaalsContact O-N 3.1Å; R245-A249 HydrophobicContact CG-CB 4.31Å; R245-V250 HydrophobicContact CB-CG2 3.74Å; R245-V250 HydrophobicContact CG-CG2 3.96Å; R245-Y329 HydrophobicContact CG-CD1 3.89Å; R245-Y329 HydrophobicContact CG-CG 4.23Å; R245-E330 WeakPolarHBondContact CG-OE1 3.08Å; R245-A384 VanDerWaalsContact NH2-C 3.3Å; R245-A384 PolarHBondContact NH2-O 3.05Å
246D97.9Very high96.7Very high11 Ų1111.3 Ų11.36%0.0596%0.056CC..  trans-47118.9172.3-172.1-40.8000110.1R248 A249 V250 E330 Y413D246-R248 PolarHBondContact O-N 3.46Å; D246-R248 VanDerWaalsContact O-N 3.12Å; D246-R248 VanDerWaalsContact OD1-CB 3.25Å; D246-R248 WeakPolarHBondContact OD1-CB 3.4Å; D246-R248 IonicContact OD1-CZ 3.76Å; D246-R248 PolarHBondContact OD1-N 3.03Å; D246-R248 IonicContact OD1-NE 2.77Å; D246-R248 PolarHBondContact OD1-NE 3.41Å; D246-R248 IonicContact OD1-NH2 3.85Å; D246-R248 IonicContact OD2-CZ 3.55Å; D246-R248 IonicContact OD2-NE 2.89Å; D246-R248 PolarHBondContact OD2-NE 2.99Å; D246-R248 IonicContact OD2-NH2 3.46Å; D246-R248 PolarHBondContact OD2-NH2 3.04Å; D246-A249 HydrophobicContact CB-CB 4.07Å; D246-A249 WeakPolarHBondContact O-CA 3.38Å; D246-A249 WeakPolarHBondContact O-CB 3.39Å; D246-A249 PolarHBondContact O-N 3.26Å; D246-V250 PolarHBondContact O-N 3.06Å; D246-E330 WeakPolarHBondContact CB-OE1 3.03Å; D246-E330 PolarHBondContact N-OE1 3.3Å; D246-Y413 HydrophobicContact CB-CD1 4.24Å; D246-Y413 HydrophobicContact CB-CD2 4.43Å; D246-Y413 HydrophobicContact CB-CE1 4.08Å; D246-Y413 HydrophobicContact CB-CE2 4.27Å; D246-Y413 HydrophobicContact CB-CG 4.44Å; D246-Y413 PolarHBondContact N-OH 3.44Å
247P97.7Very high96.4Very high0 Ų011.3 Ų11.30%06%0.056CC..Hα-helixtrans-55.9-29.7-177.9-24.531.6000113.3R245 V250 H251 M299 W306 V400 C404 M408R245-P247 WeakPolarHBondContact O-CD 3.48Å; R245-P247 VanDerWaalsContact O-N 3.1Å; P247-V250 PolarHBondContact O-N 3.4Å; P247-H251 VanDerWaalsContact O-CB 3.28Å; P247-H251 WeakPolarHBondContact O-CB 3.5Å; P247-H251 PolarHBondContact O-N 3.47Å; P247-M299 HydrophobicContact CB-CE 4.2Å; P247-W306 HydrophobicContact CG-CZ3 4.14Å; P247-V400 HydrophobicContact CB-CG1 3.7Å; P247-C404 HydrophobicContact CB-CB 3.75Å; P247-C404 HydrophobicContact CG-CB 3.74Å; P247-M408 HydrophobicContact CG-CG 3.76Å; P247-M408 HydrophobicContact CG-SD 4.48Å
248R97.4Very high96.2Very high10 Ų1011.1 Ų11.14%0.0385%0.053CC..Hα-helixtrans-70.2-41.6177.1-58.8168-67.7-162.40.9110.7D246 H251 N252 W388 L392 V400 E401 E414D246-R248 PolarHBondContact O-N 3.46Å; D246-R248 VanDerWaalsContact O-N 3.12Å; D246-R248 VanDerWaalsContact OD1-CB 3.25Å; D246-R248 WeakPolarHBondContact OD1-CB 3.4Å; D246-R248 IonicContact OD1-CZ 3.76Å; D246-R248 PolarHBondContact OD1-N 3.03Å; D246-R248 IonicContact OD1-NE 2.77Å; D246-R248 PolarHBondContact OD1-NE 3.41Å; D246-R248 IonicContact OD1-NH2 3.85Å; D246-R248 IonicContact OD2-CZ 3.55Å; D246-R248 IonicContact OD2-NE 2.89Å; D246-R248 PolarHBondContact OD2-NE 2.99Å; D246-R248 IonicContact OD2-NH2 3.46Å; D246-R248 PolarHBondContact OD2-NH2 3.04Å; R248-H251 PolarHBondContact O-N 3.04Å; R248-N252 WeakPolarHBondContact O-CB 3.46Å; R248-N252 PolarHBondContact O-N 3.22Å; R248-W388 HydrophobicContact CB-CB 4.5Å; R248-W388 HydrophobicContact CB-CD2 3.65Å; R248-W388 HydrophobicContact CB-CE3 3.78Å; R248-W388 HydrophobicContact CB-CG 3.99Å; R248-W388 HydrophobicContact CB-CZ3 4.28Å; R248-W388 HydrophobicContact CG-CE3 4.43Å; R248-W388 HydrophobicContact CG-CZ3 4.48Å; R248-W388 VanDerWaalsContact CZ-CZ2 3.43Å; R248-L392 HydrophobicContact CB-CD1 4.46Å; R248-V400 HydrophobicContact CG-CB 4.33Å; R248-V400 HydrophobicContact CG-CG1 3.87Å; R248-E401 IonicContact CZ-OE1 2.69Å; R248-E401 IonicContact NH1-OE1 2.95Å; R248-E401 PolarHBondContact NH1-OE1 3.46Å; R248-E414 PolarHBondContact NH1-O 3.11Å; R248-E414 PolarHBondContact NH2-O 3.03Å
249A96.5Very high95.8Very high2 Ų217.5 Ų17.52%0.0178%0.083CC..Hα-helixtrans-64.4-40.6173.300000111.8R245 D246 S253 W388R245-A249 HydrophobicContact CG-CB 4.31Å; D246-A249 HydrophobicContact CB-CB 4.07Å; D246-A249 WeakPolarHBondContact O-CA 3.38Å; D246-A249 WeakPolarHBondContact O-CB 3.39Å; D246-A249 PolarHBondContact O-N 3.26Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.3Å; A249-S253 VanDerWaalsContact O-N 3.09Å; A249-W388 HydrophobicContact CB-CG 4.48Å
250V97.1Very high95.5Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-61.5-50.5173.71750000110.3T92 R245 D246 P247 N252 S253 R254 M299 W306T92-V250 HydrophobicContact CG2-CG2 4.2Å; R245-V250 HydrophobicContact CB-CG2 3.74Å; R245-V250 HydrophobicContact CG-CG2 3.96Å; D246-V250 PolarHBondContact O-N 3.06Å; P247-V250 PolarHBondContact O-N 3.4Å; V250-N252 PolarHBondContact O-N 3.29Å; V250-S253 WeakPolarHBondContact O-CB 3.14Å; V250-S253 PolarHBondContact O-N 3.28Å; V250-S253 VanDerWaalsContact O-N 3.16Å; V250-R254 HydrophobicContact CG1-CG 4.2Å; V250-R254 WeakPolarHBondContact O-CG 3.44Å; V250-R254 PolarHBondContact O-N 2.95Å; V250-M299 HydrophobicContact CB-CE 4.39Å; V250-M299 HydrophobicContact CG1-CE 4.11Å; V250-M299 HydrophobicContact CG1-SD 4.08Å; V250-W306 HydrophobicContact CG2-CH2 4.17Å
251H96.4Very high95.2Very high1 Ų119.5 Ų19.51%0.00510%0.101CC..Hα-helixtrans-57.8-50.6-179.6-178.780.2000112P247 R248 S253 R254 L255 M299 V400P247-H251 VanDerWaalsContact O-CB 3.28Å; P247-H251 WeakPolarHBondContact O-CB 3.5Å; P247-H251 PolarHBondContact O-N 3.47Å; R248-H251 PolarHBondContact O-N 3.04Å; H251-S253 VanDerWaalsContact C-N 3.29Å; H251-S253 PolarHBondContact O-N 3.36Å; H251-R254 WeakPolarHBondContact O-CB 3.49Å; H251-R254 PolarHBondContact O-N 3.36Å; H251-R254 VanDerWaalsContact O-N 3.08Å; H251-L255 WeakPolarHBondContact NE2-CD1 3.1Å; H251-L255 WeakPolarHBondContact O-CG 3.32Å; H251-L255 PolarHBondContact O-N 3.47Å; H251-M299 HydrophobicContact CB-CG 4.27Å; H251-V400 HydrophobicContact CB-CG2 3.64Å; H251-V400 VanDerWaalsContact CG-CG2 3.42Å
252N95.3Very high94.9Very high19 Ų1921 Ų2110%0.10211%0.11CC..Hα-helixtrans-53.4-46.4174.4-179.836.1000112.1R248 V250 R254 L255 K256 A387 W388 R391 L392R248-N252 WeakPolarHBondContact O-CB 3.46Å; R248-N252 PolarHBondContact O-N 3.22Å; V250-N252 PolarHBondContact O-N 3.29Å; N252-R254 VanDerWaalsContact C-N 3.33Å; N252-R254 PolarHBondContact O-N 2.93Å; N252-L255 PolarHBondContact O-N 3.45Å; N252-K256 PolarHBondContact O-N 3.37Å; N252-K256 VanDerWaalsContact O-N 3.11Å; N252-A387 PolarHBondContact ND2-O 3.08Å; N252-W388 HydrophobicContact CB-CB 3.73Å; N252-W388 WeakPolarHBondContact ND2-CA 3.36Å; N252-W388 PolarHBondContact ND2-N 3.05Å; N252-R391 WeakPolarHBondContact OD1-CB 3.48Å; N252-L392 HydrophobicContact CB-CD1 4.07Å; N252-L392 HydrophobicContact CB-CD2 4Å; N252-L392 HydrophobicContact CB-CG 3.96Å
253S94.1Very high94.6Very high15 Ų1524 Ų2411%0.10512%0.123CC..Hα-helixtrans-67.6-32.9179.8-160.90000113.1R91 A249 V250 H251 S257R91-S253 PolarHBondContact NE-O 2.97Å; R91-S253 PolarHBondContact NE-OG 3.44Å; R91-S253 PolarHBondContact NH2-OG 2.89Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.3Å; A249-S253 VanDerWaalsContact O-N 3.09Å; V250-S253 WeakPolarHBondContact O-CB 3.14Å; V250-S253 PolarHBondContact O-N 3.28Å; V250-S253 VanDerWaalsContact O-N 3.16Å; H251-S253 VanDerWaalsContact C-N 3.29Å; H251-S253 PolarHBondContact O-N 3.36Å; S253-S257 PolarHBondContact O-N 3.08Å; S253-S257 PolarHBondContact O-OG 3.03Å; S253-S257 VanDerWaalsContact O-OG 3.08Å
254R94.8Very high94.3Very high0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-70.4-44174-70.5-177.774.6100.84.6111.4R91 V250 H251 N252 K256 S257 K258 L261 S265 V295R91-R254 HydrophobicContact CB-CG 3.96Å; R91-R254 HydrophobicContact CG-CB 4.37Å; R91-R254 HydrophobicContact CG-CG 3.61Å; V250-R254 HydrophobicContact CG1-CG 4.2Å; V250-R254 WeakPolarHBondContact O-CG 3.44Å; V250-R254 PolarHBondContact O-N 2.95Å; H251-R254 WeakPolarHBondContact O-CB 3.49Å; H251-R254 PolarHBondContact O-N 3.36Å; H251-R254 VanDerWaalsContact O-N 3.08Å; N252-R254 VanDerWaalsContact C-N 3.33Å; N252-R254 PolarHBondContact O-N 2.93Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 3.27Å; R254-S257 CarbonylContact O-C 3.56Å; R254-S257 VanDerWaalsContact O-C 3.23Å; R254-S257 WeakPolarHBondContact O-CA 3.32Å; R254-S257 PolarHBondContact O-N 3.17Å; R254-K258 WeakPolarHBondContact O-CA 3.29Å; R254-K258 PolarHBondContact O-N 3.41Å; R254-L261 HydrophobicContact CB-CD1 3.93Å; R254-L261 HydrophobicContact CG-CD1 3.91Å; R254-S265 PolarHBondContact NH2-OG 3.43Å; R254-V295 HydrophobicContact CB-CG1 3.63Å
255L93Very high94.1Very high19 Ų1924.6 Ų24.610%0.09913%0.126CC..Hα-helixtrans-59-40.6176.5-72.2-170.3000112H251 N252 S257 K258 E292 V295 L392H251-L255 WeakPolarHBondContact NE2-CD1 3.1Å; H251-L255 WeakPolarHBondContact O-CG 3.32Å; H251-L255 PolarHBondContact O-N 3.47Å; N252-L255 PolarHBondContact O-N 3.45Å; L255-S257 PolarHBondContact O-N 3.07Å; L255-K258 VanDerWaalsContact O-CB 3.29Å; L255-K258 WeakPolarHBondContact O-CB 3.41Å; L255-K258 VanDerWaalsContact O-CG 3.29Å; L255-K258 WeakPolarHBondContact O-CG 3.03Å; L255-K258 PolarHBondContact O-N 3.1Å; L255-E292 HydrophobicContact CD2-CG 3.84Å; L255-V295 HydrophobicContact CD2-CG1 4.19Å; L255-L392 HydrophobicContact CD1-CD2 3.94Å
256K90.5Very high93.8Very high74 Ų7425.6 Ų25.632%0.32213%0.132SC..Hα-helixtrans-62.9-25.6174.2-169.2166.2-170.7174.60113.5N252 R254 Y368N252-K256 PolarHBondContact O-N 3.37Å; N252-K256 VanDerWaalsContact O-N 3.11Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 3.27Å; K256-Y368 HydrophobicContact CD-CD1 4.18Å; K256-Y368 HydrophobicContact CD-CE1 3.51Å; K256-Y368 HydrophobicContact CG-CE1 4.47Å
257S90.9Very high93.5Very high3 Ų325.1 Ų25.12%0.02113%0.129CC..THydrogen-bonded Turntrans-109.422.1-179.6-42.70000111.9S253 R254 L255 Q259 A260 L261 P373S253-S257 PolarHBondContact O-N 3.08Å; S253-S257 PolarHBondContact O-OG 3.03Å; S253-S257 VanDerWaalsContact O-OG 3.08Å; R254-S257 CarbonylContact O-C 3.56Å; R254-S257 VanDerWaalsContact O-C 3.23Å; R254-S257 WeakPolarHBondContact O-CA 3.32Å; R254-S257 PolarHBondContact O-N 3.17Å; L255-S257 PolarHBondContact O-N 3.07Å; S257-Q259 VanDerWaalsContact C-N 3.32Å; S257-Q259 PolarHBondContact O-N 3.06Å; S257-A260 PolarHBondContact O-N 3.25Å; S257-L261 PolarHBondContact O-N 3.05Å; S257-P373 WeakPolarHBondContact OG-CB 3.22Å
258K91.8Very high93.3Very high48 Ų4825.1 Ų25.121%0.20913%0.129CC..Hα-helixtrans-57.1-43.1-16460.1-171.4175.6-171.20113.1R254 L255 A260 L261 V262 E292 V295R254-K258 WeakPolarHBondContact O-CA 3.29Å; R254-K258 PolarHBondContact O-N 3.41Å; L255-K258 VanDerWaalsContact O-CB 3.29Å; L255-K258 WeakPolarHBondContact O-CB 3.41Å; L255-K258 VanDerWaalsContact O-CG 3.29Å; L255-K258 WeakPolarHBondContact O-CG 3.03Å; L255-K258 PolarHBondContact O-N 3.1Å; K258-A260 VanDerWaalsContact C-N 3.26Å; K258-A260 PolarHBondContact O-N 2.76Å; K258-L261 PolarHBondContact O-N 3.3Å; K258-V262 WeakPolarHBondContact O-CG2 3.47Å; K258-V262 PolarHBondContact O-N 2.85Å; K258-E292 HydrophobicContact CD-CB 4.29Å; K258-E292 IonicContact NZ-OE2 2.67Å; K258-E292 PolarHBondContact NZ-OE2 3.35Å; K258-V295 HydrophobicContact CB-CG2 4.07Å
259Q90.3Very high93Very high139 Ų13926.4 Ų26.465%0.6514%0.137SC*.Hα-helixtrans-58.2-38.4-179.3-68.877.45.900112.3S257 L261S257-Q259 VanDerWaalsContact C-N 3.32Å; S257-Q259 PolarHBondContact O-N 3.06Å; Q259-L261 VanDerWaalsContact C-N 3.35Å
260A90.2Very high92.7Very high52 Ų5232.8 Ų32.843%0.4316%0.16SC..Hα-helixtrans-81.1-14.4179.900000113.7S257 K258 F374S257-A260 PolarHBondContact O-N 3.25Å; K258-A260 VanDerWaalsContact C-N 3.26Å; K258-A260 PolarHBondContact O-N 2.76Å; A260-F374 HydrophobicContact CB-CE2 3.41Å; A260-F374 VanDerWaalsContact CB-CE2 3.41Å; A260-F374 HydrophobicContact CB-CZ 3.76Å
261L93.6Very high92.1Very high2 Ų234.2 Ų34.21%0.0117%0.17CC..Hα-helixtrans-109-6.9-175.7-65.9176.5000113.5W90 R91 R254 S257 K258 Q259 K263 E264 S265 V295 F374W90-L261 HydrophobicContact CB-CD2 4Å; W90-L261 HydrophobicContact CG-CD2 3.83Å; R91-L261 HydrophobicContact CG-CD1 3.97Å; R254-L261 HydrophobicContact CB-CD1 3.93Å; R254-L261 HydrophobicContact CG-CD1 3.91Å; S257-L261 PolarHBondContact O-N 3.05Å; K258-L261 PolarHBondContact O-N 3.3Å; Q259-L261 VanDerWaalsContact C-N 3.35Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 3.43Å; L261-E264 PolarHBondContact O-N 3.3Å; L261-S265 VanDerWaalsContact O-CB 3.26Å; L261-S265 WeakPolarHBondContact O-CB 3.29Å; L261-S265 PolarHBondContact O-N 2.6Å; L261-S265 PolarHBondContact O-OG 2.96Å; L261-V295 HydrophobicContact CB-CG2 4.21Å; L261-F374 HydrophobicContact CD2-CE1 4.34Å; L261-F374 HydrophobicContact CD2-CZ 4.11Å; L261-F374 HydrophobicContact CG-CZ 4.26Å
262V92.3Very high91.4Very high32 Ų3236.8 Ų36.819%0.19418%0.181CC..Hα-helixtrans-55.8-45.7-178.5-178.40000111.3K258 S265 I266 A291 Y294K258-V262 WeakPolarHBondContact O-CG2 3.47Å; K258-V262 PolarHBondContact O-N 2.85Å; V262-S265 PolarHBondContact O-N 3.34Å; V262-I266 HydrophobicContact CG1-CD1 3.77Å; V262-I266 HydrophobicContact CG1-CG1 4.35Å; V262-I266 VanDerWaalsContact O-CG1 3.28Å; V262-I266 WeakPolarHBondContact O-CG1 3.43Å; V262-I266 PolarHBondContact O-N 3.13Å; V262-A291 HydrophobicContact CG2-CB 3.49Å; V262-A291 VanDerWaalsContact CG2-CB 3.49Å; V262-Y294 HydrophobicContact CG1-CD2 4.1Å
263K91.9Very high90Very high64 Ų6444 Ų4428%0.27821%0.212SC..Hα-helixtrans-62.1-49.2-175.8-170-178.1177.6-177.70110.9Y122 L261 I266 Q267Y122-K263 HydrophobicContact CD2-CD 3.99Å; Y122-K263 HydrophobicContact CD2-CG 3.47Å; Y122-K263 VanDerWaalsContact CD2-CG 3.47Å; Y122-K263 HydrophobicContact CE2-CB 4.46Å; Y122-K263 HydrophobicContact CE2-CD 4.24Å; Y122-K263 HydrophobicContact CE2-CG 3.33Å; Y122-K263 HydrophobicContact CG-CD 4.26Å; Y122-K263 HydrophobicContact CG-CG 4.2Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 3.43Å; K263-I266 PolarHBondContact O-N 3Å; K263-Q267 PolarHBondContact O-N 3.01Å
264E92.6Very high88Confident13 Ų1350.8 Ų50.86%0.06124%0.242CC..Hα-helixtrans-64.9-43.4176.6-71.28317200111.8W90 W118 Q119 R220 L261 I266 Q267 V268W90-E264 HydrophobicContact CH2-CB 4.19Å; W90-E264 HydrophobicContact CH2-CG 4.34Å; W90-E264 HydrophobicContact CZ2-CB 3.81Å; W90-E264 HydrophobicContact CZ2-CG 3.55Å; W118-E264 HydrophobicContact CE3-CG 4.26Å; W118-E264 HydrophobicContact CZ3-CB 4.35Å; W118-E264 HydrophobicContact CZ3-CG 4.49Å; Q119-E264 PolarHBondContact NE2-OE1 3.37Å; R220-E264 IonicContact NH2-OE1 2.91Å; L261-E264 PolarHBondContact O-N 3.3Å; E264-I266 VanDerWaalsContact C-N 3.29Å; E264-I266 PolarHBondContact O-N 3.12Å; E264-Q267 PolarHBondContact O-N 3.42Å; E264-Q267 VanDerWaalsContact O-N 3.13Å; E264-V268 WeakPolarHBondContact O-CG2 3.32Å; E264-V268 PolarHBondContact O-N 2.95Å
265S93.7Very high85.6Confident0 Ų056.8 Ų56.80%028%0.279CS..Hα-helixtrans-59.4-38.8176.2-870000112.4R254 L261 V262 V268 L269 Y294 V295 A298R254-S265 PolarHBondContact NH2-OG 3.43Å; L261-S265 VanDerWaalsContact O-CB 3.26Å; L261-S265 WeakPolarHBondContact O-CB 3.29Å; L261-S265 PolarHBondContact O-N 2.6Å; L261-S265 PolarHBondContact O-OG 2.96Å; V262-S265 PolarHBondContact O-N 3.34Å; S265-V268 PolarHBondContact O-N 3.45Å; S265-L269 WeakPolarHBondContact O-CB 3.3Å; S265-L269 VanDerWaalsContact O-CG 3.23Å; S265-L269 WeakPolarHBondContact O-CG 3.42Å; S265-L269 PolarHBondContact O-N 2.95Å; S265-Y294 WeakPolarHBondContact CB-O 3.29Å; S265-V295 WeakPolarHBondContact OG-CA 3.42Å; S265-A298 WeakPolarHBondContact OG-CB 3.45Å
266I91.9Very high83.7Confident34 Ų3460.1 Ų60.117%0.17430%0.297CS..Hα-helixtrans-63.2-46.2174-71.1166.7000110.9V262 K263 E264 V268 L269 R270 Y294V262-I266 HydrophobicContact CG1-CD1 3.77Å; V262-I266 HydrophobicContact CG1-CG1 4.35Å; V262-I266 VanDerWaalsContact O-CG1 3.28Å; V262-I266 WeakPolarHBondContact O-CG1 3.43Å; V262-I266 PolarHBondContact O-N 3.13Å; K263-I266 PolarHBondContact O-N 3Å; E264-I266 VanDerWaalsContact C-N 3.29Å; E264-I266 PolarHBondContact O-N 3.12Å; I266-V268 VanDerWaalsContact C-N 3.33Å; I266-V268 PolarHBondContact O-N 3.23Å; I266-L269 PolarHBondContact O-N 3.08Å; I266-R270 HydrophobicContact CG2-CG 4.41Å; I266-R270 VanDerWaalsContact O-CG 3.26Å; I266-R270 WeakPolarHBondContact O-CG 3.47Å; I266-R270 PolarHBondContact O-N 2.96Å; I266-Y294 HydrophobicContact CD1-CD2 4.07Å; I266-Y294 HydrophobicContact CD1-CE2 4.04Å; I266-Y294 HydrophobicContact CG1-CD1 4.18Å; I266-Y294 HydrophobicContact CG1-CD2 3.94Å; I266-Y294 HydrophobicContact CG1-CE1 4.4Å; I266-Y294 HydrophobicContact CG1-CE2 4.13Å; I266-Y294 HydrophobicContact CG1-CG 3.96Å
267Q92.4Very high81.6Confident0 Ų063.6 Ų63.60%031%0.312CS..Hα-helixtrans-62.5-39.7179-68.4-171.889.400112.1W118 Y122 G124 A126 K263 E264 R270W118-Q267 HydrophobicContact CE3-CB 4.04Å; W118-Q267 HydrophobicContact CE3-CG 4.47Å; W118-Q267 HydrophobicContact CH2-CB 4.42Å; W118-Q267 HydrophobicContact CZ3-CB 3.64Å; W118-Q267 PolarHBondContact O-NE2 2.83Å; W118-Q267 VanDerWaalsContact O-NE2 3.11Å; Y122-Q267 HydrophobicContact CD2-CG 3.66Å; Y122-Q267 HydrophobicContact CE2-CG 3.94Å; G124-Q267 WeakPolarHBondContact O-CB 3.48Å; G124-Q267 WeakPolarHBondContact O-CG 3.4Å; G124-Q267 PolarHBondContact O-OE1 2.75Å; A126-Q267 PolarHBondContact N-O 2.83Å; A126-Q267 VanDerWaalsContact N-O 3.1Å; K263-Q267 PolarHBondContact O-N 3.01Å; E264-Q267 PolarHBondContact O-N 3.42Å; E264-Q267 VanDerWaalsContact O-N 3.13Å; Q267-R270 PolarHBondContact O-N 3.14Å
268V92.6Very high79.2Confident0 Ų073.8 Ų73.80%035%0.352CS..Hα-helixtrans-60.3-52.8172.9172.60000110.2W90 W118 L222 E264 S265 I266 R270 S271 A298 L301W90-V268 HydrophobicContact CZ3-CG2 4.18Å; W118-V268 HydrophobicContact CH2-CG2 4Å; W118-V268 HydrophobicContact CZ3-CG2 4.3Å; L222-V268 HydrophobicContact CD1-CG1 4.38Å; L222-V268 HydrophobicContact CD1-CG2 4.34Å; L222-V268 HydrophobicContact CD2-CG2 4.33Å; E264-V268 WeakPolarHBondContact O-CG2 3.32Å; E264-V268 PolarHBondContact O-N 2.95Å; S265-V268 PolarHBondContact O-N 3.45Å; I266-V268 VanDerWaalsContact C-N 3.33Å; I266-V268 PolarHBondContact O-N 3.23Å; V268-R270 PolarHBondContact O-N 3.26Å; V268-S271 WeakPolarHBondContact O-CB 3.45Å; V268-S271 PolarHBondContact O-N 3.09Å; V268-A298 HydrophobicContact CG1-CB 4.45Å; V268-L301 HydrophobicContact CG1-CB 3.94Å; V268-L301 HydrophobicContact CG1-CD2 4.37Å; V268-L301 VanDerWaalsContact O-CD2 3.3Å; V268-L301 WeakPolarHBondContact O-CD2 3.07Å
269L91.3Very high77Confident37 Ų3778.9 Ų78.919%0.19437%0.373CS..Hα-helixtrans-61.7-27.1-178.2-74.2170.6000113.7S265 I266 S271 K272 Y294 A298 L301S265-L269 WeakPolarHBondContact O-CB 3.3Å; S265-L269 VanDerWaalsContact O-CG 3.23Å; S265-L269 WeakPolarHBondContact O-CG 3.42Å; S265-L269 PolarHBondContact O-N 2.95Å; I266-L269 PolarHBondContact O-N 3.08Å; L269-S271 PolarHBondContact O-N 3.04Å; L269-K272 WeakPolarHBondContact O-CB 3.38Å; L269-K272 PolarHBondContact O-N 2.95Å; L269-Y294 HydrophobicContact CD1-CD1 3.64Å; L269-Y294 HydrophobicContact CD1-CG 4.4Å; L269-A298 HydrophobicContact CG-CB 4.33Å; L269-L301 HydrophobicContact CD2-CD1 3.91Å
270R89.3Confident74.9Confident137 Ų13782.3 Ų82.352%0.51738%0.38SS..Hα-helixtrans-69.6-20.6175.9-74.2172.173.1109.50.2113.1P123 D125 I266 Q267 V268 K272P123-R270 PolarHBondContact O-NE 3.18Å; P123-R270 PolarHBondContact O-NH2 3.34Å; D125-R270 HydrophobicContact CB-CB 3.59Å; I266-R270 HydrophobicContact CG2-CG 4.41Å; I266-R270 VanDerWaalsContact O-CG 3.26Å; I266-R270 WeakPolarHBondContact O-CG 3.47Å; I266-R270 PolarHBondContact O-N 2.96Å; Q267-R270 PolarHBondContact O-N 3.14Å; V268-R270 PolarHBondContact O-N 3.26Å; R270-K272 PolarHBondContact O-N 3.4Å
271S86.3Confident72.7Confident30 Ų3087.1 Ų87.121%0.2140%0.398CS..THydrogen-bonded Turntrans-80-2.1176.2-600000113.6D125 A126 G127 V268 L269 K273D125-S271 WeakPolarHBondContact CB-OG 3.48Å; D125-S271 PolarHBondContact OD1-OG 2.87Å; A126-S271 PolarHBondContact N-OG 3.24Å; G127-S271 PolarHBondContact N-OG 3.26Å; V268-S271 WeakPolarHBondContact O-CB 3.45Å; V268-S271 PolarHBondContact O-N 3.09Å; L269-S271 PolarHBondContact O-N 3.04Å; S271-K273 PolarHBondContact O-N 3.49Å
272K80.7Confident70.4Confident54 Ų5494.7 Ų94.724%0.23544%0.438CS..SBendtrans-61119.6172.8-163.2166.9-170.5163.20109.3L269 R270 D276 E300 L301L269-K272 WeakPolarHBondContact O-CB 3.38Å; L269-K272 PolarHBondContact O-N 2.95Å; R270-K272 PolarHBondContact O-N 3.4Å; K272-D276 WeakPolarHBondContact CE-OD2 3.38Å; K272-E300 IonicContact NZ-OE1 2.81Å; K272-E300 PolarHBondContact NZ-OE1 2.85Å; K272-E300 IonicContact NZ-OE2 2.94Å; K272-E300 PolarHBondContact NZ-OE2 3.22Å; K272-L301 HydrophobicContact CB-CD2 4.03Å; K272-L301 HydrophobicContact CD-CD1 4.29Å
273K65.6Low68.4Low172 Ų17297.2 Ų97.275%0.74845%0.453SS*.  trans-55.9139-178.5-70.1-177.2179.6177.90110.4S271 T275 D276S271-K273 PolarHBondContact O-N 3.49Å; K273-T275 PolarHBondContact O-N 3.33Å; K273-D276 PolarHBondContact O-N 2.81Å
274Q51.8Low66Low156 Ų15697.8 Ų97.873%0.72946%0.463SS*.G310 helixtrans-62.5-13.8-173.3-76.2-173.10.800115.1D276 K277Q274-D276 PolarHBondContact O-N 3.47Å; Q274-K277 WeakPolarHBondContact O-CG 3.25Å; Q274-K277 PolarHBondContact O-N 3.23Å
275T45.9Very low63.8Low126 Ų126103.2 Ų103.277%0.77350%0.503SS*.G310 helixtrans-65-17.7175.618.80000113.4K273 K277K273-T275 PolarHBondContact O-N 3.33Å; T275-K277 VanDerWaalsContact C-N 3.32Å; T275-K277 PolarHBondContact O-N 3.22Å
276D51.9Low61.9Low90 Ų90108.7 Ų108.748%0.48153%0.532SS..G310 helixtrans-92.930.9173.7-74-22.4000113.7K272 K273 Q274 Y278 K279K272-D276 WeakPolarHBondContact CE-OD2 3.38Å; K273-D276 PolarHBondContact O-N 2.81Å; Q274-D276 PolarHBondContact O-N 3.47Å; D276-Y278 PolarHBondContact O-N 2.95Å; D276-K279 PolarHBondContact O-N 3.37Å
277K45.9Very low60Low146 Ų146118.3 Ų118.364%0.63557%0.566SS**G310 helixtrans-56.4-19179.3-105.5176.4-179.8176.20114.1Q274 T275Q274-K277 WeakPolarHBondContact O-CG 3.25Å; Q274-K277 PolarHBondContact O-N 3.23Å; T275-K277 VanDerWaalsContact C-N 3.32Å; T275-K277 PolarHBondContact O-N 3.22Å
278Y41.3Very low58Low218 Ų218126.5 Ų126.586%0.85561%0.606SS**G310 helixtrans-77.9-11.8-178.6-82.9-83.5000115.5D276D276-Y278 PolarHBondContact O-N 2.95Å
279K46.3Very low56.7Low154 Ų154130.3 Ų130.367%0.6763%0.627SS**G310 helixtrans-9913.5177.8-75.9-174.3179.6175.90114.7D276 L281D276-K279 PolarHBondContact O-N 3.37Å; K279-L281 PolarHBondContact O-N 3.36Å
280R45.7Very low56.2Low211 Ų211134.7 Ų134.780%0.79664%0.641SS**  trans-82.714.4178.7-108.4-174.2-171.5177.15.5115.1
281L43.3Very low56Low153 Ų153129.2 Ų129.280%0.80163%0.625SS**  trans-11135.4-171.9-81.3165.7000114.4K279K279-L281 PolarHBondContact O-N 3.36Å
282L46.6Very low56.1Low161 Ų161130.4 Ų130.484%0.84363%0.627SS**  trans-145.973.7168.2-68.1173.9000110.3
283V48.8Very low56.5Low86 Ų86129.1 Ų129.152%0.52163%0.625SS.*  trans-113109.9163.6-177.30000107.6
284P43.2Very low57.7Low75 Ų75123.2 Ų123.249%0.48760%0.599SS.*  trans-63.5140176.6-19.130.8000111.3N286P284-N286 PolarHBondContact O-N 3.02Å
285S45.7Very low59.6Low127 Ų127115.8 Ų115.889%0.88856%0.564SS**SBendtrans-65.8-4.3-175.5-166.40000115.1
286N52.7Low61.8Low115 Ų115110.1 Ų110.162%0.61553%0.53SS*.  trans-91.5120.1-177.1-97-11.2000113.2P284 M288 N289P284-N286 PolarHBondContact O-N 3.02Å; N286-M288 VanDerWaalsContact C-N 3.3Å; N286-M288 PolarHBondContact O-N 2.89Å; N286-N289 PolarHBondContact O-N 3Å; N286-N289 VanDerWaalsContact O-N 3.08Å
287R53.1Low63.6Low236 Ų236107.3 Ų107.389%0.89152%0.517SS*.Hα-helixtrans-56.6-34.4-177.3-70.3-176.4-177.4-179.51.3114.2N289 R290R287-N289 VanDerWaalsContact C-N 3.31Å; R287-N289 PolarHBondContact O-N 3.24Å; R287-R290 PolarHBondContact O-N 3.27Å
288M50.1Low65.9Low172 Ų172100.4 Ų100.485%0.84749%0.487SS*.Hα-helixtrans-68.7-25.7178.8-107.4164.386.900113.7N286N286-M288 VanDerWaalsContact C-N 3.3Å; N286-M288 PolarHBondContact O-N 2.89Å
289N66.1Low68.5Low81 Ų8190 Ų9043%0.43345%0.446SS..Hα-helixtrans-92.5-6.8-179-66.6-5.3000112.9N286 R287 S293N286-N289 PolarHBondContact O-N 3Å; N286-N289 VanDerWaalsContact O-N 3.08Å; R287-N289 VanDerWaalsContact C-N 3.31Å; R287-N289 PolarHBondContact O-N 3.24Å; N289-S293 VanDerWaalsContact O-CB 3.28Å; N289-S293 WeakPolarHBondContact O-CB 3.31Å; N289-S293 PolarHBondContact O-N 3.45Å
290R79.9Confident70.7Confident128 Ų12884.1 Ų84.148%0.48342%0.421SS..Hα-helixtrans-73.6-41.2-174.2-168.8173.4-178.8166.5-3.2113R287 E292 S293 Y294R287-R290 PolarHBondContact O-N 3.27Å; R290-E292 VanDerWaalsContact C-N 3.34Å; R290-S293 PolarHBondContact O-N 2.84Å; R290-Y294 HydrophobicContact CG-CD2 3.94Å; R290-Y294 HydrophobicContact CG-CE2 3.44Å; R290-Y294 VanDerWaalsContact CG-CE2 3.44Å; R290-Y294 PolarHBondContact NE-OH 3.41Å; R290-Y294 PolarHBondContact NH2-OH 2.94Å; R290-Y294 WeakPolarHBondContact O-CD2 3.41Å; R290-Y294 PolarHBondContact O-N 3.39Å
291A85.3Confident72.9Confident23 Ų2374.7 Ų74.719%0.1939%0.387CS..Hα-helixtrans-62.1-44.7175.700000111.3V262 Y294 V295V262-A291 HydrophobicContact CG2-CB 3.49Å; V262-A291 VanDerWaalsContact CG2-CB 3.49Å; A291-Y294 PolarHBondContact O-N 3.32Å; A291-V295 WeakPolarHBondContact O-CB 3.47Å; A291-V295 VanDerWaalsContact O-CG2 3.22Å; A291-V295 WeakPolarHBondContact O-CG2 3.39Å; A291-V295 PolarHBondContact O-N 2.91Å
292E88.8Confident75.4Confident54 Ų5467.6 Ų67.625%0.25235%0.35SS..Hα-helixtrans-61.5-48.1175.8-178.7155.7160.800111.7L255 K258 R290 Y294 V295 A296 Q396L255-E292 HydrophobicContact CD2-CG 3.84Å; K258-E292 HydrophobicContact CD-CB 4.29Å; K258-E292 IonicContact NZ-OE2 2.67Å; K258-E292 PolarHBondContact NZ-OE2 3.35Å; R290-E292 VanDerWaalsContact C-N 3.34Å; E292-Y294 PolarHBondContact O-N 3.36Å; E292-V295 PolarHBondContact O-N 3.13Å; E292-A296 WeakPolarHBondContact O-CB 3.41Å; E292-A296 PolarHBondContact O-N 3.01Å; E292-Q396 PolarHBondContact OE1-NE2 2.66Å
293S88.2Confident77.7Confident28 Ų2860 Ų6020%0.19631%0.31CS..Hα-helixtrans-56.3-48.5175.6175.50000112.3N289 R290 V295 A296 S297N289-S293 VanDerWaalsContact O-CB 3.28Å; N289-S293 WeakPolarHBondContact O-CB 3.31Å; N289-S293 PolarHBondContact O-N 3.45Å; R290-S293 PolarHBondContact O-N 2.84Å; S293-V295 PolarHBondContact O-N 3.2Å; S293-A296 PolarHBondContact O-N 3.11Å; S293-S297 VanDerWaalsContact O-CB 3.31Å; S293-S297 WeakPolarHBondContact O-CB 3.28Å; S293-S297 PolarHBondContact O-N 3.43Å; S293-S297 PolarHBondContact O-OG 2.79Å
294Y90.8Very high79.9Confident48 Ų4860 Ų6019%0.18831%0.307CS..Hα-helixtrans-63.5-40.9177.4-71.6-49.6000112.9V262 S265 I266 L269 R290 A291 E292 A298V262-Y294 HydrophobicContact CG1-CD2 4.1Å; S265-Y294 WeakPolarHBondContact CB-O 3.29Å; I266-Y294 HydrophobicContact CD1-CD2 4.07Å; I266-Y294 HydrophobicContact CD1-CE2 4.04Å; I266-Y294 HydrophobicContact CG1-CD1 4.18Å; I266-Y294 HydrophobicContact CG1-CD2 3.94Å; I266-Y294 HydrophobicContact CG1-CE1 4.4Å; I266-Y294 HydrophobicContact CG1-CE2 4.13Å; I266-Y294 HydrophobicContact CG1-CG 3.96Å; L269-Y294 HydrophobicContact CD1-CD1 3.64Å; L269-Y294 HydrophobicContact CD1-CG 4.4Å; R290-Y294 HydrophobicContact CG-CD2 3.94Å; R290-Y294 HydrophobicContact CG-CE2 3.44Å; R290-Y294 VanDerWaalsContact CG-CE2 3.44Å; R290-Y294 PolarHBondContact NE-OH 3.41Å; R290-Y294 PolarHBondContact NH2-OH 2.94Å; R290-Y294 WeakPolarHBondContact O-CD2 3.41Å; R290-Y294 PolarHBondContact O-N 3.39Å; A291-Y294 PolarHBondContact O-N 3.32Å; E292-Y294 PolarHBondContact O-N 3.36Å; Y294-A298 WeakPolarHBondContact O-CB 3.48Å; Y294-A298 PolarHBondContact O-N 3.44Å; Y294-A298 VanDerWaalsContact O-N 3.13Å
295V92.1Very high82.3Confident0 Ų058.1 Ų58.10%029%0.293CS..Hα-helixtrans-68.8-38.8-179.7171.70000111.4R254 L255 K258 L261 S265 A291 E292 S293R254-V295 HydrophobicContact CB-CG1 3.63Å; L255-V295 HydrophobicContact CD2-CG1 4.19Å; K258-V295 HydrophobicContact CB-CG2 4.07Å; L261-V295 HydrophobicContact CB-CG2 4.21Å; S265-V295 WeakPolarHBondContact OG-CA 3.42Å; A291-V295 WeakPolarHBondContact O-CB 3.47Å; A291-V295 VanDerWaalsContact O-CG2 3.22Å; A291-V295 WeakPolarHBondContact O-CG2 3.39Å; A291-V295 PolarHBondContact O-N 2.91Å; E292-V295 PolarHBondContact O-N 3.13Å; S293-V295 PolarHBondContact O-N 3.2Å
296A91.4Very high84.7Confident7 Ų752.5 Ų52.56%0.05825%0.252CS..Hα-helixtrans-67.8-53.517600000111.7E292 S293 A298 M299E292-A296 WeakPolarHBondContact O-CB 3.41Å; E292-A296 PolarHBondContact O-N 3.01Å; S293-A296 PolarHBondContact O-N 3.11Å; A296-A298 PolarHBondContact O-N 3.21Å; A296-M299 VanDerWaalsContact O-CB 3.27Å; A296-M299 WeakPolarHBondContact O-CB 3.05Å; A296-M299 PolarHBondContact O-N 3.42Å
297S91.3Very high86.8Confident31 Ų3148.6 Ų48.622%0.21723%0.231CC..Hα-helixtrans-62.8-28.6-178.2-59.10000112.8S293 M299 E300S293-S297 VanDerWaalsContact O-CB 3.31Å; S293-S297 WeakPolarHBondContact O-CB 3.28Å; S293-S297 PolarHBondContact O-N 3.43Å; S293-S297 PolarHBondContact O-OG 2.79Å; S297-M299 PolarHBondContact O-N 3.13Å; S297-M299 VanDerWaalsContact O-N 3.16Å; S297-E300 WeakPolarHBondContact O-CB 3.48Å; S297-E300 PolarHBondContact O-N 3.11Å
298A93.6Very high88.8Confident0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-61.9-20.4175.400000113S265 V268 L269 Y294 A296 E300 L301 I302S265-A298 WeakPolarHBondContact OG-CB 3.45Å; V268-A298 HydrophobicContact CG1-CB 4.45Å; L269-A298 HydrophobicContact CG-CB 4.33Å; Y294-A298 WeakPolarHBondContact O-CB 3.48Å; Y294-A298 PolarHBondContact O-N 3.44Å; Y294-A298 VanDerWaalsContact O-N 3.13Å; A296-A298 PolarHBondContact O-N 3.21Å; A298-E300 VanDerWaalsContact C-N 3.28Å; A298-E300 PolarHBondContact O-N 3.34Å; A298-L301 PolarHBondContact O-N 3.02Å; A298-I302 HydrophobicContact CB-CD1 4.48Å; A298-I302 WeakPolarHBondContact O-CD1 3.38Å; A298-I302 VanDerWaalsContact O-CG1 3.23Å; A298-I302 WeakPolarHBondContact O-CG1 3.41Å; A298-I302 PolarHBondContact O-N 3.26Å; A298-I302 VanDerWaalsContact O-N 3.1Å
299M94.6Very high90.9Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-63.7-31.4176.4-71.8-56.1-56.900113.1P247 V250 H251 A296 S297 I302 C303 Y403P247-M299 HydrophobicContact CB-CE 4.2Å; V250-M299 HydrophobicContact CB-CE 4.39Å; V250-M299 HydrophobicContact CG1-CE 4.11Å; V250-M299 HydrophobicContact CG1-SD 4.08Å; H251-M299 HydrophobicContact CB-CG 4.27Å; A296-M299 VanDerWaalsContact O-CB 3.27Å; A296-M299 WeakPolarHBondContact O-CB 3.05Å; A296-M299 PolarHBondContact O-N 3.42Å; S297-M299 PolarHBondContact O-N 3.13Å; S297-M299 VanDerWaalsContact O-N 3.16Å; M299-I302 PolarHBondContact O-N 2.78Å; M299-I302 HydrophobicContact SD-CD1 4.14Å; M299-C303 WeakPolarHBondContact O-CB 3.4Å; M299-C303 PolarHBondContact O-N 3.01Å; M299-Y403 HydrophobicContact CB-CD2 4.47Å
300E92.6Very high92.3Very high30 Ų3027.8 Ų27.814%0.1414%0.144CC..Hα-helixtrans-54.9-60.4175-173.1-172.4-162.800109.8K272 S297 A298 I302 C303 D304 Y403K272-E300 IonicContact NZ-OE1 2.81Å; K272-E300 PolarHBondContact NZ-OE1 2.85Å; K272-E300 IonicContact NZ-OE2 2.94Å; K272-E300 PolarHBondContact NZ-OE2 3.22Å; S297-E300 WeakPolarHBondContact O-CB 3.48Å; S297-E300 PolarHBondContact O-N 3.11Å; A298-E300 VanDerWaalsContact C-N 3.28Å; A298-E300 PolarHBondContact O-N 3.34Å; E300-I302 VanDerWaalsContact C-N 3.31Å; E300-I302 PolarHBondContact O-N 3.04Å; E300-C303 PolarHBondContact O-N 3.49Å; E300-D304 VanDerWaalsContact O-CG 3.31Å; E300-D304 PolarHBondContact O-N 2.98Å; E300-Y403 HydrophobicContact CB-CD1 4.2Å; E300-Y403 HydrophobicContact CB-CD2 4.07Å; E300-Y403 HydrophobicContact CB-CE2 4.39Å; E300-Y403 HydrophobicContact CB-CG 3.99Å; E300-Y403 HydrophobicContact CG-CD1 4.16Å; E300-Y403 HydrophobicContact CG-CG 4.37Å
301L92.8Very high93.1Very high14 Ų1424.8 Ų24.87%0.07314%0.136CC..Hα-helixtrans-66.7-30.7-179.2-72.481.7000113.3V268 L269 K272 A298 C303 N305V268-L301 HydrophobicContact CG1-CB 3.94Å; V268-L301 HydrophobicContact CG1-CD2 4.37Å; V268-L301 VanDerWaalsContact O-CD2 3.3Å; V268-L301 WeakPolarHBondContact O-CD2 3.07Å; L269-L301 HydrophobicContact CD2-CD1 3.91Å; K272-L301 HydrophobicContact CB-CD2 4.03Å; K272-L301 HydrophobicContact CD-CD1 4.29Å; A298-L301 PolarHBondContact O-N 3.02Å; L301-C303 VanDerWaalsContact C-N 3.35Å; L301-N305 WeakPolarHBondContact O-CB 3.49Å; L301-N305 VanDerWaalsContact O-CG 3.24Å; L301-N305 PolarHBondContact O-N 3.33Å; L301-N305 PolarHBondContact O-ND2 3.3Å
302I95.1Very high93.5Very high4 Ų424 Ų242%0.02113%0.129CC..Hα-helixtrans-63.9-44.5175.9-73.1166000110.1T89 A298 M299 E300 N305 W306T89-I302 HydrophobicContact CG2-CG2 3.77Å; A298-I302 HydrophobicContact CB-CD1 4.48Å; A298-I302 WeakPolarHBondContact O-CD1 3.38Å; A298-I302 VanDerWaalsContact O-CG1 3.23Å; A298-I302 WeakPolarHBondContact O-CG1 3.41Å; A298-I302 PolarHBondContact O-N 3.26Å; A298-I302 VanDerWaalsContact O-N 3.1Å; M299-I302 PolarHBondContact O-N 2.78Å; M299-I302 HydrophobicContact SD-CD1 4.14Å; E300-I302 VanDerWaalsContact C-N 3.31Å; E300-I302 PolarHBondContact O-N 3.04Å; I302-N305 PolarHBondContact O-N 2.87Å; I302-W306 HydrophobicContact CG2-CD2 4.28Å; I302-W306 HydrophobicContact CG2-CE3 4.47Å; I302-W306 PolarHBondContact O-N 3.39Å
303C95.9Very high93.8Very high2 Ų222.3 Ų22.31%0.01412%0.122CC..Hα-helixtrans-71.9-37178.7-72.70000112.3M299 E300 L301 N305 W306 L307 C404 V407M299-C303 WeakPolarHBondContact O-CB 3.4Å; M299-C303 PolarHBondContact O-N 3.01Å; E300-C303 PolarHBondContact O-N 3.49Å; L301-C303 VanDerWaalsContact C-N 3.35Å; C303-N305 VanDerWaalsContact C-N 3.32Å; C303-N305 PolarHBondContact O-N 3.1Å; C303-W306 PolarHBondContact O-N 3.33Å; C303-L307 PolarHBondContact O-N 3.45Å; C303-C404 HydrophobicContact CB-CB 3.77Å; C303-C404 WeakPolarHBondContact CB-SG 3.47Å; C303-C404 WeakPolarHBondContact SG-CB 3.27Å; C303-C404 CovalentContact SG-SG 2.02Å; C303-C404 PolarHBondContact SG-SG 3.36Å; C303-V407 HydrophobicContact CB-CG2 4.16Å; C303-V407 WeakPolarHBondContact O-CG2 3.24Å
304D94.3Very high94Very high84 Ų8426.3 Ų26.345%0.44914%0.139SC..Hα-helixtrans-58.6-44.8172.2-68.3-20.4000111.5E300 L307 S308E300-D304 VanDerWaalsContact O-CG 3.31Å; E300-D304 PolarHBondContact O-N 2.98Å; D304-L307 PolarHBondContact O-N 2.83Å; D304-S308 PolarHBondContact O-N 3.32Å
305N94.3Very high94.2Very high37 Ų3728 Ų2820%0.19815%0.151CC..Hα-helixtrans-66.6-41.7177.1-75.2-40.5000112.3L222 L301 I302 C303 L307 S308 D309L222-N305 WeakPolarHBondContact O-CB 3.19Å; L301-N305 WeakPolarHBondContact O-CB 3.49Å; L301-N305 VanDerWaalsContact O-CG 3.24Å; L301-N305 PolarHBondContact O-N 3.33Å; L301-N305 PolarHBondContact O-ND2 3.3Å; I302-N305 PolarHBondContact O-N 2.87Å; C303-N305 VanDerWaalsContact C-N 3.32Å; C303-N305 PolarHBondContact O-N 3.1Å; N305-L307 VanDerWaalsContact C-N 3.27Å; N305-L307 PolarHBondContact O-N 2.77Å; N305-S308 WeakPolarHBondContact O-CB 3.49Å; N305-S308 PolarHBondContact O-N 3.08Å; N305-D309 WeakPolarHBondContact O-CB 3.38Å; N305-D309 PolarHBondContact O-N 2.84Å
306W96.8Very high94.3Very high9 Ų928.2 Ų28.23%0.03415%0.153CC..Hα-helixtrans-57.9-41.3172.9-81.2-10.3000112.6T89 T92 F244 P247 V250 I302 C303 M310 V407T89-W306 HydrophobicContact CG2-CH2 4.32Å; T89-W306 HydrophobicContact CG2-CZ2 3.53Å; T92-W306 HydrophobicContact CG2-CH2 4.16Å; T92-W306 HydrophobicContact CG2-CZ2 3.65Å; F244-W306 AromaticContact CD1-CD2 3.97Å; F244-W306 HydrophobicContact CD1-CD2 3.97Å; F244-W306 AromaticContact CD1-CE2 4Å; F244-W306 HydrophobicContact CD1-CE3 4.46Å; F244-W306 HydrophobicContact CD1-CG 4.07Å; F244-W306 HydrophobicContact CD1-CZ2 4.41Å; F244-W306 HydrophobicContact CE1-CB 3.99Å; F244-W306 AromaticContact CE1-CD1 3.84Å; F244-W306 HydrophobicContact CE1-CD2 4.17Å; F244-W306 AromaticContact CE1-CG 3.76Å; F244-W306 HydrophobicContact CE1-CG 3.76Å; P247-W306 HydrophobicContact CG-CZ3 4.14Å; V250-W306 HydrophobicContact CG2-CH2 4.17Å; I302-W306 HydrophobicContact CG2-CD2 4.28Å; I302-W306 HydrophobicContact CG2-CE3 4.47Å; I302-W306 PolarHBondContact O-N 3.39Å; C303-W306 PolarHBondContact O-N 3.33Å; W306-M310 VanDerWaalsContact O-CG 3.28Å; W306-M310 WeakPolarHBondContact O-CG 3.4Å; W306-M310 PolarHBondContact O-N 2.92Å; W306-V407 HydrophobicContact CB-CG1 4.31Å; W306-V407 HydrophobicContact CB-CG2 4.11Å; W306-V407 HydrophobicContact CE3-CG1 3.82Å; W306-V407 HydrophobicContact CZ3-CG1 4.49Å
307L95.8Very high94.5Very high33 Ų3329.3 Ų29.317%0.17316%0.159CC..Hα-helixtrans-65.9-44.5176.1-175.458.9000111.5C303 D304 N305 D309 M310 M311 E406 V407C303-L307 PolarHBondContact O-N 3.45Å; D304-L307 PolarHBondContact O-N 2.83Å; N305-L307 VanDerWaalsContact C-N 3.27Å; N305-L307 PolarHBondContact O-N 2.77Å; L307-D309 VanDerWaalsContact C-N 3.34Å; L307-D309 PolarHBondContact O-N 3.42Å; L307-M310 PolarHBondContact O-N 2.95Å; L307-M311 HydrophobicContact CD1-CE 3.86Å; L307-M311 HydrophobicContact CD2-CE 4Å; L307-M311 HydrophobicContact CG-CE 3.76Å; L307-M311 HydrophobicContact CG-SD 4.33Å; L307-M311 WeakPolarHBondContact O-CG 3.22Å; L307-M311 PolarHBondContact O-N 3.35Å; L307-E406 HydrophobicContact CD1-CB 4.41Å; L307-E406 HydrophobicContact CD1-CG 3.52Å; L307-E406 HydrophobicContact CD2-CB 4.03Å; L307-E406 HydrophobicContact CD2-CG 3.69Å; L307-E406 HydrophobicContact CG-CG 4.26Å; L307-V407 HydrophobicContact CB-CG2 3.94Å
308S94.6Very high94.7Very high40 Ų4031.9 Ų31.928%0.2818%0.176SC..Hα-helixtrans-58-45.4175.4-173.90000111.8D304 N305 M310 M311 L312D304-S308 PolarHBondContact O-N 3.32Å; N305-S308 WeakPolarHBondContact O-CB 3.49Å; N305-S308 PolarHBondContact O-N 3.08Å; S308-M310 PolarHBondContact O-N 2.68Å; S308-M311 PolarHBondContact O-N 2.9Å; S308-L312 WeakPolarHBondContact O-CB 3.47Å; S308-L312 PolarHBondContact O-N 3.46Å
309D95.8Very high94.5Very high1 Ų136 Ų361%0.00519%0.191CC..Hα-helixtrans-61.1-44.1176.9-68.3-12.8000111.7H87 L224 Q242 N305 L307 L312 V313H87-D309 IonicContact CD2-OD2 3.29Å; H87-D309 IonicContact CE1-OD2 3.22Å; H87-D309 IonicContact NE2-OD2 3.13Å; H87-D309 PolarHBondContact NE2-OD2 3.38Å; L224-D309 HydrophobicContact CB-CB 4.02Å; L224-D309 VanDerWaalsContact CB-CG 3.46Å; L224-D309 WeakPolarHBondContact CB-OD1 3.35Å; L224-D309 HydrophobicContact CD2-CB 4.21Å; L224-D309 PolarHBondContact N-OD1 3.26Å; Q242-D309 PolarHBondContact NE2-OD2 3.05Å; N305-D309 WeakPolarHBondContact O-CB 3.38Å; N305-D309 PolarHBondContact O-N 2.84Å; L307-D309 VanDerWaalsContact C-N 3.34Å; L307-D309 PolarHBondContact O-N 3.42Å; D309-L312 PolarHBondContact O-N 3.06Å; D309-V313 WeakPolarHBondContact O-CG2 3.47Å; D309-V313 PolarHBondContact O-N 3.47Å
310M95.4Very high94.4Very high10 Ų1036.3 Ų36.35%0.04919%0.193CC..Hα-helixtrans-61.5-45.8176.4-71.7179.9-161.600111.4F244 W306 L307 S308 V313 M314 V407 Q410 L411F244-M310 HydrophobicContact CD1-CE 3.63Å; F244-M310 HydrophobicContact CE1-CE 3.22Å; F244-M310 HydrophobicContact CE1-CG 4.49Å; F244-M310 HydrophobicContact CE2-CE 4.22Å; F244-M310 HydrophobicContact CG-CE 4.27Å; F244-M310 HydrophobicContact CZ-CE 3.53Å; F244-M310 HydrophobicContact CZ-CG 4.09Å; W306-M310 VanDerWaalsContact O-CG 3.28Å; W306-M310 WeakPolarHBondContact O-CG 3.4Å; W306-M310 PolarHBondContact O-N 2.92Å; L307-M310 PolarHBondContact O-N 2.95Å; S308-M310 PolarHBondContact O-N 2.68Å; M310-V313 PolarHBondContact O-N 2.88Å; M310-M314 WeakPolarHBondContact O-CB 3.44Å; M310-M314 VanDerWaalsContact O-CG 3.23Å; M310-M314 WeakPolarHBondContact O-CG 3.2Å; M310-M314 PolarHBondContact O-N 3.18Å; M310-V407 HydrophobicContact CE-CG1 4Å; M310-Q410 HydrophobicContact SD-CB 3.75Å; M310-Q410 HydrophobicContact SD-CG 4.31Å; M310-L411 HydrophobicContact CE-CD1 3.9Å; M310-L411 HydrophobicContact CE-CD2 3.64Å; M310-L411 HydrophobicContact CE-CG 3.71Å
311M94.9Very high94.6Very high65 Ų6539.5 Ų39.532%0.3221%0.206SC..Hα-helixtrans-62.7-42.5177.8-71.9178.3176.900111.8L49 L307 S308 V313 M314 N315L49-M311 HydrophobicContact CD2-SD 3.48Å; L49-M311 WeakPolarHBondContact CD2-SD 3.26Å; L307-M311 HydrophobicContact CD1-CE 3.86Å; L307-M311 HydrophobicContact CD2-CE 4Å; L307-M311 HydrophobicContact CG-CE 3.76Å; L307-M311 HydrophobicContact CG-SD 4.33Å; L307-M311 WeakPolarHBondContact O-CG 3.22Å; L307-M311 PolarHBondContact O-N 3.35Å; S308-M311 PolarHBondContact O-N 2.9Å; M311-V313 VanDerWaalsContact C-N 3.34Å; M311-V313 PolarHBondContact O-N 2.02Å; M311-M314 PolarHBondContact O-N 3.3Å; M311-N315 WeakPolarHBondContact O-CB 3.48Å; M311-N315 PolarHBondContact O-N 3.37Å; M311-N315 VanDerWaalsContact O-N 3.1Å; M311-N315 PolarHBondContact O-ND2 2.98Å
312L94.6Very high94.7Very high8 Ų847.3 Ų47.34%0.04224%0.235CC..Hα-helixtrans-56.7-48.5176179.467.5000110.9V53 L56 W57 L224 V228 S308 D309 N315 A316V53-L312 HydrophobicContact CG1-CD1 4.11Å; L56-L312 HydrophobicContact CD1-CD1 3.87Å; W57-L312 HydrophobicContact CH2-CD1 4.44Å; W57-L312 HydrophobicContact CZ2-CD1 3.58Å; W57-L312 HydrophobicContact CZ2-CG 4Å; L224-L312 HydrophobicContact CB-CD2 4.02Å; L224-L312 HydrophobicContact CD2-CD2 4.2Å; L224-L312 HydrophobicContact CG-CD2 4.06Å; V228-L312 HydrophobicContact CG2-CD2 4.46Å; S308-L312 WeakPolarHBondContact O-CB 3.47Å; S308-L312 PolarHBondContact O-N 3.46Å; D309-L312 PolarHBondContact O-N 3.06Å; L312-N315 PolarHBondContact O-N 3.29Å; L312-A316 WeakPolarHBondContact O-CB 3.41Å; L312-A316 PolarHBondContact O-N 3.43Å; L312-A316 VanDerWaalsContact O-N 3.08Å
313V95.1Very high94.7Very high18 Ų1849 Ų4911%0.10924%0.244CC..Hα-helixtrans-70.7-39.6-179174.80000112.1L224 D309 M310 M311 N315 A316 K321 Y324L224-V313 HydrophobicContact CD2-CG2 3.46Å; L224-V313 VanDerWaalsContact CD2-CG2 3.46Å; D309-V313 WeakPolarHBondContact O-CG2 3.47Å; D309-V313 PolarHBondContact O-N 3.47Å; M310-V313 PolarHBondContact O-N 2.88Å; M311-V313 VanDerWaalsContact C-N 3.34Å; M311-V313 PolarHBondContact O-N 2.02Å; V313-N315 PolarHBondContact O-N 2.92Å; V313-A316 VanDerWaalsContact O-CB 3.31Å; V313-A316 WeakPolarHBondContact O-CB 3.28Å; V313-A316 PolarHBondContact O-N 3.48Å; V313-A316 VanDerWaalsContact O-N 3.1Å; V313-K321 WeakPolarHBondContact O-CE 3.23Å; V313-Y324 HydrophobicContact CB-CE1 4.36Å; V313-Y324 HydrophobicContact CG1-CD1 3.55Å; V313-Y324 HydrophobicContact CG1-CE1 3.69Å; V313-Y324 HydrophobicContact CG1-CG 4.01Å; V313-Y324 HydrophobicContact CG2-CD1 4.25Å; V313-Y324 HydrophobicContact CG2-CD2 3.85Å; V313-Y324 HydrophobicContact CG2-CE1 4.12Å; V313-Y324 HydrophobicContact CG2-CE2 3.71Å; V313-Y324 HydrophobicContact CG2-CG 4.11Å
314M93.4Very high94.8Very high112 Ų11250.2 Ų50.255%0.55225%0.249SC*.Hα-helixtrans-57.1-41.3176.6-78.5177.864.300111.4M310 M311 A316 K321M310-M314 WeakPolarHBondContact O-CB 3.44Å; M310-M314 VanDerWaalsContact O-CG 3.23Å; M310-M314 WeakPolarHBondContact O-CG 3.2Å; M310-M314 PolarHBondContact O-N 3.18Å; M311-M314 PolarHBondContact O-N 3.3Å; M314-A316 VanDerWaalsContact C-N 3.34Å; M314-K321 VanDerWaalsContact O-CE 3.23Å; M314-K321 WeakPolarHBondContact O-CE 3.02Å; M314-K321 PolarHBondContact O-NZ 3.17Å
315N93.3Very high95Very high83 Ų8347.1 Ų47.144%0.44423%0.232SC..THydrogen-bonded Turntrans-914.9-179.8-63.4-30.7000113.4V53 M311 L312 V313V53-N315 HydrophobicContact CG1-CB 3.9Å; M311-N315 WeakPolarHBondContact O-CB 3.48Å; M311-N315 PolarHBondContact O-N 3.37Å; M311-N315 VanDerWaalsContact O-N 3.1Å; M311-N315 PolarHBondContact O-ND2 2.98Å; L312-N315 PolarHBondContact O-N 3.29Å; V313-N315 PolarHBondContact O-N 2.92Å
316A94.6Very high95.2Very high4 Ų451.2 Ų51.23%0.03324%0.244CC..SBendtrans-77.1151.8-177.100000112.7W57 L312 V313 M314 V320 K321W57-A316 HydrophobicContact CH2-CB 4.18Å; W57-A316 HydrophobicContact CZ2-CB 3.61Å; L312-A316 WeakPolarHBondContact O-CB 3.41Å; L312-A316 PolarHBondContact O-N 3.43Å; L312-A316 VanDerWaalsContact O-N 3.08Å; V313-A316 VanDerWaalsContact O-CB 3.31Å; V313-A316 WeakPolarHBondContact O-CB 3.28Å; V313-A316 PolarHBondContact O-N 3.48Å; V313-A316 VanDerWaalsContact O-N 3.1Å; M314-A316 VanDerWaalsContact C-N 3.34Å; A316-V320 HydrophobicContact CB-CB 3.75Å; A316-V320 HydrophobicContact CB-CG1 3.65Å; A316-V320 HydrophobicContact CB-CG2 4.3Å; A316-K321 HydrophobicContact CB-CG 4.34Å; A316-K321 WeakPolarHBondContact O-CD 3.38Å; A316-K321 WeakPolarHBondContact O-CE 3.02Å; A316-K321 PolarHBondContact O-NZ 3.12Å
317P95.2Very high95.2Very high30 Ų3050.9 Ų50.920%0.19524%0.243CC..  trans-65.5160.9173.927.1-35.7000112.2W57 W319 V320 K321W57-P317 VanDerWaalsContact CD2-CD 3.41Å; W57-P317 HydrophobicContact CD2-CG 4.08Å; W57-P317 HydrophobicContact CE3-CG 3.94Å; W57-P317 HydrophobicContact CG-CG 4.39Å; W57-P317 HydrophobicContact CZ3-CG 4.49Å; P317-W319 HydrophobicContact CG-CD2 4.44Å; P317-W319 HydrophobicContact CG-CG 4.42Å; P317-W319 HydrophobicContact CG-CZ2 4.14Å; P317-W319 PolarHBondContact O-N 3.01Å; P317-W319 VanDerWaalsContact O-N 3.08Å; P317-V320 HydrophobicContact CG-CG2 3.84Å; P317-V320 PolarHBondContact O-N 2.86Å; P317-K321 PolarHBondContact O-N 2.84Å
318P95.1Very high95.4Very high86 Ų8652.7 Ų52.756%0.55825%0.248SC*.Hα-helixtrans-57.5-28.5-175.4-27.835.6000115.2R322P318-R322 WeakPolarHBondContact O-CB 3.42Å; P318-R322 VanDerWaalsContact O-CG 3.28Å; P318-R322 WeakPolarHBondContact O-CG 3.23Å; P318-R322 PolarHBondContact O-N 3.09Å; P318-R322 VanDerWaalsContact O-N 3.1Å; P318-R322 PolarHBondContact O-NE 2.83Å; P318-R322 VanDerWaalsContact O-NE 3.07Å
319W90.7Very high95.5Very high87 Ų8751.7 Ų51.733%0.3324%0.238SC..Hα-helixtrans-70.6-31.7178.767.7-99.1000112.8W57 M231 R232 P317 N323W57-W319 HydrophobicContact CE3-CZ2 4.02Å; W57-W319 HydrophobicContact CZ3-CH2 4.06Å; W57-W319 AromaticContact CZ3-CZ2 3.91Å; W57-W319 HydrophobicContact CZ3-CZ2 3.91Å; M231-W319 HydrophobicContact CB-CH2 4.31Å; M231-W319 HydrophobicContact CB-CZ3 3.84Å; M231-W319 HydrophobicContact CE-CZ3 4.46Å; R232-W319 HydrophobicContact CG-CH2 3.8Å; R232-W319 HydrophobicContact CG-CZ2 4.3Å; P317-W319 HydrophobicContact CG-CD2 4.44Å; P317-W319 HydrophobicContact CG-CG 4.42Å; P317-W319 HydrophobicContact CG-CZ2 4.14Å; P317-W319 PolarHBondContact O-N 3.01Å; P317-W319 VanDerWaalsContact O-N 3.08Å; W319-N323 PolarHBondContact O-ND2 3.33Å
320V93.1Very high95.6Very high5 Ų552.4 Ų52.43%0.0324%0.241CC..Hα-helixtrans-73.5-47.7174175.40000110W57 M231 A316 P317 R322 N323 Y324W57-V320 HydrophobicContact CE3-CG2 4.13Å; W57-V320 HydrophobicContact CH2-CB 4.3Å; W57-V320 HydrophobicContact CH2-CG1 3.96Å; W57-V320 HydrophobicContact CH2-CG2 3.52Å; W57-V320 HydrophobicContact CZ2-CG2 4.41Å; W57-V320 HydrophobicContact CZ3-CG2 3.35Å; M231-V320 HydrophobicContact CE-CB 4.32Å; M231-V320 HydrophobicContact CE-CG1 3.87Å; M231-V320 HydrophobicContact CE-CG2 4.49Å; M231-V320 HydrophobicContact SD-CG1 4.29Å; A316-V320 HydrophobicContact CB-CB 3.75Å; A316-V320 HydrophobicContact CB-CG1 3.65Å; A316-V320 HydrophobicContact CB-CG2 4.3Å; P317-V320 HydrophobicContact CG-CG2 3.84Å; P317-V320 PolarHBondContact O-N 2.86Å; V320-R322 PolarHBondContact O-N 2.63Å; V320-N323 CarbonylContact O-C 3.23Å; V320-N323 WeakPolarHBondContact O-CA 3.4Å; V320-N323 PolarHBondContact O-N 3.27Å; V320-Y324 PolarHBondContact O-N 2.99Å
321K95Very high95.7Very high98 Ų9853 Ų5343%0.42625%0.245SC..Hα-helixtrans-58.3-37.1-179.2-71.9175.4171.3160.10112.1V313 M314 A316 P317 N323 Y324V313-K321 WeakPolarHBondContact O-CE 3.23Å; M314-K321 VanDerWaalsContact O-CE 3.23Å; M314-K321 WeakPolarHBondContact O-CE 3.02Å; M314-K321 PolarHBondContact O-NZ 3.17Å; A316-K321 HydrophobicContact CB-CG 4.34Å; A316-K321 WeakPolarHBondContact O-CD 3.38Å; A316-K321 WeakPolarHBondContact O-CE 3.02Å; A316-K321 PolarHBondContact O-NZ 3.12Å; P317-K321 PolarHBondContact O-N 2.84Å; K321-N323 VanDerWaalsContact C-N 3.26Å; K321-N323 PolarHBondContact O-N 3.21Å; K321-Y324 PolarHBondContact O-N 2.87Å
322R95.2Very high95.9Very high178 Ų17850 Ų5067%0.67223%0.23SC*.Hα-helixtrans-65.4-27.3174.9-79.7-179.3-82.8-155.92.4113.7P318 V320P318-R322 WeakPolarHBondContact O-CB 3.42Å; P318-R322 VanDerWaalsContact O-CG 3.28Å; P318-R322 WeakPolarHBondContact O-CG 3.23Å; P318-R322 PolarHBondContact O-N 3.09Å; P318-R322 VanDerWaalsContact O-N 3.1Å; P318-R322 PolarHBondContact O-NE 2.83Å; P318-R322 VanDerWaalsContact O-NE 3.07Å; V320-R322 PolarHBondContact O-N 2.63Å
323N96.4Very high96Very high40 Ų4049.8 Ų49.821%0.21423%0.229CC..THydrogen-bonded Turntrans-102.416.2-179.8-71.8-35.5000112.8M231 Q239 I240 W319 V320 K321M231-N323 HydrophobicContact CE-CB 3.94Å; Q239-N323 CarbonylContact C-O 3.59Å; Q239-N323 WeakPolarHBondContact CA-O 3.31Å; I240-N323 PolarHBondContact N-O 3.15Å; W319-N323 PolarHBondContact O-ND2 3.33Å; V320-N323 CarbonylContact O-C 3.23Å; V320-N323 WeakPolarHBondContact O-CA 3.4Å; V320-N323 PolarHBondContact O-N 3.27Å; K321-N323 VanDerWaalsContact C-N 3.26Å; K321-N323 PolarHBondContact O-N 3.21Å
324Y98.2Very high96.1Very high27 Ų2752.9 Ų52.911%0.10624%0.244CC..EExtended strand (participates in β ladder)trans-127.6132.6179.4175.4-86.4000111.1L224 I240 Q242 V313 V320 K321 R326L224-Y324 HydrophobicContact CD2-CD2 4.41Å; L224-Y324 HydrophobicContact CD2-CE2 4.04Å; I240-Y324 HydrophobicContact CB-CD2 4.11Å; I240-Y324 HydrophobicContact CG2-CD2 4Å; I240-Y324 HydrophobicContact CG2-CE2 4.28Å; I240-Y324 CarbonylContact O-C 3.58Å; I240-Y324 WeakPolarHBondContact O-CA 3.38Å; Q242-Y324 HydrophobicContact CB-CE2 3.69Å; Q242-Y324 WeakPolarHBondContact CB-OH 3.36Å; Q242-Y324 PolarHBondContact OE1-OH 3.48Å; V313-Y324 HydrophobicContact CB-CE1 4.36Å; V313-Y324 HydrophobicContact CG1-CD1 3.55Å; V313-Y324 HydrophobicContact CG1-CE1 3.69Å; V313-Y324 HydrophobicContact CG1-CG 4.01Å; V313-Y324 HydrophobicContact CG2-CD1 4.25Å; V313-Y324 HydrophobicContact CG2-CD2 3.85Å; V313-Y324 HydrophobicContact CG2-CE1 4.12Å; V313-Y324 HydrophobicContact CG2-CE2 3.71Å; V313-Y324 HydrophobicContact CG2-CG 4.11Å; V320-Y324 PolarHBondContact O-N 2.99Å; K321-Y324 PolarHBondContact O-N 2.87Å; Y324-R326 HydrophobicContact CE1-CB 3.93Å
325L98.2Very high96.2Very high18 Ų1852.6 Ų52.69%0.09424%0.237CC..EExtended strand (participates in β ladder)trans-124.7122.2175.5-179.764.2000110.8I240 I241 Q242 L343 F346I240-L325 PolarHBondContact O-N 3.43Å; I241-L325 CarbonylContact C-O 3.38Å; I241-L325 WeakPolarHBondContact CA-O 3.2Å; I241-L325 HydrophobicContact CG1-CB 4.32Å; I241-L325 HydrophobicContact CG1-CD2 4.46Å; I241-L325 HydrophobicContact CG2-CD2 4.44Å; Q242-L325 PolarHBondContact N-O 3.16Å; L325-L343 HydrophobicContact CD2-CD2 3.52Å; L325-L343 HydrophobicContact CD2-CG 4.47Å; L325-F346 HydrophobicContact CB-CD1 3.91Å; L325-F346 HydrophobicContact CB-CD2 4.2Å; L325-F346 HydrophobicContact CB-CE1 3.71Å; L325-F346 HydrophobicContact CB-CE2 4.01Å; L325-F346 HydrophobicContact CB-CG 4.15Å; L325-F346 HydrophobicContact CB-CZ 3.76Å; L325-F346 HydrophobicContact CD2-CB 4.03Å; L325-F346 HydrophobicContact CD2-CD1 3.82Å; L325-F346 HydrophobicContact CD2-CE1 4.43Å; L325-F346 HydrophobicContact CD2-CG 3.88Å; L325-F346 HydrophobicContact CG-CD1 4.49Å
326R97.6Very high96.4Very high124 Ų12449 Ų4947%0.46822%0.218SC..EExtended strand (participates in β ladder)trans-87.7128.2170.1-177.4173.370.8171.53.8110.6F244 Y324 R342F244-R326 HydrophobicContact CD2-CG 3.83Å; F244-R326 HydrophobicContact CE2-CG 3.79Å; Y324-R326 HydrophobicContact CE1-CB 3.93Å; R326-R342 PolarHBondContact O-NH2 3.47Å
327L98.1Very high96.5Very high2 Ų252.7 Ų52.71%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-130137177.9-179.165.1000111L97 Q242 L243 F244 L332 E339 L343L97-L327 HydrophobicContact CD1-CD2 3.94Å; L97-L327 HydrophobicContact CD2-CD2 4.16Å; Q242-L327 PolarHBondContact O-N 3.21Å; L243-L327 WeakPolarHBondContact CA-O 3.28Å; L243-L327 HydrophobicContact CD1-CB 4.32Å; L243-L327 HydrophobicContact CD1-CD2 3.89Å; L243-L327 HydrophobicContact CD1-CG 3.92Å; F244-L327 PolarHBondContact N-O 3.42Å; L327-L332 HydrophobicContact CD1-CB 4.38Å; L327-L332 HydrophobicContact CD2-CB 4.3Å; L327-L332 HydrophobicContact CD2-CD1 4.4Å; L327-L332 HydrophobicContact CD2-CD2 4.09Å; L327-L332 HydrophobicContact CD2-CG 4.49Å; L327-L332 HydrophobicContact CG-CB 4.49Å; L327-E339 HydrophobicContact CD1-CB 4.5Å; L327-E339 HydrophobicContact CD1-CG 4.36Å; L327-E339 VanDerWaalsContact CD1-OE2 3.28Å; L327-E339 WeakPolarHBondContact CD1-OE2 3.23Å; L327-L343 HydrophobicContact CD2-CD1 3.92Å; L327-L343 HydrophobicContact CD2-CD2 3.91Å; L327-L343 HydrophobicContact CD2-CG 4.38Å
328R98.1Very high96.6Very high71 Ų7156.5 Ų56.527%0.26825%0.251SS..EExtended strand (participates in β ladder)trans-98.6139.1167.1-52.8-170.8-50.7166.712.3109.8F244 E330 D331 L332 L411F244-R328 CarbonylContact O-C 3.58Å; F244-R328 WeakPolarHBondContact O-CA 3.37Å; R328-E330 VanDerWaalsContact C-N 3.26Å; R328-E330 PolarHBondContact O-N 2.95Å; R328-D331 WeakPolarHBondContact CB-OD2 3.28Å; R328-D331 IonicContact CZ-OD1 3.45Å; R328-D331 IonicContact CZ-OD2 3.83Å; R328-D331 IonicContact NE-OD1 3.89Å; R328-D331 IonicContact NE-OD2 2.75Å; R328-D331 PolarHBondContact NE-OD2 2.99Å; R328-D331 IonicContact NH2-OD1 3.3Å; R328-D331 PolarHBondContact NH2-OD1 2.84Å; R328-D331 IonicContact NH2-OD2 3.06Å; R328-D331 PolarHBondContact NH2-OD2 3.21Å; R328-D331 PolarHBondContact O-N 2.83Å; R328-L332 PolarHBondContact O-N 3.4Å; R328-L332 VanDerWaalsContact O-N 3.14Å; R328-L411 PolarHBondContact NH1-O 3.45Å
329Y98.3Very high96.7Very high18 Ų1853 Ų537%0.07123%0.227CC..Hα-helixtrans-62.2-36.8179.5177.4-108.5000111.9T92 F96 F244 R245 D331 L332 V333 A384 I385T92-Y329 WeakPolarHBondContact O-CB 3.41Å; T92-Y329 VanDerWaalsContact O-CD2 3.32Å; T92-Y329 WeakPolarHBondContact O-CD2 3.37Å; T92-Y329 VanDerWaalsContact O-CG 3.28Å; F96-Y329 HydrophobicContact CD1-CE2 4.42Å; F244-Y329 WeakPolarHBondContact O-CB 3.36Å; F244-Y329 PolarHBondContact O-N 3.37Å; R245-Y329 HydrophobicContact CG-CD1 3.89Å; R245-Y329 HydrophobicContact CG-CG 4.23Å; Y329-D331 VanDerWaalsContact C-N 3.35Å; Y329-D331 PolarHBondContact O-N 2.85Å; Y329-L332 WeakPolarHBondContact O-CB 3.43Å; Y329-L332 PolarHBondContact O-N 2.78Å; Y329-V333 HydrophobicContact CD1-CG1 4.41Å; Y329-V333 HydrophobicContact CD2-CG1 3.97Å; Y329-V333 HydrophobicContact CE1-CG1 3.93Å; Y329-V333 HydrophobicContact CE1-CG2 4.29Å; Y329-V333 HydrophobicContact CE2-CG1 3.39Å; Y329-V333 HydrophobicContact CG-CG1 4.45Å; Y329-V333 WeakPolarHBondContact O-CG2 3.48Å; Y329-V333 PolarHBondContact O-N 3.16Å; Y329-A384 HydrophobicContact CE1-CB 4.39Å; Y329-I385 HydrophobicContact CD1-CG2 4Å; Y329-I385 HydrophobicContact CE1-CG2 3.95Å
330E97.8Very high97.1Very high16 Ų1648.8 Ų48.88%0.07521%0.211CC..Hα-helixtrans-59.5-45.5178.1-65.171.8-164.800110.8R245 D246 R328 V333 L334 I385 Y413R245-E330 WeakPolarHBondContact CG-OE1 3.08Å; D246-E330 WeakPolarHBondContact CB-OE1 3.03Å; D246-E330 PolarHBondContact N-OE1 3.3Å; R328-E330 VanDerWaalsContact C-N 3.26Å; R328-E330 PolarHBondContact O-N 2.95Å; E330-V333 PolarHBondContact O-N 3.17Å; E330-L334 WeakPolarHBondContact O-CB 3.47Å; E330-L334 WeakPolarHBondContact O-CG 3.22Å; E330-L334 PolarHBondContact O-N 3.18Å; E330-I385 HydrophobicContact CG-CB 4.37Å; E330-I385 HydrophobicContact CG-CG2 4.08Å; E330-Y413 PolarHBondContact OE2-OH 3.1Å
331D97.7Very high97.3Very high24 Ų2452.1 Ų52.113%0.12823%0.226CC..Hα-helixtrans-64.5-45.3175.5-62.1-43.5000110.6R328 Y329 V333 L334 R335 E339R328-D331 WeakPolarHBondContact CB-OD2 3.28Å; R328-D331 IonicContact CZ-OD1 3.45Å; R328-D331 IonicContact CZ-OD2 3.83Å; R328-D331 IonicContact NE-OD1 3.89Å; R328-D331 IonicContact NE-OD2 2.75Å; R328-D331 PolarHBondContact NE-OD2 2.99Å; R328-D331 IonicContact NH2-OD1 3.3Å; R328-D331 PolarHBondContact NH2-OD1 2.84Å; R328-D331 IonicContact NH2-OD2 3.06Å; R328-D331 PolarHBondContact NH2-OD2 3.21Å; R328-D331 PolarHBondContact O-N 2.83Å; Y329-D331 VanDerWaalsContact C-N 3.35Å; Y329-D331 PolarHBondContact O-N 2.85Å; D331-V333 VanDerWaalsContact C-N 3.29Å; D331-V333 PolarHBondContact O-N 3.13Å; D331-L334 PolarHBondContact O-N 2.99Å; D331-R335 PolarHBondContact O-N 2.91Å; D331-R335 IonicContact OD1-NH2 3.35Å; D331-R335 PolarHBondContact OD1-NH2 2.83Å; D331-E339 HydrophobicContact CB-CG 4.07Å
332L97.9Very high97.5Very high1 Ų152.4 Ų52.41%0.00523%0.225CC..Hα-helixtrans-58.7-37.6180178.163.4000112.8F96 L97 L100 L327 R328 Y329 P336 E339 L343F96-L332 HydrophobicContact CD1-CD2 3.9Å; F96-L332 HydrophobicContact CD1-CG 4.18Å; F96-L332 HydrophobicContact CE1-CD1 4.4Å; F96-L332 HydrophobicContact CE1-CD2 4.1Å; F96-L332 HydrophobicContact CE1-CG 3.88Å; L97-L332 HydrophobicContact CB-CD2 4Å; L97-L332 HydrophobicContact CD1-CD2 4.18Å; L100-L332 HydrophobicContact CD1-CD1 3.89Å; L327-L332 HydrophobicContact CD1-CB 4.38Å; L327-L332 HydrophobicContact CD2-CB 4.3Å; L327-L332 HydrophobicContact CD2-CD1 4.4Å; L327-L332 HydrophobicContact CD2-CD2 4.09Å; L327-L332 HydrophobicContact CD2-CG 4.49Å; L327-L332 HydrophobicContact CG-CB 4.49Å; R328-L332 PolarHBondContact O-N 3.4Å; R328-L332 VanDerWaalsContact O-N 3.14Å; Y329-L332 WeakPolarHBondContact O-CB 3.43Å; Y329-L332 PolarHBondContact O-N 2.78Å; L332-P336 WeakPolarHBondContact O-CA 3.38Å; L332-E339 HydrophobicContact CD1-CB 4.07Å; L332-L343 HydrophobicContact CD1-CD1 3.96Å
333V96.8Very high97.6Very high4 Ų444 Ų442%0.02419%0.193CC..Hα-helixtrans-91.7-28.2-177.3-59.90000113.9F96 Y329 E330 D331 T363 A381 I385F96-V333 HydrophobicContact CD1-CG1 4.14Å; F96-V333 HydrophobicContact CE1-CG1 4.1Å; Y329-V333 HydrophobicContact CD1-CG1 4.41Å; Y329-V333 HydrophobicContact CD2-CG1 3.97Å; Y329-V333 HydrophobicContact CE1-CG1 3.93Å; Y329-V333 HydrophobicContact CE1-CG2 4.29Å; Y329-V333 HydrophobicContact CE2-CG1 3.39Å; Y329-V333 HydrophobicContact CG-CG1 4.45Å; Y329-V333 WeakPolarHBondContact O-CG2 3.48Å; Y329-V333 PolarHBondContact O-N 3.16Å; E330-V333 PolarHBondContact O-N 3.17Å; D331-V333 VanDerWaalsContact C-N 3.29Å; D331-V333 PolarHBondContact O-N 3.13Å; V333-T363 HydrophobicContact CB-CG2 4.12Å; V333-T363 HydrophobicContact CG1-CG2 4.3Å; V333-A381 HydrophobicContact CB-CB 3.75Å; V333-A381 HydrophobicContact CG2-CB 3.84Å; V333-I385 HydrophobicContact CG2-CG2 3.75Å
334L96.6Very high97.7Very high82 Ų8242.1 Ų42.143%0.42918%0.183SC..Hα-helixtrans-82.1-31.3178.1-67.3174.5000112.3E330 D331 P336 I385E330-L334 WeakPolarHBondContact O-CB 3.47Å; E330-L334 WeakPolarHBondContact O-CG 3.22Å; E330-L334 PolarHBondContact O-N 3.18Å; D331-L334 PolarHBondContact O-N 2.99Å; L334-P336 VanDerWaalsContact C-CD 3.42Å; L334-I385 HydrophobicContact CD1-CD1 3.87Å; L334-I385 HydrophobicContact CD2-CD1 3.9Å; L334-I385 HydrophobicContact CG-CD1 4.01Å
335R97.1Very high97.7Very high107 Ų10749.5 Ų49.540%0.40421%0.211SC..SBendtrans-128.759.9179.4-63.3177-68.2156.6-4.9110.6D331 M337 E338 E339D331-R335 PolarHBondContact O-N 2.91Å; D331-R335 IonicContact OD1-NH2 3.35Å; D331-R335 PolarHBondContact OD1-NH2 2.83Å; R335-M337 VanDerWaalsContact C-N 3.33Å; R335-M337 PolarHBondContact O-N 3.11Å; R335-E338 HydrophobicContact CB-CB 4.28Å; R335-E338 WeakPolarHBondContact CD-OE2 3.45Å; R335-E338 IonicContact NH1-OE2 2.98Å; R335-E338 PolarHBondContact NH1-OE2 3.2Å; R335-E338 PolarHBondContact O-N 2.91Å; R335-E339 PolarHBondContact O-N 2.77Å
336P96.8Very high97.6Very high7 Ų750.7 Ų50.75%0.04522%0.215CC..Hα-helixtrans-62.2-35.7-168.224.8-35.2000113.8L332 L334 L340 A359 L360 T363L332-P336 WeakPolarHBondContact O-CA 3.38Å; L334-P336 VanDerWaalsContact C-CD 3.42Å; P336-L340 WeakPolarHBondContact O-CB 3.46Å; P336-L340 PolarHBondContact O-N 3.26Å; P336-A359 HydrophobicContact CB-CB 4.19Å; P336-L360 HydrophobicContact CG-CD1 3.99Å; P336-T363 HydrophobicContact CB-CG2 4.17Å; P336-T363 HydrophobicContact CG-CG2 4.43Å
337M96.5Very high97.6Very high82 Ų8244.8 Ų44.840%0.40419%0.193SC..Hα-helixtrans-71.7-45.6179.8-62.8-177.8-68.800111.9R335 L340 Q341 E356R335-M337 VanDerWaalsContact C-N 3.33Å; R335-M337 PolarHBondContact O-N 3.11Å; M337-L340 PolarHBondContact O-N 3.17Å; M337-Q341 WeakPolarHBondContact O-CG 3.36Å; M337-Q341 PolarHBondContact O-N 3Å; M337-E356 HydrophobicContact CG-CB 4.21Å; M337-E356 HydrophobicContact SD-CB 4.47Å
338E97.5Very high97.5Very high110 Ų11050.9 Ų50.951%0.51423%0.226SC..Hα-helixtrans-62.5-47.9178.5-66.4175.4-15900111.4R335 Q341 R342R335-E338 HydrophobicContact CB-CB 4.28Å; R335-E338 WeakPolarHBondContact CD-OE2 3.45Å; R335-E338 IonicContact NH1-OE2 2.98Å; R335-E338 PolarHBondContact NH1-OE2 3.2Å; R335-E338 PolarHBondContact O-N 2.91Å; E338-Q341 PolarHBondContact O-N 3.42Å; E338-R342 WeakPolarHBondContact O-CB 3.32Å; E338-R342 PolarHBondContact O-N 3.43Å
339E98.1Very high97.4Very high11 Ų1148.2 Ų48.25%0.05122%0.217CC..Hα-helixtrans-69.1-34.8179.7-69.2-59.614900111.8L327 D331 L332 R335 R342 L343L327-E339 HydrophobicContact CD1-CB 4.5Å; L327-E339 HydrophobicContact CD1-CG 4.36Å; L327-E339 VanDerWaalsContact CD1-OE2 3.28Å; L327-E339 WeakPolarHBondContact CD1-OE2 3.23Å; D331-E339 HydrophobicContact CB-CG 4.07Å; L332-E339 HydrophobicContact CD1-CB 4.07Å; R335-E339 PolarHBondContact O-N 2.77Å; E339-R342 PolarHBondContact O-N 3.28Å; E339-R342 IonicContact OE1-NH1 3.92Å; E339-R342 IonicContact OE2-CZ 3.88Å; E339-R342 IonicContact OE2-NH1 2.94Å; E339-R342 PolarHBondContact OE2-NH1 3.43Å; E339-L343 VanDerWaalsContact O-CB 3.32Å; E339-L343 WeakPolarHBondContact O-CB 3.38Å; E339-L343 WeakPolarHBondContact O-CD1 3.27Å; E339-L343 WeakPolarHBondContact O-CG 3.42Å; E339-L343 PolarHBondContact O-N 3.1Å
340L98.1Very high97.3Very high0 Ų051.5 Ų51.50%024%0.242CC..Hα-helixtrans-59.3-49172.1177.572.4000111.3L100 P336 M337 R342 L343 F344 T351 L355 E356 A359L100-L340 HydrophobicContact CB-CD1 4.23Å; L100-L340 HydrophobicContact CD1-CD1 4.23Å; L100-L340 HydrophobicContact CD2-CD1 4.39Å; P336-L340 WeakPolarHBondContact O-CB 3.46Å; P336-L340 PolarHBondContact O-N 3.26Å; M337-L340 PolarHBondContact O-N 3.17Å; L340-R342 VanDerWaalsContact C-N 3.33Å; L340-R342 PolarHBondContact O-N 2.96Å; L340-L343 PolarHBondContact O-N 3.37Å; L340-F344 HydrophobicContact CD1-CD1 3.68Å; L340-F344 HydrophobicContact CD1-CE1 3.4Å; L340-F344 VanDerWaalsContact CD1-CE1 3.4Å; L340-F344 HydrophobicContact CD1-CE2 4.37Å; L340-F344 HydrophobicContact CD1-CG 4.31Å; L340-F344 HydrophobicContact CD1-CZ 3.79Å; L340-F344 HydrophobicContact CG-CD1 4.4Å; L340-F344 WeakPolarHBondContact O-CB 3.19Å; L340-F344 WeakPolarHBondContact O-CD1 3.35Å; L340-F344 PolarHBondContact O-N 3.08Å; L340-T351 HydrophobicContact CD2-CG2 4.4Å; L340-T351 HydrophobicContact CG-CG2 4.13Å; L340-L355 HydrophobicContact CD1-CD2 4.18Å; L340-L355 HydrophobicContact CD1-CG 4.35Å; L340-L355 HydrophobicContact CD2-CB 4.47Å; L340-L355 HydrophobicContact CD2-CD2 4.15Å; L340-L355 HydrophobicContact CD2-CG 3.83Å; L340-E356 HydrophobicContact CD2-CG 3.97Å; L340-A359 HydrophobicContact CD2-CB 4.13Å
341Q98.1Very high97.2Very high74 Ų7453 Ų5335%0.34625%0.252SS..Hα-helixtrans-60.8-42.2177.9-72.4175.8-2.100111.9M337 E338 R345 T351 E356M337-Q341 WeakPolarHBondContact O-CG 3.36Å; M337-Q341 PolarHBondContact O-N 3Å; E338-Q341 PolarHBondContact O-N 3.42Å; Q341-R345 WeakPolarHBondContact O-CB 3.36Å; Q341-R345 PolarHBondContact O-N 2.98Å; Q341-T351 HydrophobicContact CB-CG2 4.49Å; Q341-T351 HydrophobicContact CG-CG2 4.06Å; Q341-E356 PolarHBondContact NE2-OE1 3.42Å
342R98.1Very high97.1Very high105 Ų10554.6 Ų54.640%0.39626%0.258SS..Hα-helixtrans-62.9-45.4176.1-179.8179.2166.8-142-2.7112.1R326 E338 E339 L340 F346R326-R342 PolarHBondContact O-NH2 3.47Å; E338-R342 WeakPolarHBondContact O-CB 3.32Å; E338-R342 PolarHBondContact O-N 3.43Å; E339-R342 PolarHBondContact O-N 3.28Å; E339-R342 IonicContact OE1-NH1 3.92Å; E339-R342 IonicContact OE2-CZ 3.88Å; E339-R342 IonicContact OE2-NH1 2.94Å; E339-R342 PolarHBondContact OE2-NH1 3.43Å; L340-R342 VanDerWaalsContact C-N 3.33Å; L340-R342 PolarHBondContact O-N 2.96Å; R342-F346 PolarHBondContact O-N 3.45Å; R342-F346 VanDerWaalsContact O-N 3.11Å
343L98Very high97.1Very high1 Ų158.5 Ų58.51%0.00528%0.284CS..Hα-helixtrans-62-47.1178.2-74.8163.9000111.5L97 I241 L325 L327 L332 E339 L340 F346 S347L97-L343 HydrophobicContact CD1-CD1 3.65Å; L97-L343 HydrophobicContact CD1-CD2 4.36Å; I241-L343 HydrophobicContact CD1-CD2 4.07Å; I241-L343 HydrophobicContact CG2-CD2 3.81Å; L325-L343 HydrophobicContact CD2-CD2 3.52Å; L325-L343 HydrophobicContact CD2-CG 4.47Å; L327-L343 HydrophobicContact CD2-CD1 3.92Å; L327-L343 HydrophobicContact CD2-CD2 3.91Å; L327-L343 HydrophobicContact CD2-CG 4.38Å; L332-L343 HydrophobicContact CD1-CD1 3.96Å; E339-L343 VanDerWaalsContact O-CB 3.32Å; E339-L343 WeakPolarHBondContact O-CB 3.38Å; E339-L343 WeakPolarHBondContact O-CD1 3.27Å; E339-L343 WeakPolarHBondContact O-CG 3.42Å; E339-L343 PolarHBondContact O-N 3.1Å; L340-L343 PolarHBondContact O-N 3.37Å; L343-F346 WeakPolarHBondContact O-CB 3.3Å; L343-F346 PolarHBondContact O-N 3.13Å; L343-S347 PolarHBondContact O-N 2.63Å; L343-S347 PolarHBondContact O-OG 3Å
344F98Very high97.1Very high1 Ų159.9 Ų59.90%0.00430%0.296CS..Hα-helixtrans-73.6-36.5-173.9-82.842000110.9F101 H104 L340 F346 S347 N348 L349 T351 L355F101-F344 HydrophobicContact CD1-CE1 4.15Å; F101-F344 HydrophobicContact CD1-CZ 4.33Å; F101-F344 HydrophobicContact CE1-CD1 4.41Å; F101-F344 HydrophobicContact CE1-CE1 4.02Å; F101-F344 HydrophobicContact CZ-CE1 4.28Å; H104-F344 HydrophobicContact CB-CE2 4.06Å; H104-F344 HydrophobicContact CB-CZ 4.45Å; H104-F344 AromaticContact CD2-CE2 3.56Å; L340-F344 HydrophobicContact CD1-CD1 3.68Å; L340-F344 HydrophobicContact CD1-CE1 3.4Å; L340-F344 VanDerWaalsContact CD1-CE1 3.4Å; L340-F344 HydrophobicContact CD1-CE2 4.37Å; L340-F344 HydrophobicContact CD1-CG 4.31Å; L340-F344 HydrophobicContact CD1-CZ 3.79Å; L340-F344 HydrophobicContact CG-CD1 4.4Å; L340-F344 WeakPolarHBondContact O-CB 3.19Å; L340-F344 WeakPolarHBondContact O-CD1 3.35Å; L340-F344 PolarHBondContact O-N 3.08Å; F344-F346 VanDerWaalsContact C-N 3.34Å; F344-F346 PolarHBondContact O-N 3.25Å; F344-S347 CarbonylContact O-C 3.4Å; F344-S347 PolarHBondContact O-N 3.08Å; F344-S347 VanDerWaalsContact O-N 3.11Å; F344-N348 PolarHBondContact O-N 2.88Å; F344-L349 CarbonylContact C-O 3.57Å; F344-L349 HydrophobicContact CB-CB 4.02Å; F344-L349 HydrophobicContact CD2-CB 3.71Å; F344-L349 HydrophobicContact CD2-CD1 4.28Å; F344-L349 HydrophobicContact CE2-CB 4.41Å; F344-L349 HydrophobicContact CE2-CD1 4.28Å; F344-L349 HydrophobicContact CG-CB 4.05Å; F344-L349 PolarHBondContact O-N 2.99Å; F344-T351 HydrophobicContact CB-CG2 3.72Å; F344-T351 HydrophobicContact CD2-CG2 4.05Å; F344-T351 HydrophobicContact CG-CG2 4.01Å; F344-L355 HydrophobicContact CD2-CD2 3.99Å; F344-L355 HydrophobicContact CE2-CD2 3.24Å; F344-L355 HydrophobicContact CZ-CD2 3.69Å
345R97.7Very high97.1Very high182 Ų18256 Ų5669%0.68728%0.275SS*.Hα-helixtrans-58.6-44.5170-173.1-174-57.6157.14.6112.1Q341 S347 N348Q341-R345 WeakPolarHBondContact O-CB 3.36Å; Q341-R345 PolarHBondContact O-N 2.98Å; R345-S347 PolarHBondContact O-N 3.44Å; R345-N348 PolarHBondContact O-N 2.92Å
346F97.6Very high97.1Very high42 Ų4252.7 Ų52.718%0.18427%0.265CS..Hα-helixtrans-60.8-36.3175.7171.4-99.6000112.1Q239 I241 L325 R342 L343 F344Q239-F346 HydrophobicContact CB-CE1 3.92Å; Q239-F346 HydrophobicContact CB-CZ 4.17Å; Q239-F346 HydrophobicContact CG-CE1 4.37Å; Q239-F346 HydrophobicContact CG-CZ 4.42Å; Q239-F346 PolarHBondContact NE2-O 3.22Å; I241-F346 HydrophobicContact CD1-CD1 4.3Å; I241-F346 HydrophobicContact CD1-CE1 4.44Å; I241-F346 HydrophobicContact CG1-CD1 4.18Å; I241-F346 HydrophobicContact CG1-CE1 3.9Å; L325-F346 HydrophobicContact CB-CD1 3.91Å; L325-F346 HydrophobicContact CB-CD2 4.2Å; L325-F346 HydrophobicContact CB-CE1 3.71Å; L325-F346 HydrophobicContact CB-CE2 4.01Å; L325-F346 HydrophobicContact CB-CG 4.15Å; L325-F346 HydrophobicContact CB-CZ 3.76Å; L325-F346 HydrophobicContact CD2-CB 4.03Å; L325-F346 HydrophobicContact CD2-CD1 3.82Å; L325-F346 HydrophobicContact CD2-CE1 4.43Å; L325-F346 HydrophobicContact CD2-CG 3.88Å; L325-F346 HydrophobicContact CG-CD1 4.49Å; R342-F346 PolarHBondContact O-N 3.45Å; R342-F346 VanDerWaalsContact O-N 3.11Å; L343-F346 WeakPolarHBondContact O-CB 3.3Å; L343-F346 PolarHBondContact O-N 3.13Å; F344-F346 VanDerWaalsContact C-N 3.34Å; F344-F346 PolarHBondContact O-N 3.25Å
347S96.8Very high97.1Very high0 Ų059.7 Ų59.70%029%0.29CS..THydrogen-bonded Turntrans-88.89.6179.9-65.40000115.4I84 Q239 L343 F344 R345 L349I84-S347 VanDerWaalsContact CD1-OG 3.26Å; I84-S347 WeakPolarHBondContact CD1-OG 3.39Å; Q239-S347 PolarHBondContact OE1-OG 3.21Å; L343-S347 PolarHBondContact O-N 2.63Å; L343-S347 PolarHBondContact O-OG 3Å; F344-S347 CarbonylContact O-C 3.4Å; F344-S347 PolarHBondContact O-N 3.08Å; F344-S347 VanDerWaalsContact O-N 3.11Å; R345-S347 PolarHBondContact O-N 3.44Å; S347-L349 PolarHBondContact O-N 3.08Å
348N95.9Very high97.1Very high130 Ų13056.7 Ų56.770%0.69528%0.275SS*.THydrogen-bonded Turntrans52.832.8-174.9-62.2-32.2000113.7F344 R345F344-N348 PolarHBondContact O-N 2.88Å; R345-N348 PolarHBondContact O-N 2.92Å
349L96.9Very high97.1Very high16 Ų1651.5 Ų51.58%0.08425%0.251CS..  trans-104.2151.9174.7-69.1175.4000110.2F101 V107 V213 F344 S347F101-L349 HydrophobicContact CD1-CD1 4.03Å; F101-L349 HydrophobicContact CE1-CD1 3.93Å; V107-L349 HydrophobicContact CG2-CD1 3.65Å; V107-L349 HydrophobicContact CG2-CD2 4.27Å; V213-L349 HydrophobicContact CB-CD2 4.34Å; V213-L349 HydrophobicContact CG2-CD2 3.61Å; V213-L349 HydrophobicContact CG2-CG 4.31Å; F344-L349 CarbonylContact C-O 3.57Å; F344-L349 HydrophobicContact CB-CB 4.02Å; F344-L349 HydrophobicContact CD2-CB 3.71Å; F344-L349 HydrophobicContact CD2-CD1 4.28Å; F344-L349 HydrophobicContact CE2-CB 4.41Å; F344-L349 HydrophobicContact CE2-CD1 4.28Å; F344-L349 HydrophobicContact CG-CB 4.05Å; F344-L349 PolarHBondContact O-N 2.99Å; S347-L349 PolarHBondContact O-N 3.08Å
350S95.9Very high97Very high87 Ų8753.6 Ų53.661%0.60826%0.262SS*.  trans-91.2139.7175-62.10000110.5H104H104-S350 PolarHBondContact CD2-O 3.47Å; H104-S350 PolarHBondContact NE2-O 2.98Å
351T95.9Very high96.9Very high46 Ų4658.7 Ų58.728%0.28229%0.289SS..  trans-89.3155.7165.1590000110.2L340 Q341 F344L340-T351 HydrophobicContact CD2-CG2 4.4Å; L340-T351 HydrophobicContact CG-CG2 4.13Å; Q341-T351 HydrophobicContact CB-CG2 4.49Å; Q341-T351 HydrophobicContact CG-CG2 4.06Å; F344-T351 HydrophobicContact CB-CG2 3.72Å; F344-T351 HydrophobicContact CD2-CG2 4.05Å; F344-T351 HydrophobicContact CG-CG2 4.01Å
352F95.7Very high96.7Very high58 Ų5855.9 Ų55.925%0.25428%0.276SS..  trans-146.8156.5175.146-92000110.2H104 I185 A354 L355 E356H104-F352 AromaticContact CD2-CE1 3.72Å; H104-F352 AromaticContact NE2-CE1 3.96Å; I185-F352 HydrophobicContact CD1-CE2 3.58Å; I185-F352 HydrophobicContact CD1-CZ 3.74Å; I185-F352 HydrophobicContact CG1-CE2 3.74Å; I185-F352 HydrophobicContact CG1-CZ 4.41Å; F352-A354 HydrophobicContact CD2-CB 4.07Å; F352-A354 HydrophobicContact CE2-CB 4.31Å; F352-A354 PolarHBondContact O-N 2.67Å; F352-L355 HydrophobicContact CD2-CB 3.92Å; F352-L355 HydrophobicContact CE1-CD2 4.4Å; F352-L355 HydrophobicContact CE2-CB 3.67Å; F352-L355 HydrophobicContact CG-CB 4.45Å; F352-L355 HydrophobicContact CZ-CB 3.98Å; F352-L355 HydrophobicContact CZ-CD2 4.34Å; F352-L355 WeakPolarHBondContact O-CB 3.35Å; F352-L355 PolarHBondContact O-N 3.31Å; F352-E356 PolarHBondContact O-N 3.1Å
353P96.8Very high96.5Very high83 Ų8351.2 Ų51.254%0.53926%0.259SS..Hα-helixtrans-58.7-29-167.1-29.236.1000115.3R357P353-R357 WeakPolarHBondContact O-CB 3.45Å; P353-R357 WeakPolarHBondContact O-CG 3.23Å; P353-R357 PolarHBondContact O-N 3.49Å; P353-R357 VanDerWaalsContact O-N 3.14Å; P353-R357 PolarHBondContact O-NE 3.15Å
354A96.8Very high96.3Very high34 Ų3457.5 Ų57.528%0.28129%0.289SS..Hα-helixtrans-69.3-37.1177.200000112.1I185 F352 F358I185-A354 HydrophobicContact CB-CB 4.44Å; I185-A354 HydrophobicContact CG1-CB 4Å; F352-A354 HydrophobicContact CD2-CB 4.07Å; F352-A354 HydrophobicContact CE2-CB 4.31Å; F352-A354 PolarHBondContact O-N 2.67Å; A354-F358 WeakPolarHBondContact O-CB 3.39Å; A354-F358 PolarHBondContact O-N 2.95Å
355L96.4Very high95.7Very high0 Ų058.2 Ų58.20%030%0.296CS..Hα-helixtrans-72.7-38.2178.3-17463.3000112Q103 L340 F344 F352 F358 A359Q103-L355 HydrophobicContact CB-CD1 3.45Å; Q103-L355 VanDerWaalsContact CB-CD1 3.45Å; Q103-L355 HydrophobicContact CG-CD1 4.23Å; L340-L355 HydrophobicContact CD1-CD2 4.18Å; L340-L355 HydrophobicContact CD1-CG 4.35Å; L340-L355 HydrophobicContact CD2-CB 4.47Å; L340-L355 HydrophobicContact CD2-CD2 4.15Å; L340-L355 HydrophobicContact CD2-CG 3.83Å; F344-L355 HydrophobicContact CD2-CD2 3.99Å; F344-L355 HydrophobicContact CE2-CD2 3.24Å; F344-L355 HydrophobicContact CZ-CD2 3.69Å; F352-L355 HydrophobicContact CD2-CB 3.92Å; F352-L355 HydrophobicContact CE1-CD2 4.4Å; F352-L355 HydrophobicContact CE2-CB 3.67Å; F352-L355 HydrophobicContact CG-CB 4.45Å; F352-L355 HydrophobicContact CZ-CB 3.98Å; F352-L355 HydrophobicContact CZ-CD2 4.34Å; F352-L355 WeakPolarHBondContact O-CB 3.35Å; F352-L355 PolarHBondContact O-N 3.31Å; L355-F358 HydrophobicContact CD1-CD1 4.48Å; L355-F358 WeakPolarHBondContact O-CB 3.49Å; L355-F358 PolarHBondContact O-N 3.37Å; L355-A359 PolarHBondContact O-N 3.25Å
356E96.9Very high94.6Very high38 Ų3858.2 Ų58.218%0.17830%0.304CS..Hα-helixtrans-63.2-44.3174.8-68.4175.6169.900111.4M337 L340 Q341 F352 F358 A359 L360M337-E356 HydrophobicContact CG-CB 4.21Å; M337-E356 HydrophobicContact SD-CB 4.47Å; L340-E356 HydrophobicContact CD2-CG 3.97Å; Q341-E356 PolarHBondContact NE2-OE1 3.42Å; F352-E356 PolarHBondContact O-N 3.1Å; E356-F358 VanDerWaalsContact C-N 3.33Å; E356-F358 PolarHBondContact O-N 3.12Å; E356-A359 PolarHBondContact O-N 3.28Å; E356-L360 PolarHBondContact O-N 2.94Å
357R97.1Very high92.9Very high153 Ų15358.4 Ų58.458%0.57732%0.318SS*.Hα-helixtrans-60.5-40.9172-79.2178.6-81.7150.6-12.4112.2P353 L360 N361P353-R357 WeakPolarHBondContact O-CB 3.45Å; P353-R357 WeakPolarHBondContact O-CG 3.23Å; P353-R357 PolarHBondContact O-N 3.49Å; P353-R357 VanDerWaalsContact O-N 3.14Å; P353-R357 PolarHBondContact O-NE 3.15Å; R357-L360 PolarHBondContact O-N 3.43Å; R357-N361 VanDerWaalsContact O-CB 3.28Å; R357-N361 WeakPolarHBondContact O-CB 3.28Å; R357-N361 PolarHBondContact O-N 2.94Å; R357-N361 PolarHBondContact O-ND2 3.27Å; R357-N361 PolarHBondContact O-OD1 2.95Å
358F96.6Very high91.3Very high20 Ų2060.4 Ų60.49%0.08833%0.325CS..Hα-helixtrans-61.1-47.1175175.6-91.8000111.7E99 L100 Q103 I185 L187 A354 L355 E356 L360 N361 M362E99-F358 HydrophobicContact CG-CE1 4.23Å; E99-F358 HydrophobicContact CG-CZ 3.94Å; L100-F358 HydrophobicContact CD2-CD1 4.16Å; L100-F358 HydrophobicContact CD2-CE1 4.25Å; Q103-F358 HydrophobicContact CG-CD1 3.74Å; Q103-F358 HydrophobicContact CG-CD2 4.49Å; Q103-F358 HydrophobicContact CG-CE1 3.43Å; Q103-F358 VanDerWaalsContact CG-CE1 3.43Å; Q103-F358 HydrophobicContact CG-CE2 4.22Å; Q103-F358 HydrophobicContact CG-CG 4.27Å; Q103-F358 HydrophobicContact CG-CZ 3.69Å; I185-F358 HydrophobicContact CG2-CB 3.56Å; I185-F358 HydrophobicContact CG2-CD2 4.01Å; I185-F358 HydrophobicContact CG2-CG 3.84Å; L187-F358 HydrophobicContact CD2-CE2 4.36Å; L187-F358 HydrophobicContact CD2-CZ 4.03Å; L187-F358 HydrophobicContact CG-CE2 4.32Å; L187-F358 HydrophobicContact CG-CZ 4.47Å; A354-F358 WeakPolarHBondContact O-CB 3.39Å; A354-F358 PolarHBondContact O-N 2.95Å; L355-F358 HydrophobicContact CD1-CD1 4.48Å; L355-F358 WeakPolarHBondContact O-CB 3.49Å; L355-F358 PolarHBondContact O-N 3.37Å; E356-F358 VanDerWaalsContact C-N 3.33Å; E356-F358 PolarHBondContact O-N 3.12Å; F358-L360 VanDerWaalsContact C-N 3.34Å; F358-L360 PolarHBondContact O-N 2.86Å; F358-N361 PolarHBondContact O-N 3.48Å; F358-M362 HydrophobicContact CD1-CG 4.17Å; F358-M362 HydrophobicContact CD2-CG 4.38Å; F358-M362 HydrophobicContact CE1-CG 3.76Å; F358-M362 HydrophobicContact CE2-CG 3.99Å; F358-M362 HydrophobicContact CE2-SD 4.2Å; F358-M362 HydrophobicContact CG-CG 4.46Å; F358-M362 HydrophobicContact CZ-CG 3.66Å; F358-M362 HydrophobicContact CZ-SD 4.02Å; F358-M362 WeakPolarHBondContact O-CB 3.26Å; F358-M362 VanDerWaalsContact O-CG 3.26Å; F358-M362 WeakPolarHBondContact O-CG 3.18Å; F358-M362 PolarHBondContact O-N 3.29Å
359A97Very high89.8Confident0 Ų057 Ų570%031%0.312CS..Hα-helixtrans-59.8-44.5178.100000111.8L100 P336 L340 L355 E356 M362L100-A359 HydrophobicContact CD2-CB 3.69Å; P336-A359 HydrophobicContact CB-CB 4.19Å; L340-A359 HydrophobicContact CD2-CB 4.13Å; L355-A359 PolarHBondContact O-N 3.25Å; E356-A359 PolarHBondContact O-N 3.28Å; A359-M362 PolarHBondContact O-N 3.28Å
360L96.3Very high88.2Confident56 Ų5659.4 Ų59.429%0.29333%0.33SS..Hα-helixtrans-63.7-46.6176.3-174.169.4000112P336 E356 R357 F358 M362 T363 H364P336-L360 HydrophobicContact CG-CD1 3.99Å; E356-L360 PolarHBondContact O-N 2.94Å; R357-L360 PolarHBondContact O-N 3.43Å; F358-L360 VanDerWaalsContact C-N 3.34Å; F358-L360 PolarHBondContact O-N 2.86Å; L360-M362 VanDerWaalsContact C-N 3.27Å; L360-M362 PolarHBondContact O-N 3.46Å; L360-T363 PolarHBondContact O-N 3.5Å; L360-T363 VanDerWaalsContact O-N 3.13Å; L360-T363 PolarHBondContact O-OG1 3.27Å; L360-H364 WeakPolarHBondContact CD1-CE1 3.42Å; L360-H364 PolarHBondContact O-N 2.92Å; L360-H364 PolarHBondContact O-ND1 3.31Å
361N95.7Very high87Confident106 Ų10661.7 Ų61.757%0.56734%0.336SS*.Hα-helixtrans-64.3-33.4-179.2-74.1-8000112.1R357 F358 T363 H364 S378R357-N361 VanDerWaalsContact O-CB 3.28Å; R357-N361 WeakPolarHBondContact O-CB 3.28Å; R357-N361 PolarHBondContact O-N 2.94Å; R357-N361 PolarHBondContact O-ND2 3.27Å; R357-N361 PolarHBondContact O-OD1 2.95Å; F358-N361 PolarHBondContact O-N 3.48Å; N361-T363 PolarHBondContact O-N 2.89Å; N361-H364 PolarHBondContact O-N 3.44Å; N361-S378 WeakPolarHBondContact O-CB 3.39Å; N361-S378 PolarHBondContact O-OG 3.38Å
362M94.8Very high86.1Confident15 Ų1566 Ų667%0.07435%0.35CS..Hα-helixtrans-69.4-17.5177.7-74.4-65.1-68.600113.6F96 L187 F358 A359 L360 I376 S377 S378 R379F96-M362 HydrophobicContact CD2-CB 4.07Å; F96-M362 HydrophobicContact CD2-CE 4.48Å; F96-M362 HydrophobicContact CE2-CB 3.47Å; F96-M362 VanDerWaalsContact CE2-CB 3.47Å; F96-M362 HydrophobicContact CE2-CG 4.2Å; F96-M362 HydrophobicContact CZ-CB 4.23Å; L187-M362 HydrophobicContact CD1-CE 4.37Å; L187-M362 HydrophobicContact CD1-SD 4.18Å; L187-M362 HydrophobicContact CD2-CE 4.28Å; L187-M362 HydrophobicContact CD2-SD 4.49Å; L187-M362 HydrophobicContact CG-SD 4.42Å; F358-M362 HydrophobicContact CD1-CG 4.17Å; F358-M362 HydrophobicContact CD2-CG 4.38Å; F358-M362 HydrophobicContact CE1-CG 3.76Å; F358-M362 HydrophobicContact CE2-CG 3.99Å; F358-M362 HydrophobicContact CE2-SD 4.2Å; F358-M362 HydrophobicContact CG-CG 4.46Å; F358-M362 HydrophobicContact CZ-CG 3.66Å; F358-M362 HydrophobicContact CZ-SD 4.02Å; F358-M362 WeakPolarHBondContact O-CB 3.26Å; F358-M362 VanDerWaalsContact O-CG 3.26Å; F358-M362 WeakPolarHBondContact O-CG 3.18Å; F358-M362 PolarHBondContact O-N 3.29Å; A359-M362 PolarHBondContact O-N 3.28Å; L360-M362 VanDerWaalsContact C-N 3.27Å; L360-M362 PolarHBondContact O-N 3.46Å; M362-I376 HydrophobicContact CE-CG2 3.94Å; M362-S377 VanDerWaalsContact CE-C 3.49Å; M362-S377 WeakPolarHBondContact CE-O 3.36Å; M362-S378 WeakPolarHBondContact O-CA 3.22Å; M362-R379 PolarHBondContact O-N 2.94Å
363T94.4Very high85.3Confident7 Ų764.4 Ų64.44%0.04335%0.346CS..Hα-helixtrans-104.3-3.1179.963.30000114.3F96 V333 P336 L360 N361 R379 A381F96-T363 HydrophobicContact CE1-CG2 3.81Å; F96-T363 HydrophobicContact CZ-CG2 3.7Å; V333-T363 HydrophobicContact CB-CG2 4.12Å; V333-T363 HydrophobicContact CG1-CG2 4.3Å; P336-T363 HydrophobicContact CB-CG2 4.17Å; P336-T363 HydrophobicContact CG-CG2 4.43Å; L360-T363 PolarHBondContact O-N 3.5Å; L360-T363 VanDerWaalsContact O-N 3.13Å; L360-T363 PolarHBondContact O-OG1 3.27Å; N361-T363 PolarHBondContact O-N 2.89Å; T363-R379 CarbonylContact C-O 3.55Å; T363-R379 VanDerWaalsContact CA-O 3.27Å; T363-R379 WeakPolarHBondContact CA-O 3.31Å; T363-A381 PolarHBondContact O-N 3.19Å
364H92.6Very high84.6Confident134 Ų13464.7 Ų64.762%0.6234%0.339SS*.BIsolated β-bridgetrans-118.131.5-179.4-68.677.4000112.4L360 N361L360-H364 WeakPolarHBondContact CD1-CE1 3.42Å; L360-H364 PolarHBondContact O-N 2.92Å; L360-H364 PolarHBondContact O-ND1 3.31Å; N361-H364 PolarHBondContact O-N 3.44Å
365G86.3Confident84.1Confident16 Ų1666.4 Ų66.417%0.16534%0.343CS..PPolyproline II helixtrans-78.8170-179.500000114.3S378 R379 D380G365-S378 WeakPolarHBondContact CA-OG 3.34Å; G365-S378 PolarHBondContact N-OG 2.85Å; G365-R379 PolarHBondContact N-O 3.01Å; G365-D380 PolarHBondContact O-N 2.84Å
366Q75Confident83.7Confident182 Ų18268 Ų6885%0.8535%0.351SS*.PPolyproline II helixtrans-65.3151.9164.7-67.7-84.8-21.900110.1
367G62.4Low83.3Confident46 Ų4668.2 Ų68.247%0.47436%0.357SS..PPolyproline II helixtrans-57.8169.5-170.700000116.2E383G367-E383 WeakPolarHBondContact CA-OE2 3.46Å
368Y61.8Low83Confident41 Ų4162.9 Ų62.916%0.16134%0.343CS..PPolyproline II helixtrans-61.6128.8-167.6-172.3-74.2000115.1R91 K256 P373 E383R91-Y368 PolarHBondContact NH2-OH 3.3Å; K256-Y368 HydrophobicContact CD-CD1 4.18Å; K256-Y368 HydrophobicContact CD-CE1 3.51Å; K256-Y368 HydrophobicContact CG-CE1 4.47Å; Y368-P373 WeakPolarHBondContact OH-CA 3.5Å; Y368-P373 VanDerWaalsContact OH-CB 3.28Å; Y368-P373 WeakPolarHBondContact OH-CB 3.18Å; Y368-E383 PolarHBondContact N-OE2 3.17Å
369S64.4Low82.7Confident58 Ų5864.3 Ų64.341%0.40635%0.347SS..PPolyproline II helixtrans-83119.9166.81750000112.4D371S369-D371 VanDerWaalsContact C-N 3.26Å; S369-D371 PolarHBondContact O-N 3.39Å; S369-D371 PolarHBondContact OG-N 3.08Å
370S64.3Low82.4Confident67 Ų6767.4 Ų67.447%0.46936%0.364SS..SBendtrans-63.1-29.7174.241.90000113.9K372S370-K372 PolarHBondContact O-N 3.43Å
371D69.3Low82.1Confident136 Ų13665.2 Ų65.273%0.72735%0.354SS*.SBendtrans-80.6-23.2-163.2-50.7-25.1000112S369S369-D371 VanDerWaalsContact C-N 3.26Å; S369-D371 PolarHBondContact O-N 3.39Å; S369-D371 PolarHBondContact OG-N 3.08Å
372K77.9Confident82Confident136 Ų13666.9 Ų66.959%0.59136%0.356SS*.  trans-131.270.7178.8-61.2-177.2-178.6177.50110.8S370 F374 L375S370-K372 PolarHBondContact O-N 3.43Å; K372-F374 PolarHBondContact O-N 2.92Å; K372-F374 VanDerWaalsContact O-N 3.11Å; K372-L375 HydrophobicContact CB-CB 3.79Å; K372-L375 HydrophobicContact CB-CD2 4.29Å; K372-L375 HydrophobicContact CD-CD2 4.13Å; K372-L375 WeakPolarHBondContact O-CB 3.48Å; K372-L375 PolarHBondContact O-N 2.92Å
373P77.7Confident81.7Confident25 Ų2568.8 Ų68.816%0.16237%0.365CS..THydrogen-bonded Turntrans-62.7-27.5-169.822.2-32000113.9R91 S257 Y368 R379R91-P373 PolarHBondContact NH1-O 3.27Å; R91-P373 PolarHBondContact NH2-O 3.18Å; S257-P373 WeakPolarHBondContact OG-CB 3.22Å; Y368-P373 WeakPolarHBondContact OH-CA 3.5Å; Y368-P373 VanDerWaalsContact OH-CB 3.28Å; Y368-P373 WeakPolarHBondContact OH-CB 3.18Å; P373-R379 PolarHBondContact O-NH2 3.03Å
374F83.8Confident81.4Confident88 Ų8869.6 Ų69.639%0.38637%0.373SS..THydrogen-bonded Turntrans-94.6-2.4-180-60.9-83000114.3A260 L261 K372 I376A260-F374 HydrophobicContact CB-CE2 3.41Å; A260-F374 VanDerWaalsContact CB-CE2 3.41Å; A260-F374 HydrophobicContact CB-CZ 3.76Å; L261-F374 HydrophobicContact CD2-CE1 4.34Å; L261-F374 HydrophobicContact CD2-CZ 4.11Å; L261-F374 HydrophobicContact CG-CZ 4.26Å; K372-F374 PolarHBondContact O-N 2.92Å; K372-F374 VanDerWaalsContact O-N 3.11Å; F374-I376 PolarHBondContact O-N 2.83Å
375L85.3Confident81.4Confident71 Ų7163.4 Ų63.437%0.37234%0.344SS..  trans-64.4128.1176.3179.465.3000109.8K372 S377 R379K372-L375 HydrophobicContact CB-CB 3.79Å; K372-L375 HydrophobicContact CB-CD2 4.29Å; K372-L375 HydrophobicContact CD-CD2 4.13Å; K372-L375 WeakPolarHBondContact O-CB 3.48Å; K372-L375 PolarHBondContact O-N 2.92Å; L375-S377 PolarHBondContact O-N 3.49Å; L375-R379 PolarHBondContact O-NH2 2.97Å
376I88.5Confident81.8Confident34 Ų3467.8 Ų67.817%0.17436%0.356CS..  trans-76.6113.5169.9-54.2178000106.6E99 Y111 L187 M362 F374E99-I376 HydrophobicContact CB-CG2 4.19Å; E99-I376 HydrophobicContact CG-CG2 4.08Å; Y111-I376 HydrophobicContact CE2-CD1 4Å; L187-I376 HydrophobicContact CD2-CG2 4.11Å; M362-I376 HydrophobicContact CE-CG2 3.94Å; F374-I376 PolarHBondContact O-N 2.83Å
377S89.3Confident82.6Confident42 Ų4259.4 Ų59.429%0.29432%0.318SS..  trans-146.8160-179.658.10000109.1M362 L375M362-S377 VanDerWaalsContact CE-C 3.49Å; M362-S377 WeakPolarHBondContact CE-O 3.36Å; L375-S377 PolarHBondContact O-N 3.49Å
378S90.2Very high84.2Confident40 Ų4057.7 Ų57.728%0.2830%0.297SS..  trans-61.3136.7166.7176.80000109.7N361 M362 G365N361-S378 WeakPolarHBondContact O-CB 3.39Å; N361-S378 PolarHBondContact O-OG 3.38Å; M362-S378 WeakPolarHBondContact O-CA 3.22Å; G365-S378 WeakPolarHBondContact CA-OG 3.34Å; G365-S378 PolarHBondContact N-OG 2.85Å
379R89.3Confident85.7Confident50 Ų5063.2 Ų63.219%0.18932%0.318CS..  trans-143.2151.9-176.6-65.2-179.3-175.1-171.4-0.7110.5M362 T363 G365 P373 L375 A381M362-R379 PolarHBondContact O-N 2.94Å; T363-R379 CarbonylContact C-O 3.55Å; T363-R379 VanDerWaalsContact CA-O 3.27Å; T363-R379 WeakPolarHBondContact CA-O 3.31Å; G365-R379 PolarHBondContact N-O 3.01Å; P373-R379 PolarHBondContact O-NH2 3.03Å; L375-R379 PolarHBondContact O-NH2 2.97Å; R379-A381 PolarHBondContact O-N 3.41Å
380D91Very high87.1Confident66 Ų6669 Ų6935%0.35334%0.339SS..BIsolated β-bridgetrans-65.3118.9169.1-174.1-56.5000110.4G365 K382 E383 A384G365-D380 PolarHBondContact O-N 2.84Å; D380-K382 WeakPolarHBondContact OD1-CA 3.5Å; D380-K382 WeakPolarHBondContact OD1-CB 3.49Å; D380-K382 PolarHBondContact OD1-N 3.42Å; D380-E383 HydrophobicContact CB-CB 3.96Å; D380-E383 PolarHBondContact OD1-N 3.32Å; D380-A384 WeakPolarHBondContact O-CB 3.42Å; D380-A384 PolarHBondContact O-N 2.69Å
381A91.3Very high88.4Confident10 Ų1070.9 Ų70.98%0.08334%0.336CS..Hα-helixtrans-60.4-42.1179.300000113.5V333 T363 R379 A384 I385V333-A381 HydrophobicContact CB-CB 3.75Å; V333-A381 HydrophobicContact CG2-CB 3.84Å; T363-A381 PolarHBondContact O-N 3.19Å; R379-A381 PolarHBondContact O-N 3.41Å; A381-A384 WeakPolarHBondContact O-CB 3.34Å; A381-A384 PolarHBondContact O-N 3.06Å; A381-I385 WeakPolarHBondContact O-CG1 3.43Å; A381-I385 PolarHBondContact O-N 3.38Å
382K91.6Very high89.6Confident141 Ų14165 Ų6561%0.61330%0.304SS*.Hα-helixtrans-68.9-44-178.2-68.9-178.1178.81770110.6D380 A384 I385 Y386D380-K382 WeakPolarHBondContact OD1-CA 3.5Å; D380-K382 WeakPolarHBondContact OD1-CB 3.49Å; D380-K382 PolarHBondContact OD1-N 3.42Å; K382-A384 VanDerWaalsContact C-N 3.28Å; K382-A384 PolarHBondContact O-N 2.8Å; K382-I385 PolarHBondContact O-N 3.5Å; K382-Y386 HydrophobicContact CB-CD2 4.43Å; K382-Y386 WeakPolarHBondContact O-CB 3.37Å; K382-Y386 PolarHBondContact O-N 3.42Å
383E89.7Confident90.4Very high55 Ų5562.4 Ų62.426%0.25730%0.297SS..Hα-helixtrans-58.6-45.6173.6-162.4-152.1149.600109.8G367 Y368 D380 I385 A387 R391G367-E383 WeakPolarHBondContact CA-OE2 3.46Å; Y368-E383 PolarHBondContact N-OE2 3.17Å; D380-E383 HydrophobicContact CB-CB 3.96Å; D380-E383 PolarHBondContact OD1-N 3.32Å; E383-I385 PolarHBondContact O-N 3.39Å; E383-A387 WeakPolarHBondContact O-CB 3.31Å; E383-A387 PolarHBondContact O-N 3.49Å; E383-R391 IonicContact OE1-CZ 3.27Å; E383-R391 IonicContact OE1-NH1 3.45Å; E383-R391 IonicContact OE1-NH2 2.78Å; E383-R391 PolarHBondContact OE1-NH2 3.24Å
384A87.5Confident91.1Very high24 Ų2465.5 Ų65.520%0.19832%0.315CS..Hα-helixtrans-58.3-46.1-179.800000112R245 Y329 D380 A381 K382R245-A384 VanDerWaalsContact NH2-C 3.3Å; R245-A384 PolarHBondContact NH2-O 3.05Å; Y329-A384 HydrophobicContact CE1-CB 4.39Å; D380-A384 WeakPolarHBondContact O-CB 3.42Å; D380-A384 PolarHBondContact O-N 2.69Å; A381-A384 WeakPolarHBondContact O-CB 3.34Å; A381-A384 PolarHBondContact O-N 3.06Å; K382-A384 VanDerWaalsContact C-N 3.28Å; K382-A384 PolarHBondContact O-N 2.8Å
385I93.6Very high91.4Very high4 Ų468.9 Ų68.92%0.02133%0.332CS..Hα-helixtrans-83-30.9-174.667.2-177.1000113.7Y329 E330 V333 L334 A381 K382 E383 W388Y329-I385 HydrophobicContact CD1-CG2 4Å; Y329-I385 HydrophobicContact CE1-CG2 3.95Å; E330-I385 HydrophobicContact CG-CB 4.37Å; E330-I385 HydrophobicContact CG-CG2 4.08Å; V333-I385 HydrophobicContact CG2-CG2 3.75Å; L334-I385 HydrophobicContact CD1-CD1 3.87Å; L334-I385 HydrophobicContact CD2-CD1 3.9Å; L334-I385 HydrophobicContact CG-CD1 4.01Å; A381-I385 WeakPolarHBondContact O-CG1 3.43Å; A381-I385 PolarHBondContact O-N 3.38Å; K382-I385 PolarHBondContact O-N 3.5Å; E383-I385 PolarHBondContact O-N 3.39Å; I385-W388 PolarHBondContact O-NE1 2.87Å
386Y93.9Very high91.7Very high107 Ų10766.9 Ų66.942%0.4232%0.321SS..Hα-helixtrans-105-10.9-173.1-63.7-55.4000115.4K382 W388 R389K382-Y386 HydrophobicContact CB-CD2 4.43Å; K382-Y386 WeakPolarHBondContact O-CB 3.37Å; K382-Y386 PolarHBondContact O-N 3.42Å; Y386-W388 PolarHBondContact O-N 3.34Å; Y386-R389 WeakPolarHBondContact O-CB 3.3Å; Y386-R389 WeakPolarHBondContact O-CG 3.31Å; Y386-R389 PolarHBondContact O-N 3.49Å
387A92.2Very high92Very high7 Ų765.6 Ų65.66%0.05831%0.314CS..THydrogen-bonded Turntrans-58.4-17-177.200000115.2N252 E383 R389 R391N252-A387 PolarHBondContact ND2-O 3.08Å; E383-A387 WeakPolarHBondContact O-CB 3.31Å; E383-A387 PolarHBondContact O-N 3.49Å; A387-R389 VanDerWaalsContact C-N 3.25Å; A387-R389 PolarHBondContact O-N 3.24Å; A387-R391 VanDerWaalsContact O-CB 3.24Å; A387-R391 WeakPolarHBondContact O-CB 3.38Å; A387-R391 WeakPolarHBondContact O-CD 3.33Å; A387-R391 WeakPolarHBondContact O-CG 3.4Å; A387-R391 PolarHBondContact O-N 2.94Å
388W95.1Very high92.2Very high9 Ų964.5 Ų64.53%0.03431%0.309CS..Hα-helixtrans-67.7-26.8175.167.7-94.3000112.7R248 A249 N252 I385 Y386 E390 R391 L392 I397R248-W388 HydrophobicContact CB-CB 4.5Å; R248-W388 HydrophobicContact CB-CD2 3.65Å; R248-W388 HydrophobicContact CB-CE3 3.78Å; R248-W388 HydrophobicContact CB-CG 3.99Å; R248-W388 HydrophobicContact CB-CZ3 4.28Å; R248-W388 HydrophobicContact CG-CE3 4.43Å; R248-W388 HydrophobicContact CG-CZ3 4.48Å; R248-W388 VanDerWaalsContact CZ-CZ2 3.43Å; A249-W388 HydrophobicContact CB-CG 4.48Å; N252-W388 HydrophobicContact CB-CB 3.73Å; N252-W388 WeakPolarHBondContact ND2-CA 3.36Å; N252-W388 PolarHBondContact ND2-N 3.05Å; I385-W388 PolarHBondContact O-NE1 2.87Å; Y386-W388 PolarHBondContact O-N 3.34Å; W388-E390 VanDerWaalsContact C-N 3.25Å; W388-E390 PolarHBondContact O-N 3.27Å; W388-R391 PolarHBondContact O-N 3.24Å; W388-L392 HydrophobicContact CB-CD1 3.99Å; W388-L392 HydrophobicContact CB-CG 4.24Å; W388-L392 WeakPolarHBondContact O-CB 3.42Å; W388-L392 PolarHBondContact O-N 3.29Å; W388-I397 HydrophobicContact CE3-CD1 4.16Å; W388-I397 HydrophobicContact CE3-CG1 4.18Å; W388-I397 HydrophobicContact CZ3-CD1 3.94Å; W388-I397 HydrophobicContact CZ3-CG1 4.13Å; W388-I397 HydrophobicContact CZ3-CG2 4.36Å
389R94.1Very high92.3Very high157 Ų15765.5 Ų65.559%0.59231%0.309SS*.Hα-helixtrans-63.6-32.9-178.9-65.8-177.6173.4-158.2-2.3112.6Y386 A387Y386-R389 WeakPolarHBondContact O-CB 3.3Å; Y386-R389 WeakPolarHBondContact O-CG 3.31Å; Y386-R389 PolarHBondContact O-N 3.49Å; A387-R389 VanDerWaalsContact C-N 3.25Å; A387-R389 PolarHBondContact O-N 3.24Å
390E92.6Very high92.6Very high179 Ų17963.1 Ų63.184%0.83630%0.3SS*.Hα-helixtrans-98-24.6-179.5-63.2174.318000112.6W388W388-E390 VanDerWaalsContact C-N 3.25Å; W388-E390 PolarHBondContact O-N 3.27Å
391R92.8Very high92.8Very high108 Ų10860.4 Ų60.441%0.40829%0.285SS..Hα-helixtrans-99.8-22.9-170.5-65.2177.6-175.5162.14.5114.5N252 E383 A387 W388N252-R391 WeakPolarHBondContact OD1-CB 3.48Å; E383-R391 IonicContact OE1-CZ 3.27Å; E383-R391 IonicContact OE1-NH1 3.45Å; E383-R391 IonicContact OE1-NH2 2.78Å; E383-R391 PolarHBondContact OE1-NH2 3.24Å; A387-R391 VanDerWaalsContact O-CB 3.24Å; A387-R391 WeakPolarHBondContact O-CB 3.38Å; A387-R391 WeakPolarHBondContact O-CD 3.33Å; A387-R391 WeakPolarHBondContact O-CG 3.4Å; A387-R391 PolarHBondContact O-N 2.94Å; W388-R391 PolarHBondContact O-N 3.24Å
392L94.4Very high92.8Very high12 Ų1263.1 Ų63.16%0.06331%0.308CS..SBendtrans-96.3140.7175.8-62.8-176.9000110.3R248 N252 L255 W388 Q396 I397R248-L392 HydrophobicContact CB-CD1 4.46Å; N252-L392 HydrophobicContact CB-CD1 4.07Å; N252-L392 HydrophobicContact CB-CD2 4Å; N252-L392 HydrophobicContact CB-CG 3.96Å; L255-L392 HydrophobicContact CD1-CD2 3.94Å; W388-L392 HydrophobicContact CB-CD1 3.99Å; W388-L392 HydrophobicContact CB-CG 4.24Å; W388-L392 WeakPolarHBondContact O-CB 3.42Å; W388-L392 PolarHBondContact O-N 3.29Å; L392-Q396 HydrophobicContact CB-CB 4.34Å; L392-Q396 HydrophobicContact CD2-CB 4.37Å; L392-I397 HydrophobicContact CB-CD1 4.18Å; L392-I397 HydrophobicContact CB-CG1 3.74Å; L392-I397 HydrophobicContact CD1-CG1 4.28Å
393N93.9Very high92.8Very high82 Ų8259.8 Ų59.844%0.43929%0.292SS..  trans-80.4168.9170.569.240.1000111.3E395 Q396 I397N393-E395 VanDerWaalsContact C-N 3.29Å; N393-E395 PolarHBondContact O-N 3.4Å; N393-E395 WeakPolarHBondContact OD1-CB 3.48Å; N393-E395 PolarHBondContact OD1-N 3Å; N393-E395 VanDerWaalsContact OD1-N 3.15Å; N393-Q396 VanDerWaalsContact N-OE1 3.11Å; N393-Q396 PolarHBondContact ND2-OE1 3.41Å; N393-Q396 PolarHBondContact O-N 3.29Å; N393-Q396 WeakPolarHBondContact OD1-CB 3.27Å; N393-Q396 WeakPolarHBondContact OD1-CG 3.27Å; N393-Q396 PolarHBondContact OD1-N 3.43Å; N393-I397 WeakPolarHBondContact O-CG1 3.39Å; N393-I397 PolarHBondContact O-N 3.26Å
394V92.4Very high93.1Very high89 Ų8957.2 Ų57.254%0.53928%0.28SS..Hα-helixtrans-60-38.2-176.9179.60000112.2I397 G398 V419V394-I397 PolarHBondContact O-N 3.11Å; V394-G398 PolarHBondContact O-N 3.49Å; V394-V419 HydrophobicContact CG1-CG2 4.38Å
395E90.8Very high93.5Very high160 Ų16057.8 Ų57.875%0.74828%0.283SS*.Hα-helixtrans-64.9-46.4178.6-174.3-173.1172.200111.4N393 I397 G398 Q399N393-E395 VanDerWaalsContact C-N 3.29Å; N393-E395 PolarHBondContact O-N 3.4Å; N393-E395 WeakPolarHBondContact OD1-CB 3.48Å; N393-E395 PolarHBondContact OD1-N 3Å; N393-E395 VanDerWaalsContact OD1-N 3.15Å; E395-I397 PolarHBondContact O-N 3.5Å; E395-G398 PolarHBondContact O-N 2.9Å; E395-Q399 WeakPolarHBondContact O-CB 3.33Å; E395-Q399 PolarHBondContact O-N 3.41Å
396Q92.6Very high93.6Very high29 Ų2959.9 Ų59.914%0.13629%0.292CS..Hα-helixtrans-63.1-41.2177.2-72.1170-3000111.5E292 L392 N393 V400E292-Q396 PolarHBondContact OE1-NE2 2.66Å; L392-Q396 HydrophobicContact CB-CB 4.34Å; L392-Q396 HydrophobicContact CD2-CB 4.37Å; N393-Q396 VanDerWaalsContact N-OE1 3.11Å; N393-Q396 PolarHBondContact ND2-OE1 3.41Å; N393-Q396 PolarHBondContact O-N 3.29Å; N393-Q396 WeakPolarHBondContact OD1-CB 3.27Å; N393-Q396 WeakPolarHBondContact OD1-CG 3.27Å; N393-Q396 PolarHBondContact OD1-N 3.43Å; Q396-V400 WeakPolarHBondContact O-CG2 3.16Å; Q396-V400 PolarHBondContact O-N 2.97Å; Q396-V400 VanDerWaalsContact O-N 3.16Å
397I94.8Very high93.7Very high7 Ų754.9 Ų54.94%0.03627%0.273CS..Hα-helixtrans-62.5-51174.5-67.4165.3000109.9W388 L392 N393 V394 E395 Q399 V400 E401 N416W388-I397 HydrophobicContact CE3-CD1 4.16Å; W388-I397 HydrophobicContact CE3-CG1 4.18Å; W388-I397 HydrophobicContact CZ3-CD1 3.94Å; W388-I397 HydrophobicContact CZ3-CG1 4.13Å; W388-I397 HydrophobicContact CZ3-CG2 4.36Å; L392-I397 HydrophobicContact CB-CD1 4.18Å; L392-I397 HydrophobicContact CB-CG1 3.74Å; L392-I397 HydrophobicContact CD1-CG1 4.28Å; N393-I397 WeakPolarHBondContact O-CG1 3.39Å; N393-I397 PolarHBondContact O-N 3.26Å; V394-I397 PolarHBondContact O-N 3.11Å; E395-I397 PolarHBondContact O-N 3.5Å; I397-Q399 VanDerWaalsContact C-N 3.3Å; I397-Q399 PolarHBondContact O-N 3.47Å; I397-V400 PolarHBondContact O-N 3.4Å; I397-E401 HydrophobicContact CG2-CG 4.24Å; I397-E401 WeakPolarHBondContact O-CG 3.48Å; I397-E401 PolarHBondContact O-N 3Å; I397-N416 HydrophobicContact CG2-CB 4.25Å
398G93Very high93.9Very high18 Ų1854.7 Ų54.719%0.18627%0.271CS..Hα-helixtrans-59.5-38.9179.600000112.8V394 E395 E401 A402V394-G398 PolarHBondContact O-N 3.49Å; E395-G398 PolarHBondContact O-N 2.9Å; G398-E401 PolarHBondContact O-N 3.26Å; G398-A402 WeakPolarHBondContact O-CB 3.03Å; G398-A402 PolarHBondContact O-N 3.42Å
399Q91.6Very high93.9Very high61 Ų6162.3 Ų62.329%0.28530%0.3SS..Hα-helixtrans-61.7-47.2175.4-177.3178.841.500111.8E395 I397 A402 Y403E395-Q399 WeakPolarHBondContact O-CB 3.33Å; E395-Q399 PolarHBondContact O-N 3.41Å; I397-Q399 VanDerWaalsContact C-N 3.3Å; I397-Q399 PolarHBondContact O-N 3.47Å; Q399-A402 PolarHBondContact O-N 3.15Å; Q399-Y403 HydrophobicContact CG-CD2 4.02Å; Q399-Y403 HydrophobicContact CG-CE2 3.39Å; Q399-Y403 PolarHBondContact NE2-OH 3.4Å; Q399-Y403 WeakPolarHBondContact O-CD2 3.28Å; Q399-Y403 PolarHBondContact O-N 3.45Å; Q399-Y403 VanDerWaalsContact O-N 3.08Å
400V95Very high94Very high0 Ų058.2 Ų58.20%029%0.287CS..Hα-helixtrans-66.2-42.6178.5174.50000111P247 R248 H251 Q396 I397 A402 Y403 C404P247-V400 HydrophobicContact CB-CG1 3.7Å; R248-V400 HydrophobicContact CG-CB 4.33Å; R248-V400 HydrophobicContact CG-CG1 3.87Å; H251-V400 HydrophobicContact CB-CG2 3.64Å; H251-V400 VanDerWaalsContact CG-CG2 3.42Å; Q396-V400 WeakPolarHBondContact O-CG2 3.16Å; Q396-V400 PolarHBondContact O-N 2.97Å; Q396-V400 VanDerWaalsContact O-N 3.16Å; I397-V400 PolarHBondContact O-N 3.4Å; V400-A402 VanDerWaalsContact C-N 3.29Å; V400-A402 PolarHBondContact O-N 3.17Å; V400-Y403 PolarHBondContact O-N 3.49Å; V400-C404 VanDerWaalsContact O-CB 3.28Å; V400-C404 WeakPolarHBondContact O-CB 3.49Å; V400-C404 PolarHBondContact O-N 3.37Å
401E95.2Very high94.1Very high9 Ų950.1 Ų50.14%0.04225%0.25CC..Hα-helixtrans-64-34.7177.7-70.9-174.817300112.1R248 I397 G398 S405 M408 N416R248-E401 IonicContact CZ-OE1 2.69Å; R248-E401 IonicContact NH1-OE1 2.95Å; R248-E401 PolarHBondContact NH1-OE1 3.46Å; I397-E401 HydrophobicContact CG2-CG 4.24Å; I397-E401 WeakPolarHBondContact O-CG 3.48Å; I397-E401 PolarHBondContact O-N 3Å; G398-E401 PolarHBondContact O-N 3.26Å; E401-S405 WeakPolarHBondContact O-CA 3.37Å; E401-S405 WeakPolarHBondContact O-CB 3.5Å; E401-S405 PolarHBondContact O-N 3.3Å; E401-M408 HydrophobicContact CG-CE 4.1Å; E401-M408 HydrophobicContact CG-SD 3.99Å; E401-N416 PolarHBondContact OE1-N 3.4Å; E401-N416 PolarHBondContact OE2-N 3.14Å
402A92.1Very high94.3Very high67 Ų6747.6 Ų47.655%0.55426%0.258SS*.Hα-helixtrans-64.6-5017300000111.5G398 Q399 V400 S405G398-A402 WeakPolarHBondContact O-CB 3.03Å; G398-A402 PolarHBondContact O-N 3.42Å; Q399-A402 PolarHBondContact O-N 3.15Å; V400-A402 VanDerWaalsContact C-N 3.29Å; V400-A402 PolarHBondContact O-N 3.17Å; A402-S405 PolarHBondContact O-OG 3.16Å
403Y92.5Very high94.3Very high71 Ų7148.2 Ų48.228%0.27826%0.259SS..Hα-helixtrans-67-39.2-179.4-66-20.3000113.5M299 E300 Q399 V400M299-Y403 HydrophobicContact CB-CD2 4.47Å; E300-Y403 HydrophobicContact CB-CD1 4.2Å; E300-Y403 HydrophobicContact CB-CD2 4.07Å; E300-Y403 HydrophobicContact CB-CE2 4.39Å; E300-Y403 HydrophobicContact CB-CG 3.99Å; E300-Y403 HydrophobicContact CG-CD1 4.16Å; E300-Y403 HydrophobicContact CG-CG 4.37Å; Q399-Y403 HydrophobicContact CG-CD2 4.02Å; Q399-Y403 HydrophobicContact CG-CE2 3.39Å; Q399-Y403 PolarHBondContact NE2-OH 3.4Å; Q399-Y403 WeakPolarHBondContact O-CD2 3.28Å; Q399-Y403 PolarHBondContact O-N 3.45Å; Q399-Y403 VanDerWaalsContact O-N 3.08Å; V400-Y403 PolarHBondContact O-N 3.49Å
404C95.9Very high94.1Very high1 Ų152.3 Ų52.31%0.00728%0.276CS..Hα-helixtrans-110.312.8-168.3-56.70000113.2P247 C303 V400 E406 V407 M408P247-C404 HydrophobicContact CB-CB 3.75Å; P247-C404 HydrophobicContact CG-CB 3.74Å; C303-C404 HydrophobicContact CB-CB 3.77Å; C303-C404 WeakPolarHBondContact CB-SG 3.47Å; C303-C404 WeakPolarHBondContact SG-CB 3.27Å; C303-C404 CovalentContact SG-SG 2.02Å; C303-C404 PolarHBondContact SG-SG 3.36Å; V400-C404 VanDerWaalsContact O-CB 3.28Å; V400-C404 WeakPolarHBondContact O-CB 3.49Å; V400-C404 PolarHBondContact O-N 3.37Å; C404-E406 VanDerWaalsContact C-N 3.34Å; C404-E406 PolarHBondContact O-N 3.08Å; C404-V407 PolarHBondContact O-N 3.3Å; C404-V407 VanDerWaalsContact O-N 3.12Å; C404-M408 HydrophobicContact CB-CG 4.4Å; C404-M408 WeakPolarHBondContact O-CG 3.47Å; C404-M408 PolarHBondContact O-N 3.16Å
405S94.9Very high93.8Very high37 Ų3754.3 Ų54.326%0.25927%0.274SS..Hα-helixtrans-46.9-51.1-175.345.60000114.1E401 A402 M408 R409E401-S405 WeakPolarHBondContact O-CA 3.37Å; E401-S405 WeakPolarHBondContact O-CB 3.5Å; E401-S405 PolarHBondContact O-N 3.3Å; A402-S405 PolarHBondContact O-OG 3.16Å; S405-M408 PolarHBondContact O-N 2.96Å; S405-R409 PolarHBondContact O-N 3.39Å; S405-R409 VanDerWaalsContact O-N 3.08Å
406E94.9Very high92.9Very high47 Ų4749.3 Ų49.322%0.2225%0.252CS..Hα-helixtrans-68.8-42.6-178.3-176.855.4-147.400111.8L307 C404 M408 R409 Q410L307-E406 HydrophobicContact CD1-CB 4.41Å; L307-E406 HydrophobicContact CD1-CG 3.52Å; L307-E406 HydrophobicContact CD2-CB 4.03Å; L307-E406 HydrophobicContact CD2-CG 3.69Å; L307-E406 HydrophobicContact CG-CG 4.26Å; C404-E406 VanDerWaalsContact C-N 3.34Å; C404-E406 PolarHBondContact O-N 3.08Å; E406-M408 VanDerWaalsContact C-N 3.31Å; E406-M408 PolarHBondContact O-N 3.35Å; E406-R409 WeakPolarHBondContact O-CB 3.44Å; E406-R409 PolarHBondContact O-N 2.92Å; E406-R409 IonicContact OE1-CZ 2.8Å; E406-R409 VanDerWaalsContact OE1-CZ 3.29Å; E406-R409 IonicContact OE1-NE 3.5Å; E406-R409 PolarHBondContact OE1-NE 2.97Å; E406-R409 IonicContact OE1-NH2 3.71Å; E406-R409 PolarHBondContact OE1-NH2 3.35Å; E406-R409 IonicContact OE2-CZ 3.69Å; E406-R409 IonicContact OE2-NE 2.89Å; E406-R409 PolarHBondContact OE2-NE 2.85Å; E406-R409 VanDerWaalsContact OE2-NE 3.13Å; E406-R409 IonicContact OE2-NH1 3.74Å; E406-R409 IonicContact OE2-NH2 2.76Å; E406-R409 PolarHBondContact OE2-NH2 3.46Å; E406-Q410 WeakPolarHBondContact O-CG 3.39Å; E406-Q410 PolarHBondContact O-N 2.89Å; E406-Q410 PolarHBondContact OE1-NE2 3.06Å
407V96.1Very high91.3Very high3 Ų352 Ų522%0.01827%0.274CS..Hα-helixtrans-61.3-42.5176.4175.80000111C303 W306 L307 M310 C404 R409 Q410 L411C303-V407 HydrophobicContact CB-CG2 4.16Å; C303-V407 WeakPolarHBondContact O-CG2 3.24Å; W306-V407 HydrophobicContact CB-CG1 4.31Å; W306-V407 HydrophobicContact CB-CG2 4.11Å; W306-V407 HydrophobicContact CE3-CG1 3.82Å; W306-V407 HydrophobicContact CZ3-CG1 4.49Å; L307-V407 HydrophobicContact CB-CG2 3.94Å; M310-V407 HydrophobicContact CE-CG1 4Å; C404-V407 PolarHBondContact O-N 3.3Å; C404-V407 VanDerWaalsContact O-N 3.12Å; V407-R409 VanDerWaalsContact C-N 3.33Å; V407-R409 PolarHBondContact O-N 3.48Å; V407-Q410 PolarHBondContact O-N 3.47Å; V407-L411 HydrophobicContact CG1-CD1 3.61Å; V407-L411 HydrophobicContact CG1-CG 4.34Å; V407-L411 WeakPolarHBondContact O-CB 3.36Å; V407-L411 VanDerWaalsContact O-CG 3.31Å; V407-L411 WeakPolarHBondContact O-CG 3.47Å; V407-L411 PolarHBondContact O-N 3.39Å
408M97.4Very high89.4Confident2 Ų255.7 Ų55.71%0.0130%0.297CS..Hα-helixtrans-59.3-45.7175.9-73.7179.766.400111.3P247 E401 C404 S405 E406 Q410 L411 G412 Y413P247-M408 HydrophobicContact CG-CG 3.76Å; P247-M408 HydrophobicContact CG-SD 4.48Å; E401-M408 HydrophobicContact CG-CE 4.1Å; E401-M408 HydrophobicContact CG-SD 3.99Å; C404-M408 HydrophobicContact CB-CG 4.4Å; C404-M408 WeakPolarHBondContact O-CG 3.47Å; C404-M408 PolarHBondContact O-N 3.16Å; S405-M408 PolarHBondContact O-N 2.96Å; E406-M408 VanDerWaalsContact C-N 3.31Å; E406-M408 PolarHBondContact O-N 3.35Å; M408-Q410 PolarHBondContact O-N 2.9Å; M408-L411 PolarHBondContact O-N 2.81Å; M408-G412 PolarHBondContact O-N 3.46Å; M408-Y413 HydrophobicContact CG-CD2 4.33Å; M408-Y413 PolarHBondContact O-N 3.47Å
409R95.8Very high87.4Confident170 Ų17057 Ų5764%0.64230%0.301SS*.Hα-helixtrans-58.5-48.6176-174.1179.173.1170.66.8112S405 E406 V407 L411 G412S405-R409 PolarHBondContact O-N 3.39Å; S405-R409 VanDerWaalsContact O-N 3.08Å; E406-R409 WeakPolarHBondContact O-CB 3.44Å; E406-R409 PolarHBondContact O-N 2.92Å; E406-R409 IonicContact OE1-CZ 2.8Å; E406-R409 VanDerWaalsContact OE1-CZ 3.29Å; E406-R409 IonicContact OE1-NE 3.5Å; E406-R409 PolarHBondContact OE1-NE 2.97Å; E406-R409 IonicContact OE1-NH2 3.71Å; E406-R409 PolarHBondContact OE1-NH2 3.35Å; E406-R409 IonicContact OE2-CZ 3.69Å; E406-R409 IonicContact OE2-NE 2.89Å; E406-R409 PolarHBondContact OE2-NE 2.85Å; E406-R409 VanDerWaalsContact OE2-NE 3.13Å; E406-R409 IonicContact OE2-NH1 3.74Å; E406-R409 IonicContact OE2-NH2 2.76Å; E406-R409 PolarHBondContact OE2-NH2 3.46Å; V407-R409 VanDerWaalsContact C-N 3.33Å; V407-R409 PolarHBondContact O-N 3.48Å; R409-L411 PolarHBondContact O-N 3.32Å; R409-G412 PolarHBondContact O-N 3.04Å
410Q95.4Very high85.1Confident70 Ų7060 Ų6033%0.32732%0.315SS..Hα-helixtrans-64.8-26.7-179.5-67-69-8.900113.6M310 E406 V407 M408M310-Q410 HydrophobicContact SD-CB 3.75Å; M310-Q410 HydrophobicContact SD-CG 4.31Å; E406-Q410 WeakPolarHBondContact O-CG 3.39Å; E406-Q410 PolarHBondContact O-N 2.89Å; E406-Q410 PolarHBondContact OE1-NE2 3.06Å; V407-Q410 PolarHBondContact O-N 3.47Å; M408-Q410 PolarHBondContact O-N 2.9Å
411L95.6Very high82.4Confident9 Ų969 Ų695%0.04735%0.354CS..Hα-helixtrans-96-3179.3-65.5174.2000113.8F244 M310 R328 V407 M408 R409 Y413F244-L411 HydrophobicContact CB-CD1 3.73Å; F244-L411 HydrophobicContact CB-CD2 3.93Å; F244-L411 HydrophobicContact CD1-CD1 3.95Å; F244-L411 HydrophobicContact CD1-CD2 4.34Å; F244-L411 HydrophobicContact CD2-CD2 4.15Å; F244-L411 HydrophobicContact CG-CD1 4.01Å; F244-L411 HydrophobicContact CG-CD2 3.88Å; M310-L411 HydrophobicContact CE-CD1 3.9Å; M310-L411 HydrophobicContact CE-CD2 3.64Å; M310-L411 HydrophobicContact CE-CG 3.71Å; R328-L411 PolarHBondContact NH1-O 3.45Å; V407-L411 HydrophobicContact CG1-CD1 3.61Å; V407-L411 HydrophobicContact CG1-CG 4.34Å; V407-L411 WeakPolarHBondContact O-CB 3.36Å; V407-L411 VanDerWaalsContact O-CG 3.31Å; V407-L411 WeakPolarHBondContact O-CG 3.47Å; V407-L411 PolarHBondContact O-N 3.39Å; M408-L411 PolarHBondContact O-N 2.81Å; R409-L411 PolarHBondContact O-N 3.32Å; L411-Y413 HydrophobicContact CB-CD2 3.72Å; L411-Y413 HydrophobicContact CB-CE2 3.46Å; L411-Y413 VanDerWaalsContact CB-CE2 3.46Å; L411-Y413 HydrophobicContact CD1-CD2 4.3Å; L411-Y413 HydrophobicContact CD1-CE2 3.63Å; L411-Y413 HydrophobicContact CG-CE2 4.2Å
412G95.4Very high79.6Confident56 Ų5674.4 Ų74.458%0.57739%0.388SS*.THydrogen-bonded Turntrans7431.8-179.400000114M408 R409M408-G412 PolarHBondContact O-N 3.46Å; R409-G412 PolarHBondContact O-N 3.04Å
413Y95.3Very high76.8Confident24 Ų2480 Ų809%0.09442%0.415CS..PPolyproline II helixtrans-92.9121.9172.2-57.5-52.1000110.8D246 E330 M408 L411D246-Y413 HydrophobicContact CB-CD1 4.24Å; D246-Y413 HydrophobicContact CB-CD2 4.43Å; D246-Y413 HydrophobicContact CB-CE1 4.08Å; D246-Y413 HydrophobicContact CB-CE2 4.27Å; D246-Y413 HydrophobicContact CB-CG 4.44Å; D246-Y413 PolarHBondContact N-OH 3.44Å; E330-Y413 PolarHBondContact OE2-OH 3.1Å; M408-Y413 HydrophobicContact CG-CD2 4.33Å; M408-Y413 PolarHBondContact O-N 3.47Å; L411-Y413 HydrophobicContact CB-CD2 3.72Å; L411-Y413 HydrophobicContact CB-CE2 3.46Å; L411-Y413 VanDerWaalsContact CB-CE2 3.46Å; L411-Y413 HydrophobicContact CD1-CD2 4.3Å; L411-Y413 HydrophobicContact CD1-CE2 3.63Å; L411-Y413 HydrophobicContact CG-CE2 4.2Å
414E90.2Very high76Confident168 Ų16880.5 Ų80.579%0.78542%0.422SS*.PPolyproline II helixtrans-74.5142.3175.6-64.9177.2179.800111.4R248R248-E414 PolarHBondContact NH1-O 3.11Å; R248-E414 PolarHBondContact NH2-O 3.03Å
415R85.5Confident74.9Confident132 Ų13284.6 Ų84.650%0.49844%0.444SS..PPolyproline II helixtrans-73.5154.5172.3-66.9-172-174.7177.85110.6S417R415-S417 PolarHBondContact O-N 2.92Å
416N72.3Confident73.8Confident55 Ų5587.3 Ų87.329%0.29445%0.454SS..PPolyproline II helixtrans-74.8118.9177-154.83.4000109.8I397 E401 V418 V419I397-N416 HydrophobicContact CG2-CB 4.25Å; E401-N416 PolarHBondContact OE1-N 3.4Å; E401-N416 PolarHBondContact OE2-N 3.14Å; N416-V418 PolarHBondContact O-N 3.14Å; N416-V419 PolarHBondContact O-N 3.3Å; N416-V419 VanDerWaalsContact O-N 3.15Å
417S59Low72.6Confident84 Ų8489.6 Ų89.659%0.58747%0.468SS*.THydrogen-bonded Turntrans-62.7-8.5-17557.20000114.8R415R415-S417 PolarHBondContact O-N 2.92Å
418V55.3Low71.1Confident86 Ų8695.1 Ų95.152%0.52150%0.496SS..THydrogen-bonded Turntrans-74.9-28.6177.1-176.30000111.8N416N416-V418 PolarHBondContact O-N 3.14Å
419V49.3Very low69.4Low46 Ų46101.3 Ų101.328%0.27953%0.529SS..G310 helixtrans-80.4-28.4-175.6-176.40000112.2V394 N416 K421 T422V394-V419 HydrophobicContact CG1-CG2 4.38Å; N416-V419 PolarHBondContact O-N 3.3Å; N416-V419 VanDerWaalsContact O-N 3.15Å; V419-K421 PolarHBondContact O-N 3.32Å; V419-T422 PolarHBondContact O-N 3.38Å; V419-T422 PolarHBondContact O-OG1 3.45Å
420E44.9Very low67.5Low123 Ų12396.4 Ų96.458%0.57552%0.521SS*.G310 helixtrans-68.8-14.9-178.8-74.8-177.6165.300114.4T422E420-T422 VanDerWaalsContact C-N 3.3Å; E420-T422 PolarHBondContact O-N 3.03Å
421K38.5Very low65.3Low189 Ų18998.4 Ų98.482%0.82254%0.536SS*.G310 helixtrans-85.35.3-179.2-70-172.3177.3-177.20114.7V419V419-K421 PolarHBondContact O-N 3.32Å
422T35.1Very low62.8Low123 Ų123105.8 Ų105.876%0.75558%0.576SS**G310 helixtrans-123.27.5-173.311.70000114.9V419 E420V419-T422 PolarHBondContact O-N 3.38Å; V419-T422 PolarHBondContact O-OG1 3.45Å; E420-T422 VanDerWaalsContact C-N 3.3Å; E420-T422 PolarHBondContact O-N 3.03Å
423T33Very low59.8Low184 Ų184110.4 Ų110.4100%1.12958%0.576SS**  trans-115.50167.743.70000108.9

Retrieved 423 of 423 residues in 337.5 ms (Link to these results)

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