A0A087YLT2_POEFO Loading...

Ubiquilin 1

AlphaFold DB , UniProt , Accession A0A087YLT2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 535 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
1M36Very low38.8Very low232 Ų232150.4 Ų150.4100%1.14380%0.796SS**  097.50-71-179.3166.100106
2S39.5Very low39Very low112 Ų112146.3 Ų146.378%0.78379%0.785SS**  101.5136.8108.1-60.80000107.6
3D36.3Very low39Very low140 Ų140148.2 Ų148.275%0.74979%0.786SS**  cis-166.8163.54.1-155.8-90.2000108.6
4S47.7Very low39Very low91 Ų91145.2 Ų145.264%0.63678%0.776SS**  trans-6.4130.9161.8-55.40000120.7
5V44.7Very low38.9Very low140 Ų140144.3 Ų144.385%0.84878%0.782SS**  68116.881.2178.70000115.4
6K38.7Very low38.8Very low194 Ų194145.3 Ų145.384%0.84379%0.785SS**  trans-177.7135.7137.7-150.9147.3-179.5-176.20108.1
7D35.8Very low38.9Very low128 Ų128150.9 Ų150.968%0.68479%0.793SS**  cis-160.3166.1-7-149.7-69.8000106.7
8K38.2Very low39.6Very low177 Ų177148.4 Ų148.477%0.7779%0.789SS**  trans-55.5141.3-177.7-72.5166.6161.1-178.10114.2
9H34.2Very low40.8Very low183 Ų183145.6 Ų145.685%0.84778%0.775SS**  trans-125.3112.7134-157.3-84.9000108.7
10V43.2Very low42.1Very low112 Ų112146.5 Ų146.568%0.67977%0.767SS**  trans-68.6123.8167.5160.70000108.1
11N32.4Very low43.2Very low145 Ų145139.8 Ų139.878%0.77573%0.732SS**  trans-156.9134.6132.5-141.95.8000108.7
12P42Very low44.7Very low102 Ų102132.9 Ų132.966%0.66270%0.697SS**  trans-84.8135.3-157.234.1-31.3000112.2
13E38.5Very low46Very low171 Ų171127.6 Ų127.680%0.79966%0.659SS**  trans20.4121.6139.1-53.8-157.9100.600119.4
14T38.7Very low47.5Very low106 Ų106123.6 Ų123.665%0.6564%0.64SS**  trans64.1117140.952.10000119.7L16T14-L16 PolarHBondContact O-N 3.42Å
15P38.1Very low48.6Very low132 Ų132119.3 Ų119.386%0.85761%0.61SS**  trans-71.7102.1158.729.1-26.6000108R17P15-R17 PolarHBondContact O-N 2.99Å; P15-R17 VanDerWaalsContact O-N 3.08Å
16L37.3Very low49.6Very low160 Ų160120.8 Ų120.884%0.83860%0.6SS**  trans-43.4111.7175.5-71.2160.5000111.1T14 S18T14-L16 PolarHBondContact O-N 3.42Å; L16-S18 PolarHBondContact O-N 3.05Å
17R40.9Very low50.6Low241 Ų241112.4 Ų112.491%0.90957%0.566SS**  trans-64122.6166.7-91.9-177.7168.5179.4-2.8108.9P15P15-R17 PolarHBondContact O-N 2.99Å; P15-R17 VanDerWaalsContact O-N 3.08Å
18S50Low51.4Low105 Ų105111.7 Ų111.773%0.73458%0.578SS**  trans70.661.3150-52.40000118.7L16 R20L16-S18 PolarHBondContact O-N 3.05Å; S18-R20 PolarHBondContact O-N 3.09Å
19D63.6Low52Low95 Ų95107.6 Ų107.651%0.50857%0.572SS.*  trans-87.164.2158.7-166.326.6000110.6G38D19-G38 PolarHBondContact O-N 2.95Å; D19-G38 WeakPolarHBondContact OD2-CA 3.49Å
20R65.7Low53.1Low164 Ų164103.8 Ų103.862%0.61955%0.554SS**EExtended strand (participates in β ladder)trans-111.5115.6174.4-71.8-179.689.2146.92.3108.1S18 T35 V36S18-R20 PolarHBondContact O-N 3.09Å; R20-T35 HydrophobicContact CB-CG2 3.84Å; R20-T35 HydrophobicContact CG-CG2 4.47Å; R20-V36 CarbonylContact C-O 3.52Å; R20-V36 WeakPolarHBondContact CA-O 3.29Å
21T66.9Low53.9Low5 Ų5101.1 Ų101.13%0.03155%0.549CS..EExtended strand (participates in β ladder)trans-95.9131.6-179.9-48.60000109.3V36 T79 I85T21-V36 PolarHBondContact N-O 3.46Å; T21-V36 PolarHBondContact O-N 2.97Å; T21-T79 HydrophobicContact CG2-CG2 3.27Å; T21-I85 HydrophobicContact CG2-CD1 3.77Å; T21-I85 HydrophobicContact CG2-CG1 3.87Å
22H65.8Low55.7Low88 Ų8898.9 Ų98.941%0.40753%0.53SS..EExtended strand (participates in β ladder)trans-80.6132.1169.9-66.7-85000108.8T35 G83 S84 I85H22-T35 PolarHBondContact CE1-OG1 3.39Å; H22-T35 PolarHBondContact ND1-OG1 2.99Å; H22-G83 PolarHBondContact N-O 3.49Å; H22-S84 CarbonylContact O-C 3.58Å; H22-S84 WeakPolarHBondContact O-CA 3.36Å; H22-I85 PolarHBondContact O-N 3.37Å
23V66.6Low57Low0 Ų098.3 Ų98.30%053%0.525CS..EExtended strand (participates in β ladder)trans-121.6112.8-178.6164.60000106.9T33 F34 V36 I85 L87V23-T33 CarbonylContact O-C 3.6Å; V23-T33 WeakPolarHBondContact O-CA 3.17Å; V23-F34 PolarHBondContact N-O 3.39Å; V23-F34 PolarHBondContact O-N 3.19Å; V23-V36 HydrophobicContact CB-CG2 4.38Å; V23-V36 HydrophobicContact CG2-CB 4.41Å; V23-V36 HydrophobicContact CG2-CG2 4.09Å; V23-I85 CarbonylContact C-O 3.54Å; V23-I85 WeakPolarHBondContact CA-O 3.25Å; V23-I85 HydrophobicContact CG2-CB 4.33Å; V23-L87 HydrophobicContact CB-CD1 4.3Å; V23-L87 HydrophobicContact CG1-CB 4.49Å; V23-L87 HydrophobicContact CG1-CD1 3.25Å; V23-L87 HydrophobicContact CG1-CG 4.38Å; V23-L87 HydrophobicContact CG2-CD1 4.2Å
24V69.1Low58.6Low56 Ų5691.8 Ų91.834%0.33949%0.494SS..EExtended strand (participates in β ladder)trans-94.8108.7175.3-176.80000107.5T33 I85 S86 L87V24-T33 HydrophobicContact CG2-CG2 4.02Å; V24-I85 PolarHBondContact N-O 3.2Å; V24-S86 CarbonylContact O-C 3.59Å; V24-S86 VanDerWaalsContact O-CA 3.29Å; V24-S86 WeakPolarHBondContact O-CA 3.44Å; V24-L87 PolarHBondContact O-N 3.49Å
25L70.3Confident60.3Low1 Ų189.8 Ų89.81%0.00548%0.481CS..EExtended strand (participates in β ladder)trans-84.5126.4175.5-155.674.8000109.7G31 R32 F34 L49 L53 L62 L87 V89L25-G31 CarbonylContact O-C 3.52Å; L25-G31 WeakPolarHBondContact O-CA 3.42Å; L25-R32 WeakPolarHBondContact CA-O 3.35Å; L25-R32 WeakPolarHBondContact CB-O 3.37Å; L25-R32 PolarHBondContact N-O 2.83Å; L25-R32 PolarHBondContact O-N 3.35Å; L25-F34 HydrophobicContact CB-CD2 4.31Å; L25-F34 HydrophobicContact CB-CE2 3.98Å; L25-F34 HydrophobicContact CD2-CE2 4.08Å; L25-L49 HydrophobicContact CD1-CD1 3.85Å; L25-L49 HydrophobicContact CD2-CD1 4.39Å; L25-L49 HydrophobicContact CD2-CD2 4.04Å; L25-L53 HydrophobicContact CD2-CD1 3.55Å; L25-L53 HydrophobicContact CD2-CD2 4.34Å; L25-L53 HydrophobicContact CD2-CG 4.47Å; L25-L62 HydrophobicContact CD1-CD2 4Å; L25-L87 CarbonylContact C-O 3.55Å; L25-L87 WeakPolarHBondContact CA-O 3.41Å; L25-L87 HydrophobicContact CD1-CB 3.75Å; L25-V89 HydrophobicContact CD1-CB 4.39Å; L25-V89 HydrophobicContact CD1-CG2 3.29Å; L25-V89 HydrophobicContact CD2-CB 4.33Å; L25-V89 HydrophobicContact CD2-CG2 3.78Å; L25-V89 HydrophobicContact CG-CB 4.34Å; L25-V89 HydrophobicContact CG-CG2 3.69Å
26R65.2Low62Low172 Ų17284.5 Ų84.565%0.64945%0.447SS*.EExtended strand (participates in β ladder)trans-108.997.2170.9-168.6-175.4-67.3-135.81.8107.9L87 C88 V89R26-L87 PolarHBondContact N-O 2.8Å; R26-C88 WeakPolarHBondContact O-CA 3.27Å; R26-V89 PolarHBondContact O-N 3.34Å
27S59.4Low63.7Low18 Ų1885 Ų8513%0.12644%0.437CS..EExtended strand (participates in β ladder)trans-95.3154.3171.1-176.40000109.3S29 E30S27-S29 PolarHBondContact O-N 2.94Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S27-E30 VanDerWaalsContact CB-O 3.28Å; S27-E30 WeakPolarHBondContact CB-O 3.34Å; S27-E30 PolarHBondContact N-O 2.92Å; S27-E30 PolarHBondContact O-N 3.23Å
28A53.7Low64.8Low112 Ų11273.5 Ų73.593%0.92639%0.394SS*.THydrogen-bonded Turntrans-56.9-24.6-179.500000113.9
29S51.2Low65.7Low92 Ų9273.8 Ų73.864%0.64339%0.388SS*.THydrogen-bonded Turntrans-104-21.3-178.263.10000114.8S27S27-S29 PolarHBondContact O-N 2.94Å; S27-S29 VanDerWaalsContact O-N 3.07Å
30E56Low66.3Low103 Ų10370.5 Ų70.548%0.48137%0.372SS..EExtended strand (participates in β ladder)trans-169.1143.1-177.6-157.1-176.1-179.800111.8S27 R32S27-E30 VanDerWaalsContact CB-O 3.28Å; S27-E30 WeakPolarHBondContact CB-O 3.34Å; S27-E30 PolarHBondContact N-O 2.92Å; S27-E30 PolarHBondContact O-N 3.23Å; E30-R32 IonicContact OE2-CZ 3.27Å; E30-R32 VanDerWaalsContact OE2-CZ 3.26Å; E30-R32 IonicContact OE2-NE 2.74Å; E30-R32 PolarHBondContact OE2-NE 3.1Å; E30-R32 IonicContact OE2-NH2 3.28Å; E30-R32 PolarHBondContact OE2-NH2 3.44Å
31G60.4Low67Low56 Ų5664.6 Ų64.658%0.57735%0.354SS*.EExtended strand (participates in β ladder)trans-91.512817000000111.9L25L25-G31 CarbonylContact O-C 3.52Å; L25-G31 WeakPolarHBondContact O-CA 3.42Å
32R69.8Low67.6Low97 Ų9764.3 Ų64.337%0.36635%0.352SS..EExtended strand (participates in β ladder)trans-131.9132.9179.6-69.5-174-175.6-165.7-0.7112.1L25 E30 F34 R52L25-R32 WeakPolarHBondContact CA-O 3.35Å; L25-R32 WeakPolarHBondContact CB-O 3.37Å; L25-R32 PolarHBondContact N-O 2.83Å; L25-R32 PolarHBondContact O-N 3.35Å; E30-R32 IonicContact OE2-CZ 3.27Å; E30-R32 VanDerWaalsContact OE2-CZ 3.26Å; E30-R32 IonicContact OE2-NE 2.74Å; E30-R32 PolarHBondContact OE2-NE 3.1Å; E30-R32 IonicContact OE2-NH2 3.28Å; E30-R32 PolarHBondContact OE2-NH2 3.44Å; R32-F34 HydrophobicContact CB-CE2 3.57Å; R32-F34 HydrophobicContact CB-CZ 3.65Å; R32-R52 PolarHBondContact NH1-O 2.78Å
33T69.9Low68.2Low90 Ų9062.2 Ų62.255%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-101131179-530000111V23 V24V23-T33 CarbonylContact O-C 3.6Å; V23-T33 WeakPolarHBondContact O-CA 3.17Å; V24-T33 HydrophobicContact CG2-CG2 4.02Å
34F72.7Confident69Low34 Ų3466.9 Ų66.915%0.14937%0.367CS..EExtended strand (participates in β ladder)trans-124.1150177.9-55-83.6000110V23 L25 R32 V36 L49 R52V23-F34 PolarHBondContact N-O 3.39Å; V23-F34 PolarHBondContact O-N 3.19Å; L25-F34 HydrophobicContact CB-CD2 4.31Å; L25-F34 HydrophobicContact CB-CE2 3.98Å; L25-F34 HydrophobicContact CD2-CE2 4.08Å; R32-F34 HydrophobicContact CB-CE2 3.57Å; R32-F34 HydrophobicContact CB-CZ 3.65Å; F34-V36 HydrophobicContact CB-CG2 4.34Å; F34-L49 HydrophobicContact CD2-CD2 3.7Å; F34-L49 HydrophobicContact CE1-CD2 4.47Å; F34-L49 HydrophobicContact CE2-CD2 3.46Å; F34-L49 VanDerWaalsContact CE2-CD2 3.46Å; F34-L49 HydrophobicContact CG-CD2 4.3Å; F34-L49 HydrophobicContact CZ-CD2 3.88Å; F34-R52 HydrophobicContact CE1-CB 4Å; F34-R52 HydrophobicContact CE1-CG 4.23Å; F34-R52 HydrophobicContact CZ-CB 4.34Å
35T73.5Confident69.4Low64 Ų6464.3 Ų64.339%0.39335%0.352SS..EExtended strand (participates in β ladder)trans-109.4114.6173-52.20000108.6R20 H22R20-T35 HydrophobicContact CB-CG2 3.84Å; R20-T35 HydrophobicContact CG-CG2 4.47Å; H22-T35 PolarHBondContact CE1-OG1 3.39Å; H22-T35 PolarHBondContact ND1-OG1 2.99Å
36V73.2Confident69.8Low21 Ų2165.4 Ų65.413%0.12736%0.356CS..EExtended strand (participates in β ladder)trans-115.9152.7-173.8-170.90000108.6R20 T21 V23 F34 C40 L45R20-V36 CarbonylContact C-O 3.52Å; R20-V36 WeakPolarHBondContact CA-O 3.29Å; T21-V36 PolarHBondContact N-O 3.46Å; T21-V36 PolarHBondContact O-N 2.97Å; V23-V36 HydrophobicContact CB-CG2 4.38Å; V23-V36 HydrophobicContact CG2-CB 4.41Å; V23-V36 HydrophobicContact CG2-CG2 4.09Å; F34-V36 HydrophobicContact CB-CG2 4.34Å; V36-C40 HydrophobicContact CG1-CB 3.64Å; V36-L45 HydrophobicContact CG1-CD1 4.31Å; V36-L45 HydrophobicContact CG2-CD1 3.68Å
37R73.9Confident70.6Confident170 Ų17064 Ų6464%0.64235%0.351SS*.EExtended strand (participates in β ladder)trans-74.6142.5174-69-178.6156.4133.5-5.1109.7N39 C40R37-N39 VanDerWaalsContact CB-OD1 3.23Å; R37-N39 WeakPolarHBondContact CB-OD1 3.35Å; R37-N39 PolarHBondContact O-N 2.81Å; R37-C40 WeakPolarHBondContact O-CB 3.47Å; R37-C40 PolarHBondContact O-N 3.44Å
38G64.8Low71.4Confident0 Ų066.7 Ų66.70%037%0.369CS..THydrogen-bonded Turntrans-62.8-22.7-17800000114D19 C40 S76D19-G38 PolarHBondContact O-N 2.95Å; D19-G38 WeakPolarHBondContact OD2-CA 3.49Å; G38-C40 VanDerWaalsContact C-N 3.33Å; G38-C40 PolarHBondContact O-N 3.47Å; G38-S76 WeakPolarHBondContact O-CB 3.25Å; G38-S76 PolarHBondContact O-N 3.01Å
39N68.9Low72.5Confident112 Ų11261.4 Ų61.460%0.59933%0.325SS*.THydrogen-bonded Turntrans-85.85.7175.872.5-26.9000115R37R37-N39 VanDerWaalsContact CB-OD1 3.23Å; R37-N39 WeakPolarHBondContact CB-OD1 3.35Å; R37-N39 PolarHBondContact O-N 2.81Å
40C74.9Confident73.9Confident26 Ų2658.3 Ų58.318%0.17630%0.304CS..  trans-75.9139.5175.9-70.30000111.1V36 R37 G38 M75V36-C40 HydrophobicContact CG1-CB 3.64Å; R37-C40 WeakPolarHBondContact O-CB 3.47Å; R37-C40 PolarHBondContact O-N 3.44Å; G38-C40 VanDerWaalsContact C-N 3.33Å; G38-C40 PolarHBondContact O-N 3.47Å; C40-M75 WeakPolarHBondContact O-CG 3.31Å; C40-M75 PolarHBondContact O-N 3.05Å; C40-M75 VanDerWaalsContact O-N 3.08Å
41T80.8Confident75Confident39 Ų3960.9 Ų60.924%0.23932%0.316CS..BIsolated β-bridgetrans-81.5159.8169.760.80000111.2T43 Q44 L45 E73 L74T41-T43 PolarHBondContact O-N 3.47Å; T41-Q44 PolarHBondContact O-N 3.46Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; T41-Q44 PolarHBondContact OG1-N 2.74Å; T41-L45 PolarHBondContact O-N 2.97Å; T41-E73 WeakPolarHBondContact CA-O 3.13Å; T41-L74 HydrophobicContact CG2-CD2 3.75Å
42V79.1Confident75.5Confident0 Ų066.2 Ų66.20%032%0.318CS..Hα-helixtrans-56.5-36.8173.71750000111.4Q44 L45 K46 L62 L69 R70 E73 M75V42-Q44 PolarHBondContact O-N 3.19Å; V42-L45 PolarHBondContact O-N 3.35Å; V42-K46 HydrophobicContact CG1-CG 4.42Å; V42-K46 WeakPolarHBondContact O-CG 3.21Å; V42-K46 PolarHBondContact O-N 2.82Å; V42-L62 HydrophobicContact CG1-CD1 3.94Å; V42-L69 HydrophobicContact CG1-CB 3.96Å; V42-L69 HydrophobicContact CG2-CB 3.87Å; V42-L69 HydrophobicContact CG2-CD1 4.12Å; V42-R70 VanDerWaalsContact CB-O 3.26Å; V42-R70 WeakPolarHBondContact CB-O 3.36Å; V42-R70 WeakPolarHBondContact CG2-O 3.28Å; V42-E73 HydrophobicContact CG2-CB 4.07Å; V42-E73 WeakPolarHBondContact CG2-O 3.09Å; V42-E73 PolarHBondContact N-O 3.3Å; V42-M75 HydrophobicContact CG2-CE 3.43Å; V42-M75 VanDerWaalsContact CG2-CE 3.43Å
43T79.8Confident75.6Confident44 Ų4462.8 Ų62.827%0.2731%0.307SS..Hα-helixtrans-62.3-42.4174.8-47.10000112.6T41 L45 K46 R47 E71T41-T43 PolarHBondContact O-N 3.47Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-K46 PolarHBondContact O-N 2.88Å; T43-R47 PolarHBondContact O-N 3.41Å; T43-E71 PolarHBondContact N-O 3.31Å; T43-E71 WeakPolarHBondContact OG1-CB 3.19Å; T43-E71 PolarHBondContact OG1-O 2.88Å
44Q81.8Confident75.7Confident97 Ų9769.8 Ų69.845%0.45332%0.323SS..Hα-helixtrans-69.1-36.3177.6-116.4151.712.900111.5T41 V42 R47 C48T41-Q44 PolarHBondContact O-N 3.46Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; T41-Q44 PolarHBondContact OG1-N 2.74Å; V42-Q44 PolarHBondContact O-N 3.19Å; Q44-R47 PolarHBondContact O-N 2.74Å; Q44-C48 PolarHBondContact O-N 3.16Å; Q44-C48 PolarHBondContact O-SG 2.87Å
45L78.4Confident75.8Confident2 Ų268.7 Ų68.71%0.0132%0.319CS..Hα-helixtrans-64.1-46.7172.3-177.958.7000111.8V36 T41 V42 T43 R47 C48 L49 L62 M75 L87V36-L45 HydrophobicContact CG1-CD1 4.31Å; V36-L45 HydrophobicContact CG2-CD1 3.68Å; T41-L45 PolarHBondContact O-N 2.97Å; V42-L45 PolarHBondContact O-N 3.35Å; T43-L45 VanDerWaalsContact C-N 3.34Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 2.92Å; L45-C48 PolarHBondContact O-N 3.39Å; L45-L49 HydrophobicContact CD1-CD1 4.24Å; L45-L49 HydrophobicContact CD1-CG 4.19Å; L45-L49 HydrophobicContact CG-CD1 4.04Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.9Å; L45-L62 HydrophobicContact CD2-CD1 4.04Å; L45-L62 HydrophobicContact CG-CD1 4.16Å; L45-M75 HydrophobicContact CD2-CE 4.28Å; L45-M75 HydrophobicContact CD2-SD 3.69Å; L45-L87 HydrophobicContact CD2-CD1 3.92Å
46K78.6Confident76Confident24 Ų2468.7 Ų68.710%0.10432%0.321CS..Hα-helixtrans-57.6-41174.9-74.9-174.6-178.7-169.80111.8V42 T43 L49 S50 A57 L60 L62 E71V42-K46 HydrophobicContact CG1-CG 4.42Å; V42-K46 WeakPolarHBondContact O-CG 3.21Å; V42-K46 PolarHBondContact O-N 2.82Å; T43-K46 PolarHBondContact O-N 2.88Å; K46-L49 PolarHBondContact O-N 3.47Å; K46-S50 WeakPolarHBondContact O-CB 3.47Å; K46-S50 PolarHBondContact O-N 2.87Å; K46-A57 HydrophobicContact CB-CB 4.31Å; K46-L60 WeakPolarHBondContact CE-O 3.36Å; K46-L60 PolarHBondContact NZ-O 3.35Å; K46-L60 VanDerWaalsContact NZ-O 3.15Å; K46-L62 HydrophobicContact CG-CD1 3.56Å; K46-L62 HydrophobicContact CG-CG 4.25Å; K46-E71 IonicContact NZ-OE1 2.74Å
47R80.7Confident75.9Confident143 Ų14369.4 Ų69.454%0.5433%0.328SS..Hα-helixtrans-63.5-48.3175.1-168.8-179.2-62.7127.92.3111.6T43 Q44 L45 L49 S50 E51T43-R47 PolarHBondContact O-N 3.41Å; Q44-R47 PolarHBondContact O-N 2.74Å; L45-R47 VanDerWaalsContact C-N 3.28Å; L45-R47 PolarHBondContact O-N 2.92Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 2.78Å; R47-S50 WeakPolarHBondContact CA-OG 3.37Å; R47-S50 PolarHBondContact O-N 2.83Å; R47-S50 PolarHBondContact O-OG 3.29Å; R47-E51 PolarHBondContact O-N 3.44Å
48C77.6Confident75.9Confident74 Ų7469.2 Ų69.250%0.534%0.335SS..Hα-helixtrans-60.3-38.2175-740000112.3Q44 L45 R52Q44-C48 PolarHBondContact O-N 3.16Å; Q44-C48 PolarHBondContact O-SG 2.87Å; L45-C48 PolarHBondContact O-N 3.39Å; C48-R52 WeakPolarHBondContact O-CG 3.48Å; C48-R52 PolarHBondContact O-N 3.1Å
49L76.3Confident76.2Confident2 Ų271 Ų711%0.0134%0.343CS..Hα-helixtrans-71.3-34.5177-69.7178.1000112.3L25 F34 L45 K46 R47 E51 R52 L53 L60 L62L25-L49 HydrophobicContact CD1-CD1 3.85Å; L25-L49 HydrophobicContact CD2-CD1 4.39Å; L25-L49 HydrophobicContact CD2-CD2 4.04Å; F34-L49 HydrophobicContact CD2-CD2 3.7Å; F34-L49 HydrophobicContact CE1-CD2 4.47Å; F34-L49 HydrophobicContact CE2-CD2 3.46Å; F34-L49 VanDerWaalsContact CE2-CD2 3.46Å; F34-L49 HydrophobicContact CG-CD2 4.3Å; F34-L49 HydrophobicContact CZ-CD2 3.88Å; L45-L49 HydrophobicContact CD1-CD1 4.24Å; L45-L49 HydrophobicContact CD1-CG 4.19Å; L45-L49 HydrophobicContact CG-CD1 4.04Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.9Å; K46-L49 PolarHBondContact O-N 3.47Å; R47-L49 VanDerWaalsContact C-N 3.28Å; R47-L49 PolarHBondContact O-N 2.78Å; L49-E51 VanDerWaalsContact C-N 3.32Å; L49-E51 PolarHBondContact O-N 3.04Å; L49-R52 PolarHBondContact O-N 2.88Å; L49-L53 HydrophobicContact CB-CD1 4.11Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 WeakPolarHBondContact O-CB 3.19Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.11Å; L49-L53 PolarHBondContact O-N 3.43Å; L49-L60 HydrophobicContact CB-CD1 4.23Å; L49-L62 HydrophobicContact CD1-CD1 4.33Å; L49-L62 HydrophobicContact CD1-CD2 3.64Å
50S79.9Confident76.3Confident27 Ų2765.8 Ų65.819%0.18932%0.315CS..Hα-helixtrans-60.6-41.7177.567.90000112.5K46 R47 R54 V55K46-S50 WeakPolarHBondContact O-CB 3.47Å; K46-S50 PolarHBondContact O-N 2.87Å; R47-S50 WeakPolarHBondContact CA-OG 3.37Å; R47-S50 PolarHBondContact O-N 2.83Å; R47-S50 PolarHBondContact O-OG 3.29Å; S50-R54 VanDerWaalsContact O-CA 3.28Å; S50-R54 WeakPolarHBondContact O-CA 3.45Å; S50-R54 PolarHBondContact O-N 2.75Å; S50-V55 WeakPolarHBondContact CA-O 3.19Å; S50-V55 WeakPolarHBondContact CB-O 3.45Å; S50-V55 PolarHBondContact O-N 2.84Å
51E79.1Confident76.4Confident156 Ų15665 Ų6573%0.72931%0.31SS*.Hα-helixtrans-69.6-37177.1-167.2-179.9174.100112.2R47 L49R47-E51 PolarHBondContact O-N 3.44Å; L49-E51 VanDerWaalsContact C-N 3.32Å; L49-E51 PolarHBondContact O-N 3.04Å
52R70.8Confident76.2Confident168 Ų16863.2 Ų63.263%0.63430%0.299SS*.Hα-helixtrans-84.2-26.6-175.9-59.3-68-86.8-166-3.3113.6R32 F34 C48 L49R32-R52 PolarHBondContact NH1-O 2.78Å; F34-R52 HydrophobicContact CE1-CB 4Å; F34-R52 HydrophobicContact CE1-CG 4.23Å; F34-R52 HydrophobicContact CZ-CB 4.34Å; C48-R52 WeakPolarHBondContact O-CG 3.48Å; C48-R52 PolarHBondContact O-N 3.1Å; L49-R52 PolarHBondContact O-N 2.88Å
53L71.8Confident76Confident25 Ų2564.8 Ų64.813%0.13131%0.307CS..Hα-helixtrans-102.5-8.1179.9-60171.6000112.9L25 L49 V55L25-L53 HydrophobicContact CD2-CD1 3.55Å; L25-L53 HydrophobicContact CD2-CD2 4.34Å; L25-L53 HydrophobicContact CD2-CG 4.47Å; L49-L53 HydrophobicContact CB-CD1 4.11Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 WeakPolarHBondContact O-CB 3.19Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.11Å; L49-L53 PolarHBondContact O-N 3.43Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 HydrophobicContact CB-CG2 4.29Å; L53-V55 PolarHBondContact O-N 3.46Å
54R72.6Confident75.7Confident237 Ų23763.8 Ų63.889%0.89430%0.3SS*.THydrogen-bonded Turntrans54.244-173.9-64.4-172.6174.9150.8-2.2113.2S50S50-R54 VanDerWaalsContact O-CA 3.28Å; S50-R54 WeakPolarHBondContact O-CA 3.45Å; S50-R54 PolarHBondContact O-N 2.75Å
55V76.1Confident74.9Confident11 Ų1164.7 Ų64.77%0.06732%0.317CS..SBendtrans-130.4133.9178.5-179.60000107.5S50 L53 Q59 L60 R91S50-V55 WeakPolarHBondContact CA-O 3.19Å; S50-V55 WeakPolarHBondContact CB-O 3.45Å; S50-V55 PolarHBondContact O-N 2.84Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 HydrophobicContact CB-CG2 4.29Å; L53-V55 PolarHBondContact O-N 3.46Å; V55-Q59 HydrophobicContact CG1-CB 4.09Å; V55-L60 HydrophobicContact CB-CD2 4.01Å; V55-L60 HydrophobicContact CB-CG 4.35Å; V55-L60 HydrophobicContact CG1-CD2 3.72Å; V55-L60 HydrophobicContact CG1-CG 4.01Å; V55-R91 HydrophobicContact CG1-CG 4.28Å; V55-R91 VanDerWaalsContact CG2-NE 3.29Å
56P77.1Confident74Confident65 Ų6568 Ų6842%0.42235%0.352SS..  trans-61.5142.6-179.126.4-35000111.6E58 Q59P56-E58 PolarHBondContact O-N 2.83Å; P56-Q59 HydrophobicContact CG-CB 4.14Å; P56-Q59 HydrophobicContact CG-CG 3.75Å; P56-Q59 PolarHBondContact O-N 2.7Å
57A71.8Confident73.8Confident35 Ų3576.3 Ų76.329%0.28938%0.382SS..G310 helixtrans-58.8-24-175.500000113.7K46 L60K46-A57 HydrophobicContact CB-CB 4.31Å; A57-L60 PolarHBondContact O-N 2.85Å
58E71.9Confident73.6Confident166 Ų16673.4 Ų73.478%0.77638%0.38SS*.G310 helixtrans-73.3-28.6179.7-60-177.7-178.100112.9P56 L60P56-E58 PolarHBondContact O-N 2.83Å; E58-L60 VanDerWaalsContact C-N 3.33Å
59Q72Confident73.4Confident38 Ų3870.1 Ų70.118%0.17836%0.358CS..G310 helixtrans-86.1-8.3177.1-66.71755.100112.3V55 P56 I90 R91 R92 E94V55-Q59 HydrophobicContact CG1-CB 4.09Å; P56-Q59 HydrophobicContact CG-CB 4.14Å; P56-Q59 HydrophobicContact CG-CG 3.75Å; P56-Q59 PolarHBondContact O-N 2.7Å; Q59-I90 VanDerWaalsContact O-O 3.11Å; Q59-R91 WeakPolarHBondContact O-CA 3.17Å; Q59-R92 WeakPolarHBondContact CG-O 3.38Å; Q59-R92 PolarHBondContact O-N 2.62Å; Q59-E94 PolarHBondContact NE2-OE2 3.45Å
60L71.9Confident73.4Confident2 Ų278.4 Ų78.41%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-93.5112.6-176.5-65175.6000111.4K46 L49 V55 A57 E58 V89K46-L60 WeakPolarHBondContact CE-O 3.36Å; K46-L60 PolarHBondContact NZ-O 3.35Å; K46-L60 VanDerWaalsContact NZ-O 3.15Å; L49-L60 HydrophobicContact CB-CD1 4.23Å; V55-L60 HydrophobicContact CB-CD2 4.01Å; V55-L60 HydrophobicContact CB-CG 4.35Å; V55-L60 HydrophobicContact CG1-CD2 3.72Å; V55-L60 HydrophobicContact CG1-CG 4.01Å; A57-L60 PolarHBondContact O-N 2.85Å; E58-L60 VanDerWaalsContact C-N 3.33Å; L60-V89 HydrophobicContact CD2-CG1 3.48Å; L60-V89 VanDerWaalsContact CD2-CG1 3.48Å
61V76.1Confident73.1Confident10 Ų1082.5 Ų82.56%0.06141%0.405CS..EExtended strand (participates in β ladder)trans-102.1123.7168.5-170.60000108.8L63 V68 V89 I90 R92V61-L63 HydrophobicContact CB-CD1 4.36Å; V61-L63 HydrophobicContact CG1-CD1 3.95Å; V61-L63 HydrophobicContact CG1-CG 4.43Å; V61-V68 HydrophobicContact CG1-CG1 3.76Å; V61-V68 HydrophobicContact CG1-CG2 4.42Å; V61-V89 WeakPolarHBondContact O-CA 3.35Å; V61-I90 PolarHBondContact N-O 2.89Å; V61-I90 VanDerWaalsContact N-O 3.16Å; V61-I90 PolarHBondContact O-N 3.34Å; V61-R92 HydrophobicContact CG2-CG 4.05Å; V61-R92 VanDerWaalsContact CG2-NE 3.33Å
62L76.7Confident72.7Confident1 Ų179.4 Ų79.41%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-99.1120.5177.3-72.3168.4000109L25 V42 L45 K46 L49 L69 L87 V89L25-L62 HydrophobicContact CD1-CD2 4Å; V42-L62 HydrophobicContact CG1-CD1 3.94Å; L45-L62 HydrophobicContact CD2-CD1 4.04Å; L45-L62 HydrophobicContact CG-CD1 4.16Å; K46-L62 HydrophobicContact CG-CD1 3.56Å; K46-L62 HydrophobicContact CG-CG 4.25Å; L49-L62 HydrophobicContact CD1-CD1 4.33Å; L49-L62 HydrophobicContact CD1-CD2 3.64Å; L62-L69 HydrophobicContact CB-CB 4.38Å; L62-L69 HydrophobicContact CB-CD1 4.3Å; L62-L69 PolarHBondContact O-N 3.08Å; L62-L87 HydrophobicContact CB-CD2 4.01Å; L62-L87 HydrophobicContact CD2-CB 4.33Å; L62-L87 HydrophobicContact CD2-CD2 4.14Å; L62-V89 HydrophobicContact CD2-CG2 3.44Å; L62-V89 VanDerWaalsContact CD2-CG2 3.44Å
63L75.9Confident72.8Confident34 Ų3473.6 Ų73.618%0.17839%0.386CS..EExtended strand (participates in β ladder)trans-112.4129.1175.5-59.492.2000110V61 R67 V68 L87 C88 I90V61-L63 HydrophobicContact CB-CD1 4.36Å; V61-L63 HydrophobicContact CG1-CD1 3.95Å; V61-L63 HydrophobicContact CG1-CG 4.43Å; L63-R67 CarbonylContact C-O 3.59Å; L63-R67 VanDerWaalsContact CA-O 3.27Å; L63-R67 WeakPolarHBondContact CA-O 3.16Å; L63-V68 HydrophobicContact CD2-CG2 4.06Å; L63-V68 HydrophobicContact CG-CG2 4.21Å; L63-L87 CarbonylContact O-C 3.46Å; L63-L87 WeakPolarHBondContact O-CA 3.45Å; L63-C88 HydrophobicContact CB-CB 4.23Å; L63-C88 PolarHBondContact N-O 2.7Å; L63-C88 PolarHBondContact O-N 3.3Å; L63-I90 HydrophobicContact CD1-CB 4.43Å; L63-I90 HydrophobicContact CD1-CD1 3.51Å; L63-I90 HydrophobicContact CD1-CG1 3.72Å; L63-I90 HydrophobicContact CD2-CD1 4.31Å
64L72.9Confident72.9Confident22 Ų2275 Ų7512%0.11539%0.394CS..EExtended strand (participates in β ladder)trans-113.1113.5172.9177.457.8000109.3G66 R67 L69 L78 I85 S86 L87L64-G66 PolarHBondContact O-N 2.75Å; L64-G66 VanDerWaalsContact O-N 3.12Å; L64-R67 PolarHBondContact N-O 2.73Å; L64-R67 WeakPolarHBondContact O-CB 3.49Å; L64-R67 PolarHBondContact O-N 3.46Å; L64-L69 HydrophobicContact CB-CD1 4.1Å; L64-L69 HydrophobicContact CB-CD2 3.99Å; L64-L69 HydrophobicContact CB-CG 4.1Å; L64-L69 HydrophobicContact CD2-CD2 4.49Å; L64-L78 HydrophobicContact CD2-CB 3.64Å; L64-L78 HydrophobicContact CD2-CD1 4.41Å; L64-L78 HydrophobicContact CD2-CD2 4.05Å; L64-L78 HydrophobicContact CD2-CG 4.23Å; L64-I85 HydrophobicContact CD1-CG2 3.33Å; L64-I85 HydrophobicContact CD2-CG2 3.97Å; L64-I85 HydrophobicContact CG-CG2 4.23Å; L64-S86 VanDerWaalsContact CD1-O 3.27Å; L64-S86 WeakPolarHBondContact CD1-O 3.28Å; L64-L87 HydrophobicContact CB-CD2 4.32Å
65S64.9Low72.6Confident116 Ų11663.8 Ų63.881%0.81135%0.351SS*.THydrogen-bonded Turntrans46.943.8177.8-55.80000113.5
66G60.2Low72Confident72 Ų7265.3 Ų65.374%0.74236%0.363SS*.THydrogen-bonded Turntrans86.1-1.6-179.400000115.7L64L64-G66 PolarHBondContact O-N 2.75Å; L64-G66 VanDerWaalsContact O-N 3.12Å
67R72.9Confident71.3Confident198 Ų19869 Ų6975%0.74737%0.374SS*.EExtended strand (participates in β ladder)trans-101.8127.6175.1-62.8-173.5179.5-158.6-0.2111.5L63 L64 L69L63-R67 CarbonylContact C-O 3.59Å; L63-R67 VanDerWaalsContact CA-O 3.27Å; L63-R67 WeakPolarHBondContact CA-O 3.16Å; L64-R67 PolarHBondContact N-O 2.73Å; L64-R67 WeakPolarHBondContact O-CB 3.49Å; L64-R67 PolarHBondContact O-N 3.46Å; R67-L69 PolarHBondContact O-N 3.4Å
68V77.3Confident70.8Confident82 Ų8269.3 Ų69.350%0.49737%0.37SS..EExtended strand (participates in β ladder)trans-72.2120.6170.8179.70000108.8V61 L63V61-V68 HydrophobicContact CG1-CG1 3.76Å; V61-V68 HydrophobicContact CG1-CG2 4.42Å; L63-V68 HydrophobicContact CD2-CG2 4.06Å; L63-V68 HydrophobicContact CG-CG2 4.21Å
69L73.9Confident70.2Confident5 Ų563.4 Ų63.43%0.02635%0.346CS..PPolyproline II helixtrans-77.5131-179.1-66.1-177000111.3V42 L62 L64 R67 E73 M75 L78 L87V42-L69 HydrophobicContact CG1-CB 3.96Å; V42-L69 HydrophobicContact CG2-CB 3.87Å; V42-L69 HydrophobicContact CG2-CD1 4.12Å; L62-L69 HydrophobicContact CB-CB 4.38Å; L62-L69 HydrophobicContact CB-CD1 4.3Å; L62-L69 PolarHBondContact O-N 3.08Å; L64-L69 HydrophobicContact CB-CD1 4.1Å; L64-L69 HydrophobicContact CB-CD2 3.99Å; L64-L69 HydrophobicContact CB-CG 4.1Å; L64-L69 HydrophobicContact CD2-CD2 4.49Å; R67-L69 PolarHBondContact O-N 3.4Å; L69-E73 WeakPolarHBondContact CD2-OE2 3.11Å; L69-M75 HydrophobicContact CD1-CE 4.27Å; L69-L78 HydrophobicContact CD1-CD1 3.86Å; L69-L78 HydrophobicContact CD2-CD1 3.44Å; L69-L78 VanDerWaalsContact CD2-CD1 3.44Å; L69-L78 HydrophobicContact CD2-CD2 3.76Å; L69-L78 HydrophobicContact CD2-CG 4.24Å; L69-L78 HydrophobicContact CG-CD1 4.29Å; L69-L87 HydrophobicContact CD1-CD2 3.4Å
70R76.1Confident69.4Low176 Ų17670 Ų7066%0.66438%0.377SS*.PPolyproline II helixtrans-82.9149.4175.2-70177.6-68.5-137.4-1.9110.7V42 A72 E73V42-R70 VanDerWaalsContact CB-O 3.26Å; V42-R70 WeakPolarHBondContact CB-O 3.36Å; V42-R70 WeakPolarHBondContact CG2-O 3.28Å; R70-A72 PolarHBondContact O-N 3.15Å; R70-A72 VanDerWaalsContact O-N 3.14Å; R70-E73 HydrophobicContact CB-CG 4.26Å; R70-E73 IonicContact CZ-OE1 3.04Å; R70-E73 VanDerWaalsContact CZ-OE1 3.28Å; R70-E73 IonicContact NE-OE1 3.18Å; R70-E73 PolarHBondContact NE-OE1 3.42Å; R70-E73 IonicContact NH2-OE1 2.89Å; R70-E73 PolarHBondContact NH2-OE1 3.18Å; R70-E73 PolarHBondContact O-N 3.27Å
71E74.2Confident68.4Low114 Ų11477.9 Ų77.953%0.53341%0.413SS..THydrogen-bonded Turntrans-56.4-32.6-176.7-78.3-173.8-167.300114.4T43 K46T43-E71 PolarHBondContact N-O 3.31Å; T43-E71 WeakPolarHBondContact OG1-CB 3.19Å; T43-E71 PolarHBondContact OG1-O 2.88Å; K46-E71 IonicContact NZ-OE1 2.74Å
72A70.4Confident67Low91 Ų9186.4 Ų86.475%0.75245%0.45SS*.THydrogen-bonded Turntrans-84.3-3-179.700000114.8R70R70-A72 PolarHBondContact O-N 3.15Å; R70-A72 VanDerWaalsContact O-N 3.14Å
73E72.3Confident66.1Low45 Ų4588.2 Ų88.221%0.2147%0.469CS..  trans-79.6142.5-179.3-73.6174.1-17700111.8T41 V42 L69 R70 L78T41-E73 WeakPolarHBondContact CA-O 3.13Å; V42-E73 HydrophobicContact CG2-CB 4.07Å; V42-E73 WeakPolarHBondContact CG2-O 3.09Å; V42-E73 PolarHBondContact N-O 3.3Å; L69-E73 WeakPolarHBondContact CD2-OE2 3.11Å; R70-E73 HydrophobicContact CB-CG 4.26Å; R70-E73 IonicContact CZ-OE1 3.04Å; R70-E73 VanDerWaalsContact CZ-OE1 3.28Å; R70-E73 IonicContact NE-OE1 3.18Å; R70-E73 PolarHBondContact NE-OE1 3.42Å; R70-E73 IonicContact NH2-OE1 2.89Å; R70-E73 PolarHBondContact NH2-OE1 3.18Å; R70-E73 PolarHBondContact O-N 3.27Å; E73-L78 HydrophobicContact CB-CD1 4.44Å
74L73.2Confident65.1Low56 Ų5689.9 Ų89.929%0.29348%0.484SS..BIsolated β-bridgetrans-94.5141.6179.4-69.7168.6000110.4T41 S76 H77T41-L74 HydrophobicContact CG2-CD2 3.75Å; L74-S76 PolarHBondContact O-N 2.97Å; L74-H77 PolarHBondContact O-N 2.94Å; L74-H77 VanDerWaalsContact O-N 3.16Å
75M66.7Low64.7Low0 Ų089.2 Ų89.20%048%0.48CS..G310 helixtrans-60.3-33176.9-69.1-62.496.400112.7C40 V42 L45 L69 H77 L78 T79 I85C40-M75 WeakPolarHBondContact O-CG 3.31Å; C40-M75 PolarHBondContact O-N 3.05Å; C40-M75 VanDerWaalsContact O-N 3.08Å; V42-M75 HydrophobicContact CG2-CE 3.43Å; V42-M75 VanDerWaalsContact CG2-CE 3.43Å; L45-M75 HydrophobicContact CD2-CE 4.28Å; L45-M75 HydrophobicContact CD2-SD 3.69Å; L69-M75 HydrophobicContact CD1-CE 4.27Å; M75-H77 VanDerWaalsContact C-N 3.26Å; M75-H77 PolarHBondContact O-N 3.45Å; M75-L78 HydrophobicContact CE-CD1 3.48Å; M75-L78 VanDerWaalsContact CE-CD1 3.48Å; M75-L78 PolarHBondContact O-N 3.37Å; M75-L78 VanDerWaalsContact O-N 3.09Å; M75-T79 PolarHBondContact O-N 3.45Å; M75-I85 HydrophobicContact SD-CD1 4.2Å
76S64.5Low64.4Low44 Ų4486.1 Ų86.131%0.30846%0.458SS..G310 helixtrans-60.5-29.4176.557.70000114.2G38 L74 L78 T79G38-S76 WeakPolarHBondContact O-CB 3.25Å; G38-S76 PolarHBondContact O-N 3.01Å; L74-S76 PolarHBondContact O-N 2.97Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-T79 PolarHBondContact O-OG1 3.33Å
77H61Low64.7Low143 Ų14382.7 Ų82.766%0.66242%0.423SS*.G310 helixtrans-83.6-12.1178-66.8171.1000113L74 M75L74-H77 PolarHBondContact O-N 2.94Å; L74-H77 VanDerWaalsContact O-N 3.16Å; M75-H77 VanDerWaalsContact C-N 3.26Å; M75-H77 PolarHBondContact O-N 3.45Å
78L61.1Low64Low40 Ų4075.8 Ų75.821%0.20941%0.405CS..THydrogen-bonded Turntrans-106.6-11.3-174.8-62.6169.7000112.3L64 L69 E73 M75 S76 E80 I85L64-L78 HydrophobicContact CD2-CB 3.64Å; L64-L78 HydrophobicContact CD2-CD1 4.41Å; L64-L78 HydrophobicContact CD2-CD2 4.05Å; L64-L78 HydrophobicContact CD2-CG 4.23Å; L69-L78 HydrophobicContact CD1-CD1 3.86Å; L69-L78 HydrophobicContact CD2-CD1 3.44Å; L69-L78 VanDerWaalsContact CD2-CD1 3.44Å; L69-L78 HydrophobicContact CD2-CD2 3.76Å; L69-L78 HydrophobicContact CD2-CG 4.24Å; L69-L78 HydrophobicContact CG-CD1 4.29Å; E73-L78 HydrophobicContact CB-CD1 4.44Å; M75-L78 HydrophobicContact CE-CD1 3.48Å; M75-L78 VanDerWaalsContact CE-CD1 3.48Å; M75-L78 PolarHBondContact O-N 3.37Å; M75-L78 VanDerWaalsContact O-N 3.09Å; S76-L78 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 2.87Å; L78-I85 HydrophobicContact CB-CD1 4.41Å
79T59.8Low63.6Low43 Ų4372.3 Ų72.326%0.26438%0.383SS..  trans-76.566.1169.942.60000111.3T21 M75 S76 I85T21-T79 HydrophobicContact CG2-CG2 3.27Å; M75-T79 PolarHBondContact O-N 3.45Å; S76-T79 PolarHBondContact O-OG1 3.33Å; T79-I85 HydrophobicContact CG2-CD1 3.69Å; T79-I85 HydrophobicContact CG2-CG1 3.96Å
80E56Low63.4Low176 Ų17675.3 Ų75.382%0.82240%0.399SS*.  trans-78.4-27.8-176.2-113.9174.9-176.400113.5L78L78-E80 PolarHBondContact O-N 2.87Å
81Q50.6Low63.1Low167 Ų16772.9 Ų72.978%0.7839%0.39SS*.SBendtrans-155.6140.2169.2-72.6-162.525.800111.5
82K47.3Very low62.6Low189 Ų18974.2 Ų74.282%0.82239%0.39SS*.SBendtrans78.819.3167-65.8-173173-177.60120.4S84K82-S84 PolarHBondContact O-N 3.13Å
83G56.6Low61.4Low40 Ų4075.6 Ų75.641%0.41239%0.391SS..SBendtrans58.38.5165.400000116.1H22H22-G83 PolarHBondContact N-O 3.49Å
84S55.3Low60Low69 Ų6979.5 Ų79.548%0.48341%0.409SS..EExtended strand (participates in β ladder)trans-136112-177-65.20000108H22 K82H22-S84 CarbonylContact O-C 3.58Å; H22-S84 WeakPolarHBondContact O-CA 3.36Å; K82-S84 PolarHBondContact O-N 3.13Å
85I63.5Low58.5Low7 Ų781.9 Ų81.94%0.03643%0.428CS..EExtended strand (participates in β ladder)trans-98.9120.7179.3-59.5179.6000108.1T21 H22 V23 V24 L64 M75 L78 T79 L87T21-I85 HydrophobicContact CG2-CD1 3.77Å; T21-I85 HydrophobicContact CG2-CG1 3.87Å; H22-I85 PolarHBondContact O-N 3.37Å; V23-I85 CarbonylContact C-O 3.54Å; V23-I85 WeakPolarHBondContact CA-O 3.25Å; V23-I85 HydrophobicContact CG2-CB 4.33Å; V24-I85 PolarHBondContact N-O 3.2Å; L64-I85 HydrophobicContact CD1-CG2 3.33Å; L64-I85 HydrophobicContact CD2-CG2 3.97Å; L64-I85 HydrophobicContact CG-CG2 4.23Å; M75-I85 HydrophobicContact SD-CD1 4.2Å; L78-I85 HydrophobicContact CB-CD1 4.41Å; T79-I85 HydrophobicContact CG2-CD1 3.69Å; T79-I85 HydrophobicContact CG2-CG1 3.96Å; I85-L87 HydrophobicContact CB-CD1 4.41Å; I85-L87 HydrophobicContact CG2-CD1 3.71Å; I85-L87 HydrophobicContact CG2-CD2 4.48Å; I85-L87 HydrophobicContact CG2-CG 3.75Å
86S60.2Low56.9Low51 Ų5187.9 Ų87.936%0.35747%0.47SS..EExtended strand (participates in β ladder)trans-87.6111.2171.7-1760000109.8V24 L64V24-S86 CarbonylContact O-C 3.59Å; V24-S86 VanDerWaalsContact O-CA 3.29Å; V24-S86 WeakPolarHBondContact O-CA 3.44Å; L64-S86 VanDerWaalsContact CD1-O 3.27Å; L64-S86 WeakPolarHBondContact CD1-O 3.28Å
87L65.7Low55.6Low0 Ų090.9 Ų90.90%049%0.491CS..EExtended strand (participates in β ladder)trans-109.3121.1-177.9-80.9149000110.1V23 V24 L25 R26 L45 L62 L63 L64 L69 I85V23-L87 HydrophobicContact CB-CD1 4.3Å; V23-L87 HydrophobicContact CG1-CB 4.49Å; V23-L87 HydrophobicContact CG1-CD1 3.25Å; V23-L87 HydrophobicContact CG1-CG 4.38Å; V23-L87 HydrophobicContact CG2-CD1 4.2Å; V24-L87 PolarHBondContact O-N 3.49Å; L25-L87 CarbonylContact C-O 3.55Å; L25-L87 WeakPolarHBondContact CA-O 3.41Å; L25-L87 HydrophobicContact CD1-CB 3.75Å; R26-L87 PolarHBondContact N-O 2.8Å; L45-L87 HydrophobicContact CD2-CD1 3.92Å; L62-L87 HydrophobicContact CB-CD2 4.01Å; L62-L87 HydrophobicContact CD2-CB 4.33Å; L62-L87 HydrophobicContact CD2-CD2 4.14Å; L63-L87 CarbonylContact O-C 3.46Å; L63-L87 WeakPolarHBondContact O-CA 3.45Å; L64-L87 HydrophobicContact CB-CD2 4.32Å; L69-L87 HydrophobicContact CD1-CD2 3.4Å; I85-L87 HydrophobicContact CB-CD1 4.41Å; I85-L87 HydrophobicContact CG2-CD1 3.71Å; I85-L87 HydrophobicContact CG2-CD2 4.48Å; I85-L87 HydrophobicContact CG2-CG 3.75Å
88C59.3Low54.2Low54 Ų5488.2 Ų88.237%0.36549%0.494SS..EExtended strand (participates in β ladder)trans-85133.9170.4-65.20000109.6R26 L63R26-C88 WeakPolarHBondContact O-CA 3.27Å; L63-C88 HydrophobicContact CB-CB 4.23Å; L63-C88 PolarHBondContact N-O 2.7Å; L63-C88 PolarHBondContact O-N 3.3Å
89V68.9Low52.9Low8 Ų898.1 Ų98.15%0.04853%0.528CS..EExtended strand (participates in β ladder)trans-112.5118.9176.3167.20000110.1L25 R26 L60 V61 L62L25-V89 HydrophobicContact CD1-CB 4.39Å; L25-V89 HydrophobicContact CD1-CG2 3.29Å; L25-V89 HydrophobicContact CD2-CB 4.33Å; L25-V89 HydrophobicContact CD2-CG2 3.78Å; L25-V89 HydrophobicContact CG-CB 4.34Å; L25-V89 HydrophobicContact CG-CG2 3.69Å; R26-V89 PolarHBondContact O-N 3.34Å; L60-V89 HydrophobicContact CD2-CG1 3.48Å; L60-V89 VanDerWaalsContact CD2-CG1 3.48Å; V61-V89 WeakPolarHBondContact O-CA 3.35Å; L62-V89 HydrophobicContact CD2-CG2 3.44Å; L62-V89 VanDerWaalsContact CD2-CG2 3.44Å
90I69.3Low51.4Low68 Ų68102.6 Ų102.635%0.34956%0.556SS.*EExtended strand (participates in β ladder)trans-105128.7172.7-56.4176.9000107.4Q59 V61 L63Q59-I90 VanDerWaalsContact O-O 3.11Å; V61-I90 PolarHBondContact N-O 2.89Å; V61-I90 VanDerWaalsContact N-O 3.16Å; V61-I90 PolarHBondContact O-N 3.34Å; L63-I90 HydrophobicContact CD1-CB 4.43Å; L63-I90 HydrophobicContact CD1-CD1 3.51Å; L63-I90 HydrophobicContact CD1-CG1 3.72Å; L63-I90 HydrophobicContact CD2-CD1 4.31Å
91R68.5Low50.2Low126 Ų12699.4 Ų99.448%0.47555%0.553SS.*EExtended strand (participates in β ladder)trans-88.3116171.7-67.7-179.2178.2170.1-8.2108V55 Q59V55-R91 HydrophobicContact CG1-CG 4.28Å; V55-R91 VanDerWaalsContact CG2-NE 3.29Å; Q59-R91 WeakPolarHBondContact O-CA 3.17Å
92R63.6Low49.3Very low141 Ų14196.7 Ų96.753%0.53255%0.552SS.*PPolyproline II helixtrans-81.6137.6169.5-64.1-161.6-156.9116.2-5110.3Q59 V61Q59-R92 WeakPolarHBondContact CG-O 3.38Å; Q59-R92 PolarHBondContact O-N 2.62Å; V61-R92 HydrophobicContact CG2-CG 4.05Å; V61-R92 VanDerWaalsContact CG2-NE 3.33Å
93P45.9Very low48.6Very low121 Ų12195.2 Ų95.279%0.78655%0.553SS**PPolyproline II helixtrans-58.2138.3160.6-14.527.6000108.9
94E44.2Very low48.4Very low127 Ų12798.5 Ų98.559%0.59357%0.568SS**PPolyproline II helixtrans-64.8134.7-175.8-142.8-176.8143.400111.2Q59 S96Q59-E94 PolarHBondContact NE2-OE2 3.45Å; E94-S96 PolarHBondContact O-N 2.87Å
95P41.4Very low47.1Very low106 Ų106101.7 Ų101.769%0.68858%0.584SS**  trans-73.3113.9159.528.8-28.2000107.6S97P95-S97 VanDerWaalsContact C-N 3.35Å; P95-S97 PolarHBondContact O-N 2.84Å
96S31.9Very low45.5Very low125 Ų125106.9 Ų106.987%0.87462%0.621SS**  trans-56.696.4170.7-79.10000109.9E94 A98E94-S96 PolarHBondContact O-N 2.87Å; S96-A98 PolarHBondContact O-N 3.37Å
97S36.8Very low44Very low107 Ų107113.2 Ų113.275%0.74865%0.645SS**  trans-79.1112165.1-85.80000108.4P95 R99P95-S97 VanDerWaalsContact C-N 3.35Å; P95-S97 PolarHBondContact O-N 2.84Å; S97-R99 PolarHBondContact O-N 3.11Å
98A32.2Very low43.3Very low88 Ų88118.2 Ų118.273%0.72768%0.677SS**  trans-49.3126.2160.200000109.2S96 T100S96-A98 PolarHBondContact O-N 3.37Å; A98-T100 PolarHBondContact O-N 3.34Å
99R33.6Very low41.7Very low247 Ų247122.6 Ų122.693%0.93270%0.702SS**  trans-68.1119.4169.6-69.8179.2-121.6-161.5-1.7108.1S97S97-R99 PolarHBondContact O-N 3.11Å
100T28.5Very low39.8Very low137 Ų137125.7 Ų125.784%0.8474%0.735SS**  trans-120.2106.3161.654.40000110.1A98A98-T100 PolarHBondContact O-N 3.34Å
101S32Very low38Very low110 Ų110128.3 Ų128.377%0.76976%0.76SS**  trans-138.8124.4146.461.20000103.4
102S31.1Very low35.8Very low109 Ų109131.6 Ų131.676%0.76278%0.78SS**  cis-178135.239.641.50000109.8
103D31.6Very low34.3Very low158 Ų158132.7 Ų132.785%0.84580%0.796SS**  trans51.6168.9139.2-107.3-50.4000122.6
104P52.8Low33.3Very low110 Ų110136.7 Ų136.771%0.71480%0.801SS**  -117.5168.7-112.941.8-27.3000116.2
105V28.3Very low32.4Very low136 Ų136135.5 Ų135.582%0.82481%0.813SS**  trans155.7129.513576.10000114.8
106S29Very low31.9Very low115 Ų115137 Ų13780%0.80482%0.82SS**  trans26141.5153.1-48.90000126.9
107E29.4Very low32.2Very low184 Ų184136.5 Ų136.586%0.8681%0.814SS**  trans-43.3-169.3166.3-60.7-173.291.500119.8
108P50.6Low32Very low106 Ų106138.2 Ų138.269%0.68882%0.815SS**  cis-131.5-178.2-49.932.5-13.6000113.5
109V26.3Very low32Very low146 Ų146139.9 Ų139.989%0.88582%0.818SS**  trans129.1128.5151.4163.50000116.7
110G27.9Very low32.1Very low72 Ų72135.4 Ų135.474%0.74281%0.808SS**  trans114.8107.5132.200000119.1
111S31.5Very low32.5Very low123 Ų123134.6 Ų134.686%0.8681%0.805SS**  trans-64.4147.4170.4-58.60000115
112E23.5Very low32.4Very low195 Ų195136.2 Ų136.291%0.91181%0.805SS**  -175157.5119.2-147.9162.591.800112.2
113L31.3Very low32.4Very low164 Ų164140 Ų14086%0.85981%0.81SS**  trans-72.3141.7-164.8-68.5131.4000117.3
114K25Very low32.5Very low206 Ų206138.5 Ų138.590%0.89681%0.807SS**  172.4146.9117.5-117.1178.3173.8177.20114.2
115A24.8Very low32Very low102 Ų102138.8 Ų138.884%0.84381%0.809SS**  trans94.3132.715400000120.2
116V32.8Very low32.4Very low137 Ų137138.7 Ų138.783%0.8381%0.809SS**  trans-92.6170.6-177.4171.50000109.2
117P36.8Very low33.3Very low115 Ų115139.3 Ų139.375%0.74781%0.81SS**  cis-121.5179.6-41.835.4-17.2000112.9
118D32.5Very low33.8Very low143 Ų143136.7 Ų136.777%0.76581%0.807SS**  trans-40.5141.4170.6-149.2-98.1000117.8
119P32.4Very low33.5Very low123 Ų123136.3 Ų136.380%0.79981%0.806SS**  trans-118.8126.5148.132.9-22000113.2
120E35.5Very low34.6Very low153 Ų153134.8 Ų134.872%0.71580%0.8SS**  trans-40.4147.6166.7-102.5170.972.100116.8N122E120-N122 PolarHBondContact O-N 2.98Å
121P37.2Very low35.5Very low120 Ų120138.2 Ų138.278%0.77980%0.8SS**  trans-87.298.6162.632.9-28.9000112.6
122N29.7Very low36.4Very low144 Ų144138.2 Ų138.277%0.7780%0.799SS**  31.1100.1128.4-147.622.7000118.8E120E120-N122 PolarHBondContact O-N 2.98Å
123Q32.5Very low37.5Very low189 Ų189134 Ų13488%0.88379%0.791SS**  trans-90.6135.6160.3-61.5-174.67.600110.2
124T32.7Very low38.1Very low126 Ų126129.4 Ų129.477%0.77378%0.776SS**  trans-119.4153.4165.68.80000109.7
125P43.3Very low39.2Very low115 Ų115128.7 Ų128.775%0.74778%0.776SS**  trans-111.7156.9-138.840.1-34.6000115
126T35.4Very low40.6Very low135 Ų135126.3 Ų126.383%0.82876%0.762SS**  trans-146.4158.9156.733.40000110.2
127P47.8Very low41.3Very low128 Ų128125.9 Ų125.983%0.83175%0.754SS**  trans-87.2124.1-134.333.5-34.1000112.6
128T40Very low41.7Very low129 Ų129128.1 Ų128.179%0.79176%0.76SS**  trans-140.9141.3168.5-44.10000106.6
129S44.5Very low42.5Very low97 Ų97125.5 Ų125.568%0.67875%0.753SS**  trans-40137.7-173.1-51.10000114.1L131S129-L131 PolarHBondContact O-N 3.35Å
130P49.1Very low43.1Very low115 Ų115126.3 Ų126.375%0.74775%0.75SS**THydrogen-bonded Turntrans-8122.4-161.734.5-37.8000115
131L48Very low43.7Very low144 Ų144123 Ų12375%0.75476%0.757SS**THydrogen-bonded Turntrans-95.3-8.9176.4-124.7158000113S129S129-L131 PolarHBondContact O-N 3.35Å
132C50.4Low44.3Very low122 Ų122121.1 Ų121.182%0.82475%0.747SS**SBendtrans-110.71.6-177.1-77.70000114.8
133S46Very low45.2Very low107 Ų107122.2 Ų122.275%0.74875%0.747SS**  trans-108.863.5171.4-59.70000110.1
134A43.5Very low46.1Very low67 Ų67119.4 Ų119.455%0.55474%0.738SS**  trans-123.286.2163.900000107.5G136A134-G136 PolarHBondContact O-N 2.76Å
135E48.4Very low47Very low191 Ų191116.3 Ų116.389%0.89372%0.722SS**THydrogen-bonded Turntrans-6543.5165.4-68172.881.500111.7
136G53.8Low47.5Very low53 Ų53119.8 Ų119.855%0.54672%0.72SS.*THydrogen-bonded Turntrans-141.714.5-17400000114.1A134 D138A134-G136 PolarHBondContact O-N 2.76Å; G136-D138 PolarHBondContact O-N 2.76Å
137L48.3Very low48.4Very low127 Ų127116.9 Ų116.967%0.66571%0.705SS**G310 helixtrans-81.43.6-178.1-110.8155.3000114.3S139 L140L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 2.97Å; L137-L140 HydrophobicContact CD2-CD1 3.32Å; L137-L140 HydrophobicContact CD2-CG 4.02Å
138D44.5Very low48.7Very low163 Ų163114.6 Ų114.687%0.87269%0.692SS**G310 helixtrans-81.6-0.2172.7-150.8-108.7000113G136G136-D138 PolarHBondContact O-N 2.76Å
139S49Very low49.6Very low88 Ų88114.4 Ų114.462%0.61568%0.68SS**G310 helixtrans-127.537.9-173.7-75.70000114.6L137 G141L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 2.97Å; S139-G141 PolarHBondContact O-N 3.12Å
140L46.2Very low50.3Low140 Ų140114 Ų11473%0.73367%0.67SS**THydrogen-bonded Turntrans-7231.3173.1-93.3173.5000114.6L137L137-L140 HydrophobicContact CD2-CD1 3.32Å; L137-L140 HydrophobicContact CD2-CG 4.02Å
141G46.7Very low51Low84 Ų84112.3 Ų112.387%0.86666%0.658SS**THydrogen-bonded Turntrans-100.2-217500000115S139S139-G141 PolarHBondContact O-N 3.12Å
142S50.5Low51.6Low80 Ų80108.5 Ų108.556%0.55965%0.647SS**  trans-126.4129.6-170.7-162.20000114N144 S145S142-N144 PolarHBondContact O-N 3.28Å; S142-S145 PolarHBondContact O-N 3.2Å
143E48.2Very low52.5Low166 Ų166106.9 Ų106.978%0.77663%0.63SS**THydrogen-bonded Turntrans-54.9-17.2-176.5-162.115984.400114.5
144N52.4Low53.1Low131 Ų131107.9 Ų107.970%0.70162%0.617SS**THydrogen-bonded Turntrans-76.2-19.9-178.9-110.265.3000114.9S142S142-N144 PolarHBondContact O-N 3.28Å
145S51.3Low54Low61 Ų61108.1 Ų108.143%0.42762%0.615SS.*Hα-helixtrans-84.7-14.1-175.6-58.40000114.3S142 S147 S148 F149S142-S145 PolarHBondContact O-N 3.2Å; S145-S147 VanDerWaalsContact C-N 3.3Å; S145-S148 PolarHBondContact O-N 3.35Å; S145-F149 PolarHBondContact O-N 2.73Å
146R53.4Low54.6Low188 Ų188104.4 Ų104.471%0.70960%0.598SS**Hα-helixtrans-67-35169.9-73.2-175.7171.3115.20.3111.7L150R146-L150 PolarHBondContact O-N 3.44Å
147S53.8Low54.7Low73 Ų73104.1 Ų104.151%0.5158%0.583SS.*Hα-helixtrans-66.3-44.8175.2-1760000110.6S145 F149 L150 T151S145-S147 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.49Å; S147-L150 PolarHBondContact O-N 3.2Å; S147-T151 WeakPolarHBondContact O-CB 3.43Å; S147-T151 PolarHBondContact O-N 3.08Å; S147-T151 PolarHBondContact O-OG1 2.78Å
148S54.1Low54.7Low81 Ų81101.8 Ų101.857%0.56657%0.568SS**Hα-helixtrans-62.9-35.4177-70.30000114.2S145 A152S145-S148 PolarHBondContact O-N 3.35Å; S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.22Å; S148-A152 PolarHBondContact O-N 3.34Å
149F59.7Low55.4Low124 Ų12498 Ų9854%0.54455%0.554SS.*Hα-helixtrans-65.9-45.1173.6176.2-101.8000111.8S145 S147 A152 L153S145-F149 PolarHBondContact O-N 2.73Å; S147-F149 PolarHBondContact O-N 3.49Å; F149-A152 PolarHBondContact O-N 2.69Å; F149-L153 WeakPolarHBondContact O-CB 2.94Å; F149-L153 PolarHBondContact O-N 2.97Å
150L59.4Low55.4Low90 Ų9099 Ų9947%0.47155%0.549SS..Hα-helixtrans-69.3-34.7176.5-72.8-178.3000112.6R146 S147 L153 W154R146-L150 PolarHBondContact O-N 3.44Å; S147-L150 PolarHBondContact O-N 3.2Å; L150-L153 HydrophobicContact CD2-CD2 4.26Å; L150-L153 PolarHBondContact O-N 3.37Å; L150-W154 VanDerWaalsContact O-CB 3.28Å; L150-W154 WeakPolarHBondContact O-CB 3.01Å; L150-W154 PolarHBondContact O-N 2.89Å
151T63.6Low55.6Low78 Ų7895.6 Ų95.648%0.47953%0.531SS..Hα-helixtrans-65.7-41.8173.6-56.10000111.2S147 W154 S155S147-T151 WeakPolarHBondContact O-CB 3.43Å; S147-T151 PolarHBondContact O-N 3.08Å; S147-T151 PolarHBondContact O-OG1 2.78Å; T151-W154 PolarHBondContact O-N 2.77Å; T151-S155 PolarHBondContact O-N 3.48Å; T151-S155 PolarHBondContact O-OG 3.47Å
152A61Low56.1Low64 Ų6497.2 Ų97.253%0.52953%0.527SS..Hα-helixtrans-65.1-39.7174.800000112S148 F149 Q156S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.22Å; S148-A152 PolarHBondContact O-N 3.34Å; F149-A152 PolarHBondContact O-N 2.69Å; A152-Q156 PolarHBondContact O-N 3.5Å
153L67.7Low56.4Low88 Ų8897.1 Ų97.146%0.46153%0.526SS..Hα-helixtrans-66-38.9175.2-172.466.5000112.1F149 L150 M157F149-L153 WeakPolarHBondContact O-CB 2.94Å; F149-L153 PolarHBondContact O-N 2.97Å; L150-L153 HydrophobicContact CD2-CD2 4.26Å; L150-L153 PolarHBondContact O-N 3.37Å; L153-M157 WeakPolarHBondContact O-CB 3.47Å; L153-M157 PolarHBondContact O-N 3.21Å
154W59.7Low56.4Low129 Ų12992.5 Ų92.549%0.48951%0.507SS..Hα-helixtrans-69.8-43.5178.2-169.7-86.2000112.5L150 T151 Q156 M157 E158 L181L150-W154 VanDerWaalsContact O-CB 3.28Å; L150-W154 WeakPolarHBondContact O-CB 3.01Å; L150-W154 PolarHBondContact O-N 2.89Å; T151-W154 PolarHBondContact O-N 2.77Å; W154-Q156 VanDerWaalsContact C-N 3.28Å; W154-Q156 PolarHBondContact O-N 2.87Å; W154-M157 WeakPolarHBondContact O-CB 3.13Å; W154-M157 PolarHBondContact O-N 2.97Å; W154-M157 VanDerWaalsContact O-N 3.08Å; W154-E158 PolarHBondContact O-N 3.05Å; W154-L181 HydrophobicContact CH2-CD2 4.49Å; W154-L181 HydrophobicContact CZ3-CD2 4.49Å
155S63.3Low56.4Low72 Ų7290.6 Ų90.650%0.50350%0.501SS..Hα-helixtrans-63.7-32.3176.1-73.40000113T151 M157T151-S155 PolarHBondContact O-N 3.48Å; T151-S155 PolarHBondContact O-OG 3.47Å; S155-M157 VanDerWaalsContact C-N 3.32Å
156Q60.4Low56.4Low113 Ų11394.5 Ų94.553%0.52851%0.513SS..Hα-helixtrans-69.3-33.5173.4-176.962.575.900112A152 W154A152-Q156 PolarHBondContact O-N 3.5Å; W154-Q156 VanDerWaalsContact C-N 3.28Å; W154-Q156 PolarHBondContact O-N 2.87Å
157M54.6Low56.9Low47 Ų4790 Ų9023%0.23250%0.502CS..Hα-helixtrans-77.6-39179.9-171.4-177.6-6700112.4L153 W154 S155 S159 E160 L161 V171L153-M157 WeakPolarHBondContact O-CB 3.47Å; L153-M157 PolarHBondContact O-N 3.21Å; W154-M157 WeakPolarHBondContact O-CB 3.13Å; W154-M157 PolarHBondContact O-N 2.97Å; W154-M157 VanDerWaalsContact O-N 3.08Å; S155-M157 VanDerWaalsContact C-N 3.32Å; M157-S159 PolarHBondContact O-N 3.44Å; M157-E160 CarbonylContact O-C 3.54Å; M157-E160 PolarHBondContact O-N 3.08Å; M157-L161 HydrophobicContact CG-CD1 4.29Å; M157-L161 WeakPolarHBondContact O-CB 3.46Å; M157-L161 PolarHBondContact O-N 2.83Å; M157-V171 HydrophobicContact CE-CB 4.34Å; M157-V171 HydrophobicContact CE-CG1 3.4Å; M157-V171 HydrophobicContact CE-CG2 4.07Å; M157-V171 HydrophobicContact SD-CG1 3.69Å
158E48.6Very low57Low78 Ų7889.8 Ų89.836%0.36449%0.494SS..Hα-helixtrans-61.7-29.6177.1-172163.18400112.5W154 E160W154-E158 PolarHBondContact O-N 3.05Å; E158-E160 VanDerWaalsContact C-N 3.33Å
159S59Low57Low82 Ų8290.7 Ų90.757%0.57349%0.489SS*.THydrogen-bonded Turntrans-73.4-22.5175-170.80000113.9M157M157-S159 PolarHBondContact O-N 3.44Å
160E48.7Very low57.1Low110 Ų11094.8 Ų94.851%0.51450%0.501SS..THydrogen-bonded Turntrans-110.3-3-176.6-72.1-78.792.900112M157 E158 S163M157-E160 CarbonylContact O-C 3.54Å; M157-E160 PolarHBondContact O-N 3.08Å; E158-E160 VanDerWaalsContact C-N 3.33Å; E160-S163 WeakPolarHBondContact O-CB 3.28Å; E160-S163 PolarHBondContact O-N 3.13Å; E160-S163 VanDerWaalsContact O-N 3.15Å
161L51.9Low57.1Low68 Ų6891.9 Ų91.936%0.35649%0.487SS..THydrogen-bonded Turntrans-64.9-34.7-179-149.570.6000115.3M157 S163 M168M157-L161 HydrophobicContact CG-CD1 4.29Å; M157-L161 WeakPolarHBondContact O-CB 3.46Å; M157-L161 PolarHBondContact O-N 2.83Å; L161-S163 PolarHBondContact O-N 2.98Å; L161-M168 HydrophobicContact CD1-CB 4.38Å; L161-M168 HydrophobicContact CD1-CE 3.59Å; L161-M168 HydrophobicContact CD1-CG 4.2Å; L161-M168 HydrophobicContact CD2-CE 3.85Å; L161-M168 HydrophobicContact CG-CE 3.48Å; L161-M168 VanDerWaalsContact CG-CE 3.48Å
162P56.6Low56.9Low118 Ų11891 Ų9177%0.76648%0.479SS*.THydrogen-bonded Turntrans-75.3-9.817429.7-33.2000112.9
163S57Low56.6Low79 Ų7991.2 Ų91.255%0.55248%0.481SS*.THydrogen-bonded Turntrans-95.1-24.4-171.1-56.60000113.6E160 L161E160-S163 WeakPolarHBondContact O-CB 3.28Å; E160-S163 PolarHBondContact O-N 3.13Å; E160-S163 VanDerWaalsContact O-N 3.15Å; L161-S163 PolarHBondContact O-N 2.98Å
164D47.2Very low56.1Low68 Ų6888.7 Ų88.736%0.36447%0.47SS..  trans-150.4101.5-174.1-156.7-66.7000113.9E166 L167 M168D164-E166 VanDerWaalsContact C-N 3.33Å; D164-E166 WeakPolarHBondContact OD1-CB 3.44Å; D164-E166 PolarHBondContact OD1-N 3.04Å; D164-E166 VanDerWaalsContact OD1-N 3.11Å; D164-L167 HydrophobicContact CB-CB 3.87Å; D164-L167 HydrophobicContact CB-CD1 4.48Å; D164-L167 WeakPolarHBondContact OD1-CB 3.21Å; D164-L167 PolarHBondContact OD1-N 3.27Å; D164-M168 PolarHBondContact O-N 3.46Å
165P52.3Low55.7Low91 Ų9186.8 Ų86.859%0.59148%0.475SS*.Hα-helixtrans-71.3-25177.928.1-33.2000113.1M168 H169P165-M168 WeakPolarHBondContact O-CB 3.12Å; P165-M168 PolarHBondContact O-N 3.18Å; P165-H169 PolarHBondContact O-CD2 2.77Å; P165-H169 PolarHBondContact O-N 3.26Å
166E52.9Low55.6Low144 Ų14489.8 Ų89.867%0.67349%0.485SS*.Hα-helixtrans-74.7-34.8178.9-80.1-76.4110.500111.6D164 M168 H169 R170D164-E166 VanDerWaalsContact C-N 3.33Å; D164-E166 WeakPolarHBondContact OD1-CB 3.44Å; D164-E166 PolarHBondContact OD1-N 3.04Å; D164-E166 VanDerWaalsContact OD1-N 3.11Å; E166-M168 VanDerWaalsContact C-N 3.34Å; E166-H169 PolarHBondContact O-N 3.18Å; E166-R170 WeakPolarHBondContact O-CB 3.13Å; E166-R170 PolarHBondContact O-N 3.4Å
167L63.3Low55.7Low92 Ų9285.8 Ų85.848%0.48247%0.468SS..Hα-helixtrans-67.7-36.6174.7-143.2166.3000110.6D164 R170 V171D164-L167 HydrophobicContact CB-CB 3.87Å; D164-L167 HydrophobicContact CB-CD1 4.48Å; D164-L167 WeakPolarHBondContact OD1-CB 3.21Å; D164-L167 PolarHBondContact OD1-N 3.27Å; L167-R170 PolarHBondContact O-N 2.77Å; L167-V171 HydrophobicContact CD2-CG2 3.67Å; L167-V171 VanDerWaalsContact O-CB 3.29Å; L167-V171 WeakPolarHBondContact O-CB 3.39Å; L167-V171 WeakPolarHBondContact O-CG2 3.34Å; L167-V171 PolarHBondContact O-N 3.26Å
168M55Low55.7Low69 Ų6986.3 Ų86.334%0.3447%0.469SS..Hα-helixtrans-60.9-46.3171-171.2-166-7300111.1L161 D164 P165 E166 R170 V171 L172L161-M168 HydrophobicContact CD1-CB 4.38Å; L161-M168 HydrophobicContact CD1-CE 3.59Å; L161-M168 HydrophobicContact CD1-CG 4.2Å; L161-M168 HydrophobicContact CD2-CE 3.85Å; L161-M168 HydrophobicContact CG-CE 3.48Å; L161-M168 VanDerWaalsContact CG-CE 3.48Å; D164-M168 PolarHBondContact O-N 3.46Å; P165-M168 WeakPolarHBondContact O-CB 3.12Å; P165-M168 PolarHBondContact O-N 3.18Å; E166-M168 VanDerWaalsContact C-N 3.34Å; M168-R170 PolarHBondContact O-N 3.3Å; M168-V171 PolarHBondContact O-N 2.77Å; M168-L172 HydrophobicContact CG-CD1 3.75Å; M168-L172 HydrophobicContact CG-CG 4.27Å; M168-L172 WeakPolarHBondContact O-CB 3.44Å; M168-L172 VanDerWaalsContact O-CG 3.28Å; M168-L172 WeakPolarHBondContact O-CG 3.1Å; M168-L172 PolarHBondContact O-N 3.21Å; M168-L172 HydrophobicContact SD-CD1 4.22Å
169H55.4Low55.8Low101 Ų10187.3 Ų87.347%0.46848%0.477SS..Hα-helixtrans-61.6-42.9176.6-85.4-119.9000112.1P165 E166 V171 A173P165-H169 PolarHBondContact O-CD2 2.77Å; P165-H169 PolarHBondContact O-N 3.26Å; E166-H169 PolarHBondContact O-N 3.18Å; H169-V171 VanDerWaalsContact C-N 3.33Å; H169-V171 PolarHBondContact O-N 2.72Å; H169-A173 WeakPolarHBondContact O-CB 3.32Å; H169-A173 PolarHBondContact O-N 2.91Å
170R61.2Low55.8Low210 Ų21085.3 Ų85.379%0.79247%0.466SS*.Hα-helixtrans-63.5-38.6177.9-166.682.4176-157.11.2112.6E166 L167 M168 S174E166-R170 WeakPolarHBondContact O-CB 3.13Å; E166-R170 PolarHBondContact O-N 3.4Å; L167-R170 PolarHBondContact O-N 2.77Å; M168-R170 PolarHBondContact O-N 3.3Å; R170-S174 PolarHBondContact O-N 3.09Å
171V60.2Low56Low28 Ų2883.7 Ų83.717%0.1746%0.461CS..Hα-helixtrans-77.5-43.9-179167.70000110.7M157 L167 M168 H169 A173 S174 V177M157-V171 HydrophobicContact CE-CB 4.34Å; M157-V171 HydrophobicContact CE-CG1 3.4Å; M157-V171 HydrophobicContact CE-CG2 4.07Å; M157-V171 HydrophobicContact SD-CG1 3.69Å; L167-V171 HydrophobicContact CD2-CG2 3.67Å; L167-V171 VanDerWaalsContact O-CB 3.29Å; L167-V171 WeakPolarHBondContact O-CB 3.39Å; L167-V171 WeakPolarHBondContact O-CG2 3.34Å; L167-V171 PolarHBondContact O-N 3.26Å; M168-V171 PolarHBondContact O-N 2.77Å; H169-V171 VanDerWaalsContact C-N 3.33Å; H169-V171 PolarHBondContact O-N 2.72Å; V171-A173 VanDerWaalsContact C-N 3.31Å; V171-A173 PolarHBondContact O-N 3.47Å; V171-S174 WeakPolarHBondContact O-CB 3.44Å; V171-S174 PolarHBondContact O-N 3Å; V171-V177 HydrophobicContact CG1-CG1 4.4Å; V171-V177 HydrophobicContact CG1-CG2 3.87Å; V171-V177 WeakPolarHBondContact O-CB 3.31Å; V171-V177 VanDerWaalsContact O-CG2 3.29Å; V171-V177 WeakPolarHBondContact O-CG2 3.48Å
172L59.1Low55.9Low60 Ų6084.9 Ų84.931%0.31447%0.474SS..Hα-helixtrans-66.4-33.6175.8-70.4174.1000112M168 S174 V177 Q178 L181M168-L172 HydrophobicContact CG-CD1 3.75Å; M168-L172 HydrophobicContact CG-CG 4.27Å; M168-L172 WeakPolarHBondContact O-CB 3.44Å; M168-L172 VanDerWaalsContact O-CG 3.28Å; M168-L172 WeakPolarHBondContact O-CG 3.1Å; M168-L172 PolarHBondContact O-N 3.21Å; M168-L172 HydrophobicContact SD-CD1 4.22Å; L172-S174 PolarHBondContact O-N 2.74Å; L172-V177 HydrophobicContact CD2-CG1 4.38Å; L172-Q178 WeakPolarHBondContact O-CG 3.41Å; L172-L181 HydrophobicContact CD2-CD1 3.73Å
173A54.5Low55.6Low68 Ų6884.3 Ų84.356%0.56247%0.468SS*.THydrogen-bonded Turntrans-73.2-4.5171.700000113.6H169 V171 P175 Q178H169-A173 WeakPolarHBondContact O-CB 3.32Å; H169-A173 PolarHBondContact O-N 2.91Å; V171-A173 VanDerWaalsContact C-N 3.31Å; V171-A173 PolarHBondContact O-N 3.47Å; A173-P175 WeakPolarHBondContact O-CD 3.39Å; A173-Q178 PolarHBondContact O-NE2 2.99Å
174S56.3Low55.1Low35 Ų3584 Ų8425%0.24547%0.466CS..  trans-73.9124.5176.4-175.80000110.6R170 V171 L172 L176 V177 Q178R170-S174 PolarHBondContact O-N 3.09Å; V171-S174 WeakPolarHBondContact O-CB 3.44Å; V171-S174 PolarHBondContact O-N 3Å; L172-S174 PolarHBondContact O-N 2.74Å; S174-L176 PolarHBondContact O-N 3.33Å; S174-V177 PolarHBondContact O-N 3.42Å; S174-Q178 PolarHBondContact O-N 3.18Å; S174-Q178 PolarHBondContact O-NE2 3.36Å; S174-Q178 VanDerWaalsContact O-NE2 3.15Å
175P52.6Low55.1Low89 Ų8985.4 Ų85.458%0.57848%0.481SS*.Hα-helixtrans-58.6-23.1178.6-25.735.1000113.4A173 N179A173-P175 WeakPolarHBondContact O-CD 3.39Å; P175-N179 VanDerWaalsContact O-CB 3.26Å; P175-N179 WeakPolarHBondContact O-CB 3.37Å; P175-N179 VanDerWaalsContact O-CG 3.26Å; P175-N179 PolarHBondContact O-N 2.88Å
176L60.5Low54.2Low136 Ų13685.5 Ų85.571%0.71248%0.482SS*.Hα-helixtrans-74-35.9175.8-64.4171.5000112.2S174 A180S174-L176 PolarHBondContact O-N 3.33Å; L176-A180 VanDerWaalsContact O-CB 3.32Å; L176-A180 WeakPolarHBondContact O-CB 3.36Å; L176-A180 PolarHBondContact O-N 3.4Å
177V63.8Low53.9Low29 Ų2983.9 Ų83.918%0.17648%0.484CS..Hα-helixtrans-79.6-37.5175.9175.20000110V171 L172 S174 N179 A180 L181V171-V177 HydrophobicContact CG1-CG1 4.4Å; V171-V177 HydrophobicContact CG1-CG2 3.87Å; V171-V177 WeakPolarHBondContact O-CB 3.31Å; V171-V177 VanDerWaalsContact O-CG2 3.29Å; V171-V177 WeakPolarHBondContact O-CG2 3.48Å; L172-V177 HydrophobicContact CD2-CG1 4.38Å; S174-V177 PolarHBondContact O-N 3.42Å; V177-N179 VanDerWaalsContact C-N 3.32Å; V177-N179 PolarHBondContact O-N 3.19Å; V177-A180 CarbonylContact O-C 3.57Å; V177-A180 PolarHBondContact O-N 2.84Å; V177-A180 VanDerWaalsContact O-N 3.16Å; V177-L181 HydrophobicContact CG1-CD1 3.6Å; V177-L181 HydrophobicContact CG1-CG 4.01Å; V177-L181 VanDerWaalsContact O-CB 3.26Å; V177-L181 WeakPolarHBondContact O-CB 3.24Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.49Å; V177-L181 PolarHBondContact O-N 2.89Å
178Q54.2Low53.4Low57 Ų5785.9 Ų85.927%0.26649%0.494SS..Hα-helixtrans-60.8-42.4169.4-70.9164.681.900110.9L172 A173 S174 C182L172-Q178 WeakPolarHBondContact O-CG 3.41Å; A173-Q178 PolarHBondContact O-NE2 2.99Å; S174-Q178 PolarHBondContact O-N 3.18Å; S174-Q178 PolarHBondContact O-NE2 3.36Å; S174-Q178 VanDerWaalsContact O-NE2 3.15Å; Q178-C182 WeakPolarHBondContact O-CA 3.33Å; Q178-C182 WeakPolarHBondContact O-CB 3.38Å; Q178-C182 PolarHBondContact O-N 3.32Å; Q178-C182 PolarHBondContact O-SG 2.89Å
179N50.1Low53Low99 Ų9988.4 Ų88.453%0.52951%0.513SS..Hα-helixtrans-66.2-43.9171.5-79.3-3.7000110.7P175 V177 L181 T183P175-N179 VanDerWaalsContact O-CB 3.26Å; P175-N179 WeakPolarHBondContact O-CB 3.37Å; P175-N179 VanDerWaalsContact O-CG 3.26Å; P175-N179 PolarHBondContact O-N 2.88Å; V177-N179 VanDerWaalsContact C-N 3.32Å; V177-N179 PolarHBondContact O-N 3.19Å; N179-L181 VanDerWaalsContact C-N 3.35Å; N179-L181 PolarHBondContact O-N 3.31Å; N179-T183 HydrophobicContact CB-CG2 4.31Å; N179-T183 WeakPolarHBondContact O-CA 3.15Å; N179-T183 WeakPolarHBondContact O-CB 2.97Å; N179-T183 WeakPolarHBondContact O-CG2 3.46Å; N179-T183 PolarHBondContact O-N 3.16Å; N179-T183 PolarHBondContact O-OG1 3.2Å
180A58.1Low52.2Low41 Ų4187.1 Ų87.134%0.33953%0.527SS..Hα-helixtrans-63.4-36.7178.200000113.6L176 V177 S184L176-A180 VanDerWaalsContact O-CB 3.32Å; L176-A180 WeakPolarHBondContact O-CB 3.36Å; L176-A180 PolarHBondContact O-N 3.4Å; V177-A180 CarbonylContact O-C 3.57Å; V177-A180 PolarHBondContact O-N 2.84Å; V177-A180 VanDerWaalsContact O-N 3.16Å; A180-S184 WeakPolarHBondContact O-CB 3.44Å; A180-S184 PolarHBondContact O-N 3.45Å
181L54.8Low51.4Low76 Ų7685.1 Ų85.140%0.39853%0.527SS..Hα-helixtrans-81.6-45.8180-67.6174000111.9W154 L172 V177 N179W154-L181 HydrophobicContact CH2-CD2 4.49Å; W154-L181 HydrophobicContact CZ3-CD2 4.49Å; L172-L181 HydrophobicContact CD2-CD1 3.73Å; V177-L181 HydrophobicContact CG1-CD1 3.6Å; V177-L181 HydrophobicContact CG1-CG 4.01Å; V177-L181 VanDerWaalsContact O-CB 3.26Å; V177-L181 WeakPolarHBondContact O-CB 3.24Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.49Å; V177-L181 PolarHBondContact O-N 2.89Å; N179-L181 VanDerWaalsContact C-N 3.35Å; N179-L181 PolarHBondContact O-N 3.31Å
182C48.2Very low50.9Low93 Ų9390.2 Ų90.263%0.62854%0.543SS*.Hα-helixtrans-80.2-27.1-179.3-59.10000113.2Q178Q178-C182 WeakPolarHBondContact O-CA 3.33Å; Q178-C182 WeakPolarHBondContact O-CB 3.38Å; Q178-C182 PolarHBondContact O-N 3.32Å; Q178-C182 PolarHBondContact O-SG 2.89Å
183T50.8Low50.4Low106 Ų10690.7 Ų90.765%0.6555%0.552SS**Hα-helixtrans-85.4-15174.1720000113.1N179 S185N179-T183 HydrophobicContact CB-CG2 4.31Å; N179-T183 WeakPolarHBondContact O-CA 3.15Å; N179-T183 WeakPolarHBondContact O-CB 2.97Å; N179-T183 WeakPolarHBondContact O-CG2 3.46Å; N179-T183 PolarHBondContact O-N 3.16Å; N179-T183 PolarHBondContact O-OG1 3.2Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.92Å
184S46Very low50.2Low73 Ų7392.7 Ų92.751%0.5156%0.559SS.*THydrogen-bonded Turntrans-90.220.6174.4-169.50000113.5A180 P186A180-S184 WeakPolarHBondContact O-CB 3.44Å; A180-S184 PolarHBondContact O-N 3.45Å; S184-P186 WeakPolarHBondContact O-CD 3.44Å
185S47.6Very low49.5Very low97 Ų9796.2 Ų96.268%0.67858%0.583SS**  trans-98.981.2171.6-59.80000111.7T183T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.92Å
186P34.2Very low49.2Very low93 Ų9394.4 Ų94.460%0.60457%0.569SS**SBendtrans-123158.6139.135.4-24.7000110.1S184 L188S184-P186 WeakPolarHBondContact O-CD 3.44Å; P186-L188 PolarHBondContact O-N 3.25Å; P186-L188 VanDerWaalsContact O-N 3.11Å
187P46.2Very low48.9Very low110 Ų11092.2 Ų92.271%0.71456%0.563SS**  trans-61.7120.4-153.427-34.5000111.1T189P187-T189 PolarHBondContact O-N 2.83Å
188L52.3Low48.3Very low134 Ų13496.4 Ų96.470%0.70258%0.581SS**THydrogen-bonded Turntrans-67.330.2177.4-67.9170000112.9P186P186-L188 PolarHBondContact O-N 3.25Å; P186-L188 VanDerWaalsContact O-N 3.11Å
189T46.2Very low48.5Very low121 Ų12197.1 Ų97.174%0.74259%0.585SS**THydrogen-bonded Turntrans-88.8-16.2-174.9-28.10000112.2P187P187-T189 PolarHBondContact O-N 2.83Å
190G39.9Very low48.9Very low74 Ų7496.7 Ų96.776%0.76358%0.58SS**SBendtrans-120-18.9-170.100000117.8
191Q44.4Very low48.8Very low169 Ų169101.2 Ų101.279%0.7959%0.594SS**  trans-117.130.9-175.8-107.2-98.879.800112.1S193Q191-S193 PolarHBondContact O-N 3.45Å
192R50.2Low49Very low135 Ų135102 Ų10251%0.50960%0.599SS.*  trans-76.661.5168.8-154.4-178.2-171.799.61.3109.7
193S48.2Very low49.3Very low70 Ų7098.9 Ų98.949%0.4958%0.575SS.*  trans-64.2148.1159.3-79.50000108.3Q191 S195Q191-S193 PolarHBondContact O-N 3.45Å; S193-S195 PolarHBondContact O-N 2.97Å; S193-S195 PolarHBondContact O-OG 3.18Å
194P49.8Very low49.6Very low110 Ų11099.7 Ų99.771%0.71458%0.581SS**SBendtrans-76.648.4-163.334.4-38.7000113
195S42.5Very low50Low108 Ų108100.8 Ų100.876%0.75558%0.584SS**  trans-87-13.9-17248.50000114.1S193S193-S195 PolarHBondContact O-N 2.97Å; S193-S195 PolarHBondContact O-OG 3.18Å
196N45.2Very low49.9Very low51 Ų5199.8 Ų99.827%0.27357%0.571SS.*  trans-12899.7176.5-160.4-49.6000112Q198 I199 Q200N196-Q198 VanDerWaalsContact C-N 3.28Å; N196-Q198 PolarHBondContact O-N 3.32Å; N196-Q198 WeakPolarHBondContact OD1-CB 3.4Å; N196-Q198 PolarHBondContact OD1-N 3.15Å; N196-I199 HydrophobicContact CB-CB 4.27Å; N196-I199 HydrophobicContact CB-CD1 4.06Å; N196-I199 HydrophobicContact CB-CG1 4.28Å; N196-I199 PolarHBondContact OD1-N 3.47Å; N196-Q200 PolarHBondContact O-N 3.16Å
197P55.2Low51.1Low91 Ų91100.1 Ų100.159%0.59157%0.574SS**Hα-helixtrans-71.8-22.9178.728.5-33.4000112.6Q200 Q201P197-Q200 WeakPolarHBondContact O-CB 3.47Å; P197-Q200 PolarHBondContact O-N 3.11Å; P197-Q201 PolarHBondContact O-N 3.38Å
198Q50.4Low51.6Low117 Ų117102.4 Ų102.455%0.54757%0.574SS.*Hα-helixtrans-77.1-38.5-177.4-148.3148.1-55.500111.6N196 Q200 Q201 L202N196-Q198 VanDerWaalsContact C-N 3.28Å; N196-Q198 PolarHBondContact O-N 3.32Å; N196-Q198 WeakPolarHBondContact OD1-CB 3.4Å; N196-Q198 PolarHBondContact OD1-N 3.15Å; Q198-Q200 VanDerWaalsContact C-N 3.33Å; Q198-Q201 WeakPolarHBondContact O-CB 3.35Å; Q198-Q201 PolarHBondContact O-N 2.69Å; Q198-L202 WeakPolarHBondContact O-CG 3.22Å; Q198-L202 PolarHBondContact O-N 3.43Å
199I58.1Low51.8Low71 Ų7198.3 Ų98.336%0.36456%0.555SS.*Hα-helixtrans-67.6-34.6171.2-65.9174.8000110.6N196 Q201 L202 L203N196-I199 HydrophobicContact CB-CB 4.27Å; N196-I199 HydrophobicContact CB-CD1 4.06Å; N196-I199 HydrophobicContact CB-CG1 4.28Å; N196-I199 PolarHBondContact OD1-N 3.47Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-L202 PolarHBondContact O-N 3.32Å; I199-L203 HydrophobicContact CG2-CD1 3.64Å; I199-L203 WeakPolarHBondContact O-CD1 3.47Å; I199-L203 PolarHBondContact O-N 3.1Å
200Q57.7Low52.2Low90 Ų9097.8 Ų97.842%0.42154%0.544SS..Hα-helixtrans-62.7-40.3170.9-90.1173.377.600112.1N196 P197 Q198 T204N196-Q200 PolarHBondContact O-N 3.16Å; P197-Q200 WeakPolarHBondContact O-CB 3.47Å; P197-Q200 PolarHBondContact O-N 3.11Å; Q198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-T204 WeakPolarHBondContact O-CB 3.28Å; Q200-T204 PolarHBondContact O-N 2.98Å; Q200-T204 PolarHBondContact O-OG1 3.03Å
201Q57.6Low53Low137 Ų13799 Ų9964%0.6453%0.533SS*.Hα-helixtrans-65.1-40.2176.3-155.5108.92.100111.6P197 Q198 I199 T204 T205P197-Q201 PolarHBondContact O-N 3.38Å; Q198-Q201 WeakPolarHBondContact O-CB 3.35Å; Q198-Q201 PolarHBondContact O-N 2.69Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; Q201-T204 PolarHBondContact O-N 3.23Å; Q201-T205 VanDerWaalsContact O-CB 3.24Å; Q201-T205 WeakPolarHBondContact O-CB 3.45Å; Q201-T205 PolarHBondContact O-N 3.42Å; Q201-T205 PolarHBondContact O-OG1 3.17Å
202L57.7Low53.5Low93 Ų9395.1 Ų95.149%0.48752%0.516SS..Hα-helixtrans-69.6-41.3178.6-73.8164.4000112.6Q198 I199 T204 T205 N206Q198-L202 WeakPolarHBondContact O-CG 3.22Å; Q198-L202 PolarHBondContact O-N 3.43Å; I199-L202 PolarHBondContact O-N 3.32Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.45Å; L202-T205 PolarHBondContact O-N 3.47Å; L202-N206 PolarHBondContact O-N 2.89Å
203L55.8Low53.9Low26 Ų2693.1 Ų93.114%0.13652%0.515CS..Hα-helixtrans-64.9-36172.8-93.577.2000112.2I199 T205 E210 L213I199-L203 HydrophobicContact CG2-CD1 3.64Å; I199-L203 WeakPolarHBondContact O-CD1 3.47Å; I199-L203 PolarHBondContact O-N 3.1Å; L203-T205 VanDerWaalsContact C-N 3.33Å; L203-E210 HydrophobicContact CD2-CB 4.45Å; L203-E210 HydrophobicContact CD2-CG 4.09Å; L203-E210 HydrophobicContact CG-CB 4.24Å; L203-E210 HydrophobicContact CG-CG 4.43Å; L203-L213 HydrophobicContact CD1-CD1 3.88Å
204T55.6Low54.2Low124 Ų12495.5 Ų95.576%0.76152%0.522SS*.Hα-helixtrans-74.5-26.6178.9-45.80000112Q200 Q201 L202Q200-T204 WeakPolarHBondContact O-CB 3.28Å; Q200-T204 PolarHBondContact O-N 2.98Å; Q200-T204 PolarHBondContact O-OG1 3.03Å; Q201-T204 PolarHBondContact O-N 3.23Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.45Å
205T55.6Low54.4Low96 Ų9694 Ų9459%0.58951%0.508SS*.Hα-helixtrans-94.5-26.4-175.6-520000112.6Q201 L202 L203Q201-T205 VanDerWaalsContact O-CB 3.24Å; Q201-T205 WeakPolarHBondContact O-CB 3.45Å; Q201-T205 PolarHBondContact O-N 3.42Å; Q201-T205 PolarHBondContact O-OG1 3.17Å; L202-T205 PolarHBondContact O-N 3.47Å; L203-T205 VanDerWaalsContact C-N 3.33Å
206N45.9Very low54.8Low75 Ų7593.2 Ų93.240%0.40150%0.5SS..  trans-136.297.4-176.7-109.1-61.7000111.7L202 E208 V209L202-N206 PolarHBondContact O-N 2.89Å; N206-E208 PolarHBondContact O-N 3.43Å; N206-V209 HydrophobicContact CB-CB 4.31Å; N206-V209 HydrophobicContact CB-CG2 3.86Å; N206-V209 PolarHBondContact O-N 2.99Å; N206-V209 VanDerWaalsContact O-N 3.11Å
207P59.5Low55.2Low101 Ų10195.9 Ų95.966%0.65652%0.515SS*.Hα-helixtrans-66.6-19.7179.526.7-33.6000113.3E210 D211P207-E210 PolarHBondContact O-N 3.07Å; P207-D211 PolarHBondContact O-N 2.81Å
208E55.3Low55.3Low157 Ų15793.7 Ų93.773%0.73450%0.504SS*.Hα-helixtrans-69.6-30.7172.1-82.5-172.299.900112.9N206 E210 D211 M212N206-E208 PolarHBondContact O-N 3.43Å; E208-E210 VanDerWaalsContact C-N 3.3Å; E208-E210 PolarHBondContact O-N 3.36Å; E208-D211 PolarHBondContact O-N 3.08Å; E208-M212 VanDerWaalsContact O-CB 3.26Å; E208-M212 WeakPolarHBondContact O-CB 3.42Å; E208-M212 PolarHBondContact O-N 3.26Å
209V56.3Low55.5Low48 Ų4890.8 Ų90.829%0.29149%0.492SS..Hα-helixtrans-71.5-30.5176.81750000110.6N206 L213N206-V209 HydrophobicContact CB-CB 4.31Å; N206-V209 HydrophobicContact CB-CG2 3.86Å; N206-V209 PolarHBondContact O-N 2.99Å; N206-V209 VanDerWaalsContact O-N 3.11Å; V209-L213 HydrophobicContact CG1-CD1 3.82Å; V209-L213 HydrophobicContact CG1-CG 4.33Å; V209-L213 VanDerWaalsContact O-CB 3.25Å; V209-L213 WeakPolarHBondContact O-CB 3.07Å; V209-L213 WeakPolarHBondContact O-CD1 3.4Å; V209-L213 WeakPolarHBondContact O-CG 3.11Å; V209-L213 PolarHBondContact O-N 3.06Å
210E55.4Low55.1Low110 Ų11093.5 Ų93.551%0.51450%0.503SS..Hα-helixtrans-65.7-44.9172.1-170.3172.9122.200111.3L203 P207 E208 L213 N214L203-E210 HydrophobicContact CD2-CB 4.45Å; L203-E210 HydrophobicContact CD2-CG 4.09Å; L203-E210 HydrophobicContact CG-CB 4.24Å; L203-E210 HydrophobicContact CG-CG 4.43Å; P207-E210 PolarHBondContact O-N 3.07Å; E208-E210 VanDerWaalsContact C-N 3.3Å; E208-E210 PolarHBondContact O-N 3.36Å; E210-L213 PolarHBondContact O-N 3.04Å; E210-N214 WeakPolarHBondContact O-CB 3.02Å; E210-N214 PolarHBondContact O-N 2.9Å; E210-N214 VanDerWaalsContact O-N 3.15Å
211D56.1Low54.8Low99 Ų9996.1 Ų96.153%0.52952%0.515SS..Hα-helixtrans-68.7-38.5178.3-157.9-89.8000112.1P207 E208 N214 N215P207-D211 PolarHBondContact O-N 2.81Å; E208-D211 PolarHBondContact O-N 3.08Å; D211-N214 CarbonylContact O-C 3.56Å; D211-N214 WeakPolarHBondContact O-CB 3.16Å; D211-N214 PolarHBondContact O-N 3.48Å; D211-N214 VanDerWaalsContact O-N 3.09Å; D211-N215 WeakPolarHBondContact O-CB 3.17Å; D211-N215 PolarHBondContact O-N 3.01Å; D211-N215 PolarHBondContact OD1-ND2 2.94Å
212M55.4Low54.5Low88 Ų8892.8 Ų92.843%0.43351%0.505SS..Hα-helixtrans-69.1-35.5177.6-154.2176.178.900112.4E208 N214 N215 A218 I219E208-M212 VanDerWaalsContact O-CB 3.26Å; E208-M212 WeakPolarHBondContact O-CB 3.42Å; E208-M212 PolarHBondContact O-N 3.26Å; M212-N214 PolarHBondContact O-N 3.5Å; M212-N215 VanDerWaalsContact O-O 3.09Å; M212-A218 HydrophobicContact CG-CB 3.92Å; M212-I219 HydrophobicContact CG-CG1 4.08Å; M212-I219 WeakPolarHBondContact O-CD1 3.46Å; M212-I219 WeakPolarHBondContact O-CG1 3.36Å
213L58.4Low54.2Low94 Ų9492.4 Ų92.449%0.49250%0.503SS..Hα-helixtrans-71-19.8171-76166.8000113L203 V209 E210 I219L203-L213 HydrophobicContact CD1-CD1 3.88Å; V209-L213 HydrophobicContact CG1-CD1 3.82Å; V209-L213 HydrophobicContact CG1-CG 4.33Å; V209-L213 VanDerWaalsContact O-CB 3.25Å; V209-L213 WeakPolarHBondContact O-CB 3.07Å; V209-L213 WeakPolarHBondContact O-CD1 3.4Å; V209-L213 WeakPolarHBondContact O-CG 3.11Å; V209-L213 PolarHBondContact O-N 3.06Å; E210-L213 PolarHBondContact O-N 3.04Å; L213-I219 HydrophobicContact CD2-CD1 4.49Å
214N55.5Low54Low119 Ų11992.4 Ų92.464%0.63651%0.51SS*.Hα-helixtrans-93-22.9179.6-145.522.3000112.5E210 D211 M212 P216E210-N214 WeakPolarHBondContact O-CB 3.02Å; E210-N214 PolarHBondContact O-N 2.9Å; E210-N214 VanDerWaalsContact O-N 3.15Å; D211-N214 CarbonylContact O-C 3.56Å; D211-N214 WeakPolarHBondContact O-CB 3.16Å; D211-N214 PolarHBondContact O-N 3.48Å; D211-N214 VanDerWaalsContact O-N 3.09Å; M212-N214 PolarHBondContact O-N 3.5Å; N214-P216 WeakPolarHBondContact O-CD 3.31Å
215N52.3Low53.7Low79 Ų7990.8 Ų90.842%0.42250%0.496SS..  trans-108.995.5176.6-78.1-52000110.7D211 M212 D217 A218D211-N215 WeakPolarHBondContact O-CB 3.17Å; D211-N215 PolarHBondContact O-N 3.01Å; D211-N215 PolarHBondContact OD1-ND2 2.94Å; M212-N215 VanDerWaalsContact O-O 3.09Å; N215-D217 PolarHBondContact O-N 3.44Å; N215-A218 HydrophobicContact CB-CB 4.31Å; N215-A218 WeakPolarHBondContact O-CB 3.43Å; N215-A218 PolarHBondContact O-N 3.13Å
216P51.2Low53.4Low91 Ų9190.9 Ų90.959%0.59149%0.492SS*.Hα-helixtrans-62.1-26.6-175.825.1-34000113.6N214 A218 I219 E220N214-P216 WeakPolarHBondContact O-CD 3.31Å; P216-A218 VanDerWaalsContact C-N 3.33Å; P216-A218 PolarHBondContact O-N 3.34Å; P216-I219 PolarHBondContact O-N 2.85Å; P216-E220 PolarHBondContact O-N 3.21Å; P216-E220 VanDerWaalsContact O-N 3.14Å
217D54Low53.4Low108 Ų10896.4 Ų96.458%0.57851%0.507SS*.Hα-helixtrans-64.6-32174.8-101.2-91.1000113.2N215 I219 E220 Q221N215-D217 PolarHBondContact O-N 3.44Å; D217-I219 PolarHBondContact O-N 2.79Å; D217-E220 PolarHBondContact O-N 3.26Å; D217-Q221 PolarHBondContact O-N 2.84Å
218A56.5Low52.5Low44 Ų4498.4 Ų98.436%0.36451%0.508SS..Hα-helixtrans-72.9-20.8179.200000112.3M212 N215 P216 P222M212-A218 HydrophobicContact CG-CB 3.92Å; N215-A218 HydrophobicContact CB-CB 4.31Å; N215-A218 WeakPolarHBondContact O-CB 3.43Å; N215-A218 PolarHBondContact O-N 3.13Å; P216-A218 VanDerWaalsContact C-N 3.33Å; P216-A218 PolarHBondContact O-N 3.34Å; A218-P222 WeakPolarHBondContact O-CD 3.44Å; A218-P222 WeakPolarHBondContact O-CG 3.35Å
219I54.7Low52.3Low56 Ų5695.2 Ų95.229%0.28750%0.5SS..Hα-helixtrans-87.4-32.6173.7-61.6174.7000110.2M212 L213 P216 D217 P222 L223M212-I219 HydrophobicContact CG-CG1 4.08Å; M212-I219 WeakPolarHBondContact O-CD1 3.46Å; M212-I219 WeakPolarHBondContact O-CG1 3.36Å; L213-I219 HydrophobicContact CD2-CD1 4.49Å; P216-I219 PolarHBondContact O-N 2.85Å; D217-I219 PolarHBondContact O-N 2.79Å; I219-P222 WeakPolarHBondContact O-CD 3.43Å; I219-P222 WeakPolarHBondContact O-CG 3.32Å; I219-L223 HydrophobicContact CG2-CD1 3.44Å; I219-L223 VanDerWaalsContact CG2-CD1 3.44Å; I219-L223 WeakPolarHBondContact O-CB 3.45Å; I219-L223 WeakPolarHBondContact O-CD1 3.27Å; I219-L223 PolarHBondContact O-N 2.88Å
220E50.2Low51.8Low128 Ų128101.5 Ų101.560%0.59853%0.527SS*.Hα-helixtrans-67.6-34.9176.9-84.1-160.6107.200113.9P216 D217 G224P216-E220 PolarHBondContact O-N 3.21Å; P216-E220 VanDerWaalsContact O-N 3.14Å; D217-E220 PolarHBondContact O-N 3.26Å; E220-G224 WeakPolarHBondContact O-CA 3.47Å; E220-G224 PolarHBondContact O-N 3.43Å
221Q51.6Low51.6Low146 Ų146102.2 Ų102.268%0.68253%0.531SS*.Hα-helixtrans-64.5-45.7178.9-64.5-159.411.700114.4D217 L225D217-Q221 PolarHBondContact O-N 2.84Å; Q221-L225 PolarHBondContact O-N 3.4Å
222P50.9Low51.4Low66 Ų66100.4 Ų100.443%0.42952%0.524SS..Hα-helixtrans-73.3-34.4173.825.3-31.6000113A218 I219 G224 L225 I226A218-P222 WeakPolarHBondContact O-CD 3.44Å; A218-P222 WeakPolarHBondContact O-CG 3.35Å; I219-P222 WeakPolarHBondContact O-CD 3.43Å; I219-P222 WeakPolarHBondContact O-CG 3.32Å; P222-G224 VanDerWaalsContact C-N 3.33Å; P222-L225 PolarHBondContact O-N 2.89Å; P222-I226 WeakPolarHBondContact O-CG1 3.48Å; P222-I226 PolarHBondContact O-N 2.96Å
223L52.4Low51.2Low85 Ų85102.2 Ų102.245%0.44553%0.531SS..Hα-helixtrans-70.1-29.6173.5-97134.2000112.8I219 I226 R227I219-L223 HydrophobicContact CG2-CD1 3.44Å; I219-L223 VanDerWaalsContact CG2-CD1 3.44Å; I219-L223 WeakPolarHBondContact O-CB 3.45Å; I219-L223 WeakPolarHBondContact O-CD1 3.27Å; I219-L223 PolarHBondContact O-N 2.88Å; L223-I226 PolarHBondContact O-N 2.7Å; L223-R227 WeakPolarHBondContact O-CB 3.34Å; L223-R227 PolarHBondContact O-N 3.18Å
224G50.4Low50.7Low26 Ų26103 Ų10327%0.26853%0.533SS..Hα-helixtrans-66.6-40.8172.700000111.8E220 P222 I226 R227 E228E220-G224 WeakPolarHBondContact O-CA 3.47Å; E220-G224 PolarHBondContact O-N 3.43Å; P222-G224 VanDerWaalsContact C-N 3.33Å; G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 3.39Å; G224-R227 CarbonylContact O-C 3.56Å; G224-R227 PolarHBondContact O-N 2.79Å; G224-R227 VanDerWaalsContact O-N 3.1Å; G224-E228 PolarHBondContact O-N 3.22Å
225L49Very low50.6Low90 Ų90101.5 Ų101.547%0.47153%0.527SS..Hα-helixtrans-67.2-28173.8-166.963.7000112.9Q221 P222 M231Q221-L225 PolarHBondContact O-N 3.4Å; P222-L225 PolarHBondContact O-N 2.89Å; L225-M231 HydrophobicContact CD1-CB 4.48Å
226I49.5Very low50.7Low99 Ų99103.3 Ų103.351%0.50854%0.536SS..Hα-helixtrans-77.7-29.8171.7-65164.2000111.3P222 L223 G224P222-I226 WeakPolarHBondContact O-CG1 3.48Å; P222-I226 PolarHBondContact O-N 2.96Å; L223-I226 PolarHBondContact O-N 2.7Å; G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 3.39Å
227R46.9Very low50.6Low190 Ų190105.8 Ų105.872%0.71754%0.54SS*.Hα-helixtrans-82.9-24.3-178.2-166.4175.3-170.8171.14.7113.1L223 G224 P229L223-R227 WeakPolarHBondContact O-CB 3.34Å; L223-R227 PolarHBondContact O-N 3.18Å; G224-R227 CarbonylContact O-C 3.56Å; G224-R227 PolarHBondContact O-N 2.79Å; G224-R227 VanDerWaalsContact O-N 3.1Å; R227-P229 WeakPolarHBondContact O-CD 3.43Å
228E39.5Very low50.3Low144 Ų144107.3 Ų107.367%0.67354%0.541SS*.  trans-10489.3173.3-72.1-169.79800111G224 E230G224-E228 PolarHBondContact O-N 3.22Å; E228-E230 PolarHBondContact O-N 3.31Å
229P52.8Low50Low89 Ų89111.8 Ų111.858%0.57855%0.554SS**Hα-helixtrans-68.5-2.1-178.129-36.6000114.6R227 T232R227-P229 WeakPolarHBondContact O-CD 3.43Å; P229-T232 PolarHBondContact O-OG1 2.87Å
230E45.3Very low49.6Very low180 Ų180115.6 Ų115.684%0.84158%0.576SS**Hα-helixtrans-90.4-5.1-172.8-62.4-134.9115.800114.6E228E228-E230 PolarHBondContact O-N 3.31Å
231M50.5Low49.7Very low125 Ų125112.8 Ų112.862%0.61658%0.581SS**Hα-helixtrans-105-25.3175.2-161.9-179.8-71.500113.4L225 V235L225-M231 HydrophobicContact CD1-CB 4.48Å; M231-V235 PolarHBondContact O-N 3.28Å
232T52.4Low49.3Very low62 Ų62109.6 Ų109.638%0.3858%0.579SS.*Hα-helixtrans-67.4-38.9174.933.40000111.8P229 V235 I236P229-T232 PolarHBondContact O-OG1 2.87Å; T232-V235 PolarHBondContact O-N 2.88Å; T232-I236 VanDerWaalsContact O-CD1 3.26Å; T232-I236 WeakPolarHBondContact O-CD1 3.32Å; T232-I236 WeakPolarHBondContact O-CG1 3.32Å; T232-I236 PolarHBondContact O-N 3.2Å
233E51.7Low49Very low125 Ų125113.5 Ų113.558%0.58460%0.596SS**Hα-helixtrans-71.6-29.7179.1-154.6131.2113.400112.6Q237E233-Q237 WeakPolarHBondContact O-CB 3.38Å; E233-Q237 PolarHBondContact O-N 3.05Å
234E47.5Very low48.6Very low112 Ų112118 Ų11852%0.52361%0.614SS.*Hα-helixtrans-73-34.2174.3-161.3-173.611800112K238E234-K238 HydrophobicContact CG-CD 4.28Å; E234-K238 WeakPolarHBondContact O-CB 3.21Å; E234-K238 PolarHBondContact O-N 3.21Å; E234-K238 IonicContact OE1-NZ 2.89Å; E234-K238 PolarHBondContact OE1-NZ 3.19Å
235V54.3Low48.2Very low86 Ų86124.1 Ų124.152%0.52164%0.641SS.*Hα-helixtrans-68.8-41.9172.4157.50000111.2M231 T232 Q237 E239M231-V235 PolarHBondContact O-N 3.28Å; T232-V235 PolarHBondContact O-N 2.88Å; V235-Q237 PolarHBondContact O-N 2.69Å; V235-E239 PolarHBondContact O-N 3.43Å
236I53.3Low47.7Very low117 Ų117126.3 Ų126.360%0.666%0.658SS**Hα-helixtrans-68.6-34.4178.7-61.8158.8000111.3T232T232-I236 VanDerWaalsContact O-CD1 3.26Å; T232-I236 WeakPolarHBondContact O-CD1 3.32Å; T232-I236 WeakPolarHBondContact O-CG1 3.32Å; T232-I236 PolarHBondContact O-N 3.2Å
237Q48.3Very low46.9Very low144 Ų144127.1 Ų127.167%0.67367%0.67SS**Hα-helixtrans-82.3-30.3178.2-79.5-177.31000114.7E233 V235E233-Q237 WeakPolarHBondContact O-CB 3.38Å; E233-Q237 PolarHBondContact O-N 3.05Å; V235-Q237 PolarHBondContact O-N 2.69Å
238K49.4Very low46.4Very low139 Ų139127.1 Ų127.160%0.60468%0.68SS**Hα-helixtrans-77.6-22.1177.3-86.5177.5175.91640113.6E234E234-K238 HydrophobicContact CG-CD 4.28Å; E234-K238 WeakPolarHBondContact O-CB 3.21Å; E234-K238 PolarHBondContact O-N 3.21Å; E234-K238 IonicContact OE1-NZ 2.89Å; E234-K238 PolarHBondContact OE1-NZ 3.19Å
239E49.8Very low46.3Very low138 Ų138127 Ų12765%0.64569%0.689SS**Hα-helixtrans-77.4-30.6179.5-144.8163.6123.400112.6V235V235-E239 PolarHBondContact O-N 3.43Å
240D46.7Very low45.8Very low137 Ų137131 Ų13173%0.73370%0.7SS**Hα-helixtrans-73-30-179.6-158.7-110.4000112.7A242D240-A242 PolarHBondContact O-N 3.24Å
241G51.8Low45.3Very low68 Ų68128.9 Ų128.970%0.70169%0.694SS**THydrogen-bonded Turntrans-78.7-10.1178.500000115.7
242A43.4Very low44.8Very low79 Ų79128.4 Ų128.465%0.65369%0.694SS**THydrogen-bonded Turntrans-101.6-3.9-174.900000114.3D240D240-A242 PolarHBondContact O-N 3.24Å
243L44.2Very low44.4Very low148 Ų148131.8 Ų131.878%0.77572%0.718SS**SBendtrans-98.3-5.6-179.8-65.2177.7000114.5N245L243-N245 VanDerWaalsContact C-N 3.3Å; L243-N245 PolarHBondContact O-N 2.98Å
244E44.1Very low44.1Very low179 Ų179129.6 Ų129.684%0.83672%0.72SS**THydrogen-bonded Turntrans-87.222.9-179.5-157.7166.5110.600114.4
245N42.4Very low44.2Very low156 Ų156130.5 Ų130.583%0.83473%0.729SS**THydrogen-bonded Turntrans-155.145177.8-113.7-39.3000117.5L243L243-N245 VanDerWaalsContact C-N 3.3Å; L243-N245 PolarHBondContact O-N 2.98Å
246V37.7Very low44Very low135 Ų135131.5 Ų131.582%0.81874%0.736SS**SBendtrans-148.1127.6155.3-169.70000110.6
247P33.9Very low43.6Very low117 Ų117129.3 Ų129.376%0.7674%0.735SS**  trans-79.5155.6-168.832.5-35.1000114
248M35.7Very low43.6Very low190 Ų190127.7 Ų127.794%0.93673%0.73SS**  trans-21.5121.6167.7-85.7-159.8150.300116.3
249V37.1Very low43.4Very low142 Ų142127.7 Ų127.786%0.86173%0.732SS**  trans-140.3123.9140.8175.70000109.9
250Q41.5Very low43.5Very low171 Ų171125.5 Ų125.580%0.79973%0.728SS**  trans-59.7124.5167.2170.2173.2-300112
251D35.5Very low43.3Very low136 Ų136126.5 Ų126.573%0.72773%0.726SS**  trans157.2131.4132.8-114.3-92.4000112.4
252N40.3Very low43.1Very low116 Ų116129.9 Ų129.962%0.6272%0.724SS**  trans70.5111.3153-149.2-11.7000120.4A254N252-A254 VanDerWaalsContact C-N 3.34Å; N252-A254 PolarHBondContact O-N 3.46Å
253P43.4Very low43Very low133 Ų133130 Ų13086%0.86472%0.716SS**THydrogen-bonded Turntrans-81.812.6-173.733.3-36.5000116.7
254A45.5Very low43Very low78 Ų78128.7 Ų128.765%0.64571%0.71SS**THydrogen-bonded Turntrans-100.7-8-174.900000115.6N252N252-A254 VanDerWaalsContact C-N 3.34Å; N252-A254 PolarHBondContact O-N 3.46Å
255N49.5Very low43Very low131 Ų131126.5 Ų126.570%0.70170%0.704SS**SBendtrans-120.4-4.3-170.3-118.711.3000116.3
256T49.8Very low43.2Very low108 Ų108123 Ų12366%0.66370%0.696SS**SBendtrans-84-24.9179-52.20000113L258T256-L258 VanDerWaalsContact C-N 3.34Å; T256-L258 PolarHBondContact O-N 3.46Å
257A45.8Very low43.2Very low71 Ų71126.1 Ų126.159%0.58770%0.699SS**Hα-helixtrans-71.4-24.4179.900000113.7
258L47.5Very low43.6Very low109 Ų109129 Ų12957%0.57171%0.705SS**Hα-helixtrans-84.8-22.3179.2-86.6-164.5000114.9T256 Q262T256-L258 VanDerWaalsContact C-N 3.34Å; T256-L258 PolarHBondContact O-N 3.46Å; L258-Q262 PolarHBondContact O-N 2.69Å
259H46.4Very low44.1Very low140 Ų140128.6 Ų128.665%0.64870%0.7SS**Hα-helixtrans-81.9-19-177.9-156.6-87.6000113.2T263H259-T263 PolarHBondContact O-OG1 3.26Å
260V50.8Low44.5Very low92 Ų92130.4 Ų130.456%0.55870%0.7SS**Hα-helixtrans-83.9-39.6176.41800000111.5T263V260-T263 PolarHBondContact O-N 2.83Å
261F43.4Very low44.3Very low158 Ų158131.7 Ų131.769%0.69371%0.706SS**Hα-helixtrans-69.9-34.6175.7-85.8-80.7000113.2T263F261-T263 VanDerWaalsContact C-N 3.33Å; F261-T263 PolarHBondContact O-N 2.88Å
262Q47Very low44.1Very low139 Ų139131.4 Ų131.465%0.6570%0.704SS**Hα-helixtrans-75.1-15.6176.6-98.6167.38.200115.1L258L258-Q262 PolarHBondContact O-N 2.69Å
263T42.6Very low43.9Very low80 Ų80133.4 Ų133.449%0.49171%0.713SS.*Hα-helixtrans-87.3-17.9-178.4-55.90000112.8H259 V260 F261H259-T263 PolarHBondContact O-OG1 3.26Å; V260-T263 PolarHBondContact O-N 2.83Å; F261-T263 VanDerWaalsContact C-N 3.33Å; F261-T263 PolarHBondContact O-N 2.88Å
264N44Very low43.3Very low121 Ų121134.4 Ų134.465%0.64770%0.704SS**Hα-helixtrans-87.1-23.2177.7-71-28.8000113.6
265D44.3Very low42.6Very low133 Ų133138.6 Ų138.671%0.71171%0.71SS**THydrogen-bonded Turntrans-80-14.7174.9-82.2-74.2000114.4
266A44.7Very low41.6Very low82 Ų82137.2 Ų137.268%0.67871%0.706SS**THydrogen-bonded Turntrans-95.5-1.9-173.600000115.5
267K39.6Very low40.6Very low201 Ų201139.9 Ų139.987%0.87471%0.711SS**SBendtrans-114.9-3.2177.3-110.8-174.7171.6-170.50115.4
268M40.8Very low39.7Very low178 Ų178144.7 Ų144.788%0.87772%0.719SS**SBendtrans-107.226.3174.1-154179.5-7100112.5
269Q46.1Very low38.7Very low181 Ų181144.2 Ų144.285%0.84672%0.721SS**SBendtrans-124.443.9170.7-157.717476.800111.5
270Q45.5Very low37.5Very low181 Ų181145.3 Ų145.385%0.84673%0.728SS**SBendtrans-146.355.5165.5-156.6170.6103.500111.4
271Q37.5Very low36.5Very low198 Ų198150.1 Ų150.193%0.92574%0.742SS**  trans-165.155.1150.2-114.4171.3-27.700112
272D32.3Very low36.1Very low129 Ų129148.2 Ų148.269%0.6975%0.746SS**  trans-87.5120.8142.6-174.3-93000106.4
273I34.9Very low34.9Very low158 Ų158147.8 Ų147.881%0.8175%0.747SS**  trans-162.999.1136.7-81.9137.8000106.4
274K30.7Very low34Very low155 Ų155151.3 Ų151.367%0.67476%0.762SS**  trans25132.3134.9-58.7-177.2-179.9-179.10119.9
275Q30.6Very low32.9Very low166 Ų166150 Ų15078%0.77676%0.759SS**  85.3117.9128.3-88.7172.7-51.800120.7
276T28.7Very low31.9Very low101 Ų101149.5 Ų149.562%0.6276%0.76SS**  87.8124.1126.1-60.10000117.8
277Q29Very low30.8Very low165 Ų165151.5 Ų151.577%0.77177%0.769SS**  trans76.3127.3151.9-94.7179.26800119.2
278K27.9Very low30Very low171 Ų171147.6 Ų147.674%0.74377%0.766SS**  82.8104.1128.5-155.4169-176.3176.80116.2
279T26.1Very low29.1Very low100 Ų100148.2 Ų148.261%0.61377%0.767SS**  82.4123120.9-57.30000118.4
280M21.9Very low28.1Very low163 Ų163144.1 Ų144.180%0.80376%0.758SS**  trans77.1119.1132.2-164.4175.8-73.300118.2
281F29.1Very low27.2Very low192 Ų192144 Ų14484%0.84276%0.757SS**  trans-16.9153149.4-65.3-86.9000116.1
282P34.5Very low26.7Very low119 Ų119143.8 Ų143.877%0.77376%0.756SS**  -139139.595.8149.2000112.9
283L22.3Very low26.3Very low129 Ų129141 Ų14168%0.67576%0.758SS**  86.7115.961.5-172.276.8000112.6T285L283-T285 HydrophobicContact CD1-CG2 3.82Å; L283-T285 HydrophobicContact CD2-CG2 4.08Å; L283-T285 HydrophobicContact CG-CG2 3.73Å
284L23.2Very low26.4Very low155 Ų155139.9 Ų139.981%0.81276%0.761SS**  -159.797.6126.5-12571.9000107
285T22.1Very low26.1Very low93 Ų93136.4 Ų136.457%0.57177%0.769SS**  67.8140.491.882.50000112.4L283L283-T285 HydrophobicContact CD1-CG2 3.82Å; L283-T285 HydrophobicContact CD2-CG2 4.08Å; L283-T285 HydrophobicContact CG-CG2 3.73Å
286T23.2Very low25.9Very low122 Ų122132 Ų13275%0.74877%0.769SS**  cis-153.6125.719.752.90000108.1
287S20.8Very low25.9Very low124 Ų124138.3 Ų138.387%0.86778%0.781SS**  69.7129.296.6-149.20000118.8
288C22.8Very low25.9Very low120 Ų120136.3 Ų136.381%0.81178%0.78SS**  trans-69163.7-179.8-48.20000115.4
289E21.9Very low26Very low191 Ų191133.3 Ų133.389%0.89378%0.781SS**  -173128.8126.2-149.3157.185.400115.4
290S24Very low26.3Very low95 Ų95135 Ų13566%0.66479%0.793SS**  trans47.6131.4139.7-57.60000128.3
291H27.4Very low26.5Very low177 Ų177133.3 Ų133.382%0.81979%0.793SS**  trans52.9115.4134.6-73.3-79.4000123.9
292Q27.8Very low26.9Very low194 Ų194129.5 Ų129.591%0.90779%0.79SS**  153.9136.8126.3-88.117537.600112.4
293G24.1Very low27Very low70 Ų70129.5 Ų129.572%0.72279%0.79SS**  trans-76177.3161.600000111.5
294P35.4Very low28.1Very low135 Ų135129 Ų12988%0.87780%0.795SS**  cis-137.9167.324.138.6-19.4000116.6
295G25Very low28.8Very low82 Ų82127 Ų12785%0.84579%0.793SS**  trans98.8121.1143.100000119.5
296G27.5Very low29.5Very low75 Ų75128.3 Ų128.377%0.77380%0.804SS**  trans106.995.313600000119.6
297R27.9Very low29.6Very low233 Ų233130.1 Ų130.188%0.87981%0.809SS**  trans49.6109.3140.8-67.6174.983-154.57.8118.7
298T28.9Very low30.1Very low122 Ų122129 Ų12975%0.74880%0.801SS**  165.4137.79341.40000111.6
299S29.5Very low30.4Very low109 Ų109130.5 Ų130.576%0.76281%0.806SS**  trans67.8115.4154.2-46.50000120
300P33.2Very low30.8Very low134 Ų134127.9 Ų127.987%0.8780%0.799SS**PPolyproline II helixtrans-91130.6176.733.8-28.8000113.4
301T26.2Very low30.9Very low129 Ų129128.9 Ų128.979%0.79181%0.805SS**PPolyproline II helixtrans-76.3145.5158.8-620000110
302S36.3Very low31.1Very low111 Ų111128.1 Ų128.178%0.77681%0.806SS**PPolyproline II helixtrans-54.1149159.9-48.90000111.7
303P36.7Very low31.4Very low119 Ų119129.7 Ų129.777%0.77380%0.804SS**  trans-139.3171.414429.7-10.7000114.5
304P46.3Very low31.5Very low120 Ų120133.9 Ų133.978%0.77981%0.805SS**  trans-98.5-175.9-17235-21.7000113.6
305S37.3Very low31.4Very low111 Ų111135.4 Ų135.478%0.77681%0.805SS**  trans-24.8165.4176.8-360000119.8
306P37.5Very low31.8Very low122 Ų122137.8 Ų137.879%0.79280%0.803SS**  -153.7152.999.937.7-18.4000118.3
307D24.3Very low31.9Very low160 Ų160139 Ų13986%0.85681%0.806SS**  trans54.9144.6135.7-117.6-59.8000125.8
308S32Very low32.3Very low101 Ų101132.8 Ų132.871%0.70680%0.798SS**  trans-91.2155.7-175.2-63.20000112.3
309T28.8Very low32.9Very low151 Ų151132.6 Ų132.693%0.92680%0.799SS**  trans-141.7135.9147.334.60000111.1
310D29.6Very low33.9Very low136 Ų136134.9 Ų134.973%0.72780%0.801SS**  trans-74.5146.7-174.2-167.8-80.6000113.3
311S26.4Very low34.4Very low115 Ų115135 Ų13580%0.80480%0.799SS**  trans-177.3111.1135.4-79.80000112.3
312L32.9Very low35.2Very low161 Ų161131.9 Ų131.984%0.84379%0.793SS**  trans-36.8126.2155.7-81.6152.4000114.2
313R33.5Very low35.8Very low227 Ų227131.9 Ų131.986%0.85779%0.793SS**  trans-168.1133.3138.2-117.7174.4165.1168.7-3.5114.2
314E26.3Very low36.2Very low159 Ų159133.9 Ų133.974%0.74380%0.796SS**  trans8790.3148-121.9153.198.500119.1T316E314-T316 PolarHBondContact O-N 2.91Å
315L33.6Very low36.5Very low167 Ų167132.8 Ų132.887%0.87478%0.784SS**  trans-47.7119.4146-65.9162.4000110.3
316T33.5Very low37.2Very low131 Ų131130.6 Ų130.680%0.80477%0.772SS**  trans-165.7137.6136.740.30000110.8E314E314-T316 PolarHBondContact O-N 2.91Å
317A29.3Very low38Very low102 Ų102127.4 Ų127.484%0.84376%0.762SS**  trans78.3105.9167.800000118.9
318S37.1Very low39.7Very low101 Ų101123.3 Ų123.371%0.70674%0.74SS**  trans-69.9167157.5-370000110.6
319P41.4Very low40.8Very low118 Ų118123.3 Ų123.377%0.76673%0.728SS**  -123.3143.854.123.5-3.4000115.9T321P319-T321 PolarHBondContact O-N 2.94Å
320I48.8Very low42.3Very low158 Ų158120 Ų12081%0.8171%0.711SS**  trans-62112.8163.1-66.3150.1000108.9
321T45.6Very low43.8Very low136 Ų136118.3 Ų118.383%0.83470%0.702SS**  trans-157.78.5164.832.80000115.1P319P319-T321 PolarHBondContact O-N 2.94Å
322G41.6Very low45.2Very low63 Ų63114.1 Ų114.165%0.64967%0.67SS**SBendtrans-108.9-23-170.400000118.1
323S49.3Very low46.5Very low112 Ų112112.9 Ų112.978%0.78366%0.66SS**SBendtrans-99.3-9.5-158-150.50000116.3
324L44.3Very low47.6Very low161 Ų161107.8 Ų107.884%0.84365%0.646SS**Hα-helixtrans-83.6-23.8175.5-67.4170.8000112.5A326L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.39Å
325N52.6Low48.9Very low96 Ų96101.6 Ų101.651%0.51362%0.618SS.*Hα-helixtrans-73.1-23.4-177-156.928.1000112.1Q329N325-Q329 PolarHBondContact ND2-NE2 2.68Å; N325-Q329 WeakPolarHBondContact O-CB 3.19Å; N325-Q329 WeakPolarHBondContact O-CG 3.19Å; N325-Q329 PolarHBondContact O-N 3.09Å; N325-Q329 VanDerWaalsContact O-N 3.09Å; N325-Q329 PolarHBondContact O-NE2 2.75Å
326A53.8Low49.9Very low65 Ų6596.9 Ų96.954%0.53760%0.596SS.*Hα-helixtrans-74.9-46.9-176.800000112.9L324 L328 S330L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 3.39Å; A326-L328 VanDerWaalsContact C-N 3.35Å; A326-L328 PolarHBondContact O-N 3.48Å; A326-S330 PolarHBondContact O-N 3.19Å
327G54.1Low50.9Low55 Ų5594.1 Ų94.157%0.56759%0.586SS**Hα-helixtrans-69.1-33.8-179.800000113.1S330 L331G327-S330 PolarHBondContact O-N 2.85Å; G327-L331 PolarHBondContact O-N 3.31Å
328L58.9Low51.8Low75 Ų7591 Ų9139%0.39356%0.558SS.*Hα-helixtrans-82-30.7-178.8-158.3158.8000112A326 S330 L331 L332 F364A326-L328 VanDerWaalsContact C-N 3.35Å; A326-L328 PolarHBondContact O-N 3.48Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 3.05Å; L328-L331 PolarHBondContact O-N 3.43Å; L328-L332 WeakPolarHBondContact O-CB 3.5Å; L328-L332 PolarHBondContact O-N 2.88Å; L328-F364 HydrophobicContact CD1-CE2 4.46Å; L328-F364 HydrophobicContact CD2-CD2 3.79Å; L328-F364 HydrophobicContact CD2-CE2 3.3Å; L328-F364 HydrophobicContact CD2-CZ 4.26Å; L328-F364 HydrophobicContact CG-CE2 4.37Å
329Q56Low52.7Low101 Ų10190.7 Ų90.747%0.47255%0.554SS.*Hα-helixtrans-62.3-35.2167-82.6177.198.900112.2N325 L332 Q333N325-Q329 PolarHBondContact ND2-NE2 2.68Å; N325-Q329 WeakPolarHBondContact O-CB 3.19Å; N325-Q329 WeakPolarHBondContact O-CG 3.19Å; N325-Q329 PolarHBondContact O-N 3.09Å; N325-Q329 VanDerWaalsContact O-N 3.09Å; N325-Q329 PolarHBondContact O-NE2 2.75Å; Q329-L332 PolarHBondContact O-N 3.29Å; Q329-Q333 WeakPolarHBondContact O-CB 3.44Å; Q329-Q333 PolarHBondContact O-N 3.49Å
330S58.8Low53.5Low81 Ų8187 Ų8757%0.56654%0.537SS*.Hα-helixtrans-66.4-38.3175.9-151.80000112.1A326 G327 L328 E334A326-S330 PolarHBondContact O-N 3.19Å; G327-S330 PolarHBondContact O-N 2.85Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 3.05Å; S330-E334 WeakPolarHBondContact O-CB 3.46Å; S330-E334 PolarHBondContact O-N 3.47Å
331L62.3Low54.1Low100 Ų10083.3 Ų83.352%0.52452%0.519SS..Hα-helixtrans-69-38.1173.1-165.993.9000111.8G327 L328 Q333 E334 I335G327-L331 PolarHBondContact O-N 3.31Å; L328-L331 PolarHBondContact O-N 3.43Å; L331-Q333 VanDerWaalsContact C-N 3.34Å; L331-E334 WeakPolarHBondContact O-CB 3.44Å; L331-E334 PolarHBondContact O-N 3.4Å; L331-I335 HydrophobicContact CD2-CD1 3.71Å; L331-I335 HydrophobicContact CG-CD1 3.82Å; L331-I335 HydrophobicContact CG-CG1 4.42Å; L331-I335 WeakPolarHBondContact O-CB 3.46Å; L331-I335 WeakPolarHBondContact O-CD1 3.19Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.01Å
332L54.6Low54.8Low27 Ų2779 Ų7914%0.14149%0.492CS..Hα-helixtrans-68.9-34.6177.2-165.9142.3000111.4L328 Q329 T336 Q367L328-L332 WeakPolarHBondContact O-CB 3.5Å; L328-L332 PolarHBondContact O-N 2.88Å; Q329-L332 PolarHBondContact O-N 3.29Å; L332-T336 HydrophobicContact CD2-CG2 4.31Å; L332-T336 WeakPolarHBondContact O-CB 3.32Å; L332-T336 WeakPolarHBondContact O-CG2 3.09Å; L332-T336 PolarHBondContact O-N 2.91Å; L332-T336 PolarHBondContact O-OG1 3.22Å; L332-Q367 HydrophobicContact CD1-CG 4.43Å
333Q62.1Low55.3Low136 Ų13682.3 Ų82.364%0.63649%0.491SS*.Hα-helixtrans-66.1-37.5170.8-15280.630.600111.4Q329 L331 T336 A337Q329-Q333 WeakPolarHBondContact O-CB 3.44Å; Q329-Q333 PolarHBondContact O-N 3.49Å; L331-Q333 VanDerWaalsContact C-N 3.34Å; Q333-T336 WeakPolarHBondContact CA-OG1 3.41Å; Q333-T336 PolarHBondContact O-OG1 3.46Å; Q333-A337 WeakPolarHBondContact O-CB 3.11Å; Q333-A337 PolarHBondContact O-N 3.08Å
334E55.2Low55.7Low120 Ų12082.1 Ų82.156%0.56148%0.48SS*.Hα-helixtrans-70.7-41176.5-169.898.360.500112.4S330 L331 A337 S338S330-E334 WeakPolarHBondContact O-CB 3.46Å; S330-E334 PolarHBondContact O-N 3.47Å; L331-E334 WeakPolarHBondContact O-CB 3.44Å; L331-E334 PolarHBondContact O-N 3.4Å; E334-A337 PolarHBondContact O-N 3.44Å; E334-S338 VanDerWaalsContact O-CB 3.28Å; E334-S338 WeakPolarHBondContact O-CB 3.18Å; E334-S338 PolarHBondContact O-N 3.49Å; E334-S338 PolarHBondContact O-OG 3.19Å
335I54Low56.4Low29 Ų2977 Ų7715%0.14945%0.453CS..Hα-helixtrans-69.2-40177.6-69.5165.1000110.6L331 S338 T342 M368L331-I335 HydrophobicContact CD2-CD1 3.71Å; L331-I335 HydrophobicContact CG-CD1 3.82Å; L331-I335 HydrophobicContact CG-CG1 4.42Å; L331-I335 WeakPolarHBondContact O-CB 3.46Å; L331-I335 WeakPolarHBondContact O-CD1 3.19Å; L331-I335 WeakPolarHBondContact O-CG1 3.32Å; L331-I335 PolarHBondContact O-N 3.01Å; I335-S338 CarbonylContact O-C 3.53Å; I335-S338 PolarHBondContact O-N 2.77Å; I335-T342 HydrophobicContact CG2-CG2 3.36Å; I335-T342 WeakPolarHBondContact O-CG2 3.34Å; I335-M368 HydrophobicContact CG2-CE 4.37Å
336T55.1Low56.8Low68 Ų6876.5 Ų76.542%0.41745%0.45SS..Hα-helixtrans-75.3-28.6174.7510000112.8L332 Q333 S338L332-T336 HydrophobicContact CD2-CG2 4.31Å; L332-T336 WeakPolarHBondContact O-CB 3.32Å; L332-T336 WeakPolarHBondContact O-CG2 3.09Å; L332-T336 PolarHBondContact O-N 2.91Å; L332-T336 PolarHBondContact O-OG1 3.22Å; Q333-T336 WeakPolarHBondContact CA-OG1 3.41Å; Q333-T336 PolarHBondContact O-OG1 3.46Å; T336-S338 VanDerWaalsContact C-N 3.25Å; T336-S338 PolarHBondContact O-N 2.78Å
337A54.3Low57.1Low73 Ų7377.3 Ų77.360%0.60345%0.452SS*.Hα-helixtrans-71.8-20.1171.700000112.9Q333 E334 P339Q333-A337 WeakPolarHBondContact O-CB 3.11Å; Q333-A337 PolarHBondContact O-N 3.08Å; E334-A337 PolarHBondContact O-N 3.44Å; A337-P339 VanDerWaalsContact O-CD 3.31Å; A337-P339 WeakPolarHBondContact O-CD 3.25Å
338S47.2Very low57.5Low36 Ų3676.2 Ų76.225%0.25244%0.44SS..  trans-118.183.3-176.1-57.60000111.8E334 I335 T336 G340 L341 T342E334-S338 VanDerWaalsContact O-CB 3.28Å; E334-S338 WeakPolarHBondContact O-CB 3.18Å; E334-S338 PolarHBondContact O-N 3.49Å; E334-S338 PolarHBondContact O-OG 3.19Å; I335-S338 CarbonylContact O-C 3.53Å; I335-S338 PolarHBondContact O-N 2.77Å; T336-S338 VanDerWaalsContact C-N 3.25Å; T336-S338 PolarHBondContact O-N 2.78Å; S338-G340 PolarHBondContact O-N 3.39Å; S338-G340 VanDerWaalsContact O-N 3.1Å; S338-L341 PolarHBondContact O-N 2.94Å; S338-T342 PolarHBondContact O-N 3.25Å
339P56.8Low57.6Low94 Ų9477.9 Ų77.961%0.6146%0.456SS*.Hα-helixtrans-58.4-24.4178.121.7-32.1000113.5A337 T342 E343A337-P339 VanDerWaalsContact O-CD 3.31Å; A337-P339 WeakPolarHBondContact O-CD 3.25Å; P339-T342 WeakPolarHBondContact CA-OG1 3.37Å; P339-T342 PolarHBondContact O-OG1 3.25Å; P339-E343 WeakPolarHBondContact O-CB 3.43Å; P339-E343 PolarHBondContact O-N 3.38Å; P339-E343 VanDerWaalsContact O-N 3.08Å
340G57.2Low57.8Low41 Ų4178.4 Ų78.442%0.42346%0.458SS..Hα-helixtrans-70.8-29.4173.700000114.2S338 I344S338-G340 PolarHBondContact O-N 3.39Å; S338-G340 VanDerWaalsContact O-N 3.1Å; G340-I344 WeakPolarHBondContact O-CB 3.36Å; G340-I344 VanDerWaalsContact O-CD1 3.24Å; G340-I344 WeakPolarHBondContact O-CD1 3.47Å; G340-I344 WeakPolarHBondContact O-CG1 3.5Å; G340-I344 PolarHBondContact O-N 2.86Å
341L62.9Low58.3Low80 Ų8075.9 Ų75.942%0.41944%0.438SS..Hα-helixtrans-79.8-34.4178.6-70.2179.4000112S338 E343 I344 L345S338-L341 PolarHBondContact O-N 2.94Å; L341-E343 VanDerWaalsContact C-N 3.33Å; L341-I344 HydrophobicContact CD2-CD1 4.3Å; L341-I344 PolarHBondContact O-N 3.03Å; L341-L345 WeakPolarHBondContact O-CB 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.04Å; L341-L345 PolarHBondContact O-N 3.31Å
342T60.4Low58.5Low45 Ų4576.4 Ų76.428%0.27644%0.441SS..Hα-helixtrans-65.2-41.4168.847.60000110.5I335 S338 P339 I344 L345 L346I335-T342 HydrophobicContact CG2-CG2 3.36Å; I335-T342 WeakPolarHBondContact O-CG2 3.34Å; S338-T342 PolarHBondContact O-N 3.25Å; P339-T342 WeakPolarHBondContact CA-OG1 3.37Å; P339-T342 PolarHBondContact O-OG1 3.25Å; T342-I344 VanDerWaalsContact C-N 3.33Å; T342-I344 PolarHBondContact O-N 2.78Å; T342-L345 PolarHBondContact O-N 3.34Å; T342-L346 WeakPolarHBondContact O-CB 3.25Å; T342-L346 WeakPolarHBondContact O-CD1 3.4Å; T342-L346 PolarHBondContact O-N 3.42Å
343E51Low59.3Low133 Ų13379.5 Ų79.562%0.62146%0.464SS*.Hα-helixtrans-61.3-39.4173.1-164.9171.7104.100111.9P339 L341 S347P339-E343 WeakPolarHBondContact O-CB 3.43Å; P339-E343 PolarHBondContact O-N 3.38Å; P339-E343 VanDerWaalsContact O-N 3.08Å; L341-E343 VanDerWaalsContact C-N 3.33Å; E343-S347 WeakPolarHBondContact O-CA 3.33Å; E343-S347 WeakPolarHBondContact O-CB 3.39Å; E343-S347 PolarHBondContact O-N 2.91Å; E343-S347 PolarHBondContact O-OG 3.46Å
344I58.6Low59.7Low108 Ų10875 Ų7555%0.55445%0.445SS*.Hα-helixtrans-70.6-35175.6-72.3159.4000112.7G340 L341 T342G340-I344 WeakPolarHBondContact O-CB 3.36Å; G340-I344 VanDerWaalsContact O-CD1 3.24Å; G340-I344 WeakPolarHBondContact O-CD1 3.47Å; G340-I344 WeakPolarHBondContact O-CG1 3.5Å; G340-I344 PolarHBondContact O-N 2.86Å; L341-I344 HydrophobicContact CD2-CD1 4.3Å; L341-I344 PolarHBondContact O-N 3.03Å; T342-I344 VanDerWaalsContact C-N 3.33Å; T342-I344 PolarHBondContact O-N 2.78Å
345L58Low60.5Low53 Ų5370.3 Ų70.328%0.27742%0.424SS..Hα-helixtrans-75.6-30.5177.4-71.8168.9000112.4L341 T342 V354L341-L345 WeakPolarHBondContact O-CB 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.04Å; L341-L345 PolarHBondContact O-N 3.31Å; T342-L345 PolarHBondContact O-N 3.34Å; L345-V354 HydrophobicContact CD2-CG2 4.3Å
346L62.4Low61.2Low86 Ų8673.2 Ų73.245%0.4544%0.44SS..Hα-helixtrans-89.8-29176.7-8479000112.8T342 G348 I351T342-L346 WeakPolarHBondContact O-CB 3.25Å; T342-L346 WeakPolarHBondContact O-CD1 3.4Å; T342-L346 PolarHBondContact O-N 3.42Å; L346-G348 PolarHBondContact O-N 3.17Å; L346-I351 HydrophobicContact CB-CD1 4.42Å; L346-I351 HydrophobicContact CG-CD1 4.37Å
347S59.5Low62Low83 Ų8372.9 Ų72.958%0.5844%0.44SS*.SBendtrans-94.869.6-179.6-490000110E343E343-S347 WeakPolarHBondContact O-CA 3.33Å; E343-S347 WeakPolarHBondContact O-CB 3.39Å; E343-S347 PolarHBondContact O-N 2.91Å; E343-S347 PolarHBondContact O-OG 3.46Å
348G62.6Low62.8Low31 Ų3170.1 Ų70.132%0.3242%0.415SS..SBendtrans164.2-178.3171.600000116.7L346 H350 I351L346-G348 PolarHBondContact O-N 3.17Å; G348-H350 PolarHBondContact O-N 3.06Å; G348-I351 WeakPolarHBondContact O-CG2 3.4Å; G348-I351 PolarHBondContact O-N 3.01Å
349P60.1Low64Low110 Ų11070.9 Ų70.971%0.71442%0.42SS*.THydrogen-bonded Turntrans-63.6-7.6179.526.1-33000113.4I351P349-I351 VanDerWaalsContact C-N 3.3Å
350H60.9Low64.8Low112 Ų11272.4 Ų72.452%0.51942%0.419SS..Hα-helixtrans-75.3-22.2177-60.736.3000111.1G348 N352 C353 V354G348-H350 PolarHBondContact O-N 3.06Å; H350-N352 PolarHBondContact O-N 3.09Å; H350-C353 WeakPolarHBondContact O-CB 3.35Å; H350-C353 PolarHBondContact O-N 3.49Å; H350-V354 WeakPolarHBondContact O-CG2 3.32Å; H350-V354 PolarHBondContact O-N 2.76Å
351I68.5Low65.3Low28 Ų2874.2 Ų74.214%0.14442%0.419CS..Hα-helixtrans-60.8-32.8175.6-155.3165.8000111.2L346 G348 P349 V354 L355 L402 L406L346-I351 HydrophobicContact CB-CD1 4.42Å; L346-I351 HydrophobicContact CG-CD1 4.37Å; G348-I351 WeakPolarHBondContact O-CG2 3.4Å; G348-I351 PolarHBondContact O-N 3.01Å; P349-I351 VanDerWaalsContact C-N 3.3Å; I351-V354 PolarHBondContact O-N 3.49Å; I351-L355 WeakPolarHBondContact O-CA 3.45Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å; I351-L355 PolarHBondContact O-N 2.9Å; I351-L402 HydrophobicContact CD1-CD2 4.08Å; I351-L402 HydrophobicContact CG2-CD2 4.1Å; I351-L406 HydrophobicContact CD1-CD1 4.49Å; I351-L406 HydrophobicContact CD1-CD2 4.32Å
352N67.8Low65.4Low112 Ų11273.4 Ų73.460%0.59942%0.419SS*.Hα-helixtrans-69.2-35175.5-92.3-46.1000112.3H350 N356H350-N352 PolarHBondContact O-N 3.09Å; N352-N356 WeakPolarHBondContact O-CB 3.02Å; N352-N356 PolarHBondContact O-N 3.41Å
353C71.1Confident66.2Low91 Ų9177.9 Ų77.962%0.61544%0.441SS*.Hα-helixtrans-70-46.1174.9-177.80000110.9H350 N356 C357H350-C353 WeakPolarHBondContact O-CB 3.35Å; H350-C353 PolarHBondContact O-N 3.49Å; C353-N356 PolarHBondContact O-N 3.01Å; C353-C357 VanDerWaalsContact O-CB 3.3Å; C353-C357 WeakPolarHBondContact O-CB 3.39Å; C353-C357 PolarHBondContact O-N 3.42Å
354V70.8Confident67.3Low41 Ų4174.5 Ų74.525%0.24842%0.424CS..Hα-helixtrans-63-47.4176.7172.60000110L345 H350 I351 N356 C357 L358L345-V354 HydrophobicContact CD2-CG2 4.3Å; H350-V354 WeakPolarHBondContact O-CG2 3.32Å; H350-V354 PolarHBondContact O-N 2.76Å; I351-V354 PolarHBondContact O-N 3.49Å; V354-N356 VanDerWaalsContact C-N 3.34Å; V354-N356 PolarHBondContact O-N 3.47Å; V354-C357 CarbonylContact O-C 3.53Å; V354-C357 WeakPolarHBondContact O-CB 3.43Å; V354-C357 PolarHBondContact O-N 3.11Å; V354-L358 HydrophobicContact CG1-CD1 3.48Å; V354-L358 VanDerWaalsContact CG1-CD1 3.48Å; V354-L358 WeakPolarHBondContact O-CB 3.46Å; V354-L358 WeakPolarHBondContact O-CD1 3.39Å; V354-L358 PolarHBondContact O-N 3.07Å
355L70.5Confident67.9Low23 Ų2369.3 Ų69.312%0.1240%0.398CS..Hα-helixtrans-62.5-39.1176.7-162.789.3000111.7I351 L358 S359 M396 L402I351-L355 WeakPolarHBondContact O-CA 3.45Å; I351-L355 WeakPolarHBondContact O-CB 3.36Å; I351-L355 PolarHBondContact O-N 2.9Å; L355-L358 PolarHBondContact O-N 2.72Å; L355-S359 VanDerWaalsContact O-CB 3.25Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 3.16Å; L355-S359 PolarHBondContact O-OG 2.72Å; L355-M396 HydrophobicContact CD1-CB 4.12Å; L355-M396 HydrophobicContact CD1-CE 3.84Å; L355-L402 HydrophobicContact CD1-CD1 4.15Å
356N70.4Confident68.3Low89 Ų8967.3 Ų67.348%0.47639%0.389SS..Hα-helixtrans-66-42.8174.7-168.715.7000111N352 C353 V354 S359 Q360N352-N356 WeakPolarHBondContact O-CB 3.02Å; N352-N356 PolarHBondContact O-N 3.41Å; C353-N356 PolarHBondContact O-N 3.01Å; V354-N356 VanDerWaalsContact C-N 3.34Å; V354-N356 PolarHBondContact O-N 3.47Å; N356-S359 PolarHBondContact O-N 3.29Å; N356-S359 PolarHBondContact O-OG 2.83Å; N356-Q360 VanDerWaalsContact O-CG 3.3Å; N356-Q360 WeakPolarHBondContact O-CG 3.45Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.09Å; N356-Q360 PolarHBondContact OD1-NE2 3.49Å
357C71.2Confident68.7Low62 Ų6268.6 Ų68.642%0.41939%0.392SS..Hα-helixtrans-65.3-39.5175.6-163.10000112.5C353 V354 Q360 N361C353-C357 VanDerWaalsContact O-CB 3.3Å; C353-C357 WeakPolarHBondContact O-CB 3.39Å; C353-C357 PolarHBondContact O-N 3.42Å; V354-C357 CarbonylContact O-C 3.53Å; V354-C357 WeakPolarHBondContact O-CB 3.43Å; V354-C357 PolarHBondContact O-N 3.11Å; C357-Q360 PolarHBondContact O-N 3.32Å; C357-N361 PolarHBondContact O-N 3.45Å; C357-N361 PolarHBondContact O-ND2 3.22Å
358L70.1Confident69.1Low14 Ų1466.9 Ų66.97%0.07338%0.376CS..Hα-helixtrans-68.4-37.4173.8-93.581.3000111.7V354 L355 Q360 N361 F364 A365 M368 L393V354-L358 HydrophobicContact CG1-CD1 3.48Å; V354-L358 VanDerWaalsContact CG1-CD1 3.48Å; V354-L358 WeakPolarHBondContact O-CB 3.46Å; V354-L358 WeakPolarHBondContact O-CD1 3.39Å; V354-L358 PolarHBondContact O-N 3.07Å; L355-L358 PolarHBondContact O-N 2.72Å; L358-Q360 VanDerWaalsContact C-N 3.28Å; L358-Q360 PolarHBondContact O-N 3.47Å; L358-N361 CarbonylContact O-C 3.53Å; L358-N361 PolarHBondContact O-N 3.37Å; L358-N361 VanDerWaalsContact O-O 3.07Å; L358-F364 HydrophobicContact CD1-CD1 4.36Å; L358-F364 HydrophobicContact CD1-CE1 4.16Å; L358-F364 HydrophobicContact CG-CD1 4.47Å; L358-A365 HydrophobicContact CB-CB 3.84Å; L358-A365 HydrophobicContact CD2-CB 3.64Å; L358-A365 HydrophobicContact CG-CB 3.7Å; L358-M368 HydrophobicContact CD1-SD 4.4Å; L358-M368 HydrophobicContact CD2-SD 4.45Å; L358-L393 HydrophobicContact CB-CD2 4.26Å
359S72.4Confident69.4Low52 Ų5266.9 Ų66.936%0.36437%0.369SS..Hα-helixtrans-66.6-33.6175.979.50000111.9L355 N356 N361L355-S359 VanDerWaalsContact O-CB 3.25Å; L355-S359 WeakPolarHBondContact O-CB 3.49Å; L355-S359 PolarHBondContact O-N 3.16Å; L355-S359 PolarHBondContact O-OG 2.72Å; N356-S359 PolarHBondContact O-N 3.29Å; N356-S359 PolarHBondContact O-OG 2.83Å; S359-N361 VanDerWaalsContact C-N 3.33Å
360Q73.5Confident69.8Low127 Ų12762.5 Ų62.559%0.59334%0.339SS*.Hα-helixtrans-76.4-20.9174.3-70.6173.14700112.5N356 C357 L358N356-Q360 VanDerWaalsContact O-CG 3.3Å; N356-Q360 WeakPolarHBondContact O-CG 3.45Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.09Å; N356-Q360 PolarHBondContact OD1-NE2 3.49Å; C357-Q360 PolarHBondContact O-N 3.32Å; L358-Q360 VanDerWaalsContact C-N 3.28Å; L358-Q360 PolarHBondContact O-N 3.47Å
361N67.9Low70Confident79 Ų7958.7 Ų58.742%0.42233%0.325SS..  trans-130.679-178.5-63.2-81.6000111.1C357 L358 S359 D363 F364 A365C357-N361 PolarHBondContact O-N 3.45Å; C357-N361 PolarHBondContact O-ND2 3.22Å; L358-N361 CarbonylContact O-C 3.53Å; L358-N361 PolarHBondContact O-N 3.37Å; L358-N361 VanDerWaalsContact O-O 3.07Å; S359-N361 VanDerWaalsContact C-N 3.33Å; N361-D363 VanDerWaalsContact C-N 3.31Å; N361-D363 PolarHBondContact O-N 3.27Å; N361-F364 HydrophobicContact CB-CB 3.88Å; N361-F364 PolarHBondContact O-N 3.26Å; N361-F364 VanDerWaalsContact O-N 3.13Å; N361-A365 PolarHBondContact O-N 2.88Å
362P65.1Low69.7Low63 Ų6361.9 Ų61.941%0.40934%0.339SS..Hα-helixtrans-64.1-32.2-175.825.3-34.5000113.3A365 A366 L393P362-A365 PolarHBondContact O-N 2.93Å; P362-A366 WeakPolarHBondContact O-CB 3.01Å; P362-A366 PolarHBondContact O-N 3.43Å; P362-L393 HydrophobicContact CB-CD1 4.45Å
363D77.6Confident69.1Low138 Ų13861.6 Ų61.674%0.73834%0.343SS*.Hα-helixtrans-66.9-36.7174.3-87.3-74.7000112.4N361 Q367N361-D363 VanDerWaalsContact C-N 3.31Å; N361-D363 PolarHBondContact O-N 3.27Å; D363-Q367 WeakPolarHBondContact O-CB 3.34Å; D363-Q367 PolarHBondContact O-N 2.66Å
364F74.7Confident68.6Low62 Ų6263.6 Ų63.627%0.27235%0.347SS..Hα-helixtrans-72.5-40.5176.2175.9-114.1000111.6L328 L358 N361 A366 Q367 M368L328-F364 HydrophobicContact CD1-CE2 4.46Å; L328-F364 HydrophobicContact CD2-CD2 3.79Å; L328-F364 HydrophobicContact CD2-CE2 3.3Å; L328-F364 HydrophobicContact CD2-CZ 4.26Å; L328-F364 HydrophobicContact CG-CE2 4.37Å; L358-F364 HydrophobicContact CD1-CD1 4.36Å; L358-F364 HydrophobicContact CD1-CE1 4.16Å; L358-F364 HydrophobicContact CG-CD1 4.47Å; N361-F364 HydrophobicContact CB-CB 3.88Å; N361-F364 PolarHBondContact O-N 3.26Å; N361-F364 VanDerWaalsContact O-N 3.13Å; F364-A366 VanDerWaalsContact C-N 3.32Å; F364-A366 PolarHBondContact O-N 3.34Å; F364-Q367 WeakPolarHBondContact O-CB 3.35Å; F364-Q367 PolarHBondContact O-N 3.42Å; F364-M368 WeakPolarHBondContact O-CB 3.45Å; F364-M368 PolarHBondContact O-N 3.04Å
365A70.9Confident68.3Low0 Ų063 Ų630%034%0.343CS..Hα-helixtrans-59.8-43.7172.500000111.7L358 N361 P362 M368 L369 L393L358-A365 HydrophobicContact CB-CB 3.84Å; L358-A365 HydrophobicContact CD2-CB 3.64Å; L358-A365 HydrophobicContact CG-CB 3.7Å; N361-A365 PolarHBondContact O-N 2.88Å; P362-A365 PolarHBondContact O-N 2.93Å; A365-M368 PolarHBondContact O-N 2.96Å; A365-L369 WeakPolarHBondContact O-CB 3.18Å; A365-L369 WeakPolarHBondContact O-CD1 3.34Å; A365-L369 PolarHBondContact O-N 3.1Å; A365-L393 HydrophobicContact CB-CD1 3.73Å; A365-L393 HydrophobicContact CB-CD2 4.04Å; A365-L393 HydrophobicContact CB-CG 4.4Å
366A67.2Low67.9Low11 Ų1165.6 Ų65.69%0.09136%0.363CS..Hα-helixtrans-59.6-47.9173.100000110.6P362 F364 M368 L369 L370 I389P362-A366 WeakPolarHBondContact O-CB 3.01Å; P362-A366 PolarHBondContact O-N 3.43Å; F364-A366 VanDerWaalsContact C-N 3.32Å; F364-A366 PolarHBondContact O-N 3.34Å; A366-M368 VanDerWaalsContact C-N 3.3Å; A366-M368 PolarHBondContact O-N 3.08Å; A366-L369 PolarHBondContact O-N 3.03Å; A366-L370 HydrophobicContact CB-CD1 4.37Å; A366-L370 WeakPolarHBondContact O-CB 3.37Å; A366-L370 WeakPolarHBondContact O-CG 2.91Å; A366-L370 PolarHBondContact O-N 2.95Å; A366-I389 HydrophobicContact CB-CD1 3.74Å; A366-I389 HydrophobicContact CB-CG2 4.3Å
367Q69.9Low67.5Low112 Ų11265.1 Ų65.152%0.52338%0.378SS..Hα-helixtrans-59.4-40.5177.8-164.36639.100112.3L332 D363 F364 S371L332-Q367 HydrophobicContact CD1-CG 4.43Å; D363-Q367 WeakPolarHBondContact O-CB 3.34Å; D363-Q367 PolarHBondContact O-N 2.66Å; F364-Q367 WeakPolarHBondContact O-CB 3.35Å; F364-Q367 PolarHBondContact O-N 3.42Å; Q367-S371 WeakPolarHBondContact O-CB 3.09Å; Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 PolarHBondContact O-OG 3.23Å
368M67.5Low67.3Low48 Ų4866 Ų6624%0.23638%0.379CS..Hα-helixtrans-71.1-47.6-179.6-166.4174-164.600112.3I335 L358 F364 A365 A366 S371 H372I335-M368 HydrophobicContact CG2-CE 4.37Å; L358-M368 HydrophobicContact CD1-SD 4.4Å; L358-M368 HydrophobicContact CD2-SD 4.45Å; F364-M368 WeakPolarHBondContact O-CB 3.45Å; F364-M368 PolarHBondContact O-N 3.04Å; A365-M368 PolarHBondContact O-N 2.96Å; A366-M368 VanDerWaalsContact C-N 3.3Å; A366-M368 PolarHBondContact O-N 3.08Å; M368-S371 WeakPolarHBondContact CA-OG 3.4Å; M368-S371 PolarHBondContact O-N 3.49Å; M368-S371 PolarHBondContact O-OG 3.47Å; M368-H372 PolarHBondContact O-N 3.09Å
369L69.7Low67.4Low31 Ų3170.5 Ų70.516%0.16241%0.407CS..Hα-helixtrans-63.6-43.1176.1-95.7122.8000111.7A365 A366 S371 H372 L375 M385 F392A365-L369 WeakPolarHBondContact O-CB 3.18Å; A365-L369 WeakPolarHBondContact O-CD1 3.34Å; A365-L369 PolarHBondContact O-N 3.1Å; A366-L369 PolarHBondContact O-N 3.03Å; L369-S371 VanDerWaalsContact C-N 3.27Å; L369-S371 PolarHBondContact O-N 3.38Å; L369-H372 WeakPolarHBondContact O-CB 3.32Å; L369-H372 PolarHBondContact O-N 3.2Å; L369-H372 VanDerWaalsContact O-N 3.11Å; L369-L375 VanDerWaalsContact O-CD1 3.31Å; L369-L375 WeakPolarHBondContact O-CD1 3.36Å; L369-M385 HydrophobicContact CD2-CE 4.03Å; L369-M385 HydrophobicContact CD2-SD 4.46Å; L369-F392 HydrophobicContact CD1-CD1 4.43Å; L369-F392 HydrophobicContact CD1-CE1 4.25Å; L369-F392 HydrophobicContact CD2-CD1 4.22Å; L369-F392 HydrophobicContact CD2-CE1 3.7Å; L369-F392 HydrophobicContact CD2-CZ 4.47Å
370L68.7Low67.6Low17 Ų1776 Ų769%0.08943%0.427CS..Hα-helixtrans-74.6-20.5-179.2-62.8179.5000112.5A366 H372 Q382 M385 R386 I389A366-L370 HydrophobicContact CB-CD1 4.37Å; A366-L370 WeakPolarHBondContact O-CB 3.37Å; A366-L370 WeakPolarHBondContact O-CG 2.91Å; A366-L370 PolarHBondContact O-N 2.95Å; L370-H372 VanDerWaalsContact C-N 3.26Å; L370-Q382 HydrophobicContact CB-CG 4.11Å; L370-Q382 HydrophobicContact CD1-CG 3.86Å; L370-Q382 HydrophobicContact CD2-CB 4.11Å; L370-Q382 HydrophobicContact CD2-CG 3.66Å; L370-Q382 HydrophobicContact CG-CG 4.03Å; L370-Q382 PolarHBondContact O-NE2 2.74Å; L370-M385 HydrophobicContact CD2-CB 3.99Å; L370-R386 HydrophobicContact CD1-CB 4.25Å; L370-R386 HydrophobicContact CD1-CG 4.36Å; L370-I389 HydrophobicContact CD1-CD1 4.38Å; L370-I389 HydrophobicContact CD2-CD1 4.23Å; L370-I389 HydrophobicContact CG-CD1 4.15Å
371S64.6Low67.4Low32 Ų3272.8 Ų72.822%0.22441%0.413CS..THydrogen-bonded Turntrans-77.9-8.1169.372.90000113.7Q367 M368 L369Q367-S371 WeakPolarHBondContact O-CB 3.09Å; Q367-S371 PolarHBondContact O-N 2.83Å; Q367-S371 PolarHBondContact O-OG 3.23Å; M368-S371 WeakPolarHBondContact CA-OG 3.4Å; M368-S371 PolarHBondContact O-N 3.49Å; M368-S371 PolarHBondContact O-OG 3.47Å; L369-S371 VanDerWaalsContact C-N 3.27Å; L369-S371 PolarHBondContact O-N 3.38Å
372H62Low67.4Low95 Ų9571.7 Ų71.744%0.4441%0.406SS..SBendtrans-61.5128.9178.3-155.6-92.3000109.4M368 L369 L370 L374 L375 S376M368-H372 PolarHBondContact O-N 3.09Å; L369-H372 WeakPolarHBondContact O-CB 3.32Å; L369-H372 PolarHBondContact O-N 3.2Å; L369-H372 VanDerWaalsContact O-N 3.11Å; L370-H372 VanDerWaalsContact C-N 3.26Å; H372-L374 PolarHBondContact O-N 2.92Å; H372-L375 HydrophobicContact CB-CD1 4.36Å; H372-L375 PolarHBondContact O-N 2.86Å; H372-S376 PolarHBondContact O-N 3.18Å; H372-S376 VanDerWaalsContact O-N 3.13Å
373P55.2Low67.9Low107 Ų10772.7 Ų72.770%0.69541%0.405SS*.THydrogen-bonded Turntrans-61.1-18-174.319.3-30.2000113.6L375P373-L375 VanDerWaalsContact C-N 3.35Å
374L59.8Low67.4Low133 Ų13372.2 Ų72.270%0.69640%0.398SS*.THydrogen-bonded Turntrans-73.1-22.3172.3-60.9177.6000113.9H372H372-L374 PolarHBondContact O-N 2.92Å
375L66.1Low66.9Low29 Ų2970.8 Ų70.815%0.15239%0.393CS..THydrogen-bonded Turntrans-111.2-22.9-172.8-65.1171.5000112.8L369 H372 P373 G377 N378 L381 M385L369-L375 VanDerWaalsContact O-CD1 3.31Å; L369-L375 WeakPolarHBondContact O-CD1 3.36Å; H372-L375 HydrophobicContact CB-CD1 4.36Å; H372-L375 PolarHBondContact O-N 2.86Å; P373-L375 VanDerWaalsContact C-N 3.35Å; L375-G377 PolarHBondContact O-N 3.04Å; L375-N378 PolarHBondContact O-N 3.27Å; L375-N378 VanDerWaalsContact O-N 3.13Å; L375-L381 HydrophobicContact CD2-CD2 3.72Å; L375-L381 HydrophobicContact CD2-CG 4.34Å; L375-M385 HydrophobicContact CD1-SD 3.84Å; L375-M385 HydrophobicContact CD2-SD 4.44Å
376S60.6Low67.1Low77 Ų7777.2 Ų77.254%0.53842%0.417SS..THydrogen-bonded Turntrans-58.6-28.2177.7-178.20000113.8H372 N378H372-S376 PolarHBondContact O-N 3.18Å; H372-S376 VanDerWaalsContact O-N 3.13Å; S376-N378 VanDerWaalsContact C-N 3.29Å; S376-N378 PolarHBondContact O-N 3.05Å
377G62Low67.5Low78 Ų7883 Ų8380%0.80444%0.442SS*.THydrogen-bonded Turntrans-75.8-8.4178.500000115.4L375L375-G377 PolarHBondContact O-N 3.04Å
378N67.9Low67.3Low81 Ų8181.7 Ų81.743%0.43344%0.436SS..  trans-13286.8-172.1-158.4-48.3000111.8L375 S376 Q380 L381 Q382L375-N378 PolarHBondContact O-N 3.27Å; L375-N378 VanDerWaalsContact O-N 3.13Å; S376-N378 VanDerWaalsContact C-N 3.29Å; S376-N378 PolarHBondContact O-N 3.05Å; N378-Q380 VanDerWaalsContact C-N 3.27Å; N378-Q380 PolarHBondContact O-N 2.89Å; N378-L381 HydrophobicContact CB-CB 3.91Å; N378-L381 PolarHBondContact O-N 3.46Å; N378-L381 VanDerWaalsContact O-N 3.15Å; N378-L381 WeakPolarHBondContact OD1-CB 3.16Å; N378-L381 PolarHBondContact OD1-N 3.02Å; N378-L381 VanDerWaalsContact OD1-N 3.1Å; N378-Q382 WeakPolarHBondContact O-CB 3.44Å; N378-Q382 PolarHBondContact O-N 2.96Å
379V72.6Confident67.4Low108 Ų10879.6 Ų79.666%0.65543%0.425SS*.Hα-helixtrans-59-33-178170.50000112.9E383V379-E383 PolarHBondContact O-N 3Å
380Q75.9Confident67.6Low168 Ų16881.8 Ų81.879%0.78544%0.441SS*.Hα-helixtrans-71.4-41.6176.2-88.3170.61.200112.1N378 Q382 E383 Q384N378-Q380 VanDerWaalsContact C-N 3.27Å; N378-Q380 PolarHBondContact O-N 2.89Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å; Q380-E383 PolarHBondContact O-N 3.17Å; Q380-Q384 PolarHBondContact O-N 3.39Å; Q380-Q384 VanDerWaalsContact O-N 3.08Å
381L69.6Low67.9Low60 Ų6085.2 Ų85.231%0.31446%0.459SS..Hα-helixtrans-68.7-33175.1-172.963.8000111.8L375 N378 Q384 M385L375-L381 HydrophobicContact CD2-CD2 3.72Å; L375-L381 HydrophobicContact CD2-CG 4.34Å; N378-L381 HydrophobicContact CB-CB 3.91Å; N378-L381 PolarHBondContact O-N 3.46Å; N378-L381 VanDerWaalsContact O-N 3.15Å; N378-L381 WeakPolarHBondContact OD1-CB 3.16Å; N378-L381 PolarHBondContact OD1-N 3.02Å; N378-L381 VanDerWaalsContact OD1-N 3.1Å; L381-Q384 PolarHBondContact O-N 2.91Å; L381-M385 WeakPolarHBondContact O-CB 3.45Å; L381-M385 PolarHBondContact O-N 2.84Å
382Q68.7Low68.2Low56 Ų5685 Ų8526%0.26245%0.454SS..Hα-helixtrans-62.1-44.3174.7174.1167.677.500111.4L370 N378 Q380 R386L370-Q382 HydrophobicContact CB-CG 4.11Å; L370-Q382 HydrophobicContact CD1-CG 3.86Å; L370-Q382 HydrophobicContact CD2-CB 4.11Å; L370-Q382 HydrophobicContact CD2-CG 3.66Å; L370-Q382 HydrophobicContact CG-CG 4.03Å; L370-Q382 PolarHBondContact O-NE2 2.74Å; N378-Q382 WeakPolarHBondContact O-CB 3.44Å; N378-Q382 PolarHBondContact O-N 2.96Å; Q380-Q382 VanDerWaalsContact C-N 3.31Å; Q382-R386 WeakPolarHBondContact O-CB 3.37Å; Q382-R386 PolarHBondContact O-N 2.86Å
383E74.3Confident68.7Low84 Ų8481.1 Ų81.139%0.39344%0.437SS..Hα-helixtrans-70.4-36.4176.7-162.861.2-14700112.2V379 Q380 R386 Q387V379-E383 PolarHBondContact O-N 3Å; Q380-E383 PolarHBondContact O-N 3.17Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.12Å; E383-R386 IonicContact OE1-CZ 2.99Å; E383-R386 IonicContact OE1-NE 3.57Å; E383-R386 PolarHBondContact OE1-NE 3.47Å; E383-R386 IonicContact OE1-NH2 3.21Å; E383-R386 PolarHBondContact OE1-NH2 3.36Å; E383-R386 IonicContact OE2-NE 2.73Å; E383-Q387 PolarHBondContact O-N 2.89Å
384Q68.6Low69.4Low127 Ų12783.1 Ų83.159%0.59344%0.435SS*.Hα-helixtrans-66.2-44.1174.1-176-175.6-31.700111.8Q380 L381 R386 Q387 H388Q380-Q384 PolarHBondContact O-N 3.39Å; Q380-Q384 VanDerWaalsContact O-N 3.08Å; L381-Q384 PolarHBondContact O-N 2.91Å; Q384-R386 VanDerWaalsContact C-N 3.32Å; Q384-R386 PolarHBondContact O-N 3Å; Q384-Q387 PolarHBondContact O-N 3.04Å; Q384-H388 PolarHBondContact O-N 3.02Å; Q384-H388 VanDerWaalsContact O-N 3.12Å
385M63.8Low69.6Low32 Ų3280.6 Ų80.616%0.15842%0.42CS..Hα-helixtrans-65.2-37174.4-89.9-137.984.700111.1L369 L370 L375 L381 Q387 H388 I389 F392L369-M385 HydrophobicContact CD2-CE 4.03Å; L369-M385 HydrophobicContact CD2-SD 4.46Å; L370-M385 HydrophobicContact CD2-CB 3.99Å; L375-M385 HydrophobicContact CD1-SD 3.84Å; L375-M385 HydrophobicContact CD2-SD 4.44Å; L381-M385 WeakPolarHBondContact O-CB 3.45Å; L381-M385 PolarHBondContact O-N 2.84Å; M385-Q387 PolarHBondContact O-N 3.14Å; M385-H388 CarbonylContact O-C 3.56Å; M385-H388 PolarHBondContact O-N 2.91Å; M385-I389 HydrophobicContact CB-CD1 4.46Å; M385-I389 HydrophobicContact CE-CG1 4.44Å; M385-I389 WeakPolarHBondContact O-CB 3.24Å; M385-I389 WeakPolarHBondContact O-CD1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.15Å; M385-I389 PolarHBondContact O-N 3.21Å; M385-F392 HydrophobicContact CE-CD1 4.38Å; M385-F392 HydrophobicContact CE-CG 4.36Å
386R75Confident69.3Low135 Ų13580.4 Ų80.451%0.50942%0.418SS..Hα-helixtrans-55-37.4176-163176.177.2111.4-1.2112L370 Q382 E383 Q384L370-R386 HydrophobicContact CD1-CB 4.25Å; L370-R386 HydrophobicContact CD1-CG 4.36Å; Q382-R386 WeakPolarHBondContact O-CB 3.37Å; Q382-R386 PolarHBondContact O-N 2.86Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.12Å; E383-R386 IonicContact OE1-CZ 2.99Å; E383-R386 IonicContact OE1-NE 3.57Å; E383-R386 PolarHBondContact OE1-NE 3.47Å; E383-R386 IonicContact OE1-NH2 3.21Å; E383-R386 PolarHBondContact OE1-NH2 3.36Å; E383-R386 IonicContact OE2-NE 2.73Å; Q384-R386 VanDerWaalsContact C-N 3.32Å; Q384-R386 PolarHBondContact O-N 3Å
387Q74.5Confident69.6Low132 Ų13283.3 Ų83.362%0.61742%0.423SS*.Hα-helixtrans-78.1-29.6175.8-62.9-174.511.500113.3E383 Q384 M385 P390E383-Q387 PolarHBondContact O-N 2.89Å; Q384-Q387 PolarHBondContact O-N 3.04Å; M385-Q387 PolarHBondContact O-N 3.14Å; Q387-P390 WeakPolarHBondContact O-CD 3.3Å
388H66.5Low69.6Low86 Ų8683.9 Ų83.940%0.39841%0.408SS..Hα-helixtrans-89.4-14.8-179.9-164.9-108.9000113.7Q384 M385 P390 L391 F392Q384-H388 PolarHBondContact O-N 3.02Å; Q384-H388 VanDerWaalsContact O-N 3.12Å; M385-H388 CarbonylContact O-C 3.56Å; M385-H388 PolarHBondContact O-N 2.91Å; H388-P390 VanDerWaalsContact C-CD 3.45Å; H388-L391 CarbonylContact O-C 3.51Å; H388-L391 PolarHBondContact O-N 2.98Å; H388-L391 VanDerWaalsContact O-N 3.09Å; H388-F392 WeakPolarHBondContact O-CB 3.13Å; H388-F392 PolarHBondContact O-N 3.16Å
389I69.6Low69.7Low3 Ų382.3 Ų82.32%0.01541%0.411CS..Hα-helixtrans-55.1-42-179.1-87.1153.7000113.4A366 L370 M385 L391 F392 L393A366-I389 HydrophobicContact CB-CD1 3.74Å; A366-I389 HydrophobicContact CB-CG2 4.3Å; L370-I389 HydrophobicContact CD1-CD1 4.38Å; L370-I389 HydrophobicContact CD2-CD1 4.23Å; L370-I389 HydrophobicContact CG-CD1 4.15Å; M385-I389 HydrophobicContact CB-CD1 4.46Å; M385-I389 HydrophobicContact CE-CG1 4.44Å; M385-I389 WeakPolarHBondContact O-CB 3.24Å; M385-I389 WeakPolarHBondContact O-CD1 3.28Å; M385-I389 WeakPolarHBondContact O-CG1 3.15Å; M385-I389 PolarHBondContact O-N 3.21Å; I389-L391 VanDerWaalsContact C-N 3.3Å; I389-L391 PolarHBondContact O-N 3.09Å; I389-F392 PolarHBondContact O-N 3.29Å; I389-L393 HydrophobicContact CG2-CD1 3.81Å; I389-L393 HydrophobicContact CG2-CG 4.29Å; I389-L393 WeakPolarHBondContact O-CB 3.3Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.07Å
390P72.7Confident69.4Low77 Ų7785 Ų8550%0.542%0.416SS..Hα-helixtrans-63-38177.3-20.731.8000112.4Q387 H388 K394Q387-P390 WeakPolarHBondContact O-CD 3.3Å; H388-P390 VanDerWaalsContact C-CD 3.45Å; P390-K394 WeakPolarHBondContact O-CB 3.39Å; P390-K394 PolarHBondContact O-N 2.87Å
391L76.6Confident69Low89 Ų8979.4 Ų79.447%0.46639%0.392SS..Hα-helixtrans-73.4-39.3175.1-65.7178.4000111.2H388 I389 K394 Q395H388-L391 CarbonylContact O-C 3.51Å; H388-L391 PolarHBondContact O-N 2.98Å; H388-L391 VanDerWaalsContact O-N 3.09Å; I389-L391 VanDerWaalsContact C-N 3.3Å; I389-L391 PolarHBondContact O-N 3.09Å; L391-K394 CarbonylContact O-C 3.59Å; L391-K394 WeakPolarHBondContact O-CB 3.42Å; L391-K394 PolarHBondContact O-N 3.3Å; L391-Q395 VanDerWaalsContact O-CB 3.24Å; L391-Q395 WeakPolarHBondContact O-CB 3.47Å; L391-Q395 PolarHBondContact O-N 3.2Å
392F71.3Confident68.8Low27 Ų2777.6 Ų77.612%0.11838%0.382CS..Hα-helixtrans-66.2-40.9177.8179.3-103.9000112.6L369 M385 H388 I389 K394 Q395 M396 M405L369-F392 HydrophobicContact CD1-CD1 4.43Å; L369-F392 HydrophobicContact CD1-CE1 4.25Å; L369-F392 HydrophobicContact CD2-CD1 4.22Å; L369-F392 HydrophobicContact CD2-CE1 3.7Å; L369-F392 HydrophobicContact CD2-CZ 4.47Å; M385-F392 HydrophobicContact CE-CD1 4.38Å; M385-F392 HydrophobicContact CE-CG 4.36Å; H388-F392 WeakPolarHBondContact O-CB 3.13Å; H388-F392 PolarHBondContact O-N 3.16Å; I389-F392 PolarHBondContact O-N 3.29Å; F392-K394 VanDerWaalsContact C-N 3.32Å; F392-Q395 CarbonylContact O-C 3.53Å; F392-Q395 WeakPolarHBondContact O-CB 3.27Å; F392-Q395 PolarHBondContact O-N 2.78Å; F392-M396 HydrophobicContact CD1-CE 4.26Å; F392-M396 HydrophobicContact CD1-CG 4.25Å; F392-M396 HydrophobicContact CD2-CG 4.46Å; F392-M396 HydrophobicContact CE1-CE 3.49Å; F392-M396 VanDerWaalsContact CE1-CE 3.49Å; F392-M396 HydrophobicContact CE1-CG 3.79Å; F392-M396 HydrophobicContact CE1-SD 3.71Å; F392-M396 HydrophobicContact CE2-CG 4.01Å; F392-M396 HydrophobicContact CE2-SD 4.45Å; F392-M396 HydrophobicContact CZ-CE 4.03Å; F392-M396 HydrophobicContact CZ-CG 3.65Å; F392-M396 HydrophobicContact CZ-SD 3.59Å; F392-M396 VanDerWaalsContact CZ-SD 3.59Å; F392-M396 WeakPolarHBondContact O-CB 3.39Å; F392-M396 WeakPolarHBondContact O-CG 3.44Å; F392-M396 PolarHBondContact O-N 2.93Å; F392-M405 HydrophobicContact CE2-SD 4.36Å; F392-M405 HydrophobicContact CZ-CE 4.25Å; F392-M405 HydrophobicContact CZ-SD 3.87Å
393L71.4Confident68.6Low15 Ų1578.6 Ų78.68%0.07940%0.395CS..Hα-helixtrans-63.1-41.9173.2-77.6168.5000110.9L358 P362 A365 I389 Q395 M396 Q397L358-L393 HydrophobicContact CB-CD2 4.26Å; P362-L393 HydrophobicContact CB-CD1 4.45Å; A365-L393 HydrophobicContact CB-CD1 3.73Å; A365-L393 HydrophobicContact CB-CD2 4.04Å; A365-L393 HydrophobicContact CB-CG 4.4Å; I389-L393 HydrophobicContact CG2-CD1 3.81Å; I389-L393 HydrophobicContact CG2-CG 4.29Å; I389-L393 WeakPolarHBondContact O-CB 3.3Å; I389-L393 WeakPolarHBondContact O-CG 3.48Å; I389-L393 PolarHBondContact O-N 3.07Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 2.88Å; L393-M396 PolarHBondContact O-N 3.2Å; L393-Q397 PolarHBondContact O-N 2.83Å
394K70.1Confident68.1Low149 Ų14980.2 Ų80.265%0.64840%0.404SS*.Hα-helixtrans-66-32.6174.1-171.4167.9179.8170.40112.3P390 L391 F392 Q397P390-K394 WeakPolarHBondContact O-CB 3.39Å; P390-K394 PolarHBondContact O-N 2.87Å; L391-K394 CarbonylContact O-C 3.59Å; L391-K394 WeakPolarHBondContact O-CB 3.42Å; L391-K394 PolarHBondContact O-N 3.3Å; F392-K394 VanDerWaalsContact C-N 3.32Å; K394-Q397 WeakPolarHBondContact O-CB 3.48Å
395Q64Low67.6Low80 Ų8078.7 Ų78.737%0.37440%0.398SS..Hα-helixtrans-76.2-38.7176.7-167.499.421.700111.5L391 F392 L393 Q397 N398 L401L391-Q395 VanDerWaalsContact O-CB 3.24Å; L391-Q395 WeakPolarHBondContact O-CB 3.47Å; L391-Q395 PolarHBondContact O-N 3.2Å; F392-Q395 CarbonylContact O-C 3.53Å; F392-Q395 WeakPolarHBondContact O-CB 3.27Å; F392-Q395 PolarHBondContact O-N 2.78Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 2.88Å; Q395-Q397 VanDerWaalsContact C-N 3.26Å; Q395-Q397 PolarHBondContact O-N 2.87Å; Q395-N398 WeakPolarHBondContact O-CB 3.21Å; Q395-N398 PolarHBondContact O-N 2.74Å; Q395-N398 PolarHBondContact O-ND2 3.43Å; Q395-N398 VanDerWaalsContact O-ND2 3.1Å; Q395-L401 HydrophobicContact CB-CD2 4Å; Q395-L401 HydrophobicContact CG-CD2 3.17Å
396M59.1Low67.8Low25 Ų2581.1 Ų81.112%0.12341%0.411CS..Hα-helixtrans-70.7-20.9175.2-79.1-136.8-65.200113L355 F392 L393 N398 L402 M405L355-M396 HydrophobicContact CD1-CB 4.12Å; L355-M396 HydrophobicContact CD1-CE 3.84Å; F392-M396 HydrophobicContact CD1-CE 4.26Å; F392-M396 HydrophobicContact CD1-CG 4.25Å; F392-M396 HydrophobicContact CD2-CG 4.46Å; F392-M396 HydrophobicContact CE1-CE 3.49Å; F392-M396 VanDerWaalsContact CE1-CE 3.49Å; F392-M396 HydrophobicContact CE1-CG 3.79Å; F392-M396 HydrophobicContact CE1-SD 3.71Å; F392-M396 HydrophobicContact CE2-CG 4.01Å; F392-M396 HydrophobicContact CE2-SD 4.45Å; F392-M396 HydrophobicContact CZ-CE 4.03Å; F392-M396 HydrophobicContact CZ-CG 3.65Å; F392-M396 HydrophobicContact CZ-SD 3.59Å; F392-M396 VanDerWaalsContact CZ-SD 3.59Å; F392-M396 WeakPolarHBondContact O-CB 3.39Å; F392-M396 WeakPolarHBondContact O-CG 3.44Å; F392-M396 PolarHBondContact O-N 2.93Å; L393-M396 PolarHBondContact O-N 3.2Å; M396-N398 PolarHBondContact O-N 3.34Å; M396-L402 HydrophobicContact CB-CD1 4.12Å; M396-L402 HydrophobicContact CG-CD1 4.4Å; M396-L402 HydrophobicContact SD-CD1 3.82Å; M396-M405 HydrophobicContact SD-SD 4.13Å
397Q66.7Low67.3Low138 Ų13878.2 Ų78.265%0.64541%0.406SS*.THydrogen-bonded Turntrans-60.4-20.3165.5-168.3174.684.100111.8L393 K394 Q395 G399L393-Q397 PolarHBondContact O-N 2.83Å; K394-Q397 WeakPolarHBondContact O-CB 3.48Å; Q395-Q397 VanDerWaalsContact C-N 3.26Å; Q395-Q397 PolarHBondContact O-N 2.87Å; Q397-G399 PolarHBondContact O-N 2.84Å
398N63.5Low67.1Low89 Ų8976.3 Ų76.348%0.47641%0.405SS..SBendtrans-75.7109.7166.2-60.6-65.2000109.8Q395 M396 E400 L401 L402Q395-N398 WeakPolarHBondContact O-CB 3.21Å; Q395-N398 PolarHBondContact O-N 2.74Å; Q395-N398 PolarHBondContact O-ND2 3.43Å; Q395-N398 VanDerWaalsContact O-ND2 3.1Å; M396-N398 PolarHBondContact O-N 3.34Å; N398-E400 PolarHBondContact O-N 2.98Å; N398-L401 PolarHBondContact O-N 3.46Å; N398-L402 PolarHBondContact O-N 3.05Å
399G69.4Low67.6Low49 Ų4981.9 Ų81.951%0.50542%0.423SS..Hα-helixtrans-57.2-21.1178.900000114.9Q397 S403Q397-G399 PolarHBondContact O-N 2.84Å; G399-S403 WeakPolarHBondContact O-CB 3.26Å; G399-S403 PolarHBondContact O-N 2.8Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.8Å
400E65.8Low67.6Low163 Ų16383 Ų8376%0.76243%0.433SS*.Hα-helixtrans-73-40.1175.3-121.5-175.4104.700112.9N398 S403 M404N398-E400 PolarHBondContact O-N 2.98Å; E400-S403 PolarHBondContact O-N 3.27Å; E400-M404 PolarHBondContact O-N 3.34Å; E400-M404 VanDerWaalsContact O-N 3.07Å
401L68.4Low67.2Low52 Ų5284 Ų8427%0.27243%0.432SS..Hα-helixtrans-70.8-38.8175.7179.265.5000110.9Q395 N398 S403 M404 M405Q395-L401 HydrophobicContact CB-CD2 4Å; Q395-L401 HydrophobicContact CG-CD2 3.17Å; N398-L401 PolarHBondContact O-N 3.46Å; L401-S403 VanDerWaalsContact C-N 3.25Å; L401-S403 PolarHBondContact O-N 3.21Å; L401-M404 PolarHBondContact O-N 3.17Å; L401-M405 WeakPolarHBondContact O-CB 3.4Å; L401-M405 PolarHBondContact O-N 3.37Å
402L64.6Low67.2Low22 Ų2286.5 Ų86.512%0.11544%0.441CS..Hα-helixtrans-57.8-44.6174.4-151.695.5000109.6I351 L355 M396 N398 M404 M405 L406I351-L402 HydrophobicContact CD1-CD2 4.08Å; I351-L402 HydrophobicContact CG2-CD2 4.1Å; L355-L402 HydrophobicContact CD1-CD1 4.15Å; M396-L402 HydrophobicContact CB-CD1 4.12Å; M396-L402 HydrophobicContact CG-CD1 4.4Å; M396-L402 HydrophobicContact SD-CD1 3.82Å; N398-L402 PolarHBondContact O-N 3.05Å; L402-M404 VanDerWaalsContact C-N 3.33Å; L402-M404 PolarHBondContact O-N 3.37Å; L402-M405 PolarHBondContact O-N 3.4Å; L402-L406 HydrophobicContact CB-CD1 4.29Å; L402-L406 HydrophobicContact CD2-CD1 3.57Å; L402-L406 HydrophobicContact CG-CD1 3.7Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 WeakPolarHBondContact O-CD1 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.26Å; L402-L406 PolarHBondContact O-N 3.06Å
403S64.3Low67.2Low77 Ų7787.2 Ų87.254%0.53845%0.452SS..Hα-helixtrans-64.5-33.9177.7-61.20000113.4G399 E400 L401 N407G399-S403 WeakPolarHBondContact O-CB 3.26Å; G399-S403 PolarHBondContact O-N 2.8Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.8Å; E400-S403 PolarHBondContact O-N 3.27Å; L401-S403 VanDerWaalsContact C-N 3.25Å; L401-S403 PolarHBondContact O-N 3.21Å; S403-N407 WeakPolarHBondContact O-CB 3.38Å; S403-N407 PolarHBondContact O-N 3.21Å
404M64.5Low67Low117 Ų11791.8 Ų91.858%0.57648%0.476SS*.Hα-helixtrans-71-38.7173.2-174-175.8-67.500111.7E400 L401 L402 N407 A410E400-M404 PolarHBondContact O-N 3.34Å; E400-M404 VanDerWaalsContact O-N 3.07Å; L401-M404 PolarHBondContact O-N 3.17Å; L402-M404 VanDerWaalsContact C-N 3.33Å; L402-M404 PolarHBondContact O-N 3.37Å; M404-N407 WeakPolarHBondContact O-CB 3.4Å; M404-N407 PolarHBondContact O-N 3Å; M404-A410 HydrophobicContact CG-CB 3.96Å; M404-A410 VanDerWaalsContact O-CB 3.28Å; M404-A410 WeakPolarHBondContact O-CB 3.45Å
405M58.3Low67.1Low95 Ų9589.6 Ų89.647%0.46847%0.471SS..Hα-helixtrans-76.8-31.2179.8-161.6177.5160.700112.5F392 M396 L401 L402 N407F392-M405 HydrophobicContact CE2-SD 4.36Å; F392-M405 HydrophobicContact CZ-CE 4.25Å; F392-M405 HydrophobicContact CZ-SD 3.87Å; M396-M405 HydrophobicContact SD-SD 4.13Å; L401-M405 WeakPolarHBondContact O-CB 3.4Å; L401-M405 PolarHBondContact O-N 3.37Å; L402-M405 PolarHBondContact O-N 3.4Å; M405-N407 PolarHBondContact O-N 3.3Å
406L67.9Low67.8Low83 Ų8393 Ų9344%0.43549%0.486SS..SBendtrans-73.6-12.7170.8-75.7155.9000112.5I351 L402 P408I351-L406 HydrophobicContact CD1-CD1 4.49Å; I351-L406 HydrophobicContact CD1-CD2 4.32Å; L402-L406 HydrophobicContact CB-CD1 4.29Å; L402-L406 HydrophobicContact CD2-CD1 3.57Å; L402-L406 HydrophobicContact CG-CD1 3.7Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 WeakPolarHBondContact O-CD1 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.26Å; L402-L406 PolarHBondContact O-N 3.06Å; L406-P408 WeakPolarHBondContact O-CD 3.38Å
407N64.6Low68.3Low75 Ų7596.3 Ų96.340%0.40150%0.504SS..  trans-84.3107174.7-176.6-11.6000109.1S403 M404 M405 R409 A410 M411S403-N407 WeakPolarHBondContact O-CB 3.38Å; S403-N407 PolarHBondContact O-N 3.21Å; M404-N407 WeakPolarHBondContact O-CB 3.4Å; M404-N407 PolarHBondContact O-N 3Å; M405-N407 PolarHBondContact O-N 3.3Å; N407-R409 PolarHBondContact O-N 3.15Å; N407-R409 VanDerWaalsContact O-N 3.15Å; N407-R409 WeakPolarHBondContact OD1-CB 3.36Å; N407-R409 PolarHBondContact OD1-N 3.4Å; N407-R409 VanDerWaalsContact OD1-N 3.16Å; N407-A410 HydrophobicContact CB-CB 3.88Å; N407-A410 PolarHBondContact O-N 3.16Å; N407-M411 PolarHBondContact O-N 2.97Å; N407-M411 VanDerWaalsContact O-N 3.08Å
408P69.3Low67.9Low92 Ų9295.9 Ų95.960%0.59750%0.502SS*.Hα-helixtrans-59.3-32.5-176.123.9-34.1000112.3L406 M411 E412L406-P408 WeakPolarHBondContact O-CD 3.38Å; P408-M411 PolarHBondContact O-N 2.94Å; P408-E412 PolarHBondContact O-N 2.94Å
409R78.4Confident68.3Low202 Ų20297.9 Ų97.976%0.76251%0.508SS*.Hα-helixtrans-68-36.3175.7-109.9-176.3-177.5-166.51.3113N407 A413N407-R409 PolarHBondContact O-N 3.15Å; N407-R409 VanDerWaalsContact O-N 3.15Å; N407-R409 WeakPolarHBondContact OD1-CB 3.36Å; N407-R409 PolarHBondContact OD1-N 3.4Å; N407-R409 VanDerWaalsContact OD1-N 3.16Å; R409-A413 WeakPolarHBondContact O-CB 3.33Å; R409-A413 PolarHBondContact O-N 2.85Å
410A68.4Low68.2Low27 Ų2797.4 Ų97.422%0.22350%0.504CS..Hα-helixtrans-74-34178.500000111.1M404 N407 A413 L414M404-A410 HydrophobicContact CG-CB 3.96Å; M404-A410 VanDerWaalsContact O-CB 3.28Å; M404-A410 WeakPolarHBondContact O-CB 3.45Å; N407-A410 HydrophobicContact CB-CB 3.88Å; N407-A410 PolarHBondContact O-N 3.16Å; A410-A413 PolarHBondContact O-N 3.16Å; A410-L414 VanDerWaalsContact O-CB 3.25Å; A410-L414 WeakPolarHBondContact O-CB 3.08Å; A410-L414 PolarHBondContact O-N 2.8Å
411M63.8Low68.1Low97 Ų9793.3 Ų93.348%0.47849%0.487SS..Hα-helixtrans-66.4-40172.5-160.8174.582.500111.9N407 P408 L414 L415N407-M411 PolarHBondContact O-N 2.97Å; N407-M411 VanDerWaalsContact O-N 3.08Å; P408-M411 PolarHBondContact O-N 2.94Å; M411-L414 PolarHBondContact O-N 3.38Å; M411-L415 WeakPolarHBondContact O-CB 3.44Å; M411-L415 PolarHBondContact O-N 2.81Å
412E77.3Confident67.9Low142 Ų14297.1 Ų97.166%0.66450%0.503SS*.Hα-helixtrans-61-47.4172.3-103.5169.260.400112.3P408 L414 L415 Q416P408-E412 PolarHBondContact O-N 2.94Å; E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.94Å; E412-L415 PolarHBondContact O-N 3.3Å; E412-Q416 WeakPolarHBondContact O-CB 3.29Å; E412-Q416 PolarHBondContact O-N 3.48Å
413A71.9Confident67.9Low42 Ų4299.8 Ų99.835%0.34752%0.52SS..Hα-helixtrans-63.1-39.4176.900000111.8R409 A410 Q416 I417R409-A413 WeakPolarHBondContact O-CB 3.33Å; R409-A413 PolarHBondContact O-N 2.85Å; A410-A413 PolarHBondContact O-N 3.16Å; A413-Q416 WeakPolarHBondContact O-CB 3.41Å; A413-Q416 PolarHBondContact O-N 2.5Å; A413-I417 VanDerWaalsContact O-CG1 3.25Å; A413-I417 WeakPolarHBondContact O-CG1 3.18Å; A413-I417 PolarHBondContact O-N 2.89Å
414L66.6Low67.5Low112 Ų112100.8 Ų100.859%0.58652%0.519SS*.Hα-helixtrans-67.4-38.4178.3-170.467.5000111.9A410 M411 E412 Q416 I417 Q418A410-L414 VanDerWaalsContact O-CB 3.25Å; A410-L414 WeakPolarHBondContact O-CB 3.08Å; A410-L414 PolarHBondContact O-N 2.8Å; M411-L414 PolarHBondContact O-N 3.38Å; E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.94Å; L414-Q416 VanDerWaalsContact C-N 3.33Å; L414-I417 PolarHBondContact O-N 3.08Å; L414-Q418 WeakPolarHBondContact O-CB 3.35Å; L414-Q418 PolarHBondContact O-N 3.28Å
415L72.1Confident66.9Low103 Ų10397.4 Ų97.454%0.53951%0.51SS..Hα-helixtrans-66.3-38.7174.8-159.9152.2000110.7M411 E412 Q418 Q419M411-L415 WeakPolarHBondContact O-CB 3.44Å; M411-L415 PolarHBondContact O-N 2.81Å; E412-L415 PolarHBondContact O-N 3.3Å; L415-Q418 PolarHBondContact O-N 3.19Å; L415-Q419 WeakPolarHBondContact O-CB 3.45Å; L415-Q419 PolarHBondContact O-N 3.48Å
416Q77.8Confident66.8Low150 Ų15096.8 Ų96.870%0.70152%0.52SS*.Hα-helixtrans-65.1-37.9173.9-164.1171.922.700112.4E412 A413 L414 G420E412-Q416 WeakPolarHBondContact O-CB 3.29Å; E412-Q416 PolarHBondContact O-N 3.48Å; A413-Q416 WeakPolarHBondContact O-CB 3.41Å; A413-Q416 PolarHBondContact O-N 2.5Å; L414-Q416 VanDerWaalsContact C-N 3.33Å; Q416-G420 PolarHBondContact O-N 3.07Å
417I71.1Confident65.8Low96 Ų9699 Ų9949%0.49253%0.532SS..Hα-helixtrans-71.6-41.9175.9-70.7163.7000111.4A413 L414 Q419 G420 L421A413-I417 VanDerWaalsContact O-CG1 3.25Å; A413-I417 WeakPolarHBondContact O-CG1 3.18Å; A413-I417 PolarHBondContact O-N 2.89Å; L414-I417 PolarHBondContact O-N 3.08Å; I417-Q419 VanDerWaalsContact C-N 3.26Å; I417-Q419 PolarHBondContact O-N 2.97Å; I417-G420 PolarHBondContact O-N 3.15Å; I417-G420 VanDerWaalsContact O-N 3.16Å; I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 PolarHBondContact O-N 3.07Å
418Q57.1Low64.6Low129 Ų12997.8 Ų97.860%0.60353%0.528SS*.Hα-helixtrans-58.6-44.1176-172.3-172.394.300110L414 L415 Q422L414-Q418 WeakPolarHBondContact O-CB 3.35Å; L414-Q418 PolarHBondContact O-N 3.28Å; L415-Q418 PolarHBondContact O-N 3.19Å; Q418-Q422 WeakPolarHBondContact O-CB 3.32Å; Q418-Q422 PolarHBondContact O-N 2.84Å
419Q71.9Confident63.7Low130 Ų13098.2 Ų98.261%0.60753%0.531SS*.Hα-helixtrans-69.1-36176.6-162.3133.578.300112.6L415 I417 T423L415-Q419 WeakPolarHBondContact O-CB 3.45Å; L415-Q419 PolarHBondContact O-N 3.48Å; I417-Q419 VanDerWaalsContact C-N 3.26Å; I417-Q419 PolarHBondContact O-N 2.97Å; Q419-T423 WeakPolarHBondContact O-CB 3.11Å; Q419-T423 PolarHBondContact O-N 3.02Å; Q419-T423 PolarHBondContact O-OG1 3.45Å
420G67.9Low62.2Low40 Ų4092.9 Ų92.941%0.41252%0.524SS..Hα-helixtrans-65.2-43.1174.700000113.4Q416 I417 T423 L424Q416-G420 PolarHBondContact O-N 3.07Å; I417-G420 PolarHBondContact O-N 3.15Å; I417-G420 VanDerWaalsContact O-N 3.16Å; G420-T423 PolarHBondContact O-N 3.28Å; G420-L424 WeakPolarHBondContact O-CB 3.05Å; G420-L424 PolarHBondContact O-N 2.94Å
421L64.6Low61.3Low77 Ų7797 Ų9740%0.40354%0.542SS..Hα-helixtrans-72.3-36.2176.8-85.4168.3000112.3I417 T423 L424 A425I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 PolarHBondContact O-N 3.07Å; L421-T423 VanDerWaalsContact C-N 3.29Å; L421-T423 PolarHBondContact O-N 3.18Å; L421-L424 PolarHBondContact O-N 3.41Å; L421-A425 WeakPolarHBondContact O-CB 3.37Å; L421-A425 PolarHBondContact O-N 3.3Å
422Q64Low60.7Low131 Ų13199 Ų9961%0.61255%0.552SS**Hα-helixtrans-64.3-37.3174.2-146.291.680.600111.3Q418 A426Q418-Q422 WeakPolarHBondContact O-CB 3.32Å; Q418-Q422 PolarHBondContact O-N 2.84Å; Q422-A426 WeakPolarHBondContact O-CB 3.36Å; Q422-A426 PolarHBondContact O-N 2.89Å; Q422-A426 VanDerWaalsContact O-N 3.1Å
423T63.6Low59.6Low78 Ų7898.1 Ų98.148%0.47956%0.556SS.*Hα-helixtrans-69.6-42.6175.2-54.20000111.2Q419 G420 L421 A426 D427Q419-T423 WeakPolarHBondContact O-CB 3.11Å; Q419-T423 PolarHBondContact O-N 3.02Å; Q419-T423 PolarHBondContact O-OG1 3.45Å; G420-T423 PolarHBondContact O-N 3.28Å; L421-T423 VanDerWaalsContact C-N 3.29Å; L421-T423 PolarHBondContact O-N 3.18Å; T423-A426 PolarHBondContact O-N 3.47Å; T423-D427 PolarHBondContact O-N 3.32Å
424L56Low58.5Low98 Ų98102 Ų10251%0.51358%0.575SS.*Hα-helixtrans-69.4-34.9179.2-160.671000112.9G420 L421 A426 T428G420-L424 WeakPolarHBondContact O-CB 3.05Å; G420-L424 PolarHBondContact O-N 2.94Å; L421-L424 PolarHBondContact O-N 3.41Å; L424-A426 VanDerWaalsContact C-N 3.32Å; L424-T428 PolarHBondContact O-N 2.75Å; L424-T428 PolarHBondContact O-OG1 3.02Å
425A53.1Low57.6Low47 Ų47101.1 Ų101.139%0.38858%0.584SS.*Hα-helixtrans-69.2-30.5172.900000112.2L421L421-A425 WeakPolarHBondContact O-CB 3.37Å; L421-A425 PolarHBondContact O-N 3.3Å
426A54.8Low56.2Low82 Ų8298.6 Ų98.668%0.67858%0.582SS**Hα-helixtrans-76.7-37.5174.400000112.7Q422 T423 L424Q422-A426 WeakPolarHBondContact O-CB 3.36Å; Q422-A426 PolarHBondContact O-N 2.89Å; Q422-A426 VanDerWaalsContact O-N 3.1Å; T423-A426 PolarHBondContact O-N 3.47Å; L424-A426 VanDerWaalsContact C-N 3.32Å
427D48.1Very low54.7Low129 Ų12998.2 Ų98.269%0.6959%0.593SS**Hα-helixtrans-89.1-25.4-175.4-97.5-25.8000114.6T423T423-D427 PolarHBondContact O-N 3.32Å
428T39.1Very low53.5Low50 Ų5096.9 Ų96.931%0.30760%0.603SS.*  trans-147.280-177.239.20000113.7L424 S430 L431L424-T428 PolarHBondContact O-N 2.75Å; L424-T428 PolarHBondContact O-OG1 3.02Å; T428-S430 PolarHBondContact O-N 2.77Å; T428-L431 HydrophobicContact CG2-CD1 4.12Å; T428-L431 HydrophobicContact CG2-CG 4.47Å
429P50.7Low52.5Low101 Ų10197.3 Ų97.366%0.65661%0.614SS**THydrogen-bonded Turntrans-67-2.9174.325.9-33.5000114.4
430S47.1Very low50.9Low89 Ų8996.8 Ų96.862%0.62263%0.625SS**THydrogen-bonded Turntrans-102.9-10.5-171.8-39.60000115.1T428T428-S430 PolarHBondContact O-N 2.77Å
431L49Very low49.3Very low115 Ų11599.9 Ų99.960%0.60265%0.647SS**SBendtrans-88.8-11.9-175.6-66.3-179.1000113.8T428 T433T428-L431 HydrophobicContact CG2-CD1 4.12Å; T428-L431 HydrophobicContact CG2-CG 4.47Å; L431-T433 VanDerWaalsContact C-N 3.26Å; L431-T433 PolarHBondContact O-N 2.78Å
432M51.7Low47.8Very low139 Ų13999.7 Ų99.769%0.68566%0.664SS**THydrogen-bonded Turntrans-73.6-15.5176-65.2-169.8178.500113.3
433T52.8Low46.2Very low122 Ų12299.5 Ų99.575%0.74868%0.677SS**THydrogen-bonded Turntrans-88.8-10.5-179.4-39.60000113.7L431L431-T433 VanDerWaalsContact C-N 3.26Å; L431-T433 PolarHBondContact O-N 2.78Å
434V49.8Very low44.6Very low125 Ų12599.7 Ų99.776%0.75869%0.687SS**SBendtrans-92.1-12.5-175.1155.50000114.1G436V434-G436 PolarHBondContact O-N 2.85Å
435A47.1Very low43.3Very low93 Ų93104.3 Ų104.377%0.76971%0.705SS**  trans-97.529.8176.800000113.6
436G43.3Very low42.2Very low49 Ų49110.7 Ų110.751%0.50573%0.727SS.*  trans-73.7134.716800000111V434 G438V434-G436 PolarHBondContact O-N 2.85Å; G436-G438 PolarHBondContact O-N 2.75Å; G436-G438 VanDerWaalsContact O-N 3.09Å
437P46.2Very low42Very low142 Ų142111.3 Ų111.392%0.92272%0.724SS**SBendtrans-73.6105.2178.629.7-30.4000109.1
438G46.5Very low41Very low68 Ų68110.5 Ų110.570%0.70173%0.728SS**  trans149.855.6170.500000116G436G436-G438 PolarHBondContact O-N 2.75Å; G436-G438 VanDerWaalsContact O-N 3.09Å
439T36.2Very low40.6Very low138 Ų138115.5 Ų115.585%0.84775%0.753SS**  trans-134.894.9156.963.30000110A441T439-A441 PolarHBondContact O-N 3.38Å
440S37.8Very low40.4Very low119 Ų119115.5 Ų115.583%0.83275%0.753SS**  trans-74.1112.2168.551.30000109.4
441A34.7Very low39.5Very low106 Ų106117.3 Ų117.388%0.87677%0.766SS**  trans-69129.3162.300000109.2T439T439-A441 PolarHBondContact O-N 3.38Å
442G32.3Very low38.8Very low73 Ų73119.9 Ų119.975%0.75378%0.779SS**  trans-83.8163.8-162.500000117.1
443S29.5Very low37.7Very low126 Ų126120.7 Ų120.788%0.88179%0.786SS**  trans-155.1134.1140-120.10000112.2
444A30.5Very low36.7Very low83 Ų83121 Ų12169%0.68678%0.784SS**  trans68.4101.1154.500000122
445Q30Very low35.8Very low194 Ų194123.9 Ų123.991%0.90779%0.789SS**  51.1113.5125.1-69.3172.8-55.300121
446H30.1Very low35.1Very low181 Ų181125.5 Ų125.584%0.83879%0.789SS**  175.8147.6102.5-162.4-100.5000111.2
447P49Very low34.3Very low96 Ų96126.7 Ų126.762%0.62380%0.801SS**  trans-104.8-177.4-168.239.1-30.5000115.5
448S27.6Very low33.4Very low111 Ų111125.8 Ų125.878%0.77680%0.797SS**  trans101.8132.8170.4-56.70000114.8
449D30.9Very low32.8Very low156 Ų156131.9 Ų131.983%0.83480%0.799SS**  cis-164.9164.8-5.4-132.7-25.1000105.6
450P46.5Very low32.8Very low101 Ų101130.8 Ų130.866%0.65679%0.794SS**  trans-98.1156.7-169.938.7-32.4000112.6
451S28.8Very low32.6Very low127 Ų127133.2 Ų133.289%0.88879%0.792SS**  trans-163.7134149-84.50000113.6
452L33.5Very low33.1Very low169 Ų169134.5 Ų134.589%0.88578%0.784SS**  trans-54.2143.1-177-67.4144.7000115.6
453N28.1Very low33.2Very low155 Ų155134.7 Ų134.783%0.82978%0.779SS**  -151.9126123.8-156.75.9000110.8
454N32.8Very low33.8Very low129 Ų129134.4 Ų134.469%0.6977%0.774SS**  trans-116.1114-176.1-171.720.9000106.9
455Q30.9Very low34.4Very low186 Ų186135 Ų13587%0.86977%0.765SS**  trans-142.3138.2154-75.5-162.753.400110.1
456T32.3Very low35.6Very low127 Ų127130.3 Ų130.378%0.77975%0.75SS**  trans-100.7149.3-149.3-43.80000111.4
457G26.2Very low36.9Very low73 Ų73129.7 Ų129.775%0.75375%0.747SS**  trans-171.363.7172.400000114.5
458C26.6Very low37.1Very low123 Ų123131 Ų13183%0.83175%0.745SS**  trans42.693153.8-58.90000120.3
459R33.9Very low38.6Very low197 Ų197130.7 Ų130.774%0.74373%0.732SS**  trans-92129.8150.1168.7177.5152.6171.4-9108.5Q461 D462R459-Q461 PolarHBondContact O-N 2.91Å; R459-D462 IonicContact NH2-OD2 3Å; R459-D462 PolarHBondContact NH2-OD2 3.28Å
460P36.8Very low40.2Very low115 Ų115128.3 Ų128.375%0.74772%0.718SS**  trans-72.6123.3159.4-9.326.3000109
461Q34.2Very low40.9Very low169 Ų169129.4 Ų129.479%0.7972%0.715SS**  trans-15.5124.8153.7-61.1169.611.500113.2R459 A463R459-Q461 PolarHBondContact O-N 2.91Å; Q461-A463 PolarHBondContact O-N 3.28Å
462D45.8Very low42.4Very low133 Ų133126.9 Ų126.971%0.71169%0.689SS**  43.87696-84.3-82.8000111.5R459R459-D462 IonicContact NH2-OD2 3Å; R459-D462 PolarHBondContact NH2-OD2 3.28Å
463A33.3Very low43.9Very low77 Ų77124.4 Ų124.464%0.63667%0.672SS**  trans-84.8138.4153.800000107.2Q461 L465Q461-A463 PolarHBondContact O-N 3.28Å; A463-L465 PolarHBondContact O-N 3.28Å
464P41.3Very low45.7Very low120 Ų120122.7 Ų122.778%0.77966%0.658SS**  trans-59.8114.1167.927.1-30.2000105.9T466P464-T466 PolarHBondContact O-N 3.45Å
465L43.2Very low47.3Very low97 Ų97120 Ų12051%0.50865%0.646SS.*  trans-53.3115.1168.3-71.8164.5000105.5A463 E467 Q469A463-L465 PolarHBondContact O-N 3.28Å; L465-E467 PolarHBondContact O-N 3.34Å; L465-Q469 HydrophobicContact CD2-CB 4.41Å
466T56.8Low48.9Very low95 Ų95116.8 Ų116.858%0.58363%0.631SS**  trans-51.4141.7177.1-29.50000107.3P464 Q468 Q469 L470P464-T466 PolarHBondContact O-N 3.45Å; T466-Q468 HydrophobicContact CG2-CB 4.49Å; T466-Q468 CarbonylContact O-C 3.11Å; T466-Q468 PolarHBondContact O-N 2.92Å; T466-Q469 WeakPolarHBondContact O-CA 3.26Å; T466-Q469 PolarHBondContact O-N 2.85Å; T466-L470 PolarHBondContact O-N 3.48Å
467E55.6Low50.5Low168 Ų168116.7 Ų116.779%0.78562%0.621SS**Hα-helixtrans-48.3-31.5178.1-166.1166.390.800111.9L465 L470 Q471L465-E467 PolarHBondContact O-N 3.34Å; E467-L470 PolarHBondContact O-N 3.09Å; E467-Q471 VanDerWaalsContact O-CB 3.31Å; E467-Q471 WeakPolarHBondContact O-CB 3.29Å; E467-Q471 PolarHBondContact O-N 3Å
468Q54Low52.3Low122 Ų122116.9 Ų116.957%0.5760%0.604SS**Hα-helixtrans-60.6-43.7171.4-166.6179.1-15.800114.2T466 Q471 E472T466-Q468 HydrophobicContact CG2-CB 4.49Å; T466-Q468 CarbonylContact O-C 3.11Å; T466-Q468 PolarHBondContact O-N 2.92Å; Q468-Q471 PolarHBondContact O-N 3.36Å; Q468-E472 WeakPolarHBondContact O-CB 3.2Å; Q468-E472 WeakPolarHBondContact O-CG 3.22Å; Q468-E472 PolarHBondContact O-N 3.41Å
469Q58.3Low54Low106 Ų106115.6 Ų115.650%0.49559%0.588SS.*Hα-helixtrans-74.6-32.4178.8-121.5-164.6-1700112.4L465 T466 E472 Q473L465-Q469 HydrophobicContact CD2-CB 4.41Å; T466-Q469 WeakPolarHBondContact O-CA 3.26Å; T466-Q469 PolarHBondContact O-N 2.85Å; Q469-E472 PolarHBondContact O-N 2.77Å; Q469-Q473 WeakPolarHBondContact O-CB 3.28Å; Q469-Q473 PolarHBondContact O-N 3.45Å
470L65.1Low55.5Low105 Ų105112.7 Ų112.755%0.5558%0.581SS.*Hα-helixtrans-70.9-36.8173.5-171.1142000111T466 E467 Q473 F474T466-L470 PolarHBondContact O-N 3.48Å; E467-L470 PolarHBondContact O-N 3.09Å; L470-Q473 PolarHBondContact O-N 3.43Å; L470-F474 VanDerWaalsContact O-CB 3.29Å; L470-F474 WeakPolarHBondContact O-CB 3.06Å; L470-F474 PolarHBondContact O-N 3.34Å
471Q60.6Low56.7Low125 Ų125109.6 Ų109.658%0.58457%0.565SS**Hα-helixtrans-68.5-39172-168.7160.247.900111.6E467 Q468 F474 V475E467-Q471 VanDerWaalsContact O-CB 3.31Å; E467-Q471 WeakPolarHBondContact O-CB 3.29Å; E467-Q471 PolarHBondContact O-N 3Å; Q468-Q471 PolarHBondContact O-N 3.36Å; Q471-F474 PolarHBondContact O-N 3.21Å; Q471-V475 WeakPolarHBondContact O-CB 3.37Å; Q471-V475 WeakPolarHBondContact O-CG2 3.12Å; Q471-V475 PolarHBondContact O-N 3.39Å
472E60.8Low57.8Low74 Ų74106.2 Ų106.235%0.34655%0.551SS.*Hα-helixtrans-64.7-38.2172.3-77.6-168.5102.200112.4Q468 Q469 H476Q468-E472 WeakPolarHBondContact O-CB 3.2Å; Q468-E472 WeakPolarHBondContact O-CG 3.22Å; Q468-E472 PolarHBondContact O-N 3.41Å; Q469-E472 PolarHBondContact O-N 2.77Å; E472-H476 WeakPolarHBondContact O-CB 3.29Å; E472-H476 PolarHBondContact O-N 3.35Å; E472-H476 PolarHBondContact O-ND1 2.8Å
473Q64.8Low58.3Low116 Ų116102.4 Ų102.454%0.54254%0.539SS..Hα-helixtrans-71.5-35.5175.6-169172.612.100111.6Q469 L470 H476 Q477Q469-Q473 WeakPolarHBondContact O-CB 3.28Å; Q469-Q473 PolarHBondContact O-N 3.45Å; L470-Q473 PolarHBondContact O-N 3.43Å; Q473-H476 PolarHBondContact O-N 2.84Å; Q473-Q477 WeakPolarHBondContact O-CB 3.34Å; Q473-Q477 PolarHBondContact O-N 2.95Å
474F66.8Low59.2Low120 Ų120103.8 Ų103.853%0.52654%0.535SS..Hα-helixtrans-68.1-41.6172.8-178.4-97.8000111.4L470 Q471 Q477 M478L470-F474 VanDerWaalsContact O-CB 3.29Å; L470-F474 WeakPolarHBondContact O-CB 3.06Å; L470-F474 PolarHBondContact O-N 3.34Å; Q471-F474 PolarHBondContact O-N 3.21Å; F474-Q477 PolarHBondContact O-N 3.39Å; F474-M478 HydrophobicContact CE1-SD 3.98Å; F474-M478 HydrophobicContact CZ-SD 4.44Å; F474-M478 WeakPolarHBondContact O-CB 3.43Å; F474-M478 PolarHBondContact O-N 2.77Å
475V66.8Low59.8Low71 Ų71101.4 Ų101.443%0.4352%0.519SS..Hα-helixtrans-64.2-42.2173.6169.70000110.1Q471 M478 L479Q471-V475 WeakPolarHBondContact O-CB 3.37Å; Q471-V475 WeakPolarHBondContact O-CG2 3.12Å; Q471-V475 PolarHBondContact O-N 3.39Å; V475-M478 PolarHBondContact O-N 2.97Å; V475-L479 WeakPolarHBondContact O-CB 3.16Å; V475-L479 PolarHBondContact O-N 3.2Å
476H63.1Low60.1Low120 Ų120100.3 Ų100.356%0.55651%0.514SS*.Hα-helixtrans-66.6-37.5174.1-82.984.5000112.6E472 Q473 K480E472-H476 WeakPolarHBondContact O-CB 3.29Å; E472-H476 PolarHBondContact O-N 3.35Å; E472-H476 PolarHBondContact O-ND1 2.8Å; Q473-H476 PolarHBondContact O-N 2.84Å; H476-K480 WeakPolarHBondContact O-CB 3.41Å; H476-K480 PolarHBondContact O-N 3.39Å
477Q66.4Low59.7Low125 Ų125100.3 Ų100.358%0.58451%0.51SS*.Hα-helixtrans-70.4-39177-170.385.990.800111.1Q473 F474 K480 A481Q473-Q477 WeakPolarHBondContact O-CB 3.34Å; Q473-Q477 PolarHBondContact O-N 2.95Å; F474-Q477 PolarHBondContact O-N 3.39Å; Q477-K480 CarbonylContact O-C 3.57Å; Q477-K480 PolarHBondContact O-N 2.73Å; Q477-A481 WeakPolarHBondContact O-CB 3.16Å; Q477-A481 PolarHBondContact O-N 3.4Å
478M63.8Low59.2Low77 Ų7793.9 Ų93.938%0.37949%0.488SS..Hα-helixtrans-71.4-40.1176.1-170.1176.873.900110.5F474 V475 K480 A481 L482F474-M478 HydrophobicContact CE1-SD 3.98Å; F474-M478 HydrophobicContact CZ-SD 4.44Å; F474-M478 WeakPolarHBondContact O-CB 3.43Å; F474-M478 PolarHBondContact O-N 2.77Å; V475-M478 PolarHBondContact O-N 2.97Å; M478-K480 VanDerWaalsContact C-N 3.31Å; M478-A481 CarbonylContact O-C 3.59Å; M478-A481 PolarHBondContact O-N 2.82Å; M478-L482 HydrophobicContact CG-CD1 3.83Å; M478-L482 WeakPolarHBondContact O-CB 3.35Å; M478-L482 WeakPolarHBondContact O-CD1 3.4Å; M478-L482 VanDerWaalsContact O-CG 3.28Å; M478-L482 WeakPolarHBondContact O-CG 3.2Å; M478-L482 PolarHBondContact O-N 2.81Å
479L63.3Low59Low95 Ų9590.9 Ų90.950%0.49748%0.478SS..Hα-helixtrans-68-33.4173.6-162.673000111.1V475 A483V475-L479 WeakPolarHBondContact O-CB 3.16Å; V475-L479 PolarHBondContact O-N 3.2Å; L479-A483 WeakPolarHBondContact O-CB 3.18Å; L479-A483 PolarHBondContact O-N 3.23Å
480K65.5Low58.7Low137 Ų13791 Ų9160%0.59647%0.474SS*.Hα-helixtrans-75.1-33.5172.7-166.4122.3-175.9171.60112.3H476 Q477 M478 N484H476-K480 WeakPolarHBondContact O-CB 3.41Å; H476-K480 PolarHBondContact O-N 3.39Å; Q477-K480 CarbonylContact O-C 3.57Å; Q477-K480 PolarHBondContact O-N 2.73Å; M478-K480 VanDerWaalsContact C-N 3.31Å; K480-N484 WeakPolarHBondContact O-CB 3.39Å; K480-N484 VanDerWaalsContact O-CG 3.3Å; K480-N484 PolarHBondContact O-N 3.5Å; K480-N484 PolarHBondContact O-OD1 3.41Å
481A60.5Low58Low50 Ų5091.4 Ų91.441%0.41347%0.473SS..Hα-helixtrans-73.9-31.9172.400000111.5Q477 M478 N484 T485Q477-A481 WeakPolarHBondContact O-CB 3.16Å; Q477-A481 PolarHBondContact O-N 3.4Å; M478-A481 CarbonylContact O-C 3.59Å; M478-A481 PolarHBondContact O-N 2.82Å; A481-N484 CarbonylContact O-C 3.55Å; A481-T485 WeakPolarHBondContact O-CA 3.4Å; A481-T485 VanDerWaalsContact O-CB 3.28Å; A481-T485 WeakPolarHBondContact O-CB 3.38Å; A481-T485 WeakPolarHBondContact O-CG2 2.96Å; A481-T485 PolarHBondContact O-N 3.08Å; A481-T485 PolarHBondContact O-OG1 3.19Å
482L58.6Low57.7Low97 Ų9791.4 Ų91.451%0.50847%0.473SS..Hα-helixtrans-74.2-35.9171.1-79.6156.3000111.6M478 T485 N486M478-L482 HydrophobicContact CG-CD1 3.83Å; M478-L482 WeakPolarHBondContact O-CB 3.35Å; M478-L482 WeakPolarHBondContact O-CD1 3.4Å; M478-L482 VanDerWaalsContact O-CG 3.28Å; M478-L482 WeakPolarHBondContact O-CG 3.2Å; M478-L482 PolarHBondContact O-N 2.81Å; L482-T485 WeakPolarHBondContact CA-OG1 3.47Å; L482-T485 CarbonylContact O-C 3.52Å; L482-T485 PolarHBondContact O-OG1 3.37Å; L482-N486 VanDerWaalsContact O-CB 3.28Å; L482-N486 WeakPolarHBondContact O-CB 3.08Å; L482-N486 PolarHBondContact O-N 2.95Å
483A55.7Low57.5Low54 Ų5490.7 Ų90.745%0.44647%0.47SS..Hα-helixtrans-70.1-38170.600000111.5L479 N486 D487L479-A483 WeakPolarHBondContact O-CB 3.18Å; L479-A483 PolarHBondContact O-N 3.23Å; A483-N486 WeakPolarHBondContact O-CB 3.29Å; A483-N486 PolarHBondContact O-N 3.47Å; A483-D487 PolarHBondContact O-N 3.36Å; A483-D487 VanDerWaalsContact O-N 3.11Å
484N52.7Low57.2Low105 Ų10587.4 Ų87.456%0.56145%0.454SS*.Hα-helixtrans-77.4-26.4174-80.211.8000113.1K480 A481 D487 G488K480-N484 WeakPolarHBondContact O-CB 3.39Å; K480-N484 VanDerWaalsContact O-CG 3.3Å; K480-N484 PolarHBondContact O-N 3.5Å; K480-N484 PolarHBondContact O-OD1 3.41Å; A481-N484 CarbonylContact O-C 3.55Å; N484-D487 CarbonylContact O-C 3.45Å; N484-D487 WeakPolarHBondContact O-CB 3.43Å; N484-D487 PolarHBondContact O-N 2.81Å; N484-G488 PolarHBondContact O-N 3.19Å
485T52.9Low57Low71 Ų7189 Ų8944%0.43646%0.464SS..Hα-helixtrans-81.9-18.3167.643.40000111.1A481 L482 D487 G488 V489A481-T485 WeakPolarHBondContact O-CA 3.4Å; A481-T485 VanDerWaalsContact O-CB 3.28Å; A481-T485 WeakPolarHBondContact O-CB 3.38Å; A481-T485 WeakPolarHBondContact O-CG2 2.96Å; A481-T485 PolarHBondContact O-N 3.08Å; A481-T485 PolarHBondContact O-OG1 3.19Å; L482-T485 WeakPolarHBondContact CA-OG1 3.47Å; L482-T485 CarbonylContact O-C 3.52Å; L482-T485 PolarHBondContact O-OG1 3.37Å; T485-D487 VanDerWaalsContact C-N 3.26Å; T485-G488 PolarHBondContact O-N 2.91Å; T485-V489 WeakPolarHBondContact O-CA 3.29Å; T485-V489 WeakPolarHBondContact O-CB 3.44Å; T485-V489 WeakPolarHBondContact O-CG2 3.22Å; T485-V489 PolarHBondContact O-N 3.28Å
486N50.2Low57.2Low74 Ų7491.8 Ų91.840%0.39648%0.476SS..Hα-helixtrans-70.2-29.9162.6-155.53.1000109.9L482 A483 R490L482-N486 VanDerWaalsContact O-CB 3.28Å; L482-N486 WeakPolarHBondContact O-CB 3.08Å; L482-N486 PolarHBondContact O-N 2.95Å; A483-N486 WeakPolarHBondContact O-CB 3.29Å; A483-N486 PolarHBondContact O-N 3.47Å; N486-R490 WeakPolarHBondContact O-CB 3.06Å; N486-R490 VanDerWaalsContact O-CD 3.22Å; N486-R490 WeakPolarHBondContact O-CD 3.02Å; N486-R490 WeakPolarHBondContact O-CG 3.28Å; N486-R490 PolarHBondContact O-N 3.01Å
487D48.1Very low57.9Low95 Ų9587.9 Ų87.951%0.50846%0.457SS..Hα-helixtrans-73.6-37.6167.6-121.9-91.6000112.3A483 N484 T485 H491A483-D487 PolarHBondContact O-N 3.36Å; A483-D487 VanDerWaalsContact O-N 3.11Å; N484-D487 CarbonylContact O-C 3.45Å; N484-D487 WeakPolarHBondContact O-CB 3.43Å; N484-D487 PolarHBondContact O-N 2.81Å; T485-D487 VanDerWaalsContact C-N 3.26Å; D487-H491 VanDerWaalsContact O-CB 3.27Å; D487-H491 WeakPolarHBondContact O-CB 3.47Å; D487-H491 PolarHBondContact O-CD2 3.19Å; D487-H491 PolarHBondContact O-N 3.45Å
488G45.2Very low58.7Low32 Ų3285.8 Ų85.833%0.3345%0.448SS..Hα-helixtrans-71.2-40.6176.600000114.4N484 T485 H491 E492N484-G488 PolarHBondContact O-N 3.19Å; T485-G488 PolarHBondContact O-N 2.91Å; G488-H491 PolarHBondContact O-N 3.48Å; G488-E492 WeakPolarHBondContact O-CG 3.37Å; G488-E492 PolarHBondContact O-N 3.48Å
489V50.3Low59.6Low59 Ų5989.6 Ų89.636%0.35846%0.464SS..Hα-helixtrans-74.5-35.5174.2174.20000109.8T485 H491 E492 E493T485-V489 WeakPolarHBondContact O-CA 3.29Å; T485-V489 WeakPolarHBondContact O-CB 3.44Å; T485-V489 WeakPolarHBondContact O-CG2 3.22Å; T485-V489 PolarHBondContact O-N 3.28Å; V489-H491 VanDerWaalsContact C-N 3.29Å; V489-H491 PolarHBondContact O-N 2.79Å; V489-E492 PolarHBondContact O-N 3.19Å; V489-E493 HydrophobicContact CG1-CG 4.09Å; V489-E493 WeakPolarHBondContact O-CB 3.44Å; V489-E493 WeakPolarHBondContact O-CG 3.32Å; V489-E493 PolarHBondContact O-N 3.1Å
490R51Low60.7Low109 Ų10987.5 Ų87.541%0.41145%0.452SS..Hα-helixtrans-65.5-32.6168.7-78.6174.1156.5-177.6-2.8112.9N486 E494N486-R490 WeakPolarHBondContact O-CB 3.06Å; N486-R490 VanDerWaalsContact O-CD 3.22Å; N486-R490 WeakPolarHBondContact O-CD 3.02Å; N486-R490 WeakPolarHBondContact O-CG 3.28Å; N486-R490 PolarHBondContact O-N 3.01Å; R490-E494 WeakPolarHBondContact O-CB 3.47Å; R490-E494 PolarHBondContact O-N 3.19Å
491H51.6Low61.5Low113 Ų11381.3 Ų81.352%0.52343%0.425SS..Hα-helixtrans-72.7-39.5173.2-101.2-94.8000112.1D487 G488 V489 E494 E495D487-H491 VanDerWaalsContact O-CB 3.27Å; D487-H491 WeakPolarHBondContact O-CB 3.47Å; D487-H491 PolarHBondContact O-CD2 3.19Å; D487-H491 PolarHBondContact O-N 3.45Å; G488-H491 PolarHBondContact O-N 3.48Å; V489-H491 VanDerWaalsContact C-N 3.29Å; V489-H491 PolarHBondContact O-N 2.79Å; H491-E494 PolarHBondContact O-N 3.11Å; H491-E495 PolarHBondContact O-N 3.41Å; H491-E495 VanDerWaalsContact O-N 3.08Å
492E54.2Low62.6Low125 Ų12585.1 Ų85.158%0.58444%0.435SS*.Hα-helixtrans-65.8-44.4173.3-74.4176.9160.500111.4G488 V489 E494 E495 D496G488-E492 WeakPolarHBondContact O-CG 3.37Å; G488-E492 PolarHBondContact O-N 3.48Å; V489-E492 PolarHBondContact O-N 3.19Å; E492-E494 PolarHBondContact O-N 2.91Å; E492-E495 PolarHBondContact O-N 2.9Å; E492-D496 PolarHBondContact O-N 3.06Å
493E55.2Low63.7Low59 Ų5985.4 Ų85.428%0.27643%0.434SS..Hα-helixtrans-66.7-33.5175.3-69.9169.3160.700112.1V489 E495 D496 F497V489-E493 HydrophobicContact CG1-CG 4.09Å; V489-E493 WeakPolarHBondContact O-CB 3.44Å; V489-E493 WeakPolarHBondContact O-CG 3.32Å; V489-E493 PolarHBondContact O-N 3.1Å; E493-E495 VanDerWaalsContact C-N 3.34Å; E493-D496 PolarHBondContact O-N 3Å; E493-F497 HydrophobicContact CB-CD2 4.28Å; E493-F497 HydrophobicContact CB-CE2 4.19Å; E493-F497 WeakPolarHBondContact O-CB 3.23Å; E493-F497 WeakPolarHBondContact O-CD2 3.33Å; E493-F497 WeakPolarHBondContact O-CG 3.28Å; E493-F497 PolarHBondContact O-N 3.35Å
494E58.9Low64.9Low47 Ų4782.9 Ų82.922%0.2241%0.412CS..Hα-helixtrans-69.7-31.6173.5-170.9174.4-179.800111.9R490 H491 E492 Q498 R512 L516R490-E494 WeakPolarHBondContact O-CB 3.47Å; R490-E494 PolarHBondContact O-N 3.19Å; H491-E494 PolarHBondContact O-N 3.11Å; E492-E494 PolarHBondContact O-N 2.91Å; E494-Q498 PolarHBondContact O-N 3Å; E494-Q498 PolarHBondContact O-OE1 2.66Å; E494-R512 IonicContact OE1-CZ 3.89Å; E494-R512 IonicContact OE1-NE 3.26Å; E494-R512 PolarHBondContact OE1-NE 3.41Å; E494-R512 IonicContact OE1-NH1 2.66Å; E494-R512 PolarHBondContact OE1-NH1 3.2Å; E494-R512 IonicContact OE1-NH2 2.87Å; E494-R512 PolarHBondContact OE1-NH2 3.32Å; E494-L516 HydrophobicContact CB-CD1 3.87Å; E494-L516 HydrophobicContact CG-CD1 4.06Å
495E62.4Low66.4Low155 Ų15582.2 Ų82.272%0.72441%0.409SS*.Hα-helixtrans-70.2-41.3171-74.9-168.9167.800112H491 E492 E493 F497 Q498H491-E495 PolarHBondContact O-N 3.41Å; H491-E495 VanDerWaalsContact O-N 3.08Å; E492-E495 PolarHBondContact O-N 2.9Å; E493-E495 VanDerWaalsContact C-N 3.34Å; E495-F497 PolarHBondContact O-N 3.08Å; E495-Q498 WeakPolarHBondContact O-CB 3.39Å
496D72.3Confident68Low129 Ų12983.6 Ų83.669%0.6942%0.421SS*.Hα-helixtrans-67.2-33.7177.9-79.8-37.3000112.8E492 E493E492-D496 PolarHBondContact O-N 3.06Å; E493-D496 PolarHBondContact O-N 3Å
497F77.8Confident69.3Low38 Ų3883.8 Ų83.817%0.16742%0.421CS..THydrogen-bonded Turntrans-100.813.4-178.8-59-52.1000114.3E493 E495 E499 E500 L501 L519 I520E493-F497 HydrophobicContact CB-CD2 4.28Å; E493-F497 HydrophobicContact CB-CE2 4.19Å; E493-F497 WeakPolarHBondContact O-CB 3.23Å; E493-F497 WeakPolarHBondContact O-CD2 3.33Å; E493-F497 WeakPolarHBondContact O-CG 3.28Å; E493-F497 PolarHBondContact O-N 3.35Å; E495-F497 PolarHBondContact O-N 3.08Å; F497-E499 VanDerWaalsContact C-N 3.33Å; F497-E499 PolarHBondContact O-N 3.11Å; F497-E500 PolarHBondContact O-N 3.37Å; F497-L501 HydrophobicContact CB-CD1 4.19Å; F497-L501 WeakPolarHBondContact O-CB 3.14Å; F497-L501 WeakPolarHBondContact O-CD1 3.39Å; F497-L501 PolarHBondContact O-N 3.22Å; F497-L519 HydrophobicContact CB-CD1 4.2Å; F497-L519 HydrophobicContact CG-CB 4.39Å; F497-I520 HydrophobicContact CE2-CG1 4.45Å
498Q82.1Confident70.8Confident81 Ų8181.7 Ų81.738%0.37942%0.422SS..Hα-helixtrans-60.3-39.8-176.5-172.972.7-1.900112.6E494 E495 Q502E494-Q498 PolarHBondContact O-N 3Å; E494-Q498 PolarHBondContact O-OE1 2.66Å; E495-Q498 WeakPolarHBondContact O-CB 3.39Å; Q498-Q502 WeakPolarHBondContact O-CB 3.41Å; Q498-Q502 PolarHBondContact O-N 3.48Å
499E83.9Confident72.4Confident156 Ų15683.2 Ų83.273%0.72942%0.419SS*.Hα-helixtrans-65.6-48.7177.8-68.7-166.615600111.2F497 L501 Q502 Q503F497-E499 VanDerWaalsContact C-N 3.33Å; F497-E499 PolarHBondContact O-N 3.11Å; E499-L501 PolarHBondContact O-N 2.63Å; E499-Q502 PolarHBondContact O-N 3.27Å; E499-Q502 VanDerWaalsContact O-N 3.17Å; E499-Q503 WeakPolarHBondContact O-CB 3.12Å; E499-Q503 PolarHBondContact O-N 3.31Å
500E84.9Confident73.9Confident52 Ų5290.5 Ų90.524%0.24344%0.44CS..Hα-helixtrans-61.6-41.4177-88.981.1135.500112F497 Q502 Q503 M504 L519 L526F497-E500 PolarHBondContact O-N 3.37Å; E500-Q502 VanDerWaalsContact C-N 3.34Å; E500-Q502 PolarHBondContact O-N 3.49Å; E500-Q503 CarbonylContact O-C 3.59Å; E500-Q503 PolarHBondContact O-N 3.27Å; E500-M504 WeakPolarHBondContact O-CB 3.49Å; E500-M504 VanDerWaalsContact O-CG 3.27Å; E500-M504 WeakPolarHBondContact O-CG 3.22Å; E500-M504 PolarHBondContact O-N 3.29Å; E500-L519 HydrophobicContact CB-CD1 3.76Å; E500-L519 HydrophobicContact CB-CD2 3.78Å; E500-L519 HydrophobicContact CB-CG 4.46Å; E500-L519 HydrophobicContact CG-CD2 4.02Å; E500-L526 HydrophobicContact CB-CD1 4.27Å; E500-L526 HydrophobicContact CG-CB 4.07Å; E500-L526 HydrophobicContact CG-CD1 4.19Å
501L82.9Confident75.5Confident6 Ų689.9 Ų89.93%0.03145%0.445CS..Hα-helixtrans-62.2-41.1174.4-96.7140.5000112.3F497 E499 Q503 M504 N505 R512 N515 L516 L519F497-L501 HydrophobicContact CB-CD1 4.19Å; F497-L501 WeakPolarHBondContact O-CB 3.14Å; F497-L501 WeakPolarHBondContact O-CD1 3.39Å; F497-L501 PolarHBondContact O-N 3.22Å; E499-L501 PolarHBondContact O-N 2.63Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; L501-M504 PolarHBondContact O-N 3.2Å; L501-N505 VanDerWaalsContact O-CB 3.31Å; L501-N505 WeakPolarHBondContact O-CB 3.26Å; L501-N505 PolarHBondContact O-N 3.36Å; L501-R512 HydrophobicContact CD2-CB 4.33Å; L501-R512 HydrophobicContact CD2-CG 3.39Å; L501-R512 WeakPolarHBondContact CD2-O 3.33Å; L501-N515 HydrophobicContact CD2-CB 3.75Å; L501-N515 HydrophobicContact CG-CB 4.43Å; L501-L516 HydrophobicContact CD1-CB 4.22Å; L501-L516 HydrophobicContact CD1-CD1 3.53Å; L501-L516 HydrophobicContact CD1-CG 4.5Å; L501-L519 HydrophobicContact CD1-CD1 4.25Å; L501-L519 HydrophobicContact CG-CD1 3.92Å
502Q83Confident76.8Confident131 Ų13190.6 Ų90.661%0.61244%0.443SS*.Hα-helixtrans-68.5-34.7176-169.7168.1-6.600111.5Q498 E499 E500 N505 S506Q498-Q502 WeakPolarHBondContact O-CB 3.41Å; Q498-Q502 PolarHBondContact O-N 3.48Å; E499-Q502 PolarHBondContact O-N 3.27Å; E499-Q502 VanDerWaalsContact O-N 3.17Å; E500-Q502 VanDerWaalsContact C-N 3.34Å; E500-Q502 PolarHBondContact O-N 3.49Å; Q502-N505 PolarHBondContact O-N 2.95Å; Q502-S506 WeakPolarHBondContact O-CB 3.28Å; Q502-S506 PolarHBondContact O-N 3.46Å; Q502-S506 PolarHBondContact O-OG 2.74Å
503Q82.1Confident78.2Confident103 Ų10392 Ų9248%0.48145%0.448SS..Hα-helixtrans-69.1-41.9174.4-165.8161.8-11.500111.5E499 E500 L501 S506 M507 L526E499-Q503 WeakPolarHBondContact O-CB 3.12Å; E499-Q503 PolarHBondContact O-N 3.31Å; E500-Q503 CarbonylContact O-C 3.59Å; E500-Q503 PolarHBondContact O-N 3.27Å; L501-Q503 VanDerWaalsContact C-N 3.32Å; Q503-S506 CarbonylContact O-C 3.44Å; Q503-S506 WeakPolarHBondContact O-CB 3.41Å; Q503-S506 PolarHBondContact O-N 3.14Å; Q503-M507 HydrophobicContact CG-CE 4Å; Q503-M507 WeakPolarHBondContact O-CE 3.39Å; Q503-M507 WeakPolarHBondContact O-CG 3.33Å; Q503-M507 PolarHBondContact O-N 2.89Å; Q503-L526 HydrophobicContact CB-CD2 4.36Å; Q503-L526 HydrophobicContact CG-CD2 3.89Å
504M81.9Confident79.4Confident0 Ų090.8 Ų90.80%045%0.448CS..Hα-helixtrans-63.5-40.7173.2-70.5176.58300112.1E500 L501 S506 M507 G508 F509 N515 L519 L526 A529 L530 L533E500-M504 WeakPolarHBondContact O-CB 3.49Å; E500-M504 VanDerWaalsContact O-CG 3.27Å; E500-M504 WeakPolarHBondContact O-CG 3.22Å; E500-M504 PolarHBondContact O-N 3.29Å; L501-M504 PolarHBondContact O-N 3.2Å; M504-S506 VanDerWaalsContact C-N 3.31Å; M504-S506 PolarHBondContact O-N 3.18Å; M504-M507 HydrophobicContact CG-CE 4.1Å; M504-M507 CarbonylContact O-C 3.58Å; M504-M507 WeakPolarHBondContact O-CA 3.45Å; M504-M507 WeakPolarHBondContact O-CB 3.47Å; M504-M507 PolarHBondContact O-N 2.92Å; M504-M507 VanDerWaalsContact O-N 3.09Å; M504-G508 PolarHBondContact O-N 3.15Å; M504-G508 VanDerWaalsContact O-N 3.09Å; M504-F509 HydrophobicContact CB-CB 4.2Å; M504-F509 WeakPolarHBondContact O-CB 3.38Å; M504-F509 PolarHBondContact O-N 3.19Å; M504-N515 HydrophobicContact CE-CB 3.89Å; M504-N515 HydrophobicContact SD-CB 3.95Å; M504-L519 HydrophobicContact SD-CD1 3.62Å; M504-L519 HydrophobicContact SD-CD2 4.13Å; M504-L519 HydrophobicContact SD-CG 3.79Å; M504-L526 HydrophobicContact CG-CD1 3.28Å; M504-L526 HydrophobicContact SD-CD1 3.88Å; M504-A529 HydrophobicContact CE-CB 4.18Å; M504-A529 HydrophobicContact SD-CB 4.43Å; M504-L530 HydrophobicContact CE-CD2 4.12Å; M504-L530 HydrophobicContact CG-CD2 4.3Å; M504-L533 HydrophobicContact CE-CD1 3.07Å
505N84Confident80.7Confident91 Ų9188.7 Ų88.749%0.48744%0.438SS..Hα-helixtrans-64.4-38174.6-161.44.9000111.5L501 Q502 M507 G508 F509L501-N505 VanDerWaalsContact O-CB 3.31Å; L501-N505 WeakPolarHBondContact O-CB 3.26Å; L501-N505 PolarHBondContact O-N 3.36Å; Q502-N505 PolarHBondContact O-N 2.95Å; N505-M507 VanDerWaalsContact C-N 3.29Å; N505-M507 PolarHBondContact O-N 2.89Å; N505-G508 PolarHBondContact O-N 3.28Å; N505-G508 VanDerWaalsContact O-N 3.08Å; N505-F509 WeakPolarHBondContact CA-O 3.38Å
506S85.2Confident81.7Confident100 Ų10082.3 Ų82.370%0.69941%0.409SS*.Hα-helixtrans-65.9-30.7172.3-58.10000112.7Q502 Q503 M504 G508Q502-S506 WeakPolarHBondContact O-CB 3.28Å; Q502-S506 PolarHBondContact O-N 3.46Å; Q502-S506 PolarHBondContact O-OG 2.74Å; Q503-S506 CarbonylContact O-C 3.44Å; Q503-S506 WeakPolarHBondContact O-CB 3.41Å; Q503-S506 PolarHBondContact O-N 3.14Å; M504-S506 VanDerWaalsContact C-N 3.31Å; M504-S506 PolarHBondContact O-N 3.18Å; S506-G508 PolarHBondContact O-N 3.04Å
507M78.3Confident82.2Confident79 Ų7981.4 Ų81.439%0.38940%0.4SS..THydrogen-bonded Turntrans-79.9-2.9173.2-70.7-176.2-69.700113.4Q503 M504 N505 F509 L526 L530Q503-M507 HydrophobicContact CG-CE 4Å; Q503-M507 WeakPolarHBondContact O-CE 3.39Å; Q503-M507 WeakPolarHBondContact O-CG 3.33Å; Q503-M507 PolarHBondContact O-N 2.89Å; M504-M507 HydrophobicContact CG-CE 4.1Å; M504-M507 CarbonylContact O-C 3.58Å; M504-M507 WeakPolarHBondContact O-CA 3.45Å; M504-M507 WeakPolarHBondContact O-CB 3.47Å; M504-M507 PolarHBondContact O-N 2.92Å; M504-M507 VanDerWaalsContact O-N 3.09Å; N505-M507 VanDerWaalsContact C-N 3.29Å; N505-M507 PolarHBondContact O-N 2.89Å; M507-F509 HydrophobicContact CB-CD2 4.14Å; M507-F509 HydrophobicContact CB-CE2 4.43Å; M507-L526 HydrophobicContact CE-CD1 3.82Å; M507-L526 HydrophobicContact CE-CD2 3.94Å; M507-L526 HydrophobicContact CE-CG 4.07Å; M507-L530 HydrophobicContact CE-CD1 3.66Å; M507-L530 HydrophobicContact CE-CD2 3.99Å; M507-L530 HydrophobicContact CE-CG 4.28Å; M507-L530 HydrophobicContact SD-CD1 3.94Å
508G79.3Confident82.4Confident51 Ų5179.9 Ų79.953%0.52640%0.395SS..THydrogen-bonded Turntrans97.53.3174.400000114.8M504 N505 S506 R510M504-G508 PolarHBondContact O-N 3.15Å; M504-G508 VanDerWaalsContact O-N 3.09Å; N505-G508 PolarHBondContact O-N 3.28Å; N505-G508 VanDerWaalsContact O-N 3.08Å; S506-G508 PolarHBondContact O-N 3.04Å; G508-R510 PolarHBondContact O-N 2.71Å
509F80.1Confident82.6Confident64 Ų6476 Ų7628%0.28138%0.377SS..  trans-81.793.3170.7-64.1-94000108.7M504 N505 M507 N515 L530 L533M504-F509 HydrophobicContact CB-CB 4.2Å; M504-F509 WeakPolarHBondContact O-CB 3.38Å; M504-F509 PolarHBondContact O-N 3.19Å; N505-F509 WeakPolarHBondContact CA-O 3.38Å; M507-F509 HydrophobicContact CB-CD2 4.14Å; M507-F509 HydrophobicContact CB-CE2 4.43Å; F509-N515 WeakPolarHBondContact CB-OD1 3.43Å; F509-N515 PolarHBondContact O-ND2 3.25Å; F509-L530 HydrophobicContact CD2-CD2 3.55Å; F509-L530 HydrophobicContact CE1-CD2 4.4Å; F509-L530 HydrophobicContact CE2-CD2 3.17Å; F509-L530 HydrophobicContact CG-CD2 4.33Å; F509-L530 HydrophobicContact CZ-CD2 3.65Å; F509-L533 HydrophobicContact CD1-CB 4.03Å; F509-L533 HydrophobicContact CD1-CD1 4.28Å; F509-L533 HydrophobicContact CE1-CB 3.77Å
510R80.9Confident82.5Confident211 Ų21171.5 Ų71.580%0.79636%0.357SS*.  trans-85.1-12.1-175.4-67.6178.6176.3166.5-1.6113.9G508 R512G508-R510 PolarHBondContact O-N 2.71Å; R510-R512 PolarHBondContact O-N 3.37Å; R510-R512 VanDerWaalsContact O-N 3.09Å
511D83.9Confident82.3Confident97 Ų9773.2 Ų73.252%0.51937%0.374SS..  trans-80.593.2-179.6-161.8-60.7000110.1K513 A514 N515D511-K513 PolarHBondContact O-N 3Å; D511-K513 PolarHBondContact OD1-N 3.44Å; D511-A514 HydrophobicContact CB-CB 3.97Å; D511-A514 PolarHBondContact O-N 3.31Å; D511-A514 WeakPolarHBondContact OD1-CB 3.37Å; D511-A514 PolarHBondContact OD1-N 3.34Å; D511-N515 WeakPolarHBondContact O-CB 3.25Å; D511-N515 PolarHBondContact O-N 2.89Å; D511-N515 PolarHBondContact O-ND2 3.17Å; D511-N515 PolarHBondContact O-OD1 3.06Å
512R79.9Confident82.3Confident127 Ų12774.2 Ų74.248%0.47938%0.382SS..Hα-helixtrans-59.5-34.1-175.6-154.5178.4-175.6-160.2-5.4112E494 L501 R510 L516E494-R512 IonicContact OE1-CZ 3.89Å; E494-R512 IonicContact OE1-NE 3.26Å; E494-R512 PolarHBondContact OE1-NE 3.41Å; E494-R512 IonicContact OE1-NH1 2.66Å; E494-R512 PolarHBondContact OE1-NH1 3.2Å; E494-R512 IonicContact OE1-NH2 2.87Å; E494-R512 PolarHBondContact OE1-NH2 3.32Å; L501-R512 HydrophobicContact CD2-CB 4.33Å; L501-R512 HydrophobicContact CD2-CG 3.39Å; L501-R512 WeakPolarHBondContact CD2-O 3.33Å; R510-R512 PolarHBondContact O-N 3.37Å; R510-R512 VanDerWaalsContact O-N 3.09Å; R512-L516 WeakPolarHBondContact O-CB 3.34Å; R512-L516 PolarHBondContact O-N 2.9Å
513K82.6Confident82.2Confident155 Ų15571.2 Ų71.267%0.67439%0.386SS*.Hα-helixtrans-75.5-44.1-177.7-173175.5179.3178.40111.7D511 N515 Q517D511-K513 PolarHBondContact O-N 3Å; D511-K513 PolarHBondContact OD1-N 3.44Å; K513-N515 VanDerWaalsContact C-N 3.34Å; K513-Q517 WeakPolarHBondContact O-CB 3.22Å; K513-Q517 PolarHBondContact O-N 2.73Å
514A81.4Confident81.9Confident33 Ų3366.9 Ų66.927%0.27337%0.369SS..Hα-helixtrans-66.3-38.617500000111.5D511 Q517 A518 L533D511-A514 HydrophobicContact CB-CB 3.97Å; D511-A514 PolarHBondContact O-N 3.31Å; D511-A514 WeakPolarHBondContact OD1-CB 3.37Å; D511-A514 PolarHBondContact OD1-N 3.34Å; A514-Q517 PolarHBondContact O-N 3.4Å; A514-A518 WeakPolarHBondContact O-CB 3.49Å; A514-A518 PolarHBondContact O-N 3.49Å; A514-L533 HydrophobicContact CB-CD2 3.68Å
515N84.8Confident81.9Confident3 Ų370.6 Ų70.62%0.01639%0.389CS..Hα-helixtrans-62.5-49.5175.4-67.3-4.2000112.6L501 M504 F509 D511 K513 Q517 A518 L519 L533L501-N515 HydrophobicContact CD2-CB 3.75Å; L501-N515 HydrophobicContact CG-CB 4.43Å; M504-N515 HydrophobicContact CE-CB 3.89Å; M504-N515 HydrophobicContact SD-CB 3.95Å; F509-N515 WeakPolarHBondContact CB-OD1 3.43Å; F509-N515 PolarHBondContact O-ND2 3.25Å; D511-N515 WeakPolarHBondContact O-CB 3.25Å; D511-N515 PolarHBondContact O-N 2.89Å; D511-N515 PolarHBondContact O-ND2 3.17Å; D511-N515 PolarHBondContact O-OD1 3.06Å; K513-N515 VanDerWaalsContact C-N 3.34Å; N515-Q517 VanDerWaalsContact C-N 3.3Å; N515-Q517 PolarHBondContact O-N 2.79Å; N515-A518 PolarHBondContact O-N 3.04Å; N515-L519 WeakPolarHBondContact O-CB 3.01Å; N515-L519 WeakPolarHBondContact O-CG 3.39Å; N515-L519 PolarHBondContact O-N 2.99Å; N515-L533 WeakPolarHBondContact OD1-CD1 3.17Å
516L84.8Confident81.8Confident21 Ų2167.8 Ų67.811%0.1137%0.374CS..Hα-helixtrans-58.1-46.1176.1-173.582.5000110.2E494 L501 R512 A518 L519 I520E494-L516 HydrophobicContact CB-CD1 3.87Å; E494-L516 HydrophobicContact CG-CD1 4.06Å; L501-L516 HydrophobicContact CD1-CB 4.22Å; L501-L516 HydrophobicContact CD1-CD1 3.53Å; L501-L516 HydrophobicContact CD1-CG 4.5Å; R512-L516 WeakPolarHBondContact O-CB 3.34Å; R512-L516 PolarHBondContact O-N 2.9Å; L516-A518 VanDerWaalsContact C-N 3.34Å; L516-A518 PolarHBondContact O-N 3.03Å; L516-L519 PolarHBondContact O-N 3.43Å; L516-I520 HydrophobicContact CD2-CD1 4.18Å; L516-I520 HydrophobicContact CG-CD1 3.86Å; L516-I520 VanDerWaalsContact O-CG1 3.22Å; L516-I520 WeakPolarHBondContact O-CG1 3.18Å; L516-I520 PolarHBondContact O-N 2.92Å
517Q82.6Confident81.6Confident111 Ų11167.3 Ų67.352%0.51937%0.37SS..Hα-helixtrans-66.1-34.5-179.8-171.3161.8-14.400113.1K513 A514 N515 S521K513-Q517 WeakPolarHBondContact O-CB 3.22Å; K513-Q517 PolarHBondContact O-N 2.73Å; A514-Q517 PolarHBondContact O-N 3.4Å; N515-Q517 VanDerWaalsContact C-N 3.3Å; N515-Q517 PolarHBondContact O-N 2.79Å; Q517-S521 VanDerWaalsContact O-CB 3.32Å; Q517-S521 WeakPolarHBondContact O-CB 3.4Å; Q517-S521 PolarHBondContact O-N 3.29Å; Q517-S521 PolarHBondContact O-OG 3.44Å
518A82.2Confident81.8Confident6 Ų666.1 Ų66.15%0.0537%0.37CS..Hα-helixtrans-72-35.2173.900000112.4A514 N515 L516 S521 S522 A529 L532 L533A514-A518 WeakPolarHBondContact O-CB 3.49Å; A514-A518 PolarHBondContact O-N 3.49Å; N515-A518 PolarHBondContact O-N 3.04Å; L516-A518 VanDerWaalsContact C-N 3.34Å; L516-A518 PolarHBondContact O-N 3.03Å; A518-S521 PolarHBondContact O-N 3.22Å; A518-S522 WeakPolarHBondContact O-CB 3.42Å; A518-S522 PolarHBondContact O-N 3.15Å; A518-S522 PolarHBondContact O-OG 3.09Å; A518-A529 HydrophobicContact CB-CB 3.97Å; A518-L532 HydrophobicContact CB-CB 4.38Å; A518-L533 HydrophobicContact CB-CD1 3.52Å; A518-L533 HydrophobicContact CB-CD2 4.16Å; A518-L533 HydrophobicContact CB-CG 3.61Å
519L85Confident82Confident0 Ų063.7 Ų63.70%035%0.345CS..Hα-helixtrans-68.1-42.7173.4-74.8164.6000111.4F497 E500 L501 M504 N515 L516 S521 S522 G523 G524 A529F497-L519 HydrophobicContact CB-CD1 4.2Å; F497-L519 HydrophobicContact CG-CB 4.39Å; E500-L519 HydrophobicContact CB-CD1 3.76Å; E500-L519 HydrophobicContact CB-CD2 3.78Å; E500-L519 HydrophobicContact CB-CG 4.46Å; E500-L519 HydrophobicContact CG-CD2 4.02Å; L501-L519 HydrophobicContact CD1-CD1 4.25Å; L501-L519 HydrophobicContact CG-CD1 3.92Å; M504-L519 HydrophobicContact SD-CD1 3.62Å; M504-L519 HydrophobicContact SD-CD2 4.13Å; M504-L519 HydrophobicContact SD-CG 3.79Å; N515-L519 WeakPolarHBondContact O-CB 3.01Å; N515-L519 WeakPolarHBondContact O-CG 3.39Å; N515-L519 PolarHBondContact O-N 2.99Å; L516-L519 PolarHBondContact O-N 3.43Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 2.98Å; L519-S522 WeakPolarHBondContact CA-OG 3.49Å; L519-S522 CarbonylContact O-C 3.49Å; L519-S522 PolarHBondContact O-N 3.45Å; L519-S522 PolarHBondContact O-OG 3.49Å; L519-S522 VanDerWaalsContact O-OG 3.05Å; L519-G523 PolarHBondContact O-N 2.96Å; L519-G524 PolarHBondContact O-N 3.35Å; L519-A529 HydrophobicContact CD2-CB 3.72Å; L519-A529 HydrophobicContact CG-CB 3.95Å
520I83.4Confident82.1Confident61 Ų6162.4 Ų62.431%0.31334%0.341SS..Hα-helixtrans-61.4-44.4172.9-65.8163.3000110.4F497 L516 S522 G523F497-I520 HydrophobicContact CE2-CG1 4.45Å; L516-I520 HydrophobicContact CD2-CD1 4.18Å; L516-I520 HydrophobicContact CG-CD1 3.86Å; L516-I520 VanDerWaalsContact O-CG1 3.22Å; L516-I520 WeakPolarHBondContact O-CG1 3.18Å; L516-I520 PolarHBondContact O-N 2.92Å; I520-S522 VanDerWaalsContact C-N 3.25Å; I520-S522 PolarHBondContact O-N 3.37Å; I520-G523 PolarHBondContact O-N 2.9Å
521S80.4Confident82.1Confident87 Ų8759.7 Ų59.761%0.60834%0.337SS*.Hα-helixtrans-67.3-25.8179.6-58.30000113.4Q517 A518 L519Q517-S521 VanDerWaalsContact O-CB 3.32Å; Q517-S521 WeakPolarHBondContact O-CB 3.4Å; Q517-S521 PolarHBondContact O-N 3.29Å; Q517-S521 PolarHBondContact O-OG 3.44Å; A518-S521 PolarHBondContact O-N 3.22Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 2.98Å
522S82.9Confident81.8Confident27 Ų2760.2 Ų60.219%0.18934%0.339CS..THydrogen-bonded Turntrans-96.51176.8550000113.6A518 L519 I520 G524 D525 A529A518-S522 WeakPolarHBondContact O-CB 3.42Å; A518-S522 PolarHBondContact O-N 3.15Å; A518-S522 PolarHBondContact O-OG 3.09Å; L519-S522 WeakPolarHBondContact CA-OG 3.49Å; L519-S522 CarbonylContact O-C 3.49Å; L519-S522 PolarHBondContact O-N 3.45Å; L519-S522 PolarHBondContact O-OG 3.49Å; L519-S522 VanDerWaalsContact O-OG 3.05Å; I520-S522 VanDerWaalsContact C-N 3.25Å; I520-S522 PolarHBondContact O-N 3.37Å; S522-G524 VanDerWaalsContact C-N 3.29Å; S522-G524 PolarHBondContact O-N 3.3Å; S522-D525 PolarHBondContact O-N 3.43Å; S522-D525 PolarHBondContact OG-O 3.11Å; S522-A529 WeakPolarHBondContact OG-CB 3.43Å
523G80.8Confident81.7Confident68 Ų6856.2 Ų56.270%0.70133%0.327SS*.THydrogen-bonded Turntrans64.930-17800000113.9L519 I520L519-G523 PolarHBondContact O-N 2.96Å; I520-G523 PolarHBondContact O-N 2.9Å
524G75.6Confident81.3Confident12 Ų1251.5 Ų51.512%0.12431%0.314CS..THydrogen-bonded Turntrans94.2-1-178.600000115.3L519 S522 L526L519-G524 PolarHBondContact O-N 3.35Å; S522-G524 VanDerWaalsContact C-N 3.29Å; S522-G524 PolarHBondContact O-N 3.3Å; G524-L526 PolarHBondContact O-N 3.5Å
525D82.7Confident80.1Confident79 Ų7958.5 Ų58.542%0.42236%0.357SS..  trans-81.3107.1-179.8-172.7-92.4000112S522 S527 S528 A529S522-D525 PolarHBondContact O-N 3.43Å; S522-D525 PolarHBondContact OG-O 3.11Å; D525-S527 VanDerWaalsContact C-N 3.26Å; D525-S527 PolarHBondContact O-N 2.95Å; D525-S527 PolarHBondContact OD1-N 3.41Å; D525-S528 PolarHBondContact O-N 2.65Å; D525-S528 VanDerWaalsContact OD1-CB 3.25Å; D525-S528 WeakPolarHBondContact OD1-CB 3.36Å; D525-S528 PolarHBondContact OD1-N 3.48Å; D525-S528 PolarHBondContact OD1-OG 3.32Å; D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.03Å
526L80.4Confident79.9Confident31 Ų3161.3 Ų61.316%0.16237%0.374CS..Hα-helixtrans-53.2-39.4-180-175.665.9000113.3E500 Q503 M504 M507 G524 L530E500-L526 HydrophobicContact CB-CD1 4.27Å; E500-L526 HydrophobicContact CG-CB 4.07Å; E500-L526 HydrophobicContact CG-CD1 4.19Å; Q503-L526 HydrophobicContact CB-CD2 4.36Å; Q503-L526 HydrophobicContact CG-CD2 3.89Å; M504-L526 HydrophobicContact CG-CD1 3.28Å; M504-L526 HydrophobicContact SD-CD1 3.88Å; M507-L526 HydrophobicContact CE-CD1 3.82Å; M507-L526 HydrophobicContact CE-CD2 3.94Å; M507-L526 HydrophobicContact CE-CG 4.07Å; G524-L526 PolarHBondContact O-N 3.5Å; L526-L530 HydrophobicContact CG-CD1 4.18Å; L526-L530 WeakPolarHBondContact O-CB 3.26Å; L526-L530 WeakPolarHBondContact O-CD1 3.43Å; L526-L530 WeakPolarHBondContact O-CG 3.48Å; L526-L530 PolarHBondContact O-N 3.42Å
527S80.9Confident79.6Confident90 Ų9063.4 Ų63.463%0.62939%0.387SS*.Hα-helixtrans-72.2-38.6-176.2-169.40000111.6D525 H531D525-S527 VanDerWaalsContact C-N 3.26Å; D525-S527 PolarHBondContact O-N 2.95Å; D525-S527 PolarHBondContact OD1-N 3.41Å; S527-H531 PolarHBondContact O-N 3.21Å
528S83.4Confident79.4Confident55 Ų5560.8 Ų60.839%0.38538%0.38SS..Hα-helixtrans-70.3-41.9175.9-58.60000111.3D525 L530 H531 L532D525-S528 PolarHBondContact O-N 2.65Å; D525-S528 VanDerWaalsContact OD1-CB 3.25Å; D525-S528 WeakPolarHBondContact OD1-CB 3.36Å; D525-S528 PolarHBondContact OD1-N 3.48Å; D525-S528 PolarHBondContact OD1-OG 3.32Å; S528-L530 VanDerWaalsContact C-N 3.35Å; S528-L530 PolarHBondContact O-N 2.77Å; S528-H531 WeakPolarHBondContact O-CB 3.48Å; S528-H531 PolarHBondContact O-N 2.64Å; S528-H531 VanDerWaalsContact O-N 3.16Å; S528-L532 PolarHBondContact O-N 2.98Å; S528-L532 VanDerWaalsContact O-N 3.07Å
529A83.1Confident79.3Confident0 Ų064 Ų640%040%0.4CS..Hα-helixtrans-59.5-43.7174.100000112.1M504 A518 L519 S522 D525 H531 L532 L533M504-A529 HydrophobicContact CE-CB 4.18Å; M504-A529 HydrophobicContact SD-CB 4.43Å; A518-A529 HydrophobicContact CB-CB 3.97Å; L519-A529 HydrophobicContact CD2-CB 3.72Å; L519-A529 HydrophobicContact CG-CB 3.95Å; S522-A529 WeakPolarHBondContact OG-CB 3.43Å; D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.03Å; A529-H531 VanDerWaalsContact C-N 3.29Å; A529-H531 PolarHBondContact O-N 3.26Å; A529-L532 PolarHBondContact O-N 2.9Å; A529-L533 PolarHBondContact O-N 3.42Å; A529-L533 VanDerWaalsContact O-N 3.11Å
530L81.2Confident78.9Confident37 Ų3768 Ų6819%0.19443%0.425CS..Hα-helixtrans-64.2-33.7175.9-72.2168.8000112.7M504 M507 F509 L526 S528 L532 L533 S534M504-L530 HydrophobicContact CE-CD2 4.12Å; M504-L530 HydrophobicContact CG-CD2 4.3Å; M507-L530 HydrophobicContact CE-CD1 3.66Å; M507-L530 HydrophobicContact CE-CD2 3.99Å; M507-L530 HydrophobicContact CE-CG 4.28Å; M507-L530 HydrophobicContact SD-CD1 3.94Å; F509-L530 HydrophobicContact CD2-CD2 3.55Å; F509-L530 HydrophobicContact CE1-CD2 4.4Å; F509-L530 HydrophobicContact CE2-CD2 3.17Å; F509-L530 HydrophobicContact CG-CD2 4.33Å; F509-L530 HydrophobicContact CZ-CD2 3.65Å; L526-L530 HydrophobicContact CG-CD1 4.18Å; L526-L530 WeakPolarHBondContact O-CB 3.26Å; L526-L530 WeakPolarHBondContact O-CD1 3.43Å; L526-L530 WeakPolarHBondContact O-CG 3.48Å; L526-L530 PolarHBondContact O-N 3.42Å; S528-L530 VanDerWaalsContact C-N 3.35Å; S528-L530 PolarHBondContact O-N 2.77Å; L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L533 PolarHBondContact O-N 3.44Å; L530-S534 WeakPolarHBondContact O-CB 3.24Å; L530-S534 PolarHBondContact O-N 3.35Å
531H81.6Confident78.6Confident154 Ų15468.5 Ų68.571%0.71343%0.432SS*.Hα-helixtrans-69.9-32.8176-163.6-101.4000112S527 S528 A529S527-H531 PolarHBondContact O-N 3.21Å; S528-H531 WeakPolarHBondContact O-CB 3.48Å; S528-H531 PolarHBondContact O-N 2.64Å; S528-H531 VanDerWaalsContact O-N 3.16Å; A529-H531 VanDerWaalsContact C-N 3.29Å; A529-H531 PolarHBondContact O-N 3.26Å
532L78.5Confident78.5Confident107 Ų10767.1 Ų67.156%0.5642%0.419SS*.Hα-helixtrans-73.3-29.2175.2-74.1166.5000113.3A518 S528 A529 L530A518-L532 HydrophobicContact CB-CB 4.38Å; S528-L532 PolarHBondContact O-N 2.98Å; S528-L532 VanDerWaalsContact O-N 3.07Å; A529-L532 PolarHBondContact O-N 2.9Å; L530-L532 VanDerWaalsContact C-N 3.34Å
533L77.3Confident78.1Confident43 Ų4370.2 Ų70.223%0.22544%0.437CS..Hα-helixtrans-91.2-9.8177.8-69.6161000113.5M504 F509 A514 N515 A518 A529 L530M504-L533 HydrophobicContact CE-CD1 3.07Å; F509-L533 HydrophobicContact CD1-CB 4.03Å; F509-L533 HydrophobicContact CD1-CD1 4.28Å; F509-L533 HydrophobicContact CE1-CB 3.77Å; A514-L533 HydrophobicContact CB-CD2 3.68Å; N515-L533 WeakPolarHBondContact OD1-CD1 3.17Å; A518-L533 HydrophobicContact CB-CD1 3.52Å; A518-L533 HydrophobicContact CB-CD2 4.16Å; A518-L533 HydrophobicContact CB-CG 3.61Å; A529-L533 PolarHBondContact O-N 3.42Å; A529-L533 VanDerWaalsContact O-N 3.11Å; L530-L533 PolarHBondContact O-N 3.44Å
534S73.2Confident77.9Confident56 Ų5670.4 Ų70.439%0.39242%0.415SS..  trans-83.9120.5169.9-1740000108.4L530L530-S534 WeakPolarHBondContact O-CB 3.24Å; L530-S534 PolarHBondContact O-N 3.35Å
535P57.1Low78.1Confident181 Ų18175.7 Ų75.7100%1.17544%0.442SS*.  trans-67.30173.929.8-35.3000112.9

Retrieved 535 of 535 residues in 174.4 ms (Link to these results)