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Sodium/potassium/calcium exchanger 1

Calcium, potassium:sodium antiporter that transports 1 Ca(2+) and 1 K(+) in exchange for 4 Na(+). Critical component of the visual transduction cascade, controlling the calcium concentration of outer segments during light and darkness. Light causes a rapid lowering of cytosolic free calcium in the outer segment of both retinal rod and cone photoreceptors and the light-induced lowering of calcium is caused by extrusion via this protein which plays a key role in the process of light adaptation.

AlphaFold DB , UniProt , Accession A0A093HSB6, Species STRCA (Struthio camelus australis), Gene n/a, Length 664 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
1M39Very low44.9Very low233 Ų233155.7 Ų155.7100%1.14868%0.683SS**  0700-166-180-164.300109.7
2H43Very low45.7Very low194 Ų194151 Ų15190%0.89867%0.67SS**  trans-102.2112.9-178.3-77.9-83.6000110.6
3L38.7Very low46.9Very low104 Ų104147 Ų14755%0.54565%0.647SS.*  trans-89.8143.8156.1-104.282.6000108.7R5 R7L3-R5 PolarHBondContact O-N 2.68Å; L3-R7 HydrophobicContact CD2-CB 4.44Å
4P50Low48.1Very low81 Ų81143.6 Ų143.653%0.52664%0.637SS.*  trans-63.5137.4-17925.5-33.9000111.4R6 R7P4-R6 PolarHBondContact O-N 2.99Å; P4-R7 HydrophobicContact CG-CG 4.48Å; P4-R7 PolarHBondContact O-N 3.49Å
5R47.8Very low49Very low223 Ų223142.2 Ų142.284%0.84263%0.631SS**Hα-helixtrans-47.1-35.5-177.2-164.8173.6178-177.3-2.5112.8L3 R7 R8 L9L3-R5 PolarHBondContact O-N 2.68Å; R5-R7 PolarHBondContact O-N 2.96Å; R5-R8 PolarHBondContact O-N 3.43Å; R5-R8 VanDerWaalsContact O-N 3.12Å; R5-L9 PolarHBondContact O-N 2.7Å; R5-L9 VanDerWaalsContact O-N 3.1Å
6R44.8Very low50Low203 Ų203138.4 Ų138.477%0.76661%0.613SS**Hα-helixtrans-55.6-41.2175.6-150.4175.5-165.6177.97114P4 L9 Q10P4-R6 PolarHBondContact O-N 2.99Å; R6-L9 PolarHBondContact O-N 3.29Å; R6-Q10 PolarHBondContact O-N 3.43Å; R6-Q10 VanDerWaalsContact O-N 3.15Å
7R43.2Very low51Low165 Ų165136.5 Ų136.562%0.62361%0.61SS**Hα-helixtrans-72.8-29.3176.8-79.2-171.6178.5179.81.2112.8L3 P4 R5 R11L3-R7 HydrophobicContact CD2-CB 4.44Å; P4-R7 HydrophobicContact CG-CG 4.48Å; P4-R7 PolarHBondContact O-N 3.49Å; R5-R7 PolarHBondContact O-N 2.96Å; R7-R11 WeakPolarHBondContact O-CB 3.27Å; R7-R11 PolarHBondContact O-N 2.71Å; R7-R11 VanDerWaalsContact O-N 3.09Å
8R48.4Very low52Low162 Ų162134.1 Ų134.161%0.61160%0.603SS**Hα-helixtrans-68.5-41.5171.3-76.2-170.6179.1-168.10.6111.1R5 R11 N12R5-R8 PolarHBondContact O-N 3.43Å; R5-R8 VanDerWaalsContact O-N 3.12Å; R8-R11 PolarHBondContact O-N 3.46Å; R8-N12 WeakPolarHBondContact O-CB 3.38Å; R8-N12 VanDerWaalsContact O-CG 3.27Å; R8-N12 PolarHBondContact O-N 3.41Å; R8-N12 PolarHBondContact O-OD1 3.3Å
9L45.4Very low53.1Low86 Ų86129.4 Ų129.445%0.4559%0.591SS.*Hα-helixtrans-63.3-49.7179.3-135.482.3000112.3R5 R6 R11 N12 R13 W487R5-L9 PolarHBondContact O-N 2.7Å; R5-L9 VanDerWaalsContact O-N 3.1Å; R6-L9 PolarHBondContact O-N 3.29Å; L9-R11 PolarHBondContact O-N 3.08Å; L9-N12 PolarHBondContact O-N 3.07Å; L9-R13 PolarHBondContact O-N 3.26Å; L9-W487 HydrophobicContact CD2-CH2 4.37Å
10Q47.8Very low54.1Low124 Ų124126.2 Ų126.258%0.57958%0.578SS**Hα-helixtrans-62.3-41.2175.9-76.8-175.1-38.900112.5R6 N12 R13 I14R6-Q10 PolarHBondContact O-N 3.43Å; R6-Q10 VanDerWaalsContact O-N 3.15Å; Q10-N12 VanDerWaalsContact C-N 3.32Å; Q10-N12 PolarHBondContact O-N 3.06Å; Q10-R13 PolarHBondContact O-N 3.36Å; Q10-I14 WeakPolarHBondContact O-CG1 3.42Å; Q10-I14 PolarHBondContact O-N 3.03Å
11R46.4Very low55.1Low138 Ų138124.2 Ų124.252%0.52158%0.575SS.*Hα-helixtrans-64.4-37.4177.6-168.1179.172.51748.4112R7 R8 L9 I14 F15R7-R11 WeakPolarHBondContact O-CB 3.27Å; R7-R11 PolarHBondContact O-N 2.71Å; R7-R11 VanDerWaalsContact O-N 3.09Å; R8-R11 PolarHBondContact O-N 3.46Å; L9-R11 PolarHBondContact O-N 3.08Å; R11-I14 PolarHBondContact O-N 3.33Å; R11-F15 HydrophobicContact CG-CD2 3.84Å; R11-F15 HydrophobicContact CG-CE2 3.58Å; R11-F15 WeakPolarHBondContact O-CD2 3.42Å; R11-F15 PolarHBondContact O-N 2.83Å
12N53.6Low56.6Low99 Ų99118.1 Ų118.153%0.52955%0.547SS..Hα-helixtrans-68.7-37.4174.9-73.116.2000112R8 L9 Q10 F15 F16R8-N12 WeakPolarHBondContact O-CB 3.38Å; R8-N12 VanDerWaalsContact O-CG 3.27Å; R8-N12 PolarHBondContact O-N 3.41Å; R8-N12 PolarHBondContact O-OD1 3.3Å; L9-N12 PolarHBondContact O-N 3.07Å; Q10-N12 VanDerWaalsContact C-N 3.32Å; Q10-N12 PolarHBondContact O-N 3.06Å; N12-F15 PolarHBondContact O-N 3.22Å; N12-F16 WeakPolarHBondContact O-CB 3.42Å; N12-F16 PolarHBondContact O-N 2.9Å
13R62.1Low58.1Low99 Ų99113.7 Ų113.737%0.37453%0.533SS..Hα-helixtrans-61.3-41.8171.7-72.6-177176.2-165.9-6.2112.1L9 Q10 F16 L17 W487L9-R13 PolarHBondContact O-N 3.26Å; Q10-R13 PolarHBondContact O-N 3.36Å; R13-F16 PolarHBondContact O-N 3.18Å; R13-L17 WeakPolarHBondContact O-CG 3.43Å; R13-L17 PolarHBondContact O-N 2.78Å; R13-W487 PolarHBondContact NH2-O 3.32Å
14I63.3Low59.5Low100 Ų100113.6 Ų113.651%0.51353%0.532SS..Hα-helixtrans-65.4-43.7175.4-66.7164.6000111.5Q10 R11 F16 L17 L18Q10-I14 WeakPolarHBondContact O-CG1 3.42Å; Q10-I14 PolarHBondContact O-N 3.03Å; R11-I14 PolarHBondContact O-N 3.33Å; I14-F16 VanDerWaalsContact C-N 3.3Å; I14-F16 PolarHBondContact O-N 2.86Å; I14-L17 PolarHBondContact O-N 3.09Å; I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CB 3.39Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.41Å
15F61.8Low60.4Low122 Ų122112.5 Ų112.554%0.53553%0.527SS..Hα-helixtrans-64.7-33.2175.2-80.4-57.3000112.9R11 N12 A19R11-F15 HydrophobicContact CG-CD2 3.84Å; R11-F15 HydrophobicContact CG-CE2 3.58Å; R11-F15 WeakPolarHBondContact O-CD2 3.42Å; R11-F15 PolarHBondContact O-N 2.83Å; N12-F15 PolarHBondContact O-N 3.22Å; F15-A19 WeakPolarHBondContact O-CB 3.49Å; F15-A19 PolarHBondContact O-N 3.42Å
16F64.7Low61.5Low81 Ų81108 Ų10836%0.35551%0.514SS..Hα-helixtrans-71-42.5175.4-172.6-111.3000112.2N12 R13 I14 L18 A19 I20 F484N12-F16 WeakPolarHBondContact O-CB 3.42Å; N12-F16 PolarHBondContact O-N 2.9Å; R13-F16 PolarHBondContact O-N 3.18Å; I14-F16 VanDerWaalsContact C-N 3.3Å; I14-F16 PolarHBondContact O-N 2.86Å; F16-L18 PolarHBondContact O-N 2.92Å; F16-A19 WeakPolarHBondContact O-CB 3.32Å; F16-A19 PolarHBondContact O-N 2.9Å; F16-I20 HydrophobicContact CD1-CD1 3.82Å; F16-I20 HydrophobicContact CE1-CD1 3.44Å; F16-I20 VanDerWaalsContact CE1-CD1 3.44Å; F16-I20 HydrophobicContact CE1-CG1 4.39Å; F16-I20 HydrophobicContact CZ-CD1 3.86Å; F16-I20 HydrophobicContact CZ-CG1 4.45Å; F16-I20 WeakPolarHBondContact O-CG1 3.2Å; F16-I20 PolarHBondContact O-N 3.12Å; F16-F484 HydrophobicContact CZ-CE1 4.43Å
17L67.8Low62.7Low107 Ų107105.5 Ų105.556%0.5651%0.505SS*.Hα-helixtrans-61.1-43171.7-73.6169.1000111.7R13 I14 A19 I20 V21R13-L17 WeakPolarHBondContact O-CG 3.43Å; R13-L17 PolarHBondContact O-N 2.78Å; I14-L17 PolarHBondContact O-N 3.09Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.36Å; L17-I20 PolarHBondContact O-N 3.05Å; L17-V21 WeakPolarHBondContact O-CG2 3.45Å; L17-V21 PolarHBondContact O-N 3.41Å
18L67.4Low63.7Low92 Ų92103.9 Ų103.948%0.48251%0.505SS..Hα-helixtrans-63.3-36.3173.2-79.6165.6000112.7I14 F16 L22I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CB 3.39Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.41Å; F16-L18 PolarHBondContact O-N 2.92Å; L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 2.94Å
19A72.9Confident64.2Low45 Ų45102.4 Ų102.437%0.37251%0.508SS..Hα-helixtrans-67.3-42174.800000111.8F15 F16 L17 L22 V23F15-A19 WeakPolarHBondContact O-CB 3.49Å; F15-A19 PolarHBondContact O-N 3.42Å; F16-A19 WeakPolarHBondContact O-CB 3.32Å; F16-A19 PolarHBondContact O-N 2.9Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.36Å; A19-L22 PolarHBondContact O-N 3.11Å; A19-V23 WeakPolarHBondContact O-CB 3.48Å; A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.32Å; A19-V23 PolarHBondContact O-N 2.95Å
20I73.9Confident65.1Low66 Ų66105.6 Ų105.634%0.33852%0.521SS..Hα-helixtrans-62.7-46.7173.8-71.2169.7000110.6F16 L17 L22 V23 L24F16-I20 HydrophobicContact CD1-CD1 3.82Å; F16-I20 HydrophobicContact CE1-CD1 3.44Å; F16-I20 VanDerWaalsContact CE1-CD1 3.44Å; F16-I20 HydrophobicContact CE1-CG1 4.39Å; F16-I20 HydrophobicContact CZ-CD1 3.86Å; F16-I20 HydrophobicContact CZ-CG1 4.45Å; F16-I20 WeakPolarHBondContact O-CG1 3.2Å; F16-I20 PolarHBondContact O-N 3.12Å; L17-I20 PolarHBondContact O-N 3.05Å; I20-L22 VanDerWaalsContact C-N 3.29Å; I20-L22 PolarHBondContact O-N 2.98Å; I20-V23 PolarHBondContact O-N 3.37Å; I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CB 3.34Å; I20-L24 WeakPolarHBondContact O-CG 3.5Å; I20-L24 PolarHBondContact O-N 2.84Å
21V74.6Confident65.4Low84 Ų84104.4 Ų104.451%0.50952%0.518SS..Hα-helixtrans-61.9-37.6176.11730000111.3L17 S25L17-V21 WeakPolarHBondContact O-CG2 3.45Å; L17-V21 PolarHBondContact O-N 3.41Å; V21-S25 WeakPolarHBondContact O-CB 3.45Å; V21-S25 PolarHBondContact O-N 2.92Å; V21-S25 PolarHBondContact O-OG 3.43Å
22L70.1Confident65.1Low105 Ų105101.8 Ų101.855%0.5552%0.52SS..Hα-helixtrans-67.1-42.7174.5-85.6164.6000112.8L18 A19 I20 S25 F26L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.42Å; L18-L22 PolarHBondContact O-N 2.94Å; A19-L22 PolarHBondContact O-N 3.11Å; I20-L22 VanDerWaalsContact C-N 3.29Å; I20-L22 PolarHBondContact O-N 2.98Å; L22-S25 PolarHBondContact O-N 3.21Å; L22-F26 WeakPolarHBondContact O-CB 3.38Å; L22-F26 PolarHBondContact O-N 3.45Å
23V74.7Confident64.9Low101 Ų101102.3 Ų102.361%0.61253%0.529SS*.Hα-helixtrans-65.5-44.8176.7169.20000110.8A19 I20 S25 F26 Y27A19-V23 WeakPolarHBondContact O-CB 3.48Å; A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.32Å; A19-V23 PolarHBondContact O-N 2.95Å; I20-V23 PolarHBondContact O-N 3.37Å; V23-S25 VanDerWaalsContact C-N 3.34Å; V23-S25 PolarHBondContact O-N 3.05Å; V23-F26 PolarHBondContact O-N 2.82Å; V23-Y27 WeakPolarHBondContact O-CB 3.21Å; V23-Y27 PolarHBondContact O-N 3.35Å
24L68.6Low64Low102 Ų102103.8 Ų103.853%0.53455%0.552SS.*Hα-helixtrans-62.3-40.5173.6-70.2171.1000111.6I20 Y27 Q28I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 HydrophobicContact CG2-CG 4.3Å; I20-L24 WeakPolarHBondContact O-CB 3.34Å; I20-L24 WeakPolarHBondContact O-CG 3.5Å; I20-L24 PolarHBondContact O-N 2.84Å; L24-Y27 PolarHBondContact O-N 3.14Å; L24-Q28 WeakPolarHBondContact O-CB 3.46Å; L24-Q28 VanDerWaalsContact O-CG 3.25Å; L24-Q28 WeakPolarHBondContact O-CG 3.01Å; L24-Q28 PolarHBondContact O-N 3.43Å
25S69.9Low63Low58 Ų58102.4 Ų102.441%0.40656%0.562SS.*Hα-helixtrans-66.2-37.5175.8-59.30000112.2V21 L22 V23 L29V21-S25 WeakPolarHBondContact O-CB 3.45Å; V21-S25 PolarHBondContact O-N 2.92Å; V21-S25 PolarHBondContact O-OG 3.43Å; L22-S25 PolarHBondContact O-N 3.21Å; V23-S25 VanDerWaalsContact C-N 3.34Å; V23-S25 PolarHBondContact O-N 3.05Å; S25-L29 WeakPolarHBondContact O-CB 3.28Å; S25-L29 PolarHBondContact O-N 2.9Å
26F69.8Low62Low130 Ų130104.8 Ų104.857%0.5758%0.579SS**Hα-helixtrans-66.3-41.3173.2-106.3-87.6000111.8L22 V23 L29 Q30L22-F26 WeakPolarHBondContact O-CB 3.38Å; L22-F26 PolarHBondContact O-N 3.45Å; V23-F26 PolarHBondContact O-N 2.82Å; F26-L29 WeakPolarHBondContact O-CB 3.48Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-L29 VanDerWaalsContact O-N 3.14Å; F26-Q30 PolarHBondContact O-N 2.86Å
27Y70.9Confident60.8Low150 Ų150106.2 Ų106.259%0.58860%0.597SS**Hα-helixtrans-62.9-43.7177.1-157.9-105.3000111.3V23 L24 L29 Q30 I31V23-Y27 WeakPolarHBondContact O-CB 3.21Å; V23-Y27 PolarHBondContact O-N 3.35Å; L24-Y27 PolarHBondContact O-N 3.14Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 3.18Å; Y27-Q30 PolarHBondContact O-N 3.38Å; Y27-I31 HydrophobicContact CD1-CD1 3.59Å; Y27-I31 HydrophobicContact CE1-CD1 3.37Å; Y27-I31 HydrophobicContact CG-CD1 4.36Å; Y27-I31 WeakPolarHBondContact O-CG1 3.4Å; Y27-I31 PolarHBondContact O-N 3.04Å
28Q62.9Low59.6Low131 Ų131104.9 Ų104.961%0.61260%0.601SS**Hα-helixtrans-63.3-35.7171.8-69.1-70.2-23.700112.5L24 I31 S32L24-Q28 WeakPolarHBondContact O-CB 3.46Å; L24-Q28 VanDerWaalsContact O-CG 3.25Å; L24-Q28 WeakPolarHBondContact O-CG 3.01Å; L24-Q28 PolarHBondContact O-N 3.43Å; Q28-I31 PolarHBondContact O-N 2.94Å; Q28-S32 PolarHBondContact O-N 2.89Å; Q28-S32 PolarHBondContact O-OG 3.5Å
29L59.4Low58Low130 Ų130106.7 Ų106.768%0.68162%0.618SS**Hα-helixtrans-66.4-35.6173.6-120.977.1000112.8S25 F26 Y27 I31S25-L29 WeakPolarHBondContact O-CB 3.28Å; S25-L29 PolarHBondContact O-N 2.9Å; F26-L29 WeakPolarHBondContact O-CB 3.48Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-L29 VanDerWaalsContact O-N 3.14Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 3.18Å; L29-I31 VanDerWaalsContact C-N 3.33Å
30Q63.9Low56.2Low154 Ų154113.3 Ų113.372%0.7264%0.641SS**Hα-helixtrans-76.7-16.7177.7-83.2173.7-103.800113.9F26 Y27F26-Q30 PolarHBondContact O-N 2.86Å; Y27-Q30 PolarHBondContact O-N 3.38Å
31I54.2Low54.2Low99 Ų99116.6 Ų116.651%0.50867%0.665SS.*Hα-helixtrans-100.7-1.2180-66170.6000112.2Y27 Q28 L29 P33Y27-I31 HydrophobicContact CD1-CD1 3.59Å; Y27-I31 HydrophobicContact CE1-CD1 3.37Å; Y27-I31 HydrophobicContact CG-CD1 4.36Å; Y27-I31 WeakPolarHBondContact O-CG1 3.4Å; Y27-I31 PolarHBondContact O-N 3.04Å; Q28-I31 PolarHBondContact O-N 2.94Å; L29-I31 VanDerWaalsContact C-N 3.33Å; I31-P33 VanDerWaalsContact O-CD 3.26Å; I31-P33 WeakPolarHBondContact O-CD 3.46Å; I31-P33 VanDerWaalsContact O-N 3.1Å
32S41.5Very low52.1Low83 Ų83116.7 Ų116.758%0.5867%0.674SS**  trans-59.2115172.4-70.20000110.6Q28Q28-S32 PolarHBondContact O-N 2.89Å; Q28-S32 PolarHBondContact O-OG 3.5Å
33P48.4Very low50.3Low109 Ų109117.8 Ų117.871%0.70869%0.688SS**PPolyproline II helixtrans-66.4147.9-178.527.5-34.2000110.2I31 G35I31-P33 VanDerWaalsContact O-CD 3.26Å; I31-P33 WeakPolarHBondContact O-CD 3.46Å; I31-P33 VanDerWaalsContact O-N 3.1Å; P33-G35 PolarHBondContact O-N 3.4Å
34P43.5Very low48.1Very low131 Ų131121.6 Ų121.685%0.85170%0.699SS**PPolyproline II helixtrans-58.2128.8173.825.4-33.2000109.3
35G41Very low46.5Very low71 Ų71122.5 Ų122.573%0.73271%0.711SS**PPolyproline II helixtrans-56.5143.4-167.400000114P33P33-G35 PolarHBondContact O-N 3.4Å
36L42.5Very low44.6Very low171 Ų171129.1 Ų129.190%0.89574%0.735SS**PPolyproline II helixtrans-49130.7176.5-80.7117000112.1
37P39.2Very low42.7Very low111 Ų111130.3 Ų130.372%0.72175%0.748SS**PPolyproline II helixtrans-60.5147.6158.7-18.632.1000110.6
38A41.3Very low40.9Very low80 Ų80128.7 Ų128.766%0.66176%0.756SS**PPolyproline II helixtrans-58.7151.7179.900000112.6H40A38-H40 PolarHBondContact O-N 3.21Å
39P35.4Very low39.3Very low129 Ų129129 Ų12984%0.83877%0.766SS**PPolyproline II helixtrans-64.9118.7-174.825.8-34.6000111.8T41P39-T41 PolarHBondContact O-N 2.75Å
40H33.8Very low37.7Very low184 Ų184131.6 Ų131.685%0.85277%0.772SS**PPolyproline II helixtrans-67.1131.3171.6-80.7-80.4000110.9A38A38-H40 PolarHBondContact O-N 3.21Å
41T33Very low36Very low136 Ų136130.8 Ų130.883%0.83478%0.777SS**PPolyproline II helixtrans-63.6137.3178.6-43.30000111.1P39P39-T41 PolarHBondContact O-N 2.75Å
42A31.1Very low34.7Very low86 Ų86131.5 Ų131.571%0.71179%0.786SS**PPolyproline II helixtrans-63.9138.7179.800000112.5
43P30.9Very low34.1Very low128 Ų128133.3 Ų133.383%0.83180%0.796SS**PPolyproline II helixtrans-77.5136.4164.6-2.920.3000110.5
44Q29.8Very low33.1Very low181 Ų181139.7 Ų139.785%0.84681%0.806SS**PPolyproline II helixtrans-78.1161.6164.5-89.5-154.26.400111.4
45P33.3Very low32.3Very low121 Ų121140.9 Ų140.979%0.78681%0.805SS**PPolyproline II helixtrans-76.9137.2-17831.4-34.7000112.2
46E30.8Very low31.7Very low197 Ų197145 Ų14592%0.92181%0.81SS**  trans-117.3156.3164.1-75.6-162.7162.400111.6
47D29.9Very low31.2Very low155 Ų155142.9 Ų142.983%0.82981%0.806SS**PPolyproline II helixtrans-74.3166.2-160.6-94.5-46.1000116.4
48P33.4Very low30.6Very low116 Ų116142.1 Ų142.175%0.75380%0.803SS**PPolyproline II helixtrans-73.5141.1-163.527.8-36.1000115.4K50P48-K50 PolarHBondContact O-N 3.08Å
49V29.1Very low29.8Very low138 Ų138145.7 Ų145.784%0.83681%0.811SS**PPolyproline II helixtrans-68.9122.1-179175.50000112.4
50K25.3Very low29.5Very low184 Ų184147.8 Ų147.880%0.881%0.807SS**  trans-84.6109.6176.5-174178.7-173.8175.90110.6P48P48-K50 PolarHBondContact O-N 3.08Å
51V28.8Very low29.2Very low136 Ų136145.2 Ų145.282%0.82481%0.805SS**  trans-83.9123.3175.4-175.90000110.3
52T26.3Very low28.9Very low114 Ų114142.7 Ų142.770%0.69980%0.798SS**  trans-128.1141.916620.90000109.3
53P29.4Very low28.9Very low122 Ų122145.8 Ų145.879%0.79280%0.801SS**  trans-78.6163.7-167.533.2-36.7000112.7
54R27.4Very low28.7Very low243 Ų243146.1 Ų146.192%0.91780%0.801SS**  trans-134.1145170.7-135.1174.8-172.21542.7110.7
55D27.7Very low28.6Very low155 Ų155140.8 Ų140.883%0.82979%0.794SS**  trans-79.7162.3-154.5-55.2-83.5000117
56L26.8Very low28.4Very low159 Ų159143.5 Ų143.583%0.83280%0.802SS**  trans-66.9165.5168.4-114.677.3000112.7
57P32.9Very low28.2Very low126 Ų126137.5 Ų137.582%0.81879%0.793SS**  -129.9114.1123.334.3-25.9000115
58S25.6Very low28.1Very low94 Ų94136.8 Ų136.866%0.65779%0.794SS**  trans16.5129.5141.5-1670000121.4
59N25.6Very low27.8Very low155 Ų155136.1 Ų136.183%0.82980%0.798SS**  -141.7158.4124.4-150.9-6.7000111.5
60K28.6Very low27.7Very low173 Ų173135.9 Ų135.975%0.75280%0.798SS**  trans-75.4165.9-164.5-58.9167.4-179.5172.10112.5
61T27.3Very low28.5Very low131 Ų131132.4 Ų132.480%0.80479%0.794SS**  cis-169.7156.739.6-36.30000113
62A28.1Very low28.4Very low83 Ų83135.3 Ų135.369%0.68680%0.795SS**  trans69.1150.6154.700000120.2
63I29.4Very low28.6Very low150 Ų150137.7 Ų137.777%0.76980%0.802SS**  cis-159.2147.6-13.7-106.6164.1000108.1
64T26.9Very low28.5Very low136 Ų136141.4 Ų141.483%0.83480%0.801SS**  trans11.9145.716661.40000122.8
65G27.8Very low28.5Very low69 Ų69138.3 Ų138.371%0.71180%0.796SS**  cis164167.6000000114.3
66N29Very low28.5Very low178 Ų178136.8 Ų136.895%0.95280%0.796SS**  trans52.1134.5162.2-66.3-1.1000123.8
67G28Very low28.5Very low70 Ų70135 Ų13572%0.72279%0.792SS**  137.273129.300000122.3
68T26.3Very low28.2Very low140 Ų140140 Ų14086%0.85980%0.796SS**  trans32.5124.9139.243.40000124.7
69A27.5Very low28.3Very low102 Ų102139.9 Ų139.984%0.84379%0.791SS**  75.2147.7126.100000123.8
70T27.9Very low28.3Very low134 Ų134139.3 Ų139.382%0.82279%0.788SS**  trans-90.9-170.6-178.260.90000112.3
71P41.7Very low28.6Very low111 Ų111137.1 Ų137.172%0.72179%0.791SS**  cis-141.9179.1-2.738.3-16.6000118.1
72K26.9Very low28.6Very low196 Ų196138.1 Ų138.185%0.85279%0.787SS**  trans30.2136148.4-71176.4174.2175.20122.9
73I29.2Very low29Very low165 Ų165139.5 Ų139.585%0.84679%0.789SS**  -177.7157.9119.7-94.6157.5000113.9
74R27.9Very low28.8Very low200 Ų200138.4 Ų138.476%0.75579%0.789SS**  trans-38.2174.2175-45.1171.8174.2-170-4.8117.3
75H26.8Very low28.9Very low177 Ų177136.6 Ų136.682%0.81978%0.778SS**  cis-170.1160.924.5-131.7-30.3000110.8
76C28.3Very low29Very low124 Ų124139.4 Ų139.484%0.83878%0.784SS**  trans151.2147.8134-83.90000114.6
77V27.9Very low28.9Very low121 Ų121137.3 Ų137.373%0.73377%0.771SS**  trans-129.6147.5-174.81750000109.1V79V77-V79 HydrophobicContact CG1-CG2 3.86Å
78Y25.2Very low28.7Very low230 Ų230140.9 Ų140.990%0.90278%0.779SS**  trans-134152.2165.2-167.6-96.1000109.2
79V27.3Very low28.7Very low93 Ų93140 Ų14056%0.56477%0.774SS**  trans-135.2121.9-153173.20000112.6V77V77-V79 HydrophobicContact CG1-CG2 3.86Å
80D27.1Very low28.5Very low142 Ų142140.8 Ų140.876%0.75977%0.773SS**  trans61.7150145.8-72.1-9.1000121.3
81P33.8Very low28.4Very low127 Ų127141 Ų14183%0.82577%0.773SS**  -139.1147.751.238.5-18.5000120.7
82E27.1Very low27.5Very low153 Ų153142.1 Ų142.172%0.71577%0.773SS**  trans-74.1169.4154.8-103.8-169.6139.100111.8
83P36.9Very low27.4Very low111 Ų111138.2 Ų138.272%0.72177%0.766SS**  cis-127.7175.228.437.6-17.8000114.2
84T26.1Very low27.1Very low128 Ų128136.2 Ų136.279%0.78576%0.762SS**  cis-165.8142.946.3-42.30000110.6
85V29Very low27.4Very low97 Ų97131.8 Ų131.859%0.58876%0.759SS**  trans-84.4164.2-178-1210000113I87V85-I87 HydrophobicContact CG1-CD1 4.37Å; V85-I87 HydrophobicContact CG1-CG1 3.99Å
86P29.4Very low27.2Very low129 Ų129131.5 Ų131.584%0.83876%0.758SS**  -130.6167.150.227.4-4.5000117.7
87I26.8Very low27.1Very low134 Ų134133 Ų13369%0.68775%0.753SS**  trans-90.1137.7-171.2-64.2154.3000112.4V85 T89V85-I87 HydrophobicContact CG1-CD1 4.37Å; V85-I87 HydrophobicContact CG1-CG1 3.99Å; I87-T89 HydrophobicContact CG2-CG2 4.34Å
88T23.8Very low26.9Very low145 Ų145136.2 Ų136.289%0.8976%0.76SS**  trans-145.7129.1131.6-40.70000109.4
89T25.4Very low26.9Very low121 Ų121133 Ų13374%0.74276%0.758SS**  trans-84.6132.1-17142.20000114.3I87I87-T89 HydrophobicContact CG2-CG2 4.34Å
90S24.9Very low27Very low118 Ų118135.1 Ų135.183%0.82577%0.771SS**  trans-101.3149.5152.451.40000109.9
91V25.8Very low26.9Very low138 Ų138133.8 Ų133.884%0.83677%0.773SS**  trans-131.5132.9176.1174.40000107.9
92D20.9Very low27Very low135 Ų135132.3 Ų132.372%0.72277%0.772SS**  trans-148.2134.5172.7-151.4-16.8000111.6
93T25.8Very low27Very low114 Ų114130.3 Ų130.370%0.69978%0.775SS**  trans42.2151.3154.3390000122
94T22.3Very low26.8Very low123 Ų123135.6 Ų135.676%0.75578%0.782SS**  cis-166.9-169.27.65.30000108
95P34.8Very low27.6Very low108 Ų108135.7 Ų135.770%0.70178%0.784SS**  cis-134.4-175.9-35.635.8-17.2000114.6
96Q22.8Very low28Very low170 Ų170138.1 Ų138.179%0.79479%0.794SS**  trans107.6143162.4-66.7-162.4-70.400116.8
97Q25.2Very low28.2Very low157 Ų157139 Ų13973%0.73479%0.787SS**  cis-171.9116-23.6176.6168.4-13.300107.4
98E24.7Very low28.7Very low188 Ų188140.2 Ų140.288%0.87979%0.787SS**  trans-127.8155173.7-96-170.9158.300112.7V100E98-V100 PolarHBondContact O-N 2.9Å
99N25.5Very low29.4Very low162 Ų162139.2 Ų139.287%0.86678%0.784SS**  trans-75.1117.6-161-70.6-42.8000113.5S101N99-S101 PolarHBondContact O-N 2.97Å
100V28.8Very low29.8Very low137 Ų137140.9 Ų140.983%0.8378%0.78SS**  trans-81.9111.4166.6-179.90000109.4E98E98-V100 PolarHBondContact O-N 2.9Å
101S25.9Very low30.8Very low115 Ų115139.6 Ų139.680%0.80476%0.758SS**  trans-82.5122.8158.9-158.20000107.9N99 S103N99-S101 PolarHBondContact O-N 2.97Å; S101-S103 PolarHBondContact O-N 3.16Å
102A35.8Very low31.7Very low96 Ų96140.3 Ų140.379%0.79375%0.752SS**  trans-75.6111.9-173.700000111.6
103S26.9Very low33Very low111 Ų111136.5 Ų136.578%0.77674%0.736SS**  trans-110.8147.8159.353.40000110S101S101-S103 PolarHBondContact O-N 3.16Å
104Y31.3Very low34.3Very low221 Ų221138 Ų13887%0.86773%0.733SS**  trans-72143.7-171.6-74.3-103.5000112.4D106Y104-D106 PolarHBondContact O-N 3.36Å
105P44.5Very low36.2Very low130 Ų130132.8 Ų132.884%0.84470%0.704SS**SBendtrans-87.689.317234.6-30.7000110.3
106D36.1Very low38Very low148 Ų148134.8 Ų134.879%0.79170%0.704SS**  trans-145.627.1170-150.48.5000112.8Y104 K108Y104-D106 PolarHBondContact O-N 3.36Å; D106-K108 PolarHBondContact O-N 2.79Å
107E33.6Very low40.8Very low147 Ų147128 Ų12869%0.68767%0.671SS**  trans-89.897.6170.3-152.5169.8-162.700108.8K110E107-K110 IonicContact OE1-NZ 2.58Å; E107-K110 PolarHBondContact OE1-NZ 3.07Å; E107-K110 IonicContact OE2-NZ 3.37Å
108K37.2Very low43.7Very low160 Ų160123.4 Ų123.470%0.69666%0.655SS**  trans-50.9146.3162.5-73.2-175.2177.4-174.50108.8D106 K110D106-K108 PolarHBondContact O-N 2.79Å; K108-K110 PolarHBondContact O-N 2.78Å; K108-K110 VanDerWaalsContact O-N 3.14Å
109P38.7Very low46.3Very low125 Ų125123.7 Ų123.781%0.81266%0.656SS**  trans-52.6125.6-175.821.8-33.6000110.3Y111P109-Y111 PolarHBondContact O-N 2.8Å
110K34.9Very low49.2Very low155 Ų155117.8 Ų117.867%0.67462%0.624SS**  trans-59.1113.1171.9-84.8-170.4170.585.90107.7E107 K108 E112E107-K110 IonicContact OE1-NZ 2.58Å; E107-K110 PolarHBondContact OE1-NZ 3.07Å; E107-K110 IonicContact OE2-NZ 3.37Å; K108-K110 PolarHBondContact O-N 2.78Å; K108-K110 VanDerWaalsContact O-N 3.14Å; K110-E112 PolarHBondContact O-N 2.91Å; K110-E112 VanDerWaalsContact O-N 3.07Å
111Y45.4Very low51.8Low92 Ų92118.3 Ų118.336%0.36162%0.622SS.*  trans-72.498.4168.2-156.9-91.1000106.7P109 S113 S534 E535P109-Y111 PolarHBondContact O-N 2.8Å; Y111-S113 VanDerWaalsContact C-N 3.3Å; Y111-S113 PolarHBondContact O-N 3.11Å; Y111-S534 VanDerWaalsContact OH-CA 3.29Å; Y111-S534 WeakPolarHBondContact OH-CA 3.31Å; Y111-S534 WeakPolarHBondContact OH-CB 3.27Å; Y111-E535 HydrophobicContact CE1-CG 4.37Å; Y111-E535 PolarHBondContact OH-N 3.25Å
112E45.2Very low54.8Low153 Ų153114.4 Ų114.472%0.71559%0.591SS**  trans-68.291.1175.2-73.6-171.415800108.8K110 K114K110-E112 PolarHBondContact O-N 2.91Å; K110-E112 VanDerWaalsContact O-N 3.07Å; E112-K114 PolarHBondContact O-N 3Å; E112-K114 VanDerWaalsContact O-N 3.15Å
113S46.9Very low57.2Low54 Ų54112.1 Ų112.138%0.37857%0.568SS.*  trans-60.6114.4171-179.70000109.2Y111 H525Y111-S113 VanDerWaalsContact C-N 3.3Å; Y111-S113 PolarHBondContact O-N 3.11Å; S113-H525 PolarHBondContact OG-CE1 2.91Å; S113-H525 PolarHBondContact OG-NE2 3.39Å
114K54.3Low59.9Low145 Ų145108.3 Ų108.363%0.6354%0.541SS*.  trans-98.3-4.7179.4-70.8-175.4179.8177.90113.6E112 S196E112-K114 PolarHBondContact O-N 3Å; E112-K114 VanDerWaalsContact O-N 3.15Å; K114-S196 CarbonylContact C-O 3.53Å
115G60.9Low62.6Low14 Ų14103.3 Ų103.314%0.14453%0.525CS..SBendtrans-81.5137.6-177.300000113.2Y117G115-Y117 PolarHBondContact O-N 3.1Å
116E73.8Confident64.7Low151 Ų151100.9 Ų100.971%0.70650%0.503SS*.  trans-76.653.8175.3-61.9-163.3158.400111.9I195E116-I195 PolarHBondContact N-O 3.1Å
117Y82.3Confident67.3Low28 Ų2894.3 Ų94.311%0.1147%0.467CS..PPolyproline II helixtrans-84.4147.2178.7-65.4-61.2000112.2G115 I195 S196 Y518 V521 W522 H525G115-Y117 PolarHBondContact O-N 3.1Å; Y117-I195 HydrophobicContact CE1-CG2 4.44Å; Y117-S196 VanDerWaalsContact OH-CB 3.28Å; Y117-S196 WeakPolarHBondContact OH-CB 3.38Å; Y117-Y518 HydrophobicContact CD1-CE2 4.43Å; Y117-V521 VanDerWaalsContact OH-CG1 3.23Å; Y117-V521 WeakPolarHBondContact OH-CG1 3.45Å; Y117-W522 HydrophobicContact CD1-CB 3.78Å; Y117-W522 AromaticContact CD1-CD1 3.46Å; Y117-W522 VanDerWaalsContact CD1-CD1 3.46Å; Y117-W522 AromaticContact CD1-CG 3.82Å; Y117-W522 HydrophobicContact CD1-CG 3.82Å; Y117-W522 HydrophobicContact CE1-CB 3.89Å; Y117-W522 HydrophobicContact CE1-CG 4.42Å; Y117-W522 AromaticContact CG-CD1 3.54Å; Y117-W522 HydrophobicContact CG-CG 4.34Å; Y117-H525 HydrophobicContact CD2-CB 4.41Å; Y117-H525 AromaticContact CD2-CD2 3.89Å; Y117-H525 AromaticContact CD2-CG 3.98Å; Y117-H525 HydrophobicContact CE2-CB 3.97Å; Y117-H525 AromaticContact CE2-CG 3.8Å
118P84.6Confident70Confident60 Ų6093.9 Ų93.939%0.3946%0.459SS..PPolyproline II helixtrans-57.5145167.9-20.831.7000110.8D120 Y518 W522P118-D120 PolarHBondContact O-N 2.99Å; P118-Y518 WeakPolarHBondContact CD-OH 3.14Å; P118-Y518 WeakPolarHBondContact CG-OH 3.49Å; P118-W522 HydrophobicContact CB-CH2 4.3Å; P118-W522 HydrophobicContact CB-CZ2 3.86Å; P118-W522 HydrophobicContact CG-CH2 4.46Å; P118-W522 HydrophobicContact CG-CZ2 4.2Å; P118-W522 PolarHBondContact O-NE1 3.36Å
119Q80.6Confident72.4Confident193 Ų19393.7 Ų93.790%0.90246%0.46SS*.PPolyproline II helixtrans-59.7128.4171.2-68.7-174.8-16.400109.6
120D85.3Confident74.8Confident38 Ų3889.3 Ų89.320%0.20344%0.438CS..PPolyproline II helixtrans-67.7156.1176.4-177.237.9000111.3P118 F122 R127 H135P118-D120 PolarHBondContact O-N 2.99Å; D120-F122 PolarHBondContact O-N 3.48Å; D120-F122 PolarHBondContact OD2-N 3.45Å; D120-R127 WeakPolarHBondContact OD2-CD 3.41Å; D120-R127 IonicContact OD2-NE 3.96Å; D120-R127 PolarHBondContact OD2-NE 2.77Å; D120-H135 IonicContact OD1-CE1 2.72Å; D120-H135 IonicContact OD1-NE2 3.17Å; D120-H135 PolarHBondContact OD1-NE2 2.78Å; D120-H135 IonicContact OD2-CE1 3.17Å; D120-H135 PolarHBondContact OD2-CE1 2.93Å; D120-H135 IonicContact OD2-NE2 3.97Å; D120-H135 PolarHBondContact OD2-NE2 3.05Å
121L84.3Confident77.4Confident149 Ų14988 Ų8878%0.7843%0.429SS*.SBendtrans-68.2-24.2176.9-16770.5000112.4
122F88Confident79.6Confident33 Ų3384.7 Ų84.715%0.14542%0.418CS..SBendtrans-115.2139.7-176-57.4-79.4000111.9D120 E126 R127 W131D120-F122 PolarHBondContact O-N 3.48Å; D120-F122 PolarHBondContact OD2-N 3.45Å; F122-E126 WeakPolarHBondContact CA-OE2 2.95Å; F122-E126 HydrophobicContact CB-CB 4.15Å; F122-R127 HydrophobicContact CB-CG 3.95Å; F122-R127 PolarHBondContact O-NE 3.49Å; F122-W131 HydrophobicContact CD1-CB 4.05Å; F122-W131 AromaticContact CD1-CD2 3.86Å; F122-W131 HydrophobicContact CD1-CD2 3.86Å; F122-W131 HydrophobicContact CD1-CE3 4.21Å; F122-W131 AromaticContact CD1-CG 3.79Å; F122-W131 HydrophobicContact CD1-CG 3.79Å; F122-W131 HydrophobicContact CD2-CB 4.45Å; F122-W131 HydrophobicContact CE1-CB 4.37Å; F122-W131 AromaticContact CE1-CD2 3.41Å; F122-W131 HydrophobicContact CE1-CD2 3.41Å; F122-W131 VanDerWaalsContact CE1-CD2 3.41Å; F122-W131 AromaticContact CE1-CE2 3.85Å; F122-W131 AromaticContact CE1-CE3 3.38Å; F122-W131 HydrophobicContact CE1-CE3 3.38Å; F122-W131 AromaticContact CE1-CG 3.88Å; F122-W131 HydrophobicContact CE1-CG 3.88Å; F122-W131 HydrophobicContact CE1-CH2 4.2Å; F122-W131 HydrophobicContact CE1-CZ2 4.23Å; F122-W131 AromaticContact CE1-CZ3 3.8Å; F122-W131 HydrophobicContact CE1-CZ3 3.8Å; F122-W131 HydrophobicContact CE2-CE3 4.2Å; F122-W131 HydrophobicContact CG-CB 4.08Å; F122-W131 HydrophobicContact CG-CG 4.34Å; F122-W131 AromaticContact CZ-CD2 3.9Å; F122-W131 HydrophobicContact CZ-CD2 3.9Å; F122-W131 AromaticContact CZ-CE3 3.37Å; F122-W131 HydrophobicContact CZ-CE3 3.37Å; F122-W131 HydrophobicContact CZ-CG 4.49Å; F122-W131 HydrophobicContact CZ-CH2 4.48Å; F122-W131 AromaticContact CZ-CZ3 3.71Å; F122-W131 HydrophobicContact CZ-CZ3 3.71Å
123S86.1Confident81.9Confident47 Ų4783.2 Ų83.233%0.32941%0.414SS..  trans-66.2162.1172.5100.60000111.5E125 E126 R127S123-E125 WeakPolarHBondContact CB-OE2 3.46Å; S123-E125 PolarHBondContact O-N 3.29Å; S123-E125 PolarHBondContact OG-N 3.11Å; S123-E125 PolarHBondContact OG-OE2 3.49Å; S123-E126 PolarHBondContact N-OE2 3.38Å; S123-E126 PolarHBondContact O-N 3.41Å; S123-E126 VanDerWaalsContact O-N 3.14Å; S123-E126 PolarHBondContact OG-N 2.86Å; S123-R127 PolarHBondContact O-N 3.4Å
124V84.9Confident84Confident32 Ų3285.1 Ų85.119%0.19442%0.419CS..Hα-helixtrans-58-37174.9179.20000110.8R127 R128V124-R127 PolarHBondContact O-N 3.35Å; V124-R128 WeakPolarHBondContact O-CB 3.29Å; V124-R128 VanDerWaalsContact O-CG 3.3Å; V124-R128 WeakPolarHBondContact O-CG 3.32Å; V124-R128 PolarHBondContact O-N 3.4Å
125E86.4Confident85.8Confident115 Ų11578.3 Ų78.354%0.53739%0.39SS..Hα-helixtrans-66.4-43.1176.5-59.965-139.300111.4S123 R128 Q129S123-E125 WeakPolarHBondContact CB-OE2 3.46Å; S123-E125 PolarHBondContact O-N 3.29Å; S123-E125 PolarHBondContact OG-N 3.11Å; S123-E125 PolarHBondContact OG-OE2 3.49Å; E125-R128 CarbonylContact O-C 3.56Å; E125-R128 PolarHBondContact O-N 3.09Å; E125-Q129 VanDerWaalsContact O-CG 3.28Å; E125-Q129 WeakPolarHBondContact O-CG 3.19Å; E125-Q129 PolarHBondContact O-N 3.4Å
126E88.8Confident87.3Confident80 Ų8080.2 Ų80.237%0.37440%0.396SS..Hα-helixtrans-65.3-44.5175.6-67178.914100111F122 S123 R128 Q129 G130 W131F122-E126 WeakPolarHBondContact CA-OE2 2.95Å; F122-E126 HydrophobicContact CB-CB 4.15Å; S123-E126 PolarHBondContact N-OE2 3.38Å; S123-E126 PolarHBondContact O-N 3.41Å; S123-E126 VanDerWaalsContact O-N 3.14Å; S123-E126 PolarHBondContact OG-N 2.86Å; E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 3.46Å; E126-Q129 WeakPolarHBondContact O-CB 3.14Å; E126-Q129 PolarHBondContact O-N 3.12Å; E126-G130 PolarHBondContact O-N 3.01Å; E126-W131 VanDerWaalsContact O-CD1 3.25Å; E126-W131 PolarHBondContact O-N 2.9Å
127R91.3Very high88.2Confident10 Ų1078.9 Ų78.94%0.03839%0.389CS..Iπ-helixtrans-55.3-45.1172.6-74.5-173.3-90.7135.4-6.3111D120 F122 S123 V124 Q129 G130 W131 V132 Q526 E529 T530D120-R127 WeakPolarHBondContact OD2-CD 3.41Å; D120-R127 IonicContact OD2-NE 3.96Å; D120-R127 PolarHBondContact OD2-NE 2.77Å; F122-R127 HydrophobicContact CB-CG 3.95Å; F122-R127 PolarHBondContact O-NE 3.49Å; S123-R127 PolarHBondContact O-N 3.4Å; V124-R127 PolarHBondContact O-N 3.35Å; R127-Q129 VanDerWaalsContact C-N 3.33Å; R127-Q129 PolarHBondContact O-N 3.19Å; R127-G130 PolarHBondContact O-N 3.29Å; R127-G130 VanDerWaalsContact O-N 3.14Å; R127-W131 PolarHBondContact O-N 3.47Å; R127-V132 HydrophobicContact CB-CB 4.36Å; R127-V132 WeakPolarHBondContact O-CB 3.45Å; R127-V132 WeakPolarHBondContact O-CG1 3.27Å; R127-V132 PolarHBondContact O-N 3.11Å; R127-V132 VanDerWaalsContact O-N 3.08Å; R127-Q526 PolarHBondContact NH1-O 2.84Å; R127-Q526 VanDerWaalsContact NH2-OE1 3.08Å; R127-E529 IonicContact CZ-OE2 3.07Å; R127-E529 VanDerWaalsContact CZ-OE2 3.22Å; R127-E529 IonicContact NH1-OE2 3.92Å; R127-E529 PolarHBondContact NH1-OE2 3.27Å; R127-E529 IonicContact NH2-OE2 2.69Å; R127-E529 PolarHBondContact NH2-OE2 3.48Å; R127-T530 HydrophobicContact CB-CG2 3.82Å; R127-T530 WeakPolarHBondContact CB-OG1 3.17Å; R127-T530 PolarHBondContact NH1-OG1 3.48Å
128R89.4Confident88.6Confident138 Ų13878 Ų7852%0.52139%0.387SS..Iπ-helixtrans-66.4-25.8174.8-74.5-179.3175.1162.59114.7V124 E125 E126 G130 T530V124-R128 WeakPolarHBondContact O-CB 3.29Å; V124-R128 VanDerWaalsContact O-CG 3.3Å; V124-R128 WeakPolarHBondContact O-CG 3.32Å; V124-R128 PolarHBondContact O-N 3.4Å; E125-R128 CarbonylContact O-C 3.56Å; E125-R128 PolarHBondContact O-N 3.09Å; E126-R128 VanDerWaalsContact C-N 3.29Å; E126-R128 PolarHBondContact O-N 3.46Å; R128-G130 PolarHBondContact O-N 3.41Å; R128-T530 HydrophobicContact CB-CG2 4.45Å; R128-T530 HydrophobicContact CG-CG2 3.59Å; R128-T530 PolarHBondContact NE-O 3.23Å; R128-T530 PolarHBondContact NH2-O 3.47Å
129Q89.4Confident89Confident156 Ų15675.6 Ų75.673%0.72937%0.371SS*.Iπ-helixtrans-76.4-7.4173.3-73.117028.300113.6E125 E126 R127E125-Q129 VanDerWaalsContact O-CG 3.28Å; E125-Q129 WeakPolarHBondContact O-CG 3.19Å; E125-Q129 PolarHBondContact O-N 3.4Å; E126-Q129 WeakPolarHBondContact O-CB 3.14Å; E126-Q129 PolarHBondContact O-N 3.12Å; R127-Q129 VanDerWaalsContact C-N 3.33Å; R127-Q129 PolarHBondContact O-N 3.19Å
130G88.4Confident89.4Confident32 Ų3271 Ų7133%0.3335%0.352SS..Iπ-helixtrans135.5-13.3172.300000114.6E126 R127 R128 V132 L133E126-G130 PolarHBondContact O-N 3.01Å; R127-G130 PolarHBondContact O-N 3.29Å; R127-G130 VanDerWaalsContact O-N 3.14Å; R128-G130 PolarHBondContact O-N 3.41Å; G130-V132 PolarHBondContact O-N 2.91Å; G130-V132 VanDerWaalsContact O-N 3.11Å; G130-L133 WeakPolarHBondContact O-CB 3.45Å; G130-L133 WeakPolarHBondContact O-CG 3.42Å; G130-L133 PolarHBondContact O-N 3.15Å
131W90.1Very high89.7Confident129 Ų12971.1 Ų71.149%0.48935%0.35SS..Iπ-helixtrans-65.6-13.6179.6-67102.3000113.5F122 E126 R127 L133 L134F122-W131 HydrophobicContact CD1-CB 4.05Å; F122-W131 AromaticContact CD1-CD2 3.86Å; F122-W131 HydrophobicContact CD1-CD2 3.86Å; F122-W131 HydrophobicContact CD1-CE3 4.21Å; F122-W131 AromaticContact CD1-CG 3.79Å; F122-W131 HydrophobicContact CD1-CG 3.79Å; F122-W131 HydrophobicContact CD2-CB 4.45Å; F122-W131 HydrophobicContact CE1-CB 4.37Å; F122-W131 AromaticContact CE1-CD2 3.41Å; F122-W131 HydrophobicContact CE1-CD2 3.41Å; F122-W131 VanDerWaalsContact CE1-CD2 3.41Å; F122-W131 AromaticContact CE1-CE2 3.85Å; F122-W131 AromaticContact CE1-CE3 3.38Å; F122-W131 HydrophobicContact CE1-CE3 3.38Å; F122-W131 AromaticContact CE1-CG 3.88Å; F122-W131 HydrophobicContact CE1-CG 3.88Å; F122-W131 HydrophobicContact CE1-CH2 4.2Å; F122-W131 HydrophobicContact CE1-CZ2 4.23Å; F122-W131 AromaticContact CE1-CZ3 3.8Å; F122-W131 HydrophobicContact CE1-CZ3 3.8Å; F122-W131 HydrophobicContact CE2-CE3 4.2Å; F122-W131 HydrophobicContact CG-CB 4.08Å; F122-W131 HydrophobicContact CG-CG 4.34Å; F122-W131 AromaticContact CZ-CD2 3.9Å; F122-W131 HydrophobicContact CZ-CD2 3.9Å; F122-W131 AromaticContact CZ-CE3 3.37Å; F122-W131 HydrophobicContact CZ-CE3 3.37Å; F122-W131 HydrophobicContact CZ-CG 4.49Å; F122-W131 HydrophobicContact CZ-CH2 4.48Å; F122-W131 AromaticContact CZ-CZ3 3.71Å; F122-W131 HydrophobicContact CZ-CZ3 3.71Å; E126-W131 VanDerWaalsContact O-CD1 3.25Å; E126-W131 PolarHBondContact O-N 2.9Å; R127-W131 PolarHBondContact O-N 3.47Å; W131-L133 PolarHBondContact O-N 3.06Å; W131-L134 WeakPolarHBondContact O-CB 3.45Å; W131-L134 PolarHBondContact O-N 3.45Å; W131-L134 VanDerWaalsContact O-N 3.15Å
132V91.5Very high90.1Very high22 Ų2264.2 Ų64.213%0.13331%0.314CS..Hα-helixtrans-59.4-25.6168.270.80000113.5R127 G130 L134 H135 I136 V527 T530R127-V132 HydrophobicContact CB-CB 4.36Å; R127-V132 WeakPolarHBondContact O-CB 3.45Å; R127-V132 WeakPolarHBondContact O-CG1 3.27Å; R127-V132 PolarHBondContact O-N 3.11Å; R127-V132 VanDerWaalsContact O-N 3.08Å; G130-V132 PolarHBondContact O-N 2.91Å; G130-V132 VanDerWaalsContact O-N 3.11Å; V132-L134 PolarHBondContact O-N 2.66Å; V132-H135 WeakPolarHBondContact O-CB 3.34Å; V132-H135 PolarHBondContact O-N 3.21Å; V132-H135 VanDerWaalsContact O-N 3.1Å; V132-I136 HydrophobicContact CG2-CD1 4.27Å; V132-I136 HydrophobicContact CG2-CG1 4.45Å; V132-I136 WeakPolarHBondContact O-CG1 3.38Å; V132-I136 PolarHBondContact O-N 3.17Å; V132-V527 HydrophobicContact CG2-CG2 4.16Å; V132-T530 HydrophobicContact CB-CG2 3.96Å; V132-T530 HydrophobicContact CG1-CG2 4.43Å; V132-T530 HydrophobicContact CG2-CG2 3.91Å
133L91.8Very high90.3Very high122 Ų12264 Ų6464%0.63931%0.313SS*.Hα-helixtrans-62.7-30.9176-67.3175.9000112.3G130 W131 F137G130-L133 WeakPolarHBondContact O-CB 3.45Å; G130-L133 WeakPolarHBondContact O-CG 3.42Å; G130-L133 PolarHBondContact O-N 3.15Å; W131-L133 PolarHBondContact O-N 3.06Å; L133-F137 VanDerWaalsContact O-CB 3.3Å; L133-F137 WeakPolarHBondContact O-CB 3.5Å; L133-F137 PolarHBondContact O-N 3.08Å
134L92Very high90.4Very high93 Ų9363.6 Ų63.649%0.48731%0.308SS..Hα-helixtrans-68.6-39.1174.9-171.5152.3000111W131 V132 F137 G138W131-L134 WeakPolarHBondContact O-CB 3.45Å; W131-L134 PolarHBondContact O-N 3.45Å; W131-L134 VanDerWaalsContact O-N 3.15Å; V132-L134 PolarHBondContact O-N 2.66Å; L134-F137 PolarHBondContact O-N 2.91Å; L134-G138 PolarHBondContact O-N 3.32Å
135H92.1Very high90.7Very high2 Ų262 Ų621%0.00930%0.299CS..Hα-helixtrans-66.3-44.8174.9-73.187.1000112.4D120 V132 F137 G138 M139 W523 V527D120-H135 IonicContact OD1-CE1 2.72Å; D120-H135 IonicContact OD1-NE2 3.17Å; D120-H135 PolarHBondContact OD1-NE2 2.78Å; D120-H135 IonicContact OD2-CE1 3.17Å; D120-H135 PolarHBondContact OD2-CE1 2.93Å; D120-H135 IonicContact OD2-NE2 3.97Å; D120-H135 PolarHBondContact OD2-NE2 3.05Å; V132-H135 WeakPolarHBondContact O-CB 3.34Å; V132-H135 PolarHBondContact O-N 3.21Å; V132-H135 VanDerWaalsContact O-N 3.1Å; H135-F137 VanDerWaalsContact C-N 3.31Å; H135-F137 PolarHBondContact O-N 3.38Å; H135-G138 PolarHBondContact O-N 2.95Å; H135-M139 WeakPolarHBondContact O-CB 3.27Å; H135-M139 PolarHBondContact O-N 2.81Å; H135-W523 AromaticContact CD2-CD1 3.69Å; H135-V527 HydrophobicContact CB-CG2 3.72Å
136I92.1Very high90.9Very high55 Ų5556.8 Ų56.828%0.28227%0.274SS..Hα-helixtrans-61.1-42.5175.2-66.1167.2000110.4V132 M139 I140 V527V132-I136 HydrophobicContact CG2-CD1 4.27Å; V132-I136 HydrophobicContact CG2-CG1 4.45Å; V132-I136 WeakPolarHBondContact O-CG1 3.38Å; V132-I136 PolarHBondContact O-N 3.17Å; I136-M139 PolarHBondContact O-N 3.16Å; I136-I140 HydrophobicContact CG2-CD1 4.04Å; I136-I140 WeakPolarHBondContact O-CG1 3.28Å; I136-I140 PolarHBondContact O-N 3.07Å; I136-V527 HydrophobicContact CG1-CG1 4.11Å; I136-V527 HydrophobicContact CG1-CG2 3.79Å
137F92.4Very high90.8Very high123 Ų12353.3 Ų53.354%0.53926%0.26SS..Hα-helixtrans-64.1-44175.8-176.2-100.8000112.5L133 L134 H135 I140 Y141 F478L133-F137 VanDerWaalsContact O-CB 3.3Å; L133-F137 WeakPolarHBondContact O-CB 3.5Å; L133-F137 PolarHBondContact O-N 3.08Å; L134-F137 PolarHBondContact O-N 2.91Å; H135-F137 VanDerWaalsContact C-N 3.31Å; H135-F137 PolarHBondContact O-N 3.38Å; F137-I140 PolarHBondContact O-N 3.49Å; F137-Y141 WeakPolarHBondContact O-CB 3.39Å; F137-Y141 PolarHBondContact O-N 2.83Å; F137-F478 AromaticContact CE1-CE2 3.99Å; F137-F478 HydrophobicContact CE1-CE2 3.99Å; F137-F478 HydrophobicContact CE1-CZ 4.29Å; F137-F478 HydrophobicContact CE2-CE2 4.39Å; F137-F478 HydrophobicContact CE2-CZ 4.18Å; F137-F478 AromaticContact CZ-CE2 3.44Å; F137-F478 HydrophobicContact CZ-CE2 3.44Å; F137-F478 VanDerWaalsContact CZ-CE2 3.44Å; F137-F478 AromaticContact CZ-CZ 3.6Å; F137-F478 HydrophobicContact CZ-CZ 3.6Å
138G91.9Very high90.5Very high8 Ų853 Ų538%0.08226%0.259CS..Hα-helixtrans-59.8-45.9174.200000112.2L134 H135 I140 Y141 V142 W523L134-G138 PolarHBondContact O-N 3.32Å; H135-G138 PolarHBondContact O-N 2.95Å; G138-I140 PolarHBondContact O-N 3.37Å; G138-Y141 WeakPolarHBondContact O-CB 3.36Å; G138-Y141 PolarHBondContact O-N 2.69Å; G138-Y141 VanDerWaalsContact O-N 3.13Å; G138-V142 PolarHBondContact O-N 3.39Å; G138-W523 VanDerWaalsContact CA-CZ3 3.45Å; G138-W523 WeakPolarHBondContact O-CZ3 3.4Å
139M91.5Very high90.6Very high11 Ų1146.5 Ų46.55%0.05423%0.234CC..Hα-helixtrans-58-48.3176.6-175-174.969.500111.4H135 I136 Y141 V142 F143 W523 A524 I542H135-M139 WeakPolarHBondContact O-CB 3.27Å; H135-M139 PolarHBondContact O-N 2.81Å; I136-M139 PolarHBondContact O-N 3.16Å; M139-Y141 VanDerWaalsContact C-N 3.33Å; M139-Y141 PolarHBondContact O-N 2.78Å; M139-V142 PolarHBondContact O-N 3Å; M139-F143 HydrophobicContact CE-CE2 4.32Å; M139-F143 HydrophobicContact CG-CD2 4.1Å; M139-F143 HydrophobicContact CG-CE2 3.59Å; M139-F143 HydrophobicContact CG-CZ 4.4Å; M139-F143 WeakPolarHBondContact O-CD2 3.35Å; M139-F143 PolarHBondContact O-N 2.96Å; M139-F143 HydrophobicContact SD-CE2 4.16Å; M139-W523 HydrophobicContact CB-CB 4.46Å; M139-A524 HydrophobicContact SD-CB 4.01Å; M139-I542 HydrophobicContact CE-CG2 3.7Å; M139-I542 HydrophobicContact SD-CG2 3.99Å
140I90.7Very high90.6Very high96 Ų9639.3 Ų39.349%0.49220%0.201SC..Hα-helixtrans-60.5-41.8174.2-66.9166.5000111.4I136 F137 G138 V142 F143 V144I136-I140 HydrophobicContact CG2-CD1 4.04Å; I136-I140 WeakPolarHBondContact O-CG1 3.28Å; I136-I140 PolarHBondContact O-N 3.07Å; F137-I140 PolarHBondContact O-N 3.49Å; G138-I140 PolarHBondContact O-N 3.37Å; I140-V142 VanDerWaalsContact C-N 3.31Å; I140-V142 PolarHBondContact O-N 3.21Å; I140-F143 PolarHBondContact O-N 3.43Å; I140-V144 WeakPolarHBondContact O-CG2 3.19Å; I140-V144 PolarHBondContact O-N 3.08Å; I140-V144 VanDerWaalsContact O-N 3.12Å
141Y91.1Very high90.3Very high40 Ų4039 Ų3916%0.15719%0.192CC..Hα-helixtrans-62.4-38.3178.2-169.4-116.5000112.4F137 G138 M139 V144 A145 F478 L479 P481 I482F137-Y141 WeakPolarHBondContact O-CB 3.39Å; F137-Y141 PolarHBondContact O-N 2.83Å; G138-Y141 WeakPolarHBondContact O-CB 3.36Å; G138-Y141 PolarHBondContact O-N 2.69Å; G138-Y141 VanDerWaalsContact O-N 3.13Å; M139-Y141 VanDerWaalsContact C-N 3.33Å; M139-Y141 PolarHBondContact O-N 2.78Å; Y141-V144 PolarHBondContact O-N 2.76Å; Y141-A145 PolarHBondContact O-N 3.28Å; Y141-F478 AromaticContact CD2-CE1 3.75Å; Y141-F478 HydrophobicContact CD2-CE1 3.75Å; Y141-F478 AromaticContact CD2-CE2 3.77Å; Y141-F478 HydrophobicContact CD2-CE2 3.77Å; Y141-F478 AromaticContact CD2-CZ 3.27Å; Y141-F478 HydrophobicContact CD2-CZ 3.27Å; Y141-F478 HydrophobicContact CE2-CD1 4.25Å; Y141-F478 HydrophobicContact CE2-CD2 4.11Å; Y141-F478 AromaticContact CE2-CE1 3.81Å; Y141-F478 HydrophobicContact CE2-CE1 3.81Å; Y141-F478 AromaticContact CE2-CE2 3.61Å; Y141-F478 HydrophobicContact CE2-CE2 3.61Å; Y141-F478 HydrophobicContact CE2-CG 4.41Å; Y141-F478 AromaticContact CE2-CZ 3.49Å; Y141-F478 HydrophobicContact CE2-CZ 3.49Å; Y141-F478 VanDerWaalsContact CE2-CZ 3.49Å; Y141-F478 WeakPolarHBondContact CE2-O 3.34Å; Y141-F478 HydrophobicContact CG-CZ 4.4Å; Y141-F478 PolarHBondContact OH-O 2.92Å; Y141-L479 HydrophobicContact CE2-CD2 4.4Å; Y141-P481 WeakPolarHBondContact OH-CB 3.35Å; Y141-P481 WeakPolarHBondContact OH-CD 3.47Å; Y141-P481 WeakPolarHBondContact OH-CG 3.49Å; Y141-I482 HydrophobicContact CD1-CD1 3.9Å; Y141-I482 HydrophobicContact CD1-CG1 4.29Å; Y141-I482 HydrophobicContact CD2-CD1 3.91Å; Y141-I482 HydrophobicContact CE1-CD1 3.5Å; Y141-I482 VanDerWaalsContact CE1-CD1 3.5Å; Y141-I482 HydrophobicContact CE1-CG1 3.57Å; Y141-I482 HydrophobicContact CE2-CD1 3.54Å; Y141-I482 HydrophobicContact CE2-CG1 4.35Å; Y141-I482 HydrophobicContact CG-CD1 4.1Å
142V92.3Very high90Very high5 Ų533.1 Ų33.13%0.0317%0.17CC..Hα-helixtrans-77.1-31.7177.5164.80000112.7G138 M139 I140 V144 A145 L146 F516 L519 M520 W523G138-V142 PolarHBondContact O-N 3.39Å; M139-V142 PolarHBondContact O-N 3Å; I140-V142 VanDerWaalsContact C-N 3.31Å; I140-V142 PolarHBondContact O-N 3.21Å; V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 PolarHBondContact O-N 3.4Å; V142-A145 WeakPolarHBondContact O-CA 3.4Å; V142-A145 WeakPolarHBondContact O-CB 3.38Å; V142-A145 PolarHBondContact O-N 2.87Å; V142-A145 VanDerWaalsContact O-N 3.12Å; V142-L146 HydrophobicContact CG1-CD1 4.41Å; V142-L146 PolarHBondContact O-N 2.71Å; V142-F516 HydrophobicContact CG1-CB 4.04Å; V142-F516 WeakPolarHBondContact CG1-O 3.45Å; V142-L519 HydrophobicContact CG1-CB 4.43Å; V142-L519 HydrophobicContact CG2-CB 4.29Å; V142-M520 HydrophobicContact CG1-CB 3.77Å; V142-W523 HydrophobicContact CB-CZ3 4.34Å; V142-W523 HydrophobicContact CG2-CE3 4.1Å; V142-W523 HydrophobicContact CG2-CH2 4.34Å; V142-W523 HydrophobicContact CG2-CZ3 3.47Å; V142-W523 VanDerWaalsContact CG2-CZ3 3.47Å
143F91.4Very high89.9Confident28 Ų2832.1 Ų32.112%0.12316%0.164CC..Hα-helixtrans-58.7-44.2167-77.6-60000111.5M139 I140 A145 L146 A147 M520 G546 T547M139-F143 HydrophobicContact CE-CE2 4.32Å; M139-F143 HydrophobicContact CG-CD2 4.1Å; M139-F143 HydrophobicContact CG-CE2 3.59Å; M139-F143 HydrophobicContact CG-CZ 4.4Å; M139-F143 WeakPolarHBondContact O-CD2 3.35Å; M139-F143 PolarHBondContact O-N 2.96Å; M139-F143 HydrophobicContact SD-CE2 4.16Å; I140-F143 PolarHBondContact O-N 3.43Å; F143-A145 VanDerWaalsContact C-N 3.29Å; F143-A145 PolarHBondContact O-N 2.9Å; F143-L146 PolarHBondContact O-N 3.18Å; F143-A147 WeakPolarHBondContact O-CB 3.37Å; F143-A147 PolarHBondContact O-N 3.17Å; F143-M520 HydrophobicContact CD1-CG 4.35Å; F143-M520 HydrophobicContact CD1-SD 3.63Å; F143-M520 HydrophobicContact CE1-CE 4.47Å; F143-M520 HydrophobicContact CE1-CG 3.89Å; F143-M520 HydrophobicContact CE1-SD 3.16Å; F143-M520 WeakPolarHBondContact CE1-SD 3.32Å; F143-M520 HydrophobicContact CZ-CG 4.01Å; F143-M520 HydrophobicContact CZ-SD 3.85Å; F143-G546 VanDerWaalsContact CD1-C 3.44Å; F143-G546 WeakPolarHBondContact CD1-O 3.31Å; F143-G546 VanDerWaalsContact CE1-C 3.43Å; F143-T547 HydrophobicContact CE1-CG2 4.25Å
144V89.1Confident89.8Confident38 Ų3827.1 Ų27.123%0.2314%0.137CC..Hα-helixtrans-63.9-35.6173.9176.30000111.3I140 Y141 V142 I148 L479I140-V144 WeakPolarHBondContact O-CG2 3.19Å; I140-V144 PolarHBondContact O-N 3.08Å; I140-V144 VanDerWaalsContact O-N 3.12Å; Y141-V144 PolarHBondContact O-N 2.76Å; V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 PolarHBondContact O-N 3.4Å; V144-I148 HydrophobicContact CG1-CD1 3.91Å; V144-I148 WeakPolarHBondContact O-CB 3.24Å; V144-I148 WeakPolarHBondContact O-CD1 3.49Å; V144-I148 VanDerWaalsContact O-CG1 3.25Å; V144-I148 WeakPolarHBondContact O-CG1 3.26Å; V144-I148 PolarHBondContact O-N 2.8Å; V144-L479 HydrophobicContact CG1-CD2 3.77Å
145A90.5Very high89.6Confident0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-64.9-45.4174.500000112.7Y141 V142 F143 I148 V149 I482 F516Y141-A145 PolarHBondContact O-N 3.28Å; V142-A145 WeakPolarHBondContact O-CA 3.4Å; V142-A145 WeakPolarHBondContact O-CB 3.38Å; V142-A145 PolarHBondContact O-N 2.87Å; V142-A145 VanDerWaalsContact O-N 3.12Å; F143-A145 VanDerWaalsContact C-N 3.29Å; F143-A145 PolarHBondContact O-N 2.9Å; A145-I148 PolarHBondContact O-N 2.9Å; A145-V149 WeakPolarHBondContact O-CG2 3.18Å; A145-V149 PolarHBondContact O-N 2.87Å; A145-I482 HydrophobicContact CB-CD1 3.73Å; A145-I482 HydrophobicContact CB-CG1 3.93Å; A145-I482 HydrophobicContact CB-CG2 3.79Å; A145-F516 HydrophobicContact CB-CD1 4.03Å; A145-F516 HydrophobicContact CB-CD2 3.9Å; A145-F516 HydrophobicContact CB-CE1 3.98Å; A145-F516 HydrophobicContact CB-CE2 3.83Å; A145-F516 HydrophobicContact CB-CG 4.02Å; A145-F516 HydrophobicContact CB-CZ 3.88Å
146L90.5Very high89.4Confident4 Ų424 Ų242%0.02112%0.122CC..Hα-helixtrans-58.7-51.1175.5-78.7165.7000111.1V142 F143 I148 V149 C150 P184 I513 F516 M520V142-L146 HydrophobicContact CG1-CD1 4.41Å; V142-L146 PolarHBondContact O-N 2.71Å; F143-L146 PolarHBondContact O-N 3.18Å; L146-I148 VanDerWaalsContact C-N 3.3Å; L146-I148 PolarHBondContact O-N 3.11Å; L146-V149 PolarHBondContact O-N 3.08Å; L146-C150 PolarHBondContact O-N 3.17Å; L146-C150 PolarHBondContact O-SG 3.42Å; L146-C150 VanDerWaalsContact O-SG 3.34Å; L146-P184 HydrophobicContact CD1-CB 4.4Å; L146-P184 HydrophobicContact CD2-CB 4.3Å; L146-P184 HydrophobicContact CD2-CG 4.41Å; L146-I513 HydrophobicContact CD2-CB 4.47Å; L146-I513 HydrophobicContact CD2-CG2 3.97Å; L146-F516 HydrophobicContact CD2-CB 3.6Å; L146-F516 HydrophobicContact CG-CB 3.73Å; L146-M520 HydrophobicContact CD1-CB 4.36Å; L146-M520 HydrophobicContact CD1-CE 4.42Å; L146-M520 HydrophobicContact CD1-CG 4.42Å; L146-M520 HydrophobicContact CD1-SD 3.4Å; L146-M520 WeakPolarHBondContact CD1-SD 3.23Å
147A87.2Confident89.3Confident8 Ų821.4 Ų21.47%0.06611%0.109CC..Hα-helixtrans-52.9-46.4176.400000112.2F143 C150 D151 I352 P550F143-A147 WeakPolarHBondContact O-CB 3.37Å; F143-A147 PolarHBondContact O-N 3.17Å; A147-C150 PolarHBondContact O-N 2.92Å; A147-D151 WeakPolarHBondContact O-CB 3.06Å; A147-D151 PolarHBondContact O-N 3.5Å; A147-I352 HydrophobicContact CB-CD1 3.84Å; A147-P550 HydrophobicContact CB-CG 3.71Å
148I85.4Confident89.1Confident4 Ų416 Ų162%0.0219%0.085CC..Hα-helixtrans-62.6-42.9176.2-72.5167.8000111.6V144 A145 L146 E152 F353 L479 L486V144-I148 HydrophobicContact CG1-CD1 3.91Å; V144-I148 WeakPolarHBondContact O-CB 3.24Å; V144-I148 WeakPolarHBondContact O-CD1 3.49Å; V144-I148 VanDerWaalsContact O-CG1 3.25Å; V144-I148 WeakPolarHBondContact O-CG1 3.26Å; V144-I148 PolarHBondContact O-N 2.8Å; A145-I148 PolarHBondContact O-N 2.9Å; L146-I148 VanDerWaalsContact C-N 3.3Å; L146-I148 PolarHBondContact O-N 3.11Å; I148-E152 HydrophobicContact CG2-CG 4.13Å; I148-E152 WeakPolarHBondContact O-CB 3.18Å; I148-E152 VanDerWaalsContact O-CG 3.25Å; I148-E152 WeakPolarHBondContact O-CG 3.34Å; I148-E152 PolarHBondContact O-N 2.82Å; I148-F353 HydrophobicContact CD1-CD2 4.24Å; I148-F353 HydrophobicContact CD1-CE2 4.21Å; I148-F353 HydrophobicContact CG1-CD2 4.5Å; I148-L479 HydrophobicContact CD1-CD1 4.43Å; I148-L479 HydrophobicContact CD1-CD2 4.37Å; I148-L486 HydrophobicContact CG2-CD1 4.03Å
149V90.6Very high88.9Confident1 Ų116 Ų161%0.0069%0.086CC..Hα-helixtrans-69.3-40.1-179.4-179.30000112A145 L146 Y153 F154 L486 W512 I513 F516A145-V149 WeakPolarHBondContact O-CG2 3.18Å; A145-V149 PolarHBondContact O-N 2.87Å; L146-V149 PolarHBondContact O-N 3.08Å; V149-Y153 PolarHBondContact O-N 3.1Å; V149-F154 PolarHBondContact O-N 3.39Å; V149-L486 HydrophobicContact CG2-CD1 3.57Å; V149-L486 HydrophobicContact CG2-CD2 3.53Å; V149-L486 HydrophobicContact CG2-CG 4.2Å; V149-W512 HydrophobicContact CG1-CB 4.1Å; V149-W512 HydrophobicContact CG2-CB 4.16Å; V149-I513 HydrophobicContact CB-CG1 4.2Å; V149-I513 HydrophobicContact CG1-CD1 4.19Å; V149-I513 HydrophobicContact CG1-CG1 3.64Å; V149-F516 HydrophobicContact CG2-CD2 3.87Å; V149-F516 HydrophobicContact CG2-CE2 3.62Å
150C89.1Confident88.8Confident4 Ų416 Ų163%0.0279%0.086CC..Iπ-helixtrans-63.9-56.2178.7-65.50000110.8L146 A147 F154 V155 P184L146-C150 PolarHBondContact O-N 3.17Å; L146-C150 PolarHBondContact O-SG 3.42Å; L146-C150 VanDerWaalsContact O-SG 3.34Å; A147-C150 PolarHBondContact O-N 2.92Å; C150-F154 PolarHBondContact O-N 3.17Å; C150-V155 WeakPolarHBondContact O-CB 3.47Å; C150-V155 WeakPolarHBondContact O-CG2 3.37Å; C150-V155 PolarHBondContact O-N 3Å; C150-P184 VanDerWaalsContact SG-CG 3.55Å
151D83.3Confident88.7Confident27 Ų2712.7 Ų12.714%0.1447%0.069CC..Iπ-helixtrans-76.5-37.2-172.1-74.113.3000113.8A147 P156 I352A147-D151 WeakPolarHBondContact O-CB 3.06Å; A147-D151 PolarHBondContact O-N 3.5Å; D151-P156 WeakPolarHBondContact O-CD 3.33Å; D151-P156 VanDerWaalsContact O-CG 3.23Å; D151-P156 WeakPolarHBondContact O-CG 3.43Å; D151-I352 WeakPolarHBondContact OD2-CD1 3.38Å; D151-I352 WeakPolarHBondContact OD2-CG1 3.44Å
152E82.9Confident88.5Confident4 Ų411.2 Ų11.22%0.0196%0.064CC..Iπ-helixtrans-90.3-21.8-172.2-54.9-74130.500113.1I148 T351 L462 R494I148-E152 HydrophobicContact CG2-CG 4.13Å; I148-E152 WeakPolarHBondContact O-CB 3.18Å; I148-E152 VanDerWaalsContact O-CG 3.25Å; I148-E152 WeakPolarHBondContact O-CG 3.34Å; I148-E152 PolarHBondContact O-N 2.82Å; E152-T351 WeakPolarHBondContact OE1-CB 3.43Å; E152-T351 WeakPolarHBondContact OE1-CG2 3.35Å; E152-L462 WeakPolarHBondContact OE2-CD1 3.5Å; E152-R494 IonicContact OE1-NH1 3.06Å; E152-R494 IonicContact OE2-CZ 3.37Å; E152-R494 IonicContact OE2-NH1 3.59Å; E152-R494 PolarHBondContact OE2-NH1 3.47Å; E152-R494 IonicContact OE2-NH2 2.81Å; E152-R494 PolarHBondContact OE2-NH2 3.1Å
153Y89.1Confident88.2Confident2 Ų215.1 Ų15.11%0.0088%0.082CC..Iπ-helixtrans-128.3-50-174.3-61.6-91.8000113.6V149 A157 L486 V490 D492 T505V149-Y153 PolarHBondContact O-N 3.1Å; Y153-A157 VanDerWaalsContact O-CB 3.26Å; Y153-A157 WeakPolarHBondContact O-CB 3.37Å; Y153-A157 PolarHBondContact O-N 3.11Å; Y153-A157 VanDerWaalsContact O-N 3.13Å; Y153-L486 HydrophobicContact CE2-CB 4.23Å; Y153-L486 HydrophobicContact CE2-CD1 4.35Å; Y153-V490 HydrophobicContact CD1-CB 3.97Å; Y153-V490 HydrophobicContact CD1-CG1 3.54Å; Y153-V490 HydrophobicContact CE1-CB 4.11Å; Y153-V490 HydrophobicContact CE1-CG1 4.17Å; Y153-V490 HydrophobicContact CG-CG1 4.22Å; Y153-D492 HydrophobicContact CE1-CB 4.27Å; Y153-T505 HydrophobicContact CD1-CG2 4.46Å
154F91.2Very high88.1Confident16 Ų1620 Ų207%0.0710%0.103CC..Iπ-helixtrans-74.4-54-172.8-172.2-126.5000112.9V149 C150 A157 L158 A183 F506 S509 I510 I513V149-F154 PolarHBondContact O-N 3.39Å; C150-F154 PolarHBondContact O-N 3.17Å; F154-A157 WeakPolarHBondContact O-CB 3.45Å; F154-A157 PolarHBondContact O-N 2.76Å; F154-A157 VanDerWaalsContact O-N 3.11Å; F154-L158 HydrophobicContact CD1-CD1 3.74Å; F154-L158 HydrophobicContact CD2-CD1 4.37Å; F154-L158 HydrophobicContact CE1-CD1 3.56Å; F154-L158 HydrophobicContact CE2-CD1 4.25Å; F154-L158 HydrophobicContact CE2-CG 4.46Å; F154-L158 HydrophobicContact CG-CD1 4.15Å; F154-L158 HydrophobicContact CZ-CD1 3.86Å; F154-L158 HydrophobicContact CZ-CG 4.41Å; F154-L158 WeakPolarHBondContact O-CG 3.46Å; F154-L158 PolarHBondContact O-N 2.85Å; F154-A183 HydrophobicContact CD1-CB 3.87Å; F154-A183 HydrophobicContact CE1-CB 3.54Å; F154-A183 HydrophobicContact CZ-CB 4.42Å; F154-F506 HydrophobicContact CD2-CD2 4.04Å; F154-F506 HydrophobicContact CD2-CE2 4.21Å; F154-F506 AromaticContact CE2-CD2 3.63Å; F154-F506 HydrophobicContact CE2-CD2 3.63Å; F154-F506 AromaticContact CE2-CE2 3.37Å; F154-F506 HydrophobicContact CE2-CE2 3.37Å; F154-F506 HydrophobicContact CE2-CZ 4.11Å; F154-F506 HydrophobicContact CZ-CE2 4.02Å; F154-S509 WeakPolarHBondContact CD2-OG 3.25Å; F154-I510 HydrophobicContact CD2-CG1 4.29Å; F154-I510 HydrophobicContact CE2-CD1 3.98Å; F154-I510 HydrophobicContact CE2-CG1 3.68Å; F154-I510 HydrophobicContact CZ-CG1 4.34Å; F154-I513 HydrophobicContact CB-CD1 4.1Å; F154-I513 HydrophobicContact CD1-CD1 4.05Å; F154-I513 HydrophobicContact CG-CD1 3.98Å
155V87.9Confident87.9Confident29 Ų2923.5 Ų23.518%0.17612%0.12CC..Hα-helixtrans-60.5-43177.7171.40000111.7C150 A157 L158 G159 M177C150-V155 WeakPolarHBondContact O-CB 3.47Å; C150-V155 WeakPolarHBondContact O-CG2 3.37Å; C150-V155 PolarHBondContact O-N 3Å; V155-A157 PolarHBondContact O-N 3.09Å; V155-L158 WeakPolarHBondContact O-CB 3.48Å; V155-L158 PolarHBondContact O-N 2.73Å; V155-G159 PolarHBondContact O-N 3.27Å; V155-M177 HydrophobicContact CG1-SD 4.01Å
156P86.6Confident87.7Confident2 Ų232.2 Ų32.21%0.01316%0.161CC..Hα-helixtrans-61.4-38.8171.5-28.838.6000113.4D151 G159 V160 V493 R494D151-P156 WeakPolarHBondContact O-CD 3.33Å; D151-P156 VanDerWaalsContact O-CG 3.23Å; D151-P156 WeakPolarHBondContact O-CG 3.43Å; P156-G159 PolarHBondContact O-N 3.22Å; P156-V160 WeakPolarHBondContact O-CG2 3.1Å; P156-V160 PolarHBondContact O-N 3.07Å; P156-V493 HydrophobicContact CB-CG2 3.61Å; P156-R494 HydrophobicContact CB-CG 4.32Å
157A90.6Very high87.2Confident0 Ų034.3 Ų34.30%017%0.171CC..Hα-helixtrans-66.5-40.7175.900000112.1Y153 F154 V155 G159 V160 I161 T505 F506Y153-A157 VanDerWaalsContact O-CB 3.26Å; Y153-A157 WeakPolarHBondContact O-CB 3.37Å; Y153-A157 PolarHBondContact O-N 3.11Å; Y153-A157 VanDerWaalsContact O-N 3.13Å; F154-A157 WeakPolarHBondContact O-CB 3.45Å; F154-A157 PolarHBondContact O-N 2.76Å; F154-A157 VanDerWaalsContact O-N 3.11Å; V155-A157 PolarHBondContact O-N 3.09Å; A157-G159 VanDerWaalsContact C-N 3.3Å; A157-G159 PolarHBondContact O-N 3.26Å; A157-V160 PolarHBondContact O-N 2.87Å; A157-I161 VanDerWaalsContact O-CG1 3.31Å; A157-I161 WeakPolarHBondContact O-CG1 3.34Å; A157-I161 PolarHBondContact O-N 3.13Å; A157-T505 HydrophobicContact CB-CG2 3.97Å; A157-F506 HydrophobicContact CB-CB 4.09Å
158L88.6Confident86.6Confident9 Ų937 Ų375%0.04719%0.19CC..Hα-helixtrans-57.9-41.1170.1-75158.6000111.5F154 V155 V160 I161 T162 F176 M177 F506F154-L158 HydrophobicContact CD1-CD1 3.74Å; F154-L158 HydrophobicContact CD2-CD1 4.37Å; F154-L158 HydrophobicContact CE1-CD1 3.56Å; F154-L158 HydrophobicContact CE2-CD1 4.25Å; F154-L158 HydrophobicContact CE2-CG 4.46Å; F154-L158 HydrophobicContact CG-CD1 4.15Å; F154-L158 HydrophobicContact CZ-CD1 3.86Å; F154-L158 HydrophobicContact CZ-CG 4.41Å; F154-L158 WeakPolarHBondContact O-CG 3.46Å; F154-L158 PolarHBondContact O-N 2.85Å; V155-L158 WeakPolarHBondContact O-CB 3.48Å; V155-L158 PolarHBondContact O-N 2.73Å; L158-V160 PolarHBondContact O-N 3.2Å; L158-I161 WeakPolarHBondContact O-CB 3.09Å; L158-I161 PolarHBondContact O-N 3.35Å; L158-I161 VanDerWaalsContact O-N 3.12Å; L158-T162 WeakPolarHBondContact O-CG2 3.47Å; L158-T162 PolarHBondContact O-N 3.4Å; L158-T162 PolarHBondContact O-OG1 3.25Å; L158-F176 WeakPolarHBondContact CD1-O 3.25Å; L158-F176 HydrophobicContact CD2-CB 4.38Å; L158-F176 HydrophobicContact CD2-CD1 3.87Å; L158-M177 HydrophobicContact CB-CE 3.61Å; L158-F506 HydrophobicContact CD2-CD2 4.48Å; L158-F506 HydrophobicContact CD2-CE2 3.8Å; L158-F506 HydrophobicContact CG-CD2 4.45Å; L158-F506 HydrophobicContact CG-CE2 4.16Å
159G87.5Confident86Confident9 Ų941.5 Ų41.59%0.09321%0.211CC..Hα-helixtrans-63.1-38.317600000113.6V155 P156 A157 I161 T162 E163V155-G159 PolarHBondContact O-N 3.27Å; P156-G159 PolarHBondContact O-N 3.22Å; A157-G159 VanDerWaalsContact C-N 3.3Å; A157-G159 PolarHBondContact O-N 3.26Å; G159-I161 VanDerWaalsContact C-N 3.34Å; G159-T162 PolarHBondContact O-OG1 3.39Å; G159-E163 WeakPolarHBondContact O-CB 3.48Å; G159-E163 PolarHBondContact O-N 3.12Å; G159-E163 VanDerWaalsContact O-N 3.12Å
160V88.4Confident84.8Confident9 Ų946.9 Ų46.96%0.05524%0.24CC..Hα-helixtrans-68.6-35172.3-177.60000111.1P156 A157 L158 K164 V493 K499 F502P156-V160 WeakPolarHBondContact O-CG2 3.1Å; P156-V160 PolarHBondContact O-N 3.07Å; A157-V160 PolarHBondContact O-N 2.87Å; L158-V160 PolarHBondContact O-N 3.2Å; V160-K164 HydrophobicContact CG1-CG 4.3Å; V160-K164 WeakPolarHBondContact O-CB 3.25Å; V160-K164 WeakPolarHBondContact O-CG 3.48Å; V160-K164 PolarHBondContact O-N 3.27Å; V160-V493 HydrophobicContact CG2-CB 4.29Å; V160-V493 HydrophobicContact CG2-CG2 4.39Å; V160-K499 HydrophobicContact CG1-CG 4.04Å; V160-K499 HydrophobicContact CG2-CD 4.5Å; V160-K499 HydrophobicContact CG2-CG 4.05Å; V160-F502 HydrophobicContact CB-CB 4.06Å; V160-F502 HydrophobicContact CB-CG 4.39Å; V160-F502 HydrophobicContact CG1-CB 3.82Å; V160-F502 HydrophobicContact CG1-CD1 4.05Å; V160-F502 HydrophobicContact CG1-CD2 4.4Å; V160-F502 HydrophobicContact CG1-CG 3.82Å
161I89.5Confident84.1Confident27 Ų2747.2 Ų47.214%0.13824%0.242CC..Hα-helixtrans-64.9-46.8176-69.5162.9000110.9A157 L158 G159 K164 L165 F176 F502 F506A157-I161 VanDerWaalsContact O-CG1 3.31Å; A157-I161 WeakPolarHBondContact O-CG1 3.34Å; A157-I161 PolarHBondContact O-N 3.13Å; L158-I161 WeakPolarHBondContact O-CB 3.09Å; L158-I161 PolarHBondContact O-N 3.35Å; L158-I161 VanDerWaalsContact O-N 3.12Å; G159-I161 VanDerWaalsContact C-N 3.34Å; I161-K164 PolarHBondContact O-N 3.36Å; I161-L165 HydrophobicContact CG2-CD1 3.68Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 WeakPolarHBondContact O-CB 3.23Å; I161-L165 WeakPolarHBondContact O-CG 3.08Å; I161-L165 PolarHBondContact O-N 2.95Å; I161-F176 HydrophobicContact CG2-CE1 4.49Å; I161-F502 HydrophobicContact CD1-CD2 4.36Å; I161-F502 HydrophobicContact CG1-CD2 3.62Å; I161-F502 HydrophobicContact CG1-CE2 3.7Å; I161-F506 HydrophobicContact CD1-CB 4.31Å; I161-F506 HydrophobicContact CD1-CD2 3.58Å; I161-F506 HydrophobicContact CD1-CE2 3.97Å; I161-F506 HydrophobicContact CD1-CG 3.9Å
162T86.6Confident83.7Confident9 Ų946.4 Ų46.46%0.05524%0.238CC..Hα-helixtrans-65.8-40.2-179.854.60000112.2L158 G159 L165 Q166 I167 A172 F176 M177L158-T162 WeakPolarHBondContact O-CG2 3.47Å; L158-T162 PolarHBondContact O-N 3.4Å; L158-T162 PolarHBondContact O-OG1 3.25Å; G159-T162 PolarHBondContact O-OG1 3.39Å; T162-L165 PolarHBondContact O-N 3.27Å; T162-Q166 PolarHBondContact O-N 2.92Å; T162-I167 HydrophobicContact CG2-CD1 4.38Å; T162-I167 PolarHBondContact O-N 3Å; T162-I167 VanDerWaalsContact O-N 3.11Å; T162-A172 HydrophobicContact CG2-CB 3.75Å; T162-F176 HydrophobicContact CG2-CB 3.64Å; T162-F176 HydrophobicContact CG2-CD1 4.12Å; T162-F176 HydrophobicContact CG2-CD2 3.9Å; T162-F176 HydrophobicContact CG2-CG 3.61Å; T162-M177 HydrophobicContact CG2-CE 4.44Å
163E87.3Confident83.2Confident88 Ų8847.3 Ų47.341%0.41125%0.249SC..Hα-helixtrans-57.4-47.8170.9-177-162.5150.600111.4G159 L165 Q166 K499G159-E163 WeakPolarHBondContact O-CB 3.48Å; G159-E163 PolarHBondContact O-N 3.12Å; G159-E163 VanDerWaalsContact O-N 3.12Å; E163-L165 PolarHBondContact O-N 2.89Å; E163-Q166 PolarHBondContact O-N 3.45Å; E163-K499 VanDerWaalsContact CD-NZ 3.35Å; E163-K499 IonicContact OE1-NZ 2.66Å; E163-K499 PolarHBondContact OE1-NZ 3.19Å; E163-K499 WeakPolarHBondContact OE2-CE 3.27Å; E163-K499 IonicContact OE2-NZ 2.8Å; E163-K499 PolarHBondContact OE2-NZ 3.04Å
164K87.6Confident82.2Confident130 Ų13047.6 Ų47.657%0.56525%0.251SS*.Hα-helixtrans-69.5-30.3-179.1-70.2-66.3173.7-151.90113.7V160 I161 Q166V160-K164 HydrophobicContact CG1-CG 4.3Å; V160-K164 WeakPolarHBondContact O-CB 3.25Å; V160-K164 WeakPolarHBondContact O-CG 3.48Å; V160-K164 PolarHBondContact O-N 3.27Å; I161-K164 PolarHBondContact O-N 3.36Å; K164-Q166 VanDerWaalsContact C-N 3.34Å
165L86.5Confident81.7Confident112 Ų11246.9 Ų46.959%0.58625%0.249SC*.THydrogen-bonded Turntrans-87.3-1.6176.5-67177.2000113.4I161 T162 E163 I167I161-L165 HydrophobicContact CG2-CD1 3.68Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 WeakPolarHBondContact O-CB 3.23Å; I161-L165 WeakPolarHBondContact O-CG 3.08Å; I161-L165 PolarHBondContact O-N 2.95Å; T162-L165 PolarHBondContact O-N 3.27Å; E163-L165 PolarHBondContact O-N 2.89Å; L165-I167 HydrophobicContact CB-CD1 3.86Å; L165-I167 HydrophobicContact CB-CG1 3.77Å; L165-I167 HydrophobicContact CD1-CD1 4.02Å; L165-I167 PolarHBondContact O-N 2.82Å
166Q85.5Confident81.4Confident182 Ų18248.4 Ų48.485%0.8525%0.253SS*.THydrogen-bonded Turntrans51.641.8-176.5-59.6-169.8-42.400113T162 E163 K164T162-Q166 PolarHBondContact O-N 2.92Å; E163-Q166 PolarHBondContact O-N 3.45Å; K164-Q166 VanDerWaalsContact C-N 3.34Å
167I79.2Confident81.2Confident48 Ų4850.9 Ų50.925%0.24627%0.265CS..  trans-78.2134.2176.1-60.5177.2000108.2T162 L165 V171 A172 F176T162-I167 HydrophobicContact CG2-CD1 4.38Å; T162-I167 PolarHBondContact O-N 3Å; T162-I167 VanDerWaalsContact O-N 3.11Å; L165-I167 HydrophobicContact CB-CD1 3.86Å; L165-I167 HydrophobicContact CB-CG1 3.77Å; L165-I167 HydrophobicContact CD1-CD1 4.02Å; L165-I167 PolarHBondContact O-N 2.82Å; I167-V171 HydrophobicContact CG2-CB 3.9Å; I167-V171 HydrophobicContact CG2-CG1 3.83Å; I167-A172 HydrophobicContact CG2-CB 4.19Å; I167-F176 HydrophobicContact CD1-CD2 4.1Å; I167-F176 HydrophobicContact CD1-CE2 3.44Å; I167-F176 VanDerWaalsContact CD1-CE2 3.44Å; I167-F176 HydrophobicContact CD1-CZ 3.77Å
168S76.3Confident80.7Confident66 Ų6651 Ų5146%0.46227%0.266SS..  trans-63.6142.2178.250.40000111.4D170 V171 A172S168-D170 VanDerWaalsContact C-N 3.31Å; S168-D170 PolarHBondContact O-N 3.47Å; S168-V171 WeakPolarHBondContact O-CA 3.5Å; S168-V171 WeakPolarHBondContact O-CB 3.48Å; S168-V171 PolarHBondContact O-N 2.98Å; S168-V171 VanDerWaalsContact OG-CG2 3.25Å; S168-V171 WeakPolarHBondContact OG-CG2 3.39Å; S168-A172 PolarHBondContact O-N 2.88Å
169E70.9Confident80.5Confident98 Ų9851.3 Ų51.346%0.45827%0.27SS..Hα-helixtrans-56.1-41-172-66.2173.9157.600112.8V171 A172 G173E169-V171 VanDerWaalsContact C-N 3.28Å; E169-V171 PolarHBondContact O-N 3.11Å; E169-A172 PolarHBondContact O-N 3.41Å; E169-G173 PolarHBondContact O-N 3.42Å
170D67.3Low80.4Confident114 Ų11450.9 Ų50.961%0.6127%0.266SS*.Hα-helixtrans-54.7-41.6173.5-59.6-28.8000113.1S168 A174S168-D170 VanDerWaalsContact C-N 3.31Å; S168-D170 PolarHBondContact O-N 3.47Å; D170-A174 WeakPolarHBondContact O-CB 3.45Å; D170-A174 PolarHBondContact O-N 3.03Å
171V73.1Confident80.2Confident11 Ų1150.9 Ų50.97%0.06727%0.268CS..Hα-helixtrans-79.1-41.3-178.5178.50000109.7I167 S168 E169 G173 T175 M277I167-V171 HydrophobicContact CG2-CB 3.9Å; I167-V171 HydrophobicContact CG2-CG1 3.83Å; S168-V171 WeakPolarHBondContact O-CA 3.5Å; S168-V171 WeakPolarHBondContact O-CB 3.48Å; S168-V171 PolarHBondContact O-N 2.98Å; S168-V171 VanDerWaalsContact OG-CG2 3.25Å; S168-V171 WeakPolarHBondContact OG-CG2 3.39Å; E169-V171 VanDerWaalsContact C-N 3.28Å; E169-V171 PolarHBondContact O-N 3.11Å; V171-G173 PolarHBondContact O-N 3.19Å; V171-T175 HydrophobicContact CG1-CG2 4.49Å; V171-T175 WeakPolarHBondContact O-CB 3.19Å; V171-T175 PolarHBondContact O-N 3.29Å; V171-T175 VanDerWaalsContact O-N 3.09Å; V171-T175 PolarHBondContact O-OG1 3.44Å; V171-M277 HydrophobicContact CG1-CB 4.46Å; V171-M277 HydrophobicContact CG2-CB 4.28Å
172A76.2Confident80.3Confident9 Ų949.6 Ų49.67%0.07426%0.261CS..Iπ-helixtrans-59.5-45.4175.800000111.5T162 I167 S168 E169 F176 M177T162-A172 HydrophobicContact CG2-CB 3.75Å; I167-A172 HydrophobicContact CG2-CB 4.19Å; S168-A172 PolarHBondContact O-N 2.88Å; E169-A172 PolarHBondContact O-N 3.41Å; A172-F176 PolarHBondContact O-N 2.79Å; A172-M177 WeakPolarHBondContact O-CG 3.39Å; A172-M177 PolarHBondContact O-N 2.87Å
173G71.6Confident80.5Confident23 Ų2349.3 Ų49.324%0.23726%0.259CS..Iπ-helixtrans-61.1-55.4176.100000112.4E169 V171 T175 A178E169-G173 PolarHBondContact O-N 3.42Å; V171-G173 PolarHBondContact O-N 3.19Å; G173-T175 PolarHBondContact O-N 2.66Å; G173-A178 PolarHBondContact O-N 3.28Å
174A67.3Low80.8Confident8 Ų845.4 Ų45.47%0.06624%0.241CC..Iπ-helixtrans-72.5-9.6-175.200000115.2D170 M277D170-A174 WeakPolarHBondContact O-CB 3.45Å; D170-A174 PolarHBondContact O-N 3.03Å; A174-M277 HydrophobicContact CB-CE 3.47Å; A174-M277 VanDerWaalsContact CB-CE 3.47Å; A174-M277 HydrophobicContact CB-SD 4.32Å
175T80.6Confident81Confident2 Ų239.2 Ų39.21%0.01222%0.215CC..Iπ-helixtrans-127.7-66.3-176.866.40000112.8V171 G173 A179 Y273 V274V171-T175 HydrophobicContact CG1-CG2 4.49Å; V171-T175 WeakPolarHBondContact O-CB 3.19Å; V171-T175 PolarHBondContact O-N 3.29Å; V171-T175 VanDerWaalsContact O-N 3.09Å; V171-T175 PolarHBondContact O-OG1 3.44Å; G173-T175 PolarHBondContact O-N 2.66Å; T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 3.48Å; T175-Y273 HydrophobicContact CG2-CE1 4.34Å; T175-V274 HydrophobicContact CG2-CG1 4.49Å; T175-V274 HydrophobicContact CG2-CG2 3.89Å
176F83.1Confident81.4Confident60 Ų6035.2 Ų35.226%0.26319%0.194SC..Iπ-helixtrans-71.3-39.9-176-75.3-95.7000113L158 I161 T162 I167 A172 G180L158-F176 WeakPolarHBondContact CD1-O 3.25Å; L158-F176 HydrophobicContact CD2-CB 4.38Å; L158-F176 HydrophobicContact CD2-CD1 3.87Å; I161-F176 HydrophobicContact CG2-CE1 4.49Å; T162-F176 HydrophobicContact CG2-CB 3.64Å; T162-F176 HydrophobicContact CG2-CD1 4.12Å; T162-F176 HydrophobicContact CG2-CD2 3.9Å; T162-F176 HydrophobicContact CG2-CG 3.61Å; I167-F176 HydrophobicContact CD1-CD2 4.1Å; I167-F176 HydrophobicContact CD1-CE2 3.44Å; I167-F176 VanDerWaalsContact CD1-CE2 3.44Å; I167-F176 HydrophobicContact CD1-CZ 3.77Å; A172-F176 PolarHBondContact O-N 2.79Å; F176-G180 PolarHBondContact O-N 2.9Å; F176-G180 VanDerWaalsContact O-N 3.13Å
177M81.2Confident81.8Confident54 Ų5428 Ų2827%0.26616%0.159SC..Iπ-helixtrans-73.7-40.9178-56.5-63.297.400110.9V155 L158 T162 A172 G180 G181V155-M177 HydrophobicContact CG1-SD 4.01Å; L158-M177 HydrophobicContact CB-CE 3.61Å; T162-M177 HydrophobicContact CG2-CE 4.44Å; A172-M177 WeakPolarHBondContact O-CG 3.39Å; A172-M177 PolarHBondContact O-N 2.87Å; M177-G180 VanDerWaalsContact O-CA 3.27Å; M177-G180 WeakPolarHBondContact O-CA 3.25Å; M177-G180 PolarHBondContact O-N 3.4Å; M177-G181 PolarHBondContact O-N 3.38Å; M177-G181 VanDerWaalsContact O-N 3.17Å
178A80.2Confident82.4Confident2 Ų225.7 Ų25.72%0.01715%0.148CC..Hα-helixtrans-58.3-47.6172.700000112.6G173 G180 G181 S182G173-A178 PolarHBondContact O-N 3.28Å; A178-G180 PolarHBondContact O-N 3.3Å; A178-G181 PolarHBondContact O-N 3.43Å; A178-G181 VanDerWaalsContact O-N 3.16Å; A178-S182 PolarHBondContact O-N 3.31Å; A178-S182 VanDerWaalsContact O-N 3.11Å
179A84.4Confident83.2Confident17 Ų1722.5 Ų22.514%0.1413%0.126CC..Hα-helixtrans-63-18.8171.500000113.7T175 F577T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 3.48Å; A179-F577 HydrophobicContact CB-CD1 4.41Å; A179-F577 HydrophobicContact CB-CD2 3.58Å; A179-F577 HydrophobicContact CB-CE1 4.25Å; A179-F577 HydrophobicContact CB-CE2 3.37Å; A179-F577 HydrophobicContact CB-CG 4.09Å; A179-F577 HydrophobicContact CB-CZ 3.74Å
180G86Confident84.3Confident0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-71.1-44.6172.400000112.8F176 M177 A178F176-G180 PolarHBondContact O-N 2.9Å; F176-G180 VanDerWaalsContact O-N 3.13Å; M177-G180 VanDerWaalsContact O-CA 3.27Å; M177-G180 WeakPolarHBondContact O-CA 3.25Å; M177-G180 PolarHBondContact O-N 3.4Å; A178-G180 PolarHBondContact O-N 3.3Å
181G84.3Confident85.5Confident9 Ų915 Ų159%0.0939%0.088CC..Hα-helixtrans-63.8-54.2173.200000111.6M177 A178 A183 P184 D551M177-G181 PolarHBondContact O-N 3.38Å; M177-G181 VanDerWaalsContact O-N 3.17Å; A178-G181 PolarHBondContact O-N 3.43Å; A178-G181 VanDerWaalsContact O-N 3.16Å; G181-A183 PolarHBondContact O-N 3.07Å; G181-P184 WeakPolarHBondContact O-CD 3.27Å; G181-D551 WeakPolarHBondContact CA-OD1 3.4Å
182S90.6Very high86.3Confident0 Ų014.4 Ų14.40%09%0.085CC..THydrogen-bonded Turntrans-64.14.3179.6-73.70000117.3A178 E185 L186 S574 D578A178-S182 PolarHBondContact O-N 3.31Å; A178-S182 VanDerWaalsContact O-N 3.11Å; S182-E185 WeakPolarHBondContact CA-OE2 3.49Å; S182-E185 PolarHBondContact O-N 3.12Å; S182-L186 PolarHBondContact O-N 2.98Å; S182-L186 VanDerWaalsContact O-N 3.11Å; S182-S574 WeakPolarHBondContact OG-CA 3.45Å; S182-S574 VanDerWaalsContact OG-CB 3.3Å; S182-S574 WeakPolarHBondContact OG-CB 3.45Å; S182-S574 PolarHBondContact OG-O 3.23Å; S182-D578 WeakPolarHBondContact CB-OD1 3.3Å; S182-D578 PolarHBondContact OG-OD1 3.09Å
183A91.8Very high86.9Confident3 Ų314.8 Ų14.83%0.0259%0.086CC..Hα-helixtrans-65.8-43.8-176.700000113.6F154 G181 E185 L186 F187 I513F154-A183 HydrophobicContact CD1-CB 3.87Å; F154-A183 HydrophobicContact CE1-CB 3.54Å; F154-A183 HydrophobicContact CZ-CB 4.42Å; G181-A183 PolarHBondContact O-N 3.07Å; A183-E185 VanDerWaalsContact C-N 3.29Å; A183-E185 PolarHBondContact O-N 3.48Å; A183-L186 PolarHBondContact O-N 3.26Å; A183-F187 VanDerWaalsContact O-CD2 3.28Å; A183-F187 WeakPolarHBondContact O-CD2 3.34Å; A183-F187 PolarHBondContact O-N 2.95Å; A183-I513 HydrophobicContact CB-CD1 3.97Å; A183-I513 HydrophobicContact CB-CG2 4.49Å
184P92.4Very high87.8Confident5 Ų516.5 Ų16.53%0.0329%0.087CC..Hα-helixtrans-59.8-36.9174.9-23.636.8000113L146 C150 G181 F187 T188 T547L146-P184 HydrophobicContact CD1-CB 4.4Å; L146-P184 HydrophobicContact CD2-CB 4.3Å; L146-P184 HydrophobicContact CD2-CG 4.41Å; C150-P184 VanDerWaalsContact SG-CG 3.55Å; G181-P184 WeakPolarHBondContact O-CD 3.27Å; P184-F187 PolarHBondContact O-N 2.98Å; P184-T188 VanDerWaalsContact O-CB 3.27Å; P184-T188 WeakPolarHBondContact O-CB 3.46Å; P184-T188 PolarHBondContact O-N 3.01Å; P184-T188 PolarHBondContact O-OG1 3.37Å; P184-T547 HydrophobicContact CB-CG2 3.73Å
185E93.6Very high88.7Confident1 Ų118.2 Ų18.21%0.00510%0.095CC..Hα-helixtrans-63.4-50.7176.3-72.876.8-177.900110.9S182 A183 F187 T188 S189 I205 T547 S548S182-E185 WeakPolarHBondContact CA-OE2 3.49Å; S182-E185 PolarHBondContact O-N 3.12Å; A183-E185 VanDerWaalsContact C-N 3.29Å; A183-E185 PolarHBondContact O-N 3.48Å; E185-F187 VanDerWaalsContact C-N 3.34Å; E185-F187 PolarHBondContact O-N 3.03Å; E185-T188 WeakPolarHBondContact O-CB 3.48Å; E185-T188 PolarHBondContact O-N 3.4Å; E185-S189 WeakPolarHBondContact O-CB 3.49Å; E185-S189 PolarHBondContact O-N 3.01Å; E185-I205 HydrophobicContact CB-CG1 4.3Å; E185-T547 VanDerWaalsContact CD-CB 3.48Å; E185-T547 VanDerWaalsContact CD-OG1 3.22Å; E185-T547 WeakPolarHBondContact OE1-CB 3.19Å; E185-T547 PolarHBondContact OE1-OG1 2.71Å; E185-S548 PolarHBondContact OE1-N 2.93Å; E185-S548 PolarHBondContact OE1-OG 3.43Å; E185-S548 VanDerWaalsContact OE1-OG 3.05Å
186L93.9Very high88.8Confident28 Ų2818.1 Ų18.115%0.1479%0.094CC..Hα-helixtrans-56.5-45.2174.9168.964.5000111.8S182 A183 S189 L190 F577 V585 P586S182-L186 PolarHBondContact O-N 2.98Å; S182-L186 VanDerWaalsContact O-N 3.11Å; A183-L186 PolarHBondContact O-N 3.26Å; L186-S189 WeakPolarHBondContact O-CB 3.45Å; L186-S189 PolarHBondContact O-N 3.02Å; L186-L190 PolarHBondContact O-N 3.42Å; L186-F577 HydrophobicContact CB-CE1 4.46Å; L186-F577 HydrophobicContact CD2-CZ 4.25Å; L186-V585 HydrophobicContact CD1-CB 4.1Å; L186-V585 HydrophobicContact CD1-CG1 4.3Å; L186-P586 HydrophobicContact CD1-CG 4.44Å
187F94Very high88.8Confident29 Ų2919.9 Ų19.913%0.12710%0.103CC..Hα-helixtrans-71.3-34.8178.3-80.9-71.3000112.7A183 P184 E185 S189 L190 I191 I510 I513 A514 S517A183-F187 VanDerWaalsContact O-CD2 3.28Å; A183-F187 WeakPolarHBondContact O-CD2 3.34Å; A183-F187 PolarHBondContact O-N 2.95Å; P184-F187 PolarHBondContact O-N 2.98Å; E185-F187 VanDerWaalsContact C-N 3.34Å; E185-F187 PolarHBondContact O-N 3.03Å; F187-S189 VanDerWaalsContact C-N 3.31Å; F187-S189 PolarHBondContact O-N 3.19Å; F187-L190 HydrophobicContact CE1-CD1 4.46Å; F187-L190 PolarHBondContact O-N 3.5Å; F187-I191 VanDerWaalsContact O-CG1 3.26Å; F187-I191 WeakPolarHBondContact O-CG1 3.38Å; F187-I191 PolarHBondContact O-N 3.25Å; F187-I510 HydrophobicContact CE2-CG2 4.37Å; F187-I510 HydrophobicContact CZ-CG2 3.78Å; F187-I513 HydrophobicContact CB-CG2 4.16Å; F187-I513 HydrophobicContact CD2-CB 4.14Å; F187-I513 HydrophobicContact CD2-CG2 3.48Å; F187-I513 VanDerWaalsContact CD2-CG2 3.48Å; F187-I513 HydrophobicContact CE2-CG2 4.3Å; F187-I513 HydrophobicContact CG-CG2 4.05Å; F187-A514 HydrophobicContact CD1-CB 3.58Å; F187-A514 HydrophobicContact CE1-CB 3.79Å; F187-A514 HydrophobicContact CG-CB 4.26Å; F187-S517 WeakPolarHBondContact CB-OG 3.36Å
188T92.6Very high88.9Confident0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-61.7-41.3171.8-60.70000111.4P184 E185 I191 G192 T204 M520 V521 L543P184-T188 VanDerWaalsContact O-CB 3.27Å; P184-T188 WeakPolarHBondContact O-CB 3.46Å; P184-T188 PolarHBondContact O-N 3.01Å; P184-T188 PolarHBondContact O-OG1 3.37Å; E185-T188 WeakPolarHBondContact O-CB 3.48Å; E185-T188 PolarHBondContact O-N 3.4Å; T188-I191 PolarHBondContact O-N 3.08Å; T188-G192 PolarHBondContact O-N 3.12Å; T188-T204 HydrophobicContact CG2-CG2 3.87Å; T188-T204 WeakPolarHBondContact CG2-OG1 3.48Å; T188-M520 HydrophobicContact CG2-CE 4.21Å; T188-M520 WeakPolarHBondContact OG1-CE 3.29Å; T188-V521 HydrophobicContact CG2-CG2 3.79Å; T188-L543 HydrophobicContact CG2-CD2 3.81Å
189S93.1Very high89.3Confident0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-61.5-44.5173.3-171.10000112.2E185 L186 F187 G192 V193 G582E185-S189 WeakPolarHBondContact O-CB 3.49Å; E185-S189 PolarHBondContact O-N 3.01Å; L186-S189 WeakPolarHBondContact O-CB 3.45Å; L186-S189 PolarHBondContact O-N 3.02Å; F187-S189 VanDerWaalsContact C-N 3.31Å; F187-S189 PolarHBondContact O-N 3.19Å; S189-G192 PolarHBondContact O-N 3.25Å; S189-V193 PolarHBondContact O-N 3.43Å; S189-G582 VanDerWaalsContact CB-O 3.23Å; S189-G582 WeakPolarHBondContact CB-O 3.31Å; S189-G582 PolarHBondContact OG-O 2.98Å
190L93.9Very high89.5Confident42 Ų4218.5 Ų18.522%0.2210%0.096CC..Hα-helixtrans-61.9-46.7176.3-168.3152.8000112.3L186 F187 G192 V193 F194 P586 L589L186-L190 PolarHBondContact O-N 3.42Å; F187-L190 HydrophobicContact CE1-CD1 4.46Å; F187-L190 PolarHBondContact O-N 3.5Å; L190-G192 VanDerWaalsContact C-N 3.28Å; L190-G192 PolarHBondContact O-N 3.48Å; L190-V193 PolarHBondContact O-N 2.86Å; L190-F194 HydrophobicContact CD2-CD2 4.16Å; L190-F194 HydrophobicContact CG-CD2 4.06Å; L190-F194 HydrophobicContact CG-CE2 4.43Å; L190-F194 WeakPolarHBondContact O-CB 3.42Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 2.88Å; L190-P586 HydrophobicContact CB-CG 4.06Å; L190-L589 HydrophobicContact CD1-CD1 4.42Å
191I91.8Very high89.7Confident11 Ų1118.6 Ų18.66%0.05610%0.097CC..Hα-helixtrans-62.2-37.7175.7-62.7-63.4000110.9F187 T188 I195 S196 Y518 V521F187-I191 VanDerWaalsContact O-CG1 3.26Å; F187-I191 WeakPolarHBondContact O-CG1 3.38Å; F187-I191 PolarHBondContact O-N 3.25Å; T188-I191 PolarHBondContact O-N 3.08Å; I191-I195 HydrophobicContact CD1-CD1 3.65Å; I191-I195 HydrophobicContact CD1-CG1 4.49Å; I191-I195 HydrophobicContact CG2-CB 4.33Å; I191-I195 HydrophobicContact CG2-CD1 4.42Å; I191-I195 WeakPolarHBondContact O-CB 3.48Å; I191-I195 PolarHBondContact O-N 2.93Å; I191-S196 PolarHBondContact O-N 3.28Å; I191-S196 VanDerWaalsContact O-N 3.12Å; I191-Y518 HydrophobicContact CD1-CD2 4.2Å; I191-Y518 HydrophobicContact CG2-CD2 4.37Å; I191-V521 HydrophobicContact CG2-CB 4.18Å; I191-V521 HydrophobicContact CG2-CG1 4.35Å; I191-V521 HydrophobicContact CG2-CG2 4.32Å
192G89.4Confident90Very high0 Ų018.5 Ų18.50%09%0.094CC..Iπ-helixtrans-57.6-49.6174.800000113.6T188 S189 L190 S196 H197 S198T188-G192 PolarHBondContact O-N 3.12Å; S189-G192 PolarHBondContact O-N 3.25Å; L190-G192 VanDerWaalsContact C-N 3.28Å; L190-G192 PolarHBondContact O-N 3.48Å; G192-S196 VanDerWaalsContact CA-OG 3.27Å; G192-S196 WeakPolarHBondContact CA-OG 3.39Å; G192-S196 PolarHBondContact O-OG 3.05Å; G192-H197 WeakPolarHBondContact O-CA 3.42Å; G192-H197 PolarHBondContact O-N 3Å; G192-S198 PolarHBondContact O-N 3.27Å
193V90.1Very high90Very high17 Ų1718.6 Ų18.610%0.10310%0.095CC..Iπ-helixtrans-73.4-40.1-177.8174.70000112.5S189 L190 H197 P586 Y590S189-V193 PolarHBondContact O-N 3.43Å; L190-V193 PolarHBondContact O-N 2.86Å; V193-H197 PolarHBondContact O-ND1 3.5Å; V193-H197 VanDerWaalsContact O-ND1 3.07Å; V193-P586 HydrophobicContact CB-CB 4.06Å; V193-P586 HydrophobicContact CG2-CB 3.76Å; V193-Y590 HydrophobicContact CG1-CD2 3.78Å; V193-Y590 HydrophobicContact CG1-CG 3.89Å
194F89.4Confident90.1Very high59 Ų5918.4 Ų18.426%0.2599%0.093SC..Iπ-helixtrans-95.4-22.3-170.4-80.7-88.1000116.2L190 L589 Y590 F593L190-F194 HydrophobicContact CD2-CD2 4.16Å; L190-F194 HydrophobicContact CG-CD2 4.06Å; L190-F194 HydrophobicContact CG-CE2 4.43Å; L190-F194 WeakPolarHBondContact O-CB 3.42Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 2.88Å; F194-L589 HydrophobicContact CE2-CB 4.07Å; F194-L589 HydrophobicContact CZ-CB 3.87Å; F194-Y590 HydrophobicContact CE1-CD2 4.42Å; F194-F593 AromaticContact CE1-CD2 3.9Å; F194-F593 HydrophobicContact CE1-CD2 3.9Å; F194-F593 AromaticContact CZ-CD2 3.9Å; F194-F593 HydrophobicContact CZ-CD2 3.9Å; F194-F593 HydrophobicContact CZ-CE2 4.35Å
195I86.9Confident90.1Very high43 Ų4318.2 Ų18.222%0.2219%0.092CC..Iπ-helixtrans-125.6-46.2-172-54.5-174.4000112.2E116 Y117 I191 Y518E116-I195 PolarHBondContact N-O 3.1Å; Y117-I195 HydrophobicContact CE1-CG2 4.44Å; I191-I195 HydrophobicContact CD1-CD1 3.65Å; I191-I195 HydrophobicContact CD1-CG1 4.49Å; I191-I195 HydrophobicContact CG2-CB 4.33Å; I191-I195 HydrophobicContact CG2-CD1 4.42Å; I191-I195 WeakPolarHBondContact O-CB 3.48Å; I191-I195 PolarHBondContact O-N 2.93Å; I195-Y518 HydrophobicContact CD1-CD2 3.82Å; I195-Y518 HydrophobicContact CD1-CE2 3.97Å; I195-Y518 HydrophobicContact CG2-CE2 4.2Å
196S81.4Confident90Very high0 Ų018.4 Ų18.40%09%0.093CC..Iπ-helixtrans-80.7-22.3178.977.80000112.8K114 Y117 I191 G192 S198 V200K114-S196 CarbonylContact C-O 3.53Å; Y117-S196 VanDerWaalsContact OH-CB 3.28Å; Y117-S196 WeakPolarHBondContact OH-CB 3.38Å; I191-S196 PolarHBondContact O-N 3.28Å; I191-S196 VanDerWaalsContact O-N 3.12Å; G192-S196 VanDerWaalsContact CA-OG 3.27Å; G192-S196 WeakPolarHBondContact CA-OG 3.39Å; G192-S196 PolarHBondContact O-OG 3.05Å; S196-S198 WeakPolarHBondContact CB-OG 3.47Å; S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 VanDerWaalsContact O-N 3.15Å; S196-S198 WeakPolarHBondContact OG-CB 3.29Å; S196-S198 PolarHBondContact OG-N 3.13Å; S196-S198 PolarHBondContact OG-OG 2.84Å; S196-V200 WeakPolarHBondContact OG-CG1 3.16Å
197H84.1Confident90Very high97 Ų9717.2 Ų17.245%0.4499%0.088SC..  trans46.338.1-168.8-63.6-53000112.1G192 V193G192-H197 WeakPolarHBondContact O-CA 3.42Å; G192-H197 PolarHBondContact O-N 3Å; V193-H197 PolarHBondContact O-ND1 3.5Å; V193-H197 VanDerWaalsContact O-ND1 3.07Å
198S83.6Confident89.9Confident20 Ų2015.8 Ų15.814%0.148%0.081CC..SBendtrans-131.4162.9-173.978.70000111.4G192 S196 V200 E535G192-S198 PolarHBondContact O-N 3.27Å; S196-S198 WeakPolarHBondContact CB-OG 3.47Å; S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 VanDerWaalsContact O-N 3.15Å; S196-S198 WeakPolarHBondContact OG-CB 3.29Å; S196-S198 PolarHBondContact OG-N 3.13Å; S196-S198 PolarHBondContact OG-OG 2.84Å; S198-V200 PolarHBondContact O-N 3.11Å; S198-V200 VanDerWaalsContact O-N 3.17Å; S198-V200 WeakPolarHBondContact OG-CG1 3.33Å; S198-E535 VanDerWaalsContact CB-OE2 3.27Å; S198-E535 WeakPolarHBondContact CB-OE2 3.3Å; S198-E535 PolarHBondContact OG-OE2 3.47Å
199N87.6Confident89.9Confident21 Ų2115.8 Ų15.811%0.1128%0.081CC..THydrogen-bonded Turntrans-82.411.8-175.7-45.3-86.9000112.6G201 I202 G203 E536 S602 L606N199-G201 PolarHBondContact O-N 3.17Å; N199-G201 VanDerWaalsContact O-N 3.16Å; N199-I202 HydrophobicContact CB-CD1 4.39Å; N199-I202 PolarHBondContact O-N 3.49Å; N199-G203 PolarHBondContact O-N 3.44Å; N199-E536 HydrophobicContact CB-CG 4.01Å; N199-E536 PolarHBondContact ND2-OE1 2.97Å; N199-E536 VanDerWaalsContact ND2-OE1 3.16Å; N199-S602 WeakPolarHBondContact ND2-CB 3.31Å; N199-S602 PolarHBondContact OD1-N 2.89Å; N199-L606 HydrophobicContact CB-CD2 3.94Å
200V88.8Confident89.9Confident4 Ų416 Ų162%0.0248%0.082CC..Hα-helixtrans-51.6-37.5176.867.20000112.4S196 S198 T204 V521 E535 L543S196-V200 WeakPolarHBondContact OG-CG1 3.16Å; S198-V200 PolarHBondContact O-N 3.11Å; S198-V200 VanDerWaalsContact O-N 3.17Å; S198-V200 WeakPolarHBondContact OG-CG1 3.33Å; V200-T204 WeakPolarHBondContact O-CB 3.25Å; V200-T204 PolarHBondContact O-N 2.96Å; V200-T204 PolarHBondContact O-OG1 3.03Å; V200-V521 HydrophobicContact CG1-CG1 4.15Å; V200-V521 HydrophobicContact CG2-CG1 4.26Å; V200-E535 HydrophobicContact CB-CB 4.25Å; V200-L543 HydrophobicContact CG2-CD2 3.92Å
201G90.1Very high89.9Confident2 Ų214.3 Ų14.32%0.0217%0.073CC..Hα-helixtrans-62.8-48.7176.100000113.2N199 T204 I205N199-G201 PolarHBondContact O-N 3.17Å; N199-G201 VanDerWaalsContact O-N 3.16Å; G201-T204 PolarHBondContact O-N 2.88Å; G201-I205 PolarHBondContact O-N 3.47Å; G201-I205 VanDerWaalsContact O-N 3.08Å
202I90.4Very high90Very high7 Ų713.8 Ų13.84%0.0367%0.071CC..Hα-helixtrans-70.1-41.7-179.4-43.6172.1000110.1N199 T204 I205 V206 F253 L583 W587 V601 L606N199-I202 HydrophobicContact CB-CD1 4.39Å; N199-I202 PolarHBondContact O-N 3.49Å; I202-T204 VanDerWaalsContact C-N 3.33Å; I202-T204 PolarHBondContact O-N 2.82Å; I202-I205 PolarHBondContact O-N 2.87Å; I202-V206 HydrophobicContact CG2-CG2 4.36Å; I202-V206 WeakPolarHBondContact O-CB 3.4Å; I202-V206 WeakPolarHBondContact O-CG2 3.4Å; I202-V206 PolarHBondContact O-N 2.93Å; I202-F253 HydrophobicContact CD1-CZ 4.35Å; I202-F253 HydrophobicContact CG2-CE1 4.31Å; I202-F253 HydrophobicContact CG2-CZ 4.12Å; I202-L583 HydrophobicContact CB-CD2 4.05Å; I202-L583 HydrophobicContact CG1-CD2 3.99Å; I202-L583 HydrophobicContact CG2-CD2 3.76Å; I202-W587 HydrophobicContact CD1-CZ2 3.81Å; I202-W587 HydrophobicContact CG1-CZ2 4.03Å; I202-V601 HydrophobicContact CD1-CG1 3.63Å; I202-V601 HydrophobicContact CD1-CG2 4.14Å; I202-L606 HydrophobicContact CB-CD1 4.22Å; I202-L606 HydrophobicContact CB-CD2 3.92Å; I202-L606 HydrophobicContact CD1-CD2 3.79Å; I202-L606 HydrophobicContact CG1-CD2 4.45Å; I202-L606 HydrophobicContact CG2-CD1 3.9Å; I202-L606 HydrophobicContact CG2-CD2 3.83Å; I202-L606 HydrophobicContact CG2-CG 4.16Å
203G90.6Very high90Very high1 Ų114.2 Ų14.21%0.017%0.073CC..Hα-helixtrans-56.2-46.2172.300000111.8N199 I205 V206 G207 L540N199-G203 PolarHBondContact O-N 3.44Å; G203-I205 PolarHBondContact O-N 2.7Å; G203-V206 PolarHBondContact O-N 3.33Å; G203-G207 PolarHBondContact O-N 3.41Å; G203-L540 VanDerWaalsContact O-CA 3.25Å; G203-L540 WeakPolarHBondContact O-CA 3.23Å
204T93.4Very high90.2Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-59.7-47.2176.6-55.70000111.6T188 V200 G201 I202 G207 S208 G539 L543T188-T204 HydrophobicContact CG2-CG2 3.87Å; T188-T204 WeakPolarHBondContact CG2-OG1 3.48Å; V200-T204 WeakPolarHBondContact O-CB 3.25Å; V200-T204 PolarHBondContact O-N 2.96Å; V200-T204 PolarHBondContact O-OG1 3.03Å; G201-T204 PolarHBondContact O-N 2.88Å; I202-T204 VanDerWaalsContact C-N 3.33Å; I202-T204 PolarHBondContact O-N 2.82Å; T204-G207 PolarHBondContact O-N 3.37Å; T204-S208 VanDerWaalsContact O-CB 3.29Å; T204-S208 WeakPolarHBondContact O-CB 3.44Å; T204-S208 PolarHBondContact O-N 3.06Å; T204-S208 PolarHBondContact O-OG 3.33Å; T204-G539 WeakPolarHBondContact CA-O 3.39Å; T204-G539 WeakPolarHBondContact OG1-CA 3.34Å; T204-L543 HydrophobicContact CG2-CB 3.97Å
205I93.3Very high90.4Very high1 Ų112.7 Ų12.71%0.0057%0.065CC..Hα-helixtrans-65.4-45.6179.4-78167.7000112E185 G201 I202 G203 G207 S208 A209 D578 G582 L583E185-I205 HydrophobicContact CB-CG1 4.3Å; G201-I205 PolarHBondContact O-N 3.47Å; G201-I205 VanDerWaalsContact O-N 3.08Å; I202-I205 PolarHBondContact O-N 2.87Å; G203-I205 PolarHBondContact O-N 2.7Å; I205-G207 VanDerWaalsContact C-N 3.35Å; I205-G207 PolarHBondContact O-N 2.85Å; I205-S208 PolarHBondContact O-N 3.23Å; I205-A209 VanDerWaalsContact O-CB 3.32Å; I205-A209 WeakPolarHBondContact O-CB 3.47Å; I205-A209 PolarHBondContact O-N 2.84Å; I205-D578 HydrophobicContact CG1-CB 4.24Å; I205-D578 HydrophobicContact CG2-CB 3.76Å; I205-G582 VanDerWaalsContact CD1-C 3.42Å; I205-L583 HydrophobicContact CB-CD2 4.13Å; I205-L583 HydrophobicContact CB-CG 4.39Å; I205-L583 HydrophobicContact CD1-CD2 3.65Å; I205-L583 HydrophobicContact CD1-CG 3.82Å; I205-L583 HydrophobicContact CG1-CD2 4.46Å; I205-L583 HydrophobicContact CG2-CD1 4.06Å; I205-L583 HydrophobicContact CG2-CD2 4.15Å; I205-L583 HydrophobicContact CG2-CG 3.91Å
206V92Very high90.6Very high4 Ų410.7 Ų10.72%0.0246%0.055CC..Hα-helixtrans-63.1-42.1177.2172.80000111.1I202 G203 V210 L540 A609 I610 L613I202-V206 HydrophobicContact CG2-CG2 4.36Å; I202-V206 WeakPolarHBondContact O-CB 3.4Å; I202-V206 WeakPolarHBondContact O-CG2 3.4Å; I202-V206 PolarHBondContact O-N 2.93Å; G203-V206 PolarHBondContact O-N 3.33Å; V206-V210 WeakPolarHBondContact O-CG2 3.26Å; V206-V210 PolarHBondContact O-N 3.25Å; V206-L540 HydrophobicContact CG1-CD1 4.28Å; V206-A609 HydrophobicContact CG1-CB 4.09Å; V206-I610 HydrophobicContact CG2-CG1 3.8Å; V206-L613 HydrophobicContact CG1-CD1 4.01Å
207G92.6Very high91Very high3 Ų311 Ų113%0.0316%0.057CC..Hα-helixtrans-63.4-4617600000112.7G203 T204 I205 A209 V210 F211 L540 A544G203-G207 PolarHBondContact O-N 3.41Å; T204-G207 PolarHBondContact O-N 3.37Å; I205-G207 VanDerWaalsContact C-N 3.35Å; I205-G207 PolarHBondContact O-N 2.85Å; G207-A209 VanDerWaalsContact C-N 3.32Å; G207-A209 PolarHBondContact O-N 2.92Å; G207-V210 PolarHBondContact O-N 3.12Å; G207-F211 WeakPolarHBondContact O-CB 3.4Å; G207-F211 PolarHBondContact O-N 3.02Å; G207-L540 WeakPolarHBondContact CA-O 3.44Å; G207-A544 VanDerWaalsContact C-CB 3.46Å
208S93Very high91.4Very high0 Ų06.4 Ų6.40%04%0.035CC..Hα-helixtrans-62.9-42.7-179.8-55.20000110.2T204 I205 V210 F211 N212 A544 S548T204-S208 VanDerWaalsContact O-CB 3.29Å; T204-S208 WeakPolarHBondContact O-CB 3.44Å; T204-S208 PolarHBondContact O-N 3.06Å; T204-S208 PolarHBondContact O-OG 3.33Å; I205-S208 PolarHBondContact O-N 3.23Å; S208-V210 PolarHBondContact O-N 3.01Å; S208-F211 CarbonylContact O-C 3.57Å; S208-F211 WeakPolarHBondContact O-CB 3.39Å; S208-F211 PolarHBondContact O-N 2.8Å; S208-F211 VanDerWaalsContact O-N 3.14Å; S208-N212 WeakPolarHBondContact O-CB 3.5Å; S208-N212 PolarHBondContact O-N 3.03Å; S208-A544 VanDerWaalsContact N-CB 3.33Å; S208-A544 WeakPolarHBondContact OG-CA 3.49Å; S208-S548 WeakPolarHBondContact CB-OG 3.49Å
209A93.3Very high91.8Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-61.9-40.1177.600000113.2I205 G207 I213 N575 L613I205-A209 VanDerWaalsContact O-CB 3.32Å; I205-A209 WeakPolarHBondContact O-CB 3.47Å; I205-A209 PolarHBondContact O-N 2.84Å; G207-A209 VanDerWaalsContact C-N 3.32Å; G207-A209 PolarHBondContact O-N 2.92Å; A209-I213 WeakPolarHBondContact O-CB 3.49Å; A209-I213 PolarHBondContact O-N 3.24Å; A209-I213 VanDerWaalsContact O-N 3.11Å; A209-N575 VanDerWaalsContact CA-ND2 3.31Å; A209-N575 WeakPolarHBondContact CA-ND2 3.27Å; A209-N575 HydrophobicContact CB-CB 4.34Å; A209-N575 PolarHBondContact O-ND2 3.14Å; A209-L613 HydrophobicContact CB-CD1 3.69Å
210V93Very high91.9Very high3 Ų35.1 Ų5.12%0.0183%0.027CC..Hα-helixtrans-72.1-36.3173.4-177.50000112.1V206 G207 S208 L214 L613 Y643 F646V206-V210 WeakPolarHBondContact O-CG2 3.26Å; V206-V210 PolarHBondContact O-N 3.25Å; G207-V210 PolarHBondContact O-N 3.12Å; S208-V210 PolarHBondContact O-N 3.01Å; V210-L214 HydrophobicContact CG1-CD1 3.45Å; V210-L214 VanDerWaalsContact CG1-CD1 3.45Å; V210-L214 HydrophobicContact CG1-CG 4.09Å; V210-L214 WeakPolarHBondContact O-CB 3.46Å; V210-L214 PolarHBondContact O-N 2.96Å; V210-L613 HydrophobicContact CG2-CB 3.9Å; V210-L613 HydrophobicContact CG2-CD1 3.8Å; V210-L613 HydrophobicContact CG2-CG 3.84Å; V210-Y643 HydrophobicContact CG1-CD2 4.25Å; V210-F646 HydrophobicContact CB-CD1 4.15Å; V210-F646 HydrophobicContact CB-CE1 3.89Å; V210-F646 HydrophobicContact CB-CZ 4.2Å; V210-F646 HydrophobicContact CG1-CB 4.39Å; V210-F646 HydrophobicContact CG1-CD1 3.58Å; V210-F646 HydrophobicContact CG1-CD2 4.34Å; V210-F646 HydrophobicContact CG1-CE1 3.87Å; V210-F646 HydrophobicContact CG1-CG 3.84Å; V210-F646 HydrophobicContact CG1-CZ 4.36Å; V210-F646 HydrophobicContact CG2-CD1 4.32Å; V210-F646 HydrophobicContact CG2-CD2 4.38Å; V210-F646 HydrophobicContact CG2-CE1 3.83Å; V210-F646 HydrophobicContact CG2-CE2 3.89Å; V210-F646 HydrophobicContact CG2-CZ 3.59Å
211F93.8Very high91.9Very high7 Ų75 Ų53%0.0313%0.026CC..Iπ-helixtrans-60.4-46.9173.8-174.1-93000111.3G207 S208 F215 V216 A545 L552 Y643G207-F211 WeakPolarHBondContact O-CB 3.4Å; G207-F211 PolarHBondContact O-N 3.02Å; S208-F211 CarbonylContact O-C 3.57Å; S208-F211 WeakPolarHBondContact O-CB 3.39Å; S208-F211 PolarHBondContact O-N 2.8Å; S208-F211 VanDerWaalsContact O-N 3.14Å; F211-F215 HydrophobicContact CD1-CB 4.48Å; F211-F215 HydrophobicContact CD2-CB 3.71Å; F211-F215 HydrophobicContact CD2-CD1 4.22Å; F211-F215 HydrophobicContact CD2-CD2 4.39Å; F211-F215 AromaticContact CD2-CG 3.88Å; F211-F215 HydrophobicContact CD2-CG 3.88Å; F211-F215 HydrophobicContact CE1-CD1 4.18Å; F211-F215 HydrophobicContact CE2-CB 3.89Å; F211-F215 AromaticContact CE2-CD1 3.49Å; F211-F215 HydrophobicContact CE2-CD1 3.49Å; F211-F215 VanDerWaalsContact CE2-CD1 3.49Å; F211-F215 HydrophobicContact CE2-CD2 4.04Å; F211-F215 AromaticContact CE2-CE1 3.96Å; F211-F215 HydrophobicContact CE2-CE1 3.96Å; F211-F215 HydrophobicContact CE2-CE2 4.42Å; F211-F215 AromaticContact CE2-CG 3.54Å; F211-F215 HydrophobicContact CE2-CG 3.54Å; F211-F215 HydrophobicContact CE2-CZ 4.39Å; F211-F215 HydrophobicContact CG-CB 4.05Å; F211-F215 HydrophobicContact CZ-CB 4.37Å; F211-F215 AromaticContact CZ-CD1 3.48Å; F211-F215 HydrophobicContact CZ-CD1 3.48Å; F211-F215 VanDerWaalsContact CZ-CD1 3.48Å; F211-F215 AromaticContact CZ-CE1 3.89Å; F211-F215 HydrophobicContact CZ-CE1 3.89Å; F211-F215 HydrophobicContact CZ-CG 4.01Å; F211-F215 CarbonylContact O-C 3.52Å; F211-F215 VanDerWaalsContact O-CA 3.27Å; F211-F215 WeakPolarHBondContact O-CA 3.49Å; F211-F215 WeakPolarHBondContact O-CB 3.48Å; F211-F215 PolarHBondContact O-N 3.13Å; F211-V216 HydrophobicContact CD1-CG2 3.87Å; F211-V216 HydrophobicContact CE1-CG2 3.86Å; F211-V216 PolarHBondContact O-N 3.45Å; F211-A545 HydrophobicContact CD2-CB 4.07Å; F211-A545 HydrophobicContact CE2-CB 3.86Å; F211-A545 HydrophobicContact CZ-CB 4.46Å; F211-L552 HydrophobicContact CE1-CB 4.25Å; F211-L552 HydrophobicContact CE1-CD2 4.49Å; F211-L552 HydrophobicContact CZ-CD2 4.15Å; F211-Y643 HydrophobicContact CB-CE2 4.19Å; F211-Y643 AromaticContact CD2-CE2 3.96Å; F211-Y643 HydrophobicContact CD2-CE2 3.96Å; F211-Y643 AromaticContact CD2-CZ 3.82Å
212N92.4Very high92Very high1 Ų17.3 Ų7.31%0.0054%0.038CC..Iπ-helixtrans-63.4-47.2177.8-71.4-14.8000112.2S208 L214 V216 I217 S574 N575S208-N212 WeakPolarHBondContact O-CB 3.5Å; S208-N212 PolarHBondContact O-N 3.03Å; N212-L214 PolarHBondContact O-N 3.06Å; N212-V216 WeakPolarHBondContact O-CB 3.37Å; N212-I217 PolarHBondContact O-N 3.38Å; N212-S574 PolarHBondContact ND2-OG 3.19Å; N212-N575 VanDerWaalsContact CB-OD1 3.24Å; N212-N575 WeakPolarHBondContact CB-OD1 3.44Å; N212-N575 PolarHBondContact ND2-OD1 3.31Å
213I91.1Very high91.9Very high9 Ų912.9 Ų12.95%0.0466%0.062CC..Iπ-helixtrans-71-33.4-177.7-78.1163.1000113.3A209 Y242 N575 L617 V620A209-I213 WeakPolarHBondContact O-CB 3.49Å; A209-I213 PolarHBondContact O-N 3.24Å; A209-I213 VanDerWaalsContact O-N 3.11Å; I213-Y242 HydrophobicContact CD1-CD1 4.34Å; I213-Y242 HydrophobicContact CD1-CE1 3.41Å; I213-Y242 VanDerWaalsContact CD1-CE1 3.41Å; I213-N575 WeakPolarHBondContact CD1-ND2 3.36Å; I213-N575 WeakPolarHBondContact CG1-ND2 3.3Å; I213-L617 HydrophobicContact CD1-CD1 4.2Å; I213-V620 HydrophobicContact CG2-CB 4.23Å; I213-V620 HydrophobicContact CG2-CG1 4.22Å; I213-V620 HydrophobicContact CG2-CG2 3.59Å
214L93.2Very high91.6Very high0 Ų013 Ų130%06%0.063CC..Iπ-helixtrans-106.4-53.4-175.4-59.6179000113.1V210 N212 G218 M616 V620 M639 L642 Y643V210-L214 HydrophobicContact CG1-CD1 3.45Å; V210-L214 VanDerWaalsContact CG1-CD1 3.45Å; V210-L214 HydrophobicContact CG1-CG 4.09Å; V210-L214 WeakPolarHBondContact O-CB 3.46Å; V210-L214 PolarHBondContact O-N 2.96Å; N212-L214 PolarHBondContact O-N 3.06Å; L214-G218 VanDerWaalsContact O-CA 3.31Å; L214-G218 WeakPolarHBondContact O-CA 3.47Å; L214-G218 PolarHBondContact O-N 3.11Å; L214-M616 HydrophobicContact CD1-CE 3.47Å; L214-M616 VanDerWaalsContact CD1-CE 3.47Å; L214-V620 HydrophobicContact CD2-CG2 3.39Å; L214-M639 HydrophobicContact CD2-SD 3.71Å; L214-M639 WeakPolarHBondContact O-CB 3.25Å; L214-L642 HydrophobicContact CD1-CB 4.12Å; L214-L642 HydrophobicContact CD2-CB 4.16Å; L214-L642 HydrophobicContact CD2-CD1 4.24Å; L214-Y643 HydrophobicContact CB-CD2 4.35Å
215F93.8Very high91Very high44 Ų4422.1 Ų22.119%0.19310%0.097CC..Iπ-helixtrans-76.6-46.7-174-163.1-80000111.6F211 G218 T219 L552 F640 Y643F211-F215 HydrophobicContact CD1-CB 4.48Å; F211-F215 HydrophobicContact CD2-CB 3.71Å; F211-F215 HydrophobicContact CD2-CD1 4.22Å; F211-F215 HydrophobicContact CD2-CD2 4.39Å; F211-F215 AromaticContact CD2-CG 3.88Å; F211-F215 HydrophobicContact CD2-CG 3.88Å; F211-F215 HydrophobicContact CE1-CD1 4.18Å; F211-F215 HydrophobicContact CE2-CB 3.89Å; F211-F215 AromaticContact CE2-CD1 3.49Å; F211-F215 HydrophobicContact CE2-CD1 3.49Å; F211-F215 VanDerWaalsContact CE2-CD1 3.49Å; F211-F215 HydrophobicContact CE2-CD2 4.04Å; F211-F215 AromaticContact CE2-CE1 3.96Å; F211-F215 HydrophobicContact CE2-CE1 3.96Å; F211-F215 HydrophobicContact CE2-CE2 4.42Å; F211-F215 AromaticContact CE2-CG 3.54Å; F211-F215 HydrophobicContact CE2-CG 3.54Å; F211-F215 HydrophobicContact CE2-CZ 4.39Å; F211-F215 HydrophobicContact CG-CB 4.05Å; F211-F215 HydrophobicContact CZ-CB 4.37Å; F211-F215 AromaticContact CZ-CD1 3.48Å; F211-F215 HydrophobicContact CZ-CD1 3.48Å; F211-F215 VanDerWaalsContact CZ-CD1 3.48Å; F211-F215 AromaticContact CZ-CE1 3.89Å; F211-F215 HydrophobicContact CZ-CE1 3.89Å; F211-F215 HydrophobicContact CZ-CG 4.01Å; F211-F215 CarbonylContact O-C 3.52Å; F211-F215 VanDerWaalsContact O-CA 3.27Å; F211-F215 WeakPolarHBondContact O-CA 3.49Å; F211-F215 WeakPolarHBondContact O-CB 3.48Å; F211-F215 PolarHBondContact O-N 3.13Å; F215-G218 PolarHBondContact O-N 2.89Å; F215-T219 VanDerWaalsContact O-CB 3.3Å; F215-T219 WeakPolarHBondContact O-CB 3.39Å; F215-T219 PolarHBondContact O-N 3.31Å; F215-T219 PolarHBondContact O-OG1 3.11Å; F215-L552 HydrophobicContact CD1-CD1 4.07Å; F215-L552 HydrophobicContact CD1-CD2 4.19Å; F215-L552 HydrophobicContact CE1-CD1 4.3Å; F215-L552 HydrophobicContact CE1-CD2 3.81Å; F215-F640 HydrophobicContact CD1-CE1 4.39Å; F215-F640 HydrophobicContact CD2-CD1 4.01Å; F215-F640 AromaticContact CD2-CE1 3.68Å; F215-F640 HydrophobicContact CD2-CE1 3.68Å; F215-F640 HydrophobicContact CE1-CE1 4.18Å; F215-F640 HydrophobicContact CE1-CZ 4.5Å; F215-F640 HydrophobicContact CE2-CD1 4.02Å; F215-F640 AromaticContact CE2-CE1 3.45Å; F215-F640 HydrophobicContact CE2-CE1 3.45Å; F215-F640 VanDerWaalsContact CE2-CE1 3.45Å; F215-F640 HydrophobicContact CE2-CZ 4.48Å; F215-F640 HydrophobicContact CG-CE1 4.16Å; F215-F640 AromaticContact CZ-CE1 3.72Å; F215-F640 HydrophobicContact CZ-CE1 3.72Å; F215-F640 HydrophobicContact CZ-CZ 4.41Å; F215-Y643 HydrophobicContact CB-CD2 4.27Å; F215-Y643 HydrophobicContact CB-CE2 4.48Å; F215-Y643 HydrophobicContact CB-CG 4.35Å; F215-Y643 AromaticContact CD2-CD1 3.69Å; F215-Y643 HydrophobicContact CD2-CD1 3.69Å; F215-Y643 AromaticContact CD2-CE1 3.73Å; F215-Y643 HydrophobicContact CD2-CE1 3.73Å; F215-Y643 HydrophobicContact CD2-CG 4.24Å; F215-Y643 HydrophobicContact CE2-CD1 4.45Å; F215-Y643 HydrophobicContact CE2-CE1 4.31Å
216V91.2Very high90.5Very high0 Ų029.5 Ų29.50%013%0.132CC..Iπ-helixtrans-66.9-54.4179.5179.80000111F211 N212 G218 T219 C220 L552 S555 S571F211-V216 HydrophobicContact CD1-CG2 3.87Å; F211-V216 HydrophobicContact CE1-CG2 3.86Å; F211-V216 PolarHBondContact O-N 3.45Å; N212-V216 WeakPolarHBondContact O-CB 3.37Å; V216-G218 VanDerWaalsContact C-N 3.27Å; V216-G218 PolarHBondContact O-N 3.44Å; V216-T219 PolarHBondContact O-N 3.35Å; V216-T219 VanDerWaalsContact O-N 3.12Å; V216-C220 PolarHBondContact O-N 3.33Å; V216-C220 PolarHBondContact O-SG 2.92Å; V216-L552 HydrophobicContact CB-CD1 4.19Å; V216-L552 HydrophobicContact CG1-CD1 4.28Å; V216-L552 HydrophobicContact CG2-CB 3.98Å; V216-L552 HydrophobicContact CG2-CD1 3.91Å; V216-S555 VanDerWaalsContact CG1-CB 3.49Å; V216-S571 WeakPolarHBondContact CG1-OG 3.35Å
217I89.7Confident90.1Very high8 Ų833.5 Ų33.54%0.04115%0.152CC..Hα-helixtrans-58.8-40.4176-61.9-179.4000111.2N212 C220 A221 V568 M631N212-I217 PolarHBondContact O-N 3.38Å; I217-C220 PolarHBondContact O-N 3Å; I217-A221 WeakPolarHBondContact O-CB 3.4Å; I217-A221 PolarHBondContact O-N 3.49Å; I217-V568 HydrophobicContact CD1-CG1 3.99Å; I217-V568 HydrophobicContact CD1-CG2 4.31Å; I217-V568 HydrophobicContact CG1-CG2 4.25Å; I217-V568 HydrophobicContact CG2-CG2 4.36Å; I217-M631 HydrophobicContact CG2-SD 4.09Å
218G92.3Very high89.6Confident0 Ų033.6 Ų33.60%015%0.152CC..Hα-helixtrans-59.8-45.4174.800000112.9L214 F215 V216 A221 L222 F640L214-G218 VanDerWaalsContact O-CA 3.31Å; L214-G218 WeakPolarHBondContact O-CA 3.47Å; L214-G218 PolarHBondContact O-N 3.11Å; F215-G218 PolarHBondContact O-N 2.89Å; V216-G218 VanDerWaalsContact C-N 3.27Å; V216-G218 PolarHBondContact O-N 3.44Å; G218-A221 PolarHBondContact O-N 3.05Å; G218-L222 WeakPolarHBondContact O-CG 3.34Å; G218-L222 PolarHBondContact O-N 3.32Å; G218-F640 VanDerWaalsContact C-CE2 3.42Å
219T91.7Very high89Confident11 Ų1139.5 Ų39.57%0.06718%0.179CC..Hα-helixtrans-65-46.7177.7-54.50000110.8F215 V216 A221 L222 F223 L552 V556 F640F215-T219 VanDerWaalsContact O-CB 3.3Å; F215-T219 WeakPolarHBondContact O-CB 3.39Å; F215-T219 PolarHBondContact O-N 3.31Å; F215-T219 PolarHBondContact O-OG1 3.11Å; V216-T219 PolarHBondContact O-N 3.35Å; V216-T219 VanDerWaalsContact O-N 3.12Å; T219-A221 PolarHBondContact O-N 3.34Å; T219-L222 PolarHBondContact O-N 2.91Å; T219-L222 VanDerWaalsContact O-N 3.1Å; T219-F223 HydrophobicContact CG2-CD2 3.44Å; T219-F223 VanDerWaalsContact CG2-CD2 3.44Å; T219-F223 HydrophobicContact CG2-CE2 3.75Å; T219-F223 WeakPolarHBondContact O-CD2 3.49Å; T219-F223 PolarHBondContact O-N 2.91Å; T219-L552 HydrophobicContact CG2-CD1 3.89Å; T219-V556 HydrophobicContact CG2-CG2 3.48Å; T219-V556 VanDerWaalsContact CG2-CG2 3.48Å; T219-F640 WeakPolarHBondContact OG1-CZ 3.3Å
220C89.9Confident88.4Confident2 Ų240.1 Ų40.11%0.01418%0.182CC..Hα-helixtrans-53.8-40.8173.6-69.40000112V216 I217 S224 S555 A559 M631V216-C220 PolarHBondContact O-N 3.33Å; V216-C220 PolarHBondContact O-SG 2.92Å; I217-C220 PolarHBondContact O-N 3Å; C220-S224 VanDerWaalsContact O-CB 3.31Å; C220-S224 WeakPolarHBondContact O-CB 3.42Å; C220-S224 PolarHBondContact O-N 2.83Å; C220-S555 VanDerWaalsContact SG-C 3.52Å; C220-S555 PolarHBondContact SG-O 3.19Å; C220-A559 HydrophobicContact CB-CB 3.68Å; C220-M631 HydrophobicContact CB-CE 3.72Å
221A90Very high87.9Confident1 Ų143.2 Ų43.21%0.00820%0.201CC..Hα-helixtrans-74.1-26.9178.600000114.5I217 G218 T219 M631I217-A221 WeakPolarHBondContact O-CB 3.4Å; I217-A221 PolarHBondContact O-N 3.49Å; G218-A221 PolarHBondContact O-N 3.05Å; T219-A221 PolarHBondContact O-N 3.34Å; A221-M631 HydrophobicContact CB-CB 4.5Å; A221-M631 HydrophobicContact CB-CE 3.68Å; A221-M631 HydrophobicContact CB-CG 3.99Å
222L90.6Very high87.3Confident51 Ų5147.7 Ų47.727%0.26722%0.218SC..Hα-helixtrans-81.6-42.6175.9-70.8-171.5000112.4G218 T219 K633 F640G218-L222 WeakPolarHBondContact O-CG 3.34Å; G218-L222 PolarHBondContact O-N 3.32Å; T219-L222 PolarHBondContact O-N 2.91Å; T219-L222 VanDerWaalsContact O-N 3.1Å; L222-K633 HydrophobicContact CD2-CB 4.13Å; L222-K633 VanDerWaalsContact CD2-O 3.27Å; L222-K633 WeakPolarHBondContact CD2-O 3.26Å; L222-K633 PolarHBondContact O-NZ 3.02Å; L222-F640 HydrophobicContact CD1-CD2 3.67Å; L222-F640 HydrophobicContact CD1-CE2 3.38Å; L222-F640 HydrophobicContact CD1-CZ 4.27Å; L222-F640 HydrophobicContact CG-CD2 4.32Å; L222-F640 HydrophobicContact CG-CE2 4.02Å
223F88.9Confident86.9Confident124 Ų12448.9 Ų48.954%0.54422%0.223SC..Hα-helixtrans-92-5.3-173.9-71.5-82.5000114.4T219 V556 R560T219-F223 HydrophobicContact CG2-CD2 3.44Å; T219-F223 VanDerWaalsContact CG2-CD2 3.44Å; T219-F223 HydrophobicContact CG2-CE2 3.75Å; T219-F223 WeakPolarHBondContact O-CD2 3.49Å; T219-F223 PolarHBondContact O-N 2.91Å; F223-V556 HydrophobicContact CB-CG1 4.12Å; F223-R560 WeakPolarHBondContact O-CG 3.32Å
224S85.7Confident86.4Confident3 Ų350 Ų502%0.02123%0.23CC..  trans-59.8142.5168.171.90000111.3C220 E226 K633C220-S224 VanDerWaalsContact O-CB 3.31Å; C220-S224 WeakPolarHBondContact O-CB 3.42Å; C220-S224 PolarHBondContact O-N 2.83Å; S224-E226 WeakPolarHBondContact CB-O 3.3Å; S224-E226 PolarHBondContact OG-O 3.04Å; S224-K633 PolarHBondContact O-NZ 2.88Å
225R80.3Confident85.9Confident192 Ų19250.8 Ų50.873%0.72524%0.235SC*.SBendtrans-73.9-32.1173.5-72.6178.2169.5163.9-4.7111.6
226E82.9Confident85.6Confident156 Ų15653 Ų5373%0.72924%0.244SC*.SBendtrans-126.7170.8-175.2-59.6-170.5176.400111.8S224 L228S224-E226 WeakPolarHBondContact CB-O 3.3Å; S224-E226 PolarHBondContact OG-O 3.04Å; E226-L228 PolarHBondContact O-N 2.89Å
227I83.1Confident85.3Confident88 Ų8854.1 Ų54.145%0.45125%0.248SC..  trans-74.2111.5173.2-61.4172.6000107.9H229 K630 N632I227-H229 PolarHBondContact O-CD2 3.01Å; I227-H229 PolarHBondContact O-N 2.89Å; I227-K630 HydrophobicContact CG2-CB 3.84Å; I227-K630 HydrophobicContact CG2-CD 4.21Å; I227-K630 HydrophobicContact CG2-CG 4.32Å; I227-N632 WeakPolarHBondContact CG2-OD1 3.5Å
228L81.1Confident85.2Confident6 Ų653.8 Ų53.83%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-73.5123.3178.6-65.4167.4000109.2E226 A559 G562 M631E226-L228 PolarHBondContact O-N 2.89Å; L228-A559 HydrophobicContact CD1-CB 3.94Å; L228-G562 WeakPolarHBondContact CD2-O 3.38Å; L228-M631 HydrophobicContact CB-CB 3.86Å; L228-M631 HydrophobicContact CD1-CE 3.64Å; L228-M631 PolarHBondContact O-N 3.27Å
229H80.4Confident85.1Confident124 Ų12454.4 Ų54.457%0.57425%0.25SC*.EExtended strand (participates in β ladder)trans-93.8117.5176.3-83.7-99.2000108.6I227 K630I227-H229 PolarHBondContact O-CD2 3.01Å; I227-H229 PolarHBondContact O-N 2.89Å; H229-K630 VanDerWaalsContact CE1-CE 3.45Å; H229-K630 WeakPolarHBondContact CE1-CE 3.11Å; H229-K630 PolarHBondContact CE1-NZ 2.9Å
230L80.9Confident85Confident12 Ų1255.8 Ų55.86%0.06326%0.26CS..PPolyproline II helixtrans-91.4133.9-178.4-65.8171000111.1L235 D565 V568 I624 W629 M631L230-L235 HydrophobicContact CD1-CD1 4.29Å; L230-D565 WeakPolarHBondContact CA-OD1 3.32Å; L230-D565 WeakPolarHBondContact CD2-OD1 3.25Å; L230-V568 HydrophobicContact CD2-CB 4.32Å; L230-V568 HydrophobicContact CD2-CG2 3.88Å; L230-I624 HydrophobicContact CD1-CG2 4.16Å; L230-W629 PolarHBondContact N-O 3.23Å; L230-M631 HydrophobicContact CD1-CG 4.36Å; L230-M631 HydrophobicContact CD1-SD 4.06Å; L230-M631 HydrophobicContact CD2-SD 4.38Å; L230-M631 HydrophobicContact CG-SD 4.49Å
231T83.2Confident85.2Confident68 Ų6858 Ų5842%0.41727%0.269SS..PPolyproline II helixtrans-76.2131.2170.152.50000110.4W233 P234 D565T231-W233 VanDerWaalsContact C-N 3.32Å; T231-W233 PolarHBondContact O-N 2.88Å; T231-P234 WeakPolarHBondContact OG1-CD 3.28Å; T231-D565 VanDerWaalsContact CB-OD2 3.29Å; T231-D565 WeakPolarHBondContact CB-OD2 3.49Å; T231-D565 WeakPolarHBondContact CG2-OD2 3.28Å; T231-D565 PolarHBondContact N-OD1 3.27Å; T231-D565 PolarHBondContact N-OD2 3.06Å; T231-D565 PolarHBondContact OG1-OD1 3.26Å; T231-D565 PolarHBondContact OG1-OD2 3.33Å
232W81.8Confident85.3Confident102 Ų10257.9 Ų57.939%0.38627%0.269SS..Hα-helixtrans-64.5-36.5-175.9-177.663.6000113.3F236 L291 W629W232-F236 HydrophobicContact CD2-CB 4.31Å; W232-F236 HydrophobicContact CH2-CB 4.4Å; W232-F236 AromaticContact CH2-CD1 3.91Å; W232-F236 HydrophobicContact CH2-CD1 3.91Å; W232-F236 HydrophobicContact CH2-CD2 4.3Å; W232-F236 HydrophobicContact CH2-CE1 4.29Å; W232-F236 AromaticContact CH2-CG 3.92Å; W232-F236 HydrophobicContact CH2-CG 3.92Å; W232-F236 HydrophobicContact CZ2-CB 3.95Å; W232-F236 HydrophobicContact CZ2-CD1 4.07Å; W232-F236 AromaticContact CZ2-CD2 3.66Å; W232-F236 HydrophobicContact CZ2-CD2 3.66Å; W232-F236 HydrophobicContact CZ2-CE2 4.2Å; W232-F236 AromaticContact CZ2-CG 3.59Å; W232-F236 HydrophobicContact CZ2-CG 3.59Å; W232-F236 WeakPolarHBondContact O-CB 3.2Å; W232-F236 PolarHBondContact O-N 3.43Å; W232-L291 HydrophobicContact CH2-CD1 4.26Å; W232-L291 HydrophobicContact CZ3-CD1 3.78Å; W232-W629 AromaticContact CD1-CE2 3.59Å; W232-W629 AromaticContact CD1-CH2 3.39Å; W232-W629 AromaticContact CD1-CZ2 3.26Å; W232-W629 AromaticContact CD1-CZ3 3.81Å; W232-W629 HydrophobicContact CG-CZ2 4.47Å; W232-W629 AromaticContact NE1-CH2 3.83Å; W232-W629 AromaticContact NE1-CZ2 3.67Å
233W83.3Confident85.5Confident26 Ų2657.4 Ų57.410%0.09827%0.266CS..Hα-helixtrans-70.1-54.2-166.5170.8-103.2000114.4T231 L235 F236 R237 N280 L283 E284 V287T231-W233 VanDerWaalsContact C-N 3.32Å; T231-W233 PolarHBondContact O-N 2.88Å; W233-L235 VanDerWaalsContact C-N 3.34Å; W233-L235 PolarHBondContact O-N 3.45Å; W233-F236 PolarHBondContact O-N 3.12Å; W233-R237 WeakPolarHBondContact O-CB 3.24Å; W233-R237 PolarHBondContact O-N 3.26Å; W233-N280 PolarHBondContact NE1-OD1 3.45Å; W233-N280 VanDerWaalsContact NE1-OD1 3.15Å; W233-L283 HydrophobicContact CZ2-CB 4.09Å; W233-E284 VanDerWaalsContact CD1-CD 3.49Å; W233-E284 HydrophobicContact CD2-CB 4.38Å; W233-E284 HydrophobicContact CD2-CG 4.12Å; W233-E284 HydrophobicContact CG-CG 3.9Å; W233-E284 VanDerWaalsContact CZ2-CA 3.49Å; W233-E284 HydrophobicContact CZ2-CB 4.06Å; W233-V287 HydrophobicContact CE3-CB 4.48Å; W233-V287 HydrophobicContact CE3-CG1 4.41Å; W233-V287 HydrophobicContact CH2-CB 3.74Å; W233-V287 HydrophobicContact CH2-CG1 4.29Å; W233-V287 HydrophobicContact CH2-CG2 3.54Å; W233-V287 HydrophobicContact CZ3-CB 3.55Å; W233-V287 HydrophobicContact CZ3-CG1 3.62Å; W233-V287 HydrophobicContact CZ3-CG2 3.74Å
234P80.7Confident85.7Confident32 Ų3255.7 Ų55.721%0.20827%0.266CS..Hα-helixtrans-61.7-44-179.3-21.834.7000111.5T231 R237 D238T231-P234 WeakPolarHBondContact OG1-CD 3.28Å; P234-R237 WeakPolarHBondContact O-CB 3.5Å; P234-R237 PolarHBondContact O-N 3.43Å; P234-D238 VanDerWaalsContact O-CG 3.23Å; P234-D238 PolarHBondContact O-N 2.99Å
235L82.9Confident86.1Confident17 Ų1755.7 Ų55.79%0.08927%0.265CS..Hα-helixtrans-62.1-46.8178.2-177.4158.1000111.7L230 W233 R237 D238 I239 V568 I624 W629L230-L235 HydrophobicContact CD1-CD1 4.29Å; W233-L235 VanDerWaalsContact C-N 3.34Å; W233-L235 PolarHBondContact O-N 3.45Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 3.34Å; L235-D238 PolarHBondContact O-N 2.83Å; L235-I239 HydrophobicContact CD2-CD1 3.57Å; L235-I239 HydrophobicContact CD2-CG1 4.26Å; L235-I239 HydrophobicContact CG-CD1 3.94Å; L235-I239 HydrophobicContact CG-CG1 4.46Å; L235-I239 VanDerWaalsContact O-CB 3.24Å; L235-I239 WeakPolarHBondContact O-CB 3.17Å; L235-I239 WeakPolarHBondContact O-CG1 3.17Å; L235-I239 PolarHBondContact O-N 3.29Å; L235-V568 HydrophobicContact CD1-CG1 4.18Å; L235-I624 HydrophobicContact CD1-CD1 4.32Å; L235-W629 HydrophobicContact CD1-CZ3 4.03Å; L235-W629 HydrophobicContact CD2-CH2 4.07Å; L235-W629 HydrophobicContact CD2-CZ3 3.7Å; L235-W629 HydrophobicContact CG-CZ3 4.37Å
236F86.3Confident86.7Confident91 Ų9146.6 Ų46.640%0.39923%0.231SC..Hα-helixtrans-61.3-42.3177.2174.8-100.8000112W232 W233 S240W232-F236 HydrophobicContact CD2-CB 4.31Å; W232-F236 HydrophobicContact CH2-CB 4.4Å; W232-F236 AromaticContact CH2-CD1 3.91Å; W232-F236 HydrophobicContact CH2-CD1 3.91Å; W232-F236 HydrophobicContact CH2-CD2 4.3Å; W232-F236 HydrophobicContact CH2-CE1 4.29Å; W232-F236 AromaticContact CH2-CG 3.92Å; W232-F236 HydrophobicContact CH2-CG 3.92Å; W232-F236 HydrophobicContact CZ2-CB 3.95Å; W232-F236 HydrophobicContact CZ2-CD1 4.07Å; W232-F236 AromaticContact CZ2-CD2 3.66Å; W232-F236 HydrophobicContact CZ2-CD2 3.66Å; W232-F236 HydrophobicContact CZ2-CE2 4.2Å; W232-F236 AromaticContact CZ2-CG 3.59Å; W232-F236 HydrophobicContact CZ2-CG 3.59Å; W232-F236 WeakPolarHBondContact O-CB 3.2Å; W232-F236 PolarHBondContact O-N 3.43Å; W233-F236 PolarHBondContact O-N 3.12Å; F236-S240 VanDerWaalsContact O-CB 3.27Å; F236-S240 WeakPolarHBondContact O-CB 3.39Å; F236-S240 PolarHBondContact O-N 3.06Å; F236-S240 PolarHBondContact O-OG 3.47Å
237R86.3Confident87.2Confident22 Ų2242.8 Ų42.88%0.08322%0.216CC..Hα-helixtrans-58.6-58.8175.4174-159.266.7-148.1-4.7110.6W233 P234 L235 I239 S240 F241 M277 N280W233-R237 WeakPolarHBondContact O-CB 3.24Å; W233-R237 PolarHBondContact O-N 3.26Å; P234-R237 WeakPolarHBondContact O-CB 3.5Å; P234-R237 PolarHBondContact O-N 3.43Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 3.34Å; R237-I239 PolarHBondContact O-N 3.4Å; R237-S240 WeakPolarHBondContact O-CB 3.43Å; R237-S240 PolarHBondContact O-N 3.12Å; R237-S240 VanDerWaalsContact O-N 3.1Å; R237-F241 HydrophobicContact CG-CD2 4.41Å; R237-F241 HydrophobicContact CG-CE2 4.28Å; R237-F241 WeakPolarHBondContact O-CD2 3.3Å; R237-F241 PolarHBondContact O-N 2.99Å; R237-M277 VanDerWaalsContact CZ-CE 3.44Å; R237-M277 VanDerWaalsContact CZ-SD 3.52Å; R237-N280 PolarHBondContact NH1-ND2 3.17Å; R237-N280 PolarHBondContact NH1-OD1 3.32Å
238D87.6Confident87.6Confident1 Ų140 Ų401%0.00520%0.201CC..Hα-helixtrans-63.1-44.6-173-63.1-22.5000111.3P234 L235 S240 F241 Y242 Y273 M277 S569 V572 I576P234-D238 VanDerWaalsContact O-CG 3.23Å; P234-D238 PolarHBondContact O-N 2.99Å; L235-D238 PolarHBondContact O-N 2.83Å; D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 PolarHBondContact O-N 3.21Å; D238-F241 PolarHBondContact O-N 2.83Å; D238-Y242 WeakPolarHBondContact O-CB 3.43Å; D238-Y242 PolarHBondContact O-N 3.2Å; D238-Y273 PolarHBondContact OD1-OH 3.11Å; D238-M277 WeakPolarHBondContact OD1-CE 3.19Å; D238-S569 PolarHBondContact OD2-OG 2.82Å; D238-S569 VanDerWaalsContact OD2-OG 3.08Å; D238-V572 HydrophobicContact CB-CG1 3.73Å; D238-I576 HydrophobicContact CB-CD1 4.23Å; D238-I576 WeakPolarHBondContact O-CD1 3.4Å
239I88.9Confident88.2Confident13 Ų1339.9 Ų39.97%0.06720%0.2CC..Hα-helixtrans-64.8-32.2175.9-69.9-169.4000112.3L235 R237 Y242 I243 V572 L617 I621L235-I239 HydrophobicContact CD2-CD1 3.57Å; L235-I239 HydrophobicContact CD2-CG1 4.26Å; L235-I239 HydrophobicContact CG-CD1 3.94Å; L235-I239 HydrophobicContact CG-CG1 4.46Å; L235-I239 VanDerWaalsContact O-CB 3.24Å; L235-I239 WeakPolarHBondContact O-CB 3.17Å; L235-I239 WeakPolarHBondContact O-CG1 3.17Å; L235-I239 PolarHBondContact O-N 3.29Å; R237-I239 PolarHBondContact O-N 3.4Å; I239-Y242 PolarHBondContact O-N 3.39Å; I239-I243 HydrophobicContact CG2-CD1 3.79Å; I239-I243 HydrophobicContact CG2-CG1 4.21Å; I239-I243 WeakPolarHBondContact O-CB 3.44Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.47Å; I239-I243 PolarHBondContact O-N 3.26Å; I239-V572 HydrophobicContact CG1-CG1 4.4Å; I239-L617 HydrophobicContact CD1-CD1 4.34Å; I239-L617 HydrophobicContact CG2-CD1 4.35Å; I239-I621 HydrophobicContact CD1-CD1 4.39Å; I239-I621 HydrophobicContact CD1-CG1 3.8Å; I239-I621 HydrophobicContact CG2-CD1 3.33Å; I239-I621 HydrophobicContact CG2-CG1 3.86Å
240S90.9Very high88.6Confident41 Ų4135.1 Ų35.129%0.28718%0.179SC..Hα-helixtrans-66.6-39.7176.8-63.70000112.1F236 R237 D238 V244F236-S240 VanDerWaalsContact O-CB 3.27Å; F236-S240 WeakPolarHBondContact O-CB 3.39Å; F236-S240 PolarHBondContact O-N 3.06Å; F236-S240 PolarHBondContact O-OG 3.47Å; R237-S240 WeakPolarHBondContact O-CB 3.43Å; R237-S240 PolarHBondContact O-N 3.12Å; R237-S240 VanDerWaalsContact O-N 3.1Å; D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 PolarHBondContact O-N 3.21Å; S240-V244 WeakPolarHBondContact O-CG2 3.29Å; S240-V244 PolarHBondContact O-N 2.9Å
241F92.7Very high89.1Confident47 Ų4739.9 Ų39.921%0.20620%0.204CC..Hα-helixtrans-63.8-51.4171.2-79.5-81.8000110.6R237 D238 I243 V244 D245 Y273 T276R237-F241 HydrophobicContact CG-CD2 4.41Å; R237-F241 HydrophobicContact CG-CE2 4.28Å; R237-F241 WeakPolarHBondContact O-CD2 3.3Å; R237-F241 PolarHBondContact O-N 2.99Å; D238-F241 PolarHBondContact O-N 2.83Å; F241-I243 VanDerWaalsContact C-N 3.27Å; F241-I243 PolarHBondContact O-N 3.43Å; F241-V244 CarbonylContact O-C 3.6Å; F241-V244 WeakPolarHBondContact O-CA 3.36Å; F241-V244 WeakPolarHBondContact O-CB 3.19Å; F241-V244 PolarHBondContact O-N 3.3Å; F241-D245 VanDerWaalsContact O-CG 3.3Å; F241-D245 PolarHBondContact O-N 3.42Å; F241-Y273 HydrophobicContact CB-CD2 3.97Å; F241-Y273 HydrophobicContact CB-CE2 4.47Å; F241-Y273 HydrophobicContact CD1-CD2 4.17Å; F241-Y273 AromaticContact CD2-CD2 3.72Å; F241-Y273 HydrophobicContact CD2-CD2 3.72Å; F241-Y273 HydrophobicContact CD2-CE2 4.26Å; F241-Y273 HydrophobicContact CE2-CD2 4.29Å; F241-Y273 AromaticContact CG-CD2 3.67Å; F241-Y273 HydrophobicContact CG-CD2 3.67Å; F241-Y273 HydrophobicContact CG-CE2 4.44Å; F241-T276 HydrophobicContact CE2-CG2 3.82Å; F241-T276 HydrophobicContact CZ-CG2 3.71Å; F241-T276 WeakPolarHBondContact CZ-OG1 3.42Å
242Y93Very high89.4Confident0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-57.5-35.9-179.7-169.9-122.9000113.6I213 D238 I239 L246 N575 I576 I579 L617I213-Y242 HydrophobicContact CD1-CD1 4.34Å; I213-Y242 HydrophobicContact CD1-CE1 3.41Å; I213-Y242 VanDerWaalsContact CD1-CE1 3.41Å; D238-Y242 WeakPolarHBondContact O-CB 3.43Å; D238-Y242 PolarHBondContact O-N 3.2Å; I239-Y242 PolarHBondContact O-N 3.39Å; Y242-L246 HydrophobicContact CD1-CD1 3.98Å; Y242-L246 HydrophobicContact CE1-CD1 3.63Å; Y242-L246 HydrophobicContact CE2-CD1 4.31Å; Y242-L246 HydrophobicContact CE2-CG 4.41Å; Y242-L246 HydrophobicContact CG-CD1 4.4Å; Y242-L246 VanDerWaalsContact O-CB 3.3Å; Y242-L246 WeakPolarHBondContact O-CB 3.45Å; Y242-L246 VanDerWaalsContact O-CG 3.28Å; Y242-L246 WeakPolarHBondContact O-CG 3.38Å; Y242-L246 PolarHBondContact O-N 3.07Å; Y242-N575 HydrophobicContact CD2-CB 4.45Å; Y242-N575 HydrophobicContact CE2-CB 3.73Å; Y242-I576 HydrophobicContact CD2-CG1 3.8Å; Y242-I576 HydrophobicContact CG-CG1 4.18Å; Y242-I579 HydrophobicContact CD2-CD1 4.4Å; Y242-I579 HydrophobicContact CE2-CD1 3.53Å; Y242-I579 HydrophobicContact CE2-CG1 4.32Å; Y242-L617 HydrophobicContact CD1-CD1 3.8Å; Y242-L617 HydrophobicContact CD1-CD2 3.38Å; Y242-L617 HydrophobicContact CD1-CG 4.18Å; Y242-L617 HydrophobicContact CE1-CD1 3.95Å; Y242-L617 HydrophobicContact CE1-CD2 3.69Å; Y242-L617 HydrophobicContact CE1-CG 4.28Å; Y242-L617 HydrophobicContact CG-CD2 4.45Å
243I93.4Very high89.7Confident41 Ų4132.8 Ų32.821%0.2117%0.17CC..Hα-helixtrans-63.6-43.6171.6-77.9171.8000111.7I239 F241 L247 F614 L617 L618 I621I239-I243 HydrophobicContact CG2-CD1 3.79Å; I239-I243 HydrophobicContact CG2-CG1 4.21Å; I239-I243 WeakPolarHBondContact O-CB 3.44Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.47Å; I239-I243 PolarHBondContact O-N 3.26Å; F241-I243 VanDerWaalsContact C-N 3.27Å; F241-I243 PolarHBondContact O-N 3.43Å; I243-L247 HydrophobicContact CG2-CD1 4.02Å; I243-L247 WeakPolarHBondContact O-CB 3.33Å; I243-L247 VanDerWaalsContact O-CG 3.25Å; I243-L247 WeakPolarHBondContact O-CG 3.36Å; I243-L247 PolarHBondContact O-N 3.4Å; I243-F614 HydrophobicContact CG2-CE2 4.24Å; I243-L617 HydrophobicContact CG1-CD2 3.66Å; I243-L618 HydrophobicContact CD1-CD2 4.35Å; I243-I621 HydrophobicContact CD1-CD1 3.99Å
244V94.4Very high89.8Confident88 Ų8835 Ų3553%0.53318%0.183SC..Hα-helixtrans-67.4-44.6178.6170.50000110.7S240 F241 L246 L247 M248S240-V244 WeakPolarHBondContact O-CG2 3.29Å; S240-V244 PolarHBondContact O-N 2.9Å; F241-V244 CarbonylContact O-C 3.6Å; F241-V244 WeakPolarHBondContact O-CA 3.36Å; F241-V244 WeakPolarHBondContact O-CB 3.19Å; F241-V244 PolarHBondContact O-N 3.3Å; V244-L246 VanDerWaalsContact C-N 3.33Å; V244-L246 PolarHBondContact O-N 3.4Å; V244-L247 PolarHBondContact O-N 3.06Å; V244-M248 WeakPolarHBondContact O-CB 3.49Å; V244-M248 PolarHBondContact O-N 2.98Å
245D93.8Very high90.1Very high2 Ų238 Ų381%0.01120%0.198CC..Hα-helixtrans-63-39.6178.7-61.7-36.9000111.3F241 M248 L249 A269 I579 T580F241-D245 VanDerWaalsContact O-CG 3.3Å; F241-D245 PolarHBondContact O-N 3.42Å; D245-M248 PolarHBondContact O-N 3.14Å; D245-L249 WeakPolarHBondContact O-CB 3.32Å; D245-L249 PolarHBondContact O-N 2.76Å; D245-A269 WeakPolarHBondContact OD1-CB 3.43Å; D245-I579 HydrophobicContact CB-CG2 4.32Å; D245-T580 HydrophobicContact CB-CG2 3.77Å; D245-T580 WeakPolarHBondContact OD2-CG2 3.36Å
246L93.2Very high90.2Very high1 Ų138.6 Ų38.61%0.00520%0.203CC..Hα-helixtrans-67.4-42.6173.7-80.8170.5000113.7Y242 V244 M248 L249 I250 I579 I610 L613 F614 L617Y242-L246 HydrophobicContact CD1-CD1 3.98Å; Y242-L246 HydrophobicContact CE1-CD1 3.63Å; Y242-L246 HydrophobicContact CE2-CD1 4.31Å; Y242-L246 HydrophobicContact CE2-CG 4.41Å; Y242-L246 HydrophobicContact CG-CD1 4.4Å; Y242-L246 VanDerWaalsContact O-CB 3.3Å; Y242-L246 WeakPolarHBondContact O-CB 3.45Å; Y242-L246 VanDerWaalsContact O-CG 3.28Å; Y242-L246 WeakPolarHBondContact O-CG 3.38Å; Y242-L246 PolarHBondContact O-N 3.07Å; V244-L246 VanDerWaalsContact C-N 3.33Å; V244-L246 PolarHBondContact O-N 3.4Å; L246-M248 PolarHBondContact O-N 2.86Å; L246-L249 PolarHBondContact O-N 2.87Å; L246-I250 WeakPolarHBondContact O-CB 3.42Å; L246-I250 VanDerWaalsContact O-CG1 3.23Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 3.45Å; L246-I579 HydrophobicContact CD2-CD1 3.39Å; L246-I579 HydrophobicContact CG-CD1 3.94Å; L246-I610 HydrophobicContact CD2-CG2 4.35Å; L246-L613 HydrophobicContact CD1-CD2 3.47Å; L246-L613 VanDerWaalsContact CD1-CD2 3.47Å; L246-L613 HydrophobicContact CD2-CD2 3.32Å; L246-L613 HydrophobicContact CG-CD2 4.03Å; L246-F614 HydrophobicContact CB-CD2 4.02Å; L246-F614 HydrophobicContact CD1-CD2 4.28Å; L246-L617 HydrophobicContact CD1-CD2 3.74Å
247L93.1Very high90.3Very high77 Ų7736.9 Ų36.940%0.40320%0.2SC..Hα-helixtrans-62.6-38175.2-73.9169.4000110.9I243 V244 L251 F614I243-L247 HydrophobicContact CG2-CD1 4.02Å; I243-L247 WeakPolarHBondContact O-CB 3.33Å; I243-L247 VanDerWaalsContact O-CG 3.25Å; I243-L247 WeakPolarHBondContact O-CG 3.36Å; I243-L247 PolarHBondContact O-N 3.4Å; V244-L247 PolarHBondContact O-N 3.06Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.42Å; L247-L251 VanDerWaalsContact O-N 3.1Å; L247-F614 HydrophobicContact CD1-CE2 4.47Å; L247-F614 HydrophobicContact CD2-CE2 3.89Å; L247-F614 HydrophobicContact CD2-CZ 3.89Å; L247-F614 HydrophobicContact CG-CE2 3.89Å; L247-F614 HydrophobicContact CG-CZ 4.3Å
248M92.6Very high90.5Very high30 Ų3035.9 Ų35.915%0.14820%0.196CC..Hα-helixtrans-67-44.2175.8-170.1164.971.600111.9V244 D245 L246 I250 L251 F252 L265 L266 A269V244-M248 WeakPolarHBondContact O-CB 3.49Å; V244-M248 PolarHBondContact O-N 2.98Å; D245-M248 PolarHBondContact O-N 3.14Å; L246-M248 PolarHBondContact O-N 2.86Å; M248-I250 PolarHBondContact O-N 3.43Å; M248-L251 PolarHBondContact O-N 2.58Å; M248-F252 HydrophobicContact CE-CE2 4.42Å; M248-F252 HydrophobicContact CG-CD2 4.24Å; M248-F252 HydrophobicContact CG-CE1 4.06Å; M248-F252 HydrophobicContact CG-CE2 3.41Å; M248-F252 VanDerWaalsContact CG-CE2 3.41Å; M248-F252 HydrophobicContact CG-CZ 3.27Å; M248-F252 WeakPolarHBondContact O-CD2 3.34Å; M248-F252 WeakPolarHBondContact O-CG 3.39Å; M248-F252 PolarHBondContact O-N 3.27Å; M248-F252 VanDerWaalsContact O-N 3.13Å; M248-F252 HydrophobicContact SD-CE2 4.14Å; M248-F252 HydrophobicContact SD-CZ 3.89Å; M248-L265 HydrophobicContact CE-CG 4.45Å; M248-L265 HydrophobicContact SD-CD2 4.17Å; M248-L265 HydrophobicContact SD-CG 3.8Å; M248-L266 HydrophobicContact CE-CB 4.36Å; M248-L266 HydrophobicContact CE-CD2 3.59Å; M248-L266 HydrophobicContact CE-CG 3.89Å; M248-A269 HydrophobicContact CE-CB 3.82Å
249L91.7Very high90.7Very high2 Ų238.5 Ų38.51%0.0121%0.21CC..Hα-helixtrans-61-43.6174-172.472000112.1D245 L246 L251 F252 F253 L266 I579 L583 W587 I610D245-L249 WeakPolarHBondContact O-CB 3.32Å; D245-L249 PolarHBondContact O-N 2.76Å; L246-L249 PolarHBondContact O-N 2.87Å; L249-L251 VanDerWaalsContact C-N 3.28Å; L249-L251 PolarHBondContact O-N 3.04Å; L249-F252 PolarHBondContact O-N 2.88Å; L249-F253 HydrophobicContact CD1-CD2 4.02Å; L249-F253 HydrophobicContact CD1-CE2 3.52Å; L249-F253 HydrophobicContact CD1-CZ 4.35Å; L249-F253 HydrophobicContact CG-CD2 4.17Å; L249-F253 HydrophobicContact CG-CE2 4.02Å; L249-F253 VanDerWaalsContact O-CD2 3.24Å; L249-F253 WeakPolarHBondContact O-CD2 3.23Å; L249-F253 PolarHBondContact O-N 3.35Å; L249-F253 VanDerWaalsContact O-N 3.1Å; L249-L266 HydrophobicContact CD1-CD1 4.23Å; L249-I579 HydrophobicContact CB-CG2 4.48Å; L249-I579 HydrophobicContact CD2-CD1 4.45Å; L249-I579 HydrophobicContact CD2-CG2 4.13Å; L249-L583 HydrophobicContact CD1-CD1 3.99Å; L249-L583 HydrophobicContact CD2-CD1 3.98Å; L249-W587 HydrophobicContact CD1-CH2 4.07Å; L249-W587 HydrophobicContact CD1-CZ3 4.22Å; L249-I610 HydrophobicContact CD2-CD1 4.03Å; L249-I610 HydrophobicContact CD2-CG1 4.43Å; L249-I610 HydrophobicContact CD2-CG2 3.99Å; L249-I610 HydrophobicContact CG-CD1 4.4Å
250I90.4Very high91Very high25 Ų2542.5 Ų42.513%0.12823%0.225CC..Hα-helixtrans-60.4-38.9176.6-72.1166000110.9L246 M248 F253 F607 I610 V611 F614L246-I250 WeakPolarHBondContact O-CB 3.42Å; L246-I250 VanDerWaalsContact O-CG1 3.23Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 3.45Å; M248-I250 PolarHBondContact O-N 3.43Å; I250-F253 PolarHBondContact O-N 3.37Å; I250-F607 HydrophobicContact CG2-CE2 3.95Å; I250-F607 HydrophobicContact CG2-CZ 4.26Å; I250-I610 HydrophobicContact CD1-CG2 4.32Å; I250-I610 HydrophobicContact CG1-CG2 3.61Å; I250-V611 HydrophobicContact CD1-CG2 4.35Å; I250-V611 HydrophobicContact CG1-CG2 4.43Å; I250-V611 HydrophobicContact CG2-CG2 4.46Å; I250-F614 HydrophobicContact CD1-CB 3.99Å; I250-F614 HydrophobicContact CD1-CG 4.2Å
251L90.1Very high91.1Very high111 Ų11146 Ų4658%0.58123%0.232SC*.Hα-helixtrans-65.8-43.4177.3-72.6168.4000112.4L247 M248 L249 F253 L254L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.42Å; L247-L251 VanDerWaalsContact O-N 3.1Å; M248-L251 PolarHBondContact O-N 2.58Å; L249-L251 VanDerWaalsContact C-N 3.28Å; L249-L251 PolarHBondContact O-N 3.04Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.64Å; L251-L254 HydrophobicContact CD2-CD1 4.04Å; L251-L254 WeakPolarHBondContact O-CB 3.5Å; L251-L254 WeakPolarHBondContact O-CG 3.32Å; L251-L254 PolarHBondContact O-N 2.77Å
252F90Very high91.1Very high15 Ų1544.2 Ų44.27%0.06622%0.224CC..Hα-helixtrans-71.4-18.7178.9-55.1-25.6000113.4M248 L249 L254 I258 W261 E262 L265 L266M248-F252 HydrophobicContact CE-CE2 4.42Å; M248-F252 HydrophobicContact CG-CD2 4.24Å; M248-F252 HydrophobicContact CG-CE1 4.06Å; M248-F252 HydrophobicContact CG-CE2 3.41Å; M248-F252 VanDerWaalsContact CG-CE2 3.41Å; M248-F252 HydrophobicContact CG-CZ 3.27Å; M248-F252 WeakPolarHBondContact O-CD2 3.34Å; M248-F252 WeakPolarHBondContact O-CG 3.39Å; M248-F252 PolarHBondContact O-N 3.27Å; M248-F252 VanDerWaalsContact O-N 3.13Å; M248-F252 HydrophobicContact SD-CE2 4.14Å; M248-F252 HydrophobicContact SD-CZ 3.89Å; L249-F252 PolarHBondContact O-N 2.88Å; F252-L254 VanDerWaalsContact C-N 3.32Å; F252-I258 HydrophobicContact CB-CD1 3.83Å; F252-I258 WeakPolarHBondContact O-CD1 3.47Å; F252-W261 HydrophobicContact CE1-CH2 4.38Å; F252-W261 HydrophobicContact CE1-CZ3 4.36Å; F252-E262 HydrophobicContact CD1-CB 4.12Å; F252-E262 HydrophobicContact CD1-CG 3.77Å; F252-E262 WeakPolarHBondContact CD1-OE1 3.35Å; F252-E262 HydrophobicContact CD2-CB 3.71Å; F252-E262 HydrophobicContact CD2-CG 4.29Å; F252-E262 HydrophobicContact CE1-CB 4.24Å; F252-E262 HydrophobicContact CE1-CG 3.92Å; F252-E262 HydrophobicContact CE2-CB 3.8Å; F252-E262 HydrophobicContact CE2-CG 4.39Å; F252-E262 HydrophobicContact CG-CB 3.88Å; F252-E262 HydrophobicContact CG-CG 3.99Å; F252-E262 HydrophobicContact CZ-CB 4.09Å; F252-E262 HydrophobicContact CZ-CG 4.24Å; F252-L265 HydrophobicContact CZ-CB 4.45Å; F252-L265 HydrophobicContact CZ-CD2 3.85Å; F252-L265 HydrophobicContact CZ-CG 4.31Å; F252-L266 HydrophobicContact CD2-CD1 4.14Å; F252-L266 HydrophobicContact CD2-CG 4.4Å; F252-L266 HydrophobicContact CE2-CD1 4.28Å; F252-L266 HydrophobicContact CE2-CG 4.06Å
253F88.7Confident91.2Very high6 Ų644.3 Ų44.33%0.02622%0.224CC..THydrogen-bonded Turntrans-85.1-3.6175.4-84.6-125000113.2I202 L249 I250 L251 S256 I258 W587 V601 L606 F607 I610I202-F253 HydrophobicContact CD1-CZ 4.35Å; I202-F253 HydrophobicContact CG2-CE1 4.31Å; I202-F253 HydrophobicContact CG2-CZ 4.12Å; L249-F253 HydrophobicContact CD1-CD2 4.02Å; L249-F253 HydrophobicContact CD1-CE2 3.52Å; L249-F253 HydrophobicContact CD1-CZ 4.35Å; L249-F253 HydrophobicContact CG-CD2 4.17Å; L249-F253 HydrophobicContact CG-CE2 4.02Å; L249-F253 VanDerWaalsContact O-CD2 3.24Å; L249-F253 WeakPolarHBondContact O-CD2 3.23Å; L249-F253 PolarHBondContact O-N 3.35Å; L249-F253 VanDerWaalsContact O-N 3.1Å; I250-F253 PolarHBondContact O-N 3.37Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.64Å; F253-S256 PolarHBondContact O-N 3.22Å; F253-I258 HydrophobicContact CD2-CD1 3.8Å; F253-I258 HydrophobicContact CE2-CD1 3.76Å; F253-I258 HydrophobicContact CE2-CG1 4.41Å; F253-W587 AromaticContact CE2-CH2 3.55Å; F253-W587 HydrophobicContact CE2-CH2 3.55Å; F253-W587 HydrophobicContact CE2-CZ2 4.22Å; F253-W587 HydrophobicContact CE2-CZ3 4.31Å; F253-W587 AromaticContact CZ-CH2 3.69Å; F253-W587 HydrophobicContact CZ-CH2 3.69Å; F253-W587 AromaticContact CZ-CZ2 3.95Å; F253-W587 HydrophobicContact CZ-CZ2 3.95Å; F253-V601 HydrophobicContact CD1-CG1 4.23Å; F253-V601 HydrophobicContact CE1-CG1 3.64Å; F253-V601 HydrophobicContact CZ-CG1 4.15Å; F253-L606 HydrophobicContact CE1-CD2 3.97Å; F253-L606 HydrophobicContact CE1-CG 4.14Å; F253-F607 HydrophobicContact CB-CD2 3.83Å; F253-F607 HydrophobicContact CB-CE2 4.5Å; F253-I610 HydrophobicContact CD1-CD1 3.51Å; F253-I610 HydrophobicContact CD2-CD1 4.41Å; F253-I610 HydrophobicContact CE1-CD1 3.41Å; F253-I610 VanDerWaalsContact CE1-CD1 3.41Å; F253-I610 HydrophobicContact CE2-CD1 4.35Å; F253-I610 HydrophobicContact CG-CD1 4.03Å; F253-I610 HydrophobicContact CZ-CD1 3.87Å
254L85.2Confident91.2Very high72 Ų7245.8 Ų45.838%0.37723%0.232SC..SBendtrans-68-43.7-176.8-68.8175.4000113L251 F252 S256 F607 V664L251-L254 HydrophobicContact CD2-CD1 4.04Å; L251-L254 WeakPolarHBondContact O-CB 3.5Å; L251-L254 WeakPolarHBondContact O-CG 3.32Å; L251-L254 PolarHBondContact O-N 2.77Å; F252-L254 VanDerWaalsContact C-N 3.32Å; L254-S256 VanDerWaalsContact C-N 3.27Å; L254-F607 HydrophobicContact CD2-CE2 3.72Å; L254-F607 HydrophobicContact CD2-CZ 3.78Å; L254-V664 HydrophobicContact CB-CG1 4.07Å; L254-V664 HydrophobicContact CD2-CG1 3.81Å; L254-V664 HydrophobicContact CD2-CG2 4.01Å; L254-V664 WeakPolarHBondContact O-CG1 3.3Å
255D86Confident91.3Very high96 Ų9645.1 Ų45.151%0.51323%0.225SC..SBendtrans-85.5-1.8177.360.910.6000113.2V257D255-V257 PolarHBondContact O-N 2.66Å; D255-V257 PolarHBondContact OD1-N 2.84Å; D255-V257 VanDerWaalsContact OD1-N 3.12Å
256S85.1Confident91.3Very high30 Ų3045 Ų4521%0.2123%0.225CC..SBendtrans62.918.3179.6-45.50000114.5F253 L254 V601 S603F253-S256 PolarHBondContact O-N 3.22Å; L254-S256 VanDerWaalsContact C-N 3.27Å; S256-V601 PolarHBondContact O-N 3.27Å; S256-S603 WeakPolarHBondContact OG-CB 3.41Å
257V88.5Confident91.4Very high54 Ų5446.9 Ų46.933%0.32724%0.235SC..EExtended strand (participates in β ladder)trans-140.9101.2-171.1176.10000109.6D255 D259 P598D255-V257 PolarHBondContact O-N 2.66Å; D255-V257 PolarHBondContact OD1-N 2.84Å; D255-V257 VanDerWaalsContact OD1-N 3.12Å; V257-D259 PolarHBondContact O-N 3.49Å; V257-P598 HydrophobicContact CG1-CB 3.48Å; V257-P598 VanDerWaalsContact CG1-CB 3.48Å; V257-P598 HydrophobicContact CG1-CG 3.7Å
258I91.4Very high91.5Very high2 Ų246.4 Ų46.41%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-79.9120.4-176.6-54-62.1000111.2F252 F253 E262 S263 W587 P598 V599 V601F252-I258 HydrophobicContact CB-CD1 3.83Å; F252-I258 WeakPolarHBondContact O-CD1 3.47Å; F253-I258 HydrophobicContact CD2-CD1 3.8Å; F253-I258 HydrophobicContact CE2-CD1 3.76Å; F253-I258 HydrophobicContact CE2-CG1 4.41Å; I258-E262 WeakPolarHBondContact CA-OE2 3.28Å; I258-E262 HydrophobicContact CG2-CB 4.41Å; I258-S263 WeakPolarHBondContact CG2-OG 3.17Å; I258-W587 HydrophobicContact CB-CE3 4.44Å; I258-W587 HydrophobicContact CD1-CZ3 4.49Å; I258-W587 HydrophobicContact CG1-CD2 4.43Å; I258-W587 HydrophobicContact CG1-CE3 4.31Å; I258-W587 HydrophobicContact CG1-CH2 4.41Å; I258-W587 HydrophobicContact CG1-CZ3 4.3Å; I258-W587 HydrophobicContact CG2-CB 4.48Å; I258-W587 HydrophobicContact CG2-CD2 4.12Å; I258-W587 HydrophobicContact CG2-CE3 3.7Å; I258-W587 HydrophobicContact CG2-CG 4.49Å; I258-W587 HydrophobicContact CG2-CZ3 4.24Å; I258-P598 CarbonylContact O-C 3.58Å; I258-P598 WeakPolarHBondContact O-CA 3.27Å; I258-P598 WeakPolarHBondContact O-CB 3.34Å; I258-V599 PolarHBondContact N-O 2.68Å; I258-V599 PolarHBondContact O-N 3.21Å; I258-V601 HydrophobicContact CG1-CG2 3.83Å
259D92.1Very high91.6Very high55 Ų5545.9 Ų45.929%0.29424%0.235SC..  trans-82.8158.5175-107-20.5000112.5V257 W261 E262 S263V257-D259 PolarHBondContact O-N 3.49Å; D259-W261 VanDerWaalsContact CB-CD1 3.47Å; D259-W261 HydrophobicContact CB-CG 4.29Å; D259-W261 VanDerWaalsContact CB-NE1 3.28Å; D259-W261 PolarHBondContact O-N 3.12Å; D259-W261 PolarHBondContact OD2-NE1 3.11Å; D259-E262 HydrophobicContact CB-CG 4.06Å; D259-E262 PolarHBondContact N-OE2 3.38Å; D259-E262 PolarHBondContact O-N 3.32Å; D259-S263 PolarHBondContact O-N 2.95Å; D259-S263 PolarHBondContact O-OG 3.37Å
260W93.7Very high91.6Very high98 Ų9847.4 Ų47.437%0.37124%0.241SC..Hα-helixtrans-62.6-31.2176.868.9-91.4000113L264 L596W260-L264 HydrophobicContact CE3-CD2 4.48Å; W260-L264 HydrophobicContact CZ3-CD2 3.96Å; W260-L264 WeakPolarHBondContact O-CB 3.21Å; W260-L264 PolarHBondContact O-N 2.99Å; W260-L596 HydrophobicContact CB-CD2 4.22Å; W260-L596 HydrophobicContact CD2-CD2 4.36Å; W260-L596 HydrophobicContact CG-CD2 3.98Å
261W93.7Very high91.7Very high114 Ų11449 Ų4943%0.43226%0.258SS..Hα-helixtrans-77.6-30.5-177.867.7-93.4000111.8F252 D259 L264 L265F252-W261 HydrophobicContact CE1-CH2 4.38Å; F252-W261 HydrophobicContact CE1-CZ3 4.36Å; D259-W261 VanDerWaalsContact CB-CD1 3.47Å; D259-W261 HydrophobicContact CB-CG 4.29Å; D259-W261 VanDerWaalsContact CB-NE1 3.28Å; D259-W261 PolarHBondContact O-N 3.12Å; D259-W261 PolarHBondContact OD2-NE1 3.11Å; W261-L264 PolarHBondContact O-N 3.11Å; W261-L265 HydrophobicContact CE3-CD2 4.48Å; W261-L265 HydrophobicContact CZ3-CD2 4.14Å; W261-L265 VanDerWaalsContact O-CB 3.27Å; W261-L265 WeakPolarHBondContact O-CB 3.39Å; W261-L265 PolarHBondContact O-N 3.31Å
262E93.6Very high91.7Very high10 Ų1047 Ų475%0.04725%0.251CS..Hα-helixtrans-68.1-43.8172.8-62.8-178.313500110.9F252 I258 D259 L264 L265 L266F252-E262 HydrophobicContact CD1-CB 4.12Å; F252-E262 HydrophobicContact CD1-CG 3.77Å; F252-E262 WeakPolarHBondContact CD1-OE1 3.35Å; F252-E262 HydrophobicContact CD2-CB 3.71Å; F252-E262 HydrophobicContact CD2-CG 4.29Å; F252-E262 HydrophobicContact CE1-CB 4.24Å; F252-E262 HydrophobicContact CE1-CG 3.92Å; F252-E262 HydrophobicContact CE2-CB 3.8Å; F252-E262 HydrophobicContact CE2-CG 4.39Å; F252-E262 HydrophobicContact CG-CB 3.88Å; F252-E262 HydrophobicContact CG-CG 3.99Å; F252-E262 HydrophobicContact CZ-CB 4.09Å; F252-E262 HydrophobicContact CZ-CG 4.24Å; I258-E262 WeakPolarHBondContact CA-OE2 3.28Å; I258-E262 HydrophobicContact CG2-CB 4.41Å; D259-E262 HydrophobicContact CB-CG 4.06Å; D259-E262 PolarHBondContact N-OE2 3.38Å; D259-E262 PolarHBondContact O-N 3.32Å; E262-L264 VanDerWaalsContact C-N 3.34Å; E262-L264 PolarHBondContact O-N 3.25Å; E262-L265 WeakPolarHBondContact O-CB 3.42Å; E262-L265 PolarHBondContact O-N 3.19Å; E262-L265 VanDerWaalsContact O-N 3.12Å; E262-L266 PolarHBondContact O-N 3.34Å
263S94.1Very high91.8Very high1 Ų146.4 Ų46.41%0.00725%0.248CC..Hα-helixtrans-59.5-44.6172.2-58.10000111.3I258 D259 L265 L266 L267 P584 W587I258-S263 WeakPolarHBondContact CG2-OG 3.17Å; D259-S263 PolarHBondContact O-N 2.95Å; D259-S263 PolarHBondContact O-OG 3.37Å; S263-L265 VanDerWaalsContact C-N 3.29Å; S263-L265 PolarHBondContact O-N 3.01Å; S263-L266 PolarHBondContact O-N 3.45Å; S263-L267 WeakPolarHBondContact O-CG 3.41Å; S263-L267 PolarHBondContact O-N 3.26Å; S263-L267 VanDerWaalsContact O-N 3.11Å; S263-P584 WeakPolarHBondContact O-CB 3.27Å; S263-W587 WeakPolarHBondContact OG-CB 3.24Å
264L94.8Very high91.7Very high72 Ų7248 Ų4838%0.37726%0.258SS..Hα-helixtrans-64.6-32.5174.9-177.861.7000112.6W260 W261 E262 L267 T268W260-L264 HydrophobicContact CE3-CD2 4.48Å; W260-L264 HydrophobicContact CZ3-CD2 3.96Å; W260-L264 WeakPolarHBondContact O-CB 3.21Å; W260-L264 PolarHBondContact O-N 2.99Å; W261-L264 PolarHBondContact O-N 3.11Å; E262-L264 VanDerWaalsContact C-N 3.34Å; E262-L264 PolarHBondContact O-N 3.25Å; L264-L267 PolarHBondContact O-N 2.98Å; L264-T268 WeakPolarHBondContact O-CB 3.4Å; L264-T268 PolarHBondContact O-N 3.13Å; L264-T268 PolarHBondContact O-OG1 3.24Å
265L95.6Very high91.8Very high74 Ų7450.6 Ų50.639%0.38727%0.267SS..Hα-helixtrans-71.8-40.7178.9-175.152.2000111.7M248 F252 W261 E262 S263 T268 A269M248-L265 HydrophobicContact CE-CG 4.45Å; M248-L265 HydrophobicContact SD-CD2 4.17Å; M248-L265 HydrophobicContact SD-CG 3.8Å; F252-L265 HydrophobicContact CZ-CB 4.45Å; F252-L265 HydrophobicContact CZ-CD2 3.85Å; F252-L265 HydrophobicContact CZ-CG 4.31Å; W261-L265 HydrophobicContact CE3-CD2 4.48Å; W261-L265 HydrophobicContact CZ3-CD2 4.14Å; W261-L265 VanDerWaalsContact O-CB 3.27Å; W261-L265 WeakPolarHBondContact O-CB 3.39Å; W261-L265 PolarHBondContact O-N 3.31Å; E262-L265 WeakPolarHBondContact O-CB 3.42Å; E262-L265 PolarHBondContact O-N 3.19Å; E262-L265 VanDerWaalsContact O-N 3.12Å; S263-L265 VanDerWaalsContact C-N 3.29Å; S263-L265 PolarHBondContact O-N 3.01Å; L265-T268 PolarHBondContact O-N 2.96Å; L265-A269 PolarHBondContact O-N 2.98Å
266L94.4Very high91.9Very high0 Ų047.2 Ų47.20%025%0.25CC..Hα-helixtrans-58.7-47.1168.4-78.7160.1000112M248 L249 F252 E262 S263 T268 A269 Y270 I579 T580 P584 W587M248-L266 HydrophobicContact CE-CB 4.36Å; M248-L266 HydrophobicContact CE-CD2 3.59Å; M248-L266 HydrophobicContact CE-CG 3.89Å; L249-L266 HydrophobicContact CD1-CD1 4.23Å; F252-L266 HydrophobicContact CD2-CD1 4.14Å; F252-L266 HydrophobicContact CD2-CG 4.4Å; F252-L266 HydrophobicContact CE2-CD1 4.28Å; F252-L266 HydrophobicContact CE2-CG 4.06Å; E262-L266 PolarHBondContact O-N 3.34Å; S263-L266 PolarHBondContact O-N 3.45Å; L266-T268 VanDerWaalsContact C-N 3.25Å; L266-T268 PolarHBondContact O-N 2.93Å; L266-A269 WeakPolarHBondContact O-CB 3.47Å; L266-A269 PolarHBondContact O-N 3.49Å; L266-A269 VanDerWaalsContact O-N 3.08Å; L266-Y270 PolarHBondContact O-N 2.88Å; L266-I579 HydrophobicContact CD2-CG2 4.29Å; L266-T580 CarbonylContact C-O 3.3Å; L266-T580 HydrophobicContact CD2-CG2 4.44Å; L266-P584 HydrophobicContact CB-CB 3.93Å; L266-P584 HydrophobicContact CB-CG 3.76Å; L266-P584 HydrophobicContact CD1-CB 4.13Å; L266-P584 HydrophobicContact CD1-CG 4.34Å; L266-W587 HydrophobicContact CD1-CZ3 4.17Å
267L95Very high91.7Very high40 Ų4046.1 Ų46.121%0.20924%0.241CC..Hα-helixtrans-61.7-34.3176.5-68.5166.9000112.5S263 L264 Y270 A271 T580 V581 P584 V585 F588S263-L267 WeakPolarHBondContact O-CG 3.41Å; S263-L267 PolarHBondContact O-N 3.26Å; S263-L267 VanDerWaalsContact O-N 3.11Å; L264-L267 PolarHBondContact O-N 2.98Å; L267-Y270 PolarHBondContact O-N 3.19Å; L267-A271 PolarHBondContact O-N 2.9Å; L267-T580 WeakPolarHBondContact CD2-O 3.21Å; L267-V581 HydrophobicContact CD2-CG1 4.43Å; L267-P584 HydrophobicContact CD2-CG 3.99Å; L267-P584 HydrophobicContact CG-CB 4.09Å; L267-P584 HydrophobicContact CG-CG 3.98Å; L267-V585 HydrophobicContact CD2-CG2 3.64Å; L267-F588 HydrophobicContact CD1-CB 4.35Å; L267-F588 HydrophobicContact CD1-CG 4.43Å
268T94.4Very high91.4Very high68 Ų6850.7 Ų50.742%0.41726%0.257SS..Hα-helixtrans-72.7-32.2175.8-57.20000111.7L264 L265 L266 A271 T272L264-T268 WeakPolarHBondContact O-CB 3.4Å; L264-T268 PolarHBondContact O-N 3.13Å; L264-T268 PolarHBondContact O-OG1 3.24Å; L265-T268 PolarHBondContact O-N 2.96Å; L266-T268 VanDerWaalsContact C-N 3.25Å; L266-T268 PolarHBondContact O-N 2.93Å; T268-A271 PolarHBondContact O-N 3.33Å; T268-T272 WeakPolarHBondContact O-CB 3.03Å; T268-T272 PolarHBondContact O-N 2.85Å; T268-T272 PolarHBondContact O-OG1 3.22Å
269A94.5Very high91.1Very high18 Ų1854.3 Ų54.315%0.14927%0.273CS..Hα-helixtrans-64.7-43.2171.200000111.2D245 M248 L265 L266 A271 T272 Y273D245-A269 WeakPolarHBondContact OD1-CB 3.43Å; M248-A269 HydrophobicContact CE-CB 3.82Å; L265-A269 PolarHBondContact O-N 2.98Å; L266-A269 WeakPolarHBondContact O-CB 3.47Å; L266-A269 PolarHBondContact O-N 3.49Å; L266-A269 VanDerWaalsContact O-N 3.08Å; A269-A271 PolarHBondContact O-N 3.26Å; A269-T272 CarbonylContact O-C 3.59Å; A269-T272 WeakPolarHBondContact O-CA 3.14Å; A269-T272 WeakPolarHBondContact O-CB 3.39Å; A269-T272 PolarHBondContact O-N 2.84Å; A269-T272 VanDerWaalsContact O-N 3.1Å; A269-Y273 PolarHBondContact O-N 3.39Å
270Y92.7Very high90.6Very high34 Ų3452.4 Ų52.413%0.13326%0.263CS..Hα-helixtrans-58.7-47.2171.7-169.3-115.6000112.4L266 L267 T272 Y273 V274 I576 F577 T580 V581L266-Y270 PolarHBondContact O-N 2.88Å; L267-Y270 PolarHBondContact O-N 3.19Å; Y270-T272 PolarHBondContact O-N 3.16Å; Y270-Y273 HydrophobicContact CD2-CD1 4.16Å; Y270-Y273 AromaticContact CE2-CD1 3.98Å; Y270-Y273 HydrophobicContact CE2-CD1 3.98Å; Y270-Y273 HydrophobicContact CE2-CE1 4.41Å; Y270-Y273 WeakPolarHBondContact O-CB 3.02Å; Y270-Y273 PolarHBondContact O-N 3.39Å; Y270-Y273 VanDerWaalsContact O-N 3.11Å; Y270-V274 HydrophobicContact CD1-CG2 3.99Å; Y270-V274 HydrophobicContact CD2-CG2 4.49Å; Y270-V274 HydrophobicContact CE1-CG2 3.61Å; Y270-V274 HydrophobicContact CE2-CG2 4.14Å; Y270-V274 HydrophobicContact CG-CG2 4.42Å; Y270-V274 WeakPolarHBondContact O-CG2 3.49Å; Y270-V274 PolarHBondContact O-N 3.3Å; Y270-I576 HydrophobicContact CD2-CG2 4.28Å; Y270-F577 HydrophobicContact CE1-CD2 4.22Å; Y270-F577 HydrophobicContact CE2-CB 4.23Å; Y270-F577 HydrophobicContact CE2-CD2 4.21Å; Y270-F577 AromaticContact CZ-CD2 3.8Å; Y270-T580 WeakPolarHBondContact CB-OG1 3.43Å; Y270-T580 WeakPolarHBondContact CD2-OG1 3.23Å; Y270-V581 HydrophobicContact CD1-CG2 3.45Å; Y270-V581 VanDerWaalsContact CD1-CG2 3.45Å; Y270-V581 HydrophobicContact CD2-CG2 4.04Å; Y270-V581 HydrophobicContact CE1-CG2 3.9Å; Y270-V581 HydrophobicContact CE2-CG2 4.44Å; Y270-V581 HydrophobicContact CG-CG2 3.53Å
271A91.6Very high89.9Confident58 Ų5851.8 Ų51.848%0.47927%0.27SS..Hα-helixtrans-59.5-34.9176.900000112L267 T268 A269 F275L267-A271 PolarHBondContact O-N 2.9Å; T268-A271 PolarHBondContact O-N 3.33Å; A269-A271 PolarHBondContact O-N 3.26Å; A271-F275 VanDerWaalsContact O-CB 3.3Å; A271-F275 WeakPolarHBondContact O-CB 3.38Å; A271-F275 PolarHBondContact O-N 3.11Å
272T91.3Very high89.4Confident71 Ų7153.7 Ų53.744%0.43628%0.278SS..Hα-helixtrans-68.4-44.1174.3-56.20000111.3T268 A269 Y270 F275 T276T268-T272 WeakPolarHBondContact O-CB 3.03Å; T268-T272 PolarHBondContact O-N 2.85Å; T268-T272 PolarHBondContact O-OG1 3.22Å; A269-T272 CarbonylContact O-C 3.59Å; A269-T272 WeakPolarHBondContact O-CA 3.14Å; A269-T272 WeakPolarHBondContact O-CB 3.39Å; A269-T272 PolarHBondContact O-N 2.84Å; A269-T272 VanDerWaalsContact O-N 3.1Å; Y270-T272 PolarHBondContact O-N 3.16Å; T272-F275 PolarHBondContact O-N 3Å; T272-T276 WeakPolarHBondContact O-CB 3.36Å; T272-T276 PolarHBondContact O-N 3.41Å; T272-T276 PolarHBondContact O-OG1 3.42Å
273Y90.4Very high88.9Confident1 Ų155.6 Ų55.60%0.00429%0.288CS..Hα-helixtrans-58-49.6173.6170.9-109.8000112.1T175 D238 F241 A269 Y270 F275 T276 M277 I576T175-Y273 HydrophobicContact CG2-CE1 4.34Å; D238-Y273 PolarHBondContact OD1-OH 3.11Å; F241-Y273 HydrophobicContact CB-CD2 3.97Å; F241-Y273 HydrophobicContact CB-CE2 4.47Å; F241-Y273 HydrophobicContact CD1-CD2 4.17Å; F241-Y273 AromaticContact CD2-CD2 3.72Å; F241-Y273 HydrophobicContact CD2-CD2 3.72Å; F241-Y273 HydrophobicContact CD2-CE2 4.26Å; F241-Y273 HydrophobicContact CE2-CD2 4.29Å; F241-Y273 AromaticContact CG-CD2 3.67Å; F241-Y273 HydrophobicContact CG-CD2 3.67Å; F241-Y273 HydrophobicContact CG-CE2 4.44Å; A269-Y273 PolarHBondContact O-N 3.39Å; Y270-Y273 HydrophobicContact CD2-CD1 4.16Å; Y270-Y273 AromaticContact CE2-CD1 3.98Å; Y270-Y273 HydrophobicContact CE2-CD1 3.98Å; Y270-Y273 HydrophobicContact CE2-CE1 4.41Å; Y270-Y273 WeakPolarHBondContact O-CB 3.02Å; Y270-Y273 PolarHBondContact O-N 3.39Å; Y270-Y273 VanDerWaalsContact O-N 3.11Å; Y273-F275 VanDerWaalsContact C-N 3.31Å; Y273-F275 PolarHBondContact O-N 3.12Å; Y273-T276 WeakPolarHBondContact O-CB 3.3Å; Y273-T276 PolarHBondContact O-N 2.81Å; Y273-M277 HydrophobicContact CE1-CE 4.3Å; Y273-M277 HydrophobicContact CE1-CG 4.44Å; Y273-M277 HydrophobicContact CE2-CE 3.72Å; Y273-M277 HydrophobicContact CE2-CG 4.24Å; Y273-M277 VanDerWaalsContact CZ-CE 3.44Å; Y273-M277 WeakPolarHBondContact O-CB 3.4Å; Y273-M277 WeakPolarHBondContact O-CG 3.34Å; Y273-M277 PolarHBondContact O-N 3.12Å; Y273-M277 WeakPolarHBondContact OH-CE 3.5Å; Y273-I576 HydrophobicContact CD1-CG2 3.97Å; Y273-I576 HydrophobicContact CD2-CD1 4.48Å; Y273-I576 HydrophobicContact CE1-CD1 4.35Å; Y273-I576 HydrophobicContact CE1-CG2 4.07Å; Y273-I576 HydrophobicContact CE2-CD1 3.81Å; Y273-I576 HydrophobicContact CG-CG2 4.27Å
274V87.4Confident88.4Confident40 Ų4058.1 Ų58.124%0.24230%0.3CS..Hα-helixtrans-61.1-39.6176.6177.50000111.4T175 Y270 M277 K278T175-V274 HydrophobicContact CG2-CG1 4.49Å; T175-V274 HydrophobicContact CG2-CG2 3.89Å; Y270-V274 HydrophobicContact CD1-CG2 3.99Å; Y270-V274 HydrophobicContact CD2-CG2 4.49Å; Y270-V274 HydrophobicContact CE1-CG2 3.61Å; Y270-V274 HydrophobicContact CE2-CG2 4.14Å; Y270-V274 HydrophobicContact CG-CG2 4.42Å; Y270-V274 WeakPolarHBondContact O-CG2 3.49Å; Y270-V274 PolarHBondContact O-N 3.3Å; V274-M277 WeakPolarHBondContact O-CB 3.16Å; V274-M277 PolarHBondContact O-N 3.49Å; V274-K278 PolarHBondContact O-N 3.35Å; V274-K278 VanDerWaalsContact O-N 3.09Å
275F87.7Confident88Confident126 Ų12659.8 Ų59.855%0.55331%0.306SS*.Hα-helixtrans-66-42.5174.6-178.7-96.1000112.2A271 T272 Y273 M277 K278 H279A271-F275 VanDerWaalsContact O-CB 3.3Å; A271-F275 WeakPolarHBondContact O-CB 3.38Å; A271-F275 PolarHBondContact O-N 3.11Å; T272-F275 PolarHBondContact O-N 3Å; Y273-F275 VanDerWaalsContact C-N 3.31Å; Y273-F275 PolarHBondContact O-N 3.12Å; F275-M277 VanDerWaalsContact C-N 3.33Å; F275-M277 PolarHBondContact O-N 3.37Å; F275-K278 WeakPolarHBondContact O-CB 3.07Å; F275-K278 PolarHBondContact O-N 3.23Å; F275-H279 AromaticContact CE1-CD2 3.77Å; F275-H279 AromaticContact CE2-CD2 3.91Å; F275-H279 AromaticContact CE2-NE2 3.63Å; F275-H279 AromaticContact CZ-CD2 3.6Å; F275-H279 AromaticContact CZ-NE2 3.52Å; F275-H279 PolarHBondContact O-CD2 3Å; F275-H279 VanDerWaalsContact O-CD2 3.31Å; F275-H279 PolarHBondContact O-N 2.89Å
276T86.9Confident87.5Confident26 Ų2662.6 Ų62.616%0.1631%0.312CS..Hα-helixtrans-60.9-42.6173.9-59.10000111.1F241 T272 Y273 K278 H279 N280 L283F241-T276 HydrophobicContact CE2-CG2 3.82Å; F241-T276 HydrophobicContact CZ-CG2 3.71Å; F241-T276 WeakPolarHBondContact CZ-OG1 3.42Å; T272-T276 WeakPolarHBondContact O-CB 3.36Å; T272-T276 PolarHBondContact O-N 3.41Å; T272-T276 PolarHBondContact O-OG1 3.42Å; Y273-T276 WeakPolarHBondContact O-CB 3.3Å; Y273-T276 PolarHBondContact O-N 2.81Å; T276-K278 PolarHBondContact O-N 3.18Å; T276-H279 CarbonylContact O-C 3.59Å; T276-H279 VanDerWaalsContact O-C 3.3Å; T276-H279 WeakPolarHBondContact O-CA 3.48Å; T276-H279 PolarHBondContact O-N 2.95Å; T276-N280 PolarHBondContact O-N 3.5Å; T276-L283 HydrophobicContact CG2-CD1 3.34Å
277M82.4Confident87.1Confident7 Ų764.1 Ų64.13%0.03432%0.321CS..Hα-helixtrans-58.3-44.1175.8-83.9-68.5-160.900112.9V171 A174 R237 D238 Y273 V274 F275 H279 N280V171-M277 HydrophobicContact CG1-CB 4.46Å; V171-M277 HydrophobicContact CG2-CB 4.28Å; A174-M277 HydrophobicContact CB-CE 3.47Å; A174-M277 VanDerWaalsContact CB-CE 3.47Å; A174-M277 HydrophobicContact CB-SD 4.32Å; R237-M277 VanDerWaalsContact CZ-CE 3.44Å; R237-M277 VanDerWaalsContact CZ-SD 3.52Å; D238-M277 WeakPolarHBondContact OD1-CE 3.19Å; Y273-M277 HydrophobicContact CE1-CE 4.3Å; Y273-M277 HydrophobicContact CE1-CG 4.44Å; Y273-M277 HydrophobicContact CE2-CE 3.72Å; Y273-M277 HydrophobicContact CE2-CG 4.24Å; Y273-M277 VanDerWaalsContact CZ-CE 3.44Å; Y273-M277 WeakPolarHBondContact O-CB 3.4Å; Y273-M277 WeakPolarHBondContact O-CG 3.34Å; Y273-M277 PolarHBondContact O-N 3.12Å; Y273-M277 WeakPolarHBondContact OH-CE 3.5Å; V274-M277 WeakPolarHBondContact O-CB 3.16Å; V274-M277 PolarHBondContact O-N 3.49Å; F275-M277 VanDerWaalsContact C-N 3.33Å; F275-M277 PolarHBondContact O-N 3.37Å; M277-H279 PolarHBondContact O-N 3.13Å; M277-H279 VanDerWaalsContact O-N 3.12Å; M277-N280 WeakPolarHBondContact O-CB 3.43Å; M277-N280 PolarHBondContact O-N 3.49Å
278K82.1Confident86.7Confident150 Ų15067 Ų6765%0.65233%0.332SS*.Hα-helixtrans-56.1-28.8173.3-174.8-178.6179-1800113V274 F275 T276V274-K278 PolarHBondContact O-N 3.35Å; V274-K278 VanDerWaalsContact O-N 3.09Å; F275-K278 WeakPolarHBondContact O-CB 3.07Å; F275-K278 PolarHBondContact O-N 3.23Å; T276-K278 PolarHBondContact O-N 3.18Å
279H84.1Confident86.4Confident77 Ų7769.2 Ų69.236%0.35634%0.338SS..THydrogen-bonded Turntrans-103.412.8178.5-66.5-66000113.7F275 T276 M277 V281 Y282 L283F275-H279 AromaticContact CE1-CD2 3.77Å; F275-H279 AromaticContact CE2-CD2 3.91Å; F275-H279 AromaticContact CE2-NE2 3.63Å; F275-H279 AromaticContact CZ-CD2 3.6Å; F275-H279 AromaticContact CZ-NE2 3.52Å; F275-H279 PolarHBondContact O-CD2 3Å; F275-H279 VanDerWaalsContact O-CD2 3.31Å; F275-H279 PolarHBondContact O-N 2.89Å; T276-H279 CarbonylContact O-C 3.59Å; T276-H279 VanDerWaalsContact O-C 3.3Å; T276-H279 WeakPolarHBondContact O-CA 3.48Å; T276-H279 PolarHBondContact O-N 2.95Å; M277-H279 PolarHBondContact O-N 3.13Å; M277-H279 VanDerWaalsContact O-N 3.12Å; H279-V281 PolarHBondContact O-N 3.47Å; H279-Y282 PolarHBondContact O-N 2.92Å; H279-Y282 VanDerWaalsContact O-N 3.1Å; H279-L283 HydrophobicContact CB-CD1 4.37Å; H279-L283 PolarHBondContact O-N 2.6Å; H279-L283 VanDerWaalsContact O-N 3.09Å
280N82.5Confident85.9Confident15 Ų1571.9 Ų71.98%0.0835%0.347CS..Hα-helixtrans-51.9-47.9-174.4174.957.4000113.5W233 R237 T276 M277 Y282 L283 E284W233-N280 PolarHBondContact NE1-OD1 3.45Å; W233-N280 VanDerWaalsContact NE1-OD1 3.15Å; R237-N280 PolarHBondContact NH1-ND2 3.17Å; R237-N280 PolarHBondContact NH1-OD1 3.32Å; T276-N280 PolarHBondContact O-N 3.5Å; M277-N280 WeakPolarHBondContact O-CB 3.43Å; M277-N280 PolarHBondContact O-N 3.49Å; N280-Y282 VanDerWaalsContact C-N 3.28Å; N280-Y282 PolarHBondContact O-N 3.09Å; N280-L283 PolarHBondContact O-N 3.34Å; N280-L283 VanDerWaalsContact O-N 3.17Å; N280-E284 WeakPolarHBondContact O-CB 3.43Å; N280-E284 PolarHBondContact O-N 3.09Å
281V78.5Confident85.6Confident85 Ų8574.3 Ų74.352%0.51536%0.362SS..Hα-helixtrans-60.1-38.6-177.8-179.10000112H279 Q285H279-V281 PolarHBondContact O-N 3.47Å; V281-Q285 VanDerWaalsContact O-CG 3.3Å; V281-Q285 WeakPolarHBondContact O-CG 3.49Å; V281-Q285 PolarHBondContact O-N 3.13Å
282Y83.1Confident85.3Confident155 Ų15575.9 Ų75.961%0.60836%0.362SS*.Hα-helixtrans-70.1-44177.3178-98.1000111.4H279 N280 E284 Q285 W286H279-Y282 PolarHBondContact O-N 2.92Å; H279-Y282 VanDerWaalsContact O-N 3.1Å; N280-Y282 VanDerWaalsContact C-N 3.28Å; N280-Y282 PolarHBondContact O-N 3.09Å; Y282-E284 PolarHBondContact O-N 2.94Å; Y282-Q285 PolarHBondContact O-N 3.35Å; Y282-W286 WeakPolarHBondContact O-CB 3.23Å; Y282-W286 PolarHBondContact O-N 2.96Å
283L83.1Confident85.1Confident49 Ų4980.1 Ų80.126%0.25737%0.37SS..Hα-helixtrans-63.5-40.5177.8-69.1164.7000112W233 T276 H279 N280 W286 V287W233-L283 HydrophobicContact CZ2-CB 4.09Å; T276-L283 HydrophobicContact CG2-CD1 3.34Å; H279-L283 HydrophobicContact CB-CD1 4.37Å; H279-L283 PolarHBondContact O-N 2.6Å; H279-L283 VanDerWaalsContact O-N 3.09Å; N280-L283 PolarHBondContact O-N 3.34Å; N280-L283 VanDerWaalsContact O-N 3.17Å; L283-W286 PolarHBondContact O-N 3.25Å; L283-V287 WeakPolarHBondContact O-CG2 3.24Å; L283-V287 PolarHBondContact O-N 3.04Å
284E83.6Confident84.7Confident54 Ų5483.7 Ų83.725%0.25239%0.392SS..Hα-helixtrans-61.2-46.9176.4-173.1175.4158.500111.6W233 N280 Y282 K288W233-E284 VanDerWaalsContact CD1-CD 3.49Å; W233-E284 HydrophobicContact CD2-CB 4.38Å; W233-E284 HydrophobicContact CD2-CG 4.12Å; W233-E284 HydrophobicContact CG-CG 3.9Å; W233-E284 VanDerWaalsContact CZ2-CA 3.49Å; W233-E284 HydrophobicContact CZ2-CB 4.06Å; N280-E284 WeakPolarHBondContact O-CB 3.43Å; N280-E284 PolarHBondContact O-N 3.09Å; Y282-E284 PolarHBondContact O-N 2.94Å; E284-K288 HydrophobicContact CG-CD 4.01Å; E284-K288 VanDerWaalsContact O-CB 3.24Å; E284-K288 WeakPolarHBondContact O-CB 3.22Å; E284-K288 VanDerWaalsContact O-CG 3.23Å; E284-K288 WeakPolarHBondContact O-CG 3.47Å; E284-K288 PolarHBondContact O-N 3.11Å; E284-K288 WeakPolarHBondContact OE1-CE 3.48Å; E284-K288 IonicContact OE1-NZ 2.73Å; E284-K288 PolarHBondContact OE1-NZ 3.16Å
285Q85.7Confident84.6Confident108 Ų10886.1 Ų86.151%0.50540%0.403SS..Hα-helixtrans-63.8-44176.6-71175.812.400111.3V281 Y282 Q289V281-Q285 VanDerWaalsContact O-CG 3.3Å; V281-Q285 WeakPolarHBondContact O-CG 3.49Å; V281-Q285 PolarHBondContact O-N 3.13Å; Y282-Q285 PolarHBondContact O-N 3.35Å; Q285-Q289 WeakPolarHBondContact O-CB 3.44Å; Q285-Q289 WeakPolarHBondContact O-CG 3.24Å; Q285-Q289 PolarHBondContact O-N 2.98Å
286W86.6Confident84.4Confident132 Ų13284.6 Ų84.650%0.540%0.401SS..Hα-helixtrans-63.6-49.8179.4-179.776.3000112.1Y282 L283 K288 Q289 E290Y282-W286 WeakPolarHBondContact O-CB 3.23Å; Y282-W286 PolarHBondContact O-N 2.96Å; L283-W286 PolarHBondContact O-N 3.25Å; W286-K288 PolarHBondContact O-N 2.82Å; W286-Q289 WeakPolarHBondContact O-CB 3.23Å; W286-Q289 PolarHBondContact O-N 3.17Å; W286-E290 PolarHBondContact O-N 3.29Å
287V85.2Confident84.3Confident33 Ų3387.9 Ų87.920%0.242%0.421CS..Hα-helixtrans-66.7-39.1178.3177.20000111.5W233 L283 Q289 E290 L291W233-V287 HydrophobicContact CE3-CB 4.48Å; W233-V287 HydrophobicContact CE3-CG1 4.41Å; W233-V287 HydrophobicContact CH2-CB 3.74Å; W233-V287 HydrophobicContact CH2-CG1 4.29Å; W233-V287 HydrophobicContact CH2-CG2 3.54Å; W233-V287 HydrophobicContact CZ3-CB 3.55Å; W233-V287 HydrophobicContact CZ3-CG1 3.62Å; W233-V287 HydrophobicContact CZ3-CG2 3.74Å; L283-V287 WeakPolarHBondContact O-CG2 3.24Å; L283-V287 PolarHBondContact O-N 3.04Å; V287-Q289 VanDerWaalsContact C-N 3.3Å; V287-Q289 PolarHBondContact O-N 3.38Å; V287-E290 PolarHBondContact O-N 3.09Å; V287-L291 HydrophobicContact CG1-CD1 4.04Å; V287-L291 WeakPolarHBondContact O-CB 3.42Å; V287-L291 PolarHBondContact O-N 3.1Å
288K86.1Confident84.3Confident100 Ų10092 Ų9244%0.43545%0.446SS..Hα-helixtrans-61.4-37.8174.1-76.7176.1176.11770112.2E284 W286 N292E284-K288 HydrophobicContact CG-CD 4.01Å; E284-K288 VanDerWaalsContact O-CB 3.24Å; E284-K288 WeakPolarHBondContact O-CB 3.22Å; E284-K288 VanDerWaalsContact O-CG 3.23Å; E284-K288 WeakPolarHBondContact O-CG 3.47Å; E284-K288 PolarHBondContact O-N 3.11Å; E284-K288 WeakPolarHBondContact OE1-CE 3.48Å; E284-K288 IonicContact OE1-NZ 2.73Å; E284-K288 PolarHBondContact OE1-NZ 3.16Å; W286-K288 PolarHBondContact O-N 2.82Å; K288-N292 WeakPolarHBondContact O-CB 3.42Å; K288-N292 PolarHBondContact O-N 2.93Å; K288-N292 VanDerWaalsContact O-N 3.09Å; K288-N292 PolarHBondContact O-ND2 3.26Å
289Q88Confident84.3Confident115 Ų11590.1 Ų90.154%0.53744%0.44SS..Hα-helixtrans-64.7-43.6174.2-73.8170.126.600111.8Q285 W286 V287 N292 R293Q285-Q289 WeakPolarHBondContact O-CB 3.44Å; Q285-Q289 WeakPolarHBondContact O-CG 3.24Å; Q285-Q289 PolarHBondContact O-N 2.98Å; W286-Q289 WeakPolarHBondContact O-CB 3.23Å; W286-Q289 PolarHBondContact O-N 3.17Å; V287-Q289 VanDerWaalsContact C-N 3.3Å; V287-Q289 PolarHBondContact O-N 3.38Å; Q289-N292 PolarHBondContact O-N 3.5Å; Q289-R293 PolarHBondContact O-N 3.21Å
290E85.4Confident84.2Confident73 Ų7388.9 Ų88.934%0.34144%0.443SS..Hα-helixtrans-75.6-34.9-176.9-156.655.4-144.700112.8W286 V287 R293 T294W286-E290 PolarHBondContact O-N 3.29Å; V287-E290 PolarHBondContact O-N 3.09Å; E290-R293 WeakPolarHBondContact O-CB 3.33Å; E290-R293 PolarHBondContact O-N 3.1Å; E290-R293 VanDerWaalsContact OE2-CD 3.3Å; E290-R293 WeakPolarHBondContact OE2-CD 3.43Å; E290-R293 IonicContact OE2-NH1 2.6Å; E290-R293 PolarHBondContact OE2-NH1 3.15Å; E290-T294 WeakPolarHBondContact O-CB 3.27Å; E290-T294 PolarHBondContact O-N 3.45Å; E290-T294 PolarHBondContact O-OG1 3.29Å
291L86.3Confident84Confident85 Ų8590.7 Ų90.745%0.44546%0.46SS..Hα-helixtrans-60.5-45.3168.1-101.9163.6000111.5W232 V287 R293 T294 L295W232-L291 HydrophobicContact CH2-CD1 4.26Å; W232-L291 HydrophobicContact CZ3-CD1 3.78Å; V287-L291 HydrophobicContact CG1-CD1 4.04Å; V287-L291 WeakPolarHBondContact O-CB 3.42Å; V287-L291 PolarHBondContact O-N 3.1Å; L291-R293 PolarHBondContact O-N 2.97Å; L291-T294 PolarHBondContact O-N 3.43Å; L291-L295 VanDerWaalsContact O-CB 3.3Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 PolarHBondContact O-N 3.02Å
292N85.6Confident83.9Confident92 Ų9290.2 Ų90.249%0.49246%0.46SS..Hα-helixtrans-63.6-40.5176.7-75.7-28.4000111.8K288 Q289 N296K288-N292 WeakPolarHBondContact O-CB 3.42Å; K288-N292 PolarHBondContact O-N 2.93Å; K288-N292 VanDerWaalsContact O-N 3.09Å; K288-N292 PolarHBondContact O-ND2 3.26Å; Q289-N292 PolarHBondContact O-N 3.5Å; N292-N296 WeakPolarHBondContact O-CB 3.32Å; N292-N296 PolarHBondContact O-N 2.94Å; N292-N296 PolarHBondContact O-ND2 2.83Å
293R86.8Confident83.5Confident159 Ų15985.4 Ų85.460%0.645%0.453SS*.Hα-helixtrans-60-46.8171.8-83.5176.3163.9166.1-2.6112.7Q289 E290 L291 N296 T297Q289-R293 PolarHBondContact O-N 3.21Å; E290-R293 WeakPolarHBondContact O-CB 3.33Å; E290-R293 PolarHBondContact O-N 3.1Å; E290-R293 VanDerWaalsContact OE2-CD 3.3Å; E290-R293 WeakPolarHBondContact OE2-CD 3.43Å; E290-R293 IonicContact OE2-NH1 2.6Å; E290-R293 PolarHBondContact OE2-NH1 3.15Å; L291-R293 PolarHBondContact O-N 2.97Å; R293-N296 PolarHBondContact O-N 3.28Å; R293-T297 WeakPolarHBondContact O-CB 3.18Å; R293-T297 PolarHBondContact O-N 2.87Å; R293-T297 PolarHBondContact O-OG1 3.3Å
294T82.5Confident82.9Confident76 Ų7689.4 Ų89.447%0.46647%0.47SS..Hα-helixtrans-64.7-45.1-179.8-54.40000110.7E290 L291 N296 T297 V298E290-T294 WeakPolarHBondContact O-CB 3.27Å; E290-T294 PolarHBondContact O-N 3.45Å; E290-T294 PolarHBondContact O-OG1 3.29Å; L291-T294 PolarHBondContact O-N 3.43Å; T294-N296 PolarHBondContact O-N 2.85Å; T294-T297 PolarHBondContact O-N 3.05Å; T294-V298 WeakPolarHBondContact O-CG2 3.38Å; T294-V298 PolarHBondContact O-N 3.19Å
295L85.1Confident81.9Confident91 Ų9193.8 Ų93.848%0.47649%0.49SS..Hα-helixtrans-58.8-48.3175.9-170.880000111.6L291 T297 V298 Q299L291-L295 VanDerWaalsContact O-CB 3.3Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 PolarHBondContact O-N 3.02Å; L295-T297 VanDerWaalsContact C-N 3.32Å; L295-T297 PolarHBondContact O-N 3.19Å; L295-V298 PolarHBondContact O-N 2.93Å; L295-Q299 WeakPolarHBondContact O-CB 3.31Å; L295-Q299 VanDerWaalsContact O-CG 3.31Å; L295-Q299 WeakPolarHBondContact O-CG 3.36Å; L295-Q299 PolarHBondContact O-N 3.43Å
296N83.9Confident80.6Confident95 Ų9595.8 Ų95.851%0.50850%0.501SS..Hα-helixtrans-62.5-39.1178.6-69.5-16.8000111.7N292 R293 T294 Q299 A300N292-N296 WeakPolarHBondContact O-CB 3.32Å; N292-N296 PolarHBondContact O-N 2.94Å; N292-N296 PolarHBondContact O-ND2 2.83Å; R293-N296 PolarHBondContact O-N 3.28Å; T294-N296 PolarHBondContact O-N 2.85Å; N296-Q299 PolarHBondContact O-N 3.21Å; N296-A300 WeakPolarHBondContact O-CB 3.16Å; N296-A300 PolarHBondContact O-N 3.48Å
297T83.9Confident79.2Confident95 Ų9595.8 Ų95.858%0.58351%0.507SS*.Hα-helixtrans-66.1-43.3176.4-52.50000111.6R293 T294 L295 A300 A301R293-T297 WeakPolarHBondContact O-CB 3.18Å; R293-T297 PolarHBondContact O-N 2.87Å; R293-T297 PolarHBondContact O-OG1 3.3Å; T294-T297 PolarHBondContact O-N 3.05Å; L295-T297 VanDerWaalsContact C-N 3.32Å; L295-T297 PolarHBondContact O-N 3.19Å; T297-A300 PolarHBondContact O-N 2.66Å; T297-A301 WeakPolarHBondContact O-CB 3.46Å; T297-A301 PolarHBondContact O-N 3.42Å
298V82.6Confident77.8Confident92 Ų92102.4 Ų102.456%0.55853%0.533SS*.Hα-helixtrans-67-38.9176.3172.40000111.5T294 L295 A301 S302T294-V298 WeakPolarHBondContact O-CG2 3.38Å; T294-V298 PolarHBondContact O-N 3.19Å; L295-V298 PolarHBondContact O-N 2.93Å; V298-A301 PolarHBondContact O-N 3.06Å; V298-S302 VanDerWaalsContact O-CB 3.29Å; V298-S302 WeakPolarHBondContact O-CB 3.37Å; V298-S302 PolarHBondContact O-N 3.25Å
299Q82.9Confident75.9Confident111 Ų111106 Ų10652%0.51955%0.549SS..Hα-helixtrans-64.5-42.6174.1-74.8178.44.800111.9L295 N296 S302 A303L295-Q299 WeakPolarHBondContact O-CB 3.31Å; L295-Q299 VanDerWaalsContact O-CG 3.31Å; L295-Q299 WeakPolarHBondContact O-CG 3.36Å; L295-Q299 PolarHBondContact O-N 3.43Å; N296-Q299 PolarHBondContact O-N 3.21Å; Q299-S302 PolarHBondContact O-N 3.24Å; Q299-A303 WeakPolarHBondContact O-CB 3.37Å; Q299-A303 PolarHBondContact O-N 3.32Å
300A80.4Confident74Confident51 Ų51104.4 Ų104.442%0.42155%0.551SS.*Hα-helixtrans-61.4-49.4174.300000111.5N296 T297 S302 A303 E304N296-A300 WeakPolarHBondContact O-CB 3.16Å; N296-A300 PolarHBondContact O-N 3.48Å; T297-A300 PolarHBondContact O-N 2.66Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 3.36Å; A300-A303 PolarHBondContact O-N 3.08Å; A300-A303 VanDerWaalsContact O-N 3.14Å; A300-E304 PolarHBondContact O-N 3.44Å
301A79.5Confident72.1Confident54 Ų54107.7 Ų107.745%0.44657%0.57SS.*Hα-helixtrans-60.3-39.5176.600000112.4T297 V298 H305T297-A301 WeakPolarHBondContact O-CB 3.46Å; T297-A301 PolarHBondContact O-N 3.42Å; V298-A301 PolarHBondContact O-N 3.06Å; A301-H305 WeakPolarHBondContact O-CB 3.47Å; A301-H305 PolarHBondContact O-N 2.83Å
302S75.7Confident70.2Confident74 Ų74106.9 Ų106.952%0.51758%0.583SS.*Hα-helixtrans-67.3-38.1175.4-171.40000112.2V298 Q299 A300 H305 M306V298-S302 VanDerWaalsContact O-CB 3.29Å; V298-S302 WeakPolarHBondContact O-CB 3.37Å; V298-S302 PolarHBondContact O-N 3.25Å; Q299-S302 PolarHBondContact O-N 3.24Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 3.36Å; S302-H305 PolarHBondContact O-N 3.34Å; S302-M306 PolarHBondContact O-N 3.34Å
303A73.9Confident68.3Low54 Ų54106.2 Ų106.245%0.44659%0.59SS.*Hα-helixtrans-67.8-42.2176.500000111.8Q299 A300 H305 M306 Q307Q299-A303 WeakPolarHBondContact O-CB 3.37Å; Q299-A303 PolarHBondContact O-N 3.32Å; A300-A303 PolarHBondContact O-N 3.08Å; A300-A303 VanDerWaalsContact O-N 3.14Å; A303-H305 VanDerWaalsContact C-N 3.33Å; A303-H305 PolarHBondContact O-N 2.85Å; A303-M306 WeakPolarHBondContact O-CB 3.24Å; A303-M306 PolarHBondContact O-N 2.96Å; A303-Q307 PolarHBondContact O-N 3.11Å
304E72.1Confident66.1Low134 Ų134104.9 Ų104.963%0.62660%0.599SS**Hα-helixtrans-60.2-42.6171.6-73.3-173.4172.800111.5A300 M306 Q307 K308A300-E304 PolarHBondContact O-N 3.44Å; E304-M306 VanDerWaalsContact C-N 3.29Å; E304-M306 PolarHBondContact O-N 2.98Å; E304-Q307 PolarHBondContact O-N 3.04Å; E304-K308 VanDerWaalsContact O-CB 3.31Å; E304-K308 WeakPolarHBondContact O-CB 3.27Å; E304-K308 PolarHBondContact O-N 3.15Å
305H61Low64.2Low145 Ų145106 Ų10667%0.67162%0.616SS**Hα-helixtrans-65.2-32.6176.8-134.9-81.9000112.5A301 S302 A303 K309A301-H305 WeakPolarHBondContact O-CB 3.47Å; A301-H305 PolarHBondContact O-N 2.83Å; S302-H305 PolarHBondContact O-N 3.34Å; A303-H305 VanDerWaalsContact C-N 3.33Å; A303-H305 PolarHBondContact O-N 2.85Å; H305-K309 WeakPolarHBondContact O-CB 3.21Å; H305-K309 PolarHBondContact O-N 2.81Å
306M58.6Low61.9Low150 Ų150109 Ų10974%0.73963%0.633SS**Hα-helixtrans-69.8-45.9173.1-124-178.3-171.600111.9S302 A303 E304 K308 K309 S310S302-M306 PolarHBondContact O-N 3.34Å; A303-M306 WeakPolarHBondContact O-CB 3.24Å; A303-M306 PolarHBondContact O-N 2.96Å; E304-M306 VanDerWaalsContact C-N 3.29Å; E304-M306 PolarHBondContact O-N 2.98Å; M306-K308 PolarHBondContact O-N 3.03Å; M306-K309 PolarHBondContact O-N 3.36Å; M306-S310 PolarHBondContact O-N 3.32Å
307Q56.9Low59.5Low132 Ų132111.7 Ų111.762%0.61765%0.647SS**Hα-helixtrans-62.2-42.7175.5-79.2-172.6-22.400112.1A303 E304 K309 S310 N311A303-Q307 PolarHBondContact O-N 3.11Å; E304-Q307 PolarHBondContact O-N 3.04Å; Q307-K309 VanDerWaalsContact C-N 3.26Å; Q307-K309 PolarHBondContact O-N 3.37Å; Q307-S310 PolarHBondContact O-N 3.23Å; Q307-S310 VanDerWaalsContact O-N 3.14Å; Q307-N311 PolarHBondContact O-N 3.41Å
308K56.5Low57.3Low172 Ų172109.4 Ų109.475%0.74864%0.642SS**Hα-helixtrans-65.5-29.7179-156.4170.6-171.3174.80112.4E304 M306E304-K308 VanDerWaalsContact O-CB 3.31Å; E304-K308 WeakPolarHBondContact O-CB 3.27Å; E304-K308 PolarHBondContact O-N 3.15Å; M306-K308 PolarHBondContact O-N 3.03Å
309K47.1Very low55Low175 Ų175111.3 Ų111.376%0.76165%0.654SS**Hα-helixtrans-77.2-33.7172.2-161.9173.6-175.5179.60112.7H305 M306 Q307H305-K309 WeakPolarHBondContact O-CB 3.21Å; H305-K309 PolarHBondContact O-N 2.81Å; M306-K309 PolarHBondContact O-N 3.36Å; Q307-K309 VanDerWaalsContact C-N 3.26Å; Q307-K309 PolarHBondContact O-N 3.37Å
310S47.6Very low52.6Low83 Ų83116 Ų11658%0.5867%0.673SS**Hα-helixtrans-69.5-40174.6-165.60000112.7M306 Q307 G312 A313M306-S310 PolarHBondContact O-N 3.32Å; Q307-S310 PolarHBondContact O-N 3.23Å; Q307-S310 VanDerWaalsContact O-N 3.14Å; S310-G312 PolarHBondContact O-N 3.11Å; S310-A313 PolarHBondContact O-N 3.5Å
311N46.3Very low50.2Low142 Ų142123.3 Ų123.376%0.75970%0.695SS**THydrogen-bonded Turntrans-74.5-9.4-179.4-70-2.6000113.7Q307Q307-N311 PolarHBondContact O-N 3.41Å
312G45.7Very low49Very low68 Ų68126.5 Ų126.570%0.70171%0.711SS**THydrogen-bonded Turntrans-90.6-0.6175.600000114.8S310S310-G312 PolarHBondContact O-N 3.11Å
313A46.2Very low46.7Very low78 Ų78127.6 Ų127.665%0.64573%0.725SS**SBendtrans-145.142.7-167.100000115.2S310S310-A313 PolarHBondContact O-N 3.5Å
314V40.3Very low44.6Very low131 Ų131133.3 Ų133.379%0.79475%0.748SS**  trans-144.5110.7146.9179.90000108.9
315A42.4Very low42.7Very low100 Ų100129.7 Ų129.783%0.82675%0.747SS**  trans-116.1140.814600000106.8
316D37Very low41.2Very low154 Ų154134.4 Ų134.482%0.82476%0.759SS**  trans92144.2173.3-146.417.6000119.6
317D33.7Very low39.8Very low151 Ų151137.1 Ų137.181%0.80777%0.766SS**  trans61.4115.6172.7-146.524.3000123.1
318G37.8Very low38.7Very low46 Ų46138.9 Ų138.947%0.47478%0.779SS.*  94.879104.600000122
319T34.4Very low37.5Very low132 Ų132138.6 Ų138.681%0.8178%0.78SS**  trans53.6112.2142.6580000121.5
320K31.8Very low36.7Very low209 Ų209136.2 Ų136.291%0.90978%0.782SS**  174.1163111.5-94.7163.9-174.3171.60113.4
321K30.1Very low35.7Very low206 Ų206138.7 Ų138.790%0.89680%0.795SS**  trans-94.9173.1-177.8-105.4-167.8176.4-179.90112.1
322P54.6Low34.7Very low121 Ų121137.5 Ų137.579%0.78680%0.797SS**  trans-98.5160.8-13938.7-39000116.1
323A27.5Very low34Very low97 Ų97138.6 Ų138.680%0.80280%0.8SS**  trans-157.1118.9156.200000112.5
324D28.9Very low33.2Very low173 Ų173142.9 Ų142.993%0.92581%0.811SS**  trans50.6151.8134.2-138.5-8.9000124.3
325G32.6Very low32.7Very low59 Ų59146 Ų14661%0.60882%0.817SS**  trans101.853.9139.700000121.9
326R28.7Very low32.2Very low244 Ų244152.3 Ų152.392%0.92182%0.819SS**  161.2107129.4-92173169.4161.9-2.1113.6L328R326-L328 PolarHBondContact O-N 3.02Å
327K30Very low31.7Very low207 Ų207147.5 Ų147.590%0.981%0.806SS**  trans-80.7102162.8-135.8179-173.1-178.30108.2Q329K327-Q329 PolarHBondContact O-N 3.36Å; K327-Q329 VanDerWaalsContact O-N 3.13Å
328L33.5Very low31.5Very low168 Ų168146.2 Ų146.288%0.8881%0.809SS**  trans-68.5105.2165.3-86.2157.6000107.8R326R326-L328 PolarHBondContact O-N 3.02Å
329Q31.2Very low30.9Very low167 Ų167149.1 Ų149.178%0.7882%0.822SS**PPolyproline II helixtrans-68.1135.1166.8-63.2-178.66.400108K327 T331K327-Q329 PolarHBondContact O-N 3.36Å; K327-Q329 VanDerWaalsContact O-N 3.13Å; Q329-T331 PolarHBondContact O-N 2.95Å
330P30.7Very low30.7Very low124 Ų124147.8 Ų147.881%0.80582%0.818SS**PPolyproline II helixtrans-63.6124.8161.628.5-30.5000107S332P330-S332 PolarHBondContact O-N 3.43Å
331T26.6Very low30.7Very low136 Ų136141.7 Ų141.783%0.83481%0.807SS**PPolyproline II helixtrans-52.1123.6172.937.90000109.5Q329 A333Q329-T331 PolarHBondContact O-N 2.95Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 2.92Å
332S25.2Very low30.7Very low116 Ų116137.1 Ų137.181%0.81180%0.801SS**  trans-60.496.9165.736.90000108.4P330 L334P330-S332 PolarHBondContact O-N 3.43Å; S332-L334 PolarHBondContact O-N 3.31Å; S332-L334 VanDerWaalsContact O-N 3.12Å
333A30Very low29.5Very low92 Ų92134.3 Ų134.376%0.7678%0.779SS**  trans-55.4120.616900000107.4T331 Q335T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 2.92Å; A333-Q335 PolarHBondContact O-N 3.02Å; A333-Q335 VanDerWaalsContact O-N 3.09Å
334L30.3Very low29.5Very low168 Ų168137.4 Ų137.488%0.8878%0.776SS**  trans-44.9118.2-177-86143.8000110.4S332 R336S332-L334 PolarHBondContact O-N 3.31Å; S332-L334 VanDerWaalsContact O-N 3.12Å; L334-R336 PolarHBondContact O-N 3.39Å
335Q30.3Very low29.8Very low195 Ų195134.4 Ų134.491%0.91176%0.76SS**  trans-72.165.1172.4-167.9169.8-7.100108.6A333 G337A333-Q335 PolarHBondContact O-N 3.02Å; A333-Q335 VanDerWaalsContact O-N 3.09Å; Q335-G337 PolarHBondContact O-N 3.05Å
336R31.3Very low29.9Very low233 Ų233134.5 Ų134.588%0.87975%0.752SS**  trans-63.3118.9172.3-179.4172.3-83.3-174.3-7.3106.2L334L334-R336 PolarHBondContact O-N 3.39Å
337G26.2Very low30.2Very low54 Ų54126.5 Ų126.556%0.55773%0.725SS**  trans-54.9143.6-163.700000113.3Q335 S339Q335-G337 PolarHBondContact O-N 3.05Å; G337-S339 PolarHBondContact O-N 3.4Å
338S30.6Very low30.9Very low123 Ų123120.9 Ų120.986%0.8670%0.703SS**  trans-61.976153.7168.10000108.7S340S338-S340 PolarHBondContact O-N 3.09Å
339S25.5Very low31.6Very low108 Ų108116.3 Ų116.376%0.75567%0.674SS**  trans-84.7100.1162.5-670000107.2G337 A341G337-S339 PolarHBondContact O-N 3.4Å; S339-A341 PolarHBondContact O-N 2.92Å; S339-A341 VanDerWaalsContact O-N 3.11Å
340S29.9Very low32.1Very low104 Ų104110.1 Ų110.173%0.72765%0.649SS**  trans-52115.2150.4-58.30000106.4S338 S342S338-S340 PolarHBondContact O-N 3.09Å; S340-S342 VanDerWaalsContact C-N 3.26Å; S340-S342 PolarHBondContact O-N 2.79Å
341A30.3Very low32.9Very low80 Ų80105.7 Ų105.766%0.66162%0.62SS**  trans-70.491.6171.900000107.1S339 L343S339-A341 PolarHBondContact O-N 2.92Å; S339-A341 VanDerWaalsContact O-N 3.11Å; A341-L343 PolarHBondContact O-N 2.97Å
342S30.5Very low33.6Very low110 Ų110100.3 Ų100.377%0.76959%0.586SS**  trans-69.182.4166.357.20000107.4S340 H344S340-S342 VanDerWaalsContact C-N 3.26Å; S340-S342 PolarHBondContact O-N 2.79Å; S342-H344 PolarHBondContact O-N 3.21Å
343L30.9Very low34.2Very low62 Ų6296.8 Ų96.833%0.32556%0.556SS.*  trans-92.4100-172.1-131.5169.3000108.1A341 N345A341-L343 PolarHBondContact O-N 2.97Å; L343-N345 PolarHBondContact O-N 2.95Å
344H26.3Very low34.6Very low162 Ų16295.7 Ų95.775%0.7554%0.535SS*.  trans-44.5128.3176.9-131.8-110.4000110.4S342 S346S342-H344 PolarHBondContact O-N 3.21Å; H344-S346 PolarHBondContact O-N 3.2Å
345N35.9Very low35.1Very low111 Ų11190 Ų9059%0.59451%0.505SS*.THydrogen-bonded Turntrans-71.957.7-166.9-172.55.4000114L343L343-N345 PolarHBondContact O-N 2.95Å
346S33.8Very low35.2Very low61 Ų6183.3 Ų83.343%0.42747%0.474SS..THydrogen-bonded Turntrans-142.1-5.5-177.960.30000116.2H344H344-S346 PolarHBondContact O-N 3.2Å
347Q36.2Very low35.8Very low75 Ų7574.6 Ų74.635%0.3545%0.445SS..SBendtrans-109.416.6-171.7-95.6175.7-29.900116D455 K561Q347-D455 HydrophobicContact CG-CB 4.38Å; Q347-D455 VanDerWaalsContact NE2-CG 3.29Å; Q347-D455 PolarHBondContact NE2-OD2 3.03Å; Q347-K561 PolarHBondContact O-NZ 3.21Å
348M43.6Very low36.3Very low90 Ų9080.1 Ų80.144%0.44345%0.45SS..  trans-130.650.7-174.5-67.7-158.2-73.600115V558 L563 M566M348-V558 HydrophobicContact SD-CG2 4.43Å; M348-L563 HydrophobicContact SD-CD1 4.48Å; M348-M566 HydrophobicContact CE-CE 3.58Å; M348-M566 HydrophobicContact CE-SD 3.68Å; M348-M566 HydrophobicContact SD-CE 3.83Å; M348-M566 HydrophobicContact SD-SD 3.59Å
349R48Very low36.6Very low71 Ų7179 Ų7927%0.26844%0.438SS..  trans-138.279.1169.9-69.2-172.6-176.8143.34.9113.1T351 N458 D459R349-T351 PolarHBondContact O-N 3.43Å; R349-N458 PolarHBondContact O-OD1 2.93Å; R349-D459 IonicContact CZ-OD1 3.22Å; R349-D459 IonicContact NH1-OD1 2.76Å; R349-D459 PolarHBondContact NH1-OD1 2.86Å
350S41.5Very low37.1Very low38 Ų3878.7 Ų78.727%0.26643%0.428SS..  trans-84101.3159.8-62.20000108.5
351T49Very low37.3Very low31 Ų3176.9 Ų76.919%0.1941%0.41CS..  trans-68.6144.7-174.655.60000112.3E152 R349 F353 Q354 L355E152-T351 WeakPolarHBondContact OE1-CB 3.43Å; E152-T351 WeakPolarHBondContact OE1-CG2 3.35Å; R349-T351 PolarHBondContact O-N 3.43Å; T351-F353 PolarHBondContact O-N 3.47Å; T351-F353 VanDerWaalsContact O-N 3.17Å; T351-Q354 WeakPolarHBondContact O-CB 3.25Å; T351-Q354 PolarHBondContact O-N 3.01Å; T351-L355 PolarHBondContact O-N 3.49Å; T351-L355 VanDerWaalsContact O-N 3.08Å
352I39.5Very low37.6Very low22 Ų2277.9 Ų77.911%0.11341%0.41CS..Hα-helixtrans-57.9-32178.1-72174.5000111.7A147 D151 Q354 L355 M356 P550 I553A147-I352 HydrophobicContact CB-CD1 3.84Å; D151-I352 WeakPolarHBondContact OD2-CD1 3.38Å; D151-I352 WeakPolarHBondContact OD2-CG1 3.44Å; I352-Q354 VanDerWaalsContact C-N 3.32Å; I352-Q354 PolarHBondContact O-N 3.41Å; I352-L355 PolarHBondContact O-N 2.92Å; I352-M356 PolarHBondContact O-N 3.33Å; I352-P550 HydrophobicContact CD1-CB 3.72Å; I352-P550 HydrophobicContact CD1-CG 3.99Å; I352-I553 HydrophobicContact CG1-CD1 4.46Å; I352-I553 HydrophobicContact CG1-CG2 4.49Å
353F37.8Very low37.7Very low42 Ų4277.9 Ų77.918%0.18440%0.4CS..Hα-helixtrans-61-38.9175-138.6-79.8000112.5I148 T351 I357 I475 L479 V483I148-F353 HydrophobicContact CD1-CD2 4.24Å; I148-F353 HydrophobicContact CD1-CE2 4.21Å; I148-F353 HydrophobicContact CG1-CD2 4.5Å; T351-F353 PolarHBondContact O-N 3.47Å; T351-F353 VanDerWaalsContact O-N 3.17Å; F353-I357 HydrophobicContact CD1-CD1 4.49Å; F353-I357 WeakPolarHBondContact O-CG1 3.43Å; F353-I475 HydrophobicContact CE1-CG2 4.45Å; F353-L479 HydrophobicContact CD2-CD1 4.14Å; F353-L479 HydrophobicContact CE1-CD1 4.23Å; F353-L479 HydrophobicContact CE2-CB 4.36Å; F353-L479 HydrophobicContact CE2-CD1 3.39Å; F353-L479 HydrophobicContact CE2-CG 4.5Å; F353-L479 HydrophobicContact CZ-CB 4.3Å; F353-L479 HydrophobicContact CZ-CD1 3.45Å; F353-L479 VanDerWaalsContact CZ-CD1 3.45Å; F353-V483 HydrophobicContact CE2-CG2 4.28Å
354Q39.9Very low38Very low70 Ų7076.5 Ų76.533%0.32740%0.398SS..Hα-helixtrans-72-39.4175-149.8-177.432.100110.3T351 I352 M356 I357 Y358 E457T351-Q354 WeakPolarHBondContact O-CB 3.25Å; T351-Q354 PolarHBondContact O-N 3.01Å; I352-Q354 VanDerWaalsContact C-N 3.32Å; I352-Q354 PolarHBondContact O-N 3.41Å; Q354-M356 PolarHBondContact O-N 2.94Å; Q354-I357 CarbonylContact O-C 3.54Å; Q354-I357 WeakPolarHBondContact O-CB 3.35Å; Q354-I357 PolarHBondContact O-N 3.35Å; Q354-I357 VanDerWaalsContact O-N 3.11Å; Q354-Y358 WeakPolarHBondContact O-CB 3.35Å; Q354-Y358 PolarHBondContact O-N 3.04Å; Q354-E457 PolarHBondContact NE2-OE2 2.82Å
355L40.2Very low38.5Very low47 Ų4776.5 Ų76.525%0.24640%0.398CS..Hα-helixtrans-66.1-37.3179.3-140.6113.6000113.1T351 I352 I357 Y358 T359 I553 I557T351-L355 PolarHBondContact O-N 3.49Å; T351-L355 VanDerWaalsContact O-N 3.08Å; I352-L355 PolarHBondContact O-N 2.92Å; L355-I357 PolarHBondContact O-N 2.9Å; L355-Y358 PolarHBondContact O-N 2.98Å; L355-T359 HydrophobicContact CD2-CG2 4.03Å; L355-T359 HydrophobicContact CG-CG2 4.45Å; L355-T359 WeakPolarHBondContact O-CB 3.47Å; L355-T359 WeakPolarHBondContact O-CG2 3.44Å; L355-T359 PolarHBondContact O-N 3.49Å; L355-T359 PolarHBondContact O-OG1 3.26Å; L355-I553 HydrophobicContact CD1-CG2 3.74Å; L355-I553 HydrophobicContact CD2-CD1 4.24Å; L355-I553 HydrophobicContact CD2-CG1 4.2Å; L355-I553 HydrophobicContact CD2-CG2 3.76Å; L355-I553 HydrophobicContact CG-CG2 4.25Å; L355-I557 HydrophobicContact CD1-CD1 3.49Å; L355-I557 VanDerWaalsContact CD1-CD1 3.49Å; L355-I557 HydrophobicContact CD1-CG1 4.26Å
356M32.9Very low38.5Very low55 Ų5573.5 Ų73.527%0.27139%0.389SS..Hα-helixtrans-67.5-22.4174.3-155.5179.57400112.4I352 Q354 L360 I475 L479I352-M356 PolarHBondContact O-N 3.33Å; Q354-M356 PolarHBondContact O-N 2.94Å; M356-L360 WeakPolarHBondContact O-CD1 3.31Å; M356-I475 HydrophobicContact CE-CG1 4.4Å; M356-I475 HydrophobicContact CE-CG2 3.45Å; M356-I475 VanDerWaalsContact CE-CG2 3.45Å; M356-L479 HydrophobicContact CE-CD1 3.84Å
357I43Very low38.7Very low50 Ų5077.4 Ų77.426%0.25640%0.398SS..Hα-helixtrans-83.6-41.9171-67.5169.7000110.8F353 Q354 L355 L360 K472 I475F353-I357 HydrophobicContact CD1-CD1 4.49Å; F353-I357 WeakPolarHBondContact O-CG1 3.43Å; Q354-I357 CarbonylContact O-C 3.54Å; Q354-I357 WeakPolarHBondContact O-CB 3.35Å; Q354-I357 PolarHBondContact O-N 3.35Å; Q354-I357 VanDerWaalsContact O-N 3.11Å; L355-I357 PolarHBondContact O-N 2.9Å; I357-L360 PolarHBondContact O-N 3.24Å; I357-K472 HydrophobicContact CD1-CD 4.47Å; I357-K472 HydrophobicContact CD1-CG 4.28Å; I357-I475 HydrophobicContact CG1-CD1 4.27Å
358Y37.3Very low38.6Very low171 Ų17180.9 Ų80.967%0.67141%0.413SS*.Hα-helixtrans-72.7-35.6-176.2-129.6-83.3000113.4Q354 L355 L360 D361 A364Q354-Y358 WeakPolarHBondContact O-CB 3.35Å; Q354-Y358 PolarHBondContact O-N 3.04Å; L355-Y358 PolarHBondContact O-N 2.98Å; Y358-L360 PolarHBondContact O-N 2.99Å; Y358-D361 PolarHBondContact O-N 3.39Å; Y358-A364 HydrophobicContact CE1-CB 4.47Å
359T37.1Very low38.4Very low99 Ų9983.1 Ų83.161%0.60742%0.42SS*.THydrogen-bonded Turntrans-71.4-17.7175.6510000113.3L355L355-T359 HydrophobicContact CD2-CG2 4.03Å; L355-T359 HydrophobicContact CG-CG2 4.45Å; L355-T359 WeakPolarHBondContact O-CB 3.47Å; L355-T359 WeakPolarHBondContact O-CG2 3.44Å; L355-T359 PolarHBondContact O-N 3.49Å; L355-T359 PolarHBondContact O-OG1 3.26Å
360L36.4Very low38.3Very low102 Ų10284.4 Ų84.453%0.53443%0.432SS..THydrogen-bonded Turntrans-99.410.7178.3-74.3178.1000114.3M356 I357 Y358 K471M356-L360 WeakPolarHBondContact O-CD1 3.31Å; I357-L360 PolarHBondContact O-N 3.24Å; Y358-L360 PolarHBondContact O-N 2.99Å; L360-K471 PolarHBondContact O-NZ 3.41Å; L360-K471 VanDerWaalsContact O-NZ 3.07Å
361D33.3Very low38.4Very low66 Ų6689.9 Ų89.935%0.35345%0.451SS..  trans-126.176.8177.2-142.544.7000113.9Y358 L363 A364 K471Y358-D361 PolarHBondContact O-N 3.39Å; D361-L363 PolarHBondContact O-N 3.48Å; D361-A364 PolarHBondContact O-N 2.86Å; D361-A364 VanDerWaalsContact O-N 3.11Å; D361-K471 IonicContact OD1-NZ 3.87Å; D361-K471 PolarHBondContact OD1-NZ 3.01Å
362P36.3Very low38.5Very low101 Ų10191.7 Ų91.766%0.65646%0.462SS*.THydrogen-bonded Turntrans-61.8-2.7172.727-35.8000114
363L32Very low38.9Very low109 Ų10994.2 Ų94.257%0.57148%0.475SS*.Hα-helixtrans-75.9-24173.2-119.374.6000113.6D361 K367D361-L363 PolarHBondContact O-N 3.48Å; L363-K367 PolarHBondContact O-N 3.32Å; L363-K367 VanDerWaalsContact O-N 3.14Å
364A37.9Very low40Very low34 Ų3497.2 Ų97.228%0.28149%0.492SS..Hα-helixtrans-67.5-40.5178.500000111.5Y358 D361 K367 F368Y358-A364 HydrophobicContact CE1-CB 4.47Å; D361-A364 PolarHBondContact O-N 2.86Å; D361-A364 VanDerWaalsContact O-N 3.11Å; A364-K367 PolarHBondContact O-N 3.14Å; A364-F368 WeakPolarHBondContact O-CB 3.13Å; A364-F368 PolarHBondContact O-N 2.84Å
365E38.1Very low40.4Very low161 Ų16199.5 Ų99.575%0.75251%0.506SS*.Hα-helixtrans-68.6-34.7179.7-151.4165.3-139.400111.8K369E365-K369 WeakPolarHBondContact O-CB 3.5Å; E365-K369 PolarHBondContact O-N 3.35Å
366A35.5Very low40.9Very low49 Ų4999.8 Ų99.841%0.40551%0.512SS..Hα-helixtrans-63.8-49.617100000112.2F368 K369 D370A366-F368 VanDerWaalsContact C-N 3.31Å; A366-F368 PolarHBondContact O-N 2.64Å; A366-K369 PolarHBondContact O-N 2.84Å; A366-D370 PolarHBondContact O-N 2.87Å
367K36.4Very low41.9Very low143 Ų143102 Ų10262%0.62253%0.525SS*.Hα-helixtrans-63.2-34.8177.1-78.2-177174.9179.80113.3L363 A364 K371L363-K367 PolarHBondContact O-N 3.32Å; L363-K367 VanDerWaalsContact O-N 3.14Å; A364-K367 PolarHBondContact O-N 3.14Å; K367-K371 PolarHBondContact O-N 2.94Å
368F35.9Very low42.6Very low148 Ų148104.9 Ų104.965%0.64954%0.54SS*.Hα-helixtrans-66-43.9174.8-169.6-95.2000110.8A364 A366 K371 V372A364-F368 WeakPolarHBondContact O-CB 3.13Å; A364-F368 PolarHBondContact O-N 2.84Å; A366-F368 VanDerWaalsContact C-N 3.31Å; A366-F368 PolarHBondContact O-N 2.64Å; F368-K371 PolarHBondContact O-N 3.27Å; F368-V372 HydrophobicContact CD1-CG2 4.1Å; F368-V372 HydrophobicContact CE1-CG2 3.8Å; F368-V372 HydrophobicContact CZ-CG2 4.21Å; F368-V372 WeakPolarHBondContact O-CG2 3.28Å; F368-V372 PolarHBondContact O-N 3Å
369K38.7Very low43.2Very low136 Ų13699.3 Ų99.359%0.59153%0.53SS*.Hα-helixtrans-63.2-45.2176.2-164.9175.1-178-177.80112.3E365 A366 K371 V372 D373E365-K369 WeakPolarHBondContact O-CB 3.5Å; E365-K369 PolarHBondContact O-N 3.35Å; A366-K369 PolarHBondContact O-N 2.84Å; K369-K371 PolarHBondContact O-N 3.48Å; K369-V372 PolarHBondContact O-N 3.24Å; K369-D373 WeakPolarHBondContact O-CB 3.45Å; K369-D373 PolarHBondContact O-N 3.17Å
370D45.1Very low43.9Very low98 Ų98101.4 Ų101.452%0.52453%0.53SS..Hα-helixtrans-59.4-43.7175.6-69.8-24.5000111.8A366 D373 I374A366-D370 PolarHBondContact O-N 2.87Å; D370-D373 PolarHBondContact O-N 2.97Å; D370-I374 WeakPolarHBondContact O-CB 3.42Å; D370-I374 WeakPolarHBondContact O-CD1 3.5Å; D370-I374 WeakPolarHBondContact O-CG1 3.38Å; D370-I374 PolarHBondContact O-N 3.48Å
371K43.5Very low44.8Very low154 Ų15499.3 Ų99.367%0.6753%0.528SS*.Hα-helixtrans-63-41.5175.4-81.1-169.7173.2-168.80112.5K367 F368 K369 I374 L375K367-K371 PolarHBondContact O-N 2.94Å; F368-K371 PolarHBondContact O-N 3.27Å; K369-K371 PolarHBondContact O-N 3.48Å; K371-I374 PolarHBondContact O-N 2.92Å; K371-L375 WeakPolarHBondContact O-CB 3.36Å; K371-L375 PolarHBondContact O-N 3.35Å
372V50.8Low45.4Very low69 Ų69103.3 Ų103.342%0.41854%0.542SS..Hα-helixtrans-68.6-39177.8170.50000111.5F368 K369 L375 S376F368-V372 HydrophobicContact CD1-CG2 4.1Å; F368-V372 HydrophobicContact CE1-CG2 3.8Å; F368-V372 HydrophobicContact CZ-CG2 4.21Å; F368-V372 WeakPolarHBondContact O-CG2 3.28Å; F368-V372 PolarHBondContact O-N 3Å; K369-V372 PolarHBondContact O-N 3.24Å; V372-L375 PolarHBondContact O-N 3Å; V372-S376 WeakPolarHBondContact O-CB 3.28Å; V372-S376 PolarHBondContact O-N 2.85Å; V372-S376 PolarHBondContact O-OG 3.39Å
373D49.2Very low46Very low74 Ų74103.1 Ų103.140%0.39654%0.539SS..Hα-helixtrans-67.7-38.5175.1-76.5-24.1000111K369 D370 S376 N377K369-D373 WeakPolarHBondContact O-CB 3.45Å; K369-D373 PolarHBondContact O-N 3.17Å; D370-D373 PolarHBondContact O-N 2.97Å; D373-S376 PolarHBondContact O-OG 3.46Å; D373-S376 VanDerWaalsContact O-OG 3.09Å; D373-N377 WeakPolarHBondContact O-CB 3.46Å; D373-N377 PolarHBondContact O-N 3.45Å; D373-N377 PolarHBondContact O-ND2 3.42Å
374I60.8Low46.6Very low105 Ų105103 Ų10354%0.53854%0.539SS..Hα-helixtrans-62.5-47.8172-70.7163.3000111.3D370 K371 N377 L378D370-I374 WeakPolarHBondContact O-CB 3.42Å; D370-I374 WeakPolarHBondContact O-CD1 3.5Å; D370-I374 WeakPolarHBondContact O-CG1 3.38Å; D370-I374 PolarHBondContact O-N 3.48Å; K371-I374 PolarHBondContact O-N 2.92Å; I374-N377 PolarHBondContact O-N 3.47Å; I374-L378 HydrophobicContact CG2-CD1 4.12Å; I374-L378 WeakPolarHBondContact O-CB 3.16Å; I374-L378 PolarHBondContact O-N 3.4Å
375L48.2Very low46.9Very low118 Ų118104.8 Ų104.862%0.61855%0.549SS*.Hα-helixtrans-63.5-40.3178.1-92.4160.6000112.7K371 V372 L378 A379K371-L375 WeakPolarHBondContact O-CB 3.36Å; K371-L375 PolarHBondContact O-N 3.35Å; V372-L375 PolarHBondContact O-N 3Å; L375-L378 PolarHBondContact O-N 3.48Å; L375-A379 VanDerWaalsContact O-CB 3.32Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 2.78Å
376S49.7Very low47.1Very low54 Ų54103.7 Ų103.738%0.37855%0.548SS..Hα-helixtrans-69.1-33.9178.174.10000112.7V372 D373 K380V372-S376 WeakPolarHBondContact O-CB 3.28Å; V372-S376 PolarHBondContact O-N 2.85Å; V372-S376 PolarHBondContact O-OG 3.39Å; D373-S376 PolarHBondContact O-OG 3.46Å; D373-S376 VanDerWaalsContact O-OG 3.09Å; S376-K380 WeakPolarHBondContact O-CB 3.1Å; S376-K380 PolarHBondContact O-N 3.15Å
377N55.2Low47.1Very low100 Ų100105.5 Ų105.554%0.53556%0.558SS.*Hα-helixtrans-72.6-38173.8-75.1-53000112.1D373 I374 K380 A381D373-N377 WeakPolarHBondContact O-CB 3.46Å; D373-N377 PolarHBondContact O-N 3.45Å; D373-N377 PolarHBondContact O-ND2 3.42Å; I374-N377 PolarHBondContact O-N 3.47Å; N377-K380 PolarHBondContact O-N 3.05Å; N377-A381 WeakPolarHBondContact O-CB 3.27Å; N377-A381 PolarHBondContact O-N 3.38Å
378L56.6Low47.3Very low111 Ų111107.5 Ų107.558%0.58157%0.566SS**Hα-helixtrans-63.7-42.3170.4-95.1160.7000112I374 L375 A381 K382I374-L378 HydrophobicContact CG2-CD1 4.12Å; I374-L378 WeakPolarHBondContact O-CB 3.16Å; I374-L378 PolarHBondContact O-N 3.4Å; L375-L378 PolarHBondContact O-N 3.48Å; L378-A381 PolarHBondContact O-N 3.31Å; L378-K382 WeakPolarHBondContact O-CB 3.27Å; L378-K382 PolarHBondContact O-N 3.26Å
379A50.9Low47.1Very low54 Ų54109.7 Ų109.745%0.44658%0.579SS.*Hα-helixtrans-62.5-43.5174.900000111.7L375 K382 V383L375-A379 VanDerWaalsContact O-CB 3.32Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 2.78Å; A379-K382 PolarHBondContact O-N 3.39Å; A379-V383 WeakPolarHBondContact O-CG2 3.45Å; A379-V383 PolarHBondContact O-N 3.4Å
380K51.9Low46.7Very low143 Ų143106.4 Ų106.462%0.62258%0.584SS**Hα-helixtrans-59.7-47.5172.1-95-179.8172.7174.50112.4S376 N377 K382 V383 D384S376-K380 WeakPolarHBondContact O-CB 3.1Å; S376-K380 PolarHBondContact O-N 3.15Å; N377-K380 PolarHBondContact O-N 3.05Å; K380-K382 VanDerWaalsContact C-N 3.28Å; K380-K382 PolarHBondContact O-N 3.41Å; K380-V383 PolarHBondContact O-N 2.98Å; K380-D384 WeakPolarHBondContact O-CB 3.48Å; K380-D384 PolarHBondContact O-N 3.43Å
381A54.9Low45.7Very low59 Ų59107.6 Ų107.649%0.48860%0.6SS.*Hα-helixtrans-60.6-37.9177.400000112.1N377 L378 S385N377-A381 WeakPolarHBondContact O-CB 3.27Å; N377-A381 PolarHBondContact O-N 3.38Å; L378-A381 PolarHBondContact O-N 3.31Å; A381-S385 WeakPolarHBondContact O-CB 3.03Å; A381-S385 PolarHBondContact O-N 3.37Å; A381-S385 PolarHBondContact O-OG 3.13Å
382K46.4Very low44.8Very low150 Ų150109.9 Ų109.965%0.65261%0.61SS**Hα-helixtrans-67.6-42.8176-151.9169.4-173.4178.10111.3L378 A379 K380 S385 L386L378-K382 WeakPolarHBondContact O-CB 3.27Å; L378-K382 PolarHBondContact O-N 3.26Å; A379-K382 PolarHBondContact O-N 3.39Å; K380-K382 VanDerWaalsContact C-N 3.28Å; K380-K382 PolarHBondContact O-N 3.41Å; K382-S385 PolarHBondContact O-N 2.99Å; K382-S385 PolarHBondContact O-OG 3.48Å; K382-L386 PolarHBondContact O-N 3.12Å
383V48.4Very low44.1Very low97 Ų97111.5 Ų111.559%0.58862%0.621SS**Hα-helixtrans-64.4-43.4174.5170.60000112.2A379 K380 S385 L386 S387A379-V383 WeakPolarHBondContact O-CG2 3.45Å; A379-V383 PolarHBondContact O-N 3.4Å; K380-V383 PolarHBondContact O-N 2.98Å; V383-S385 VanDerWaalsContact C-N 3.31Å; V383-S385 PolarHBondContact O-N 3.28Å; V383-L386 PolarHBondContact O-N 3Å; V383-S387 PolarHBondContact O-N 2.92Å; V383-S387 VanDerWaalsContact O-N 3.07Å
384D44.9Very low42.9Very low105 Ų105115.9 Ų115.956%0.56164%0.639SS**Hα-helixtrans-64.9-35.7176.2-77.4-20.1000111.5K380 S387K380-D384 WeakPolarHBondContact O-CB 3.48Å; K380-D384 PolarHBondContact O-N 3.43Å; D384-S387 PolarHBondContact O-N 3.34Å; D384-S387 PolarHBondContact O-OG 3.2Å
385S43.2Very low41.1Very low72 Ų72119 Ų11950%0.50365%0.652SS.*Hα-helixtrans-66.8-38.5174.476.60000112.9A381 K382 V383 S387 K388A381-S385 WeakPolarHBondContact O-CB 3.03Å; A381-S385 PolarHBondContact O-N 3.37Å; A381-S385 PolarHBondContact O-OG 3.13Å; K382-S385 PolarHBondContact O-N 2.99Å; K382-S385 PolarHBondContact O-OG 3.48Å; V383-S385 VanDerWaalsContact C-N 3.31Å; V383-S385 PolarHBondContact O-N 3.28Å; S385-S387 VanDerWaalsContact C-N 3.27Å; S385-S387 PolarHBondContact O-N 2.67Å; S385-K388 PolarHBondContact O-N 3.37Å
386L42.3Very low39.9Very low139 Ų139121.8 Ų121.873%0.72866%0.662SS**Hα-helixtrans-69.4-21.9174.7-81.2156.9000112.9K382 V383 K388K382-L386 PolarHBondContact O-N 3.12Å; V383-L386 PolarHBondContact O-N 3Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 2.97Å
387S37.1Very low38.7Very low86 Ų86128.1 Ų128.160%0.60169%0.685SS**THydrogen-bonded Turntrans-76.7-12.3177.780.10000115V383 D384 S385V383-S387 PolarHBondContact O-N 2.92Å; V383-S387 VanDerWaalsContact O-N 3.07Å; D384-S387 PolarHBondContact O-N 3.34Å; D384-S387 PolarHBondContact O-OG 3.2Å; S385-S387 VanDerWaalsContact C-N 3.27Å; S385-S387 PolarHBondContact O-N 2.67Å
388K39.3Very low37.1Very low186 Ų186132.6 Ų132.681%0.80970%0.7SS**SBendtrans-113.94.1-168.6-85.7-176.7176.2175.70116.5S385 L386S385-K388 PolarHBondContact O-N 3.37Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 2.97Å
389Q32.9Very low36.1Very low193 Ų193132.7 Ų132.790%0.90271%0.707SS**  trans-105.173.7178.9-153.4165.824.900111.8
390G28.9Very low34.9Very low68 Ų68134.4 Ų134.470%0.70172%0.721SS**  trans-163.843.3-173.400000116.3
391S25.3Very low33.5Very low123 Ų123136.4 Ų136.486%0.8673%0.733SS**  trans178.9139.7153.231.40000114.2
392K24.6Very low32.2Very low202 Ų202138.8 Ų138.888%0.87875%0.746SS**  trans-150.9159.3155.7-97.9-169.3175.5-1740105.5
393P36.1Very low31.8Very low102 Ų102136.2 Ų136.266%0.66275%0.745SS**  cis-110.9-163.518.438.1-21.1000111.6
394E23.4Very low30.8Very low166 Ų166138.7 Ų138.778%0.77676%0.755SS**  cis-163.5173.223.7-148.4146.2-143.600112.2
395E23.6Very low29.9Very low170 Ų170138.3 Ų138.379%0.79476%0.756SS**  trans67.4117162.6-82.1171.917900124.6
396E22.9Very low29.1Very low178 Ų178141.1 Ų141.183%0.83277%0.765SS**  trans69.5151.3131.6-77.1-163.1146.300127.7
397E23.5Very low28.3Very low187 Ų187142.2 Ų142.287%0.87477%0.766SS**  trans73.1130.6168.2-64.2-154.5123.800124.4
398K21Very low27.8Very low194 Ų194144 Ų14484%0.84377%0.773SS**  trans-93.7-175167.1-98.6177.2-178.9174.20108.5
399P37.4Very low27.2Very low112 Ų112140.9 Ų140.973%0.72777%0.77SS**  cis-135.2177-13.328.5-6.7000115.2
400A24.1Very low27.6Very low90 Ų90137 Ų13774%0.74476%0.761SS**  trans62.2139.5147.200000118.9
401Q22.5Very low27.5Very low186 Ų186138.2 Ų138.287%0.86977%0.765SS**  -161.7144.352.2-79.8178.1-17.700111.3
402S28.9Very low27.5Very low108 Ų108137 Ų13776%0.75576%0.757SS**  trans-89.4163.5143.267.70000107.4
403P37.7Very low27.5Very low97 Ų97134.9 Ų134.963%0.6376%0.755SS**  -159.3175.873.642.8-22000118.4
404N27.8Very low26.9Very low149 Ų149135.2 Ų135.280%0.79776%0.759SS**  trans78.1147139.6-79.5-2.1000119.6
405T24.9Very low27Very low96 Ų96136.4 Ų136.459%0.58977%0.765SS**  cis-168.1148.917.9-1280000116.1
406L27.6Very low27.1Very low131 Ų131132.5 Ų132.569%0.68676%0.762SS**  trans57160.1154.8-7960.3000118.9
407Q25.1Very low27.1Very low163 Ų163129.5 Ų129.576%0.76276%0.761SS**  cis-171.7168.1-11.8-111.4174.8-2.600107.9
408V26Very low27.2Very low123 Ų123131 Ų13175%0.74576%0.764SS**  cis-159.8-173.3-12.274.70000109.6
409T27.3Very low27.3Very low120 Ų120127.9 Ų127.974%0.73676%0.757SS**  trans-104.3-160.4179.4520000111.2
410P40.2Very low26.8Very low112 Ų112130.1 Ų130.173%0.72776%0.755SS**  cis-145.4-174.4-0.344.5-24.4000118.5
411A26.7Very low26.9Very low94 Ų94134.5 Ų134.578%0.77776%0.76SS**  trans66.8156.5150.600000119.3
412S25.6Very low27.1Very low98 Ų98133.3 Ų133.369%0.68575%0.752SS**  cis-152.4165.7-19.745.80000107.5
413D25.4Very low26.9Very low157 Ų157132.5 Ų132.584%0.8475%0.751SS**  -176.7166.494.1-86.7-12.4000112.1
414S24.3Very low26.3Very low108 Ų108133.1 Ų133.176%0.75575%0.749SS**  trans-118.5162.2-171.453.90000113.6
415E24.8Very low26.3Very low191 Ų191132.1 Ų132.189%0.89375%0.749SS**  trans131.1147163.6-79.6-171.7-176.800111.7
416A24.8Very low26.8Very low89 Ų89132.4 Ų132.474%0.73675%0.752SS**  cis-158.5163.4-17.400000110.9
417S22.8Very low26.7Very low115 Ų115134.5 Ų134.580%0.80476%0.759SS**  trans-32.3144.5178.4-46.20000120.4
418K25.5Very low26.7Very low217 Ų217134.3 Ų134.394%0.94376%0.763SS**  -152.8161.5121.2-120.6171.6-174.7173.50113.3
419D24.9Very low26.6Very low129 Ų129132 Ų13269%0.6976%0.764SS**  trans-144.6161.8-150.4175.731.7000110.5
420K26.1Very low26.5Very low159 Ų159134.8 Ų134.869%0.69177%0.769SS**  trans76.7146.6174.9-51174.6-174.6174.70115.8
421H26.9Very low25.9Very low183 Ų183137 Ų13785%0.84777%0.769SS**  cis-137.4166.223.3-115.1-61.4000115.2
422K25.9Very low25.8Very low161 Ų161137.1 Ų137.170%0.776%0.764SS**  trans-127.5140.9-176.5-178.1-164.2-168.4-124.70111.1D424K422-D424 VanDerWaalsContact CE-OD2 3.27Å; K422-D424 WeakPolarHBondContact CE-OD2 3.35Å; K422-D424 IonicContact NZ-OD1 2.68Å; K422-D424 IonicContact NZ-OD2 3.28Å; K422-D424 PolarHBondContact NZ-OD2 2.83Å
423A25.3Very low25.8Very low90 Ų90137.8 Ų137.874%0.74477%0.769SS**  trans-172124.9155.400000106.7
424D24.6Very low25.8Very low110 Ų110138.7 Ų138.759%0.58877%0.768SS**  cis59.2122.745.9-59-30.7000111.5K422K422-D424 VanDerWaalsContact CE-OD2 3.27Å; K422-D424 WeakPolarHBondContact CE-OD2 3.35Å; K422-D424 IonicContact NZ-OD1 2.68Å; K422-D424 IonicContact NZ-OD2 3.28Å; K422-D424 PolarHBondContact NZ-OD2 2.83Å
425T27.1Very low25.9Very low128 Ų128139.2 Ų139.279%0.78577%0.772SS**  cis-168.8-161.10.4-8.30000106.5
426P35.2Very low26Very low102 Ų102136.8 Ų136.866%0.66277%0.765SS**  cis-131.7174.5-37.637-18.6000115.5
427Q26.1Very low26Very low176 Ų176139.9 Ų139.982%0.82277%0.769SS**  trans26.6133.2144.1-64.7172.6-61.400124
428D25Very low26.2Very low159 Ų159140 Ų14085%0.8577%0.77SS**  -167.7132.4100.4-91-26.7000108.7
429G25Very low26.4Very low75 Ų75139 Ų13977%0.77377%0.769SS**  88.1135.99400000112.2
430Q25.2Very low26.4Very low178 Ų178140.5 Ų140.583%0.83278%0.777SS**  cis-171.3170.33.4-157.9167.8-0.500109.8
431H26.9Very low26.5Very low159 Ų159138.2 Ų138.274%0.73678%0.78SS**  trans71.2109.9170.6-86.2-85.6000118.1
432S24.5Very low26.5Very low96 Ų96134.8 Ų134.867%0.67178%0.777SS**  82.5139.774.279.20000113.6
433S26.4Very low26.5Very low112 Ų112131.8 Ų131.878%0.78378%0.777SS**  cis-153.3163.324.151.80000113.5
434E24.7Very low26.5Very low176 Ų176135.3 Ų135.382%0.82278%0.783SS**  trans-75.2160.9177.9-58.9139.3144.100114.2
435S27Very low26.6Very low119 Ų119136.4 Ų136.483%0.83279%0.789SS**  trans-163.5134.4140.660.10000110.6
436D25.3Very low26.6Very low139 Ų139139 Ų13974%0.74379%0.792SS**  trans-89.6166.6-158.9-52.3-63.1000117.6
437D25Very low26.3Very low154 Ų154142.4 Ų142.482%0.82480%0.799SS**  trans46120.6141.6-64.3-17000122.6
438S27.9Very low26.3Very low119 Ų119141.1 Ų141.183%0.83280%0.798SS**  -162.8131.111060.60000112
439E28.9Very low26.6Very low195 Ų195139 Ų13991%0.91180%0.795SS**  trans-65.6142.1172.1-54.8174.2141.200111.6
440D25.2Very low26.7Very low161 Ų161143.1 Ų143.186%0.86180%0.8SS**  trans-157.3153.7133.3-134.6-26.1000112.7
441S29.6Very low27Very low110 Ų110141.1 Ų141.177%0.76980%0.795SS**  trans-85.8136.3-164.961.90000115.2
442S25.8Very low27.2Very low112 Ų112137.4 Ų137.478%0.78379%0.787SS**  trans-152127.4154.461.70000112.2
443S25.8Very low27.3Very low98 Ų98138.8 Ų138.869%0.68579%0.791SS**  trans-31132.2174.551.40000117.2N445S443-N445 PolarHBondContact O-N 3.11Å
444D25.8Very low27.5Very low163 Ų163141.1 Ų141.187%0.87280%0.795SS**  trans-60.9100.6161.5-58-56.2000110.3
445N26.1Very low28Very low134 Ų134135.5 Ų135.572%0.71777%0.771SS**  trans-104.7104152.5-75.6-44.2000106.2S443 E447S443-N445 PolarHBondContact O-N 3.11Å; N445-E447 PolarHBondContact O-N 3.44Å
446E28.2Very low28.1Very low182 Ų182138.2 Ų138.285%0.8577%0.77SS**  trans-65.6104161.4-68.5-178.5152.400107.1D448E446-D448 PolarHBondContact O-N 2.7Å; E446-D448 VanDerWaalsContact O-N 3.08Å
447E27.3Very low28.5Very low174 Ų174138.3 Ų138.381%0.81377%0.766SS**  trans-71.695.2165.7-70.7-172.6162.500107.7N445 S449N445-E447 PolarHBondContact O-N 3.44Å; E447-S449 PolarHBondContact O-N 3.45Å; E447-S449 PolarHBondContact O-OG 3.5Å
448D27.7Very low29Very low148 Ų148132.2 Ų132.279%0.79173%0.734SS**  trans-52101.1167.6-88.2-35.7000108.8E446 D450E446-D448 PolarHBondContact O-N 2.7Å; E446-D448 VanDerWaalsContact O-N 3.08Å; D448-D450 PolarHBondContact O-N 2.79Å; D448-D450 VanDerWaalsContact O-N 3.12Å
449S29.8Very low29.6Very low114 Ų114129.8 Ų129.880%0.79771%0.711SS**  trans-8951.3-178.514.90000110.3E447 D451E447-S449 PolarHBondContact O-N 3.45Å; E447-S449 PolarHBondContact O-OG 3.5Å; S449-D451 VanDerWaalsContact C-N 3.26Å; S449-D451 PolarHBondContact O-N 3.38Å; S449-D451 VanDerWaalsContact O-N 3.11Å
450D28.5Very low30.4Very low162 Ų162126.8 Ų126.887%0.86670%0.697SS**  trans-82.672.1169.9-91-6.2000109.6D448D448-D450 PolarHBondContact O-N 2.79Å; D448-D450 VanDerWaalsContact O-N 3.12Å
451D30Very low31.4Very low136 Ų136121.4 Ų121.473%0.72767%0.671SS**  trans-118.1135.5164.4-163.68.6000110.8S449S449-D451 VanDerWaalsContact C-N 3.26Å; S449-D451 PolarHBondContact O-N 3.38Å; S449-D451 VanDerWaalsContact O-N 3.11Å
452S31Very low32.5Very low82 Ų82117.6 Ų117.657%0.57364%0.642SS**SBendtrans64.451.6159.169.10000120.9
453T27.2Very low33.5Very low125 Ų125115.5 Ų115.577%0.76763%0.627SS**SBendtrans-109.7-2.7162.647.20000116.6D455T453-D455 VanDerWaalsContact C-N 3.35Å
454D31.2Very low34.9Very low161 Ų161113.5 Ų113.586%0.86161%0.609SS**SBendtrans-86.30.3175-84.7-10.2000113.6
455D33.8Very low36.3Very low58 Ų58113.1 Ų113.131%0.3160%0.602SS.*SBendtrans-106.8-9-173.4-85.3-49.8000115.6Q347 T453 N458Q347-D455 HydrophobicContact CG-CB 4.38Å; Q347-D455 VanDerWaalsContact NE2-CG 3.29Å; Q347-D455 PolarHBondContact NE2-OD2 3.03Å; T453-D455 VanDerWaalsContact C-N 3.35Å; D455-N458 PolarHBondContact O-ND2 3.04Å
456E29.4Very low38Very low176 Ų176114.4 Ų114.482%0.82260%0.597SS**G310 helixtrans-83.3-9.9-179.1-67.7-160.514500114.5N458E456-N458 PolarHBondContact O-N 2.84Å
457E33.6Very low39.9Very low141 Ų141107 Ų10766%0.65956%0.564SS**G310 helixtrans-74.7-2.6179-136.7-175.4-140.200113.5Q354 D459Q354-E457 PolarHBondContact NE2-OE2 2.82Å; E457-D459 PolarHBondContact O-N 3.18Å
458N36.5Very low42Very low26 Ų26107.6 Ų107.614%0.13957%0.567CS.*G310 helixtrans-81.4-6.6-167.7-72.8-70.2000116.3R349 D455 E456R349-N458 PolarHBondContact O-OD1 2.93Å; D455-N458 PolarHBondContact O-ND2 3.04Å; E456-N458 PolarHBondContact O-N 2.84Å
459D40.2Very low44.4Very low67 Ų67104.1 Ų104.136%0.35855%0.551SS.*G310 helixtrans-131.513.8-172.7-99.6-32.3000115R349 E457R349-D459 IonicContact CZ-OD1 3.22Å; R349-D459 IonicContact NH1-OD1 2.76Å; R349-D459 PolarHBondContact NH1-OD1 2.86Å; E457-D459 PolarHBondContact O-N 3.18Å
460E44.7Very low46.7Very low132 Ų132109 Ų10962%0.61755%0.552SS**  trans-63.4132175-69-152.814900111.8
461P47.6Very low48.8Very low48 Ų48106.8 Ų106.831%0.31254%0.535SS..  trans-68.2152.7175.930.6-35.5000110.3S463 R494 N495P461-S463 PolarHBondContact O-N 3.49Å; P461-R494 HydrophobicContact CB-CB 4.44Å; P461-N495 HydrophobicContact CB-CB 4.02Å; P461-N495 HydrophobicContact CG-CB 4.26Å
462L51.9Low50.7Low30 Ų30104.8 Ų104.816%0.15752%0.52CS..  trans-55.599.5-172.2-160.484.2000111.8E152 L464 V483 D492E152-L462 WeakPolarHBondContact OE2-CD1 3.5Å; L462-L464 PolarHBondContact O-N 2.96Å; L462-V483 HydrophobicContact CD2-CG1 3.56Å; L462-V483 HydrophobicContact CD2-CG2 4.37Å; L462-D492 PolarHBondContact N-OD2 2.99Å
463S47.3Very low52.9Low69 Ų69103.1 Ų103.148%0.48350%0.503SS..  trans-82115.9-170.361.40000109.8P461 E465P461-S463 PolarHBondContact O-N 3.49Å; S463-E465 PolarHBondContact O-N 3.31Å
464L54.9Low55.2Low55 Ų55100.1 Ų100.129%0.28849%0.491SS..  trans-75.727.4171.1-63.6-177.5000112L462 Y476 V483 W487L462-L464 PolarHBondContact O-N 2.96Å; L464-Y476 HydrophobicContact CD2-CE2 4.18Å; L464-V483 HydrophobicContact CD2-CG1 3.78Å; L464-W487 HydrophobicContact CD1-CD2 3.44Å; L464-W487 VanDerWaalsContact CD1-CD2 3.44Å; L464-W487 HydrophobicContact CD1-CE3 3.95Å; L464-W487 HydrophobicContact CD1-CG 3.71Å; L464-W487 HydrophobicContact CD1-CH2 4.33Å; L464-W487 HydrophobicContact CD1-CZ2 3.87Å; L464-W487 HydrophobicContact CD1-CZ3 4.36Å; L464-W487 HydrophobicContact CG-CD2 4.48Å; L464-W487 HydrophobicContact CG-CG 4.3Å
465E55.7Low57.3Low155 Ų15593.8 Ų93.872%0.72446%0.456SS*.  trans-76134.6178.8-64.6-158.3156.800109.5S463 P467S463-E465 PolarHBondContact O-N 3.31Å; E465-P467 WeakPolarHBondContact O-CD 3.3Å
466W60.8Low59.4Low162 Ų16292.5 Ų92.561%0.61445%0.447SS*.  trans-68.2115.8-175.2179.8-92.7000109.4Q473 Y476W466-Q473 HydrophobicContact CZ2-CB 4.17Å; W466-Q473 HydrophobicContact CZ2-CG 3.86Å; W466-Y476 HydrophobicContact CE3-CD1 4.47Å; W466-Y476 HydrophobicContact CE3-CE1 4.43Å; W466-Y476 HydrophobicContact CZ3-CD1 4.35Å; W466-Y476 HydrophobicContact CZ3-CE1 4.49Å
467P68.7Low61.9Low25 Ų2589.8 Ų89.816%0.16244%0.438CS..  trans-66.2144.5-172.1-20.632.5000111.7E465 K472 Q473 Y476E465-P467 WeakPolarHBondContact O-CD 3.3Å; P467-K472 HydrophobicContact CB-CB 3.39Å; P467-K472 HydrophobicContact CB-CD 4.38Å; P467-K472 HydrophobicContact CG-CB 4.02Å; P467-Q473 HydrophobicContact CB-CG 4.3Å; P467-Q473 VanDerWaalsContact O-CD 3.32Å; P467-Q473 WeakPolarHBondContact O-CG 3.47Å; P467-Q473 PolarHBondContact O-NE2 3.02Å; P467-Y476 HydrophobicContact CG-CG 4.38Å
468E70.9Confident64.2Low187 Ų18787.2 Ų87.287%0.87443%0.425SS*.SBendtrans-74.3-33.4179.1-58.9-165.8150.900112.8Q473E468-Q473 PolarHBondContact O-NE2 3.28Å
469T79.8Confident66.4Low75 Ų7586.1 Ų86.146%0.4642%0.419SS..SBendtrans-82.9131.4-175.6-35.10000112.2K471 K472 Q473T469-K471 VanDerWaalsContact C-N 3.27Å; T469-K471 HydrophobicContact CG2-CB 4.47Å; T469-K471 PolarHBondContact O-N 3.34Å; T469-K471 VanDerWaalsContact O-N 3.16Å; T469-K472 PolarHBondContact O-N 3.26Å; T469-Q473 WeakPolarHBondContact O-CG 3.48Å; T469-Q473 PolarHBondContact O-N 3.2Å
470R77.6Confident68.5Low218 Ų21886.7 Ų86.782%0.82342%0.418SS*.Hα-helixtrans-53.8-36.2177.3-69.8-170.9178.7-171.20.3114.6A474R470-A474 PolarHBondContact O-N 3.34Å; R470-A474 VanDerWaalsContact O-N 3.08Å
471K72.2Confident70.5Confident115 Ų11584 Ų8450%0.541%0.412SS..Hα-helixtrans-59.1-52.3172.2-74.3-172.1178.8-176.50111.1L360 D361 T469 Q473 A474 I475L360-K471 PolarHBondContact O-NZ 3.41Å; L360-K471 VanDerWaalsContact O-NZ 3.07Å; D361-K471 IonicContact OD1-NZ 3.87Å; D361-K471 PolarHBondContact OD1-NZ 3.01Å; T469-K471 VanDerWaalsContact C-N 3.27Å; T469-K471 HydrophobicContact CG2-CB 4.47Å; T469-K471 PolarHBondContact O-N 3.34Å; T469-K471 VanDerWaalsContact O-N 3.16Å; K471-Q473 PolarHBondContact O-N 3.39Å; K471-A474 PolarHBondContact O-N 2.85Å; K471-I475 WeakPolarHBondContact O-CG1 3.42Å; K471-I475 PolarHBondContact O-N 3.23Å; K471-I475 VanDerWaalsContact O-N 3.11Å
472K69.8Low72.3Confident94 Ų9482.1 Ų82.141%0.40940%0.399SS..Hα-helixtrans-64.2-38.6179.6-65.6-172.2176.4-171.40111.8I357 P467 T469 A474 I475 Y476I357-K472 HydrophobicContact CD1-CD 4.47Å; I357-K472 HydrophobicContact CD1-CG 4.28Å; P467-K472 HydrophobicContact CB-CB 3.39Å; P467-K472 HydrophobicContact CB-CD 4.38Å; P467-K472 HydrophobicContact CG-CB 4.02Å; T469-K472 PolarHBondContact O-N 3.26Å; K472-A474 PolarHBondContact O-N 3.02Å; K472-I475 PolarHBondContact O-N 3.49Å; K472-Y476 VanDerWaalsContact O-CB 3.28Å; K472-Y476 WeakPolarHBondContact O-CB 3.47Å; K472-Y476 PolarHBondContact O-N 2.64Å
473Q76.7Confident73.7Confident47 Ų4781 Ų8122%0.2239%0.394CS..Hα-helixtrans-60.4-42.7174.2-68.9170-7.100112.5W466 P467 E468 T469 K471 Y476 L477W466-Q473 HydrophobicContact CZ2-CB 4.17Å; W466-Q473 HydrophobicContact CZ2-CG 3.86Å; P467-Q473 HydrophobicContact CB-CG 4.3Å; P467-Q473 VanDerWaalsContact O-CD 3.32Å; P467-Q473 WeakPolarHBondContact O-CG 3.47Å; P467-Q473 PolarHBondContact O-NE2 3.02Å; E468-Q473 PolarHBondContact O-NE2 3.28Å; T469-Q473 WeakPolarHBondContact O-CG 3.48Å; T469-Q473 PolarHBondContact O-N 3.2Å; K471-Q473 PolarHBondContact O-N 3.39Å; Q473-Y476 PolarHBondContact O-N 3.31Å; Q473-L477 WeakPolarHBondContact O-CB 3.47Å; Q473-L477 PolarHBondContact O-N 3.38Å
474A77Confident75.5Confident62 Ų6281.2 Ų81.251%0.51239%0.386SS..Hα-helixtrans-67-43.617800000112.1R470 K471 K472 L477 F478R470-A474 PolarHBondContact O-N 3.34Å; R470-A474 VanDerWaalsContact O-N 3.08Å; K471-A474 PolarHBondContact O-N 2.85Å; K472-A474 PolarHBondContact O-N 3.02Å; A474-L477 PolarHBondContact O-N 3.36Å; A474-F478 WeakPolarHBondContact O-CB 3.34Å; A474-F478 PolarHBondContact O-N 3.42Å
475I74.6Confident77Confident27 Ų2780.2 Ų80.214%0.13838%0.383CS..Hα-helixtrans-61.4-45.6174.4-69167.4000110.8F353 M356 I357 K471 K472 L477 F478 L479F353-I475 HydrophobicContact CE1-CG2 4.45Å; M356-I475 HydrophobicContact CE-CG1 4.4Å; M356-I475 HydrophobicContact CE-CG2 3.45Å; M356-I475 VanDerWaalsContact CE-CG2 3.45Å; I357-I475 HydrophobicContact CG1-CD1 4.27Å; K471-I475 WeakPolarHBondContact O-CG1 3.42Å; K471-I475 PolarHBondContact O-N 3.23Å; K471-I475 VanDerWaalsContact O-N 3.11Å; K472-I475 PolarHBondContact O-N 3.49Å; I475-L477 PolarHBondContact O-N 3.44Å; I475-F478 PolarHBondContact O-N 3.03Å; I475-L479 HydrophobicContact CG2-CD1 3.92Å; I475-L479 PolarHBondContact O-N 3.35Å
476Y76.9Confident78.4Confident32 Ų3272.8 Ų72.813%0.12535%0.348CS..Hα-helixtrans-60-46.5176.9-179.8-91.6000111.6L464 W466 P467 K472 Q473 F478 L479 F480L464-Y476 HydrophobicContact CD2-CE2 4.18Å; W466-Y476 HydrophobicContact CE3-CD1 4.47Å; W466-Y476 HydrophobicContact CE3-CE1 4.43Å; W466-Y476 HydrophobicContact CZ3-CD1 4.35Å; W466-Y476 HydrophobicContact CZ3-CE1 4.49Å; P467-Y476 HydrophobicContact CG-CG 4.38Å; K472-Y476 VanDerWaalsContact O-CB 3.28Å; K472-Y476 WeakPolarHBondContact O-CB 3.47Å; K472-Y476 PolarHBondContact O-N 2.64Å; Q473-Y476 PolarHBondContact O-N 3.31Å; Y476-F478 VanDerWaalsContact C-N 3.28Å; Y476-F478 PolarHBondContact O-N 3.14Å; Y476-L479 PolarHBondContact O-N 3.31Å; Y476-F480 AromaticContact CE1-CD2 3.99Å; Y476-F480 HydrophobicContact CE1-CD2 3.99Å; Y476-F480 VanDerWaalsContact O-CB 3.29Å; Y476-F480 WeakPolarHBondContact O-CB 3.29Å; Y476-F480 PolarHBondContact O-N 2.94Å
477L81.7Confident79.6Confident118 Ų11869.1 Ų69.162%0.61833%0.334SS*.Hα-helixtrans-62-36177.1-172.468.6000112.3Q473 A474 I475Q473-L477 WeakPolarHBondContact O-CB 3.47Å; Q473-L477 PolarHBondContact O-N 3.38Å; A474-L477 PolarHBondContact O-N 3.36Å; I475-L477 PolarHBondContact O-N 3.44Å
478F82.8Confident80.4Confident88 Ų8868.8 Ų68.839%0.38633%0.333SS..Hα-helixtrans-70.2-39.9177.3178.9-119.6000113.1F137 Y141 A474 I475 Y476 P481F137-F478 AromaticContact CE1-CE2 3.99Å; F137-F478 HydrophobicContact CE1-CE2 3.99Å; F137-F478 HydrophobicContact CE1-CZ 4.29Å; F137-F478 HydrophobicContact CE2-CE2 4.39Å; F137-F478 HydrophobicContact CE2-CZ 4.18Å; F137-F478 AromaticContact CZ-CE2 3.44Å; F137-F478 HydrophobicContact CZ-CE2 3.44Å; F137-F478 VanDerWaalsContact CZ-CE2 3.44Å; F137-F478 AromaticContact CZ-CZ 3.6Å; F137-F478 HydrophobicContact CZ-CZ 3.6Å; Y141-F478 AromaticContact CD2-CE1 3.75Å; Y141-F478 HydrophobicContact CD2-CE1 3.75Å; Y141-F478 AromaticContact CD2-CE2 3.77Å; Y141-F478 HydrophobicContact CD2-CE2 3.77Å; Y141-F478 AromaticContact CD2-CZ 3.27Å; Y141-F478 HydrophobicContact CD2-CZ 3.27Å; Y141-F478 HydrophobicContact CE2-CD1 4.25Å; Y141-F478 HydrophobicContact CE2-CD2 4.11Å; Y141-F478 AromaticContact CE2-CE1 3.81Å; Y141-F478 HydrophobicContact CE2-CE1 3.81Å; Y141-F478 AromaticContact CE2-CE2 3.61Å; Y141-F478 HydrophobicContact CE2-CE2 3.61Å; Y141-F478 HydrophobicContact CE2-CG 4.41Å; Y141-F478 AromaticContact CE2-CZ 3.49Å; Y141-F478 HydrophobicContact CE2-CZ 3.49Å; Y141-F478 VanDerWaalsContact CE2-CZ 3.49Å; Y141-F478 WeakPolarHBondContact CE2-O 3.34Å; Y141-F478 HydrophobicContact CG-CZ 4.4Å; Y141-F478 PolarHBondContact OH-O 2.92Å; A474-F478 WeakPolarHBondContact O-CB 3.34Å; A474-F478 PolarHBondContact O-N 3.42Å; I475-F478 PolarHBondContact O-N 3.03Å; Y476-F478 VanDerWaalsContact C-N 3.28Å; Y476-F478 PolarHBondContact O-N 3.14Å; F478-P481 WeakPolarHBondContact O-CD 3.46Å
479L83.1Confident81.2Confident2 Ų263.2 Ų63.21%0.0131%0.311CS..Hα-helixtrans-86.6-13.4179.5-64.2176.2000113.3Y141 V144 I148 F353 M356 I475 Y476 P481 I482 V483Y141-L479 HydrophobicContact CE2-CD2 4.4Å; V144-L479 HydrophobicContact CG1-CD2 3.77Å; I148-L479 HydrophobicContact CD1-CD1 4.43Å; I148-L479 HydrophobicContact CD1-CD2 4.37Å; F353-L479 HydrophobicContact CD2-CD1 4.14Å; F353-L479 HydrophobicContact CE1-CD1 4.23Å; F353-L479 HydrophobicContact CE2-CB 4.36Å; F353-L479 HydrophobicContact CE2-CD1 3.39Å; F353-L479 HydrophobicContact CE2-CG 4.5Å; F353-L479 HydrophobicContact CZ-CB 4.3Å; F353-L479 HydrophobicContact CZ-CD1 3.45Å; F353-L479 VanDerWaalsContact CZ-CD1 3.45Å; M356-L479 HydrophobicContact CE-CD1 3.84Å; I475-L479 HydrophobicContact CG2-CD1 3.92Å; I475-L479 PolarHBondContact O-N 3.35Å; Y476-L479 PolarHBondContact O-N 3.31Å; L479-P481 VanDerWaalsContact C-CD 3.45Å; L479-I482 HydrophobicContact CD2-CD1 4.26Å; L479-I482 PolarHBondContact O-N 3.07Å; L479-V483 HydrophobicContact CB-CG2 4.23Å; L479-V483 WeakPolarHBondContact O-CG2 3.35Å; L479-V483 PolarHBondContact O-N 3.05Å
480F83.3Confident81.7Confident79 Ų7959.9 Ų59.935%0.34629%0.291SS..Hα-helixtrans-51.3-41.2179.3-177-96.9000114.5Y476 I482 V483 F484Y476-F480 AromaticContact CE1-CD2 3.99Å; Y476-F480 HydrophobicContact CE1-CD2 3.99Å; Y476-F480 VanDerWaalsContact O-CB 3.29Å; Y476-F480 WeakPolarHBondContact O-CB 3.29Å; Y476-F480 PolarHBondContact O-N 2.94Å; F480-I482 VanDerWaalsContact C-N 3.26Å; F480-I482 PolarHBondContact O-N 3.08Å; F480-V483 PolarHBondContact O-N 3.05Å; F480-F484 HydrophobicContact CD1-CB 4.41Å; F480-F484 HydrophobicContact CD2-CB 4.31Å; F480-F484 HydrophobicContact CE1-CB 4.09Å; F480-F484 HydrophobicContact CE1-CD2 4.47Å; F480-F484 HydrophobicContact CE1-CG 4.26Å; F480-F484 HydrophobicContact CE2-CB 3.98Å; F480-F484 HydrophobicContact CE2-CD2 4.04Å; F480-F484 HydrophobicContact CE2-CG 4.34Å; F480-F484 HydrophobicContact CZ-CB 3.86Å; F480-F484 AromaticContact CZ-CD2 3.67Å; F480-F484 HydrophobicContact CZ-CD2 3.67Å; F480-F484 HydrophobicContact CZ-CE2 4.46Å; F480-F484 AromaticContact CZ-CG 3.88Å; F480-F484 HydrophobicContact CZ-CG 3.88Å; F480-F484 WeakPolarHBondContact O-CB 3.48Å; F480-F484 PolarHBondContact O-N 3.15Å
481P86.5Confident82.1Confident77 Ų7750.9 Ų50.950%0.526%0.261SS..Hα-helixtrans-62.2-26.1175.6-21.632.6000114.9Y141 F478 L479 P485Y141-P481 WeakPolarHBondContact OH-CB 3.35Å; Y141-P481 WeakPolarHBondContact OH-CD 3.47Å; Y141-P481 WeakPolarHBondContact OH-CG 3.49Å; F478-P481 WeakPolarHBondContact O-CD 3.46Å; L479-P481 VanDerWaalsContact C-CD 3.45Å; P481-P485 WeakPolarHBondContact O-CD 3.48Å; P481-P485 VanDerWaalsContact O-CG 3.25Å; P481-P485 WeakPolarHBondContact O-CG 3.28Å
482I85.3Confident82.8Confident7 Ų746.3 Ų46.34%0.03624%0.242CC..Hα-helixtrans-85-50.2172.3-66159.2000110.2Y141 A145 L479 F480 F484 P485 L486 F516Y141-I482 HydrophobicContact CD1-CD1 3.9Å; Y141-I482 HydrophobicContact CD1-CG1 4.29Å; Y141-I482 HydrophobicContact CD2-CD1 3.91Å; Y141-I482 HydrophobicContact CE1-CD1 3.5Å; Y141-I482 VanDerWaalsContact CE1-CD1 3.5Å; Y141-I482 HydrophobicContact CE1-CG1 3.57Å; Y141-I482 HydrophobicContact CE2-CD1 3.54Å; Y141-I482 HydrophobicContact CE2-CG1 4.35Å; Y141-I482 HydrophobicContact CG-CD1 4.1Å; A145-I482 HydrophobicContact CB-CD1 3.73Å; A145-I482 HydrophobicContact CB-CG1 3.93Å; A145-I482 HydrophobicContact CB-CG2 3.79Å; L479-I482 HydrophobicContact CD2-CD1 4.26Å; L479-I482 PolarHBondContact O-N 3.07Å; F480-I482 VanDerWaalsContact C-N 3.26Å; F480-I482 PolarHBondContact O-N 3.08Å; I482-F484 PolarHBondContact O-N 2.99Å; I482-P485 WeakPolarHBondContact O-CD 3.39Å; I482-L486 HydrophobicContact CG2-CD1 3.74Å; I482-L486 WeakPolarHBondContact O-CG 3.46Å; I482-L486 PolarHBondContact O-N 2.96Å; I482-F516 HydrophobicContact CG2-CZ 4.25Å
483V82Confident83.5Confident6 Ų642 Ų424%0.03622%0.224CC..Hα-helixtrans-66.9-37.4-172170.20000112F353 L462 L464 L479 F480 L486 W487F353-V483 HydrophobicContact CE2-CG2 4.28Å; L462-V483 HydrophobicContact CD2-CG1 3.56Å; L462-V483 HydrophobicContact CD2-CG2 4.37Å; L464-V483 HydrophobicContact CD2-CG1 3.78Å; L479-V483 HydrophobicContact CB-CG2 4.23Å; L479-V483 WeakPolarHBondContact O-CG2 3.35Å; L479-V483 PolarHBondContact O-N 3.05Å; F480-V483 PolarHBondContact O-N 3.05Å; V483-L486 PolarHBondContact O-N 3.27Å; V483-W487 VanDerWaalsContact O-CB 3.23Å; V483-W487 WeakPolarHBondContact O-CB 3.36Å; V483-W487 PolarHBondContact O-N 2.95Å
484F84.8Confident83.6Confident75 Ų7541.4 Ų41.433%0.32922%0.219SC..Hα-helixtrans-66.2-48.5-177174.9-92.8000113.4F16 F480 I482 S488F16-F484 HydrophobicContact CZ-CE1 4.43Å; F480-F484 HydrophobicContact CD1-CB 4.41Å; F480-F484 HydrophobicContact CD2-CB 4.31Å; F480-F484 HydrophobicContact CE1-CB 4.09Å; F480-F484 HydrophobicContact CE1-CD2 4.47Å; F480-F484 HydrophobicContact CE1-CG 4.26Å; F480-F484 HydrophobicContact CE2-CB 3.98Å; F480-F484 HydrophobicContact CE2-CD2 4.04Å; F480-F484 HydrophobicContact CE2-CG 4.34Å; F480-F484 HydrophobicContact CZ-CB 3.86Å; F480-F484 AromaticContact CZ-CD2 3.67Å; F480-F484 HydrophobicContact CZ-CD2 3.67Å; F480-F484 HydrophobicContact CZ-CE2 4.46Å; F480-F484 AromaticContact CZ-CG 3.88Å; F480-F484 HydrophobicContact CZ-CG 3.88Å; F480-F484 WeakPolarHBondContact O-CB 3.48Å; F480-F484 PolarHBondContact O-N 3.15Å; I482-F484 PolarHBondContact O-N 2.99Å; F484-S488 WeakPolarHBondContact O-CB 3.32Å; F484-S488 PolarHBondContact O-N 3.38Å
485P87.3Confident83.8Confident33 Ų3341.1 Ų41.121%0.21421%0.209CC..Hα-helixtrans-57.8-44.8171.3-26.935.4000113.5P481 I482 S488 T489 W512P481-P485 WeakPolarHBondContact O-CD 3.48Å; P481-P485 VanDerWaalsContact O-CG 3.25Å; P481-P485 WeakPolarHBondContact O-CG 3.28Å; I482-P485 WeakPolarHBondContact O-CD 3.39Å; P485-S488 PolarHBondContact O-N 3.14Å; P485-T489 WeakPolarHBondContact O-CB 3.46Å; P485-T489 WeakPolarHBondContact O-CG2 3.36Å; P485-T489 PolarHBondContact O-N 2.88Å; P485-T489 PolarHBondContact O-OG1 2.97Å; P485-W512 HydrophobicContact CB-CH2 3.48Å; P485-W512 VanDerWaalsContact CB-CH2 3.48Å; P485-W512 HydrophobicContact CB-CZ2 3.6Å; P485-W512 HydrophobicContact CB-CZ3 4.48Å; P485-W512 HydrophobicContact CG-CH2 4.49Å
486L85.5Confident83.9Confident0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-59.9-55.8178.6-69.1174.3000111.2I148 V149 Y153 I482 V483 S488 T489 V490 W512 F516I148-L486 HydrophobicContact CG2-CD1 4.03Å; V149-L486 HydrophobicContact CG2-CD1 3.57Å; V149-L486 HydrophobicContact CG2-CD2 3.53Å; V149-L486 HydrophobicContact CG2-CG 4.2Å; Y153-L486 HydrophobicContact CE2-CB 4.23Å; Y153-L486 HydrophobicContact CE2-CD1 4.35Å; I482-L486 HydrophobicContact CG2-CD1 3.74Å; I482-L486 WeakPolarHBondContact O-CG 3.46Å; I482-L486 PolarHBondContact O-N 2.96Å; V483-L486 PolarHBondContact O-N 3.27Å; L486-S488 PolarHBondContact O-N 3.37Å; L486-T489 PolarHBondContact O-N 2.87Å; L486-T489 VanDerWaalsContact O-N 3.11Å; L486-T489 PolarHBondContact O-OG1 3.21Å; L486-V490 PolarHBondContact O-N 3.47Å; L486-W512 HydrophobicContact CD2-CB 3.84Å; L486-W512 HydrophobicContact CD2-CD2 3.61Å; L486-W512 HydrophobicContact CD2-CE3 4.26Å; L486-W512 HydrophobicContact CD2-CG 3.4Å; L486-F516 HydrophobicContact CD1-CE2 4.44Å; L486-F516 HydrophobicContact CD2-CE2 4.26Å
487W84.6Confident84Confident85 Ų8549 Ų4932%0.32226%0.259SS..Hα-helixtrans-59.6-30177.717692.1000113.8L9 R13 L464 V483L9-W487 HydrophobicContact CD2-CH2 4.37Å; R13-W487 PolarHBondContact NH2-O 3.32Å; L464-W487 HydrophobicContact CD1-CD2 3.44Å; L464-W487 VanDerWaalsContact CD1-CD2 3.44Å; L464-W487 HydrophobicContact CD1-CE3 3.95Å; L464-W487 HydrophobicContact CD1-CG 3.71Å; L464-W487 HydrophobicContact CD1-CH2 4.33Å; L464-W487 HydrophobicContact CD1-CZ2 3.87Å; L464-W487 HydrophobicContact CD1-CZ3 4.36Å; L464-W487 HydrophobicContact CG-CD2 4.48Å; L464-W487 HydrophobicContact CG-CG 4.3Å; V483-W487 VanDerWaalsContact O-CB 3.23Å; V483-W487 WeakPolarHBondContact O-CB 3.36Å; V483-W487 PolarHBondContact O-N 2.95Å
488S86.1Confident84Confident18 Ų1844.9 Ų44.913%0.12624%0.24CC..Hα-helixtrans-75-34.1178.2-1700000112.7F484 P485 L486F484-S488 WeakPolarHBondContact O-CB 3.32Å; F484-S488 PolarHBondContact O-N 3.38Å; P485-S488 PolarHBondContact O-N 3.14Å; L486-S488 PolarHBondContact O-N 3.37Å
489T88.8Confident84Confident69 Ų6944.1 Ų44.142%0.42324%0.237SC..Hα-helixtrans-105-36.7-170.255.60000114.1P485 L486 W512P485-T489 WeakPolarHBondContact O-CB 3.46Å; P485-T489 WeakPolarHBondContact O-CG2 3.36Å; P485-T489 PolarHBondContact O-N 2.88Å; P485-T489 PolarHBondContact O-OG1 2.97Å; L486-T489 PolarHBondContact O-N 2.87Å; L486-T489 VanDerWaalsContact O-N 3.11Å; L486-T489 PolarHBondContact O-OG1 3.21Å; T489-W512 PolarHBondContact OG1-NE1 3.44Å
490V88.7Confident84.3Confident5 Ų552.1 Ų52.13%0.0327%0.272CS..SBendtrans-107.4123.4-176.1-168.20000109.7Y153 L486 T505Y153-V490 HydrophobicContact CD1-CB 3.97Å; Y153-V490 HydrophobicContact CD1-CG1 3.54Å; Y153-V490 HydrophobicContact CE1-CB 4.11Å; Y153-V490 HydrophobicContact CE1-CG1 4.17Å; Y153-V490 HydrophobicContact CG-CG1 4.22Å; L486-V490 PolarHBondContact O-N 3.47Å; V490-T505 HydrophobicContact CG1-CG2 3.83Å
491P87.2Confident84.6Confident30 Ų3053.4 Ų53.420%0.19528%0.277CS..  trans-75.7127.9173.626.4-25.6000110.7V493 F501 I504 T505P491-V493 PolarHBondContact O-N 3.37Å; P491-F501 HydrophobicContact CB-CB 4.37Å; P491-F501 HydrophobicContact CG-CB 3.86Å; P491-I504 HydrophobicContact CG-CB 4.36Å; P491-I504 HydrophobicContact CG-CG2 4.24Å; P491-T505 WeakPolarHBondContact O-CB 3.31Å; P491-T505 VanDerWaalsContact O-CG2 3.26Å; P491-T505 WeakPolarHBondContact O-CG2 3.21Å; P491-T505 PolarHBondContact O-OG1 3.45Å
492D86.3Confident84.7Confident19 Ų1952.1 Ų52.110%0.10226%0.264CS..  trans-70.5120.9174.6-171.6-26.3000110.5Y153 L462 R494 S498Y153-D492 HydrophobicContact CE1-CB 4.27Å; L462-D492 PolarHBondContact N-OD2 2.99Å; D492-R494 VanDerWaalsContact OD1-CB 3.27Å; D492-R494 WeakPolarHBondContact OD1-CB 3.32Å; D492-R494 WeakPolarHBondContact OD1-CG 3.34Å; D492-R494 IonicContact OD1-CZ 3.97Å; D492-R494 PolarHBondContact OD1-N 3.47Å; D492-R494 IonicContact OD1-NE 3.16Å; D492-R494 PolarHBondContact OD1-NE 3.45Å; D492-R494 VanDerWaalsContact OD1-NE 3.07Å; D492-R494 IonicContact OD1-NH2 2.78Å; D492-R494 IonicContact OD2-CZ 3.37Å; D492-R494 IonicContact OD2-NE 3.13Å; D492-R494 PolarHBondContact OD2-NE 3.29Å; D492-R494 VanDerWaalsContact OD2-NE 3.16Å; D492-R494 IonicContact OD2-NH2 3.21Å; D492-R494 PolarHBondContact OD2-NH2 3.22Å; D492-S498 WeakPolarHBondContact O-CB 3.46Å
493V84.9Confident85Confident4 Ų455 Ų552%0.02428%0.282CS..SBendtrans-80.4-14.1-177.4-710000114.5P156 V160 P491 N495 F502 T505P156-V493 HydrophobicContact CB-CG2 3.61Å; V160-V493 HydrophobicContact CG2-CB 4.29Å; V160-V493 HydrophobicContact CG2-CG2 4.39Å; P491-V493 PolarHBondContact O-N 3.37Å; V493-N495 PolarHBondContact O-N 2.66Å; V493-F502 HydrophobicContact CG1-CB 3.88Å; V493-T505 HydrophobicContact CG1-CG2 3.85Å; V493-T505 VanDerWaalsContact CG1-OG1 3.24Å; V493-T505 WeakPolarHBondContact CG1-OG1 3.47Å; V493-T505 HydrophobicContact CG2-CG2 4.38Å
494R78.7Confident85.5Confident33 Ų3359.4 Ų59.413%0.12530%0.304CS..SBendtrans-65.5-32.2175.1-63.1174.4-72-168.6-7.6110.9E152 P156 P461 D492 P496E152-R494 IonicContact OE1-NH1 3.06Å; E152-R494 IonicContact OE2-CZ 3.37Å; E152-R494 IonicContact OE2-NH1 3.59Å; E152-R494 PolarHBondContact OE2-NH1 3.47Å; E152-R494 IonicContact OE2-NH2 2.81Å; E152-R494 PolarHBondContact OE2-NH2 3.1Å; P156-R494 HydrophobicContact CB-CG 4.32Å; P461-R494 HydrophobicContact CB-CB 4.44Å; D492-R494 VanDerWaalsContact OD1-CB 3.27Å; D492-R494 WeakPolarHBondContact OD1-CB 3.32Å; D492-R494 WeakPolarHBondContact OD1-CG 3.34Å; D492-R494 IonicContact OD1-CZ 3.97Å; D492-R494 PolarHBondContact OD1-N 3.47Å; D492-R494 IonicContact OD1-NE 3.16Å; D492-R494 PolarHBondContact OD1-NE 3.45Å; D492-R494 VanDerWaalsContact OD1-NE 3.07Å; D492-R494 IonicContact OD1-NH2 2.78Å; D492-R494 IonicContact OD2-CZ 3.37Å; D492-R494 IonicContact OD2-NE 3.13Å; D492-R494 PolarHBondContact OD2-NE 3.29Å; D492-R494 VanDerWaalsContact OD2-NE 3.16Å; D492-R494 IonicContact OD2-NH2 3.21Å; D492-R494 PolarHBondContact OD2-NH2 3.22Å; R494-P496 WeakPolarHBondContact O-CD 3.24Å
495N80.8Confident85.8Confident57 Ų5755.9 Ų55.931%0.30529%0.289SS..SBendtrans-67121.5170.7-173.4-39000110.3P461 V493 D497 S498 K499P461-N495 HydrophobicContact CB-CB 4.02Å; P461-N495 HydrophobicContact CG-CB 4.26Å; V493-N495 PolarHBondContact O-N 2.66Å; N495-D497 VanDerWaalsContact C-N 3.25Å; N495-D497 PolarHBondContact O-N 3Å; N495-D497 VanDerWaalsContact O-N 3.17Å; N495-D497 PolarHBondContact OD1-N 2.83Å; N495-D497 VanDerWaalsContact OD1-N 3.08Å; N495-S498 WeakPolarHBondContact O-CA 3.46Å; N495-S498 PolarHBondContact O-N 3.22Å; N495-K499 PolarHBondContact O-N 3.4Å
496P77.1Confident86Confident108 Ų10856.3 Ų56.370%0.70129%0.287SS*.THydrogen-bonded Turntrans-60.6-29.1-174.822.6-34.1000114.1R494 S498R494-P496 WeakPolarHBondContact O-CD 3.24Å; P496-S498 VanDerWaalsContact C-N 3.29Å; P496-S498 PolarHBondContact O-N 3.06Å
497D79.5Confident86.4Confident116 Ų11662.1 Ų62.162%0.6231%0.313SS*.THydrogen-bonded Turntrans-66.2-33.7173.9-89.3-20.7000112.1N495N495-D497 VanDerWaalsContact C-N 3.25Å; N495-D497 PolarHBondContact O-N 3Å; N495-D497 VanDerWaalsContact O-N 3.17Å; N495-D497 PolarHBondContact OD1-N 2.83Å; N495-D497 VanDerWaalsContact OD1-N 3.08Å
498S81Confident86.8Confident31 Ų3158.8 Ų58.822%0.21731%0.305CS..THydrogen-bonded Turntrans-92.3-15.5-174.6-69.60000113.8D492 N495 P496 K500 F501D492-S498 WeakPolarHBondContact O-CB 3.46Å; N495-S498 WeakPolarHBondContact O-CA 3.46Å; N495-S498 PolarHBondContact O-N 3.22Å; P496-S498 VanDerWaalsContact C-N 3.29Å; P496-S498 PolarHBondContact O-N 3.06Å; S498-K500 PolarHBondContact O-N 3.41Å; S498-F501 PolarHBondContact O-N 2.97Å
499K83.3Confident87.2Confident73 Ų7357.9 Ų57.932%0.31730%0.299SS..G310 helixtrans-50.9-23.2176.6-167.6170.6-175.1176.70113.9V160 E163 N495 F501V160-K499 HydrophobicContact CG1-CG 4.04Å; V160-K499 HydrophobicContact CG2-CD 4.5Å; V160-K499 HydrophobicContact CG2-CG 4.05Å; E163-K499 VanDerWaalsContact CD-NZ 3.35Å; E163-K499 IonicContact OE1-NZ 2.66Å; E163-K499 PolarHBondContact OE1-NZ 3.19Å; E163-K499 WeakPolarHBondContact OE2-CE 3.27Å; E163-K499 IonicContact OE2-NZ 2.8Å; E163-K499 PolarHBondContact OE2-NZ 3.04Å; N495-K499 PolarHBondContact O-N 3.4Å; K499-F501 VanDerWaalsContact C-N 3.31Å; K499-F501 PolarHBondContact O-N 2.84Å
500K87.8Confident87.4Confident170 Ų17056.5 Ų56.574%0.73929%0.288SS*.G310 helixtrans-68.8-23.1173.9-64.7171.3-173.9163.80114.2S498S498-K500 PolarHBondContact O-N 3.41Å
501F89.4Confident87.6Confident106 Ų10661.4 Ų61.447%0.46531%0.313SS..G310 helixtrans-95.915.9-177.7-61.6-72.4000113.3P491 S498 K499 V503 I504 T505P491-F501 HydrophobicContact CB-CB 4.37Å; P491-F501 HydrophobicContact CG-CB 3.86Å; S498-F501 PolarHBondContact O-N 2.97Å; K499-F501 VanDerWaalsContact C-N 3.31Å; K499-F501 PolarHBondContact O-N 2.84Å; F501-V503 PolarHBondContact O-N 3.29Å; F501-I504 HydrophobicContact CD1-CD1 3.85Å; F501-I504 WeakPolarHBondContact O-CA 3.37Å; F501-I504 WeakPolarHBondContact O-CB 3.3Å; F501-I504 PolarHBondContact O-N 2.83Å; F501-T505 PolarHBondContact O-N 2.89Å; F501-T505 PolarHBondContact O-OG1 3.5Å
502F89.7Confident88Confident49 Ų4962.5 Ų62.522%0.21531%0.314CS..Hα-helixtrans-51.5-33.2-174.974.5-86.4000114.8V160 I161 V493 T505 F506V160-F502 HydrophobicContact CB-CB 4.06Å; V160-F502 HydrophobicContact CB-CG 4.39Å; V160-F502 HydrophobicContact CG1-CB 3.82Å; V160-F502 HydrophobicContact CG1-CD1 4.05Å; V160-F502 HydrophobicContact CG1-CD2 4.4Å; V160-F502 HydrophobicContact CG1-CG 3.82Å; I161-F502 HydrophobicContact CD1-CD2 4.36Å; I161-F502 HydrophobicContact CG1-CD2 3.62Å; I161-F502 HydrophobicContact CG1-CE2 3.7Å; V493-F502 HydrophobicContact CG1-CB 3.88Å; F502-T505 WeakPolarHBondContact O-CB 3.45Å; F502-T505 PolarHBondContact O-N 2.76Å; F502-F506 VanDerWaalsContact O-CB 3.29Å; F502-F506 WeakPolarHBondContact O-CB 3.2Å; F502-F506 PolarHBondContact O-N 3.45Å
503V91.9Very high88.4Confident69 Ų6961.6 Ų61.642%0.41831%0.309SS..Hα-helixtrans-65.3-40175.1-176.70000111.7F501 F507F501-V503 PolarHBondContact O-N 3.29Å; V503-F507 HydrophobicContact CG1-CD2 3.78Å; V503-F507 HydrophobicContact CG1-CE2 3.68Å; V503-F507 VanDerWaalsContact O-CD2 3.23Å; V503-F507 WeakPolarHBondContact O-CD2 3.48Å; V503-F507 PolarHBondContact O-N 3.46Å; V503-F507 VanDerWaalsContact O-N 3.11Å
504I91.6Very high88.8Confident98 Ų9862.8 Ų62.850%0.50332%0.319SS..Hα-helixtrans-69.2-39.2175.8-55.7-177.1000109.8P491 F501 G508P491-I504 HydrophobicContact CG-CB 4.36Å; P491-I504 HydrophobicContact CG-CG2 4.24Å; F501-I504 HydrophobicContact CD1-CD1 3.85Å; F501-I504 WeakPolarHBondContact O-CA 3.37Å; F501-I504 WeakPolarHBondContact O-CB 3.3Å; F501-I504 PolarHBondContact O-N 2.83Å; I504-G508 WeakPolarHBondContact O-CA 3.49Å; I504-G508 PolarHBondContact O-N 3.35Å
505T91.6Very high89.5Confident0 Ų064.2 Ų64.20%033%0.331CS..Hα-helixtrans-60.3-50.7174.3-50.20000111Y153 A157 V490 P491 V493 F501 F502 G508 S509Y153-T505 HydrophobicContact CD1-CG2 4.46Å; A157-T505 HydrophobicContact CB-CG2 3.97Å; V490-T505 HydrophobicContact CG1-CG2 3.83Å; P491-T505 WeakPolarHBondContact O-CB 3.31Å; P491-T505 VanDerWaalsContact O-CG2 3.26Å; P491-T505 WeakPolarHBondContact O-CG2 3.21Å; P491-T505 PolarHBondContact O-OG1 3.45Å; V493-T505 HydrophobicContact CG1-CG2 3.85Å; V493-T505 VanDerWaalsContact CG1-OG1 3.24Å; V493-T505 WeakPolarHBondContact CG1-OG1 3.47Å; V493-T505 HydrophobicContact CG2-CG2 4.38Å; F501-T505 PolarHBondContact O-N 2.89Å; F501-T505 PolarHBondContact O-OG1 3.5Å; F502-T505 WeakPolarHBondContact O-CB 3.45Å; F502-T505 PolarHBondContact O-N 2.76Å; T505-G508 PolarHBondContact O-N 2.96Å; T505-S509 WeakPolarHBondContact O-CB 3.28Å; T505-S509 PolarHBondContact O-N 3.43Å; T505-S509 PolarHBondContact O-OG 3.04Å
506F91.9Very high90.1Very high43 Ų4362.2 Ų62.219%0.18932%0.319CS..Hα-helixtrans-57.5-52.3-179.5179.8-99.9000112.8F154 A157 L158 I161 F502 S509 I510F154-F506 HydrophobicContact CD2-CD2 4.04Å; F154-F506 HydrophobicContact CD2-CE2 4.21Å; F154-F506 AromaticContact CE2-CD2 3.63Å; F154-F506 HydrophobicContact CE2-CD2 3.63Å; F154-F506 AromaticContact CE2-CE2 3.37Å; F154-F506 HydrophobicContact CE2-CE2 3.37Å; F154-F506 HydrophobicContact CE2-CZ 4.11Å; F154-F506 HydrophobicContact CZ-CE2 4.02Å; A157-F506 HydrophobicContact CB-CB 4.09Å; L158-F506 HydrophobicContact CD2-CD2 4.48Å; L158-F506 HydrophobicContact CD2-CE2 3.8Å; L158-F506 HydrophobicContact CG-CD2 4.45Å; L158-F506 HydrophobicContact CG-CE2 4.16Å; I161-F506 HydrophobicContact CD1-CB 4.31Å; I161-F506 HydrophobicContact CD1-CD2 3.58Å; I161-F506 HydrophobicContact CD1-CE2 3.97Å; I161-F506 HydrophobicContact CD1-CG 3.9Å; F502-F506 VanDerWaalsContact O-CB 3.29Å; F502-F506 WeakPolarHBondContact O-CB 3.2Å; F502-F506 PolarHBondContact O-N 3.45Å; F506-S509 PolarHBondContact O-OG 3.42Å; F506-I510 HydrophobicContact CD1-CD1 3.9Å; F506-I510 HydrophobicContact CE1-CD1 3.51Å; F506-I510 HydrophobicContact CE2-CD1 4.3Å; F506-I510 HydrophobicContact CG-CD1 4.44Å; F506-I510 HydrophobicContact CZ-CD1 3.74Å; F506-I510 WeakPolarHBondContact O-CB 3.45Å; F506-I510 VanDerWaalsContact O-CG1 3.3Å; F506-I510 WeakPolarHBondContact O-CG1 3.3Å; F506-I510 PolarHBondContact O-N 3.27Å; F506-I510 VanDerWaalsContact O-N 3.12Å
507F93.3Very high90.9Very high121 Ų12157 Ų5753%0.53129%0.286SS..Hα-helixtrans-71.5-31.5176.9-70.7-62.4000112.8V503 I510 I511V503-F507 HydrophobicContact CG1-CD2 3.78Å; V503-F507 HydrophobicContact CG1-CE2 3.68Å; V503-F507 VanDerWaalsContact O-CD2 3.23Å; V503-F507 WeakPolarHBondContact O-CD2 3.48Å; V503-F507 PolarHBondContact O-N 3.46Å; V503-F507 VanDerWaalsContact O-N 3.11Å; F507-I510 HydrophobicContact CD1-CD1 4.36Å; F507-I510 PolarHBondContact O-N 2.91Å; F507-I511 WeakPolarHBondContact O-CG1 3.45Å; F507-I511 PolarHBondContact O-N 3.5Å; F507-I511 VanDerWaalsContact O-N 3.11Å
508G93.1Very high91.6Very high15 Ų1554.4 Ų54.416%0.15527%0.268CS..Hα-helixtrans-66.4-44.2176.400000112.8I504 T505 I511 W512I504-G508 WeakPolarHBondContact O-CA 3.49Å; I504-G508 PolarHBondContact O-N 3.35Å; T505-G508 PolarHBondContact O-N 2.96Å; G508-I511 PolarHBondContact O-N 2.89Å; G508-W512 VanDerWaalsContact O-CD1 3.3Å; G508-W512 PolarHBondContact O-N 3.32Å; G508-W512 VanDerWaalsContact O-N 3.16Å
509S93.8Very high92.1Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-66.7-40.1174.557.20000111.4F154 T505 F506 I511 W512 I513F154-S509 WeakPolarHBondContact CD2-OG 3.25Å; T505-S509 WeakPolarHBondContact O-CB 3.28Å; T505-S509 PolarHBondContact O-N 3.43Å; T505-S509 PolarHBondContact O-OG 3.04Å; F506-S509 PolarHBondContact O-OG 3.42Å; S509-I511 VanDerWaalsContact C-N 3.31Å; S509-I511 PolarHBondContact O-N 2.92Å; S509-W512 PolarHBondContact O-N 2.9Å; S509-W512 VanDerWaalsContact O-N 3.12Å; S509-I513 VanDerWaalsContact O-CG1 3.28Å; S509-I513 WeakPolarHBondContact O-CG1 3.44Å; S509-I513 PolarHBondContact O-N 3.01Å
510I93.5Very high92.6Very high40 Ų4051.5 Ų51.521%0.20525%0.253CS..Hα-helixtrans-53.8-46.2172.8-80.5169.3000111.8F154 F187 F506 F507 W512 I513 A514F154-I510 HydrophobicContact CD2-CG1 4.29Å; F154-I510 HydrophobicContact CE2-CD1 3.98Å; F154-I510 HydrophobicContact CE2-CG1 3.68Å; F154-I510 HydrophobicContact CZ-CG1 4.34Å; F187-I510 HydrophobicContact CE2-CG2 4.37Å; F187-I510 HydrophobicContact CZ-CG2 3.78Å; F506-I510 HydrophobicContact CD1-CD1 3.9Å; F506-I510 HydrophobicContact CE1-CD1 3.51Å; F506-I510 HydrophobicContact CE2-CD1 4.3Å; F506-I510 HydrophobicContact CG-CD1 4.44Å; F506-I510 HydrophobicContact CZ-CD1 3.74Å; F506-I510 WeakPolarHBondContact O-CB 3.45Å; F506-I510 VanDerWaalsContact O-CG1 3.3Å; F506-I510 WeakPolarHBondContact O-CG1 3.3Å; F506-I510 PolarHBondContact O-N 3.27Å; F506-I510 VanDerWaalsContact O-N 3.12Å; F507-I510 HydrophobicContact CD1-CD1 4.36Å; F507-I510 PolarHBondContact O-N 2.91Å; I510-W512 PolarHBondContact O-N 3.43Å; I510-I513 PolarHBondContact O-N 3.38Å; I510-A514 PolarHBondContact O-N 3.15Å
511I93.9Very high92.8Very high108 Ų10843.5 Ų43.555%0.55422%0.219SC*.Hα-helixtrans-63.5-42.1178-68.6163.8000111F507 G508 S509 A514 V515F507-I511 WeakPolarHBondContact O-CG1 3.45Å; F507-I511 PolarHBondContact O-N 3.5Å; F507-I511 VanDerWaalsContact O-N 3.11Å; G508-I511 PolarHBondContact O-N 2.89Å; S509-I511 VanDerWaalsContact C-N 3.31Å; S509-I511 PolarHBondContact O-N 2.92Å; I511-A514 PolarHBondContact O-N 3.46Å; I511-V515 WeakPolarHBondContact O-CG2 3.36Å; I511-V515 PolarHBondContact O-N 2.75Å
512W94.8Very high92.9Very high53 Ų5340.3 Ų40.320%0.20120%0.204CC..Hα-helixtrans-69.8-36.6178.3-82.7109.2000113.6V149 P485 L486 T489 G508 S509 I510 V515 F516V149-W512 HydrophobicContact CG1-CB 4.1Å; V149-W512 HydrophobicContact CG2-CB 4.16Å; P485-W512 HydrophobicContact CB-CH2 3.48Å; P485-W512 VanDerWaalsContact CB-CH2 3.48Å; P485-W512 HydrophobicContact CB-CZ2 3.6Å; P485-W512 HydrophobicContact CB-CZ3 4.48Å; P485-W512 HydrophobicContact CG-CH2 4.49Å; L486-W512 HydrophobicContact CD2-CB 3.84Å; L486-W512 HydrophobicContact CD2-CD2 3.61Å; L486-W512 HydrophobicContact CD2-CE3 4.26Å; L486-W512 HydrophobicContact CD2-CG 3.4Å; T489-W512 PolarHBondContact OG1-NE1 3.44Å; G508-W512 VanDerWaalsContact O-CD1 3.3Å; G508-W512 PolarHBondContact O-N 3.32Å; G508-W512 VanDerWaalsContact O-N 3.16Å; S509-W512 PolarHBondContact O-N 2.9Å; S509-W512 VanDerWaalsContact O-N 3.12Å; I510-W512 PolarHBondContact O-N 3.43Å; W512-V515 HydrophobicContact CE3-CG1 4.39Å; W512-V515 HydrophobicContact CZ3-CG1 4.41Å; W512-V515 PolarHBondContact O-N 3.16Å; W512-F516 HydrophobicContact CB-CD2 4.47Å; W512-F516 HydrophobicContact CB-CE2 4.34Å; W512-F516 HydrophobicContact CD2-CE2 4.39Å; W512-F516 HydrophobicContact CD2-CZ 4.49Å; W512-F516 HydrophobicContact CE3-CD2 4.34Å; W512-F516 HydrophobicContact CE3-CE1 4.02Å; W512-F516 AromaticContact CE3-CE2 3.68Å; W512-F516 HydrophobicContact CE3-CE2 3.68Å; W512-F516 AromaticContact CE3-CZ 3.48Å; W512-F516 HydrophobicContact CE3-CZ 3.48Å; W512-F516 VanDerWaalsContact CE3-CZ 3.48Å; W512-F516 HydrophobicContact CZ3-CE1 4.03Å; W512-F516 HydrophobicContact CZ3-CE2 4.38Å; W512-F516 AromaticContact CZ3-CZ 3.72Å; W512-F516 HydrophobicContact CZ3-CZ 3.72Å; W512-F516 WeakPolarHBondContact O-CB 3.5Å; W512-F516 WeakPolarHBondContact O-CD2 3.33Å; W512-F516 WeakPolarHBondContact O-CG 3.2Å; W512-F516 PolarHBondContact O-N 3.46Å
513I94.4Very high93Very high0 Ų040.7 Ų40.70%020%0.203CC..Hα-helixtrans-60.8-48.5171.8-64.4162.6000109L146 V149 F154 A183 F187 S509 I510 V515 F516 S517L146-I513 HydrophobicContact CD2-CB 4.47Å; L146-I513 HydrophobicContact CD2-CG2 3.97Å; V149-I513 HydrophobicContact CB-CG1 4.2Å; V149-I513 HydrophobicContact CG1-CD1 4.19Å; V149-I513 HydrophobicContact CG1-CG1 3.64Å; F154-I513 HydrophobicContact CB-CD1 4.1Å; F154-I513 HydrophobicContact CD1-CD1 4.05Å; F154-I513 HydrophobicContact CG-CD1 3.98Å; A183-I513 HydrophobicContact CB-CD1 3.97Å; A183-I513 HydrophobicContact CB-CG2 4.49Å; F187-I513 HydrophobicContact CB-CG2 4.16Å; F187-I513 HydrophobicContact CD2-CB 4.14Å; F187-I513 HydrophobicContact CD2-CG2 3.48Å; F187-I513 VanDerWaalsContact CD2-CG2 3.48Å; F187-I513 HydrophobicContact CE2-CG2 4.3Å; F187-I513 HydrophobicContact CG-CG2 4.05Å; S509-I513 VanDerWaalsContact O-CG1 3.28Å; S509-I513 WeakPolarHBondContact O-CG1 3.44Å; S509-I513 PolarHBondContact O-N 3.01Å; I510-I513 PolarHBondContact O-N 3.38Å; I513-V515 PolarHBondContact O-N 3.3Å; I513-F516 PolarHBondContact O-N 2.92Å; I513-S517 WeakPolarHBondContact O-CB 3.47Å; I513-S517 PolarHBondContact O-N 3.38Å; I513-S517 PolarHBondContact O-OG 3.4Å
514A93.4Very high93Very high28 Ų2837.5 Ų37.523%0.23118%0.184CC..Hα-helixtrans-57.8-43.5176.800000113.3F187 I510 I511 Y518F187-A514 HydrophobicContact CD1-CB 3.58Å; F187-A514 HydrophobicContact CE1-CB 3.79Å; F187-A514 HydrophobicContact CG-CB 4.26Å; I510-A514 PolarHBondContact O-N 3.15Å; I511-A514 PolarHBondContact O-N 3.46Å; A514-Y518 WeakPolarHBondContact O-CB 3.31Å; A514-Y518 PolarHBondContact O-N 3.43Å
515V93.7Very high92.9Very high63 Ų6333.4 Ų33.438%0.38216%0.163SC..Hα-helixtrans-64.4-44.6176.7168.20000111.7I511 W512 I513 Y518 L519I511-V515 WeakPolarHBondContact O-CG2 3.36Å; I511-V515 PolarHBondContact O-N 2.75Å; W512-V515 HydrophobicContact CE3-CG1 4.39Å; W512-V515 HydrophobicContact CZ3-CG1 4.41Å; W512-V515 PolarHBondContact O-N 3.16Å; I513-V515 PolarHBondContact O-N 3.3Å; V515-Y518 PolarHBondContact O-N 3.27Å; V515-L519 HydrophobicContact CG1-CD1 4.47Å; V515-L519 WeakPolarHBondContact O-CG 3.36Å; V515-L519 PolarHBondContact O-N 3.05Å
516F94.4Very high92.8Very high15 Ų1533.8 Ų33.87%0.06617%0.165CC..Hα-helixtrans-72.3-39.8179.9-69.2-41.7000112.1V142 A145 L146 V149 I482 L486 W512 I513 Y518 L519 M520V142-F516 HydrophobicContact CG1-CB 4.04Å; V142-F516 WeakPolarHBondContact CG1-O 3.45Å; A145-F516 HydrophobicContact CB-CD1 4.03Å; A145-F516 HydrophobicContact CB-CD2 3.9Å; A145-F516 HydrophobicContact CB-CE1 3.98Å; A145-F516 HydrophobicContact CB-CE2 3.83Å; A145-F516 HydrophobicContact CB-CG 4.02Å; A145-F516 HydrophobicContact CB-CZ 3.88Å; L146-F516 HydrophobicContact CD2-CB 3.6Å; L146-F516 HydrophobicContact CG-CB 3.73Å; V149-F516 HydrophobicContact CG2-CD2 3.87Å; V149-F516 HydrophobicContact CG2-CE2 3.62Å; I482-F516 HydrophobicContact CG2-CZ 4.25Å; L486-F516 HydrophobicContact CD1-CE2 4.44Å; L486-F516 HydrophobicContact CD2-CE2 4.26Å; W512-F516 HydrophobicContact CB-CD2 4.47Å; W512-F516 HydrophobicContact CB-CE2 4.34Å; W512-F516 HydrophobicContact CD2-CE2 4.39Å; W512-F516 HydrophobicContact CD2-CZ 4.49Å; W512-F516 HydrophobicContact CE3-CD2 4.34Å; W512-F516 HydrophobicContact CE3-CE1 4.02Å; W512-F516 AromaticContact CE3-CE2 3.68Å; W512-F516 HydrophobicContact CE3-CE2 3.68Å; W512-F516 AromaticContact CE3-CZ 3.48Å; W512-F516 HydrophobicContact CE3-CZ 3.48Å; W512-F516 VanDerWaalsContact CE3-CZ 3.48Å; W512-F516 HydrophobicContact CZ3-CE1 4.03Å; W512-F516 HydrophobicContact CZ3-CE2 4.38Å; W512-F516 AromaticContact CZ3-CZ 3.72Å; W512-F516 HydrophobicContact CZ3-CZ 3.72Å; W512-F516 WeakPolarHBondContact O-CB 3.5Å; W512-F516 WeakPolarHBondContact O-CD2 3.33Å; W512-F516 WeakPolarHBondContact O-CG 3.2Å; W512-F516 PolarHBondContact O-N 3.46Å; I513-F516 PolarHBondContact O-N 2.92Å; F516-Y518 VanDerWaalsContact C-N 3.32Å; F516-Y518 PolarHBondContact O-N 3.47Å; F516-L519 HydrophobicContact CD1-CD1 4.44Å; F516-L519 PolarHBondContact O-N 3.38Å; F516-M520 VanDerWaalsContact O-CB 3.31Å; F516-M520 WeakPolarHBondContact O-CB 3.3Å; F516-M520 PolarHBondContact O-N 2.92Å
517S93.3Very high92.8Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-59.6-40.8171.7-66.90000111.6F187 I513 M520 V521F187-S517 WeakPolarHBondContact CB-OG 3.36Å; I513-S517 WeakPolarHBondContact O-CB 3.47Å; I513-S517 PolarHBondContact O-N 3.38Å; I513-S517 PolarHBondContact O-OG 3.4Å; S517-M520 WeakPolarHBondContact O-CB 3.34Å; S517-M520 PolarHBondContact O-N 2.87Å; S517-V521 VanDerWaalsContact O-CG2 3.27Å; S517-V521 WeakPolarHBondContact O-CG2 3.42Å; S517-V521 PolarHBondContact O-N 2.89Å
518Y93.1Very high92.7Very high60 Ų6026.3 Ų26.324%0.23513%0.133CC..Hα-helixtrans-58.9-49.4173.6171.7-104.1000112.6Y117 P118 I191 I195 A514 V515 F516 M520 V521 W522Y117-Y518 HydrophobicContact CD1-CE2 4.43Å; P118-Y518 WeakPolarHBondContact CD-OH 3.14Å; P118-Y518 WeakPolarHBondContact CG-OH 3.49Å; I191-Y518 HydrophobicContact CD1-CD2 4.2Å; I191-Y518 HydrophobicContact CG2-CD2 4.37Å; I195-Y518 HydrophobicContact CD1-CD2 3.82Å; I195-Y518 HydrophobicContact CD1-CE2 3.97Å; I195-Y518 HydrophobicContact CG2-CE2 4.2Å; A514-Y518 WeakPolarHBondContact O-CB 3.31Å; A514-Y518 PolarHBondContact O-N 3.43Å; V515-Y518 PolarHBondContact O-N 3.27Å; F516-Y518 VanDerWaalsContact C-N 3.32Å; F516-Y518 PolarHBondContact O-N 3.47Å; Y518-M520 VanDerWaalsContact C-N 3.32Å; Y518-M520 PolarHBondContact O-N 2.9Å; Y518-V521 PolarHBondContact O-N 3.49Å; Y518-W522 WeakPolarHBondContact O-CB 3.41Å; Y518-W522 PolarHBondContact O-N 2.85Å
519L92.9Very high92.5Very high44 Ų4428 Ų2823%0.2314%0.137CC..Hα-helixtrans-63.7-37.9178.1-67.7174.8000112.2V142 V515 F516 W522 W523V142-L519 HydrophobicContact CG1-CB 4.43Å; V142-L519 HydrophobicContact CG2-CB 4.29Å; V515-L519 HydrophobicContact CG1-CD1 4.47Å; V515-L519 WeakPolarHBondContact O-CG 3.36Å; V515-L519 PolarHBondContact O-N 3.05Å; F516-L519 HydrophobicContact CD1-CD1 4.44Å; F516-L519 PolarHBondContact O-N 3.38Å; L519-W522 HydrophobicContact CD2-CE3 4.03Å; L519-W522 HydrophobicContact CD2-CZ3 4.27Å; L519-W523 WeakPolarHBondContact O-CB 3.48Å; L519-W523 PolarHBondContact O-N 3.31Å
520M92.6Very high92.3Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-60.4-53.6176.6-174.5-172.875.500111.3V142 F143 L146 T188 F516 S517 Y518 W523 A524 L543 T547V142-M520 HydrophobicContact CG1-CB 3.77Å; F143-M520 HydrophobicContact CD1-CG 4.35Å; F143-M520 HydrophobicContact CD1-SD 3.63Å; F143-M520 HydrophobicContact CE1-CE 4.47Å; F143-M520 HydrophobicContact CE1-CG 3.89Å; F143-M520 HydrophobicContact CE1-SD 3.16Å; F143-M520 WeakPolarHBondContact CE1-SD 3.32Å; F143-M520 HydrophobicContact CZ-CG 4.01Å; F143-M520 HydrophobicContact CZ-SD 3.85Å; L146-M520 HydrophobicContact CD1-CB 4.36Å; L146-M520 HydrophobicContact CD1-CE 4.42Å; L146-M520 HydrophobicContact CD1-CG 4.42Å; L146-M520 HydrophobicContact CD1-SD 3.4Å; L146-M520 WeakPolarHBondContact CD1-SD 3.23Å; T188-M520 HydrophobicContact CG2-CE 4.21Å; T188-M520 WeakPolarHBondContact OG1-CE 3.29Å; F516-M520 VanDerWaalsContact O-CB 3.31Å; F516-M520 WeakPolarHBondContact O-CB 3.3Å; F516-M520 PolarHBondContact O-N 2.92Å; S517-M520 WeakPolarHBondContact O-CB 3.34Å; S517-M520 PolarHBondContact O-N 2.87Å; Y518-M520 VanDerWaalsContact C-N 3.32Å; Y518-M520 PolarHBondContact O-N 2.9Å; M520-W523 PolarHBondContact O-N 3.21Å; M520-A524 VanDerWaalsContact O-CB 3.28Å; M520-A524 WeakPolarHBondContact O-CB 3.12Å; M520-A524 PolarHBondContact O-N 3.37Å; M520-L543 HydrophobicContact CE-CD2 4.04Å; M520-L543 HydrophobicContact CE-CG 4.16Å; M520-T547 HydrophobicContact CE-CG2 3.86Å; M520-T547 HydrophobicContact SD-CG2 3.97Å
521V91.8Very high92.1Very high2 Ų231.1 Ų31.11%0.01215%0.154CC..Hα-helixtrans-66.5-40.7-178.8-174.90000110.6Y117 T188 I191 V200 S517 Y518 A524 H525 L543Y117-V521 VanDerWaalsContact OH-CG1 3.23Å; Y117-V521 WeakPolarHBondContact OH-CG1 3.45Å; T188-V521 HydrophobicContact CG2-CG2 3.79Å; I191-V521 HydrophobicContact CG2-CB 4.18Å; I191-V521 HydrophobicContact CG2-CG1 4.35Å; I191-V521 HydrophobicContact CG2-CG2 4.32Å; V200-V521 HydrophobicContact CG1-CG1 4.15Å; V200-V521 HydrophobicContact CG2-CG1 4.26Å; S517-V521 VanDerWaalsContact O-CG2 3.27Å; S517-V521 WeakPolarHBondContact O-CG2 3.42Å; S517-V521 PolarHBondContact O-N 2.89Å; Y518-V521 PolarHBondContact O-N 3.49Å; V521-A524 PolarHBondContact O-N 3.48Å; V521-H525 PolarHBondContact O-N 2.9Å; V521-L543 HydrophobicContact CG2-CD2 3.88Å
522W91.5Very high91.8Very high39 Ų3928.7 Ų28.715%0.14816%0.155CC..Hα-helixtrans-60-49.3176.6177.637.3000112.2Y117 P118 Y518 L519 H525 Q526Y117-W522 HydrophobicContact CD1-CB 3.78Å; Y117-W522 AromaticContact CD1-CD1 3.46Å; Y117-W522 VanDerWaalsContact CD1-CD1 3.46Å; Y117-W522 AromaticContact CD1-CG 3.82Å; Y117-W522 HydrophobicContact CD1-CG 3.82Å; Y117-W522 HydrophobicContact CE1-CB 3.89Å; Y117-W522 HydrophobicContact CE1-CG 4.42Å; Y117-W522 AromaticContact CG-CD1 3.54Å; Y117-W522 HydrophobicContact CG-CG 4.34Å; P118-W522 HydrophobicContact CB-CH2 4.3Å; P118-W522 HydrophobicContact CB-CZ2 3.86Å; P118-W522 HydrophobicContact CG-CH2 4.46Å; P118-W522 HydrophobicContact CG-CZ2 4.2Å; P118-W522 PolarHBondContact O-NE1 3.36Å; Y518-W522 WeakPolarHBondContact O-CB 3.41Å; Y518-W522 PolarHBondContact O-N 2.85Å; L519-W522 HydrophobicContact CD2-CE3 4.03Å; L519-W522 HydrophobicContact CD2-CZ3 4.27Å; W522-H525 WeakPolarHBondContact O-CB 3.35Å; W522-H525 PolarHBondContact O-N 3.14Å; W522-Q526 WeakPolarHBondContact O-CG 3.17Å; W522-Q526 PolarHBondContact O-N 2.91Å; W522-Q526 VanDerWaalsContact O-N 3.09Å
523W92.2Very high91.5Very high56 Ų5628.8 Ų28.821%0.21216%0.159CC..Hα-helixtrans-69-33.6177.8-71.6-23.4000113H135 G138 M139 V142 L519 M520 H525 Q526 V527H135-W523 AromaticContact CD2-CD1 3.69Å; G138-W523 VanDerWaalsContact CA-CZ3 3.45Å; G138-W523 WeakPolarHBondContact O-CZ3 3.4Å; M139-W523 HydrophobicContact CB-CB 4.46Å; V142-W523 HydrophobicContact CB-CZ3 4.34Å; V142-W523 HydrophobicContact CG2-CE3 4.1Å; V142-W523 HydrophobicContact CG2-CH2 4.34Å; V142-W523 HydrophobicContact CG2-CZ3 3.47Å; V142-W523 VanDerWaalsContact CG2-CZ3 3.47Å; L519-W523 WeakPolarHBondContact O-CB 3.48Å; L519-W523 PolarHBondContact O-N 3.31Å; M520-W523 PolarHBondContact O-N 3.21Å; W523-H525 VanDerWaalsContact C-N 3.34Å; W523-Q526 PolarHBondContact O-N 2.99Å; W523-V527 WeakPolarHBondContact O-CG2 3.26Å; W523-V527 PolarHBondContact O-N 3.14Å
524A91.7Very high91.1Very high2 Ų229.6 Ų29.62%0.01717%0.165CC..Hα-helixtrans-65.1-36.5172.700000112.5M139 M520 V521 V527 G528 M538 L543M139-A524 HydrophobicContact SD-CB 4.01Å; M520-A524 VanDerWaalsContact O-CB 3.28Å; M520-A524 WeakPolarHBondContact O-CB 3.12Å; M520-A524 PolarHBondContact O-N 3.37Å; V521-A524 PolarHBondContact O-N 3.48Å; A524-V527 PolarHBondContact O-N 3.35Å; A524-G528 PolarHBondContact O-N 3.4Å; A524-M538 HydrophobicContact CB-CG 3.92Å; A524-M538 HydrophobicContact CB-SD 4.49Å; A524-L543 HydrophobicContact CB-CD1 3.54Å; A524-L543 HydrophobicContact CB-CG 4.41Å
525H89.8Confident90.7Very high12 Ų1229 Ų296%0.05616%0.157CC..Hα-helixtrans-60.5-47.9169.9174.786000111.3S113 Y117 V521 W522 W523 V527 G528 E529 E535S113-H525 PolarHBondContact OG-CE1 2.91Å; S113-H525 PolarHBondContact OG-NE2 3.39Å; Y117-H525 HydrophobicContact CD2-CB 4.41Å; Y117-H525 AromaticContact CD2-CD2 3.89Å; Y117-H525 AromaticContact CD2-CG 3.98Å; Y117-H525 HydrophobicContact CE2-CB 3.97Å; Y117-H525 AromaticContact CE2-CG 3.8Å; V521-H525 PolarHBondContact O-N 2.9Å; W522-H525 WeakPolarHBondContact O-CB 3.35Å; W522-H525 PolarHBondContact O-N 3.14Å; W523-H525 VanDerWaalsContact C-N 3.34Å; H525-V527 VanDerWaalsContact C-N 3.28Å; H525-V527 PolarHBondContact O-N 3.4Å; H525-G528 PolarHBondContact O-N 3.49Å; H525-E529 WeakPolarHBondContact O-CB 3.49Å; H525-E529 PolarHBondContact O-N 3.4Å; H525-E535 IonicContact CE1-OE1 2.78Å; H525-E535 PolarHBondContact CE1-OE1 3.29Å; H525-E535 IonicContact CG-OE1 3.89Å; H525-E535 IonicContact ND1-OE1 3.96Å; H525-E535 PolarHBondContact ND1-OE1 2.97Å
526Q90.9Very high90.3Very high9 Ų927.6 Ų27.64%0.04215%0.146CC..Hα-helixtrans-59.9-37.2176.8-59.7-51-41.200112.5R127 W522 W523 T530R127-Q526 PolarHBondContact NH1-O 2.84Å; R127-Q526 VanDerWaalsContact NH2-OE1 3.08Å; W522-Q526 WeakPolarHBondContact O-CG 3.17Å; W522-Q526 PolarHBondContact O-N 2.91Å; W522-Q526 VanDerWaalsContact O-N 3.09Å; W523-Q526 PolarHBondContact O-N 2.99Å; Q526-T530 WeakPolarHBondContact O-CB 3.41Å; Q526-T530 PolarHBondContact O-N 2.96Å; Q526-T530 PolarHBondContact O-OG1 2.91Å
527V91.8Very high90.1Very high4 Ų427.5 Ų27.52%0.02415%0.147CC..Hα-helixtrans-69.4-45.9175172.60000111V132 H135 I136 W523 A524 H525 T530 I531 M538V132-V527 HydrophobicContact CG2-CG2 4.16Å; H135-V527 HydrophobicContact CB-CG2 3.72Å; I136-V527 HydrophobicContact CG1-CG1 4.11Å; I136-V527 HydrophobicContact CG1-CG2 3.79Å; W523-V527 WeakPolarHBondContact O-CG2 3.26Å; W523-V527 PolarHBondContact O-N 3.14Å; A524-V527 PolarHBondContact O-N 3.35Å; H525-V527 VanDerWaalsContact C-N 3.28Å; H525-V527 PolarHBondContact O-N 3.4Å; V527-T530 PolarHBondContact O-N 3.4Å; V527-I531 HydrophobicContact CG1-CD1 3.63Å; V527-I531 HydrophobicContact CG1-CG1 4.47Å; V527-I531 WeakPolarHBondContact O-CG1 3.49Å; V527-I531 PolarHBondContact O-N 3.34Å; V527-M538 HydrophobicContact CG1-CE 4.35Å
528G90.3Very high89.9Confident3 Ų327.7 Ų27.73%0.03115%0.147CC..Hα-helixtrans-58.3-51.8178.400000112.8A524 H525 T530 I531 G532 I533A524-G528 PolarHBondContact O-N 3.4Å; H525-G528 PolarHBondContact O-N 3.49Å; G528-T530 VanDerWaalsContact C-N 3.29Å; G528-T530 PolarHBondContact O-N 3.17Å; G528-I531 PolarHBondContact O-N 3.32Å; G528-G532 WeakPolarHBondContact O-CA 3.45Å; G528-G532 PolarHBondContact O-N 3.3Å; G528-I533 CarbonylContact C-O 3.54Å; G528-I533 PolarHBondContact O-N 2.96Å
529E88.4Confident89.8Confident49 Ų4924.8 Ų24.823%0.22914%0.136CC..Hα-helixtrans-57.7-41.1176.2-173.9-166.4-147.600112R127 H525R127-E529 IonicContact CZ-OE2 3.07Å; R127-E529 VanDerWaalsContact CZ-OE2 3.22Å; R127-E529 IonicContact NH1-OE2 3.92Å; R127-E529 PolarHBondContact NH1-OE2 3.27Å; R127-E529 IonicContact NH2-OE2 2.69Å; R127-E529 PolarHBondContact NH2-OE2 3.48Å; H525-E529 WeakPolarHBondContact O-CB 3.49Å; H525-E529 PolarHBondContact O-N 3.4Å
530T90.3Very high89.7Confident8 Ų823.5 Ų23.55%0.04913%0.129CC..Hα-helixtrans-62.8-48.2179.5-550000111.2R127 R128 V132 Q526 V527 G528R127-T530 HydrophobicContact CB-CG2 3.82Å; R127-T530 WeakPolarHBondContact CB-OG1 3.17Å; R127-T530 PolarHBondContact NH1-OG1 3.48Å; R128-T530 HydrophobicContact CB-CG2 4.45Å; R128-T530 HydrophobicContact CG-CG2 3.59Å; R128-T530 PolarHBondContact NE-O 3.23Å; R128-T530 PolarHBondContact NH2-O 3.47Å; V132-T530 HydrophobicContact CB-CG2 3.96Å; V132-T530 HydrophobicContact CG1-CG2 4.43Å; V132-T530 HydrophobicContact CG2-CG2 3.91Å; Q526-T530 WeakPolarHBondContact O-CB 3.41Å; Q526-T530 PolarHBondContact O-N 2.96Å; Q526-T530 PolarHBondContact O-OG1 2.91Å; V527-T530 PolarHBondContact O-N 3.4Å; G528-T530 VanDerWaalsContact C-N 3.29Å; G528-T530 PolarHBondContact O-N 3.17Å
531I89.8Confident89.6Confident99 Ų9924.8 Ų24.851%0.50814%0.137SC..Hα-helixtrans-76.8-29-176.6-58.9171.2000111.2V527 G528 I533V527-I531 HydrophobicContact CG1-CD1 3.63Å; V527-I531 HydrophobicContact CG1-CG1 4.47Å; V527-I531 WeakPolarHBondContact O-CG1 3.49Å; V527-I531 PolarHBondContact O-N 3.34Å; G528-I531 PolarHBondContact O-N 3.32Å; I531-I533 HydrophobicContact CB-CD1 4.3Å; I531-I533 HydrophobicContact CB-CG1 4.35Å; I531-I533 HydrophobicContact CG2-CD1 3.63Å; I531-I533 HydrophobicContact CG2-CG1 3.83Å
532G87.1Confident89.7Confident57 Ų5728 Ų2859%0.58815%0.153SC*.THydrogen-bonded Turntrans88.432-172.600000113.5G528G528-G532 WeakPolarHBondContact O-CA 3.45Å; G528-G532 PolarHBondContact O-N 3.3Å
533I87.7Confident89.8Confident55 Ų5526.1 Ų26.128%0.28215%0.146SC..  trans-104138.8175.9-65172.9000108.3G528 I531 I537 M538G528-I533 CarbonylContact C-O 3.54Å; G528-I533 PolarHBondContact O-N 2.96Å; I531-I533 HydrophobicContact CB-CD1 4.3Å; I531-I533 HydrophobicContact CB-CG1 4.35Å; I531-I533 HydrophobicContact CG2-CD1 3.63Å; I531-I533 HydrophobicContact CG2-CG1 3.83Å; I533-I537 HydrophobicContact CG2-CB 3.65Å; I533-I537 HydrophobicContact CG2-CD1 4.44Å; I533-I537 HydrophobicContact CG2-CG2 3.5Å; I533-I537 VanDerWaalsContact CG2-CG2 3.5Å; I533-M538 HydrophobicContact CB-CE 4.32Å; I533-M538 HydrophobicContact CG2-CE 4.2Å
534S86.8Confident89.8Confident17 Ų1723.5 Ų23.512%0.11914%0.137CC..  trans-67.8155.2179.167.40000113.1Y111 E536 I537 M538Y111-S534 VanDerWaalsContact OH-CA 3.29Å; Y111-S534 WeakPolarHBondContact OH-CA 3.31Å; Y111-S534 WeakPolarHBondContact OH-CB 3.27Å; S534-E536 PolarHBondContact O-N 3.34Å; S534-I537 PolarHBondContact O-N 2.92Å; S534-I537 WeakPolarHBondContact OG-CD1 3.42Å; S534-I537 VanDerWaalsContact OG-CG1 3.3Å; S534-I537 WeakPolarHBondContact OG-CG1 3.25Å; S534-I537 PolarHBondContact OG-N 3.34Å; S534-M538 WeakPolarHBondContact O-CB 3.28Å; S534-M538 PolarHBondContact O-N 3.45Å
535E85.1Confident89.8Confident14 Ų1424.5 Ų24.57%0.06515%0.145CC..Hα-helixtrans-60.1-34.9173.7-71.3-178.2-146.900111.7Y111 S198 V200 H525 M538 G539Y111-E535 HydrophobicContact CE1-CG 4.37Å; Y111-E535 PolarHBondContact OH-N 3.25Å; S198-E535 VanDerWaalsContact CB-OE2 3.27Å; S198-E535 WeakPolarHBondContact CB-OE2 3.3Å; S198-E535 PolarHBondContact OG-OE2 3.47Å; V200-E535 HydrophobicContact CB-CB 4.25Å; H525-E535 IonicContact CE1-OE1 2.78Å; H525-E535 PolarHBondContact CE1-OE1 3.29Å; H525-E535 IonicContact CG-OE1 3.89Å; H525-E535 IonicContact ND1-OE1 3.96Å; H525-E535 PolarHBondContact ND1-OE1 2.97Å; E535-M538 PolarHBondContact O-N 3.1Å; E535-G539 PolarHBondContact O-N 3.41Å
536E85.8Confident89.8Confident35 Ų3524.4 Ų24.416%0.16415%0.147CC..Hα-helixtrans-62-48.5174.7-7177.2-170.400112.1N199 S534 G539 L540 E654N199-E536 HydrophobicContact CB-CG 4.01Å; N199-E536 PolarHBondContact ND2-OE1 2.97Å; N199-E536 VanDerWaalsContact ND2-OE1 3.16Å; S534-E536 PolarHBondContact O-N 3.34Å; E536-G539 PolarHBondContact O-N 3.06Å; E536-L540 WeakPolarHBondContact O-CB 3.47Å; E536-L540 PolarHBondContact O-N 3.38Å; E536-E654 HydrophobicContact CB-CG 4.24Å
537I88.5Confident89.8Confident13 Ų1324.2 Ų24.27%0.06715%0.147CC..Hα-helixtrans-65.9-42.7175.7-66.6165.4000110.2I533 S534 G539 L540 T541 V651 E654I533-I537 HydrophobicContact CG2-CB 3.65Å; I533-I537 HydrophobicContact CG2-CD1 4.44Å; I533-I537 HydrophobicContact CG2-CG2 3.5Å; I533-I537 VanDerWaalsContact CG2-CG2 3.5Å; S534-I537 PolarHBondContact O-N 2.92Å; S534-I537 WeakPolarHBondContact OG-CD1 3.42Å; S534-I537 VanDerWaalsContact OG-CG1 3.3Å; S534-I537 WeakPolarHBondContact OG-CG1 3.25Å; S534-I537 PolarHBondContact OG-N 3.34Å; I537-G539 VanDerWaalsContact C-N 3.31Å; I537-G539 PolarHBondContact O-N 3.45Å; I537-L540 PolarHBondContact O-N 3.26Å; I537-T541 HydrophobicContact CG2-CG2 4.23Å; I537-T541 WeakPolarHBondContact O-CB 3.45Å; I537-T541 WeakPolarHBondContact O-CG2 3.43Å; I537-T541 PolarHBondContact O-N 3.11Å; I537-T541 PolarHBondContact O-OG1 2.93Å; I537-V651 HydrophobicContact CD1-CG1 4.49Å; I537-V651 HydrophobicContact CG2-CG2 4.02Å; I537-E654 HydrophobicContact CD1-CB 4.02Å; I537-E654 HydrophobicContact CD1-CG 4.08Å; I537-E654 HydrophobicContact CG1-CB 3.8Å; I537-E654 HydrophobicContact CG1-CG 3.74Å
538M90.7Very high89.8Confident3 Ų324 Ų242%0.01515%0.146CC..Hα-helixtrans-58.8-45.3178.2-169.558.762.200110.7A524 V527 I533 S534 E535 I542 L543A524-M538 HydrophobicContact CB-CG 3.92Å; A524-M538 HydrophobicContact CB-SD 4.49Å; V527-M538 HydrophobicContact CG1-CE 4.35Å; I533-M538 HydrophobicContact CB-CE 4.32Å; I533-M538 HydrophobicContact CG2-CE 4.2Å; S534-M538 WeakPolarHBondContact O-CB 3.28Å; S534-M538 PolarHBondContact O-N 3.45Å; E535-M538 PolarHBondContact O-N 3.1Å; M538-I542 HydrophobicContact CE-CD1 4.34Å; M538-I542 PolarHBondContact O-N 3.43Å; M538-I542 HydrophobicContact SD-CB 3.81Å; M538-I542 HydrophobicContact SD-CD1 3.74Å; M538-I542 HydrophobicContact SD-CG1 4.2Å; M538-I542 HydrophobicContact SD-CG2 4.2Å; M538-L543 HydrophobicContact CB-CD1 4.45Å; M538-L543 HydrophobicContact CG-CD1 3.65Å; M538-L543 WeakPolarHBondContact O-CD1 3.43Å; M538-L543 PolarHBondContact O-N 3.09Å; M538-L543 HydrophobicContact SD-CD1 4.46Å
539G91.3Very high89.6Confident0 Ų027.8 Ų27.80%016%0.164CC..Iπ-helixtrans-57.4-57.8172.700000112.4T204 E535 E536 I537 T541 A544T204-G539 WeakPolarHBondContact CA-O 3.39Å; T204-G539 WeakPolarHBondContact OG1-CA 3.34Å; E535-G539 PolarHBondContact O-N 3.41Å; E536-G539 PolarHBondContact O-N 3.06Å; I537-G539 VanDerWaalsContact C-N 3.31Å; I537-G539 PolarHBondContact O-N 3.45Å; G539-T541 PolarHBondContact O-N 2.9Å; G539-T541 VanDerWaalsContact O-N 3.15Å; G539-A544 WeakPolarHBondContact O-CB 3.23Å; G539-A544 PolarHBondContact O-N 3.33Å
540L89.7Confident89.2Confident16 Ų1626 Ų268%0.08416%0.157CC..Iπ-helixtrans-64.5-17.6-176.3-174.9138.2000114.5G203 V206 G207 E536 I537 A609 F646 L647G203-L540 VanDerWaalsContact O-CA 3.25Å; G203-L540 WeakPolarHBondContact O-CA 3.23Å; V206-L540 HydrophobicContact CG1-CD1 4.28Å; G207-L540 WeakPolarHBondContact CA-O 3.44Å; E536-L540 WeakPolarHBondContact O-CB 3.47Å; E536-L540 PolarHBondContact O-N 3.38Å; I537-L540 PolarHBondContact O-N 3.26Å; L540-A609 HydrophobicContact CD1-CB 4.16Å; L540-F646 HydrophobicContact CD1-CZ 4.42Å; L540-F646 HydrophobicContact CD2-CE1 4.19Å; L540-L647 HydrophobicContact CD2-CD2 4.5Å
541T91.7Very high88.9Confident28 Ų2826.3 Ų26.317%0.17216%0.158CC..Iπ-helixtrans-114.9-72.3-177.361.90000113.1I537 G539 A545 L647 V651I537-T541 HydrophobicContact CG2-CG2 4.23Å; I537-T541 WeakPolarHBondContact O-CB 3.45Å; I537-T541 WeakPolarHBondContact O-CG2 3.43Å; I537-T541 PolarHBondContact O-N 3.11Å; I537-T541 PolarHBondContact O-OG1 2.93Å; G539-T541 PolarHBondContact O-N 2.9Å; G539-T541 VanDerWaalsContact O-N 3.15Å; T541-A545 VanDerWaalsContact O-CB 3.23Å; T541-A545 WeakPolarHBondContact O-CB 3.1Å; T541-A545 PolarHBondContact O-N 2.86Å; T541-L647 HydrophobicContact CG2-CD2 4.03Å; T541-V651 HydrophobicContact CG2-CG2 4.41Å
542I92.3Very high88.8Confident69 Ų6922.8 Ų22.835%0.35414%0.14SC..Iπ-helixtrans-81.2-40.8-167.3-68.3178000111.8M139 M538 G546M139-I542 HydrophobicContact CE-CG2 3.7Å; M139-I542 HydrophobicContact SD-CG2 3.99Å; M538-I542 HydrophobicContact CE-CD1 4.34Å; M538-I542 PolarHBondContact O-N 3.43Å; M538-I542 HydrophobicContact SD-CB 3.81Å; M538-I542 HydrophobicContact SD-CD1 3.74Å; M538-I542 HydrophobicContact SD-CG1 4.2Å; M538-I542 HydrophobicContact SD-CG2 4.2Å; I542-G546 PolarHBondContact O-N 2.92Å
543L93.4Very high88.6Confident0 Ų021.7 Ų21.70%012%0.12CC..Iπ-helixtrans-67.1-52.1175.1-7770.3000109.9T188 V200 T204 M520 V521 A524 M538 A545 G546 T547T188-L543 HydrophobicContact CG2-CD2 3.81Å; V200-L543 HydrophobicContact CG2-CD2 3.92Å; T204-L543 HydrophobicContact CG2-CB 3.97Å; M520-L543 HydrophobicContact CE-CD2 4.04Å; M520-L543 HydrophobicContact CE-CG 4.16Å; V521-L543 HydrophobicContact CG2-CD2 3.88Å; A524-L543 HydrophobicContact CB-CD1 3.54Å; A524-L543 HydrophobicContact CB-CG 4.41Å; M538-L543 HydrophobicContact CB-CD1 4.45Å; M538-L543 HydrophobicContact CG-CD1 3.65Å; M538-L543 WeakPolarHBondContact O-CD1 3.43Å; M538-L543 PolarHBondContact O-N 3.09Å; M538-L543 HydrophobicContact SD-CD1 4.46Å; L543-A545 PolarHBondContact O-N 3.28Å; L543-G546 CarbonylContact O-C 3.36Å; L543-G546 WeakPolarHBondContact O-CA 3.29Å; L543-G546 PolarHBondContact O-N 2.88Å; L543-T547 PolarHBondContact O-N 2.86Å; L543-T547 PolarHBondContact O-OG1 2.91Å
544A93Very high88.2Confident1 Ų121.2 Ų21.21%0.00812%0.12CC..Hα-helixtrans-50.9-53.6177.400000113.5G207 S208 G539 G546 T547 S548G207-A544 VanDerWaalsContact C-CB 3.46Å; S208-A544 VanDerWaalsContact N-CB 3.33Å; S208-A544 WeakPolarHBondContact OG-CA 3.49Å; G539-A544 WeakPolarHBondContact O-CB 3.23Å; G539-A544 PolarHBondContact O-N 3.33Å; A544-G546 VanDerWaalsContact C-N 3.27Å; A544-G546 PolarHBondContact O-N 3.21Å; A544-T547 PolarHBondContact O-OG1 3.05Å; A544-S548 WeakPolarHBondContact O-CB 3.35Å; A544-S548 PolarHBondContact O-N 2.77Å; A544-S548 PolarHBondContact O-OG 2.61Å
545A91.6Very high88.1Confident23 Ų2320.6 Ų20.619%0.1912%0.116CC..Hα-helixtrans-64.7-33.9177.900000112.1F211 T541 L543 I549F211-A545 HydrophobicContact CD2-CB 4.07Å; F211-A545 HydrophobicContact CE2-CB 3.86Å; F211-A545 HydrophobicContact CZ-CB 4.46Å; T541-A545 VanDerWaalsContact O-CB 3.23Å; T541-A545 WeakPolarHBondContact O-CB 3.1Å; T541-A545 PolarHBondContact O-N 2.86Å; L543-A545 PolarHBondContact O-N 3.28Å; A545-I549 VanDerWaalsContact O-CG1 3.24Å; A545-I549 WeakPolarHBondContact O-CG1 3.36Å; A545-I549 PolarHBondContact O-N 2.95Å
546G90.8Very high88.1Confident10 Ų1021 Ų2110%0.10312%0.12CC..Hα-helixtrans-73.5-39.7-178.400000114.2F143 I542 L543 A544F143-G546 VanDerWaalsContact CD1-C 3.44Å; F143-G546 WeakPolarHBondContact CD1-O 3.31Å; F143-G546 VanDerWaalsContact CE1-C 3.43Å; I542-G546 PolarHBondContact O-N 2.92Å; L543-G546 CarbonylContact O-C 3.36Å; L543-G546 WeakPolarHBondContact O-CA 3.29Å; L543-G546 PolarHBondContact O-N 2.88Å; A544-G546 VanDerWaalsContact C-N 3.27Å; A544-G546 PolarHBondContact O-N 3.21Å
547T90.9Very high87.9Confident5 Ų521 Ų213%0.03112%0.12CC..Hα-helixtrans-73-32.4176.755.60000112.3F143 P184 E185 M520 L543 A544 P550F143-T547 HydrophobicContact CE1-CG2 4.25Å; P184-T547 HydrophobicContact CB-CG2 3.73Å; E185-T547 VanDerWaalsContact CD-CB 3.48Å; E185-T547 VanDerWaalsContact CD-OG1 3.22Å; E185-T547 WeakPolarHBondContact OE1-CB 3.19Å; E185-T547 PolarHBondContact OE1-OG1 2.71Å; M520-T547 HydrophobicContact CE-CG2 3.86Å; M520-T547 HydrophobicContact SD-CG2 3.97Å; L543-T547 PolarHBondContact O-N 2.86Å; L543-T547 PolarHBondContact O-OG1 2.91Å; A544-T547 PolarHBondContact O-OG1 3.05Å; T547-P550 VanDerWaalsContact O-CD 3.26Å; T547-P550 WeakPolarHBondContact O-CD 3.46Å
548S90.8Very high87.5Confident0 Ų021.3 Ų21.30%012%0.123CC..THydrogen-bonded Turntrans-90.94.8179.2-490000115.5E185 S208 A544 D551 L552E185-S548 PolarHBondContact OE1-N 2.93Å; E185-S548 PolarHBondContact OE1-OG 3.43Å; E185-S548 VanDerWaalsContact OE1-OG 3.05Å; S208-S548 WeakPolarHBondContact CB-OG 3.49Å; A544-S548 WeakPolarHBondContact O-CB 3.35Å; A544-S548 PolarHBondContact O-N 2.77Å; A544-S548 PolarHBondContact O-OG 2.61Å; S548-D551 PolarHBondContact O-N 3.24Å; S548-L552 WeakPolarHBondContact O-CB 3.46Å; S548-L552 PolarHBondContact O-N 3.4Å
549I86.6Confident87.2Confident81 Ų8121.3 Ų21.342%0.41512%0.123SC..Hα-helixtrans-62.4-40.5172.1-89.8161.4000114A545 L552 I553A545-I549 VanDerWaalsContact O-CG1 3.24Å; A545-I549 WeakPolarHBondContact O-CG1 3.36Å; A545-I549 PolarHBondContact O-N 2.95Å; I549-L552 WeakPolarHBondContact O-CB 3.12Å; I549-L552 PolarHBondContact O-N 3.45Å; I549-I553 HydrophobicContact CG2-CD1 3.87Å; I549-I553 VanDerWaalsContact O-CG1 3.3Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 2.85Å
550P80.4Confident86.9Confident12 Ų1227 Ų278%0.07814%0.144CC..Hα-helixtrans-55.1-49.9170.4-28.638.5000112.6A147 I352 T547 L552 I553 T554A147-P550 HydrophobicContact CB-CG 3.71Å; I352-P550 HydrophobicContact CD1-CB 3.72Å; I352-P550 HydrophobicContact CD1-CG 3.99Å; T547-P550 VanDerWaalsContact O-CD 3.26Å; T547-P550 WeakPolarHBondContact O-CD 3.46Å; P550-L552 VanDerWaalsContact C-N 3.33Å; P550-L552 PolarHBondContact O-N 3.05Å; P550-I553 WeakPolarHBondContact O-CB 3.46Å; P550-I553 PolarHBondContact O-N 2.95Å; P550-I553 VanDerWaalsContact O-N 3.07Å; P550-T554 WeakPolarHBondContact O-CG2 3.4Å; P550-T554 PolarHBondContact O-N 2.73Å; P550-T554 PolarHBondContact O-OG1 2.65Å
551D83.3Confident86.4Confident15 Ų1531.1 Ų31.18%0.0816%0.162CC..Hα-helixtrans-63.1-37179.2-78.48.1000112.7G181 S548 T554 S555G181-D551 WeakPolarHBondContact CA-OD1 3.4Å; S548-D551 PolarHBondContact O-N 3.24Å; D551-T554 WeakPolarHBondContact CA-OG1 3.42Å; D551-T554 PolarHBondContact O-OG1 2.63Å; D551-T554 VanDerWaalsContact O-OG1 3.14Å; D551-S555 WeakPolarHBondContact O-CB 3.47Å; D551-S555 PolarHBondContact O-N 2.92Å; D551-S555 PolarHBondContact O-OG 3.17Å
552L87.3Confident85.8Confident24 Ų2432 Ų3213%0.12618%0.176CC..Hα-helixtrans-58.3-48.8170.5174.267.4000111.5F211 F215 V216 T219 S548 I549 P550 V556F211-L552 HydrophobicContact CE1-CB 4.25Å; F211-L552 HydrophobicContact CE1-CD2 4.49Å; F211-L552 HydrophobicContact CZ-CD2 4.15Å; F215-L552 HydrophobicContact CD1-CD1 4.07Å; F215-L552 HydrophobicContact CD1-CD2 4.19Å; F215-L552 HydrophobicContact CE1-CD1 4.3Å; F215-L552 HydrophobicContact CE1-CD2 3.81Å; V216-L552 HydrophobicContact CB-CD1 4.19Å; V216-L552 HydrophobicContact CG1-CD1 4.28Å; V216-L552 HydrophobicContact CG2-CB 3.98Å; V216-L552 HydrophobicContact CG2-CD1 3.91Å; T219-L552 HydrophobicContact CG2-CD1 3.89Å; S548-L552 WeakPolarHBondContact O-CB 3.46Å; S548-L552 PolarHBondContact O-N 3.4Å; I549-L552 WeakPolarHBondContact O-CB 3.12Å; I549-L552 PolarHBondContact O-N 3.45Å; P550-L552 VanDerWaalsContact C-N 3.33Å; P550-L552 PolarHBondContact O-N 3.05Å; L552-V556 HydrophobicContact CD1-CG2 4.18Å; L552-V556 WeakPolarHBondContact O-CB 3.47Å; L552-V556 WeakPolarHBondContact O-CG2 3.43Å; L552-V556 PolarHBondContact O-N 3.14Å
553I82.8Confident85.2Confident34 Ų3431.9 Ų31.917%0.17418%0.176CC..Hα-helixtrans-64.1-50.7-176.6-73166.4000110.2I352 L355 I549 P550 V556 I557I352-I553 HydrophobicContact CG1-CD1 4.46Å; I352-I553 HydrophobicContact CG1-CG2 4.49Å; L355-I553 HydrophobicContact CD1-CG2 3.74Å; L355-I553 HydrophobicContact CD2-CD1 4.24Å; L355-I553 HydrophobicContact CD2-CG1 4.2Å; L355-I553 HydrophobicContact CD2-CG2 3.76Å; L355-I553 HydrophobicContact CG-CG2 4.25Å; I549-I553 HydrophobicContact CG2-CD1 3.87Å; I549-I553 VanDerWaalsContact O-CG1 3.3Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 2.85Å; P550-I553 WeakPolarHBondContact O-CB 3.46Å; P550-I553 PolarHBondContact O-N 2.95Å; P550-I553 VanDerWaalsContact O-N 3.07Å; I553-V556 PolarHBondContact O-N 3.28Å; I553-I557 HydrophobicContact CG2-CD1 3.91Å; I553-I557 WeakPolarHBondContact O-CD1 3.3Å; I553-I557 VanDerWaalsContact O-CG1 3.27Å; I553-I557 WeakPolarHBondContact O-CG1 3.35Å; I553-I557 PolarHBondContact O-N 2.76Å; I553-I557 VanDerWaalsContact O-N 3.12Å
554T78.8Confident84.5Confident46 Ų4632 Ų3228%0.28218%0.177SC..Hα-helixtrans-62.9-45.4-179.757.20000111.4P550 D551 V556 I557 V558P550-T554 WeakPolarHBondContact O-CG2 3.4Å; P550-T554 PolarHBondContact O-N 2.73Å; P550-T554 PolarHBondContact O-OG1 2.65Å; D551-T554 WeakPolarHBondContact CA-OG1 3.42Å; D551-T554 PolarHBondContact O-OG1 2.63Å; D551-T554 VanDerWaalsContact O-OG1 3.14Å; T554-V556 PolarHBondContact O-N 3.26Å; T554-I557 PolarHBondContact O-N 2.98Å; T554-V558 WeakPolarHBondContact O-CG2 3.37Å; T554-V558 PolarHBondContact O-N 3.27Å
555S85.3Confident83.8Confident4 Ų434.5 Ų34.53%0.02819%0.19CC..Hα-helixtrans-60.6-41.5177.6-640000112.6V216 C220 D551 I557 V558 A559 A567V216-S555 VanDerWaalsContact CG1-CB 3.49Å; C220-S555 VanDerWaalsContact SG-C 3.52Å; C220-S555 PolarHBondContact SG-O 3.19Å; D551-S555 WeakPolarHBondContact O-CB 3.47Å; D551-S555 PolarHBondContact O-N 2.92Å; D551-S555 PolarHBondContact O-OG 3.17Å; S555-I557 PolarHBondContact O-N 3.35Å; S555-V558 PolarHBondContact O-N 3.08Å; S555-A559 VanDerWaalsContact O-CB 3.25Å; S555-A559 WeakPolarHBondContact O-CB 3.35Å; S555-A559 PolarHBondContact O-N 2.83Å; S555-A567 WeakPolarHBondContact O-CB 3.5Å
556V86.2Confident83Confident23 Ų2337.2 Ų37.214%0.13920%0.2CC..Hα-helixtrans-66.8-36.1177.5168.70000111.8T219 F223 L552 I553 T554 R560T219-V556 HydrophobicContact CG2-CG2 3.48Å; T219-V556 VanDerWaalsContact CG2-CG2 3.48Å; F223-V556 HydrophobicContact CB-CG1 4.12Å; L552-V556 HydrophobicContact CD1-CG2 4.18Å; L552-V556 WeakPolarHBondContact O-CB 3.47Å; L552-V556 WeakPolarHBondContact O-CG2 3.43Å; L552-V556 PolarHBondContact O-N 3.14Å; I553-V556 PolarHBondContact O-N 3.28Å; T554-V556 PolarHBondContact O-N 3.26Å; V556-R560 WeakPolarHBondContact O-CB 3.45Å; V556-R560 VanDerWaalsContact O-CG 3.28Å; V556-R560 WeakPolarHBondContact O-CG 3.44Å; V556-R560 PolarHBondContact O-N 2.69Å
557I80.9Confident82.5Confident35 Ų3536.8 Ų36.818%0.17920%0.196CC..Hα-helixtrans-65.1-47.8175.8-67.3164000110.3L355 I553 T554 S555 R560 K561L355-I557 HydrophobicContact CD1-CD1 3.49Å; L355-I557 VanDerWaalsContact CD1-CD1 3.49Å; L355-I557 HydrophobicContact CD1-CG1 4.26Å; I553-I557 HydrophobicContact CG2-CD1 3.91Å; I553-I557 WeakPolarHBondContact O-CD1 3.3Å; I553-I557 VanDerWaalsContact O-CG1 3.27Å; I553-I557 WeakPolarHBondContact O-CG1 3.35Å; I553-I557 PolarHBondContact O-N 2.76Å; I553-I557 VanDerWaalsContact O-N 3.12Å; T554-I557 PolarHBondContact O-N 2.98Å; S555-I557 PolarHBondContact O-N 3.35Å; I557-R560 WeakPolarHBondContact O-CB 3.34Å; I557-R560 PolarHBondContact O-N 2.89Å; I557-R560 VanDerWaalsContact O-N 3.17Å; I557-K561 PolarHBondContact O-N 3.44Å; I557-K561 VanDerWaalsContact O-N 3.08Å
558V79.5Confident82.1Confident19 Ų1936.8 Ų36.812%0.11520%0.196CC..Hα-helixtrans-61.9-44.4177.1172.90000111.2M348 T554 S555 R560 K561 G562 L563 M566 A567M348-V558 HydrophobicContact SD-CG2 4.43Å; T554-V558 WeakPolarHBondContact O-CG2 3.37Å; T554-V558 PolarHBondContact O-N 3.27Å; S555-V558 PolarHBondContact O-N 3.08Å; V558-R560 VanDerWaalsContact C-N 3.32Å; V558-R560 PolarHBondContact O-N 3.49Å; V558-K561 PolarHBondContact O-N 3.43Å; V558-K561 VanDerWaalsContact O-N 3.11Å; V558-G562 PolarHBondContact O-N 2.85Å; V558-L563 HydrophobicContact CG1-CB 3.66Å; V558-L563 WeakPolarHBondContact CG1-O 3.42Å; V558-L563 PolarHBondContact O-N 3.28Å; V558-L563 VanDerWaalsContact O-N 3.17Å; V558-M566 HydrophobicContact CG1-CB 3.85Å; V558-M566 HydrophobicContact CG1-CG 4.04Å; V558-M566 HydrophobicContact CG1-SD 3.94Å; V558-A567 HydrophobicContact CB-CB 4.46Å; V558-A567 HydrophobicContact CG1-CB 4.25Å
559A84.1Confident81.4Confident2 Ų238 Ų382%0.01720%0.204CC..Hα-helixtrans-61.7-35.8173.900000112.8C220 L228 S555 K561 G562 A567C220-A559 HydrophobicContact CB-CB 3.68Å; L228-A559 HydrophobicContact CD1-CB 3.94Å; S555-A559 VanDerWaalsContact O-CB 3.25Å; S555-A559 WeakPolarHBondContact O-CB 3.35Å; S555-A559 PolarHBondContact O-N 2.83Å; A559-K561 VanDerWaalsContact C-N 3.33Å; A559-G562 PolarHBondContact O-N 2.91Å; A559-G562 VanDerWaalsContact O-N 3.1Å; A559-A567 HydrophobicContact CB-CB 4.16Å
560R85.3Confident81Confident121 Ų12135.7 Ų35.746%0.45720%0.195SC..Hα-helixtrans-70.8-23.8174.4-79.7178.763.3162.9-0.2113.9F223 V556 I557 V558 G562F223-R560 WeakPolarHBondContact O-CG 3.32Å; V556-R560 WeakPolarHBondContact O-CB 3.45Å; V556-R560 VanDerWaalsContact O-CG 3.28Å; V556-R560 WeakPolarHBondContact O-CG 3.44Å; V556-R560 PolarHBondContact O-N 2.69Å; I557-R560 WeakPolarHBondContact O-CB 3.34Å; I557-R560 PolarHBondContact O-N 2.89Å; I557-R560 VanDerWaalsContact O-N 3.17Å; V558-R560 VanDerWaalsContact C-N 3.32Å; V558-R560 PolarHBondContact O-N 3.49Å; R560-G562 PolarHBondContact O-N 3.18Å
561K80.8Confident81.2Confident102 Ų10235.2 Ų35.244%0.44319%0.192SC..THydrogen-bonded Turntrans-78.61.1168.3-64.8-169.3-179.5-162.50113.1Q347 I557 V558 A559 L563Q347-K561 PolarHBondContact O-NZ 3.21Å; I557-K561 PolarHBondContact O-N 3.44Å; I557-K561 VanDerWaalsContact O-N 3.08Å; V558-K561 PolarHBondContact O-N 3.43Å; V558-K561 VanDerWaalsContact O-N 3.11Å; A559-K561 VanDerWaalsContact C-N 3.33Å; K561-L563 VanDerWaalsContact C-N 3.34Å; K561-L563 HydrophobicContact CB-CD1 4.42Å; K561-L563 HydrophobicContact CB-CG 4.44Å
562G79.1Confident81.4Confident46 Ų4634.9 Ų34.947%0.47419%0.19SC..THydrogen-bonded Turntrans87-2.3-179.100000114.6L228 V558 A559 R560 G564L228-G562 WeakPolarHBondContact CD2-O 3.38Å; V558-G562 PolarHBondContact O-N 2.85Å; A559-G562 PolarHBondContact O-N 2.91Å; A559-G562 VanDerWaalsContact O-N 3.1Å; R560-G562 PolarHBondContact O-N 3.18Å; G562-G564 PolarHBondContact O-N 2.85Å
563L78.3Confident81.4Confident66 Ų6633.8 Ų33.835%0.34619%0.185SC..  trans-86.551.8-173.9-60.3174.6000111.9M348 V558 K561 D565 M566 A567M348-L563 HydrophobicContact SD-CD1 4.48Å; V558-L563 HydrophobicContact CG1-CB 3.66Å; V558-L563 WeakPolarHBondContact CG1-O 3.42Å; V558-L563 PolarHBondContact O-N 3.28Å; V558-L563 VanDerWaalsContact O-N 3.17Å; K561-L563 VanDerWaalsContact C-N 3.34Å; K561-L563 HydrophobicContact CB-CD1 4.42Å; K561-L563 HydrophobicContact CB-CG 4.44Å; L563-D565 VanDerWaalsContact C-N 3.29Å; L563-D565 PolarHBondContact O-N 2.9Å; L563-M566 HydrophobicContact CB-CB 4.46Å; L563-M566 PolarHBondContact O-N 2.89Å; L563-M566 VanDerWaalsContact O-N 3.08Å; L563-A567 PolarHBondContact O-N 3.19Å
564G79.6Confident81.7Confident3 Ų332.1 Ų32.13%0.03118%0.177CC..Hα-helixtrans-59.1-35.3-171.900000114.6G562 M566 A567 V568G562-G564 PolarHBondContact O-N 2.85Å; G564-M566 VanDerWaalsContact C-N 3.31Å; G564-M566 PolarHBondContact O-N 3.27Å; G564-A567 PolarHBondContact O-N 3.27Å; G564-V568 WeakPolarHBondContact O-CG2 3.38Å; G564-V568 PolarHBondContact O-N 2.88Å
565D77.1Confident82.3Confident53 Ų5330 Ų3028%0.28316%0.163SC..Hα-helixtrans-59.1-40.9175.2-82-22.1000112.6L230 T231 L563 S569L230-D565 WeakPolarHBondContact CA-OD1 3.32Å; L230-D565 WeakPolarHBondContact CD2-OD1 3.25Å; T231-D565 VanDerWaalsContact CB-OD2 3.29Å; T231-D565 WeakPolarHBondContact CB-OD2 3.49Å; T231-D565 WeakPolarHBondContact CG2-OD2 3.28Å; T231-D565 PolarHBondContact N-OD1 3.27Å; T231-D565 PolarHBondContact N-OD2 3.06Å; T231-D565 PolarHBondContact OG1-OD1 3.26Å; T231-D565 PolarHBondContact OG1-OD2 3.33Å; L563-D565 VanDerWaalsContact C-N 3.29Å; L563-D565 PolarHBondContact O-N 2.9Å; D565-S569 WeakPolarHBondContact O-CB 3.3Å; D565-S569 PolarHBondContact O-N 3.44Å
566M76.4Confident82.7Confident80 Ų8029.8 Ų29.839%0.39416%0.162SC..Hα-helixtrans-70.5-42.8179.3-176.3-175.8175.500111.2M348 V558 L563 G564 V568 S569 S570M348-M566 HydrophobicContact CE-CE 3.58Å; M348-M566 HydrophobicContact CE-SD 3.68Å; M348-M566 HydrophobicContact SD-CE 3.83Å; M348-M566 HydrophobicContact SD-SD 3.59Å; V558-M566 HydrophobicContact CG1-CB 3.85Å; V558-M566 HydrophobicContact CG1-CG 4.04Å; V558-M566 HydrophobicContact CG1-SD 3.94Å; L563-M566 HydrophobicContact CB-CB 4.46Å; L563-M566 PolarHBondContact O-N 2.89Å; L563-M566 VanDerWaalsContact O-N 3.08Å; G564-M566 VanDerWaalsContact C-N 3.31Å; G564-M566 PolarHBondContact O-N 3.27Å; M566-V568 VanDerWaalsContact C-N 3.34Å; M566-V568 PolarHBondContact O-N 2.99Å; M566-S569 PolarHBondContact O-N 2.78Å; M566-S570 VanDerWaalsContact O-CB 3.28Å; M566-S570 WeakPolarHBondContact O-CB 3.37Å; M566-S570 PolarHBondContact O-N 3.43Å
567A79.1Confident83Confident2 Ų229.5 Ų29.52%0.01716%0.159CC..Hα-helixtrans-60.2-43.1177.300000112S555 V558 A559 L563 G564 S571S555-A567 WeakPolarHBondContact O-CB 3.5Å; V558-A567 HydrophobicContact CB-CB 4.46Å; V558-A567 HydrophobicContact CG1-CB 4.25Å; A559-A567 HydrophobicContact CB-CB 4.16Å; L563-A567 PolarHBondContact O-N 3.19Å; G564-A567 PolarHBondContact O-N 3.27Å; A567-S571 PolarHBondContact O-N 2.93Å; A567-S571 PolarHBondContact O-OG 3.37Å
568V81.8Confident83.7Confident5 Ų527.9 Ų27.93%0.0315%0.15CC..Hα-helixtrans-71-45176.7174.90000111.8I217 L230 L235 G564 M566 S570 S571 V572 M631I217-V568 HydrophobicContact CD1-CG1 3.99Å; I217-V568 HydrophobicContact CD1-CG2 4.31Å; I217-V568 HydrophobicContact CG1-CG2 4.25Å; I217-V568 HydrophobicContact CG2-CG2 4.36Å; L230-V568 HydrophobicContact CD2-CB 4.32Å; L230-V568 HydrophobicContact CD2-CG2 3.88Å; L235-V568 HydrophobicContact CD1-CG1 4.18Å; G564-V568 WeakPolarHBondContact O-CG2 3.38Å; G564-V568 PolarHBondContact O-N 2.88Å; M566-V568 VanDerWaalsContact C-N 3.34Å; M566-V568 PolarHBondContact O-N 2.99Å; V568-S570 VanDerWaalsContact C-N 3.34Å; V568-S570 PolarHBondContact O-N 2.66Å; V568-S571 PolarHBondContact O-N 2.84Å; V568-V572 HydrophobicContact CG1-CG2 4.42Å; V568-V572 WeakPolarHBondContact O-CG2 3.4Å; V568-V572 PolarHBondContact O-N 3.46Å; V568-M631 HydrophobicContact CG2-SD 3.99Å
569S78.1Confident84.3Confident25 Ų2527.1 Ų27.118%0.17515%0.146CC..Hα-helixtrans-65.3-36.2179.8-173.30000112D238 D565 M566 V572 G573D238-S569 PolarHBondContact OD2-OG 2.82Å; D238-S569 VanDerWaalsContact OD2-OG 3.08Å; D565-S569 WeakPolarHBondContact O-CB 3.3Å; D565-S569 PolarHBondContact O-N 3.44Å; M566-S569 PolarHBondContact O-N 2.78Å; S569-V572 PolarHBondContact O-N 3.44Å; S569-G573 PolarHBondContact O-N 2.97Å
570S78.1Confident84.9Confident33 Ų3327 Ų2723%0.23115%0.145CC..Hα-helixtrans-61.3-47172.2-162.80000111.8M566 V568 V572 G573 S574M566-S570 VanDerWaalsContact O-CB 3.28Å; M566-S570 WeakPolarHBondContact O-CB 3.37Å; M566-S570 PolarHBondContact O-N 3.43Å; V568-S570 VanDerWaalsContact C-N 3.34Å; V568-S570 PolarHBondContact O-N 2.66Å; S570-V572 VanDerWaalsContact C-N 3.28Å; S570-V572 PolarHBondContact O-N 3.35Å; S570-G573 PolarHBondContact O-N 2.86Å; S570-S574 PolarHBondContact O-N 3.41Å; S570-S574 PolarHBondContact O-OG 3.33Å
571S84.7Confident85.3Confident2 Ų222.1 Ų22.11%0.01413%0.128CC..Hα-helixtrans-66.7-24.7178.9-56.60000113.8V216 A567 V568 S574 N575V216-S571 WeakPolarHBondContact CG1-OG 3.35Å; A567-S571 PolarHBondContact O-N 2.93Å; A567-S571 PolarHBondContact O-OG 3.37Å; V568-S571 PolarHBondContact O-N 2.84Å; S571-S574 PolarHBondContact O-OG 2.93Å; S571-N575 VanDerWaalsContact O-CG 3.27Å; S571-N575 PolarHBondContact O-OD1 3.44Å
572V85.9Confident85.9Confident7 Ų717.2 Ų17.24%0.04211%0.107CC..Hα-helixtrans-87.6-36.41751770000110.9D238 I239 V568 S569 S570 N575 I576D238-V572 HydrophobicContact CB-CG1 3.73Å; I239-V572 HydrophobicContact CG1-CG1 4.4Å; V568-V572 HydrophobicContact CG1-CG2 4.42Å; V568-V572 WeakPolarHBondContact O-CG2 3.4Å; V568-V572 PolarHBondContact O-N 3.46Å; S569-V572 PolarHBondContact O-N 3.44Å; S570-V572 VanDerWaalsContact C-N 3.28Å; S570-V572 PolarHBondContact O-N 3.35Å; V572-N575 PolarHBondContact O-N 3.39Å; V572-I576 HydrophobicContact CG1-CD1 4.06Å; V572-I576 WeakPolarHBondContact O-CG1 3.43Å; V572-I576 PolarHBondContact O-N 3.47Å
573G87.2Confident86.6Confident1 Ų115 Ų151%0.019%0.085CC..Hα-helixtrans-64.9-40.5177.700000113.3S569 S570 I576 F577S569-G573 PolarHBondContact O-N 2.97Å; S570-G573 PolarHBondContact O-N 2.86Å; G573-I576 PolarHBondContact O-N 2.99Å; G573-F577 PolarHBondContact O-N 2.83Å
574S88.9Confident87.4Confident0 Ų011.9 Ų11.90%07%0.068CC..Hα-helixtrans-60.5-48.6173.250.60000110.8S182 N212 S570 S571 I576 F577 D578S182-S574 WeakPolarHBondContact OG-CA 3.45Å; S182-S574 VanDerWaalsContact OG-CB 3.3Å; S182-S574 WeakPolarHBondContact OG-CB 3.45Å; S182-S574 PolarHBondContact OG-O 3.23Å; N212-S574 PolarHBondContact ND2-OG 3.19Å; S570-S574 PolarHBondContact O-N 3.41Å; S570-S574 PolarHBondContact O-OG 3.33Å; S571-S574 PolarHBondContact O-OG 2.93Å; S574-I576 VanDerWaalsContact C-N 3.34Å; S574-I576 PolarHBondContact O-N 3.26Å; S574-F577 CarbonylContact O-C 3.44Å; S574-F577 WeakPolarHBondContact O-CA 3.49Å; S574-F577 WeakPolarHBondContact O-CB 3.49Å; S574-F577 PolarHBondContact O-N 3.21Å; S574-D578 PolarHBondContact O-N 3.36Å
575N92.1Very high88.1Confident0 Ų013.6 Ų13.60%08%0.078CC..Hα-helixtrans-60.6-37.5177.4-68.611.8000114.1A209 N212 I213 Y242 S571 V572 D578 I579A209-N575 VanDerWaalsContact CA-ND2 3.31Å; A209-N575 WeakPolarHBondContact CA-ND2 3.27Å; A209-N575 HydrophobicContact CB-CB 4.34Å; A209-N575 PolarHBondContact O-ND2 3.14Å; N212-N575 VanDerWaalsContact CB-OD1 3.24Å; N212-N575 WeakPolarHBondContact CB-OD1 3.44Å; N212-N575 PolarHBondContact ND2-OD1 3.31Å; I213-N575 WeakPolarHBondContact CD1-ND2 3.36Å; I213-N575 WeakPolarHBondContact CG1-ND2 3.3Å; Y242-N575 HydrophobicContact CD2-CB 4.45Å; Y242-N575 HydrophobicContact CE2-CB 3.73Å; S571-N575 VanDerWaalsContact O-CG 3.27Å; S571-N575 PolarHBondContact O-OD1 3.44Å; V572-N575 PolarHBondContact O-N 3.39Å; N575-D578 PolarHBondContact O-N 3.44Å; N575-I579 PolarHBondContact O-N 2.99Å
576I93.1Very high88.9Confident0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-62.6-47173.1-69164.9000109.2D238 Y242 Y270 Y273 V572 G573 S574 D578 I579 T580D238-I576 HydrophobicContact CB-CD1 4.23Å; D238-I576 WeakPolarHBondContact O-CD1 3.4Å; Y242-I576 HydrophobicContact CD2-CG1 3.8Å; Y242-I576 HydrophobicContact CG-CG1 4.18Å; Y270-I576 HydrophobicContact CD2-CG2 4.28Å; Y273-I576 HydrophobicContact CD1-CG2 3.97Å; Y273-I576 HydrophobicContact CD2-CD1 4.48Å; Y273-I576 HydrophobicContact CE1-CD1 4.35Å; Y273-I576 HydrophobicContact CE1-CG2 4.07Å; Y273-I576 HydrophobicContact CE2-CD1 3.81Å; Y273-I576 HydrophobicContact CG-CG2 4.27Å; V572-I576 HydrophobicContact CG1-CD1 4.06Å; V572-I576 WeakPolarHBondContact O-CG1 3.43Å; V572-I576 PolarHBondContact O-N 3.47Å; G573-I576 PolarHBondContact O-N 2.99Å; S574-I576 VanDerWaalsContact C-N 3.34Å; S574-I576 PolarHBondContact O-N 3.26Å; I576-D578 PolarHBondContact O-N 2.83Å; I576-I579 PolarHBondContact O-N 3.44Å; I576-T580 HydrophobicContact CG2-CG2 4.49Å; I576-T580 WeakPolarHBondContact O-CB 3.48Å; I576-T580 WeakPolarHBondContact O-CG2 3.21Å; I576-T580 PolarHBondContact O-N 3.35Å; I576-T580 PolarHBondContact O-OG1 2.98Å
577F93.5Very high89.7Confident18 Ų187.4 Ų7.48%0.0795%0.046CC..Hα-helixtrans-60.7-42.7176175.8-87.5000112.3A179 L186 Y270 G573 S574 I579 T580 V581 G582A179-F577 HydrophobicContact CB-CD1 4.41Å; A179-F577 HydrophobicContact CB-CD2 3.58Å; A179-F577 HydrophobicContact CB-CE1 4.25Å; A179-F577 HydrophobicContact CB-CE2 3.37Å; A179-F577 HydrophobicContact CB-CG 4.09Å; A179-F577 HydrophobicContact CB-CZ 3.74Å; L186-F577 HydrophobicContact CB-CE1 4.46Å; L186-F577 HydrophobicContact CD2-CZ 4.25Å; Y270-F577 HydrophobicContact CE1-CD2 4.22Å; Y270-F577 HydrophobicContact CE2-CB 4.23Å; Y270-F577 HydrophobicContact CE2-CD2 4.21Å; Y270-F577 AromaticContact CZ-CD2 3.8Å; G573-F577 PolarHBondContact O-N 2.83Å; S574-F577 CarbonylContact O-C 3.44Å; S574-F577 WeakPolarHBondContact O-CA 3.49Å; S574-F577 WeakPolarHBondContact O-CB 3.49Å; S574-F577 PolarHBondContact O-N 3.21Å; F577-I579 VanDerWaalsContact C-N 3.35Å; F577-I579 PolarHBondContact O-N 3.01Å; F577-T580 PolarHBondContact O-N 2.98Å; F577-V581 HydrophobicContact CD1-CB 4.49Å; F577-V581 HydrophobicContact CD2-CB 3.83Å; F577-V581 HydrophobicContact CD2-CG1 4.28Å; F577-V581 HydrophobicContact CD2-CG2 3.71Å; F577-V581 HydrophobicContact CE1-CB 4.41Å; F577-V581 HydrophobicContact CE2-CB 3.73Å; F577-V581 HydrophobicContact CE2-CG1 3.66Å; F577-V581 HydrophobicContact CE2-CG2 3.89Å; F577-V581 HydrophobicContact CG-CB 4.23Å; F577-V581 HydrophobicContact CG-CG2 4.38Å; F577-V581 HydrophobicContact CZ-CB 4.05Å; F577-V581 HydrophobicContact CZ-CG1 3.8Å; F577-V581 CarbonylContact O-C 3.59Å; F577-V581 VanDerWaalsContact O-CA 3.29Å; F577-V581 WeakPolarHBondContact O-CA 3.49Å; F577-V581 VanDerWaalsContact O-CB 3.25Å; F577-V581 WeakPolarHBondContact O-CB 3.29Å; F577-V581 PolarHBondContact O-N 2.86Å; F577-G582 PolarHBondContact O-N 3.38Å
578D94.2Very high90.5Very high0 Ų010.3 Ų10.30%06%0.059CC..Iπ-helixtrans-61.7-42.4-179.5-63-27.4000111.9S182 I205 S574 N575 I576 G582 L583S182-D578 WeakPolarHBondContact CB-OD1 3.3Å; S182-D578 PolarHBondContact OG-OD1 3.09Å; I205-D578 HydrophobicContact CG1-CB 4.24Å; I205-D578 HydrophobicContact CG2-CB 3.76Å; S574-D578 PolarHBondContact O-N 3.36Å; N575-D578 PolarHBondContact O-N 3.44Å; I576-D578 PolarHBondContact O-N 2.83Å; D578-G582 CarbonylContact O-C 3.58Å; D578-G582 WeakPolarHBondContact O-CA 3.44Å; D578-G582 PolarHBondContact O-N 2.84Å; D578-L583 PolarHBondContact O-N 2.95Å
579I93.9Very high91.1Very high4 Ų412.8 Ų12.82%0.0217%0.071CC..Iπ-helixtrans-74.8-42.2179-67.2-170.5000112.2Y242 D245 L246 L249 L266 N575 I576 F577 P584Y242-I579 HydrophobicContact CD2-CD1 4.4Å; Y242-I579 HydrophobicContact CE2-CD1 3.53Å; Y242-I579 HydrophobicContact CE2-CG1 4.32Å; D245-I579 HydrophobicContact CB-CG2 4.32Å; L246-I579 HydrophobicContact CD2-CD1 3.39Å; L246-I579 HydrophobicContact CG-CD1 3.94Å; L249-I579 HydrophobicContact CB-CG2 4.48Å; L249-I579 HydrophobicContact CD2-CD1 4.45Å; L249-I579 HydrophobicContact CD2-CG2 4.13Å; L266-I579 HydrophobicContact CD2-CG2 4.29Å; N575-I579 PolarHBondContact O-N 2.99Å; I576-I579 PolarHBondContact O-N 3.44Å; F577-I579 VanDerWaalsContact C-N 3.35Å; F577-I579 PolarHBondContact O-N 3.01Å; I579-P584 WeakPolarHBondContact O-CD 3.26Å
580T94.9Very high91.7Very high0 Ų014.4 Ų14.40%07%0.074CC..Iπ-helixtrans-95.7-8.7-170.862.80000114.4D245 L266 L267 Y270 I576 F577 P584D245-T580 HydrophobicContact CB-CG2 3.77Å; D245-T580 WeakPolarHBondContact OD2-CG2 3.36Å; L266-T580 CarbonylContact C-O 3.3Å; L266-T580 HydrophobicContact CD2-CG2 4.44Å; L267-T580 WeakPolarHBondContact CD2-O 3.21Å; Y270-T580 WeakPolarHBondContact CB-OG1 3.43Å; Y270-T580 WeakPolarHBondContact CD2-OG1 3.23Å; I576-T580 HydrophobicContact CG2-CG2 4.49Å; I576-T580 WeakPolarHBondContact O-CB 3.48Å; I576-T580 WeakPolarHBondContact O-CG2 3.21Å; I576-T580 PolarHBondContact O-N 3.35Å; I576-T580 PolarHBondContact O-OG1 2.98Å; F577-T580 PolarHBondContact O-N 2.98Å; T580-P584 WeakPolarHBondContact O-CG 3.19Å
581V95Very high92.4Very high17 Ų1712.9 Ų12.910%0.1036%0.063CC..Iπ-helixtrans-132.8-50175.7-171.20000111.1L267 Y270 F577 L583 V585L267-V581 HydrophobicContact CD2-CG1 4.43Å; Y270-V581 HydrophobicContact CD1-CG2 3.45Å; Y270-V581 VanDerWaalsContact CD1-CG2 3.45Å; Y270-V581 HydrophobicContact CD2-CG2 4.04Å; Y270-V581 HydrophobicContact CE1-CG2 3.9Å; Y270-V581 HydrophobicContact CE2-CG2 4.44Å; Y270-V581 HydrophobicContact CG-CG2 3.53Å; F577-V581 HydrophobicContact CD1-CB 4.49Å; F577-V581 HydrophobicContact CD2-CB 3.83Å; F577-V581 HydrophobicContact CD2-CG1 4.28Å; F577-V581 HydrophobicContact CD2-CG2 3.71Å; F577-V581 HydrophobicContact CE1-CB 4.41Å; F577-V581 HydrophobicContact CE2-CB 3.73Å; F577-V581 HydrophobicContact CE2-CG1 3.66Å; F577-V581 HydrophobicContact CE2-CG2 3.89Å; F577-V581 HydrophobicContact CG-CB 4.23Å; F577-V581 HydrophobicContact CG-CG2 4.38Å; F577-V581 HydrophobicContact CZ-CB 4.05Å; F577-V581 HydrophobicContact CZ-CG1 3.8Å; F577-V581 CarbonylContact O-C 3.59Å; F577-V581 VanDerWaalsContact O-CA 3.29Å; F577-V581 WeakPolarHBondContact O-CA 3.49Å; F577-V581 VanDerWaalsContact O-CB 3.25Å; F577-V581 WeakPolarHBondContact O-CB 3.29Å; F577-V581 PolarHBondContact O-N 2.86Å; V581-L583 PolarHBondContact O-N 3.5Å; V581-V585 HydrophobicContact CG1-CG2 3.55Å; V581-V585 VanDerWaalsContact O-CB 3.27Å; V581-V585 WeakPolarHBondContact O-CB 3.22Å; V581-V585 VanDerWaalsContact O-CG2 3.31Å; V581-V585 WeakPolarHBondContact O-CG2 3.34Å; V581-V585 PolarHBondContact O-N 3.19Å
582G93.7Very high92.8Very high0 Ų016.1 Ų16.10%08%0.083CC..Iπ-helixtrans-57.2-40.1-176.900000115S189 I205 F577 D578 P586S189-G582 VanDerWaalsContact CB-O 3.23Å; S189-G582 WeakPolarHBondContact CB-O 3.31Å; S189-G582 PolarHBondContact OG-O 2.98Å; I205-G582 VanDerWaalsContact CD1-C 3.42Å; F577-G582 PolarHBondContact O-N 3.38Å; D578-G582 CarbonylContact O-C 3.58Å; D578-G582 WeakPolarHBondContact O-CA 3.44Å; D578-G582 PolarHBondContact O-N 2.84Å; G582-P586 VanDerWaalsContact O-CD 3.24Å; G582-P586 WeakPolarHBondContact O-CD 3.45Å; G582-P586 WeakPolarHBondContact O-CG 3.44Å
583L93Very high93.1Very high0 Ų022.8 Ų22.80%011%0.112CC..THydrogen-bonded Turntrans-81.1-56.4173.5-67.7175.1000113.6I202 I205 L249 D578 V581 V585 P586 W587I202-L583 HydrophobicContact CB-CD2 4.05Å; I202-L583 HydrophobicContact CG1-CD2 3.99Å; I202-L583 HydrophobicContact CG2-CD2 3.76Å; I205-L583 HydrophobicContact CB-CD2 4.13Å; I205-L583 HydrophobicContact CB-CG 4.39Å; I205-L583 HydrophobicContact CD1-CD2 3.65Å; I205-L583 HydrophobicContact CD1-CG 3.82Å; I205-L583 HydrophobicContact CG1-CD2 4.46Å; I205-L583 HydrophobicContact CG2-CD1 4.06Å; I205-L583 HydrophobicContact CG2-CD2 4.15Å; I205-L583 HydrophobicContact CG2-CG 3.91Å; L249-L583 HydrophobicContact CD1-CD1 3.99Å; L249-L583 HydrophobicContact CD2-CD1 3.98Å; D578-L583 PolarHBondContact O-N 2.95Å; V581-L583 PolarHBondContact O-N 3.5Å; L583-V585 PolarHBondContact O-N 3.01Å; L583-P586 WeakPolarHBondContact O-CD 3.36Å; L583-W587 HydrophobicContact CB-CE3 4.25Å; L583-W587 HydrophobicContact CB-CH2 3.6Å; L583-W587 HydrophobicContact CB-CZ2 4Å; L583-W587 HydrophobicContact CB-CZ3 3.74Å; L583-W587 HydrophobicContact CD1-CH2 3.98Å; L583-W587 HydrophobicContact CD2-CH2 4.14Å; L583-W587 HydrophobicContact CD2-CZ2 3.95Å; L583-W587 HydrophobicContact CG-CH2 4.11Å; L583-W587 HydrophobicContact CG-CZ2 4.4Å; L583-W587 VanDerWaalsContact O-CD2 3.32Å; L583-W587 PolarHBondContact O-N 3.43Å
584P94.9Very high93.3Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-75.8-21-171.330.7-40.2000114.8S263 L266 L267 I579 T580 W587 F588S263-P584 WeakPolarHBondContact O-CB 3.27Å; L266-P584 HydrophobicContact CB-CB 3.93Å; L266-P584 HydrophobicContact CB-CG 3.76Å; L266-P584 HydrophobicContact CD1-CB 4.13Å; L266-P584 HydrophobicContact CD1-CG 4.34Å; L267-P584 HydrophobicContact CD2-CG 3.99Å; L267-P584 HydrophobicContact CG-CB 4.09Å; L267-P584 HydrophobicContact CG-CG 3.98Å; I579-P584 WeakPolarHBondContact O-CD 3.26Å; T580-P584 WeakPolarHBondContact O-CG 3.19Å; P584-W587 HydrophobicContact CB-CE3 4.39Å; P584-W587 PolarHBondContact O-N 3.43Å; P584-F588 WeakPolarHBondContact O-CB 3.44Å; P584-F588 PolarHBondContact O-N 3.12Å
585V95.3Very high93.3Very high39 Ų3929.9 Ų29.924%0.23617%0.165CC..Hα-helixtrans-62.8-53.4174.6168.20000110.7L186 L267 V581 L583 W587 F588 L589L186-V585 HydrophobicContact CD1-CB 4.1Å; L186-V585 HydrophobicContact CD1-CG1 4.3Å; L267-V585 HydrophobicContact CD2-CG2 3.64Å; V581-V585 HydrophobicContact CG1-CG2 3.55Å; V581-V585 VanDerWaalsContact O-CB 3.27Å; V581-V585 WeakPolarHBondContact O-CB 3.22Å; V581-V585 VanDerWaalsContact O-CG2 3.31Å; V581-V585 WeakPolarHBondContact O-CG2 3.34Å; V581-V585 PolarHBondContact O-N 3.19Å; L583-V585 PolarHBondContact O-N 3.01Å; V585-W587 PolarHBondContact O-N 3.47Å; V585-F588 PolarHBondContact O-N 3.36Å; V585-L589 HydrophobicContact CG1-CD1 3.69Å; V585-L589 HydrophobicContact CG1-CG 4.25Å; V585-L589 WeakPolarHBondContact O-CB 3.09Å; V585-L589 VanDerWaalsContact O-CG 3.22Å; V585-L589 WeakPolarHBondContact O-CG 3.47Å; V585-L589 PolarHBondContact O-N 3.5Å
586P94Very high93.2Very high0 Ų034.2 Ų34.20%019%0.187CC..Hα-helixtrans-52.7-47.6171.7-3339.4000114.4L186 L190 V193 G582 L583 L589 Y590L186-P586 HydrophobicContact CD1-CG 4.44Å; L190-P586 HydrophobicContact CB-CG 4.06Å; V193-P586 HydrophobicContact CB-CB 4.06Å; V193-P586 HydrophobicContact CG2-CB 3.76Å; G582-P586 VanDerWaalsContact O-CD 3.24Å; G582-P586 WeakPolarHBondContact O-CD 3.45Å; G582-P586 WeakPolarHBondContact O-CG 3.44Å; L583-P586 WeakPolarHBondContact O-CD 3.36Å; P586-L589 PolarHBondContact O-N 3.44Å; P586-Y590 WeakPolarHBondContact O-CB 3.47Å; P586-Y590 PolarHBondContact O-N 3.45Å
587W93.4Very high92.9Very high3 Ų336.1 Ų36.11%0.01120%0.201CC..Hα-helixtrans-65.2-45.2-179.6-59.7-30000112.9I202 L249 F253 I258 S263 L266 L583 P584 V585 Y590 S591 V599I202-W587 HydrophobicContact CD1-CZ2 3.81Å; I202-W587 HydrophobicContact CG1-CZ2 4.03Å; L249-W587 HydrophobicContact CD1-CH2 4.07Å; L249-W587 HydrophobicContact CD1-CZ3 4.22Å; F253-W587 AromaticContact CE2-CH2 3.55Å; F253-W587 HydrophobicContact CE2-CH2 3.55Å; F253-W587 HydrophobicContact CE2-CZ2 4.22Å; F253-W587 HydrophobicContact CE2-CZ3 4.31Å; F253-W587 AromaticContact CZ-CH2 3.69Å; F253-W587 HydrophobicContact CZ-CH2 3.69Å; F253-W587 AromaticContact CZ-CZ2 3.95Å; F253-W587 HydrophobicContact CZ-CZ2 3.95Å; I258-W587 HydrophobicContact CB-CE3 4.44Å; I258-W587 HydrophobicContact CD1-CZ3 4.49Å; I258-W587 HydrophobicContact CG1-CD2 4.43Å; I258-W587 HydrophobicContact CG1-CE3 4.31Å; I258-W587 HydrophobicContact CG1-CH2 4.41Å; I258-W587 HydrophobicContact CG1-CZ3 4.3Å; I258-W587 HydrophobicContact CG2-CB 4.48Å; I258-W587 HydrophobicContact CG2-CD2 4.12Å; I258-W587 HydrophobicContact CG2-CE3 3.7Å; I258-W587 HydrophobicContact CG2-CG 4.49Å; I258-W587 HydrophobicContact CG2-CZ3 4.24Å; S263-W587 WeakPolarHBondContact OG-CB 3.24Å; L266-W587 HydrophobicContact CD1-CZ3 4.17Å; L583-W587 HydrophobicContact CB-CE3 4.25Å; L583-W587 HydrophobicContact CB-CH2 3.6Å; L583-W587 HydrophobicContact CB-CZ2 4Å; L583-W587 HydrophobicContact CB-CZ3 3.74Å; L583-W587 HydrophobicContact CD1-CH2 3.98Å; L583-W587 HydrophobicContact CD2-CH2 4.14Å; L583-W587 HydrophobicContact CD2-CZ2 3.95Å; L583-W587 HydrophobicContact CG-CH2 4.11Å; L583-W587 HydrophobicContact CG-CZ2 4.4Å; L583-W587 VanDerWaalsContact O-CD2 3.32Å; L583-W587 PolarHBondContact O-N 3.43Å; P584-W587 HydrophobicContact CB-CE3 4.39Å; P584-W587 PolarHBondContact O-N 3.43Å; V585-W587 PolarHBondContact O-N 3.47Å; W587-Y590 PolarHBondContact O-N 2.83Å; W587-S591 WeakPolarHBondContact O-CB 3.45Å; W587-S591 PolarHBondContact O-N 3.42Å; W587-V599 HydrophobicContact CB-CG2 4.2Å; W587-V599 HydrophobicContact CG-CG2 4.49Å
588F94.8Very high92.7Very high63 Ų6338.1 Ų38.128%0.27622%0.216SC..Hα-helixtrans-62.7-45.5177-178.8-103.2000111.4L267 P584 V585 S591 V592L267-F588 HydrophobicContact CD1-CB 4.35Å; L267-F588 HydrophobicContact CD1-CG 4.43Å; P584-F588 WeakPolarHBondContact O-CB 3.44Å; P584-F588 PolarHBondContact O-N 3.12Å; V585-F588 PolarHBondContact O-N 3.36Å; F588-S591 PolarHBondContact O-N 3.46Å; F588-V592 HydrophobicContact CD1-CG2 4.26Å; F588-V592 HydrophobicContact CD2-CG2 4.45Å; F588-V592 HydrophobicContact CE1-CG2 3.88Å; F588-V592 HydrophobicContact CE2-CG2 4.09Å; F588-V592 HydrophobicContact CZ-CG2 3.79Å; F588-V592 WeakPolarHBondContact O-CB 3.44Å; F588-V592 VanDerWaalsContact O-CG2 3.26Å; F588-V592 WeakPolarHBondContact O-CG2 3.33Å; F588-V592 PolarHBondContact O-N 2.78Å
589L93.6Very high92.3Very high57 Ų5738.9 Ų38.930%0.29822%0.22SC..Hα-helixtrans-61-46.8175.9-71.9173.9000111.3L190 F194 V585 P586 S591 V592 F593L190-L589 HydrophobicContact CD1-CD1 4.42Å; F194-L589 HydrophobicContact CE2-CB 4.07Å; F194-L589 HydrophobicContact CZ-CB 3.87Å; V585-L589 HydrophobicContact CG1-CD1 3.69Å; V585-L589 HydrophobicContact CG1-CG 4.25Å; V585-L589 WeakPolarHBondContact O-CB 3.09Å; V585-L589 VanDerWaalsContact O-CG 3.22Å; V585-L589 WeakPolarHBondContact O-CG 3.47Å; V585-L589 PolarHBondContact O-N 3.5Å; P586-L589 PolarHBondContact O-N 3.44Å; L589-S591 VanDerWaalsContact C-N 3.34Å; L589-S591 PolarHBondContact O-N 2.72Å; L589-V592 PolarHBondContact O-N 3.24Å; L589-F593 HydrophobicContact CB-CD2 4.46Å; L589-F593 HydrophobicContact CB-CE2 4.27Å; L589-F593 HydrophobicContact CD2-CE2 4.34Å; L589-F593 WeakPolarHBondContact O-CD2 3.36Å; L589-F593 PolarHBondContact O-N 2.92Å
590Y91.7Very high91.8Very high58 Ų5842.7 Ų42.723%0.22725%0.252CS..Hα-helixtrans-59.6-46.1178.2178.7-82.1000111.1V193 F194 P586 W587 F593 N594 V599V193-Y590 HydrophobicContact CG1-CD2 3.78Å; V193-Y590 HydrophobicContact CG1-CG 3.89Å; F194-Y590 HydrophobicContact CE1-CD2 4.42Å; P586-Y590 WeakPolarHBondContact O-CB 3.47Å; P586-Y590 PolarHBondContact O-N 3.45Å; W587-Y590 PolarHBondContact O-N 2.83Å; Y590-F593 PolarHBondContact O-N 3.31Å; Y590-N594 WeakPolarHBondContact CD1-ND2 3.49Å; Y590-N594 WeakPolarHBondContact CD2-ND2 3.49Å; Y590-N594 HydrophobicContact CE1-CB 4.34Å; Y590-N594 WeakPolarHBondContact CE1-ND2 3.37Å; Y590-N594 VanDerWaalsContact CE2-ND2 3.27Å; Y590-N594 WeakPolarHBondContact CE2-ND2 3.47Å; Y590-N594 WeakPolarHBondContact O-CB 3.33Å; Y590-N594 PolarHBondContact O-N 3.11Å; Y590-N594 PolarHBondContact O-ND2 3.48Å; Y590-V599 HydrophobicContact CD1-CG2 3.56Å; Y590-V599 HydrophobicContact CE1-CG2 4.17Å; Y590-V599 HydrophobicContact CG-CG2 4.2Å
591S92.1Very high91.2Very high1 Ų143.3 Ų43.31%0.00726%0.256CS..Hα-helixtrans-63.4-43.8178.9-164.10000111.5W587 F588 L589 F593 N594 G595 L596 S597W587-S591 WeakPolarHBondContact O-CB 3.45Å; W587-S591 PolarHBondContact O-N 3.42Å; F588-S591 PolarHBondContact O-N 3.46Å; L589-S591 VanDerWaalsContact C-N 3.34Å; L589-S591 PolarHBondContact O-N 2.72Å; S591-F593 PolarHBondContact O-N 3.46Å; S591-N594 CarbonylContact O-C 3.59Å; S591-N594 PolarHBondContact O-N 2.99Å; S591-G595 PolarHBondContact O-N 2.98Å; S591-L596 VanDerWaalsContact O-CA 3.29Å; S591-L596 WeakPolarHBondContact O-CA 3.2Å; S591-L596 PolarHBondContact O-N 3.17Å; S591-L596 WeakPolarHBondContact OG-CA 3.38Å; S591-S597 WeakPolarHBondContact CA-O 3.35Å; S591-S597 WeakPolarHBondContact CB-O 3.42Å; S591-S597 PolarHBondContact OG-O 2.95Å
592V93.8Very high90Very high71 Ų7145.8 Ų45.843%0.4327%0.274SS..Hα-helixtrans-60.2-43.5175.8167.60000112.2F588 L589F588-V592 HydrophobicContact CD1-CG2 4.26Å; F588-V592 HydrophobicContact CD2-CG2 4.45Å; F588-V592 HydrophobicContact CE1-CG2 3.88Å; F588-V592 HydrophobicContact CE2-CG2 4.09Å; F588-V592 HydrophobicContact CZ-CG2 3.79Å; F588-V592 WeakPolarHBondContact O-CB 3.44Å; F588-V592 VanDerWaalsContact O-CG2 3.26Å; F588-V592 WeakPolarHBondContact O-CG2 3.33Å; F588-V592 PolarHBondContact O-N 2.78Å; L589-V592 PolarHBondContact O-N 3.24Å
593F92.3Very high88.4Confident147 Ų14747.7 Ų47.765%0.64529%0.288SS*.Hα-helixtrans-71.9-30.6179.1-70.2-56.2000113.5F194 L589 Y590 S591F194-F593 AromaticContact CE1-CD2 3.9Å; F194-F593 HydrophobicContact CE1-CD2 3.9Å; F194-F593 AromaticContact CZ-CD2 3.9Å; F194-F593 HydrophobicContact CZ-CD2 3.9Å; F194-F593 HydrophobicContact CZ-CE2 4.35Å; L589-F593 HydrophobicContact CB-CD2 4.46Å; L589-F593 HydrophobicContact CB-CE2 4.27Å; L589-F593 HydrophobicContact CD2-CE2 4.34Å; L589-F593 WeakPolarHBondContact O-CD2 3.36Å; L589-F593 PolarHBondContact O-N 2.92Å; Y590-F593 PolarHBondContact O-N 3.31Å; S591-F593 PolarHBondContact O-N 3.46Å
594N90.7Very high87.2Confident83 Ų8352.3 Ų52.344%0.44431%0.312SS..THydrogen-bonded Turntrans-9619-179.4-66.6-60.4000114Y590 S591 S597Y590-N594 WeakPolarHBondContact CD1-ND2 3.49Å; Y590-N594 WeakPolarHBondContact CD2-ND2 3.49Å; Y590-N594 HydrophobicContact CE1-CB 4.34Å; Y590-N594 WeakPolarHBondContact CE1-ND2 3.37Å; Y590-N594 VanDerWaalsContact CE2-ND2 3.27Å; Y590-N594 WeakPolarHBondContact CE2-ND2 3.47Å; Y590-N594 WeakPolarHBondContact O-CB 3.33Å; Y590-N594 PolarHBondContact O-N 3.11Å; Y590-N594 PolarHBondContact O-ND2 3.48Å; S591-N594 CarbonylContact O-C 3.59Å; S591-N594 PolarHBondContact O-N 2.99Å; N594-S597 WeakPolarHBondContact CB-OG 3.27Å
595G89.8Confident86.2Confident66 Ų6653.1 Ų53.168%0.6832%0.321SS*.THydrogen-bonded Turntrans7936171.300000114.8S591 S597S591-G595 PolarHBondContact O-N 2.98Å; G595-S597 VanDerWaalsContact C-N 3.32Å
596L89.5Confident85.4Confident91 Ų9151.9 Ų51.948%0.47631%0.313SS..SBendtrans65.227.7-174.4-54.9175.1000114.2W260 S591W260-L596 HydrophobicContact CB-CD2 4.22Å; W260-L596 HydrophobicContact CD2-CD2 4.36Å; W260-L596 HydrophobicContact CG-CD2 3.98Å; S591-L596 VanDerWaalsContact O-CA 3.29Å; S591-L596 WeakPolarHBondContact O-CA 3.2Å; S591-L596 PolarHBondContact O-N 3.17Å; S591-L596 WeakPolarHBondContact OG-CA 3.38Å
597S87.8Confident84.9Confident40 Ų4052.4 Ų52.428%0.2832%0.315SS..  trans-68.6140.8168.765.70000110.9S591 N594 G595S591-S597 WeakPolarHBondContact CA-O 3.35Å; S591-S597 WeakPolarHBondContact CB-O 3.42Å; S591-S597 PolarHBondContact OG-O 2.95Å; N594-S597 WeakPolarHBondContact CB-OG 3.27Å; G595-S597 VanDerWaalsContact C-N 3.32Å
598P87.9Confident84.5Confident60 Ų6052.8 Ų52.839%0.3932%0.318SS..  trans-73.3163.3175.332.8-36.9000112.1V257 I258V257-P598 HydrophobicContact CG1-CB 3.48Å; V257-P598 VanDerWaalsContact CG1-CB 3.48Å; V257-P598 HydrophobicContact CG1-CG 3.7Å; I258-P598 CarbonylContact O-C 3.58Å; I258-P598 WeakPolarHBondContact O-CA 3.27Å; I258-P598 WeakPolarHBondContact O-CB 3.34Å
599V86.8Confident84Confident17 Ų1750 Ų5010%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-101.4114.8177.9-177.20000109.4I258 W587 Y590I258-V599 PolarHBondContact N-O 2.68Å; I258-V599 PolarHBondContact O-N 3.21Å; W587-V599 HydrophobicContact CB-CG2 4.2Å; W587-V599 HydrophobicContact CG-CG2 4.49Å; Y590-V599 HydrophobicContact CD1-CG2 3.56Å; Y590-V599 HydrophobicContact CE1-CG2 4.17Å; Y590-V599 HydrophobicContact CG-CG2 4.2Å
600A83.9Confident83.8Confident84 Ų8447.3 Ų47.369%0.69429%0.293SS*.EExtended strand (participates in β ladder)trans-73.5132.9173.200000110.7
601V81.3Confident83.6Confident12 Ų1246.1 Ų46.17%0.07329%0.291CS..  trans-119.4141.2-179.1179.40000109.4I202 F253 S256 I258 S603 L606I202-V601 HydrophobicContact CD1-CG1 3.63Å; I202-V601 HydrophobicContact CD1-CG2 4.14Å; F253-V601 HydrophobicContact CD1-CG1 4.23Å; F253-V601 HydrophobicContact CE1-CG1 3.64Å; F253-V601 HydrophobicContact CZ-CG1 4.15Å; S256-V601 PolarHBondContact O-N 3.27Å; I258-V601 HydrophobicContact CG1-CG2 3.83Å; V601-S603 PolarHBondContact O-N 3.04Å; V601-L606 HydrophobicContact CG1-CD2 3.66Å
602S70.4Confident83.5Confident69 Ų6947.8 Ų47.848%0.48330%0.3SS..  trans-73.3123.4179.9-169.20000111N199N199-S602 WeakPolarHBondContact ND2-CB 3.31Å; N199-S602 PolarHBondContact OD1-N 2.89Å
603S59.4Low83.3Confident41 Ų4144.6 Ų44.629%0.28728%0.28SS..  trans-81.8-51.4-156.262.90000115.4S256 V601 F607S256-S603 WeakPolarHBondContact OG-CB 3.41Å; V601-S603 PolarHBondContact O-N 3.04Å; S603-F607 WeakPolarHBondContact O-CB 3.29Å; S603-F607 PolarHBondContact O-N 2.91Å; S603-F607 VanDerWaalsContact O-N 3.15Å
604N68.4Low83.3Confident97 Ų9739.3 Ų39.352%0.51926%0.257SS..Hα-helixtrans-76.4-47.7-155.9-70-15.9000115.8
605G74.6Confident83.3Confident17 Ų1739.9 Ų39.918%0.17526%0.26CS..Hα-helixtrans-75.2-44.1-179.200000112.1C608 A609 E654G605-C608 WeakPolarHBondContact O-CB 3.36Å; G605-C608 PolarHBondContact O-N 3.22Å; G605-A609 PolarHBondContact O-N 2.72Å; G605-E654 WeakPolarHBondContact CA-OE2 3.4Å
606L77Confident83.3Confident13 Ų1338.1 Ų38.17%0.06823%0.234CC..Hα-helixtrans-70.5-42-174.6-171.260.6000113.5N199 I202 F253 V601 C608 A609 I610N199-L606 HydrophobicContact CB-CD2 3.94Å; I202-L606 HydrophobicContact CB-CD1 4.22Å; I202-L606 HydrophobicContact CB-CD2 3.92Å; I202-L606 HydrophobicContact CD1-CD2 3.79Å; I202-L606 HydrophobicContact CG1-CD2 4.45Å; I202-L606 HydrophobicContact CG2-CD1 3.9Å; I202-L606 HydrophobicContact CG2-CD2 3.83Å; I202-L606 HydrophobicContact CG2-CG 4.16Å; F253-L606 HydrophobicContact CE1-CD2 3.97Å; F253-L606 HydrophobicContact CE1-CG 4.14Å; V601-L606 HydrophobicContact CG1-CD2 3.66Å; L606-C608 VanDerWaalsContact C-N 3.27Å; L606-C608 PolarHBondContact O-N 3.04Å; L606-A609 WeakPolarHBondContact O-CB 3.41Å; L606-A609 PolarHBondContact O-N 3.08Å; L606-A609 VanDerWaalsContact O-N 3.16Å; L606-I610 WeakPolarHBondContact O-CG1 3.23Å; L606-I610 PolarHBondContact O-N 2.97Å
607F84.4Confident83.4Confident11 Ų1134 Ų345%0.04821%0.212CC..Hα-helixtrans-58.6-42.6171.7177-98.2000111.1I250 F253 L254 S603 A609 I610 V611 V662 V664I250-F607 HydrophobicContact CG2-CE2 3.95Å; I250-F607 HydrophobicContact CG2-CZ 4.26Å; F253-F607 HydrophobicContact CB-CD2 3.83Å; F253-F607 HydrophobicContact CB-CE2 4.5Å; L254-F607 HydrophobicContact CD2-CE2 3.72Å; L254-F607 HydrophobicContact CD2-CZ 3.78Å; S603-F607 WeakPolarHBondContact O-CB 3.29Å; S603-F607 PolarHBondContact O-N 2.91Å; S603-F607 VanDerWaalsContact O-N 3.15Å; F607-A609 VanDerWaalsContact C-N 3.34Å; F607-A609 PolarHBondContact O-N 2.85Å; F607-I610 PolarHBondContact O-N 2.87Å; F607-V611 HydrophobicContact CD1-CG2 4.27Å; F607-V611 HydrophobicContact CE1-CG2 3.86Å; F607-V611 HydrophobicContact CE2-CG2 4.38Å; F607-V611 HydrophobicContact CZ-CG2 3.93Å; F607-V611 WeakPolarHBondContact O-CG2 3.46Å; F607-V611 PolarHBondContact O-N 2.91Å; F607-V662 HydrophobicContact CE1-CB 4.03Å; F607-V662 HydrophobicContact CE1-CG1 3.68Å; F607-V662 HydrophobicContact CZ-CG1 4.38Å; F607-V664 HydrophobicContact CD1-CG2 3.92Å; F607-V664 HydrophobicContact CD2-CG2 4.49Å; F607-V664 HydrophobicContact CE1-CG2 3.62Å; F607-V664 HydrophobicContact CE2-CG2 4.22Å; F607-V664 HydrophobicContact CG-CG2 4.35Å; F607-V664 HydrophobicContact CZ-CG2 3.77Å
608C85Confident83.5Confident10 Ų1034.9 Ų34.97%0.06821%0.214CC..Hα-helixtrans-60.7-42.8175.4-158.30000111.8G605 L606 I610 V611 L612 L653 C660G605-C608 WeakPolarHBondContact O-CB 3.36Å; G605-C608 PolarHBondContact O-N 3.22Å; L606-C608 VanDerWaalsContact C-N 3.27Å; L606-C608 PolarHBondContact O-N 3.04Å; C608-I610 PolarHBondContact O-N 3.41Å; C608-V611 PolarHBondContact O-N 3.17Å; C608-L612 WeakPolarHBondContact O-CB 3.3Å; C608-L612 VanDerWaalsContact O-CG 3.31Å; C608-L612 WeakPolarHBondContact O-CG 3.46Å; C608-L612 PolarHBondContact O-N 2.56Å; C608-L653 HydrophobicContact CB-CD1 4.13Å; C608-L653 VanDerWaalsContact SG-CD1 3.53Å; C608-C660 HydrophobicContact CB-CB 4.09Å; C608-C660 VanDerWaalsContact CB-SG 3.53Å; C608-C660 PolarHBondContact SG-SG 3.49Å
609A84.6Confident83.6Confident5 Ų536.5 Ų36.54%0.04122%0.215CC..Hα-helixtrans-61.8-39.2177.500000112.9V206 L540 G605 L606 F607 L612 L613V206-A609 HydrophobicContact CG1-CB 4.09Å; L540-A609 HydrophobicContact CD1-CB 4.16Å; G605-A609 PolarHBondContact O-N 2.72Å; L606-A609 WeakPolarHBondContact O-CB 3.41Å; L606-A609 PolarHBondContact O-N 3.08Å; L606-A609 VanDerWaalsContact O-N 3.16Å; F607-A609 VanDerWaalsContact C-N 3.34Å; F607-A609 PolarHBondContact O-N 2.85Å; A609-L612 PolarHBondContact O-N 3.04Å; A609-L613 WeakPolarHBondContact O-CB 3.25Å; A609-L613 PolarHBondContact O-N 3.16Å
610I87.8Confident83.7Confident1 Ų135.8 Ų35.81%0.00521%0.211CC..Hα-helixtrans-68.3-44176-62.7166000110.9V206 L246 L249 I250 F253 L606 F607 C608 L612 L613 F614V206-I610 HydrophobicContact CG2-CG1 3.8Å; L246-I610 HydrophobicContact CD2-CG2 4.35Å; L249-I610 HydrophobicContact CD2-CD1 4.03Å; L249-I610 HydrophobicContact CD2-CG1 4.43Å; L249-I610 HydrophobicContact CD2-CG2 3.99Å; L249-I610 HydrophobicContact CG-CD1 4.4Å; I250-I610 HydrophobicContact CD1-CG2 4.32Å; I250-I610 HydrophobicContact CG1-CG2 3.61Å; F253-I610 HydrophobicContact CD1-CD1 3.51Å; F253-I610 HydrophobicContact CD2-CD1 4.41Å; F253-I610 HydrophobicContact CE1-CD1 3.41Å; F253-I610 VanDerWaalsContact CE1-CD1 3.41Å; F253-I610 HydrophobicContact CE2-CD1 4.35Å; F253-I610 HydrophobicContact CG-CD1 4.03Å; F253-I610 HydrophobicContact CZ-CD1 3.87Å; L606-I610 WeakPolarHBondContact O-CG1 3.23Å; L606-I610 PolarHBondContact O-N 2.97Å; F607-I610 PolarHBondContact O-N 2.87Å; C608-I610 PolarHBondContact O-N 3.41Å; I610-L612 VanDerWaalsContact C-N 3.32Å; I610-L612 PolarHBondContact O-N 3.45Å; I610-L613 PolarHBondContact O-N 3.21Å; I610-F614 PolarHBondContact O-N 3.44Å
611V89.3Confident83.9Confident33 Ų3333.7 Ų33.720%0.219%0.187CC..Hα-helixtrans-61.8-40.5174.9172.20000111.2I250 F607 C608 F614 L615I250-V611 HydrophobicContact CD1-CG2 4.35Å; I250-V611 HydrophobicContact CG1-CG2 4.43Å; I250-V611 HydrophobicContact CG2-CG2 4.46Å; F607-V611 HydrophobicContact CD1-CG2 4.27Å; F607-V611 HydrophobicContact CE1-CG2 3.86Å; F607-V611 HydrophobicContact CE2-CG2 4.38Å; F607-V611 HydrophobicContact CZ-CG2 3.93Å; F607-V611 WeakPolarHBondContact O-CG2 3.46Å; F607-V611 PolarHBondContact O-N 2.91Å; C608-V611 PolarHBondContact O-N 3.17Å; V611-F614 PolarHBondContact O-N 3.39Å; V611-L615 HydrophobicContact CG1-CD1 4.39Å; V611-L615 WeakPolarHBondContact O-CG 3.43Å; V611-L615 PolarHBondContact O-N 3.28Å
612L88.6Confident84.3Confident36 Ų3638.5 Ų38.519%0.18821%0.211CC..Hα-helixtrans-62.2-47.5173.3-75.9173.8000111.5C608 A609 I610 F614 L615 M616 F646 I649 L653C608-L612 WeakPolarHBondContact O-CB 3.3Å; C608-L612 VanDerWaalsContact O-CG 3.31Å; C608-L612 WeakPolarHBondContact O-CG 3.46Å; C608-L612 PolarHBondContact O-N 2.56Å; A609-L612 PolarHBondContact O-N 3.04Å; I610-L612 VanDerWaalsContact C-N 3.32Å; I610-L612 PolarHBondContact O-N 3.45Å; L612-F614 VanDerWaalsContact C-N 3.27Å; L612-F614 PolarHBondContact O-N 3.11Å; L612-L615 PolarHBondContact O-N 2.94Å; L612-L615 VanDerWaalsContact O-N 3.09Å; L612-M616 WeakPolarHBondContact O-CG 3.41Å; L612-M616 PolarHBondContact O-N 2.9Å; L612-F646 HydrophobicContact CB-CD2 4.27Å; L612-F646 HydrophobicContact CB-CE2 4.04Å; L612-I649 HydrophobicContact CD1-CG2 3.67Å; L612-L653 HydrophobicContact CD1-CD1 3.54Å
613L89.9Confident85.1Confident4 Ų436 Ų362%0.02119%0.194CC..Hα-helixtrans-56.4-41.3176.4171.4163.4000111.6V206 A209 V210 L246 A609 I610 M616 L617V206-L613 HydrophobicContact CG1-CD1 4.01Å; A209-L613 HydrophobicContact CB-CD1 3.69Å; V210-L613 HydrophobicContact CG2-CB 3.9Å; V210-L613 HydrophobicContact CG2-CD1 3.8Å; V210-L613 HydrophobicContact CG2-CG 3.84Å; L246-L613 HydrophobicContact CD1-CD2 3.47Å; L246-L613 VanDerWaalsContact CD1-CD2 3.47Å; L246-L613 HydrophobicContact CD2-CD2 3.32Å; L246-L613 HydrophobicContact CG-CD2 4.03Å; A609-L613 WeakPolarHBondContact O-CB 3.25Å; A609-L613 PolarHBondContact O-N 3.16Å; I610-L613 PolarHBondContact O-N 3.21Å; L613-M616 PolarHBondContact O-N 3Å; L613-L617 PolarHBondContact O-N 2.88Å
614F92.1Very high86.3Confident36 Ų3634.3 Ų34.316%0.15818%0.182CC..Hα-helixtrans-61.8-45.1173.9176.8-95.7000112.5I243 L246 L247 I250 I610 V611 L612 M616 L617 L618I243-F614 HydrophobicContact CG2-CE2 4.24Å; L246-F614 HydrophobicContact CB-CD2 4.02Å; L246-F614 HydrophobicContact CD1-CD2 4.28Å; L247-F614 HydrophobicContact CD1-CE2 4.47Å; L247-F614 HydrophobicContact CD2-CE2 3.89Å; L247-F614 HydrophobicContact CD2-CZ 3.89Å; L247-F614 HydrophobicContact CG-CE2 3.89Å; L247-F614 HydrophobicContact CG-CZ 4.3Å; I250-F614 HydrophobicContact CD1-CB 3.99Å; I250-F614 HydrophobicContact CD1-CG 4.2Å; I610-F614 PolarHBondContact O-N 3.44Å; V611-F614 PolarHBondContact O-N 3.39Å; L612-F614 VanDerWaalsContact C-N 3.27Å; L612-F614 PolarHBondContact O-N 3.11Å; F614-M616 VanDerWaalsContact C-N 3.34Å; F614-M616 PolarHBondContact O-N 3.44Å; F614-L617 WeakPolarHBondContact O-CB 3.38Å; F614-L617 PolarHBondContact O-N 2.98Å; F614-L618 HydrophobicContact CD1-CD1 4.2Å; F614-L618 HydrophobicContact CE1-CD1 3.63Å; F614-L618 HydrophobicContact CE1-CG 4.33Å; F614-L618 HydrophobicContact CZ-CD1 4.05Å; F614-L618 HydrophobicContact CZ-CG 4.48Å; F614-L618 WeakPolarHBondContact O-CG 3.47Å; F614-L618 PolarHBondContact O-N 3.29Å; F614-L618 VanDerWaalsContact O-N 3.14Å
615L91.3Very high87.2Confident95 Ų9531.9 Ų31.950%0.49718%0.175SC..Hα-helixtrans-64.4-37.2175.8-67.5173.3000112.4V611 L612 L618 F619V611-L615 HydrophobicContact CG1-CD1 4.39Å; V611-L615 WeakPolarHBondContact O-CG 3.43Å; V611-L615 PolarHBondContact O-N 3.28Å; L612-L615 PolarHBondContact O-N 2.94Å; L612-L615 VanDerWaalsContact O-N 3.09Å; L615-L618 PolarHBondContact O-N 2.97Å; L615-F619 PolarHBondContact O-N 3.32Å
616M89.9Confident87.7Confident28 Ų2834.8 Ų34.814%0.13820%0.197CC..Hα-helixtrans-68-40.4177.3-65.9-62-77.100111.5L214 L612 L613 F614 L618 F619 V620 L642 F646L214-M616 HydrophobicContact CD1-CE 3.47Å; L214-M616 VanDerWaalsContact CD1-CE 3.47Å; L612-M616 WeakPolarHBondContact O-CG 3.41Å; L612-M616 PolarHBondContact O-N 2.9Å; L613-M616 PolarHBondContact O-N 3Å; F614-M616 VanDerWaalsContact C-N 3.34Å; F614-M616 PolarHBondContact O-N 3.44Å; M616-L618 VanDerWaalsContact C-N 3.35Å; M616-L618 PolarHBondContact O-N 3.45Å; M616-F619 WeakPolarHBondContact O-CB 3.31Å; M616-F619 PolarHBondContact O-N 3.44Å; M616-F619 VanDerWaalsContact O-N 3.16Å; M616-V620 WeakPolarHBondContact O-CG2 3.38Å; M616-V620 PolarHBondContact O-N 3.02Å; M616-L642 HydrophobicContact CE-CB 3.6Å; M616-L642 HydrophobicContact CE-CD2 3.98Å; M616-L642 HydrophobicContact CE-CG 4.28Å; M616-L642 WeakPolarHBondContact CE-O 3.33Å; M616-F646 HydrophobicContact CE-CB 4.08Å; M616-F646 HydrophobicContact CG-CD2 4.32Å
617L90.5Very high88.1Confident4 Ų436 Ų362%0.02121%0.207CC..Hα-helixtrans-56.2-48171.1173.167.6000111.3I213 I239 Y242 I243 L246 L613 F614 F619 V620 I621I213-L617 HydrophobicContact CD1-CD1 4.2Å; I239-L617 HydrophobicContact CD1-CD1 4.34Å; I239-L617 HydrophobicContact CG2-CD1 4.35Å; Y242-L617 HydrophobicContact CD1-CD1 3.8Å; Y242-L617 HydrophobicContact CD1-CD2 3.38Å; Y242-L617 HydrophobicContact CD1-CG 4.18Å; Y242-L617 HydrophobicContact CE1-CD1 3.95Å; Y242-L617 HydrophobicContact CE1-CD2 3.69Å; Y242-L617 HydrophobicContact CE1-CG 4.28Å; Y242-L617 HydrophobicContact CG-CD2 4.45Å; I243-L617 HydrophobicContact CG1-CD2 3.66Å; L246-L617 HydrophobicContact CD1-CD2 3.74Å; L613-L617 PolarHBondContact O-N 2.88Å; F614-L617 WeakPolarHBondContact O-CB 3.38Å; F614-L617 PolarHBondContact O-N 2.98Å; L617-F619 VanDerWaalsContact C-N 3.31Å; L617-F619 PolarHBondContact O-N 2.83Å; L617-V620 PolarHBondContact O-N 3.32Å; L617-I621 HydrophobicContact CD1-CD1 4.24Å; L617-I621 HydrophobicContact CD1-CG1 4.48Å; L617-I621 HydrophobicContact CG-CD1 4.02Å; L617-I621 WeakPolarHBondContact O-CD1 3.45Å; L617-I621 VanDerWaalsContact O-CG1 3.28Å; L617-I621 WeakPolarHBondContact O-CG1 3.37Å; L617-I621 PolarHBondContact O-N 3.37Å
618L90.8Very high88.1Confident60 Ų6043.7 Ų43.731%0.31424%0.24SC..Hα-helixtrans-59.1-42.2175.5-66.3-179.9000111.9I243 F614 L615 M616 V620 I621 I622I243-L618 HydrophobicContact CD1-CD2 4.35Å; F614-L618 HydrophobicContact CD1-CD1 4.2Å; F614-L618 HydrophobicContact CE1-CD1 3.63Å; F614-L618 HydrophobicContact CE1-CG 4.33Å; F614-L618 HydrophobicContact CZ-CD1 4.05Å; F614-L618 HydrophobicContact CZ-CG 4.48Å; F614-L618 WeakPolarHBondContact O-CG 3.47Å; F614-L618 PolarHBondContact O-N 3.29Å; F614-L618 VanDerWaalsContact O-N 3.14Å; L615-L618 PolarHBondContact O-N 2.97Å; M616-L618 VanDerWaalsContact C-N 3.35Å; M616-L618 PolarHBondContact O-N 3.45Å; L618-V620 VanDerWaalsContact C-N 3.34Å; L618-V620 PolarHBondContact O-N 2.9Å; L618-I621 HydrophobicContact CD2-CD1 4.33Å; L618-I621 PolarHBondContact O-N 2.94Å; L618-I622 WeakPolarHBondContact O-CB 3.32Å; L618-I622 WeakPolarHBondContact O-CD1 3.42Å; L618-I622 VanDerWaalsContact O-CG1 3.23Å; L618-I622 WeakPolarHBondContact O-CG1 3.03Å; L618-I622 PolarHBondContact O-N 3.27Å
619F90.3Very high88Confident93 Ų9346.2 Ų46.241%0.40825%0.248SC..Hα-helixtrans-61.8-40.7176.3-166.7-77.6000112.4L615 M616 L617 I622 S623 T638 L642L615-F619 PolarHBondContact O-N 3.32Å; M616-F619 WeakPolarHBondContact O-CB 3.31Å; M616-F619 PolarHBondContact O-N 3.44Å; M616-F619 VanDerWaalsContact O-N 3.16Å; L617-F619 VanDerWaalsContact C-N 3.31Å; L617-F619 PolarHBondContact O-N 2.83Å; F619-I622 PolarHBondContact O-N 3.24Å; F619-S623 VanDerWaalsContact CD1-OG 3.32Å; F619-S623 WeakPolarHBondContact CD1-OG 3.5Å; F619-S623 WeakPolarHBondContact CE1-OG 3.44Å; F619-S623 WeakPolarHBondContact O-CB 3.38Å; F619-S623 PolarHBondContact O-N 3.45Å; F619-S623 PolarHBondContact O-OG 3.05Å; F619-T638 HydrophobicContact CE1-CG2 4.37Å; F619-L642 HydrophobicContact CD1-CD1 3.33Å; F619-L642 HydrophobicContact CD1-CD2 3.91Å; F619-L642 HydrophobicContact CD1-CG 4.24Å; F619-L642 HydrophobicContact CE1-CD1 3.48Å; F619-L642 VanDerWaalsContact CE1-CD1 3.48Å; F619-L642 HydrophobicContact CE1-CD2 3.86Å; F619-L642 HydrophobicContact CE1-CG 4.17Å; F619-L642 HydrophobicContact CG-CD1 4.37Å; F619-L642 HydrophobicContact CG-CD2 4.37Å; F619-L642 HydrophobicContact CZ-CD2 4.24Å
620V88.2Confident88Confident3 Ų349.8 Ų49.82%0.01826%0.263CS..Hα-helixtrans-63.1-47.3177.6174.20000110.8I213 L214 M616 L617 L618 I622 S623 I624 M639I213-V620 HydrophobicContact CG2-CB 4.23Å; I213-V620 HydrophobicContact CG2-CG1 4.22Å; I213-V620 HydrophobicContact CG2-CG2 3.59Å; L214-V620 HydrophobicContact CD2-CG2 3.39Å; M616-V620 WeakPolarHBondContact O-CG2 3.38Å; M616-V620 PolarHBondContact O-N 3.02Å; L617-V620 PolarHBondContact O-N 3.32Å; L618-V620 VanDerWaalsContact C-N 3.34Å; L618-V620 PolarHBondContact O-N 2.9Å; V620-I622 PolarHBondContact O-N 3.35Å; V620-S623 WeakPolarHBondContact O-CB 3.26Å; V620-S623 PolarHBondContact O-N 3.27Å; V620-S623 VanDerWaalsContact O-N 3.15Å; V620-I624 HydrophobicContact CG1-CD1 3.74Å; V620-I624 HydrophobicContact CG1-CG1 4.42Å; V620-I624 WeakPolarHBondContact O-CG1 3.27Å; V620-I624 PolarHBondContact O-N 2.91Å; V620-M639 HydrophobicContact CB-SD 4.36Å; V620-M639 HydrophobicContact CG1-SD 4.26Å; V620-M639 HydrophobicContact CG2-CE 4.35Å; V620-M639 HydrophobicContact CG2-SD 3.67Å
621I88.4Confident87.7Confident39 Ų3949.9 Ų49.920%0.226%0.263CS..Hα-helixtrans-58.2-48.6176.9-61.9158.4000110.5I239 I243 L617 L618 S623 I624 A625I239-I621 HydrophobicContact CD1-CD1 4.39Å; I239-I621 HydrophobicContact CD1-CG1 3.8Å; I239-I621 HydrophobicContact CG2-CD1 3.33Å; I239-I621 HydrophobicContact CG2-CG1 3.86Å; I243-I621 HydrophobicContact CD1-CD1 3.99Å; L617-I621 HydrophobicContact CD1-CD1 4.24Å; L617-I621 HydrophobicContact CD1-CG1 4.48Å; L617-I621 HydrophobicContact CG-CD1 4.02Å; L617-I621 WeakPolarHBondContact O-CD1 3.45Å; L617-I621 VanDerWaalsContact O-CG1 3.28Å; L617-I621 WeakPolarHBondContact O-CG1 3.37Å; L617-I621 PolarHBondContact O-N 3.37Å; L618-I621 HydrophobicContact CD2-CD1 4.33Å; L618-I621 PolarHBondContact O-N 2.94Å; I621-S623 VanDerWaalsContact C-N 3.28Å; I621-S623 PolarHBondContact O-N 2.99Å; I621-I624 PolarHBondContact O-N 3.25Å; I621-A625 VanDerWaalsContact O-CB 3.3Å; I621-A625 WeakPolarHBondContact O-CB 3.39Å; I621-A625 PolarHBondContact O-N 3.44Å
622I88.9Confident87.6Confident113 Ų11350.9 Ų50.958%0.57927%0.268SS*.Hα-helixtrans-59.9-40.7178.1-68.9164.8000110.6L618 F619 V620 A625 A626L618-I622 WeakPolarHBondContact O-CB 3.32Å; L618-I622 WeakPolarHBondContact O-CD1 3.42Å; L618-I622 VanDerWaalsContact O-CG1 3.23Å; L618-I622 WeakPolarHBondContact O-CG1 3.03Å; L618-I622 PolarHBondContact O-N 3.27Å; F619-I622 PolarHBondContact O-N 3.24Å; V620-I622 PolarHBondContact O-N 3.35Å; I622-A625 PolarHBondContact O-N 3.32Å; I622-A626 VanDerWaalsContact O-CB 3.24Å; I622-A626 WeakPolarHBondContact O-CB 3.48Å; I622-A626 PolarHBondContact O-N 2.9Å
623S87.4Confident87.6Confident17 Ų1754.8 Ų54.812%0.11928%0.283CS..Hα-helixtrans-67.6-42.9179.4-60.50000112.9F619 V620 I621 A626 C627F619-S623 VanDerWaalsContact CD1-OG 3.32Å; F619-S623 WeakPolarHBondContact CD1-OG 3.5Å; F619-S623 WeakPolarHBondContact CE1-OG 3.44Å; F619-S623 WeakPolarHBondContact O-CB 3.38Å; F619-S623 PolarHBondContact O-N 3.45Å; F619-S623 PolarHBondContact O-OG 3.05Å; V620-S623 WeakPolarHBondContact O-CB 3.26Å; V620-S623 PolarHBondContact O-N 3.27Å; V620-S623 VanDerWaalsContact O-N 3.15Å; I621-S623 VanDerWaalsContact C-N 3.28Å; I621-S623 PolarHBondContact O-N 2.99Å; S623-A626 PolarHBondContact O-N 3.45Å; S623-C627 WeakPolarHBondContact O-CB 3.23Å; S623-C627 PolarHBondContact O-N 3.38Å; S623-C627 PolarHBondContact O-SG 2.95Å
624I85.9Confident87.5Confident6 Ų660.9 Ų60.93%0.03131%0.314CS..Hα-helixtrans-65.2-43.2175.8-67.4168.5000110.5L230 L235 V620 I621 C627 K628 W629 L635L230-I624 HydrophobicContact CD1-CG2 4.16Å; L235-I624 HydrophobicContact CD1-CD1 4.32Å; V620-I624 HydrophobicContact CG1-CD1 3.74Å; V620-I624 HydrophobicContact CG1-CG1 4.42Å; V620-I624 WeakPolarHBondContact O-CG1 3.27Å; V620-I624 PolarHBondContact O-N 2.91Å; I621-I624 PolarHBondContact O-N 3.25Å; I624-C627 CarbonylContact O-C 3.6Å; I624-C627 PolarHBondContact O-N 3.35Å; I624-K628 PolarHBondContact O-N 2.96Å; I624-W629 HydrophobicContact CG2-CD2 4.36Å; I624-W629 HydrophobicContact CG2-CE3 3.73Å; I624-W629 HydrophobicContact CG2-CH2 4.23Å; I624-W629 HydrophobicContact CG2-CZ3 3.65Å; I624-W629 PolarHBondContact O-N 2.9Å; I624-L635 HydrophobicContact CG1-CD2 4.2Å
625A85.4Confident87.4Confident45 Ų4559.6 Ų59.637%0.37231%0.309SS..Hα-helixtrans-64.1-43.9176.700000112I621 I622 C627 K628 W629I621-A625 VanDerWaalsContact O-CB 3.3Å; I621-A625 WeakPolarHBondContact O-CB 3.39Å; I621-A625 PolarHBondContact O-N 3.44Å; I622-A625 PolarHBondContact O-N 3.32Å; A625-C627 VanDerWaalsContact C-N 3.28Å; A625-C627 PolarHBondContact O-N 2.89Å; A625-K628 PolarHBondContact O-N 2.97Å; A625-W629 HydrophobicContact CB-CZ2 4.22Å
626A86.7Confident87.3Confident78 Ų7855.1 Ų55.165%0.64529%0.285SS*.Hα-helixtrans-61.6-35.6174.500000112.2I622 S623 K628I622-A626 VanDerWaalsContact O-CB 3.24Å; I622-A626 WeakPolarHBondContact O-CB 3.48Å; I622-A626 PolarHBondContact O-N 2.9Å; S623-A626 PolarHBondContact O-N 3.45Å; A626-K628 PolarHBondContact O-N 3.36Å
627C84.8Confident87.4Confident40 Ų4059.2 Ų59.227%0.2731%0.307SS..THydrogen-bonded Turntrans-76.16.3173.2-67.10000114.2S623 I624 A625 W629 K630 L635S623-C627 WeakPolarHBondContact O-CB 3.23Å; S623-C627 PolarHBondContact O-N 3.38Å; S623-C627 PolarHBondContact O-SG 2.95Å; I624-C627 CarbonylContact O-C 3.6Å; I624-C627 PolarHBondContact O-N 3.35Å; A625-C627 VanDerWaalsContact C-N 3.28Å; A625-C627 PolarHBondContact O-N 2.89Å; C627-W629 VanDerWaalsContact C-N 3.31Å; C627-W629 PolarHBondContact O-N 3.48Å; C627-K630 PolarHBondContact O-N 2.92Å; C627-L635 HydrophobicContact CB-CD2 4.31Å
628K85.1Confident87.4Confident172 Ų17261.6 Ų61.675%0.74832%0.322SS*.THydrogen-bonded Turntrans53.244179.7-57.5-178.2178.5179.50113I624 A625 A626 K630I624-K628 PolarHBondContact O-N 2.96Å; A625-K628 PolarHBondContact O-N 2.97Å; A626-K628 PolarHBondContact O-N 3.36Å; K628-K630 PolarHBondContact O-N 3.07Å
629W83Confident87.4Confident63 Ų6359 Ų5924%0.23931%0.308CS..THydrogen-bonded Turntrans64.426.4176.5-5192.2000114.1L230 W232 L235 I624 A625 C627L230-W629 PolarHBondContact N-O 3.23Å; W232-W629 AromaticContact CD1-CE2 3.59Å; W232-W629 AromaticContact CD1-CH2 3.39Å; W232-W629 AromaticContact CD1-CZ2 3.26Å; W232-W629 AromaticContact CD1-CZ3 3.81Å; W232-W629 HydrophobicContact CG-CZ2 4.47Å; W232-W629 AromaticContact NE1-CH2 3.83Å; W232-W629 AromaticContact NE1-CZ2 3.67Å; L235-W629 HydrophobicContact CD1-CZ3 4.03Å; L235-W629 HydrophobicContact CD2-CH2 4.07Å; L235-W629 HydrophobicContact CD2-CZ3 3.7Å; L235-W629 HydrophobicContact CG-CZ3 4.37Å; I624-W629 HydrophobicContact CG2-CD2 4.36Å; I624-W629 HydrophobicContact CG2-CE3 3.73Å; I624-W629 HydrophobicContact CG2-CH2 4.23Å; I624-W629 HydrophobicContact CG2-CZ3 3.65Å; I624-W629 PolarHBondContact O-N 2.9Å; A625-W629 HydrophobicContact CB-CZ2 4.22Å; C627-W629 VanDerWaalsContact C-N 3.31Å; C627-W629 PolarHBondContact O-N 3.48Å
630K84.3Confident87.5Confident80 Ų8056 Ų5635%0.34830%0.295SS..EExtended strand (participates in β ladder)trans-114.9119.3174.6-61.3-166.3-179.9-146.70111.3I227 H229 C627 K628 N632I227-K630 HydrophobicContact CG2-CB 3.84Å; I227-K630 HydrophobicContact CG2-CD 4.21Å; I227-K630 HydrophobicContact CG2-CG 4.32Å; H229-K630 VanDerWaalsContact CE1-CE 3.45Å; H229-K630 WeakPolarHBondContact CE1-CE 3.11Å; H229-K630 PolarHBondContact CE1-NZ 2.9Å; C627-K630 PolarHBondContact O-N 2.92Å; K628-K630 PolarHBondContact O-N 3.07Å; K630-N632 PolarHBondContact O-N 3.24Å; K630-N632 VanDerWaalsContact O-N 3.13Å
631M80.6Confident87.7Confident2 Ų258.6 Ų58.61%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-78.993.6172.3-117.5167.575.500109.6I217 C220 A221 L228 L230 V568 L635I217-M631 HydrophobicContact CG2-SD 4.09Å; C220-M631 HydrophobicContact CB-CE 3.72Å; A221-M631 HydrophobicContact CB-CB 4.5Å; A221-M631 HydrophobicContact CB-CE 3.68Å; A221-M631 HydrophobicContact CB-CG 3.99Å; L228-M631 HydrophobicContact CB-CB 3.86Å; L228-M631 HydrophobicContact CD1-CE 3.64Å; L228-M631 PolarHBondContact O-N 3.27Å; L230-M631 HydrophobicContact CD1-CG 4.36Å; L230-M631 HydrophobicContact CD1-SD 4.06Å; L230-M631 HydrophobicContact CD2-SD 4.38Å; L230-M631 HydrophobicContact CG-SD 4.49Å; V568-M631 HydrophobicContact CG2-SD 3.99Å; M631-L635 HydrophobicContact CG-CD2 4.12Å
632N86.8Confident87.8Confident55 Ų5557.9 Ų57.929%0.29431%0.313SS..  trans-93154.8174.3-69.3-23.4000110.7I227 K630 I634 L635 G636I227-N632 WeakPolarHBondContact CG2-OD1 3.5Å; K630-N632 PolarHBondContact O-N 3.24Å; K630-N632 VanDerWaalsContact O-N 3.13Å; N632-I634 PolarHBondContact O-N 3.12Å; N632-I634 VanDerWaalsContact O-N 3.11Å; N632-L635 WeakPolarHBondContact O-CA 3.32Å; N632-L635 WeakPolarHBondContact O-CB 3.24Å; N632-L635 PolarHBondContact O-N 3.15Å; N632-G636 PolarHBondContact O-N 2.89Å; N632-G636 VanDerWaalsContact O-N 3.11Å
633K88.8Confident88Confident117 Ų11753.3 Ų53.351%0.50929%0.289SS..Hα-helixtrans-57.1-29.2175.2-54.5-159.9177.5-141.90113.6L222 S224 G636 L637L222-K633 HydrophobicContact CD2-CB 4.13Å; L222-K633 VanDerWaalsContact CD2-O 3.27Å; L222-K633 WeakPolarHBondContact CD2-O 3.26Å; L222-K633 PolarHBondContact O-NZ 3.02Å; S224-K633 PolarHBondContact O-NZ 2.88Å; K633-G636 PolarHBondContact O-N 3.07Å; K633-L637 PolarHBondContact O-N 3.39Å
634I89.3Confident88.3Confident132 Ų13257.6 Ų57.668%0.67731%0.306SS*.Hα-helixtrans-64.5-45.2173.6-58.6174.1000110.9N632 G636 L637 T638N632-I634 PolarHBondContact O-N 3.12Å; N632-I634 VanDerWaalsContact O-N 3.11Å; I634-G636 VanDerWaalsContact C-N 3.3Å; I634-G636 PolarHBondContact O-N 3.16Å; I634-L637 PolarHBondContact O-N 3.35Å; I634-T638 PolarHBondContact O-N 3.42Å; I634-T638 PolarHBondContact O-OG1 3.46Å; I634-T638 VanDerWaalsContact O-OG1 3.13Å
635L88.4Confident88.5Confident10 Ų1060.9 Ų60.95%0.05233%0.326CS..Hα-helixtrans-60.8-42.9175.5-18066000110.3I624 C627 M631 N632 L637 T638 M639I624-L635 HydrophobicContact CG1-CD2 4.2Å; C627-L635 HydrophobicContact CB-CD2 4.31Å; M631-L635 HydrophobicContact CG-CD2 4.12Å; N632-L635 WeakPolarHBondContact O-CA 3.32Å; N632-L635 WeakPolarHBondContact O-CB 3.24Å; N632-L635 PolarHBondContact O-N 3.15Å; L635-L637 PolarHBondContact O-N 3.13Å; L635-T638 WeakPolarHBondContact O-CB 3.48Å; L635-T638 PolarHBondContact O-N 3.15Å; L635-M639 HydrophobicContact CD1-CE 3.59Å; L635-M639 HydrophobicContact CG-CE 4.44Å; L635-M639 WeakPolarHBondContact O-CG 3.47Å; L635-M639 PolarHBondContact O-N 3.49Å
636G90.6Very high88.7Confident0 Ų059 Ų590%031%0.309CS..Hα-helixtrans-56.1-49.817400000112.8N632 K633 I634 T638 M639 F640N632-G636 PolarHBondContact O-N 2.89Å; N632-G636 VanDerWaalsContact O-N 3.11Å; K633-G636 PolarHBondContact O-N 3.07Å; I634-G636 VanDerWaalsContact C-N 3.3Å; I634-G636 PolarHBondContact O-N 3.16Å; G636-T638 VanDerWaalsContact C-N 3.31Å; G636-T638 PolarHBondContact O-N 3.18Å; G636-M639 PolarHBondContact O-N 3.1Å; G636-M639 VanDerWaalsContact O-N 3.11Å; G636-F640 WeakPolarHBondContact O-CD2 3.29Å; G636-F640 PolarHBondContact O-N 3.3Å
637L91.6Very high88.9Confident114 Ų11456.7 Ų56.760%0.59729%0.286SS*.Hα-helixtrans-60.6-37.9176.3-17565.2000112.6K633 I634 L635 F640 A641K633-L637 PolarHBondContact O-N 3.39Å; I634-L637 PolarHBondContact O-N 3.35Å; L635-L637 PolarHBondContact O-N 3.13Å; L637-F640 PolarHBondContact O-N 3.15Å; L637-A641 PolarHBondContact O-N 3.42Å
638T90.6Very high89.1Confident55 Ų5559.7 Ų59.734%0.33730%0.298SS..Hα-helixtrans-62.3-43.9172.8-580000111.5F619 I634 L635 G636 F640 A641 L642F619-T638 HydrophobicContact CE1-CG2 4.37Å; I634-T638 PolarHBondContact O-N 3.42Å; I634-T638 PolarHBondContact O-OG1 3.46Å; I634-T638 VanDerWaalsContact O-OG1 3.13Å; L635-T638 WeakPolarHBondContact O-CB 3.48Å; L635-T638 PolarHBondContact O-N 3.15Å; G636-T638 VanDerWaalsContact C-N 3.31Å; G636-T638 PolarHBondContact O-N 3.18Å; T638-F640 PolarHBondContact O-N 3.41Å; T638-A641 PolarHBondContact O-N 3.05Å; T638-L642 HydrophobicContact CG2-CD1 4.23Å; T638-L642 HydrophobicContact CG2-CG 4.49Å; T638-L642 WeakPolarHBondContact O-CB 3.49Å; T638-L642 VanDerWaalsContact O-CG 3.27Å; T638-L642 WeakPolarHBondContact O-CG 3.34Å; T638-L642 PolarHBondContact O-N 3.23Å
639M91.1Very high89.3Confident4 Ų454.3 Ų54.32%0.0228%0.277CS..Hα-helixtrans-63.5-40177.5-64-57.9137.600112.7L214 V620 L635 G636 L642 Y643L214-M639 HydrophobicContact CD2-SD 3.71Å; L214-M639 WeakPolarHBondContact O-CB 3.25Å; V620-M639 HydrophobicContact CB-SD 4.36Å; V620-M639 HydrophobicContact CG1-SD 4.26Å; V620-M639 HydrophobicContact CG2-CE 4.35Å; V620-M639 HydrophobicContact CG2-SD 3.67Å; L635-M639 HydrophobicContact CD1-CE 3.59Å; L635-M639 HydrophobicContact CG-CE 4.44Å; L635-M639 WeakPolarHBondContact O-CG 3.47Å; L635-M639 PolarHBondContact O-N 3.49Å; G636-M639 PolarHBondContact O-N 3.1Å; G636-M639 VanDerWaalsContact O-N 3.11Å; M639-L642 HydrophobicContact CE-CD1 3.99Å; M639-L642 WeakPolarHBondContact O-CB 3.04Å; M639-L642 PolarHBondContact O-N 3.14Å; M639-L642 HydrophobicContact SD-CD1 3.82Å; M639-Y643 PolarHBondContact O-N 3.03Å
640F91.5Very high89.5Confident32 Ų3251.7 Ų51.714%0.1427%0.268CS..Hα-helixtrans-60.5-46.1171.1-88.9-80.5000112.8F215 G218 T219 L222 G636 L637 T638 L642 Y643 F644F215-F640 HydrophobicContact CD1-CE1 4.39Å; F215-F640 HydrophobicContact CD2-CD1 4.01Å; F215-F640 AromaticContact CD2-CE1 3.68Å; F215-F640 HydrophobicContact CD2-CE1 3.68Å; F215-F640 HydrophobicContact CE1-CE1 4.18Å; F215-F640 HydrophobicContact CE1-CZ 4.5Å; F215-F640 HydrophobicContact CE2-CD1 4.02Å; F215-F640 AromaticContact CE2-CE1 3.45Å; F215-F640 HydrophobicContact CE2-CE1 3.45Å; F215-F640 VanDerWaalsContact CE2-CE1 3.45Å; F215-F640 HydrophobicContact CE2-CZ 4.48Å; F215-F640 HydrophobicContact CG-CE1 4.16Å; F215-F640 AromaticContact CZ-CE1 3.72Å; F215-F640 HydrophobicContact CZ-CE1 3.72Å; F215-F640 HydrophobicContact CZ-CZ 4.41Å; G218-F640 VanDerWaalsContact C-CE2 3.42Å; T219-F640 WeakPolarHBondContact OG1-CZ 3.3Å; L222-F640 HydrophobicContact CD1-CD2 3.67Å; L222-F640 HydrophobicContact CD1-CE2 3.38Å; L222-F640 HydrophobicContact CD1-CZ 4.27Å; L222-F640 HydrophobicContact CG-CD2 4.32Å; L222-F640 HydrophobicContact CG-CE2 4.02Å; G636-F640 WeakPolarHBondContact O-CD2 3.29Å; G636-F640 PolarHBondContact O-N 3.3Å; L637-F640 PolarHBondContact O-N 3.15Å; T638-F640 PolarHBondContact O-N 3.41Å; F640-L642 VanDerWaalsContact C-N 3.32Å; F640-L642 PolarHBondContact O-N 3.06Å; F640-Y643 WeakPolarHBondContact O-CB 3.41Å; F640-Y643 PolarHBondContact O-N 3.16Å; F640-F644 HydrophobicContact CD1-CE2 4.29Å; F640-F644 WeakPolarHBondContact O-CD2 3.35Å; F640-F644 PolarHBondContact O-N 3.1Å
641A92.3Very high89.6Confident56 Ų5650 Ų5046%0.46326%0.264SS..Hα-helixtrans-61.6-41.9179.200000111.7L637 T638 Y643 F644 V645L637-A641 PolarHBondContact O-N 3.42Å; T638-A641 PolarHBondContact O-N 3.05Å; A641-Y643 PolarHBondContact O-N 3.09Å; A641-F644 PolarHBondContact O-N 2.76Å; A641-V645 WeakPolarHBondContact O-CG2 3.41Å; A641-V645 PolarHBondContact O-N 3.2Å
642L91.6Very high89.9Confident25 Ų2552.9 Ų52.913%0.13128%0.279CS..Hα-helixtrans-59.7-41.9173.8-74.3171.9000112.7L214 M616 F619 T638 M639 F640 V645 F646L214-L642 HydrophobicContact CD1-CB 4.12Å; L214-L642 HydrophobicContact CD2-CB 4.16Å; L214-L642 HydrophobicContact CD2-CD1 4.24Å; M616-L642 HydrophobicContact CE-CB 3.6Å; M616-L642 HydrophobicContact CE-CD2 3.98Å; M616-L642 HydrophobicContact CE-CG 4.28Å; M616-L642 WeakPolarHBondContact CE-O 3.33Å; F619-L642 HydrophobicContact CD1-CD1 3.33Å; F619-L642 HydrophobicContact CD1-CD2 3.91Å; F619-L642 HydrophobicContact CD1-CG 4.24Å; F619-L642 HydrophobicContact CE1-CD1 3.48Å; F619-L642 VanDerWaalsContact CE1-CD1 3.48Å; F619-L642 HydrophobicContact CE1-CD2 3.86Å; F619-L642 HydrophobicContact CE1-CG 4.17Å; F619-L642 HydrophobicContact CG-CD1 4.37Å; F619-L642 HydrophobicContact CG-CD2 4.37Å; F619-L642 HydrophobicContact CZ-CD2 4.24Å; T638-L642 HydrophobicContact CG2-CD1 4.23Å; T638-L642 HydrophobicContact CG2-CG 4.49Å; T638-L642 WeakPolarHBondContact O-CB 3.49Å; T638-L642 VanDerWaalsContact O-CG 3.27Å; T638-L642 WeakPolarHBondContact O-CG 3.34Å; T638-L642 PolarHBondContact O-N 3.23Å; M639-L642 HydrophobicContact CE-CD1 3.99Å; M639-L642 WeakPolarHBondContact O-CB 3.04Å; M639-L642 PolarHBondContact O-N 3.14Å; M639-L642 HydrophobicContact SD-CD1 3.82Å; F640-L642 VanDerWaalsContact C-N 3.32Å; F640-L642 PolarHBondContact O-N 3.06Å; L642-V645 PolarHBondContact O-N 3.27Å; L642-F646 PolarHBondContact O-N 3.14Å
643Y93.1Very high89.8Confident16 Ų1650.9 Ų50.96%0.06327%0.268CS..Hα-helixtrans-60.1-48.2177.6176.1-102.3000111.8V210 F211 L214 F215 M639 F640 A641 V645 F646 L647V210-Y643 HydrophobicContact CG1-CD2 4.25Å; F211-Y643 HydrophobicContact CB-CE2 4.19Å; F211-Y643 AromaticContact CD2-CE2 3.96Å; F211-Y643 HydrophobicContact CD2-CE2 3.96Å; F211-Y643 AromaticContact CD2-CZ 3.82Å; L214-Y643 HydrophobicContact CB-CD2 4.35Å; F215-Y643 HydrophobicContact CB-CD2 4.27Å; F215-Y643 HydrophobicContact CB-CE2 4.48Å; F215-Y643 HydrophobicContact CB-CG 4.35Å; F215-Y643 AromaticContact CD2-CD1 3.69Å; F215-Y643 HydrophobicContact CD2-CD1 3.69Å; F215-Y643 AromaticContact CD2-CE1 3.73Å; F215-Y643 HydrophobicContact CD2-CE1 3.73Å; F215-Y643 HydrophobicContact CD2-CG 4.24Å; F215-Y643 HydrophobicContact CE2-CD1 4.45Å; F215-Y643 HydrophobicContact CE2-CE1 4.31Å; M639-Y643 PolarHBondContact O-N 3.03Å; F640-Y643 WeakPolarHBondContact O-CB 3.41Å; F640-Y643 PolarHBondContact O-N 3.16Å; A641-Y643 PolarHBondContact O-N 3.09Å; Y643-V645 PolarHBondContact O-N 3.4Å; Y643-F646 PolarHBondContact O-N 3.35Å; Y643-L647 HydrophobicContact CD1-CD1 4.06Å; Y643-L647 HydrophobicContact CD1-CG 4.37Å; Y643-L647 HydrophobicContact CE1-CD1 3.37Å; Y643-L647 HydrophobicContact CE1-CG 3.94Å; Y643-L647 HydrophobicContact CE2-CD1 4.47Å; Y643-L647 HydrophobicContact CE2-CD2 4.31Å; Y643-L647 HydrophobicContact CE2-CG 4.25Å; Y643-L647 WeakPolarHBondContact O-CG 3.48Å; Y643-L647 PolarHBondContact O-N 3.31Å
644F92Very high89.5Confident108 Ų10847.9 Ų47.947%0.47426%0.256SS..Hα-helixtrans-66.3-35.7177.4-68.9-65.9000112.9F640 A641 L647 I648F640-F644 HydrophobicContact CD1-CE2 4.29Å; F640-F644 WeakPolarHBondContact O-CD2 3.35Å; F640-F644 PolarHBondContact O-N 3.1Å; A641-F644 PolarHBondContact O-N 2.76Å; F644-L647 HydrophobicContact CD1-CD1 4.39Å; F644-L647 PolarHBondContact O-N 3.21Å; F644-I648 WeakPolarHBondContact O-CD1 3.47Å; F644-I648 VanDerWaalsContact O-CG1 3.25Å; F644-I648 WeakPolarHBondContact O-CG1 3.43Å; F644-I648 PolarHBondContact O-N 2.69Å
645V91.6Very high89.2Confident75 Ų7545.9 Ų45.946%0.45525%0.246SC..Hα-helixtrans-62.8-44.9172.9168.90000111A641 L642 Y643 I648 I649A641-V645 WeakPolarHBondContact O-CG2 3.41Å; A641-V645 PolarHBondContact O-N 3.2Å; L642-V645 PolarHBondContact O-N 3.27Å; Y643-V645 PolarHBondContact O-N 3.4Å; V645-I648 PolarHBondContact O-N 3.33Å; V645-I649 HydrophobicContact CG1-CD1 3.7Å; V645-I649 HydrophobicContact CG1-CG1 4.5Å; V645-I649 VanDerWaalsContact O-CG1 3.29Å; V645-I649 WeakPolarHBondContact O-CG1 3.27Å; V645-I649 PolarHBondContact O-N 2.87Å
646F89.9Confident88.7Confident4 Ų455.6 Ų55.62%0.01828%0.282CS..Hα-helixtrans-59.7-49.4174.5169.6-92.1000111.7V210 L540 L612 M616 L642 Y643 I648 I649 S650V210-F646 HydrophobicContact CB-CD1 4.15Å; V210-F646 HydrophobicContact CB-CE1 3.89Å; V210-F646 HydrophobicContact CB-CZ 4.2Å; V210-F646 HydrophobicContact CG1-CB 4.39Å; V210-F646 HydrophobicContact CG1-CD1 3.58Å; V210-F646 HydrophobicContact CG1-CD2 4.34Å; V210-F646 HydrophobicContact CG1-CE1 3.87Å; V210-F646 HydrophobicContact CG1-CG 3.84Å; V210-F646 HydrophobicContact CG1-CZ 4.36Å; V210-F646 HydrophobicContact CG2-CD1 4.32Å; V210-F646 HydrophobicContact CG2-CD2 4.38Å; V210-F646 HydrophobicContact CG2-CE1 3.83Å; V210-F646 HydrophobicContact CG2-CE2 3.89Å; V210-F646 HydrophobicContact CG2-CZ 3.59Å; L540-F646 HydrophobicContact CD1-CZ 4.42Å; L540-F646 HydrophobicContact CD2-CE1 4.19Å; L612-F646 HydrophobicContact CB-CD2 4.27Å; L612-F646 HydrophobicContact CB-CE2 4.04Å; M616-F646 HydrophobicContact CE-CB 4.08Å; M616-F646 HydrophobicContact CG-CD2 4.32Å; L642-F646 PolarHBondContact O-N 3.14Å; Y643-F646 PolarHBondContact O-N 3.35Å; F646-I648 VanDerWaalsContact C-N 3.33Å; F646-I648 PolarHBondContact O-N 3.29Å; F646-I649 PolarHBondContact O-N 2.86Å; F646-S650 WeakPolarHBondContact CE2-OG 3.5Å; F646-S650 VanDerWaalsContact CZ-OG 3.3Å; F646-S650 WeakPolarHBondContact CZ-OG 3.34Å; F646-S650 WeakPolarHBondContact O-CB 3.4Å; F646-S650 PolarHBondContact O-N 3.42Å; F646-S650 PolarHBondContact O-OG 3.29Å
647L89.4Confident88.4Confident30 Ų3061 Ų6116%0.15731%0.31CS..Hα-helixtrans-55.6-47.5178.6-75.5-172.4000112.1L540 T541 Y643 F644 S650 V651L540-L647 HydrophobicContact CD2-CD2 4.5Å; T541-L647 HydrophobicContact CG2-CD2 4.03Å; Y643-L647 HydrophobicContact CD1-CD1 4.06Å; Y643-L647 HydrophobicContact CD1-CG 4.37Å; Y643-L647 HydrophobicContact CE1-CD1 3.37Å; Y643-L647 HydrophobicContact CE1-CG 3.94Å; Y643-L647 HydrophobicContact CE2-CD1 4.47Å; Y643-L647 HydrophobicContact CE2-CD2 4.31Å; Y643-L647 HydrophobicContact CE2-CG 4.25Å; Y643-L647 WeakPolarHBondContact O-CG 3.48Å; Y643-L647 PolarHBondContact O-N 3.31Å; F644-L647 HydrophobicContact CD1-CD1 4.39Å; F644-L647 PolarHBondContact O-N 3.21Å; L647-S650 PolarHBondContact O-N 2.79Å; L647-V651 WeakPolarHBondContact O-CB 3.33Å; L647-V651 VanDerWaalsContact O-CG2 3.3Å; L647-V651 WeakPolarHBondContact O-CG2 3.43Å; L647-V651 PolarHBondContact O-N 3.12Å
648I90.5Very high88.1Confident103 Ų10358.7 Ų58.753%0.52830%0.297SS..Hα-helixtrans-62.1-46.6179.4-68.5164.7000110.5F644 V645 F646 M652F644-I648 WeakPolarHBondContact O-CD1 3.47Å; F644-I648 VanDerWaalsContact O-CG1 3.25Å; F644-I648 WeakPolarHBondContact O-CG1 3.43Å; F644-I648 PolarHBondContact O-N 2.69Å; V645-I648 PolarHBondContact O-N 3.33Å; F646-I648 VanDerWaalsContact C-N 3.33Å; F646-I648 PolarHBondContact O-N 3.29Å; I648-M652 HydrophobicContact CG2-CG 4.44Å; I648-M652 HydrophobicContact CG2-SD 3.78Å; I648-M652 WeakPolarHBondContact O-CB 3.19Å; I648-M652 WeakPolarHBondContact O-CG 3.29Å; I648-M652 PolarHBondContact O-N 2.83Å
649I88.8Confident87.5Confident60 Ų6061.1 Ų61.131%0.30832%0.317SS..Hα-helixtrans-63.6-45.6179.5-68.3169.8000110.9L612 V645 F646 M652 L653L612-I649 HydrophobicContact CD1-CG2 3.67Å; V645-I649 HydrophobicContact CG1-CD1 3.7Å; V645-I649 HydrophobicContact CG1-CG1 4.5Å; V645-I649 VanDerWaalsContact O-CG1 3.29Å; V645-I649 WeakPolarHBondContact O-CG1 3.27Å; V645-I649 PolarHBondContact O-N 2.87Å; F646-I649 PolarHBondContact O-N 2.86Å; I649-M652 PolarHBondContact O-N 3.45Å; I649-L653 HydrophobicContact CG2-CD1 3.8Å; I649-L653 HydrophobicContact CG2-CG 4.36Å; I649-L653 VanDerWaalsContact O-CG 3.32Å; I649-L653 WeakPolarHBondContact O-CG 3.39Å; I649-L653 PolarHBondContact O-N 2.6Å
650S85.8Confident86.8Confident8 Ų862.3 Ų62.36%0.05633%0.325CS..Hα-helixtrans-65.1-41.3-178.8-65.50000112.6F646 L647 L653 E654F646-S650 WeakPolarHBondContact CE2-OG 3.5Å; F646-S650 VanDerWaalsContact CZ-OG 3.3Å; F646-S650 WeakPolarHBondContact CZ-OG 3.34Å; F646-S650 WeakPolarHBondContact O-CB 3.4Å; F646-S650 PolarHBondContact O-N 3.42Å; F646-S650 PolarHBondContact O-OG 3.29Å; L647-S650 PolarHBondContact O-N 2.79Å; S650-L653 PolarHBondContact O-N 3.38Å; S650-E654 PolarHBondContact O-N 2.91Å; S650-E654 VanDerWaalsContact O-N 3.11Å
651V86.4Confident85.8Confident43 Ų4366.4 Ų66.426%0.26136%0.355SS..Hα-helixtrans-63.7-44.51731730000110.8I537 T541 L647 L653 E654 D655I537-V651 HydrophobicContact CD1-CG1 4.49Å; I537-V651 HydrophobicContact CG2-CG2 4.02Å; T541-V651 HydrophobicContact CG2-CG2 4.41Å; L647-V651 WeakPolarHBondContact O-CB 3.33Å; L647-V651 VanDerWaalsContact O-CG2 3.3Å; L647-V651 WeakPolarHBondContact O-CG2 3.43Å; L647-V651 PolarHBondContact O-N 3.12Å; V651-L653 VanDerWaalsContact C-N 3.29Å; V651-L653 PolarHBondContact O-N 3.37Å; V651-E654 PolarHBondContact O-N 3.09Å; V651-D655 WeakPolarHBondContact O-CB 3.1Å; V651-D655 PolarHBondContact O-N 3.33Å
652M88Confident84.5Confident63 Ų6366.9 Ų66.931%0.3135%0.352SS..Hα-helixtrans-65.8-27.8178.4-72.2179.177.900114.1I648 I649 I657 I658I648-M652 HydrophobicContact CG2-CG 4.44Å; I648-M652 HydrophobicContact CG2-SD 3.78Å; I648-M652 WeakPolarHBondContact O-CB 3.19Å; I648-M652 WeakPolarHBondContact O-CG 3.29Å; I648-M652 PolarHBondContact O-N 2.83Å; I649-M652 PolarHBondContact O-N 3.45Å; M652-I657 HydrophobicContact CB-CB 4.37Å; M652-I657 HydrophobicContact CE-CB 4.49Å; M652-I657 HydrophobicContact CE-CG2 3.76Å; M652-I657 HydrophobicContact CG-CD1 4.44Å; M652-I657 WeakPolarHBondContact O-CB 3.08Å; M652-I657 PolarHBondContact O-N 3.4Å; M652-I658 HydrophobicContact CB-CD1 3.78Å; M652-I658 HydrophobicContact CB-CG1 4.07Å; M652-I658 HydrophobicContact CE-CD1 3.83Å; M652-I658 HydrophobicContact CE-CG1 4.05Å; M652-I658 PolarHBondContact O-N 3.27Å; M652-I658 HydrophobicContact SD-CD1 4.11Å
653L84.3Confident82.7Confident14 Ų1470.8 Ų70.87%0.07338%0.381CS..Hα-helixtrans-72.3-45.1173-76.8163.8000111.4C608 L612 I649 S650 V651 R656 I658C608-L653 HydrophobicContact CB-CD1 4.13Å; C608-L653 VanDerWaalsContact SG-CD1 3.53Å; L612-L653 HydrophobicContact CD1-CD1 3.54Å; I649-L653 HydrophobicContact CG2-CD1 3.8Å; I649-L653 HydrophobicContact CG2-CG 4.36Å; I649-L653 VanDerWaalsContact O-CG 3.32Å; I649-L653 WeakPolarHBondContact O-CG 3.39Å; I649-L653 PolarHBondContact O-N 2.6Å; S650-L653 PolarHBondContact O-N 3.38Å; V651-L653 VanDerWaalsContact C-N 3.29Å; V651-L653 PolarHBondContact O-N 3.37Å; L653-R656 WeakPolarHBondContact O-CA 3.4Å; L653-R656 PolarHBondContact O-N 3.18Å; L653-R656 VanDerWaalsContact O-N 3.09Å; L653-I658 HydrophobicContact CD2-CB 4.09Å; L653-I658 HydrophobicContact CD2-CG2 3.81Å; L653-I658 HydrophobicContact CG-CB 4.49Å
654E82.3Confident80.8Confident54 Ų5475.5 Ų75.525%0.25241%0.412SS..Hα-helixtrans-73.5-37.9-177.3-163.455.5-136.300112.1E536 I537 G605 S650 V651 R656E536-E654 HydrophobicContact CB-CG 4.24Å; I537-E654 HydrophobicContact CD1-CB 4.02Å; I537-E654 HydrophobicContact CD1-CG 4.08Å; I537-E654 HydrophobicContact CG1-CB 3.8Å; I537-E654 HydrophobicContact CG1-CG 3.74Å; G605-E654 WeakPolarHBondContact CA-OE2 3.4Å; S650-E654 PolarHBondContact O-N 2.91Å; S650-E654 VanDerWaalsContact O-N 3.11Å; V651-E654 PolarHBondContact O-N 3.09Å; E654-R656 PolarHBondContact O-N 3.31Å
655D82.6Confident80.2Confident89 Ų8973.9 Ų73.948%0.47641%0.409SS..THydrogen-bonded Turntrans-67.2-0.1168.1-75.2-21.6000113.1V651 I657V651-D655 WeakPolarHBondContact O-CB 3.1Å; V651-D655 PolarHBondContact O-N 3.33Å; D655-I657 HydrophobicContact CB-CD1 3.96Å; D655-I657 HydrophobicContact CB-CG1 3.96Å; D655-I657 PolarHBondContact O-N 3.26Å; D655-I657 VanDerWaalsContact O-N 3.14Å
656R79.8Confident79.6Confident215 Ų21573.8 Ų73.881%0.81141%0.406SS*.THydrogen-bonded Turntrans56.324.5-178.7-51.7-173.4-177.8-166.20.1114.7L653 E654 I658L653-R656 WeakPolarHBondContact O-CA 3.4Å; L653-R656 PolarHBondContact O-N 3.18Å; L653-R656 VanDerWaalsContact O-N 3.09Å; E654-R656 PolarHBondContact O-N 3.31Å; R656-I658 VanDerWaalsContact C-N 3.31Å
657I84.3Confident79Confident113 Ų11377.7 Ų77.758%0.57943%0.428SS*.SBendtrans-70.7-34.9171.8-57.8171.7000109.6M652 D655M652-I657 HydrophobicContact CB-CB 4.37Å; M652-I657 HydrophobicContact CE-CB 4.49Å; M652-I657 HydrophobicContact CE-CG2 3.76Å; M652-I657 HydrophobicContact CG-CD1 4.44Å; M652-I657 WeakPolarHBondContact O-CB 3.08Å; M652-I657 PolarHBondContact O-N 3.4Å; D655-I657 HydrophobicContact CB-CD1 3.96Å; D655-I657 HydrophobicContact CB-CG1 3.96Å; D655-I657 PolarHBondContact O-N 3.26Å; D655-I657 VanDerWaalsContact O-N 3.14Å
658I83.3Confident78.4Confident65 Ų6580.5 Ų80.533%0.33344%0.444SS..SBendtrans-113.5128173-61.1174.8000108.3M652 L653 R656M652-I658 HydrophobicContact CB-CD1 3.78Å; M652-I658 HydrophobicContact CB-CG1 4.07Å; M652-I658 HydrophobicContact CE-CD1 3.83Å; M652-I658 HydrophobicContact CE-CG1 4.05Å; M652-I658 PolarHBondContact O-N 3.27Å; M652-I658 HydrophobicContact SD-CD1 4.11Å; L653-I658 HydrophobicContact CD2-CB 4.09Å; L653-I658 HydrophobicContact CD2-CG2 3.81Å; L653-I658 HydrophobicContact CG-CB 4.49Å; R656-I658 VanDerWaalsContact C-N 3.31Å
659S78.8Confident77.7Confident106 Ų10679.1 Ų79.174%0.74144%0.438SS*.  trans-73.8133.4167.9-57.90000110.1P661S659-P661 WeakPolarHBondContact O-CD 3.1Å
660C75.7Confident76.9Confident29 Ų2980.4 Ų80.420%0.19645%0.447CS..  trans-54.8124.7168.5-179.20000109.4C608 V662C608-C660 HydrophobicContact CB-CB 4.09Å; C608-C660 VanDerWaalsContact CB-SG 3.53Å; C608-C660 PolarHBondContact SG-SG 3.49Å; C660-V662 PolarHBondContact O-N 3.4Å; C660-V662 PolarHBondContact SG-N 3.45Å; C660-V662 PolarHBondContact SG-O 3.37Å
661P70.6Confident76.3Confident118 Ų11885.6 Ų85.677%0.76648%0.475SS*.SBendtrans-73.3-12.1178.430.3-35.4000112.7S659S659-P661 WeakPolarHBondContact O-CD 3.1Å
662V66.4Low75.5Confident67 Ų6788.8 Ų88.841%0.40649%0.492SS..  trans-106.990174.5-164.10000108F607 C660F607-V662 HydrophobicContact CE1-CB 4.03Å; F607-V662 HydrophobicContact CE1-CG1 3.68Å; F607-V662 HydrophobicContact CZ-CG1 4.38Å; C660-V662 PolarHBondContact O-N 3.4Å; C660-V662 PolarHBondContact SG-N 3.45Å; C660-V662 PolarHBondContact SG-O 3.37Å
663S54.1Low74.5Confident106 Ų10691 Ų9174%0.74151%0.507SS*.  trans-77126.7163.856.80000108.7
664V51.7Low73.6Confident116 Ų11698 Ų9870%0.70355%0.546SS*.  trans-98.50166.9-160.20000109.1L254 F607L254-V664 HydrophobicContact CB-CG1 4.07Å; L254-V664 HydrophobicContact CD2-CG1 3.81Å; L254-V664 HydrophobicContact CD2-CG2 4.01Å; L254-V664 WeakPolarHBondContact O-CG1 3.3Å; F607-V664 HydrophobicContact CD1-CG2 3.92Å; F607-V664 HydrophobicContact CD2-CG2 4.49Å; F607-V664 HydrophobicContact CE1-CG2 3.62Å; F607-V664 HydrophobicContact CE2-CG2 4.22Å; F607-V664 HydrophobicContact CG-CG2 4.35Å; F607-V664 HydrophobicContact CZ-CG2 3.77Å

Retrieved 664 of 664 residues in 174.3 ms (Link to these results)

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