A0A077Z286_TRITR Loading...

Transcription factor BTF3 4

AlphaFold DB , UniProt , Accession A0A077Z286, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 666 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
1M43.9Very low61.6Low241 Ų241126.8 Ų126.8100%1.18764%0.644SS**  098.20-79.7174.7164.900107.7L3M1-L3 PolarHBondContact O-N 2.95Å
2A45.1Very low62.6Low89 Ų89121.1 Ų121.174%0.73663%0.631SS**  trans-9485.6-164.600000110.9
3L53.3Low63.9Low138 Ų138123.2 Ų123.272%0.72363%0.627SS**SBendtrans-93.25176.4-74.5169000113.5M1M1-L3 PolarHBondContact O-N 2.95Å
4Y47Very low65Low215 Ų215123.7 Ų123.784%0.84363%0.626SS**  trans-137.541.1-173.5-69.1-83.7000112.4
5S53.6Low65.5Low39 Ų39123.7 Ų123.727%0.27362%0.623SS.*  trans-71.1143.2165.765.70000109.2E7 N8S5-E7 PolarHBondContact O-N 3.28Å; S5-E7 VanDerWaalsContact O-N 3.16Å; S5-N8 PolarHBondContact O-N 3.32Å; S5-N8 VanDerWaalsContact O-N 3.08Å; S5-N8 PolarHBondContact OG-N 3.28Å
6K70.7Confident65.6Low161 Ų161119.3 Ų119.370%0.761%0.606SS**Hα-helixtrans-54.6-31.8176.8-174.3-177.7174.3-61.70111.9V9 D10K6-V9 PolarHBondContact O-N 3.25Å; K6-D10 IonicContact NZ-OD2 3.6Å; K6-D10 PolarHBondContact NZ-OD2 3.25Å; K6-D10 PolarHBondContact O-N 3.21Å
7E68.9Low65.8Low152 Ų152117.4 Ų117.471%0.7160%0.598SS**Hα-helixtrans-65.5-40.7177.7-68.4154.7-177.400112.4S5 V9 D10 E11S5-E7 PolarHBondContact O-N 3.28Å; S5-E7 VanDerWaalsContact O-N 3.16Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 3.23Å; E7-D10 PolarHBondContact O-N 3.33Å; E7-E11 WeakPolarHBondContact O-CB 3Å; E7-E11 PolarHBondContact O-N 3.39Å
8N72Confident66Low84 Ų84116.3 Ų116.345%0.44960%0.597SS.*Hα-helixtrans-66.2-31.6177.7-100.334.7000113S5 A12S5-N8 PolarHBondContact O-N 3.32Å; S5-N8 VanDerWaalsContact O-N 3.08Å; S5-N8 PolarHBondContact OG-N 3.28Å; N8-A12 WeakPolarHBondContact O-CB 3.5Å; N8-A12 PolarHBondContact O-N 3.43Å; N8-A12 VanDerWaalsContact O-N 3.14Å
9V70.3Confident65.6Low91 Ų91113.6 Ų113.655%0.55259%0.594SS**Hα-helixtrans-75.6-39.8178.6-179.10000110.7K6 E7 Y13K6-V9 PolarHBondContact O-N 3.25Å; E7-V9 VanDerWaalsContact C-N 3.3Å; E7-V9 PolarHBondContact O-N 3.23Å; V9-Y13 WeakPolarHBondContact O-CB 3.48Å; V9-Y13 PolarHBondContact O-N 3.04Å; V9-Y13 VanDerWaalsContact O-N 3.08Å
10D75.9Confident64.9Low76 Ų76114.2 Ų114.241%0.40660%0.597SS.*Hα-helixtrans-68.4-36176.9-75.9-29.9000111.2K6 E7 Y13 Q14K6-D10 IonicContact NZ-OD2 3.6Å; K6-D10 PolarHBondContact NZ-OD2 3.25Å; K6-D10 PolarHBondContact O-N 3.21Å; E7-D10 PolarHBondContact O-N 3.33Å; D10-Y13 PolarHBondContact O-N 3.36Å; D10-Q14 WeakPolarHBondContact O-CG 3.28Å; D10-Q14 PolarHBondContact O-N 3.12Å; D10-Q14 VanDerWaalsContact O-N 3.11Å
11E76.9Confident64.2Low109 Ų109112.1 Ų112.151%0.50960%0.597SS.*Hα-helixtrans-70-42.6175.6-167.1174-172.100112.7E7 Y13 Q14 Q15E7-E11 WeakPolarHBondContact O-CB 3Å; E7-E11 PolarHBondContact O-N 3.39Å; E11-Y13 VanDerWaalsContact C-N 3.3Å; E11-Y13 PolarHBondContact O-N 3.3Å; E11-Q14 PolarHBondContact O-N 3.49Å; E11-Q15 WeakPolarHBondContact O-CG 3.49Å; E11-Q15 PolarHBondContact O-N 3.04Å
12A73.5Confident64.5Low58 Ų58105.4 Ų105.448%0.47957%0.573SS.*Hα-helixtrans-63.6-35.4174.900000112.4N8 S16N8-A12 WeakPolarHBondContact O-CB 3.5Å; N8-A12 PolarHBondContact O-N 3.43Å; N8-A12 VanDerWaalsContact O-N 3.14Å; A12-S16 PolarHBondContact O-N 3.45Å; A12-S16 VanDerWaalsContact O-N 3.12Å
13Y79Confident64.2Low148 Ų148106.5 Ų106.558%0.5857%0.571SS**Hα-helixtrans-67.3-43175-175.1-105.7000111.8V9 D10 E11 S16 L17V9-Y13 WeakPolarHBondContact O-CB 3.48Å; V9-Y13 PolarHBondContact O-N 3.04Å; V9-Y13 VanDerWaalsContact O-N 3.08Å; D10-Y13 PolarHBondContact O-N 3.36Å; E11-Y13 VanDerWaalsContact C-N 3.3Å; E11-Y13 PolarHBondContact O-N 3.3Å; Y13-S16 PolarHBondContact O-N 3Å; Y13-S16 PolarHBondContact O-OG 3.45Å; Y13-L17 HydrophobicContact CD1-CD1 4.03Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.42Å; Y13-L17 PolarHBondContact O-N 2.96Å
14Q79.2Confident63.3Low131 Ų131109.4 Ų109.461%0.61258%0.578SS**Hα-helixtrans-65.4-40.9175.7-72.6-174.117.900112.6D10 E11 S16 L17 V18D10-Q14 WeakPolarHBondContact O-CG 3.28Å; D10-Q14 PolarHBondContact O-N 3.12Å; D10-Q14 VanDerWaalsContact O-N 3.11Å; E11-Q14 PolarHBondContact O-N 3.49Å; Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.25Å; Q14-L17 PolarHBondContact O-N 3.47Å; Q14-L17 VanDerWaalsContact O-N 3.17Å; Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 3.28Å
15Q73.3Confident63Low124 Ų124104.6 Ų104.658%0.57958%0.576SS**Hα-helixtrans-61.3-35.9175-72.8-178.31000112.2E11 V18 A19E11-Q15 WeakPolarHBondContact O-CG 3.49Å; E11-Q15 PolarHBondContact O-N 3.04Å; Q15-V18 PolarHBondContact O-N 3.4Å; Q15-A19 WeakPolarHBondContact O-CB 3.47Å; Q15-A19 PolarHBondContact O-N 3.4Å
16S67.4Low61.9Low52 Ų52108.4 Ų108.436%0.36460%0.602SS.*Hα-helixtrans-68-34.1175.577.90000113.4A12 Y13 Q14 L20A12-S16 PolarHBondContact O-N 3.45Å; A12-S16 VanDerWaalsContact O-N 3.12Å; Y13-S16 PolarHBondContact O-N 3Å; Y13-S16 PolarHBondContact O-OG 3.45Å; Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.25Å; S16-L20 WeakPolarHBondContact O-CG 3.47Å; S16-L20 PolarHBondContact O-N 3.48Å; S16-L20 VanDerWaalsContact O-N 3.13Å
17L69.3Low60.1Low87 Ų87105.9 Ų105.946%0.45561%0.605SS.*Hα-helixtrans-72.1-36.5175.8-74171.9000112.2Y13 Q14 L20 A21Y13-L17 HydrophobicContact CD1-CD1 4.03Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.42Å; Y13-L17 PolarHBondContact O-N 2.96Å; Q14-L17 PolarHBondContact O-N 3.47Å; Q14-L17 VanDerWaalsContact O-N 3.17Å; L17-L20 PolarHBondContact O-N 3.02Å; L17-A21 WeakPolarHBondContact O-CB 3.37Å; L17-A21 PolarHBondContact O-N 3.21Å
18V69.2Low58.7Low98 Ų98104.5 Ų104.559%0.59461%0.609SS**Hα-helixtrans-69.2-38.2174.8175.90000111.2Q14 Q15 L20 A21 S22Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 3.28Å; Q15-V18 PolarHBondContact O-N 3.4Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 2.97Å; V18-A21 PolarHBondContact O-N 3.34Å; V18-S22 PolarHBondContact O-N 2.79Å
19A57.9Low56.7Low65 Ų65106 Ų10654%0.53763%0.626SS.*Hα-helixtrans-65-34.8174.800000112.8Q15Q15-A19 WeakPolarHBondContact O-CB 3.47Å; Q15-A19 PolarHBondContact O-N 3.4Å
20L51.8Low55.1Low125 Ų125107.8 Ų107.865%0.65464%0.64SS**Hα-helixtrans-77-28.3175.3-73.7166000112.9S16 L17 V18 T23S16-L20 WeakPolarHBondContact O-CG 3.47Å; S16-L20 PolarHBondContact O-N 3.48Å; S16-L20 VanDerWaalsContact O-N 3.13Å; L17-L20 PolarHBondContact O-N 3.02Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 2.97Å; L20-T23 PolarHBondContact O-OG1 3.12Å
21A51Low53Low71 Ų71109.7 Ų109.759%0.58766%0.659SS**Hα-helixtrans-75-25.1177.700000113.6L17 V18 T23L17-A21 WeakPolarHBondContact O-CB 3.37Å; L17-A21 PolarHBondContact O-N 3.21Å; V18-A21 PolarHBondContact O-N 3.34Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.2Å
22S48.8Very low50.9Low100 Ų100111.7 Ų111.770%0.69968%0.679SS**THydrogen-bonded Turntrans-82.43.3-179.5-73.70000115.2V18V18-S22 PolarHBondContact O-N 2.79Å
23T38.9Very low48.9Very low112 Ų112112.2 Ų112.269%0.68769%0.689SS**  trans-106.248.7174.656.90000111.9L20 A21L20-T23 PolarHBondContact O-OG1 3.12Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.2Å
24K35Very low46.8Very low200 Ų200114.2 Ų114.287%0.8770%0.701SS**  trans-120.567.4167-90.8-176.7174.4179.40109.9S26K24-S26 PolarHBondContact O-N 2.97Å
25S40Very low44.6Very low114 Ų114115 Ų11580%0.79772%0.715SS**  trans-84.298.8164.1620000109.3
26S32.2Very low42.6Very low118 Ų118116.6 Ų116.683%0.82572%0.722SS**  trans11.9104.9146.3-162.50000117K24K24-S26 PolarHBondContact O-N 2.97Å
27S32.7Very low40.9Very low109 Ų109120.2 Ų120.276%0.76274%0.743SS**PPolyproline II helixtrans-89.1129164.159.20000110.2
28P38.7Very low39.1Very low123 Ų123126.1 Ų126.180%0.79976%0.76SS**PPolyproline II helixtrans-79140.3171.631.4-29.6000111
29S29.6Very low37.4Very low115 Ų115132.5 Ų132.580%0.80477%0.774SS**PPolyproline II helixtrans-57.3139.4-179.7-58.40000113.4S31S29-S31 PolarHBondContact O-N 3.44Å
30P36.9Very low36.4Very low129 Ų129136.9 Ų136.984%0.83879%0.787SS**PPolyproline II helixtrans-81.3121.5178.531-30.3000111
31S31.7Very low35.5Very low115 Ų115138.8 Ų138.880%0.80480%0.797SS**PPolyproline II helixtrans-77.3137.1168.871.50000110.7S29 G33S29-S31 PolarHBondContact O-N 3.44Å; S31-G33 PolarHBondContact O-N 3.28Å
32V33.2Very low34.8Very low152 Ų152144.1 Ų144.192%0.92181%0.809SS**SBendtrans-48.1126.6174.8-179.40000112.2
33G30.6Very low34Very low68 Ų68144.5 Ų144.570%0.70181%0.812SS**SBendtrans113.425.6148.600000120.4S31S31-G33 PolarHBondContact O-N 3.28Å
34K36.8Very low33.7Very low190 Ų190147.8 Ų147.883%0.82682%0.82SS**  trans-141.1123.4170-64.3-175.6-177176.30112.6E36K34-E36 PolarHBondContact O-N 3.43Å
35T31.4Very low33.9Very low149 Ų149146 Ų14691%0.91482%0.82SS**  trans-66.711216739.80000109.3
36E31.9Very low33.5Very low156 Ų156148.8 Ų148.873%0.72983%0.826SS**  trans-118.4112.4179.7-131.7166.6-154.300110.6K34 Y38K34-E36 PolarHBondContact O-N 3.43Å; E36-Y38 PolarHBondContact O-N 3.02Å
37T31.7Very low33.8Very low129 Ų129150.8 Ų150.879%0.79183%0.826SS**  trans-73.4110.9177.1-52.80000109.5R39T37-R39 PolarHBondContact O-N 2.88Å; T37-R39 VanDerWaalsContact O-N 3.11Å
38Y31.5Very low34.3Very low210 Ų210151.5 Ų151.582%0.82483%0.826SS**  trans-73.1102.6173.3-73.2-87.1000110.7E36 L40E36-Y38 PolarHBondContact O-N 3.02Å; Y38-L40 PolarHBondContact O-N 2.96Å
39R33.5Very low34.1Very low233 Ų233151.7 Ų151.788%0.87983%0.828SS**  trans-80.2105.5159.8-76.9-172.1176.6-164.1-0108.5T37 L41T37-R39 PolarHBondContact O-N 2.88Å; T37-R39 VanDerWaalsContact O-N 3.11Å; R39-L41 PolarHBondContact O-N 3.37Å
40L36.8Very low34.6Very low156 Ų156154.9 Ų154.982%0.81783%0.827SS**  trans-76117.8161.7-83.6159000108.6Y38 H42Y38-L40 PolarHBondContact O-N 2.96Å; L40-H42 PolarHBondContact O-N 3.1Å
41L33.2Very low34.6Very low166 Ų166157.6 Ų157.687%0.86983%0.828SS**  trans-61.7117.5170.8-75.9142.3000109.8R39R39-L41 PolarHBondContact O-N 3.37Å
42H36.8Very low34.7Very low182 Ų182157.4 Ų157.484%0.84383%0.827SS**  trans-114.8110.7151.1-73126.6000107.3L40L40-H42 PolarHBondContact O-N 3.1Å
43S31.5Very low34.9Very low108 Ų108155.7 Ų155.776%0.75582%0.816SS**  trans-65131.8167.939.90000110.2
44E32.4Very low35.1Very low182 Ų182163 Ų16385%0.8582%0.823SS**  trans50.688.6149.3-56.4-173.2177.500117.4
45D38.4Very low34.9Very low161 Ų161164.3 Ų164.386%0.86182%0.824SS**  trans-158.8122.8139.6-96.8-31.3000110.9L47D45-L47 PolarHBondContact O-N 3.48Å; D45-L47 VanDerWaalsContact O-N 3.08Å
46N32.4Very low35.5Very low173 Ų173165.6 Ų165.693%0.92582%0.82SS**  trans-7489.5-177.7-79.4-66.6000111.1
47L39.3Very low36.1Very low160 Ų160167 Ų16784%0.83883%0.826SS**  trans-130.2123.5167.2-83.6147.6000110.9D45D45-L47 PolarHBondContact O-N 3.48Å; D45-L47 VanDerWaalsContact O-N 3.08Å
48T41.7Very low36.6Very low125 Ų125164.8 Ų164.877%0.76781%0.814SS**  trans-51.1152-172.547.40000115.9K50T48-K50 PolarHBondContact O-N 3.19Å
49P34.9Very low37.3Very low127 Ų127165 Ų16583%0.82581%0.813SS**  trans-83.8108-163.933.4-32.7000112.3
50K39.6Very low38.4Very low181 Ų181163.4 Ų163.479%0.78782%0.816SS**  trans-136.5135.2158.7-67.7-175.5-179.71780106.4T48T48-K50 PolarHBondContact O-N 3.19Å
51H37.4Very low39.1Very low186 Ų186163.6 Ų163.686%0.86182%0.818SS**  trans85.771.1-170.4-39.2-61.3000114.6
52S33Very low40Very low112 Ų112161.5 Ų161.578%0.78381%0.807SS**  trans-95111.2153.663.30000108.1
53V38.7Very low40.1Very low115 Ų115162.5 Ų162.570%0.69781%0.805SS**  trans-83.9108165.2175.60000105.7Y55V53-Y55 HydrophobicContact CG1-CD2 4.21Å; V53-Y55 HydrophobicContact CG1-CE2 4.03Å
54R34.1Very low41Very low222 Ų222161.2 Ų161.284%0.83880%0.795SS**  trans-86.1115.9165.3-82.1-172.9172.6177.3-1.3107.6E56R54-E56 PolarHBondContact O-N 3.46Å
55Y33.5Very low41.3Very low217 Ų217160.8 Ų160.885%0.85179%0.792SS**  trans-73.9106.7160.4-77.1-89.8000106.9V53V53-Y55 HydrophobicContact CG1-CD2 4.21Å; V53-Y55 HydrophobicContact CG1-CE2 4.03Å
56E42.8Very low41.2Very low176 Ų176163.6 Ų163.682%0.82279%0.792SS**PPolyproline II helixtrans-83.3120.5155.9-79.7-166.3160.300107.4R54 P58R54-E56 PolarHBondContact O-N 3.46Å; E56-P58 WeakPolarHBondContact O-CD 3.48Å
57E44.9Very low41.5Very low185 Ų185163.9 Ų163.986%0.86479%0.788SS**PPolyproline II helixtrans-61118.6171.7-170.1169.9-159.500108.1R59E57-R59 PolarHBondContact O-N 3.48Å
58P43.4Very low41.4Very low83 Ų83158.9 Ų158.954%0.53978%0.775SS.*PPolyproline II helixtrans-64.3130.9-177.1-17.529.5000109.9E56E56-P58 WeakPolarHBondContact O-CD 3.48Å
59R45.2Very low41.2Very low215 Ų215161.9 Ų161.981%0.81178%0.778SS**PPolyproline II helixtrans-60.4145.7160.6-75-175.7172.3123.21.8108E57 D61 D62E57-R59 PolarHBondContact O-N 3.48Å; R59-D61 PolarHBondContact O-N 3.02Å; R59-D62 PolarHBondContact O-N 3Å
60E56.5Low41.6Very low199 Ų199159.8 Ų159.893%0.9376%0.763SS**THydrogen-bonded Turntrans-54.1-2.5-165.7-67168.8151.500116.7
61D52.4Low42.1Very low161 Ų161154.9 Ų154.986%0.86175%0.745SS**THydrogen-bonded Turntrans-125.30.6-177-67.3-44000115.4R59R59-D61 PolarHBondContact O-N 3.02Å
62D51.1Low43Very low121 Ų121150 Ų15065%0.64773%0.73SS**  trans-108.8122.2-178.3-79.5-35.6000112.9R59R59-D62 PolarHBondContact O-N 3Å
63Y40.1Very low44.3Very low203 Ų203151.1 Ų151.180%0.79673%0.727SS**  trans-61.5137.4172-132.1-96000109.7H65Y63-H65 PolarHBondContact O-N 2.68Å; Y63-H65 PolarHBondContact O-ND1 2.67Å
64P48.7Very low45.1Very low82 Ų82152.4 Ų152.453%0.53273%0.729SS.*  trans-58.3104.4-177.822.8-33.1000110.6Y66P64-Y66 PolarHBondContact O-N 3.27Å
65H40.2Very low46.5Very low173 Ų173143.7 Ų143.780%0.80170%0.698SS**  trans-77.4110.3168.9-89.260.8000108.1Y63 Q67Y63-H65 PolarHBondContact O-N 2.68Å; Y63-H65 PolarHBondContact O-ND1 2.67Å; H65-Q67 PolarHBondContact O-N 3.44Å
66Y36.1Very low48.1Very low220 Ų220135.9 Ų135.986%0.86368%0.676SS**  trans-7391.4170.5-79.9-88.1000109.5P64 G68P64-Y66 PolarHBondContact O-N 3.27Å; Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.17Å
67Q38Very low49.6Very low178 Ų178132.9 Ų132.983%0.83267%0.671SS**  trans-87.275.7167.8-161.6137.38.300109.5H65H65-Q67 PolarHBondContact O-N 3.44Å
68G36.7Very low50.6Low56 Ų56127.7 Ų127.758%0.57766%0.655SS**  trans-105.2120.1175.200000111.1Y66 V70Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.17Å; G68-V70 PolarHBondContact O-N 2.89Å; G68-V70 VanDerWaalsContact O-N 3.12Å
69F38.1Very low51.7Low187 Ų187127.8 Ų127.882%0.8265%0.647SS**  trans-69.1104165.1-72.8-87.5000108.6V95F69-V95 HydrophobicContact CE1-CG2 4.03Å
70V44.2Very low52.7Low84 Ų84123.4 Ų123.451%0.50963%0.631SS.*  trans-97.4115.7172.3-176.70000108.1G68 P72 Q75G68-V70 PolarHBondContact O-N 2.89Å; G68-V70 VanDerWaalsContact O-N 3.12Å; V70-P72 WeakPolarHBondContact O-CD 3.39Å; V70-Q75 HydrophobicContact CG1-CG 3.97Å
71D48.9Very low53.1Low78 Ų78122.7 Ų122.742%0.41762%0.62SS.*  trans-57.2119.9172.5-168-25.4000108.9N73 L74D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 WeakPolarHBondContact OD1-CB 3.27Å; D71-N73 PolarHBondContact OD1-N 2.74Å; D71-N73 VanDerWaalsContact OD1-N 3.1Å; D71-N73 PolarHBondContact OD1-ND2 2.79Å; D71-L74 HydrophobicContact CB-CB 4.35Å; D71-L74 HydrophobicContact CB-CD1 4.02Å; D71-L74 HydrophobicContact CB-CG 4.27Å; D71-L74 PolarHBondContact O-N 3.43Å
72P57Low53.7Low83 Ų83119.7 Ų119.754%0.53960%0.603SS.*G310 helixtrans-59.3-18.7-179.121.5-31.6000113.1V70 R80V70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-R80 PolarHBondContact O-NH2 2.91Å; P72-R80 VanDerWaalsContact O-NH2 3.08Å
73N60.8Low54.5Low136 Ų136115.9 Ų115.973%0.72758%0.582SS**G310 helixtrans-80.7-13.9177.7-58.3-47000113.8D71D71-N73 PolarHBondContact O-N 2.93Å; D71-N73 WeakPolarHBondContact OD1-CB 3.27Å; D71-N73 PolarHBondContact OD1-N 2.74Å; D71-N73 VanDerWaalsContact OD1-N 3.1Å; D71-N73 PolarHBondContact OD1-ND2 2.79Å
74L55.4Low55.6Low141 Ų141114 Ų11474%0.73857%0.574SS**G310 helixtrans-109.57.1-177-68.1172000113.6D71 S76D71-L74 HydrophobicContact CB-CB 4.35Å; D71-L74 HydrophobicContact CB-CD1 4.02Å; D71-L74 HydrophobicContact CB-CG 4.27Å; D71-L74 PolarHBondContact O-N 3.43Å; L74-S76 PolarHBondContact O-N 3.46Å
75Q63.1Low56.1Low39 Ų39116.4 Ų116.418%0.18258%0.582CS.*  trans-70.5114.1177-72.1-173.1-9.900111.3V70 F79 R80V70-Q75 HydrophobicContact CG1-CG 3.97Å; Q75-F79 HydrophobicContact CB-CD1 4.39Å; Q75-F79 HydrophobicContact CG-CD1 3.92Å; Q75-F79 HydrophobicContact CG-CE1 4.43Å; Q75-R80 HydrophobicContact CB-CG 4.05Å
76S67Low56.9Low54 Ų54112.3 Ų112.338%0.37857%0.569SS.*  trans-56.3148.6170.963.80000110.9L74 S78 F79 R80L74-S76 PolarHBondContact O-N 3.46Å; S76-S78 PolarHBondContact O-N 3.19Å; S76-S78 VanDerWaalsContact O-N 3.11Å; S76-S78 PolarHBondContact OG-OG 3.23Å; S76-F79 PolarHBondContact O-N 2.73Å; S76-F79 WeakPolarHBondContact OG-CB 3.46Å; S76-F79 PolarHBondContact OG-N 2.99Å; S76-R80 PolarHBondContact O-N 3.27Å; S76-R80 VanDerWaalsContact O-N 3.1Å
77P73.3Confident57.1Low112 Ų112104.5 Ų104.573%0.72756%0.555SS**Hα-helixtrans-54.5-31.3175.6-27.234.8000113.2R81P77-R81 WeakPolarHBondContact O-CB 3.31Å; P77-R81 PolarHBondContact O-N 3.37Å
78S66Low57.5Low76 Ų76100.2 Ų100.253%0.53154%0.541SS..Hα-helixtrans-66.6-40.1173.936.80000112.6S76 R81 L82S76-S78 PolarHBondContact O-N 3.19Å; S76-S78 VanDerWaalsContact O-N 3.11Å; S76-S78 PolarHBondContact OG-OG 3.23Å; S78-R81 PolarHBondContact O-N 2.88Å; S78-L82 PolarHBondContact O-N 3.46Å
79F66.6Low58.2Low86 Ų86102.9 Ų102.938%0.37755%0.546SS..Hα-helixtrans-68.2-41.8175.9-167.2-95.1000112.1Q75 S76 R81 L82 Q83Q75-F79 HydrophobicContact CB-CD1 4.39Å; Q75-F79 HydrophobicContact CG-CD1 3.92Å; Q75-F79 HydrophobicContact CG-CE1 4.43Å; S76-F79 PolarHBondContact O-N 2.73Å; S76-F79 WeakPolarHBondContact OG-CB 3.46Å; S76-F79 PolarHBondContact OG-N 2.99Å; F79-R81 VanDerWaalsContact C-N 3.3Å; F79-R81 PolarHBondContact O-N 2.87Å; F79-L82 WeakPolarHBondContact O-CB 3.42Å; F79-L82 PolarHBondContact O-N 3.44Å; F79-Q83 HydrophobicContact CD1-CG 4.21Å; F79-Q83 HydrophobicContact CE1-CG 3.96Å; F79-Q83 PolarHBondContact O-N 2.92Å
80R65.8Low58.8Low122 Ų12298.1 Ų98.146%0.4653%0.534SS..Hα-helixtrans-60.6-41.5172.2-71.1-175.2-172.9-162.51.8111.4P72 Q75 S76 L82 Q83 Y84P72-R80 PolarHBondContact O-NH2 2.91Å; P72-R80 VanDerWaalsContact O-NH2 3.08Å; Q75-R80 HydrophobicContact CB-CG 4.05Å; S76-R80 PolarHBondContact O-N 3.27Å; S76-R80 VanDerWaalsContact O-N 3.1Å; R80-L82 VanDerWaalsContact C-N 3.33Å; R80-L82 PolarHBondContact O-N 3.42Å; R80-Q83 PolarHBondContact O-N 3.22Å; R80-Y84 WeakPolarHBondContact O-CD2 3.13Å; R80-Y84 PolarHBondContact O-N 3.41Å
81R65.5Low58.7Low184 Ų184101.5 Ų101.569%0.69455%0.549SS*.Hα-helixtrans-62.8-39.3176.2-167.9176.9-174.3-165.61.2112.1P77 S78 F79 Y84 L85P77-R81 WeakPolarHBondContact O-CB 3.31Å; P77-R81 PolarHBondContact O-N 3.37Å; S78-R81 PolarHBondContact O-N 2.88Å; F79-R81 VanDerWaalsContact C-N 3.3Å; F79-R81 PolarHBondContact O-N 2.87Å; R81-Y84 PolarHBondContact O-N 3.03Å; R81-L85 HydrophobicContact CG-CD1 4.25Å; R81-L85 WeakPolarHBondContact O-CG 3.25Å; R81-L85 PolarHBondContact O-N 2.61Å; R81-L85 VanDerWaalsContact O-N 3.09Å
82L64.8Low58.5Low98 Ų98107.2 Ų107.251%0.51357%0.57SS.*Hα-helixtrans-64.1-46.3173.4-87.3157.8000111.6S78 F79 R80 Y84 L85 T86S78-L82 PolarHBondContact O-N 3.46Å; F79-L82 WeakPolarHBondContact O-CB 3.42Å; F79-L82 PolarHBondContact O-N 3.44Å; R80-L82 VanDerWaalsContact C-N 3.33Å; R80-L82 PolarHBondContact O-N 3.42Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 3.2Å; L82-L85 PolarHBondContact O-N 2.87Å; L82-T86 WeakPolarHBondContact O-CG2 3.49Å; L82-T86 PolarHBondContact O-N 2.64Å; L82-T86 PolarHBondContact O-OG1 3.24Å
83Q67.1Low57.5Low42 Ų42111.1 Ų111.120%0.19658%0.581CS.*Hα-helixtrans-57.7-41.5174.8-73.5-174.8-48.400112.6F79 R80 L85 G87 V88F79-Q83 HydrophobicContact CD1-CG 4.21Å; F79-Q83 HydrophobicContact CE1-CG 3.96Å; F79-Q83 PolarHBondContact O-N 2.92Å; R80-Q83 PolarHBondContact O-N 3.22Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.27Å; Q83-G87 PolarHBondContact O-N 3.05Å; Q83-V88 PolarHBondContact O-N 3Å
84Y63.8Low56.1Low164 Ų164113 Ų11364%0.64359%0.586SS**Hα-helixtrans-65-32.3175.2-79.2-62.8000113.4R80 R81 L82R80-Y84 WeakPolarHBondContact O-CD2 3.13Å; R80-Y84 PolarHBondContact O-N 3.41Å; R81-Y84 PolarHBondContact O-N 3.03Å; L82-Y84 VanDerWaalsContact C-N 3.3Å; L82-Y84 PolarHBondContact O-N 3.2Å
85L59Low55.2Low132 Ų132111 Ų11169%0.69158%0.579SS**Hα-helixtrans-81.5-34.1179-75166.4000112.7R81 L82 Q83R81-L85 HydrophobicContact CG-CD1 4.25Å; R81-L85 WeakPolarHBondContact O-CG 3.25Å; R81-L85 PolarHBondContact O-N 2.61Å; R81-L85 VanDerWaalsContact O-N 3.09Å; L82-L85 PolarHBondContact O-N 2.87Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.27Å
86T57.3Low53.5Low86 Ų86117.8 Ų117.853%0.52861%0.611SS.*Hα-helixtrans-93.5-11.9-176.759.70000113.6L82 V88L82-T86 WeakPolarHBondContact O-CG2 3.49Å; L82-T86 PolarHBondContact O-N 2.64Å; L82-T86 PolarHBondContact O-OG1 3.24Å; T86-V88 PolarHBondContact O-N 3.08Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.45Å
87G40.1Very low52.1Low56 Ų56121.9 Ų121.958%0.57763%0.627SS**THydrogen-bonded Turntrans72.513-178.200000114Q83 T89Q83-G87 PolarHBondContact O-N 3.05Å; G87-T89 PolarHBondContact O-N 2.8Å
88V47.4Very low50Low89 Ų89124.9 Ų124.954%0.53963%0.631SS.*  trans-77.995.3-179.4-178.70000109Q83 T86Q83-V88 PolarHBondContact O-N 3Å; T86-V88 PolarHBondContact O-N 3.08Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.45Å
89T50Low48.5Very low111 Ų111126.5 Ų126.568%0.68164%0.643SS**PPolyproline II helixtrans-78.9137.2166.546.30000109.6G87 D91G87-T89 PolarHBondContact O-N 2.8Å; T89-D91 PolarHBondContact O-N 3.15Å
90P51.3Low46.7Very low87 Ų87125.8 Ų125.857%0.56566%0.659SS**PPolyproline II helixtrans-64.8128.1168.527.2-31.6000109.1K92P90-K92 PolarHBondContact O-N 3.43Å
91D42.4Very low45.1Very low155 Ų155128.1 Ų128.183%0.82968%0.681SS**PPolyproline II helixtrans-58.6118.8170.7-80-31.8000109.2T89 E93T89-D91 PolarHBondContact O-N 3.15Å; D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 3.28Å
92K43.8Very low43.3Very low198 Ų198125.3 Ų125.386%0.86168%0.684SS**  trans-93.562.7175.9-72.1-175177.9-1790109.8P90P90-K92 PolarHBondContact O-N 3.43Å
93E36.8Very low41.6Very low165 Ų165127.2 Ų127.277%0.77170%0.7SS**  trans-137.2129.4166-70.5-169.8161.600109.3D91D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact O-N 3.28Å
94H31.6Very low39.8Very low176 Ų176133.2 Ų133.282%0.81573%0.725SS**  trans73.378.6174.7-58.6-80.4000119.2
95V36.6Very low38.2Very low99 Ų99131.8 Ų131.860%0.673%0.733SS**  trans-150.397.1134.1-178.70000109.7F69 I97F69-V95 HydrophobicContact CE1-CG2 4.03Å; V95-I97 HydrophobicContact CG1-CB 4.47Å; V95-I97 HydrophobicContact CG1-CD1 3.46Å; V95-I97 VanDerWaalsContact CG1-CD1 3.46Å; V95-I97 HydrophobicContact CG1-CG1 3.52Å
96E28Very low36.7Very low181 Ų181132.1 Ų132.185%0.84673%0.731SS**  trans-79107.4161-178.2179.7178.500107.4
97I36.8Very low35.6Very low141 Ų141134.6 Ų134.672%0.72375%0.746SS**  trans-116.1111.4165.6-71.5166000108.3V95 S99V95-I97 HydrophobicContact CG1-CB 4.47Å; V95-I97 HydrophobicContact CG1-CD1 3.46Å; V95-I97 VanDerWaalsContact CG1-CD1 3.46Å; V95-I97 HydrophobicContact CG1-CG1 3.52Å; I97-S99 PolarHBondContact O-N 3.47Å
98Q28.4Very low35.2Very low174 Ų174139.4 Ų139.481%0.81376%0.758SS**  trans-52.8119.6164.2-65.3168.9-8.600110.4
99S34.7Very low34.6Very low110 Ų110143.1 Ų143.177%0.76978%0.775SS**  trans-147.2109.4147.461.10000107.6I97 N101I97-S99 PolarHBondContact O-N 3.47Å; S99-N101 PolarHBondContact O-N 3.3Å
100G28.9Very low33.6Very low71 Ų71142.1 Ų142.173%0.73278%0.779SS**  trans-59.2131.8-179.300000111.8
101N32.4Very low32.8Very low171 Ų171143.8 Ų143.891%0.91479%0.789SS**  -151125.7127.1-91-27000108.1S99S99-N101 PolarHBondContact O-N 3.3Å
102V27.9Very low32Very low126 Ų126146.6 Ų146.676%0.76479%0.79SS**  trans-75.8118.7-170.71720000109.6
103V29Very low31.8Very low138 Ų138143.2 Ų143.284%0.83679%0.788SS**  trans-135.1101.5141.2-179.40000107
104K29.3Very low31.9Very low168 Ų168144 Ų14473%0.7379%0.789SS**  trans-89.4119.9166.6-89.5175.5170.1178.20107.7
105V30.6Very low31.8Very low134 Ų134143.7 Ų143.781%0.81279%0.788SS**  trans-127.3112.9147.4-178.90000106.3
106H28.2Very low31.8Very low138 Ų138148.6 Ų148.664%0.63980%0.801SS**  trans-71147.7169.9-69.572.3000108.4
107T33.7Very low32.2Very low139 Ų139148.1 Ų148.185%0.85380%0.799SS**  177135.7102.334.10000110.3
108N31.4Very low32.2Very low156 Ų156147.8 Ų147.883%0.83480%0.804SS**  trans-56.6134.4168.7-61.2-54.1000110.6
109D35Very low32.8Very low167 Ų167144.6 Ų144.689%0.89380%0.798SS**  trans-162.8136.8132-91.8-33.7000109.9
110A28.9Very low32.8Very low91 Ų91145.8 Ų145.875%0.75280%0.801SS**  trans-68.8-171.7-176.900000111.1
111P34.6Very low33.2Very low121 Ų121151 Ų15179%0.78681%0.806SS**  cis-145.2168.119.636.4-12.3000117.9
112Y25.3Very low33.6Very low215 Ų215149.2 Ų149.284%0.84380%0.802SS**  trans-49.2157.1162-84.7-97.4000113.5
113P40.3Very low34Very low126 Ų126146.5 Ų146.582%0.81880%0.8SS**  trans-105.5121.1140.921.2-6000111
114K38.4Very low34.4Very low181 Ų181148.8 Ų148.879%0.78780%0.801SS**  trans-73.3148.2161.1-78.2173.6172.8176.50110.2
115Q30.3Very low34.7Very low171 Ų171145.3 Ų145.380%0.79980%0.798SS**  trans3.6132.1147.3-59.4175.4-54.600119.4
116F35.7Very low35.2Very low201 Ų201145.5 Ų145.588%0.88280%0.8SS**  trans-143.399.2139.2-85.1-80.4000105.9
117E36.1Very low35.5Very low171 Ų171142.3 Ų142.380%0.79980%0.804SS**  55.596.394-71.1-167.2172.600113.6P119E117-P119 WeakPolarHBondContact O-CD 3.49Å
118T37Very low35.8Very low134 Ų134141.4 Ų141.482%0.82280%0.798SS**  trans-71.7117.4160.4-32.10000108T120T118-T120 PolarHBondContact O-N 2.98Å
119P40.5Very low36.1Very low108 Ų108140.8 Ų140.870%0.70179%0.791SS**  trans-77115.2179.228.4-30.1000109.9E117 Q121E117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-Q121 PolarHBondContact O-N 3.29Å
120T35.6Very low36.2Very low134 Ų134143.2 Ų143.282%0.82279%0.789SS**  trans-78.797.6158.3-54.50000106.7T118T118-T120 PolarHBondContact O-N 2.98Å
121Q37.6Very low36.7Very low181 Ų181144.8 Ų144.885%0.84679%0.789SS**  trans-86.6111.3167.8-89.3-170.220.600110P119P119-Q121 PolarHBondContact O-N 3.29Å
122T40.2Very low37Very low133 Ų133150.3 Ų150.382%0.81679%0.794SS**  trans-67.8146158.5110000109.4
123G36.7Very low37.7Very low70 Ų70145 Ų14572%0.72279%0.786SS**  trans-68162.8-160.600000117.2
124Q37.6Very low37.7Very low186 Ų186147 Ų14787%0.86979%0.785SS**  -177.1126119.5-99.5178.1-2.800109.9
125S35.6Very low37.8Very low95 Ų95147.4 Ų147.466%0.66479%0.789SS**  trans46117.9141.266.30000118.6
126T39.7Very low38.2Very low138 Ų138144 Ų14485%0.84778%0.784SS**  172.3141.167.827.50000108.7
127G35.2Very low38.8Very low71 Ų71143.3 Ų143.373%0.73278%0.781SS**  trans59.4140.9150.700000119
128T39.4Very low38.7Very low119 Ų119143.8 Ų143.873%0.7378%0.783SS**  cis-170.913414.7-37.20000105.9
129Q38.5Very low38.7Very low144 Ų144148 Ų14867%0.67379%0.786SS**  trans44.4129.5144.6-59.8178.32.800119.3
130Y36.2Very low38.5Very low217 Ų217148.2 Ų148.285%0.85179%0.785SS**  -151.3135.259.2-92.7-94.7000112.7
131T41.5Very low38.5Very low125 Ų125149 Ų14977%0.76778%0.784SS**  trans-82.5152.617644.10000113.9
132R39.1Very low38.6Very low236 Ų236148.8 Ų148.889%0.89178%0.783SS**  176.6159.9124.5-119.4-161.4161.5156.2-4.3113.8
133P40.9Very low38.4Very low103 Ų103147.6 Ų147.667%0.66978%0.78SS**  -131.2164.9-93.441.3-24.4000114.6
134E39.3Very low38.4Very low170 Ų170155.9 Ų155.979%0.79479%0.79SS**  trans-66.8149.9159.4-73.5-165.1142.100112.3
135E41.7Very low38.3Very low189 Ų189151.9 Ų151.988%0.88379%0.788SS**  trans-113.4112.5154-84-168.9141.800109.7
136S39.3Very low38.6Very low98 Ų98152.2 Ų152.269%0.68580%0.796SS**  trans-101.5132.5166.917.10000109.5
137K46.5Very low39Very low188 Ų188154.3 Ų154.382%0.81780%0.797SS**  trans-145.3103158.2-66.6-175.7-178.2175.60104.8
138Q35.1Very low40.3Very low180 Ų180156 Ų15684%0.84180%0.795SS**  49101.171.5-152.91793.700112.8
139Y35.7Very low41.5Very low224 Ų224156 Ų15688%0.87880%0.797SS**  trans-177.7102.9145.5-101.4-77.4000106
140T37.5Very low42.9Very low111 Ų111154.7 Ų154.768%0.68180%0.801SS**  76.6114.192.1-52.70000113.8
141D35.9Very low44.5Very low150 Ų150149.8 Ų149.880%0.80280%0.795SS**  trans-47.3121.6162.5-156.2-7.6000112.4
142Q38.8Very low45.7Very low177 Ų177149.3 Ų149.383%0.82780%0.795SS**  trans-165.8120.8152-114.217474.800111.5
143S37.3Very low46.9Very low108 Ų108143.5 Ų143.576%0.75579%0.788SS**  trans-12.7132.6154.6-28.80000116
144R36.2Very low48.1Very low245 Ų245144.6 Ų144.693%0.92579%0.794SS**  160.7136.1121.3-169.3168-169.5177.31.3110.7
145A35.9Very low49.2Very low102 Ų102144 Ų14484%0.84380%0.796SS**  trans-49.3134.2-178.800000114.2
146A42Very low49.7Very low101 Ų101140.4 Ų140.484%0.83579%0.789SS**  trans-122.9101.1161.700000108.3
147Q47.5Very low49.9Very low182 Ų182143.3 Ų143.385%0.8580%0.796SS**PPolyproline II helixtrans-63.9144.1175.5-141.2174.4-14.800109.8
148P61.2Low49.9Very low106 Ų106140.9 Ų140.969%0.68880%0.797SS**PPolyproline II helixtrans-60.8146.616826.1-33000110.1
149P65.6Low50.1Low121 Ų121141 Ų14179%0.78680%0.797SS**PPolyproline II helixtrans-60.2136.5-179.724.7-32.9000110.3
150P67.8Low50.3Low115 Ų115134.1 Ų134.175%0.74779%0.794SS**PPolyproline II helixtrans-66.7147.4177.127.1-32.9000110.8
151P70.6Confident50.4Low114 Ų114133.3 Ų133.374%0.7480%0.799SS**PPolyproline II helixtrans-62149.9172.226.7-33.4000110.9
152P66.8Low50.6Low116 Ų116134.8 Ų134.875%0.75380%0.801SS**PPolyproline II helixtrans-60.2146.3177.825-33.2000111.3
153P63.7Low50.4Low114 Ų114137.4 Ų137.474%0.7480%0.803SS**PPolyproline II helixtrans-65.3143.4-177.426.1-33.5000111.6
154P65.5Low50.6Low125 Ų125139.4 Ų139.481%0.81280%0.804SS**PPolyproline II helixtrans-66.3135.1171.826.3-30.8000110.4
155L61.8Low50.7Low157 Ų157133.4 Ų133.482%0.82279%0.794SS**PPolyproline II helixtrans-56.3145.1173.8-73.3163.6000111L157L155-L157 PolarHBondContact O-N 3.11Å
156P52.4Low50.9Low114 Ų114133.1 Ų133.174%0.7479%0.792SS**PPolyproline II helixtrans-67.7119.2-175.626.2-32.1000111.2V158P156-V158 PolarHBondContact O-N 3.44Å
157L44.3Very low50.6Low160 Ų160134.3 Ų134.384%0.83879%0.794SS**  trans-73.1108164.7-113.4101.9000108.9L155 H159L155-L157 PolarHBondContact O-N 3.11Å; L157-H159 PolarHBondContact O-N 2.91Å; L157-H159 PolarHBondContact O-ND1 2.89Å
158V46.5Very low50.1Low136 Ų136129.4 Ų129.482%0.82479%0.792SS**  trans-62.3122.3169.6178.20000108.6P156P156-V158 PolarHBondContact O-N 3.44Å
159H39.9Very low48.8Very low183 Ų183132.2 Ų132.285%0.84780%0.801SS**  trans-69.5129.9175.8-73.645.7000110.4L157L157-H159 PolarHBondContact O-N 2.91Å; L157-H159 PolarHBondContact O-ND1 2.89Å
160G38.5Very low47.6Very low79 Ų79133.2 Ų133.281%0.81481%0.805SS**  trans-134.579.9163.700000108.5
161A40.1Very low46.2Very low95 Ų95135.3 Ų135.379%0.78581%0.805SS**  trans-71.5127.7170.300000109.6
162Q40.2Very low44.6Very low181 Ų181136.5 Ų136.585%0.84681%0.805SS**  trans-144.8126136.3-83.5-149.419.500110.2
163R35.6Very low43.2Very low231 Ų231139 Ų13987%0.87281%0.806SS**  trans-109.1113.8-178.9-170.2-167.1-145.4-161.86.8104.5V165R163-V165 HydrophobicContact CG-CG2 4.49Å
164I40.7Very low41.9Very low151 Ų151140.9 Ų140.977%0.77481%0.805SS**  trans-130.7118.1159.7-59.6-177.9000107.8
165V37.6Very low40.4Very low119 Ų119143 Ų14372%0.72180%0.804SS**  trans-92133.5174-170.70000105.7R163R163-V165 HydrophobicContact CG-CG2 4.49Å
166A39.8Very low39.4Very low96 Ų96141.7 Ų141.779%0.79381%0.808SS**  trans-179.1120.414200000111.2
167S36.8Very low38.8Very low126 Ų126140.8 Ų140.888%0.88181%0.805SS**  trans-58.7156163.7-50.20000112.7
168G37.3Very low38.6Very low78 Ų78141.4 Ų141.480%0.80480%0.803SS**  trans171.882.6165.200000113.9
169N34.4Very low38.4Very low166 Ų166144.3 Ų144.389%0.88881%0.808SS**  trans-51.2149.5154.5-103.2-10.5000110.1
170V40.3Very low38.2Very low141 Ų141141.6 Ų141.686%0.85580%0.804SS**  -176.6142.5123.2158.80000109.7
171Q38.2Very low38.2Very low160 Ų160142 Ų14275%0.74880%0.8SS**  trans-67.3166.6-177.5-58.9157.4-68.400113.7
172N36.2Very low38.1Very low138 Ų138143.3 Ų143.374%0.73880%0.798SS**  125.3146.8124.5-86.6-10.9000118.5
173E37.4Very low38.1Very low168 Ų168144.3 Ų144.379%0.78580%0.799SS**  trans82.699.3161-72.5173.7118.200117.2
174Q36.2Very low38.1Very low155 Ų155136.4 Ų136.472%0.72479%0.79SS**  68.3108.772.2-78.8-172.4-48.500114.2
175Q34.1Very low38Very low169 Ų169139.7 Ų139.779%0.7979%0.794SS**  trans57110.9131.4-61.4-178.1-4.500118.2
176S40.8Very low38.3Very low129 Ų129141.7 Ų141.790%0.90280%0.796SS**  trans-146.3126.7133.4-1640000109.7
177S40.1Very low38.6Very low96 Ų96142.4 Ų142.467%0.67179%0.793SS**  trans-94.3172.2-177-53.10000110.4
178E40.6Very low39.1Very low172 Ų172142.2 Ų142.280%0.80478%0.781SS**  trans91.9106.5159.4-55.1-178.3166.900116.4
179H42.5Very low40Very low198 Ų198145.1 Ų145.192%0.91777%0.774SS**  -155.5120.1115.2-103-74.4000110.8
180T33.7Very low41.1Very low125 Ų125140.7 Ų140.777%0.76776%0.756SS**  trans-82.8133.5176.4-620000111.1V182T180-V182 HydrophobicContact CG2-CG2 4.48Å
181A39.8Very low42Very low89 Ų89139 Ų13974%0.73674%0.742SS**  trans-168.495.3148.400000108.2
182V36.9Very low43.2Very low121 Ų121137.8 Ų137.873%0.73374%0.737SS**  55.38798.7-176.30000112.3T180T180-V182 HydrophobicContact CG2-CG2 4.48Å
183F40Very low44.8Very low202 Ų202138 Ų13889%0.88673%0.731SS**  trans-166.9113.8139-101.8-74.8000106.7
184G36.7Very low46.3Very low66 Ų66136.5 Ų136.568%0.6872%0.724SS**  trans-73.2143.3-172.200000112.5
185Y38.3Very low48.2Very low219 Ų219135.8 Ų135.886%0.85972%0.721SS**  trans-156.8123156.1-91.5-76.5000109.3
186E43.9Very low50.2Low162 Ų162132.4 Ų132.476%0.75771%0.707SS**  trans47.5125.8144.6-70.5-83.2125.100120N188E186-N188 PolarHBondContact O-N 3.4Å; E186-N188 VanDerWaalsContact O-N 3.16Å
187P47.5Very low51.8Low111 Ų111131.7 Ų131.772%0.72169%0.693SS**  trans-66.5117172.128.9-29.5000109.2E189P187-E189 PolarHBondContact O-N 2.96Å
188N47Very low53.7Low121 Ų121133.7 Ų133.765%0.64769%0.692SS**  trans-58.1107.1177.2-102.9-30000110.1E186 S190 D191E186-N188 PolarHBondContact O-N 3.4Å; E186-N188 VanDerWaalsContact O-N 3.16Å; N188-S190 PolarHBondContact O-N 2.94Å; N188-D191 PolarHBondContact O-N 3.05Å; N188-D191 VanDerWaalsContact O-N 3.09Å
189E55Low55.6Low140 Ų140130.6 Ų130.665%0.65468%0.678SS**Hα-helixtrans-53.6-10.5169.1-62.2-170.7148.300113.5P187 K193P187-E189 PolarHBondContact O-N 2.96Å; E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.01Å
190S57.3Low57.3Low73 Ų73125.8 Ų125.851%0.5166%0.658SS.*Hα-helixtrans-74.3-32.9178.5-55.70000113.1N188 Q194N188-S190 PolarHBondContact O-N 2.94Å; S190-Q194 PolarHBondContact O-N 2.9Å
191D59.8Low59.5Low104 Ų104122.6 Ų122.656%0.55664%0.644SS**Hα-helixtrans-78.5-37.5-179.1-82.7-15.2000111.7N188 Q194 Q195N188-D191 PolarHBondContact O-N 3.05Å; N188-D191 VanDerWaalsContact O-N 3.09Å; D191-Q194 PolarHBondContact O-N 2.83Å; D191-Q195 PolarHBondContact O-N 2.84Å
192E64.2Low61.3Low135 Ų135127.7 Ų127.763%0.63164%0.644SS**Hα-helixtrans-64.7-41.6172-87.5-170.9142.900111.3Q194 Q195 I196E192-Q194 VanDerWaalsContact C-N 3.32Å; E192-Q194 PolarHBondContact O-N 2.72Å; E192-Q195 PolarHBondContact O-N 3.09Å; E192-I196 WeakPolarHBondContact O-CB 3.37Å; E192-I196 WeakPolarHBondContact O-CD1 3.38Å; E192-I196 WeakPolarHBondContact O-CG1 3.18Å; E192-I196 PolarHBondContact O-N 2.98Å
193K68.2Low63.3Low143 Ų143128 Ų12862%0.62264%0.636SS**Hα-helixtrans-65.3-35.4176.1-77.8177-178.2166.30112.3E189 N197E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.01Å; K193-N197 WeakPolarHBondContact O-CB 3.35Å; K193-N197 PolarHBondContact O-N 3.16Å; K193-N197 VanDerWaalsContact O-N 3.07Å
194Q70.4Confident65Low136 Ų136123.6 Ų123.664%0.63662%0.621SS**Hα-helixtrans-69.4-44.2173.9-81.2-174.6-700112.2S190 D191 E192 I196 N197 E198S190-Q194 PolarHBondContact O-N 2.9Å; D191-Q194 PolarHBondContact O-N 2.83Å; E192-Q194 VanDerWaalsContact C-N 3.32Å; E192-Q194 PolarHBondContact O-N 2.72Å; Q194-I196 PolarHBondContact O-N 3.06Å; Q194-N197 PolarHBondContact O-N 3.34Å; Q194-E198 WeakPolarHBondContact O-CB 3.38Å; Q194-E198 PolarHBondContact O-N 3.21Å
195Q76Confident66.7Low140 Ų140123.4 Ų123.465%0.65461%0.613SS**Hα-helixtrans-60.6-44175.2-88.2-174.26.100112.3D191 E192 N197 E198 E199D191-Q195 PolarHBondContact O-N 2.84Å; E192-Q195 PolarHBondContact O-N 3.09Å; Q195-N197 VanDerWaalsContact C-N 3.32Å; Q195-N197 PolarHBondContact O-N 3.12Å; Q195-E198 PolarHBondContact O-N 3.44Å; Q195-E199 WeakPolarHBondContact O-CB 3.48Å; Q195-E199 PolarHBondContact O-N 2.87Å
196I74.9Confident68.2Low98 Ų98119.7 Ų119.750%0.50360%0.604SS.*Hα-helixtrans-64.4-39.6178.5-66.8163.3000110.5E192 Q194 E199 L200E192-I196 WeakPolarHBondContact O-CB 3.37Å; E192-I196 WeakPolarHBondContact O-CD1 3.38Å; E192-I196 WeakPolarHBondContact O-CG1 3.18Å; E192-I196 PolarHBondContact O-N 2.98Å; Q194-I196 PolarHBondContact O-N 3.06Å; I196-E199 PolarHBondContact O-N 2.86Å; I196-L200 WeakPolarHBondContact O-CB 3.41Å; I196-L200 PolarHBondContact O-N 3.32Å
197N74.7Confident69.1Low115 Ų115116 Ų11662%0.61560%0.6SS**Hα-helixtrans-70.2-35.4179-138.915000112K193 Q194 Q195 A201K193-N197 WeakPolarHBondContact O-CB 3.35Å; K193-N197 PolarHBondContact O-N 3.16Å; K193-N197 VanDerWaalsContact O-N 3.07Å; Q194-N197 PolarHBondContact O-N 3.34Å; Q195-N197 VanDerWaalsContact C-N 3.32Å; Q195-N197 PolarHBondContact O-N 3.12Å; N197-A201 VanDerWaalsContact O-CB 3.3Å; N197-A201 WeakPolarHBondContact O-CB 3.4Å; N197-A201 PolarHBondContact O-N 3.38Å
198E81.1Confident69.7Low138 Ų138118.6 Ų118.665%0.64560%0.603SS**Hα-helixtrans-71.7-38.1175.9-142.6176.3-16100111.7Q194 Q195 A201 R202Q194-E198 WeakPolarHBondContact O-CB 3.38Å; Q194-E198 PolarHBondContact O-N 3.21Å; Q195-E198 PolarHBondContact O-N 3.44Å; E198-A201 PolarHBondContact O-N 3.11Å; E198-R202 PolarHBondContact O-N 3.25Å
199E79.1Confident70.1Confident107 Ų107119.8 Ų119.850%0.560%0.602SS.*Hα-helixtrans-68.5-37.1174.2-146.6-157.415300111.6Q195 I196 R202 K203Q195-E199 WeakPolarHBondContact O-CB 3.48Å; Q195-E199 PolarHBondContact O-N 2.87Å; I196-E199 PolarHBondContact O-N 2.86Å; E199-R202 PolarHBondContact O-N 2.99Å; E199-K203 WeakPolarHBondContact O-CG 3.44Å; E199-K203 PolarHBondContact O-N 2.92Å; E199-K203 WeakPolarHBondContact OE1-CE 3.3Å; E199-K203 IonicContact OE1-NZ 3.52Å; E199-K203 PolarHBondContact OE1-NZ 3.24Å
200L78.1Confident69.6Low97 Ų97118.1 Ų118.151%0.50860%0.604SS.*Hα-helixtrans-71.4-37176.3-159.8126.8000111.7I196 K203 L204I196-L200 WeakPolarHBondContact O-CB 3.41Å; I196-L200 PolarHBondContact O-N 3.32Å; L200-K203 PolarHBondContact O-N 3.26Å; L200-L204 HydrophobicContact CD2-CD1 3.75Å; L200-L204 WeakPolarHBondContact O-CB 3.33Å; L200-L204 PolarHBondContact O-N 2.8Å
201A80Confident69.4Low58 Ų58124.5 Ų124.548%0.47962%0.623SS.*Hα-helixtrans-64.7-39.4171.300000112.1N197 E198 A205N197-A201 VanDerWaalsContact O-CB 3.3Å; N197-A201 WeakPolarHBondContact O-CB 3.4Å; N197-A201 PolarHBondContact O-N 3.38Å; E198-A201 PolarHBondContact O-N 3.11Å; A201-A205 WeakPolarHBondContact O-CB 3.42Å; A201-A205 PolarHBondContact O-N 2.89Å
202R78.6Confident68.9Low195 Ų195124.5 Ų124.574%0.73663%0.626SS**Hα-helixtrans-64-45.5171.4-96-174.3174.51460.8112.1E198 E199 L204 A205 E206E198-R202 PolarHBondContact O-N 3.25Å; E199-R202 PolarHBondContact O-N 2.99Å; R202-L204 PolarHBondContact O-N 2.85Å; R202-A205 PolarHBondContact O-N 3.47Å; R202-E206 VanDerWaalsContact O-CB 3.32Å; R202-E206 WeakPolarHBondContact O-CB 3.39Å; R202-E206 PolarHBondContact O-N 2.83Å
203K78.9Confident68.1Low129 Ų129122.7 Ų122.756%0.56163%0.626SS**Hα-helixtrans-66.1-35.3178.7-77.4178.7-175.7156.70112.7E199 L200 A207E199-K203 WeakPolarHBondContact O-CG 3.44Å; E199-K203 PolarHBondContact O-N 2.92Å; E199-K203 WeakPolarHBondContact OE1-CE 3.3Å; E199-K203 IonicContact OE1-NZ 3.52Å; E199-K203 PolarHBondContact OE1-NZ 3.24Å; L200-K203 PolarHBondContact O-N 3.26Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.19Å
204L74.6Confident67.2Low108 Ų108122 Ų12257%0.56564%0.636SS**Hα-helixtrans-68.8-43.3172.4-85.1161.2000111.9L200 R202 E206 A207 E208L200-L204 HydrophobicContact CD2-CD1 3.75Å; L200-L204 WeakPolarHBondContact O-CB 3.33Å; L200-L204 PolarHBondContact O-N 2.8Å; R202-L204 PolarHBondContact O-N 2.85Å; L204-E206 VanDerWaalsContact C-N 3.29Å; L204-E206 PolarHBondContact O-N 2.95Å; L204-A207 PolarHBondContact O-N 3.14Å; L204-E208 VanDerWaalsContact O-CB 3.28Å; L204-E208 WeakPolarHBondContact O-CB 3.31Å; L204-E208 PolarHBondContact O-N 2.89Å
205A72.2Confident66.5Low63 Ų63120.8 Ų120.852%0.52164%0.642SS.*Hα-helixtrans-66.1-30.1175.900000113.2A201 R202 K209A201-A205 WeakPolarHBondContact O-CB 3.42Å; A201-A205 PolarHBondContact O-N 2.89Å; R202-A205 PolarHBondContact O-N 3.47Å; A205-K209 PolarHBondContact O-N 3.33Å
206E70.9Confident65.9Low141 Ų141118.5 Ų118.566%0.65965%0.647SS**Hα-helixtrans-77.1-35.5173.7-166106-138.600112R202 L204 K209R202-E206 VanDerWaalsContact O-CB 3.32Å; R202-E206 WeakPolarHBondContact O-CB 3.39Å; R202-E206 PolarHBondContact O-N 2.83Å; L204-E206 VanDerWaalsContact C-N 3.29Å; L204-E206 PolarHBondContact O-N 2.95Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å
207A62.9Low65.7Low83 Ų83117.2 Ų117.269%0.68665%0.652SS**Hα-helixtrans-77.7-26.8177.100000113.3K203 L204 K209K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.19Å; L204-A207 PolarHBondContact O-N 3.14Å; A207-K209 VanDerWaalsContact C-N 3.32Å
208E58.9Low65.8Low167 Ų167114.6 Ų114.678%0.7864%0.641SS**SBendtrans-83.7-7.8175.5-148.2179.4-161.600112.4L204 P210L204-E208 VanDerWaalsContact O-CB 3.28Å; L204-E208 WeakPolarHBondContact O-CB 3.31Å; L204-E208 PolarHBondContact O-N 2.89Å; E208-P210 WeakPolarHBondContact O-CD 3.3Å
209K57.1Low65.7Low145 Ų145116.7 Ų116.763%0.6365%0.648SS**SBendtrans-67.8110.7165.3-102.9175.8-179.3170.20108.1A205 E206 A207 K211A205-K209 PolarHBondContact O-N 3.33Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; A207-K209 VanDerWaalsContact C-N 3.32Å; K209-K211 PolarHBondContact O-N 2.92Å
210P44.7Very low65.7Low105 Ų105118.7 Ų118.768%0.68265%0.651SS**  trans-59.9122.1177.625.2-31.9000108.1E208 V212E208-P210 WeakPolarHBondContact O-CD 3.3Å; P210-V212 HydrophobicContact CB-CG2 4.01Å; P210-V212 HydrophobicContact CG-CG2 4.12Å; P210-V212 PolarHBondContact O-N 2.91Å
211K53.2Low65.8Low208 Ų208114.8 Ų114.890%0.90463%0.633SS**  trans-71.872.7170.2-165.9144-176.4171.80108K209 P213K209-K211 PolarHBondContact O-N 2.92Å; K211-P213 WeakPolarHBondContact O-CD 3.48Å
212V49.2Very low65.8Low103 Ų103119.9 Ų119.962%0.62465%0.645SS**PPolyproline II helixtrans-66.8120.5173.1-1710000105.6P210P210-V212 HydrophobicContact CB-CG2 4.01Å; P210-V212 HydrophobicContact CG-CG2 4.12Å; P210-V212 PolarHBondContact O-N 2.91Å
213P46Very low66.1Low98 Ų98114 Ų11464%0.63663%0.63SS**PPolyproline II helixtrans-53.5140.1170.422-30000107.8K211 S215K211-P213 WeakPolarHBondContact O-CD 3.48Å; P213-S215 PolarHBondContact O-N 3.25Å
214P49.3Very low66.3Low128 Ų128110 Ų11083%0.83162%0.621SS**PPolyproline II helixtrans-50.3120.8178.122.3-32.3000106.9A216P214-A216 VanDerWaalsContact C-N 3.31Å; P214-A216 PolarHBondContact O-N 3.45Å
215S55.4Low66.8Low110 Ų110111.4 Ų111.477%0.76963%0.625SS**  trans-6399.3-170.671.20000107.6P213 A217P213-S215 PolarHBondContact O-N 3.25Å; S215-A217 PolarHBondContact O-N 3.07Å
216A64Low67.6Low92 Ų92113.5 Ų113.576%0.7662%0.624SS**PPolyproline II helixtrans-58.2117167.700000105.2P214 P218P214-A216 VanDerWaalsContact C-N 3.31Å; P214-A216 PolarHBondContact O-N 3.45Å; A216-P218 VanDerWaalsContact O-N 3.14Å
217A71.6Confident68.4Low72 Ų72114 Ų11460%0.59562%0.624SS**PPolyproline II helixtrans-53.2126.717900000107.2S215 A221S215-A217 PolarHBondContact O-N 3.07Å; A217-A221 HydrophobicContact CB-CB 3.85Å
218P76.9Confident69.5Low60 Ų60114.7 Ų114.739%0.3961%0.612SS.*PPolyproline II helixtrans-56.6150.8-178.922.7-32.2000109.3A216 W220 A221A216-P218 VanDerWaalsContact O-N 3.14Å; P218-W220 HydrophobicContact CB-CD2 4.46Å; P218-W220 HydrophobicContact CB-CG 4.45Å; P218-W220 HydrophobicContact CB-CZ2 4.35Å; P218-W220 HydrophobicContact CG-CD2 4.13Å; P218-W220 VanDerWaalsContact CG-CE2 3.46Å; P218-W220 HydrophobicContact CG-CH2 4.22Å; P218-W220 HydrophobicContact CG-CZ2 3.52Å; P218-W220 PolarHBondContact O-N 3.46Å; P218-A221 HydrophobicContact CG-CB 4.19Å; P218-A221 WeakPolarHBondContact O-CB 3.36Å; P218-A221 PolarHBondContact O-N 3.34Å
219F77.1Confident70.8Confident181 Ų181109.2 Ų109.279%0.79460%0.596SS**Hα-helixtrans-52.2-33-171.971.5-86.9000113.6A221F219-A221 VanDerWaalsContact C-N 3.3Å; F219-A221 PolarHBondContact O-N 3.33Å
220W80.3Confident72.2Confident149 Ų149108.2 Ų108.256%0.56459%0.591SS**Hα-helixtrans-73.4-16.7177.761.1-103.2000113.6P218 K222 T223 A224P218-W220 HydrophobicContact CB-CD2 4.46Å; P218-W220 HydrophobicContact CB-CG 4.45Å; P218-W220 HydrophobicContact CB-CZ2 4.35Å; P218-W220 HydrophobicContact CG-CD2 4.13Å; P218-W220 VanDerWaalsContact CG-CE2 3.46Å; P218-W220 HydrophobicContact CG-CH2 4.22Å; P218-W220 HydrophobicContact CG-CZ2 3.52Å; P218-W220 PolarHBondContact O-N 3.46Å; W220-K222 VanDerWaalsContact C-N 3.34Å; W220-K222 PolarHBondContact O-N 3.44Å; W220-T223 CarbonylContact O-C 3.49Å; W220-T223 PolarHBondContact O-N 3.39Å; W220-A224 HydrophobicContact CE3-CB 4.02Å; W220-A224 HydrophobicContact CZ3-CB 4.33Å; W220-A224 VanDerWaalsContact O-CB 3.29Å; W220-A224 WeakPolarHBondContact O-CB 3.48Å; W220-A224 PolarHBondContact O-N 3.31Å
221A80.8Confident74.2Confident15 Ų15109.8 Ų109.812%0.12458%0.584CS.*Hα-helixtrans-63.2-39.8-179.900000111.6A217 P218 F219 A224 Q225A217-A221 HydrophobicContact CB-CB 3.85Å; P218-A221 HydrophobicContact CG-CB 4.19Å; P218-A221 WeakPolarHBondContact O-CB 3.36Å; P218-A221 PolarHBondContact O-N 3.34Å; F219-A221 VanDerWaalsContact C-N 3.3Å; F219-A221 PolarHBondContact O-N 3.33Å; A221-A224 PolarHBondContact O-N 3.36Å; A221-Q225 WeakPolarHBondContact O-CB 3.3Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.47Å; A221-Q225 PolarHBondContact O-N 3.11Å
222K80.1Confident75.7Confident166 Ų166104.3 Ų104.372%0.72256%0.562SS**Hα-helixtrans-63.6-45.7172.4-73.7-171.5177.2-177.10111.3W220 A224 Q225 E226W220-K222 VanDerWaalsContact C-N 3.34Å; W220-K222 PolarHBondContact O-N 3.44Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.12Å; K222-Q225 PolarHBondContact O-N 3.24Å; K222-E226 WeakPolarHBondContact O-CB 3.33Å; K222-E226 PolarHBondContact O-N 2.91Å
223T83.1Confident77.5Confident72 Ų72105.2 Ų105.244%0.44256%0.563SS.*Hα-helixtrans-63.8-36.9177.2-47.60000112.2W220 K227W220-T223 CarbonylContact O-C 3.49Å; W220-T223 PolarHBondContact O-N 3.39Å; T223-K227 WeakPolarHBondContact O-CB 3.37Å; T223-K227 WeakPolarHBondContact O-CG 3.35Å; T223-K227 PolarHBondContact O-N 3.38Å
224A83.2Confident79.3Confident43 Ų43107.9 Ų107.936%0.35556%0.56SS.*Hα-helixtrans-70.4-42177.100000111.5W220 A221 K222 K227 H228W220-A224 HydrophobicContact CE3-CB 4.02Å; W220-A224 HydrophobicContact CZ3-CB 4.33Å; W220-A224 VanDerWaalsContact O-CB 3.29Å; W220-A224 WeakPolarHBondContact O-CB 3.48Å; W220-A224 PolarHBondContact O-N 3.31Å; A221-A224 PolarHBondContact O-N 3.36Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.12Å; A224-K227 PolarHBondContact O-N 3.41Å; A224-H228 VanDerWaalsContact O-CB 3.3Å; A224-H228 WeakPolarHBondContact O-CB 3.34Å; A224-H228 PolarHBondContact O-N 3.08Å
225Q86.1Confident80.6Confident139 Ų139105.3 Ų105.365%0.6554%0.537SS*.Hα-helixtrans-62.2-42.9172.7-77.1176.2-19.500111.6A221 K222 H228 A229A221-Q225 WeakPolarHBondContact O-CB 3.3Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.47Å; A221-Q225 PolarHBondContact O-N 3.11Å; K222-Q225 PolarHBondContact O-N 3.24Å; Q225-H228 PolarHBondContact O-N 3.49Å; Q225-A229 WeakPolarHBondContact O-CB 3.38Å; Q225-A229 PolarHBondContact O-N 3.31Å
226E88.7Confident81.8Confident107 Ų107104.5 Ų104.550%0.552%0.524SS..Hα-helixtrans-65.2-42.4176.5-166.9-166.7150.700111.8K222 H228 A229 K230K222-E226 WeakPolarHBondContact O-CB 3.33Å; K222-E226 PolarHBondContact O-N 2.91Å; E226-H228 VanDerWaalsContact C-N 3.34Å; E226-A229 PolarHBondContact O-N 3.24Å; E226-K230 WeakPolarHBondContact O-CB 3.27Å; E226-K230 WeakPolarHBondContact O-CG 3.37Å; E226-K230 PolarHBondContact O-N 2.8Å; E226-K230 WeakPolarHBondContact OE1-CE 3.39Å; E226-K230 IonicContact OE1-NZ 3.6Å; E226-K230 PolarHBondContact OE1-NZ 2.86Å
227K87.2Confident82.5Confident151 Ų151102.8 Ų102.866%0.65751%0.51SS*.Hα-helixtrans-65.8-36174.8-77.2-169.6178-172.80112.4T223 A224 W231T223-K227 WeakPolarHBondContact O-CB 3.37Å; T223-K227 WeakPolarHBondContact O-CG 3.35Å; T223-K227 PolarHBondContact O-N 3.38Å; A224-K227 PolarHBondContact O-N 3.41Å; K227-W231 WeakPolarHBondContact O-CB 3.19Å; K227-W231 PolarHBondContact O-N 3.35Å
228H85.8Confident82.7Confident97 Ų97105.7 Ų105.745%0.44951%0.506SS..Hα-helixtrans-66.5-47.5174.9-171.5-84.9000111.2A224 Q225 E226 K230 W231 E232A224-H228 VanDerWaalsContact O-CB 3.3Å; A224-H228 WeakPolarHBondContact O-CB 3.34Å; A224-H228 PolarHBondContact O-N 3.08Å; Q225-H228 PolarHBondContact O-N 3.49Å; E226-H228 VanDerWaalsContact C-N 3.34Å; H228-K230 VanDerWaalsContact C-N 3.33Å; H228-K230 PolarHBondContact O-N 2.79Å; H228-W231 CarbonylContact O-C 3.55Å; H228-W231 WeakPolarHBondContact O-CA 3.38Å; H228-W231 WeakPolarHBondContact O-CB 3.41Å; H228-W231 PolarHBondContact O-N 2.9Å; H228-E232 IonicContact CE1-OE1 2.71Å; H228-E232 PolarHBondContact CE1-OE1 2.71Å; H228-E232 VanDerWaalsContact CE1-OE1 3.23Å; H228-E232 IonicContact CE1-OE2 2.71Å; H228-E232 IonicContact ND1-OE1 3.52Å; H228-E232 IonicContact ND1-OE2 2.7Å; H228-E232 PolarHBondContact ND1-OE2 3.14Å; H228-E232 PolarHBondContact O-N 3.31Å
229A86.7Confident82.5Confident53 Ų53109.1 Ų109.144%0.43852%0.517SS..Hα-helixtrans-59.6-42.9176.400000111.9Q225 E226 W231 E232 D233Q225-A229 WeakPolarHBondContact O-CB 3.38Å; Q225-A229 PolarHBondContact O-N 3.31Å; E226-A229 PolarHBondContact O-N 3.24Å; A229-W231 VanDerWaalsContact C-N 3.28Å; A229-W231 PolarHBondContact O-N 2.82Å; A229-E232 PolarHBondContact O-N 3.47Å; A229-D233 WeakPolarHBondContact O-CB 3.36Å; A229-D233 PolarHBondContact O-N 3.27Å
230K87.5Confident82.2Confident123 Ų123104.9 Ų104.954%0.53551%0.507SS..Hα-helixtrans-63.9-31.7173.3-78.2174.2171.9165.10113.2E226 H228 R234E226-K230 WeakPolarHBondContact O-CB 3.27Å; E226-K230 WeakPolarHBondContact O-CG 3.37Å; E226-K230 PolarHBondContact O-N 2.8Å; E226-K230 WeakPolarHBondContact OE1-CE 3.39Å; E226-K230 IonicContact OE1-NZ 3.6Å; E226-K230 PolarHBondContact OE1-NZ 2.86Å; H228-K230 VanDerWaalsContact C-N 3.33Å; H228-K230 PolarHBondContact O-N 2.79Å; K230-R234 WeakPolarHBondContact O-CB 3.32Å; K230-R234 PolarHBondContact O-N 3.48Å
231W86.9Confident81.2Confident138 Ų138104.7 Ų104.752%0.52351%0.512SS..Hα-helixtrans-74.6-41176.5175.786.1000111.4K227 H228 A229 R234 Q235K227-W231 WeakPolarHBondContact O-CB 3.19Å; K227-W231 PolarHBondContact O-N 3.35Å; H228-W231 CarbonylContact O-C 3.55Å; H228-W231 WeakPolarHBondContact O-CA 3.38Å; H228-W231 WeakPolarHBondContact O-CB 3.41Å; H228-W231 PolarHBondContact O-N 2.9Å; A229-W231 VanDerWaalsContact C-N 3.28Å; A229-W231 PolarHBondContact O-N 2.82Å; W231-R234 PolarHBondContact O-N 3.07Å; W231-Q235 HydrophobicContact CD2-CG 4.05Å; W231-Q235 HydrophobicContact CE3-CG 4.26Å; W231-Q235 HydrophobicContact CH2-CG 3.9Å; W231-Q235 HydrophobicContact CZ2-CG 3.66Å; W231-Q235 HydrophobicContact CZ3-CG 4.19Å; W231-Q235 WeakPolarHBondContact O-CG 3.15Å; W231-Q235 PolarHBondContact O-N 3.02Å
232E84.8Confident80Confident94 Ų94111 Ų11144%0.43954%0.539SS..Hα-helixtrans-60.8-48.1173.5-75.5-177.9138.900111.5H228 A229 R234 Q235 D236H228-E232 IonicContact CE1-OE1 2.71Å; H228-E232 PolarHBondContact CE1-OE1 2.71Å; H228-E232 VanDerWaalsContact CE1-OE1 3.23Å; H228-E232 IonicContact CE1-OE2 2.71Å; H228-E232 IonicContact ND1-OE1 3.52Å; H228-E232 IonicContact ND1-OE2 2.7Å; H228-E232 PolarHBondContact ND1-OE2 3.14Å; H228-E232 PolarHBondContact O-N 3.31Å; A229-E232 PolarHBondContact O-N 3.47Å; E232-R234 PolarHBondContact O-N 3.05Å; E232-Q235 WeakPolarHBondContact O-CA 3.19Å; E232-Q235 WeakPolarHBondContact O-CB 3.47Å; E232-Q235 PolarHBondContact O-N 3.32Å; E232-D236 PolarHBondContact O-N 3.14Å
233D85.4Confident78.6Confident121 Ų121113.5 Ų113.565%0.64754%0.543SS*.Hα-helixtrans-57.4-37.6176.4-169.344.7000111.8A229 A237A229-D233 WeakPolarHBondContact O-CB 3.36Å; A229-D233 PolarHBondContact O-N 3.27Å; D233-A237 WeakPolarHBondContact O-CB 3.37Å; D233-A237 PolarHBondContact O-N 3.08Å
234R84.2Confident77.3Confident155 Ų155115 Ų11559%0.58555%0.553SS**Hα-helixtrans-69.9-37.5174.2-166.1-178.4-65.7173.2-2.4112.5K230 W231 E232 A237 Y238K230-R234 WeakPolarHBondContact O-CB 3.32Å; K230-R234 PolarHBondContact O-N 3.48Å; W231-R234 PolarHBondContact O-N 3.07Å; E232-R234 PolarHBondContact O-N 3.05Å; R234-A237 PolarHBondContact O-N 2.84Å; R234-Y238 HydrophobicContact CG-CD2 4.1Å; R234-Y238 HydrophobicContact CG-CE2 3.64Å; R234-Y238 WeakPolarHBondContact O-CD2 3.36Å; R234-Y238 PolarHBondContact O-N 3.05Å; R234-Y238 VanDerWaalsContact O-N 3.12Å
235Q76.6Confident75.4Confident73 Ų73120.3 Ų120.334%0.34157%0.572SS.*Hα-helixtrans-66.1-41175.2-72.3-60.7-51.900111.5W231 E232 A237 Y238 Q239W231-Q235 HydrophobicContact CD2-CG 4.05Å; W231-Q235 HydrophobicContact CE3-CG 4.26Å; W231-Q235 HydrophobicContact CH2-CG 3.9Å; W231-Q235 HydrophobicContact CZ2-CG 3.66Å; W231-Q235 HydrophobicContact CZ3-CG 4.19Å; W231-Q235 WeakPolarHBondContact O-CG 3.15Å; W231-Q235 PolarHBondContact O-N 3.02Å; E232-Q235 WeakPolarHBondContact O-CA 3.19Å; E232-Q235 WeakPolarHBondContact O-CB 3.47Å; E232-Q235 PolarHBondContact O-N 3.32Å; Q235-A237 VanDerWaalsContact C-N 3.35Å; Q235-Y238 PolarHBondContact O-N 3.37Å; Q235-Q239 PolarHBondContact O-N 3.47Å
236D80.4Confident73.1Confident93 Ų93118.6 Ų118.650%0.49758%0.576SS.*Hα-helixtrans-65.7-38.7176.9-73.4-20.7000111.3E232 Y238 Q239 T240E232-D236 PolarHBondContact O-N 3.14Å; D236-Y238 PolarHBondContact O-N 3.39Å; D236-Q239 PolarHBondContact O-N 2.93Å; D236-T240 WeakPolarHBondContact O-CB 3.38Å; D236-T240 PolarHBondContact O-N 3.5Å; D236-T240 PolarHBondContact O-OG1 3.48Å
237A78.4Confident71.1Confident56 Ų56119 Ų11946%0.46359%0.588SS.*Hα-helixtrans-60-43.9171.900000112.3D233 R234 Q235 T240 Q241D233-A237 WeakPolarHBondContact O-CB 3.37Å; D233-A237 PolarHBondContact O-N 3.08Å; R234-A237 PolarHBondContact O-N 2.84Å; Q235-A237 VanDerWaalsContact C-N 3.35Å; A237-T240 PolarHBondContact O-N 3.37Å; A237-Q241 WeakPolarHBondContact O-CG 3.4Å; A237-Q241 PolarHBondContact O-N 3.46Å; A237-Q241 VanDerWaalsContact O-N 3.13Å
238Y76.2Confident68.9Low133 Ų133117.4 Ų117.452%0.52260%0.595SS.*Hα-helixtrans-65-43.5175.4-75.7-60.5000112.3R234 Q235 D236 T240 Q241 H242R234-Y238 HydrophobicContact CG-CD2 4.1Å; R234-Y238 HydrophobicContact CG-CE2 3.64Å; R234-Y238 WeakPolarHBondContact O-CD2 3.36Å; R234-Y238 PolarHBondContact O-N 3.05Å; R234-Y238 VanDerWaalsContact O-N 3.12Å; Q235-Y238 PolarHBondContact O-N 3.37Å; D236-Y238 PolarHBondContact O-N 3.39Å; Y238-T240 VanDerWaalsContact C-N 3.3Å; Y238-T240 PolarHBondContact O-N 2.86Å; Y238-Q241 PolarHBondContact O-N 2.91Å; Y238-H242 PolarHBondContact O-CD2 3.28Å; Y238-H242 PolarHBondContact O-N 3.44Å; Y238-H242 VanDerWaalsContact O-N 3.13Å
239Q73.4Confident66.9Low132 Ų132119.5 Ų119.562%0.61761%0.614SS**Hα-helixtrans-63.5-37177-77.9-163.560.500112.4Q235 D236 H242 R243Q235-Q239 PolarHBondContact O-N 3.47Å; D236-Q239 PolarHBondContact O-N 2.93Å; Q239-H242 PolarHBondContact O-N 2.86Å; Q239-R243 PolarHBondContact O-N 2.8Å; Q239-R243 VanDerWaalsContact O-N 3.11Å
240T70.3Confident64.7Low93 Ų93121.1 Ų121.157%0.57163%0.628SS**Hα-helixtrans-67.9-37.4178.8-48.40000111.5D236 A237 Y238 R243D236-T240 WeakPolarHBondContact O-CB 3.38Å; D236-T240 PolarHBondContact O-N 3.5Å; D236-T240 PolarHBondContact O-OG1 3.48Å; A237-T240 PolarHBondContact O-N 3.37Å; Y238-T240 VanDerWaalsContact C-N 3.3Å; Y238-T240 PolarHBondContact O-N 2.86Å; T240-R243 PolarHBondContact O-N 3.35Å
241Q59.9Low62.5Low145 Ų145119.8 Ų119.868%0.67864%0.64SS**Hα-helixtrans-69.1-31.3174.7-67.9-133.6-33.100113.4A237 Y238 T244A237-Q241 WeakPolarHBondContact O-CG 3.4Å; A237-Q241 PolarHBondContact O-N 3.46Å; A237-Q241 VanDerWaalsContact O-N 3.13Å; Y238-Q241 PolarHBondContact O-N 2.91Å; Q241-T244 PolarHBondContact O-OG1 2.94Å
242H54.2Low60.6Low148 Ų148119.8 Ų119.869%0.68566%0.655SS**Hα-helixtrans-80.9-14.1175.9-71.3-61.6000113.7Y238 Q239Y238-H242 PolarHBondContact O-CD2 3.28Å; Y238-H242 PolarHBondContact O-N 3.44Å; Y238-H242 VanDerWaalsContact O-N 3.13Å; Q239-H242 PolarHBondContact O-N 2.86Å
243R51.4Low58.5Low217 Ų217120.7 Ų120.782%0.81967%0.669SS**Hα-helixtrans-85.5-17.5177.6-126.1-177.6-162.3-160.25.4114.6Q239 T240Q239-R243 PolarHBondContact O-N 2.8Å; Q239-R243 VanDerWaalsContact O-N 3.11Å; T240-R243 PolarHBondContact O-N 3.35Å
244T55.3Low56.3Low105 Ų105122.2 Ų122.264%0.64468%0.676SS**SBendtrans-94.4-3.117946.60000113.9Q241Q241-T244 PolarHBondContact O-OG1 2.94Å
245M43.6Very low54.2Low154 Ų154126.8 Ų126.876%0.75969%0.693SS**  trans-108.952.9175.6-64.8-75.4151.600110.7P247M245-P247 WeakPolarHBondContact O-CD 3.46Å
246S37.3Very low52.2Low103 Ų103130.7 Ų130.772%0.7272%0.716SS**  trans-86.2112.4163.2-92.50000108.6S248S246-S248 PolarHBondContact O-N 3.27Å; S246-S248 VanDerWaalsContact O-N 3.11Å
247P48Very low50.4Low116 Ų116131.1 Ų131.175%0.75373%0.733SS**  trans-73.8105.3173.729.8-29.4000108.3M245 V249M245-P247 WeakPolarHBondContact O-CD 3.46Å; P247-V249 PolarHBondContact O-N 2.99Å; P247-V249 VanDerWaalsContact O-N 3.12Å
248S40.5Very low48.7Very low117 Ų117135.2 Ų135.282%0.81875%0.747SS**  trans-67.1107.3169.4-1710000108.8S246 A250S246-S248 PolarHBondContact O-N 3.27Å; S246-S248 VanDerWaalsContact O-N 3.11Å; S248-A250 PolarHBondContact O-N 3.46Å
249V43.6Very low47.1Very low140 Ų140140.4 Ų140.485%0.84877%0.767SS**  trans-76.4104.5172.9-177.80000107.8P247P247-V249 PolarHBondContact O-N 2.99Å; P247-V249 VanDerWaalsContact O-N 3.12Å
250A41.4Very low45.6Very low88 Ų88142.1 Ų142.173%0.72778%0.775SS**  trans-127.9109.5166.200000109.1S248S248-A250 PolarHBondContact O-N 3.46Å
251A41Very low44.3Very low94 Ų94143.8 Ų143.878%0.77778%0.78SS**  trans-62.9138.6176.200000112
252T47.2Very low43.5Very low139 Ų139147 Ų14785%0.85379%0.788SS**  trans-158.9147.2143.724.70000110.4
253P40.9Very low42.7Very low112 Ų112149.1 Ų149.173%0.72779%0.789SS**  trans-102.5148.4-164.237.3-29.3000114.9
254I37.8Very low42Very low154 Ų154145.3 Ų145.379%0.7978%0.781SS**  trans40.8116.4140.3-49.4171.7000118.3
255R39.9Very low41.3Very low250 Ų250149.8 Ų149.894%0.94379%0.794SS**  trans-158.9133.3132.7-109.8177.2-165.5-167.44.2112.9
256N36.3Very low41.1Very low156 Ų156148.2 Ų148.283%0.83479%0.793SS**  trans-59.3148.1177.2-67.5-40.4000114
257A42.9Very low41.3Very low101 Ų101152.4 Ų152.484%0.83580%0.801SS**  trans-158.7124.4144.200000110.7
258D41.8Very low41Very low142 Ų142156.4 Ų156.476%0.75981%0.807SS**  trans-59.2148.1176.7-63.1-67.9000114.7
259Y42.4Very low40.9Very low242 Ų242156.3 Ų156.395%0.94981%0.806SS**  trans-152.5118143.9-102.6-80.6000110.6
260H42.3Very low40.7Very low169 Ų169160 Ų16078%0.78281%0.805SS**  trans-103.7167.3178.4-100.4-29.6000112.2
261N42.2Very low40.6Very low127 Ų127164.9 Ų164.968%0.67981%0.81SS**  trans79.8131.2165.8-76.3-49.6000116.6
262Y43Very low40.4Very low213 Ų213166.3 Ų166.384%0.83581%0.809SS**  cis-153.417539.1-82-100.4000109.8
263R37.9Very low39.9Very low192 Ų192164.8 Ų164.873%0.72580%0.804SS**  cis165.7120.1-36.4-176.2172.1-173.2178.5-2.9105.7
264H37.4Very low39.8Very low137 Ų137164.6 Ų164.663%0.63481%0.805SS**  trans37.6134158.1-55.9-59000123.4
265H40.5Very low39.8Very low200 Ų200161.7 Ų161.793%0.92680%0.804SS**  -151.8139123.1-80.7-62.7000110.7
266T39.9Very low39.7Very low120 Ų120155.7 Ų155.774%0.73680%0.798SS**  trans-134.8137.9-176.153.30000110.1
267E40.9Very low39.8Very low192 Ų192156.4 Ų156.490%0.89780%0.801SS**  trans-160.2104162.2-105.7171-178.100107.9
268K41.5Very low39.4Very low200 Ų200157.3 Ų157.387%0.8780%0.796SS**  65.7105.383.6-71.1-174.6-177.3175.10116.6
269S38.6Very low39.2Very low114 Ų114162.4 Ų162.480%0.79781%0.805SS**  trans173.2100.4133.3-174.80000110.5
270R39.1Very low38.7Very low219 Ų219156.7 Ų156.783%0.82680%0.795SS**  36.612299.5-62-172.3-171.5174.52.4113.5
271F38.9Very low38.3Very low189 Ų189156.2 Ų156.283%0.82980%0.797SS**  -155.4159.362.1-99-94.4000114.1
272T37.8Very low37.7Very low125 Ų125154.2 Ų154.277%0.76779%0.794SS**  trans-75.2153.8-178.546.50000116
273S36.3Very low37.2Very low106 Ų106154.6 Ų154.674%0.74180%0.795SS**  151.4130.9116.7-171.70000114.5
274S37.8Very low37.2Very low108 Ų108150.8 Ų150.876%0.75579%0.793SS**  trans-20.8160.6154.741.90000118.5
275A37.5Very low36.9Very low93 Ų93152.4 Ų152.477%0.76980%0.803SS**  cis-172.8172.26.200000107.6
276P39.6Very low37.2Very low124 Ų124148.8 Ų148.881%0.80580%0.797SS**  trans-102.4153.9-17337.3-29.3000114.1
277L37.9Very low37Very low171 Ų171154.1 Ų154.190%0.89580%0.804SS**  trans-153.9137.5163-100.1164.7000112.5
278T34.6Very low36.8Very low121 Ų121149.6 Ų149.674%0.74279%0.794SS**  trans-58.5147.8175.246.40000115.4
279R36.6Very low36.6Very low248 Ų248146.2 Ų146.294%0.93679%0.79SS**  trans-170.7141.2131.8-109.7172.4168.9-179.1-4114.6
280T31.7Very low36.4Very low122 Ų122146.2 Ų146.275%0.74879%0.79SS**  trans-83.8175.1-177.2280000114.5
281L33.9Very low36.4Very low159 Ų159140.3 Ų140.383%0.83278%0.782SS**  trans95.6141.6160.9-53.7171.5000114.9
282S30.5Very low36.5Very low86 Ų86139.1 Ų139.160%0.60178%0.779SS**  cis169.8164.8-29.646.30000106.1
283Y32.1Very low36.5Very low221 Ų221141.3 Ų141.387%0.86778%0.78SS**  trans76.8137.4166.2-91.2-114.8000115.4
284T37.4Very low36.5Very low112 Ų112142.7 Ų142.769%0.68778%0.784SS**  cis-168.4149.614.5-64.80000109
285M32.8Very low36.3Very low171 Ų171141.4 Ų141.484%0.84279%0.788SS**  trans-93.7151.8167.9-74.8-88.1-83.600111.7
286P46.6Very low36.1Very low123 Ų123140.5 Ų140.580%0.79979%0.788SS**  trans-118.1145.5145.830.7-17.2000112.6
287R34.1Very low35.7Very low233 Ų233145.5 Ų145.588%0.87979%0.792SS**  trans-97.4166.9-176.1-168.9-179.8-177.3-170.81.2109.8
288S37.7Very low35.6Very low97 Ų97148.8 Ų148.868%0.67879%0.793SS**  trans86.4137.3162.6-58.30000114.6
289T36.3Very low35.6Very low129 Ų129149.6 Ų149.679%0.79180%0.798SS**  cis-171.6165.62.318.60000105.6
290S35.9Very low35.7Very low113 Ų113145.4 Ų145.479%0.7979%0.793SS**  trans109.2110.6145.7-1600000117.5
291S37.8Very low35.7Very low95 Ų95144.3 Ų144.366%0.66479%0.79SS**  trans73.7106.4132.2-1700000120.1
292Q41Very low35.9Very low165 Ų165146.6 Ų146.677%0.77179%0.794SS**  trans31.9112.9132.3-60.4-175.99.200117.5
293Q38.2Very low36.1Very low170 Ų170148.1 Ų148.179%0.79480%0.802SS**  174.6132.297.6-91.5-165-9.800110.5
294V36.1Very low36.2Very low135 Ų135149.3 Ų149.382%0.81880%0.804SS**  trans60.3106139.5-1730000118.7
295G33.2Very low36Very low81 Ų81149.9 Ų149.984%0.83581%0.813SS**  74.2115.2124.700000119
296G33.7Very low36.1Very low74 Ų74147.7 Ų147.776%0.76382%0.815SS**  trans145.297.3155.800000114.9
297Y32.2Very low35.5Very low230 Ų230144.7 Ų144.790%0.90281%0.806SS**  trans-59137.9175.9-44.9-90.3000113.4
298R34.6Very low35.4Very low239 Ų239139.2 Ų139.290%0.90280%0.803SS**  trans162.4112132.9-91.8175.2-173.6-125.32.6110.9
299T34.9Very low35.2Very low139 Ų139144 Ų14485%0.85382%0.815SS**  trans-129109.1154.738.60000106.2
300L38Very low35.1Very low160 Ų160143.4 Ų143.484%0.83882%0.816SS**  57.698.578.8-83.1156.7000113.6
301S32.4Very low35.3Very low99 Ų99146.9 Ų146.969%0.69281%0.812SS**  trans-28.4141.7158.642.60000118.3
302K37.9Very low35.3Very low207 Ų207149 Ų14990%0.982%0.815SS**  -176.7158.4117.4-99.4171.1-178.7178.10113.3
303P36Very low35.2Very low118 Ų118150.5 Ų150.577%0.76682%0.819SS**  trans-111.4165-149.241.3-33.9000115.6
304R32.5Very low35.1Very low246 Ų246148 Ų14893%0.92882%0.815SS**  trans-173.1102.4156.2-116.9172.3159.6164.8-5.5109.1
305S33.9Very low34.8Very low124 Ų124147.3 Ų147.387%0.86782%0.815SS**  59.798.688.5-169.50000115.1
306S35.9Very low34.9Very low125 Ų125151.2 Ų151.287%0.87481%0.814SS**  trans168.3120.1148.4-178.60000104.7
307G33.1Very low34.9Very low60 Ų60152 Ų15262%0.61981%0.813SS**  cis134.9128.833.100000105.3
308S32.8Very low35.3Very low117 Ų117146.2 Ų146.282%0.81880%0.804SS**  trans63.9105.6172.870.20000118.7
309E33.5Very low35.1Very low197 Ų197142.5 Ų142.592%0.92180%0.802SS**  trans178.185.2138-99.4165.3-167.100110.3
310S32.6Very low35.1Very low118 Ų118141.3 Ų141.383%0.82579%0.794SS**  trans-151.891167.475.30000112.4
311W41.9Very low35Very low186 Ų186140.3 Ų140.371%0.70579%0.789SS**  trans-1423.7161.660.5-90.8000115.2
312L37Very low35Very low138 Ų138144.5 Ų144.572%0.72380%0.798SS**  trans-10374.9166.4-92.5103.7000111.5V314L312-V314 PolarHBondContact O-N 2.9Å
313K39.1Very low34.9Very low197 Ų197142 Ų14286%0.85779%0.793SS**  trans-77.1103.3155.1-82.6-177.6176.7177.60107.7C315K313-C315 PolarHBondContact O-N 2.94Å
314V36.1Very low35Very low117 Ų117143.8 Ų143.871%0.70980%0.796SS**  trans-56.4106.1157.8176.50000106.3L312 M316L312-V314 PolarHBondContact O-N 2.9Å; V314-M316 HydrophobicContact CG1-CG 4.04Å; V314-M316 PolarHBondContact O-N 3.49Å
315C29.2Very low34.9Very low122 Ų122143.6 Ų143.682%0.82480%0.795SS**  trans-67.586.6167.8-62.20000107.8K313 A317K313-C315 PolarHBondContact O-N 2.94Å; C315-A317 PolarHBondContact O-N 3.2Å
316M35.7Very low35.1Very low163 Ų163143.5 Ų143.580%0.80379%0.791SS**  trans-66.8113.3155.8-62.2-129.880.600105.9V314V314-M316 HydrophobicContact CG1-CG 4.04Å; V314-M316 PolarHBondContact O-N 3.49Å
317A33.9Very low34.9Very low90 Ų90147.7 Ų147.774%0.74479%0.79SS**  trans-57.9132.1171.800000108.5C315C315-A317 PolarHBondContact O-N 3.2Å
318P39.5Very low35.2Very low109 Ų109150 Ų15071%0.70879%0.791SS**  trans-68142.3178.628.6-31.6000109.5V320P318-V320 WeakPolarHBondContact O-CG2 3.44Å; P318-V320 PolarHBondContact O-N 2.84Å
319N30.3Very low35.5Very low161 Ų161149.7 Ų149.786%0.86179%0.787SS**  trans-47.8109.8167.1-86.5-35.3000109.9
320V35.6Very low35.4Very low113 Ų113147.6 Ų147.669%0.68578%0.782SS**  trans-10165.3168.1-171.50000107.8P318P318-V320 WeakPolarHBondContact O-CG2 3.44Å; P318-V320 PolarHBondContact O-N 2.84Å
321D35.6Very low35.7Very low140 Ų140150 Ų15075%0.74979%0.785SS**  trans-114.673.7161.3-86.1-27.7000106.9
322Q32.8Very low35.4Very low187 Ų187152.2 Ų152.287%0.87479%0.793SS**  trans175.990.9164.7-104159.780.600109.5
323I36.7Very low35.4Very low155 Ų155156.4 Ų156.480%0.79580%0.801SS**  trans-139.9128.3149.7-59.5-175.6000108.6
324D36.5Very low35.5Very low154 Ų154152.5 Ų152.582%0.82480%0.796SS**  trans-49.3139.1-174.3-65.8-60.3000116.2
325R31.1Very low35.3Very low243 Ų243155.3 Ų155.392%0.91780%0.801SS**  trans-90.2142.6158.6-73.7-179175-176.6-1.1109.7
326P38.9Very low35.6Very low121 Ų121160.1 Ų160.179%0.78680%0.802SS**  trans-115.2131.8141.324.6-9.7000112.3
327Y31.9Very low35.6Very low214 Ų214159.5 Ų159.584%0.83980%0.797SS**  trans-9.9144.5147.2-104.8-124.5000115.5
328T39.2Very low35.4Very low107 Ų107161.8 Ų161.866%0.65680%0.802SS**  cis173-171.721.1160000107.2
329P38.4Very low35.2Very low111 Ų111161.8 Ų161.872%0.72181%0.805SS**  cis-129.6166.7-48.134.5-16.4000113.5
330N32.1Very low35.2Very low154 Ų154163.5 Ų163.582%0.82481%0.807SS**  trans-2.7129.2161-83.7-41.9000120.8
331L39Very low35.2Very low167 Ų167163 Ų16387%0.87481%0.805SS**  trans-153.9109.4134.1-98.6124.1000112.4
332R34.7Very low34.9Very low234 Ų234162 Ų16288%0.88380%0.804SS**  trans40.3119.3135.5-87.5179.9-174.6176.63.1121.4
333Y36.3Very low35Very low225 Ų225162.8 Ų162.888%0.88280%0.8SS**  trans-56.8159.5156.4-69.6-87.9000113.2
334P41.1Very low34.8Very low116 Ų116161.3 Ų161.375%0.75380%0.798SS**  -146.6142.387.332.7-12.1000116.7
335Q32.5Very low34.6Very low176 Ų176158.7 Ų158.782%0.82279%0.792SS**  23.3115.1126.9-172.8172.7-20.500119.1
336R36Very low34.8Very low222 Ų222157.6 Ų157.684%0.83879%0.794SS**  trans-157.2112.1142.6-96.3-167.1-170.8-178.91.6108.7
337E35.3Very low34.6Very low151 Ų151154.5 Ų154.571%0.70678%0.784SS**  78.1101.895.4-77.1179.3177.200113.4S339E337-S339 PolarHBondContact O-N 3.44Å
338T30.6Very low35.1Very low138 Ų138150.5 Ų150.585%0.84778%0.784SS**  trans0.3112.714751.10000116.1
339S34.7Very low34.8Very low109 Ų109153.5 Ų153.576%0.76279%0.793SS**  trans-143.2119.5153.2-76.20000108.5E337 V341E337-S339 PolarHBondContact O-N 3.44Å; S339-V341 PolarHBondContact O-N 3.44Å
340Q31.3Very low34.8Very low197 Ų197158.7 Ų158.792%0.92180%0.8SS**  trans-57.3117.2174.3-59.7-176.2-7.600108.6
341V34.6Very low34.8Very low103 Ų103160.6 Ų160.662%0.62480%0.795SS**  trans-12597.7167.9-172.60000108.1S339 Y343S339-V341 PolarHBondContact O-N 3.44Å; V341-Y343 HydrophobicContact CB-CD2 4.41Å; V341-Y343 HydrophobicContact CG1-CD2 3.53Å; V341-Y343 HydrophobicContact CG1-CE2 3.49Å; V341-Y343 VanDerWaalsContact CG1-CE2 3.49Å; V341-Y343 PolarHBondContact O-N 2.87Å
342T28.8Very low34.5Very low119 Ų119157 Ų15773%0.7379%0.789SS**  trans-53.696.1163.2-57.20000109.3T344T342-T344 HydrophobicContact CG2-CG2 4.04Å
343Y35.3Very low34.6Very low203 Ų203150.7 Ų150.780%0.79678%0.782SS**  trans-95.289.2163.6-96.4-83.9000109.4V341 S345V341-Y343 HydrophobicContact CB-CD2 4.41Å; V341-Y343 HydrophobicContact CG1-CD2 3.53Å; V341-Y343 HydrophobicContact CG1-CE2 3.49Å; V341-Y343 VanDerWaalsContact CG1-CE2 3.49Å; V341-Y343 PolarHBondContact O-N 2.87Å; Y343-S345 PolarHBondContact O-N 3.26Å
344T32.9Very low34.6Very low124 Ų124146.8 Ų146.876%0.76177%0.771SS**  trans-71.199.615451.80000108T342T342-T344 HydrophobicContact CG2-CG2 4.04Å
345S32.8Very low34.4Very low99 Ų99146 Ų14669%0.69277%0.774SS**  trans-144112.1159.9780000111.7Y343 G347Y343-S345 PolarHBondContact O-N 3.26Å; S345-G347 PolarHBondContact O-N 3.04Å
346K35Very low34.9Very low219 Ų219143 Ų14395%0.95276%0.762SS**  trans-63.3111.8-176.4-59.5173.5177.5179.70111
347G34.3Very low35.6Very low56 Ų56138.1 Ų138.158%0.57776%0.759SS**  trans-111.6141.3154.800000108.1S345 M349S345-G347 PolarHBondContact O-N 3.04Å; G347-M349 PolarHBondContact O-N 2.93Å
348P42.9Very low36.6Very low130 Ų130142.1 Ų142.184%0.84477%0.767SS**  trans-71.584-175.531-32.1000108.6Y350P348-Y350 PolarHBondContact O-N 3.23Å
349M32.3Very low38Very low171 Ų171139.1 Ų139.184%0.84274%0.743SS**  trans-62.5120.2167.1-142.7-174.857.100105.8G347 R351G347-M349 PolarHBondContact O-N 2.93Å; M349-R351 PolarHBondContact O-N 3.32Å
350Y38.4Very low39.2Very low220 Ų220142 Ų14286%0.86374%0.744SS**  trans-53.291.5176.2-83.5-100.8000109P348 A352P348-Y350 PolarHBondContact O-N 3.23Å; Y350-A352 PolarHBondContact O-N 2.96Å
351R32.8Very low40.6Very low193 Ų193137.1 Ų137.173%0.72873%0.728SS**  trans-60.4122.2166.3-164.4-177.5-144.3-178.97.2104.6M349 S353 E354M349-R351 PolarHBondContact O-N 3.32Å; R351-S353 PolarHBondContact O-N 3.42Å; R351-E354 IonicContact NH1-OE1 3.31Å
352A32.9Very low42.5Very low91 Ų91135.9 Ų135.975%0.75272%0.718SS**  trans-33.4112.9170.800000108.3Y350 E354Y350-A352 PolarHBondContact O-N 2.96Å; A352-E354 PolarHBondContact O-N 2.88Å
353S36.8Very low44.4Very low103 Ų103136.9 Ų136.972%0.7272%0.717SS**  trans-41.3111.9-170.8-42.90000108.1R351 A355R351-S353 PolarHBondContact O-N 3.42Å; S353-A355 PolarHBondContact O-N 2.98Å
354E35.7Very low45.7Very low143 Ų143130.9 Ų130.967%0.66870%0.704SS**  trans-40.7127.1175.2-68.6172.7163.700107.2R351 A352 M356R351-E354 IonicContact NH1-OE1 3.31Å; A352-E354 PolarHBondContact O-N 2.88Å; E354-M356 PolarHBondContact O-N 3.36Å
355A36Very low47.3Very low98 Ų98125.4 Ų125.481%0.8167%0.672SS**  trans-37.4108.2-178.300000108.8S353S353-A355 PolarHBondContact O-N 2.98Å
356M44.3Very low49.1Very low114 Ų114125.9 Ų125.956%0.56267%0.666SS**  trans-44132.7-178.7-74.2-116.114600107.8E354 R358E354-M356 PolarHBondContact O-N 3.36Å; M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.48Å
357P50.2Low50.9Low120 Ų120121.3 Ų121.378%0.77966%0.656SS**  trans-55.7105.4178.622.4-31000106.2K359P357-K359 PolarHBondContact O-N 2.89Å
358R55.9Low52.5Low234 Ų234122.2 Ų122.288%0.88365%0.653SS**  trans-55.8122.3179-77178162.6169.2-3.8104.6M356 Q360M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.48Å; R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 2.86Å
359K59.6Low54Low75 Ų75117.1 Ų117.133%0.32663%0.625SS.*  trans-52.7105.9172-160.8176.6-174-172.80106.1P357 V361 E370 A371 R373 I375P357-K359 PolarHBondContact O-N 2.89Å; K359-V361 PolarHBondContact O-N 2.88Å; K359-E370 WeakPolarHBondContact CE-O 3.38Å; K359-E370 PolarHBondContact NZ-O 3.22Å; K359-A371 VanDerWaalsContact NZ-C 3.29Å; K359-A371 PolarHBondContact NZ-O 2.91Å; K359-R373 PolarHBondContact NZ-O 3.48Å; K359-I375 HydrophobicContact CD-CG1 4.5Å
360Q61.7Low55.9Low169 Ų169114.4 Ų114.479%0.7961%0.61SS**  trans-68.4109.3-175.2-118.6-1800.100106.1R358 N362R358-Q360 VanDerWaalsContact C-N 3.34Å; R358-Q360 PolarHBondContact O-N 2.86Å; Q360-N362 PolarHBondContact O-N 3.21Å
361V60.4Low57.2Low96 Ų96105.1 Ų105.158%0.58258%0.579SS**  trans-76.795.3175.7-174.70000106.6K359 L366K359-V361 PolarHBondContact O-N 2.88Å; V361-L366 HydrophobicContact CG1-CD1 3.72Å; V361-L366 HydrophobicContact CG1-CD2 3.75Å; V361-L366 HydrophobicContact CG1-CG 3.55Å
362N74.9Confident59Low77 Ų77103.9 Ų103.941%0.41258%0.581SS.*  trans-98.6159.8166.860.127.5000109.5Q360 S364 S365 L366Q360-N362 PolarHBondContact O-N 3.21Å; N362-S364 PolarHBondContact ND2-OG 3.32Å; N362-S364 PolarHBondContact O-N 2.73Å; N362-S364 PolarHBondContact OD1-OG 2.99Å; N362-S365 PolarHBondContact N-OG 2.92Å; N362-S365 VanDerWaalsContact N-OG 3.08Å; N362-S365 PolarHBondContact O-N 3.14Å; N362-S365 PolarHBondContact O-OG 2.69Å; N362-S365 WeakPolarHBondContact OD1-CA 3.42Å; N362-S365 WeakPolarHBondContact OD1-CB 3.3Å; N362-S365 PolarHBondContact OD1-N 3.16Å; N362-S365 PolarHBondContact OD1-OG 2.9Å; N362-L366 PolarHBondContact O-N 3.15Å; N362-L366 VanDerWaalsContact O-N 3.17Å
363I68.8Low60.8Low140 Ų140107.9 Ų107.972%0.71858%0.577SS**Hα-helixtrans-54.5-39.4-178.5-59.5172.4000110.3S365 L366 V367I363-S365 PolarHBondContact O-N 3.02Å; I363-L366 PolarHBondContact O-N 3.43Å; I363-V367 HydrophobicContact CG2-CG2 4.26Å; I363-V367 VanDerWaalsContact O-CG2 3.31Å; I363-V367 WeakPolarHBondContact O-CG2 3.3Å; I363-V367 PolarHBondContact O-N 3.08Å
364S61.3Low62.1Low76 Ų76108.5 Ų108.553%0.53158%0.578SS.*Hα-helixtrans-59.2-39174.333.30000113.8N362 S368N362-S364 PolarHBondContact ND2-OG 3.32Å; N362-S364 PolarHBondContact O-N 2.73Å; N362-S364 PolarHBondContact OD1-OG 2.99Å; S364-S368 VanDerWaalsContact O-CB 3.27Å; S364-S368 WeakPolarHBondContact O-CB 3.46Å; S364-S368 PolarHBondContact O-N 2.81Å; S364-S368 PolarHBondContact O-OG 2.8Å
365S66.2Low63.3Low10 Ų10106.9 Ų106.97%0.0757%0.573CS.*Hα-helixtrans-74-28.617872.40000113N362 I363 S368 E370 A371N362-S365 PolarHBondContact N-OG 2.92Å; N362-S365 VanDerWaalsContact N-OG 3.08Å; N362-S365 PolarHBondContact O-N 3.14Å; N362-S365 PolarHBondContact O-OG 2.69Å; N362-S365 WeakPolarHBondContact OD1-CA 3.42Å; N362-S365 WeakPolarHBondContact OD1-CB 3.3Å; N362-S365 PolarHBondContact OD1-N 3.16Å; N362-S365 PolarHBondContact OD1-OG 2.9Å; I363-S365 PolarHBondContact O-N 3.02Å; S365-S368 WeakPolarHBondContact CA-OG 3.13Å; S365-S368 PolarHBondContact O-OG 3.01Å; S365-E370 PolarHBondContact O-N 2.86Å; S365-A371 VanDerWaalsContact O-CB 3.25Å; S365-A371 WeakPolarHBondContact O-CB 3.28Å; S365-A371 PolarHBondContact O-N 2.64Å
366L71Confident64.2Low108 Ų108111 Ų11157%0.56558%0.575SS**Hα-helixtrans-73.5-43.7173.7-74.1168.7000111.1V361 N362 I363 G369 A371V361-L366 HydrophobicContact CG1-CD1 3.72Å; V361-L366 HydrophobicContact CG1-CD2 3.75Å; V361-L366 HydrophobicContact CG1-CG 3.55Å; N362-L366 PolarHBondContact O-N 3.15Å; N362-L366 VanDerWaalsContact O-N 3.17Å; I363-L366 PolarHBondContact O-N 3.43Å; L366-G369 PolarHBondContact O-N 3.15Å; L366-A371 HydrophobicContact CD2-CB 4.23Å
367V72.5Confident64.6Low124 Ų124111.5 Ų111.575%0.75258%0.576SS**Hα-helixtrans-73.1-32.5-178.6176.60000112.2I363 G369I363-V367 HydrophobicContact CG2-CG2 4.26Å; I363-V367 VanDerWaalsContact O-CG2 3.31Å; I363-V367 WeakPolarHBondContact O-CG2 3.3Å; I363-V367 PolarHBondContact O-N 3.08Å; V367-G369 VanDerWaalsContact C-N 3.3Å; V367-G369 PolarHBondContact O-N 2.84Å
368S69.3Low64.8Low74 Ų74111.3 Ų111.352%0.51758%0.575SS.*THydrogen-bonded Turntrans-81-4.9177.556.70000114.4S364 S365 E370S364-S368 VanDerWaalsContact O-CB 3.27Å; S364-S368 WeakPolarHBondContact O-CB 3.46Å; S364-S368 PolarHBondContact O-N 2.81Å; S364-S368 PolarHBondContact O-OG 2.8Å; S365-S368 WeakPolarHBondContact CA-OG 3.13Å; S365-S368 PolarHBondContact O-OG 3.01Å; S368-E370 PolarHBondContact O-N 3.21Å; S368-E370 VanDerWaalsContact O-N 3.1Å; S368-E370 WeakPolarHBondContact OG-CB 3.25Å; S368-E370 PolarHBondContact OG-N 2.76Å
369G73.6Confident65.1Low24 Ų24107 Ų10725%0.24757%0.568CS.*SBendtrans65.74.2-171.200000113.7L366 V367 A371 E372L366-G369 PolarHBondContact O-N 3.15Å; V367-G369 VanDerWaalsContact C-N 3.3Å; V367-G369 PolarHBondContact O-N 2.84Å; G369-A371 VanDerWaalsContact C-N 3.27Å; G369-A371 PolarHBondContact O-N 3.16Å; G369-E372 PolarHBondContact O-N 3.16Å
370E72.4Confident65.7Low114 Ų114109.5 Ų109.553%0.53359%0.59SS.*THydrogen-bonded Turntrans-65.2-35.2178.9-170.2174-174.900110.6K359 S365 S368 E372 R373K359-E370 WeakPolarHBondContact CE-O 3.38Å; K359-E370 PolarHBondContact NZ-O 3.22Å; S365-E370 PolarHBondContact O-N 2.86Å; S368-E370 PolarHBondContact O-N 3.21Å; S368-E370 VanDerWaalsContact O-N 3.1Å; S368-E370 WeakPolarHBondContact OG-CB 3.25Å; S368-E370 PolarHBondContact OG-N 2.76Å; E370-E372 PolarHBondContact O-N 2.94Å; E370-R373 PolarHBondContact O-N 3.37Å
371A64.8Low66.5Low25 Ų25106.4 Ų106.421%0.20758%0.578CS.*THydrogen-bonded Turntrans-57.8-33.1175.500000113K359 S365 L366 G369K359-A371 VanDerWaalsContact NZ-C 3.29Å; K359-A371 PolarHBondContact NZ-O 2.91Å; S365-A371 VanDerWaalsContact O-CB 3.25Å; S365-A371 WeakPolarHBondContact O-CB 3.28Å; S365-A371 PolarHBondContact O-N 2.64Å; L366-A371 HydrophobicContact CD2-CB 4.23Å; G369-A371 VanDerWaalsContact C-N 3.27Å; G369-A371 PolarHBondContact O-N 3.16Å
372E70.2Confident67.5Low166 Ų166104 Ų10478%0.77656%0.564SS**THydrogen-bonded Turntrans-79.9-17.2-178.3-59.9-175.7168.600113.6G369 E370G369-E372 PolarHBondContact O-N 3.16Å; E370-E372 PolarHBondContact O-N 2.94Å
373R70.9Confident67.8Low176 Ų176105.6 Ų105.666%0.66458%0.579SS**SBendtrans-65.6129.3178.9-68-173.7176.5169.50.2111K359 E370 I375K359-R373 PolarHBondContact NZ-O 3.48Å; E370-R373 PolarHBondContact O-N 3.37Å; R373-I375 PolarHBondContact O-N 3.49Å
374P64.2Low68.5Low115 Ų115107 Ų10775%0.74758%0.576SS**  trans-58.2138.917423.6-31.5000109.5Q376P374-Q376 PolarHBondContact O-N 3.12Å
375I61.7Low69.7Low109 Ų109106 Ų10656%0.55956%0.562SS**  trans-60.6110.1173.9-60.9171.9000106.3K359 R373 Q377K359-I375 HydrophobicContact CD-CG1 4.5Å; R373-I375 PolarHBondContact O-N 3.49Å; I375-Q377 VanDerWaalsContact C-N 3.28Å; I375-Q377 HydrophobicContact CG2-CG 4.31Å; I375-Q377 PolarHBondContact O-N 2.87Å
376Q53.5Low70.3Confident185 Ų185113.1 Ų113.186%0.86460%0.595SS**  trans-68.894170.5-67.1-171.517.900106.9P374P374-Q376 PolarHBondContact O-N 3.12Å
377Q53.9Low70.9Confident124 Ų124111.5 Ų111.558%0.57959%0.589SS**  trans-69.2128.8168.4-68.9-171.7-17.100107.3I375 I379I375-Q377 VanDerWaalsContact C-N 3.28Å; I375-Q377 HydrophobicContact CG2-CG 4.31Å; I375-Q377 PolarHBondContact O-N 2.87Å; Q377-I379 PolarHBondContact O-N 3.21Å
378P54Low71.5Confident116 Ų116107.6 Ų107.675%0.75357%0.57SS**  trans-60.6108.816025.5-29.4000106T380P378-T380 VanDerWaalsContact C-N 3.28Å; P378-T380 PolarHBondContact O-N 2.71Å
379I63.2Low72.4Confident143 Ų143108.6 Ų108.673%0.73357%0.567SS**  trans-64.396.4175.3-62.4169.1000105.7Q377 L381Q377-I379 PolarHBondContact O-N 3.21Å; I379-L381 VanDerWaalsContact C-N 3.34Å; I379-L381 HydrophobicContact CG2-CD2 3.91Å; I379-L381 PolarHBondContact O-N 3.47Å
380T71.7Confident73.1Confident129 Ų129114.7 Ų114.779%0.79158%0.583SS**  trans-69.7100.2166.343.80000106.4P378P378-T380 VanDerWaalsContact C-N 3.28Å; P378-T380 PolarHBondContact O-N 2.71Å
381L78.8Confident73.9Confident103 Ų103116.1 Ų116.154%0.53959%0.588SS.*  trans-57.8127.4178.2-65.4170.5000108.4I379 H385I379-L381 VanDerWaalsContact C-N 3.34Å; I379-L381 HydrophobicContact CG2-CD2 3.91Å; I379-L381 PolarHBondContact O-N 3.47Å; L381-H385 HydrophobicContact CB-CB 4.08Å
382P80.8Confident74.9Confident45 Ų45118.8 Ų118.829%0.29260%0.596SS.*  trans-63.2155.1179.824.4-32.3000110.6W384 H385P382-W384 HydrophobicContact CB-CD2 4.32Å; P382-W384 HydrophobicContact CB-CG 4.39Å; P382-W384 HydrophobicContact CB-CZ2 4.18Å; P382-W384 HydrophobicContact CG-CD2 3.96Å; P382-W384 HydrophobicContact CG-CE3 4.49Å; P382-W384 HydrophobicContact CG-CH2 3.96Å; P382-W384 HydrophobicContact CG-CZ2 3.37Å; P382-W384 HydrophobicContact CG-CZ3 4.48Å; P382-W384 PolarHBondContact O-N 2.89Å; P382-H385 HydrophobicContact CG-CB 4.33Å; P382-H385 WeakPolarHBondContact O-CB 3.38Å; P382-H385 PolarHBondContact O-N 2.85Å
383P80.9Confident75.8Confident112 Ų112113.3 Ų113.373%0.72758%0.575SS**Hα-helixtrans-55.6-31-175.4-25.432.6000114.1H385P383-H385 VanDerWaalsContact C-N 3.29Å; P383-H385 PolarHBondContact O-N 3.26Å
384W83.9Confident76.6Confident170 Ų170109.9 Ų109.964%0.64457%0.565SS**Hα-helixtrans-74.7-14.3178.457.8-104.2000113.9P382 Q386 T387 A388P382-W384 HydrophobicContact CB-CD2 4.32Å; P382-W384 HydrophobicContact CB-CG 4.39Å; P382-W384 HydrophobicContact CB-CZ2 4.18Å; P382-W384 HydrophobicContact CG-CD2 3.96Å; P382-W384 HydrophobicContact CG-CE3 4.49Å; P382-W384 HydrophobicContact CG-CH2 3.96Å; P382-W384 HydrophobicContact CG-CZ2 3.37Å; P382-W384 HydrophobicContact CG-CZ3 4.48Å; P382-W384 PolarHBondContact O-N 2.89Å; W384-Q386 PolarHBondContact O-N 2.91Å; W384-T387 PolarHBondContact O-N 3.5Å; W384-A388 HydrophobicContact CE3-CB 4.23Å; W384-A388 WeakPolarHBondContact O-CB 3.16Å; W384-A388 PolarHBondContact O-N 2.89Å
385H85.4Confident77.5Confident54 Ų54110.7 Ų110.725%0.2555%0.554CS.*Hα-helixtrans-61-44.6-179.9-174.6-79.8000111.4L381 P382 P383 T387 A388 E389L381-H385 HydrophobicContact CB-CB 4.08Å; P382-H385 HydrophobicContact CG-CB 4.33Å; P382-H385 WeakPolarHBondContact O-CB 3.38Å; P382-H385 PolarHBondContact O-N 2.85Å; P383-H385 VanDerWaalsContact C-N 3.29Å; P383-H385 PolarHBondContact O-N 3.26Å; H385-T387 VanDerWaalsContact C-N 3.33Å; H385-T387 PolarHBondContact O-N 3.4Å; H385-A388 PolarHBondContact O-N 3.49Å; H385-E389 IonicContact CE1-OE1 3.78Å; H385-E389 IonicContact NE2-OE1 3.23Å; H385-E389 WeakPolarHBondContact O-CG 3.28Å; H385-E389 PolarHBondContact O-N 2.77Å
386Q80.1Confident78.6Confident160 Ų160109.5 Ų109.575%0.74855%0.546SS*.Hα-helixtrans-62.4-42.1177.3-64.4-176.85.400111.6W384 A388 Y390W384-Q386 PolarHBondContact O-N 2.91Å; Q386-A388 VanDerWaalsContact C-N 3.33Å; Q386-A388 PolarHBondContact O-N 3.09Å; Q386-Y390 WeakPolarHBondContact O-CB 3.18Å; Q386-Y390 PolarHBondContact O-N 3.38Å
387T83.8Confident80Confident73 Ų73106.2 Ų106.245%0.44853%0.53SS..Hα-helixtrans-66.8-34.8176.7-47.80000111.9W384 H385 K391W384-T387 PolarHBondContact O-N 3.5Å; H385-T387 VanDerWaalsContact C-N 3.33Å; H385-T387 PolarHBondContact O-N 3.4Å; T387-K391 HydrophobicContact CG2-CD 4.48Å; T387-K391 WeakPolarHBondContact O-CB 3.48Å; T387-K391 VanDerWaalsContact O-CG 3.27Å; T387-K391 WeakPolarHBondContact O-CG 3.29Å; T387-K391 PolarHBondContact O-N 3.11Å
388A85.4Confident81.3Confident42 Ų42104.8 Ų104.835%0.34752%0.524SS..Hα-helixtrans-68.9-47.2176.300000111.5W384 H385 Q386 Y390 K391 H392W384-A388 HydrophobicContact CE3-CB 4.23Å; W384-A388 WeakPolarHBondContact O-CB 3.16Å; W384-A388 PolarHBondContact O-N 2.89Å; H385-A388 PolarHBondContact O-N 3.49Å; Q386-A388 VanDerWaalsContact C-N 3.33Å; Q386-A388 PolarHBondContact O-N 3.09Å; A388-Y390 VanDerWaalsContact C-N 3.34Å; A388-Y390 PolarHBondContact O-N 3.34Å; A388-K391 PolarHBondContact O-N 3.32Å; A388-H392 WeakPolarHBondContact O-CB 3.49Å; A388-H392 PolarHBondContact O-N 3.13Å
389E86.4Confident82.2Confident96 Ų96102.1 Ų102.145%0.44950%0.503SS..Hα-helixtrans-59.4-42.9174.1-73.3-63.3147.500111.9H385 H392 S393H385-E389 IonicContact CE1-OE1 3.78Å; H385-E389 IonicContact NE2-OE1 3.23Å; H385-E389 WeakPolarHBondContact O-CG 3.28Å; H385-E389 PolarHBondContact O-N 2.77Å; E389-H392 PolarHBondContact O-N 3.42Å; E389-S393 WeakPolarHBondContact O-CB 3.32Å; E389-S393 PolarHBondContact O-N 2.89Å; E389-S393 PolarHBondContact O-OG 3.27Å
390Y89.5Confident82.4Confident152 Ų152100.3 Ų100.360%0.59649%0.491SS*.Hα-helixtrans-63-45.9175.5175.6-106000112.2Q386 A388 H392 S393 K394Q386-Y390 WeakPolarHBondContact O-CB 3.18Å; Q386-Y390 PolarHBondContact O-N 3.38Å; A388-Y390 VanDerWaalsContact C-N 3.34Å; A388-Y390 PolarHBondContact O-N 3.34Å; Y390-H392 VanDerWaalsContact C-N 3.35Å; Y390-S393 PolarHBondContact O-N 3.33Å; Y390-K394 WeakPolarHBondContact O-CB 3.39Å; Y390-K394 PolarHBondContact O-N 3.5Å
391K88.4Confident82.3Confident144 Ų144101.3 Ų101.363%0.62649%0.487SS*.Hα-helixtrans-63.6-40.6175.8-76.6178.4179.2-1760111.7T387 A388 K394 W395T387-K391 HydrophobicContact CG2-CD 4.48Å; T387-K391 WeakPolarHBondContact O-CB 3.48Å; T387-K391 VanDerWaalsContact O-CG 3.27Å; T387-K391 WeakPolarHBondContact O-CG 3.29Å; T387-K391 PolarHBondContact O-N 3.11Å; A388-K391 PolarHBondContact O-N 3.32Å; K391-K394 PolarHBondContact O-N 3.23Å; K391-W395 VanDerWaalsContact O-CB 3.29Å; K391-W395 WeakPolarHBondContact O-CB 3.43Å; K391-W395 PolarHBondContact O-N 3.46Å
392H87Confident81.5Confident81 Ų81102.8 Ų102.838%0.37550%0.495SS..Hα-helixtrans-63.1-46.9177.2-175.19.1000111.4A388 E389 Y390 W395 Q396A388-H392 WeakPolarHBondContact O-CB 3.49Å; A388-H392 PolarHBondContact O-N 3.13Å; E389-H392 PolarHBondContact O-N 3.42Å; Y390-H392 VanDerWaalsContact C-N 3.35Å; H392-W395 AromaticContact CE1-CZ3 3.94Å; H392-W395 AromaticContact ND1-CE3 3.71Å; H392-W395 PolarHBondContact O-N 3.41Å; H392-Q396 VanDerWaalsContact CE1-CD 3.44Å; H392-Q396 PolarHBondContact CE1-NE2 2.86Å; H392-Q396 PolarHBondContact NE2-NE2 3.27Å; H392-Q396 PolarHBondContact O-N 3.01Å
393S87.9Confident80.3Confident50 Ų50103.1 Ų103.135%0.3549%0.494SS..Hα-helixtrans-61.7-44.6177.4-62.40000111.5E389 Y390 W395 Q396 Q397E389-S393 WeakPolarHBondContact O-CB 3.32Å; E389-S393 PolarHBondContact O-N 2.89Å; E389-S393 PolarHBondContact O-OG 3.27Å; Y390-S393 PolarHBondContact O-N 3.33Å; S393-W395 PolarHBondContact O-N 3.33Å; S393-Q396 PolarHBondContact O-N 3.26Å; S393-Q397 WeakPolarHBondContact O-CG 3.39Å; S393-Q397 PolarHBondContact O-N 3.47Å
394K87.5Confident79.4Confident104 Ų104102.7 Ų102.745%0.45249%0.491SS..Hα-helixtrans-64.1-40.7176.6-171.4176.3-178.7178.30111.9Y390 K391 Q397 Q398Y390-K394 WeakPolarHBondContact O-CB 3.39Å; Y390-K394 PolarHBondContact O-N 3.5Å; K391-K394 PolarHBondContact O-N 3.23Å; K394-Q397 PolarHBondContact O-N 3.15Å; K394-Q398 WeakPolarHBondContact O-CG 3.4Å; K394-Q398 PolarHBondContact O-N 2.93Å
395W84.1Confident78.5Confident132 Ų132101.6 Ų101.650%0.550%0.498SS..Hα-helixtrans-64.8-43.7175.5173.279.9000111.9K391 H392 S393 Q397 Q398 L399K391-W395 VanDerWaalsContact O-CB 3.29Å; K391-W395 WeakPolarHBondContact O-CB 3.43Å; K391-W395 PolarHBondContact O-N 3.46Å; H392-W395 AromaticContact CE1-CZ3 3.94Å; H392-W395 AromaticContact ND1-CE3 3.71Å; H392-W395 PolarHBondContact O-N 3.41Å; S393-W395 PolarHBondContact O-N 3.33Å; W395-Q397 PolarHBondContact O-N 3.43Å; W395-Q398 PolarHBondContact O-N 3.2Å; W395-L399 HydrophobicContact CD2-CD1 3.75Å; W395-L399 HydrophobicContact CE3-CD1 3.95Å; W395-L399 HydrophobicContact CH2-CD1 3.38Å; W395-L399 HydrophobicContact CZ2-CD1 3.14Å; W395-L399 HydrophobicContact CZ3-CD1 3.77Å; W395-L399 PolarHBondContact O-N 2.93Å
396Q84.1Confident77.4Confident84 Ų84103.9 Ų103.939%0.39351%0.512SS..Hα-helixtrans-61-42.9173.5-79179.7-18.600111.6H392 S393 Q398 L399 H400H392-Q396 VanDerWaalsContact CE1-CD 3.44Å; H392-Q396 PolarHBondContact CE1-NE2 2.86Å; H392-Q396 PolarHBondContact NE2-NE2 3.27Å; H392-Q396 PolarHBondContact O-N 3.01Å; S393-Q396 PolarHBondContact O-N 3.26Å; Q396-Q398 VanDerWaalsContact C-N 3.33Å; Q396-Q398 PolarHBondContact O-N 3.47Å; Q396-L399 WeakPolarHBondContact O-CB 3.28Å; Q396-L399 PolarHBondContact O-N 2.88Å; Q396-H400 PolarHBondContact O-N 3.28Å; Q396-H400 PolarHBondContact O-ND1 3.13Å
397Q83Confident76.3Confident117 Ų117101.2 Ų101.255%0.54750%0.499SS..Hα-helixtrans-63-38.1175.2-75.2178.14.900112.5S393 K394 W395 H400 Q401S393-Q397 WeakPolarHBondContact O-CG 3.39Å; S393-Q397 PolarHBondContact O-N 3.47Å; K394-Q397 PolarHBondContact O-N 3.15Å; W395-Q397 PolarHBondContact O-N 3.43Å; Q397-H400 PolarHBondContact O-N 3.35Å; Q397-Q401 WeakPolarHBondContact O-CG 3.44Å; Q397-Q401 PolarHBondContact O-N 2.99Å; Q397-Q401 VanDerWaalsContact O-N 3.14Å; Q397-Q401 PolarHBondContact O-NE2 3.35Å
398Q81.4Confident75Confident94 Ų94102.8 Ų102.844%0.43951%0.511SS..Hα-helixtrans-69.1-38.3175.5-76.1178.6-12.900112.1K394 W395 Q396 H400 Q401 L402K394-Q398 WeakPolarHBondContact O-CG 3.4Å; K394-Q398 PolarHBondContact O-N 2.93Å; W395-Q398 PolarHBondContact O-N 3.2Å; Q396-Q398 VanDerWaalsContact C-N 3.33Å; Q396-Q398 PolarHBondContact O-N 3.47Å; Q398-H400 VanDerWaalsContact C-N 3.34Å; Q398-H400 PolarHBondContact O-N 3.32Å; Q398-Q401 PolarHBondContact O-N 2.83Å; Q398-Q401 VanDerWaalsContact O-N 3.12Å; Q398-L402 WeakPolarHBondContact O-CB 3.45Å; Q398-L402 WeakPolarHBondContact O-CG 3.38Å; Q398-L402 PolarHBondContact O-N 2.82Å
399L73.3Confident73.7Confident60 Ų60110 Ų11031%0.31453%0.534SS..Hα-helixtrans-59.2-44.6172.5-112.9149000111.8W395 Q396 Q401W395-L399 HydrophobicContact CD2-CD1 3.75Å; W395-L399 HydrophobicContact CE3-CD1 3.95Å; W395-L399 HydrophobicContact CH2-CD1 3.38Å; W395-L399 HydrophobicContact CZ2-CD1 3.14Å; W395-L399 HydrophobicContact CZ3-CD1 3.77Å; W395-L399 PolarHBondContact O-N 2.93Å; Q396-L399 WeakPolarHBondContact O-CB 3.28Å; Q396-L399 PolarHBondContact O-N 2.88Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 2.71Å
400H67.4Low72.5Confident105 Ų105110 Ų11049%0.48655%0.551SS.*Hα-helixtrans-68-22.3175.6-65.8120000113.6Q396 Q397 Q398Q396-H400 PolarHBondContact O-N 3.28Å; Q396-H400 PolarHBondContact O-ND1 3.13Å; Q397-H400 PolarHBondContact O-N 3.35Å; Q398-H400 VanDerWaalsContact C-N 3.34Å; Q398-H400 PolarHBondContact O-N 3.32Å
401Q69.4Low71Confident149 Ų149107.7 Ų107.770%0.69655%0.552SS**Hα-helixtrans-89.7-30.4179.5-78.2174.161.300113.9Q397 Q398 L399Q397-Q401 WeakPolarHBondContact O-CG 3.44Å; Q397-Q401 PolarHBondContact O-N 2.99Å; Q397-Q401 VanDerWaalsContact O-N 3.14Å; Q397-Q401 PolarHBondContact O-NE2 3.35Å; Q398-Q401 PolarHBondContact O-N 2.83Å; Q398-Q401 VanDerWaalsContact O-N 3.12Å; L399-Q401 VanDerWaalsContact C-N 3.26Å; L399-Q401 PolarHBondContact O-N 2.71Å
402L62.3Low69.7Low135 Ų135105 Ų10571%0.70755%0.55SS*.Hα-helixtrans-82.9-22.1-172.7-74.3168.4000113.4Q398Q398-L402 WeakPolarHBondContact O-CB 3.45Å; Q398-L402 WeakPolarHBondContact O-CG 3.38Å; Q398-L402 PolarHBondContact O-N 2.82Å
403D56.1Low68.6Low51 Ų51106.3 Ų106.327%0.27357%0.574SS.*  trans-161106.9178.8-171.21.9000113.7N405 N406D403-N405 PolarHBondContact O-N 2.77Å; D403-N405 VanDerWaalsContact O-N 3.16Å; D403-N405 WeakPolarHBondContact OD1-CA 3.42Å; D403-N405 VanDerWaalsContact OD1-CB 3.3Å; D403-N405 WeakPolarHBondContact OD1-CB 3.27Å; D403-N405 PolarHBondContact OD1-N 3.36Å; D403-N406 HydrophobicContact CB-CB 4Å; D403-N406 PolarHBondContact O-N 2.97Å; D403-N406 VanDerWaalsContact O-N 3.15Å; D403-N406 PolarHBondContact OD2-ND2 3.48Å
404P61.6Low67.6Low103 Ų103111.5 Ų111.567%0.66960%0.598SS**G310 helixtrans-58.6-21.2171.3-21.432.1000114Q407P404-Q407 VanDerWaalsContact O-CG 3.3Å; P404-Q407 WeakPolarHBondContact O-CG 3.46Å
405N65.6Low66.6Low147 Ų147108.7 Ų108.779%0.78659%0.594SS**G310 helixtrans-87.7-11.2178.6-76.4-24.7000114D403 Q407D403-N405 PolarHBondContact O-N 2.77Å; D403-N405 VanDerWaalsContact O-N 3.16Å; D403-N405 WeakPolarHBondContact OD1-CA 3.42Å; D403-N405 VanDerWaalsContact OD1-CB 3.3Å; D403-N405 WeakPolarHBondContact OD1-CB 3.27Å; D403-N405 PolarHBondContact OD1-N 3.36Å; N405-Q407 VanDerWaalsContact C-N 3.33Å
406N60.7Low66.1Low102 Ų102107 Ų10755%0.54560%0.599SS.*G310 helixtrans-95.616.8173.8-92.7-45.5000113.3D403D403-N406 HydrophobicContact CB-CB 4Å; D403-N406 PolarHBondContact O-N 2.97Å; D403-N406 VanDerWaalsContact O-N 3.15Å; D403-N406 PolarHBondContact OD2-ND2 3.48Å
407Q56.7Low65.7Low104 Ų104105.6 Ų105.649%0.48660%0.597SS.*SBendtrans-52.2127.5161.7-71.7-82.5-1400108.1P404 N405 K409P404-Q407 VanDerWaalsContact O-CG 3.3Å; P404-Q407 WeakPolarHBondContact O-CG 3.46Å; N405-Q407 VanDerWaalsContact C-N 3.33Å; Q407-K409 PolarHBondContact O-N 3.48Å
408P56.6Low65.5Low106 Ų106104 Ų10469%0.68860%0.598SS**  trans-55.1112.4173.421.9-30.1000106.9A410P408-A410 PolarHBondContact O-N 3.09Å
409K59.4Low65.5Low193 Ų193108 Ų10884%0.83961%0.61SS**  trans-51.7114.1175.9-77.2177.5-179.6173.90106.1Q407 V411Q407-K409 PolarHBondContact O-N 3.48Å; K409-V411 PolarHBondContact O-N 2.77Å
410A59.8Low65.9Low96 Ų96105.9 Ų105.979%0.79360%0.601SS**  trans-55.4105.2175.800000106.7P408 P412P408-A410 PolarHBondContact O-N 3.09Å; A410-P412 WeakPolarHBondContact O-CD 3.27Å
411V58.6Low66.5Low104 Ų104109.8 Ų109.863%0.6361%0.611SS**  trans-64120.6171.21780000104.5K409 A413 A415K409-V411 PolarHBondContact O-N 2.77Å; V411-A413 PolarHBondContact O-N 3.47Å; V411-A415 HydrophobicContact CG1-CB 3.87Å
412P62.2Low67.1Low89 Ų89110.2 Ų110.258%0.57861%0.607SS**  trans-53.6136178.112.2-19.8000108.5A410 D414 A415A410-P412 WeakPolarHBondContact O-CD 3.27Å; P412-D414 PolarHBondContact O-N 3.24Å; P412-A415 HydrophobicContact CG-CB 4.03Å; P412-A415 WeakPolarHBondContact O-CB 3.5Å; P412-A415 PolarHBondContact O-N 3.05Å
413A63.1Low68.1Low108 Ų108106.1 Ų106.189%0.89359%0.592SS**THydrogen-bonded Turntrans-55.2-21-174.300000113.3V411V411-A413 PolarHBondContact O-N 3.47Å
414D66.2Low69.5Low158 Ų158108.9 Ų108.985%0.84560%0.603SS**THydrogen-bonded Turntrans-88.3-7.8178.8-58.4-35000114.4P412 T416P412-D414 PolarHBondContact O-N 3.24Å; D414-T416 PolarHBondContact O-N 3.12Å
415A68.1Low70.8Confident45 Ų45110.5 Ų110.537%0.37260%0.602SS.*SBendtrans-85.1109.6177.800000110.2V411 P412V411-A415 HydrophobicContact CG1-CB 3.87Å; P412-A415 HydrophobicContact CG-CB 4.03Å; P412-A415 WeakPolarHBondContact O-CB 3.5Å; P412-A415 PolarHBondContact O-N 3.05Å
416T72.2Confident71.8Confident97 Ų97108.2 Ų108.260%0.59559%0.585SS**  trans-52.9125.3170.554.70000109.1D414D414-T416 PolarHBondContact O-N 3.12Å
417P76.2Confident73.1Confident55 Ų55109.4 Ų109.436%0.35759%0.587SS.*  trans-60.6149.6-179.325.5-34.6000110.2W419 A420P417-W419 HydrophobicContact CB-CG 4.34Å; P417-W419 VanDerWaalsContact CB-NE1 3.33Å; P417-W419 HydrophobicContact CG-CD2 4.17Å; P417-W419 HydrophobicContact CG-CG 4.38Å; P417-W419 HydrophobicContact CG-CZ2 3.66Å; P417-W419 PolarHBondContact O-N 2.9Å; P417-A420 HydrophobicContact CG-CB 4.11Å; P417-A420 VanDerWaalsContact O-CB 3.3Å; P417-A420 WeakPolarHBondContact O-CB 3.4Å; P417-A420 PolarHBondContact O-N 2.92Å
418S78.9Confident74.4Confident82 Ų82112.2 Ų112.257%0.57360%0.595SS**Hα-helixtrans-58.2-25.3-173.462.30000114R422S418-R422 PolarHBondContact O-N 2.87Å; S418-R422 VanDerWaalsContact O-N 3.15Å
419W80.5Confident75.8Confident179 Ų179109.3 Ų109.368%0.67858%0.577SS**Hα-helixtrans-68.4-32.7172.868.3-103.7000112.8P417 R422 A423P417-W419 HydrophobicContact CB-CG 4.34Å; P417-W419 VanDerWaalsContact CB-NE1 3.33Å; P417-W419 HydrophobicContact CG-CD2 4.17Å; P417-W419 HydrophobicContact CG-CG 4.38Å; P417-W419 HydrophobicContact CG-CZ2 3.66Å; P417-W419 PolarHBondContact O-N 2.9Å; W419-R422 PolarHBondContact O-N 3.35Å; W419-A423 VanDerWaalsContact O-CB 3.28Å; W419-A423 WeakPolarHBondContact O-CB 3.48Å; W419-A423 PolarHBondContact O-N 2.95Å
420A82.7Confident76.9Confident15 Ų15109.1 Ų109.112%0.12457%0.571CS.*Hα-helixtrans-66-44.8177.900000110P417 R422 A423 E424P417-A420 HydrophobicContact CG-CB 4.11Å; P417-A420 VanDerWaalsContact O-CB 3.3Å; P417-A420 WeakPolarHBondContact O-CB 3.4Å; P417-A420 PolarHBondContact O-N 2.92Å; A420-R422 PolarHBondContact O-N 3.49Å; A420-A423 PolarHBondContact O-N 2.98Å; A420-A423 VanDerWaalsContact O-N 3.15Å; A420-E424 WeakPolarHBondContact O-CG 3.43Å; A420-E424 PolarHBondContact O-N 3.27Å
421R79.8Confident78Confident188 Ų188109.5 Ų109.571%0.70956%0.556SS**Hα-helixtrans-60.3-42.7173.6-167.9179.8-176127.50112.5E425R421-E425 WeakPolarHBondContact O-CB 3.04Å; R421-E425 PolarHBondContact O-N 3.22Å
422R82.1Confident79.2Confident158 Ų158113.5 Ų113.560%0.59656%0.56SS**Hα-helixtrans-66.9-35.8174.9-71.9-172.9-142.8159.74112.5S418 W419 A420 K426S418-R422 PolarHBondContact O-N 2.87Å; S418-R422 VanDerWaalsContact O-N 3.15Å; W419-R422 PolarHBondContact O-N 3.35Å; A420-R422 PolarHBondContact O-N 3.49Å; R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 VanDerWaalsContact O-CG 3.27Å; R422-K426 WeakPolarHBondContact O-CG 3.43Å; R422-K426 PolarHBondContact O-N 3.02Å
423A84Confident79.9Confident49 Ų49115.1 Ų115.141%0.40556%0.56SS.*Hα-helixtrans-67.3-43.1177.600000111W419 A420 K426 Q427W419-A423 VanDerWaalsContact O-CB 3.28Å; W419-A423 WeakPolarHBondContact O-CB 3.48Å; W419-A423 PolarHBondContact O-N 2.95Å; A420-A423 PolarHBondContact O-N 2.98Å; A420-A423 VanDerWaalsContact O-N 3.15Å; A423-K426 PolarHBondContact O-N 2.68Å; A423-Q427 WeakPolarHBondContact O-CB 3.22Å; A423-Q427 PolarHBondContact O-N 2.84Å
424E85.5Confident80.6Confident108 Ų108112.1 Ų112.151%0.50554%0.54SS..Hα-helixtrans-61.1-47.6172.7-73.4175-178.200111.5A420 K426 Q427 Y428A420-E424 WeakPolarHBondContact O-CG 3.43Å; A420-E424 PolarHBondContact O-N 3.27Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 PolarHBondContact O-N 3.49Å; E424-Q427 WeakPolarHBondContact O-CB 3.46Å; E424-Q427 PolarHBondContact O-N 3.31Å; E424-Q427 VanDerWaalsContact O-N 3.13Å; E424-Y428 VanDerWaalsContact O-CD2 3.28Å; E424-Y428 WeakPolarHBondContact O-CD2 3.38Å; E424-Y428 PolarHBondContact O-N 2.95Å
425E87.9Confident80.8Confident137 Ų137110.8 Ų110.864%0.6453%0.528SS*.Hα-helixtrans-59.4-40.9176.7-172.7179.2-175.500111.7R421 Y428 S429R421-E425 WeakPolarHBondContact O-CB 3.04Å; R421-E425 PolarHBondContact O-N 3.22Å; E425-Y428 PolarHBondContact O-N 3.23Å; E425-S429 WeakPolarHBondContact O-CB 3.46Å; E425-S429 PolarHBondContact O-N 3.13Å
426K87.7Confident81Confident99 Ų99114 Ų11443%0.4354%0.543SS..Hα-helixtrans-65.8-42.3174.5-75.3-68.7-177.1-174.70112R422 A423 E424 S429 W430R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 VanDerWaalsContact O-CG 3.27Å; R422-K426 WeakPolarHBondContact O-CG 3.43Å; R422-K426 PolarHBondContact O-N 3.02Å; A423-K426 PolarHBondContact O-N 2.68Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 PolarHBondContact O-N 3.49Å; K426-S429 WeakPolarHBondContact CA-OG 3.41Å; K426-S429 PolarHBondContact O-N 2.86Å; K426-S429 PolarHBondContact O-OG 2.98Å; K426-W430 WeakPolarHBondContact O-CB 3.41Å; K426-W430 PolarHBondContact O-N 2.88Å
427Q86.6Confident80.4Confident127 Ų127116.2 Ų116.259%0.59355%0.549SS*.Hα-helixtrans-59.1-47.4175-178.6179.7-25.900111.3A423 E424 S429 W430 Q431A423-Q427 WeakPolarHBondContact O-CB 3.22Å; A423-Q427 PolarHBondContact O-N 2.84Å; E424-Q427 WeakPolarHBondContact O-CB 3.46Å; E424-Q427 PolarHBondContact O-N 3.31Å; E424-Q427 VanDerWaalsContact O-N 3.13Å; Q427-S429 VanDerWaalsContact C-N 3.33Å; Q427-S429 PolarHBondContact O-N 3.38Å; Q427-W430 PolarHBondContact O-N 3.31Å; Q427-Q431 WeakPolarHBondContact O-CB 3.37Å; Q427-Q431 PolarHBondContact O-N 3.31Å
428Y85.2Confident79.4Confident163 Ų163117.6 Ų117.664%0.63955%0.553SS**Hα-helixtrans-61.1-40.3174.6-85.4-73.9000112.3E424 E425 Q431 R432E424-Y428 VanDerWaalsContact O-CD2 3.28Å; E424-Y428 WeakPolarHBondContact O-CD2 3.38Å; E424-Y428 PolarHBondContact O-N 2.95Å; E425-Y428 PolarHBondContact O-N 3.23Å; Y428-Q431 PolarHBondContact O-N 2.95Å; Y428-R432 PolarHBondContact O-N 3.5Å
429S85.2Confident78.4Confident45 Ų45118.7 Ų118.732%0.31556%0.558SS.*Hα-helixtrans-65.6-39.4177.177.50000112.5E425 K426 Q427 Q433E425-S429 WeakPolarHBondContact O-CB 3.46Å; E425-S429 PolarHBondContact O-N 3.13Å; K426-S429 WeakPolarHBondContact CA-OG 3.41Å; K426-S429 PolarHBondContact O-N 2.86Å; K426-S429 PolarHBondContact O-OG 2.98Å; Q427-S429 VanDerWaalsContact C-N 3.33Å; Q427-S429 PolarHBondContact O-N 3.38Å; S429-Q433 WeakPolarHBondContact O-CB 3.21Å; S429-Q433 WeakPolarHBondContact O-CG 3.3Å; S429-Q433 PolarHBondContact O-N 3.02Å
430W81.6Confident77.5Confident189 Ų189113.3 Ų113.372%0.71655%0.548SS*.Hα-helixtrans-70.8-38.6177-775.3000112K426 Q427 Q433 G434K426-W430 WeakPolarHBondContact O-CB 3.41Å; K426-W430 PolarHBondContact O-N 2.88Å; Q427-W430 PolarHBondContact O-N 3.31Å; W430-Q433 PolarHBondContact O-N 2.92Å; W430-G434 PolarHBondContact O-N 2.8Å
431Q84Confident76.4Confident104 Ų104122.9 Ų122.949%0.48658%0.581SS.*Hα-helixtrans-64-46.3175.8-170.81682.600110.9Q427 Y428 Q433 G434 E435Q427-Q431 WeakPolarHBondContact O-CB 3.37Å; Q427-Q431 PolarHBondContact O-N 3.31Å; Y428-Q431 PolarHBondContact O-N 2.95Å; Q431-Q433 PolarHBondContact O-N 2.95Å; Q431-G434 PolarHBondContact O-N 3.17Å; Q431-E435 WeakPolarHBondContact O-CG 3.15Å; Q431-E435 PolarHBondContact O-N 3.35Å
432R83.1Confident75.3Confident188 Ų188119.8 Ų119.871%0.70958%0.578SS**Hα-helixtrans-61.9-42.3173.1-79.8-147.2-105.1-165-6.2112.7Y428 G434 E435 T436Y428-R432 PolarHBondContact O-N 3.5Å; R432-G434 VanDerWaalsContact C-N 3.34Å; R432-G434 PolarHBondContact O-N 2.61Å; R432-E435 PolarHBondContact O-N 3.38Å; R432-T436 PolarHBondContact O-N 2.73Å; R432-T436 PolarHBondContact O-OG1 2.86Å
433Q78.1Confident74.2Confident124 Ų124122 Ų12258%0.57959%0.587SS**Hα-helixtrans-63.3-40.5176.3-80.8-169.2-22.800112.1S429 W430 Q431 T436 M437S429-Q433 WeakPolarHBondContact O-CB 3.21Å; S429-Q433 WeakPolarHBondContact O-CG 3.3Å; S429-Q433 PolarHBondContact O-N 3.02Å; W430-Q433 PolarHBondContact O-N 2.92Å; Q431-Q433 PolarHBondContact O-N 2.95Å; Q433-T436 WeakPolarHBondContact CA-OG1 3.29Å; Q433-T436 PolarHBondContact O-N 2.79Å; Q433-T436 PolarHBondContact O-OG1 3.48Å; Q433-M437 VanDerWaalsContact O-CB 3.3Å; Q433-M437 WeakPolarHBondContact O-CB 3.44Å; Q433-M437 WeakPolarHBondContact O-CG 3.11Å; Q433-M437 PolarHBondContact O-N 3.14Å
434G76.4Confident73.1Confident45 Ų45124.7 Ų124.746%0.46460%0.6SS.*Hα-helixtrans-64.6-35.7175.300000113.2W430 Q431 R432W430-G434 PolarHBondContact O-N 2.8Å; Q431-G434 PolarHBondContact O-N 3.17Å; R432-G434 VanDerWaalsContact C-N 3.34Å; R432-G434 PolarHBondContact O-N 2.61Å
435E71.5Confident71.9Confident129 Ų129124.9 Ų124.960%0.60361%0.61SS**Hα-helixtrans-71.9-34.2174-72.7172.7-172.400112.7Q431 R432Q431-E435 WeakPolarHBondContact O-CG 3.15Å; Q431-E435 PolarHBondContact O-N 3.35Å; R432-E435 PolarHBondContact O-N 3.38Å
436T72.7Confident70.5Confident112 Ų112123.9 Ų123.969%0.68762%0.616SS**Hα-helixtrans-82.3-18.1175.549.30000114.5R432 Q433 D438R432-T436 PolarHBondContact O-N 2.73Å; R432-T436 PolarHBondContact O-OG1 2.86Å; Q433-T436 WeakPolarHBondContact CA-OG1 3.29Å; Q433-T436 PolarHBondContact O-N 2.79Å; Q433-T436 PolarHBondContact O-OG1 3.48Å; T436-D438 PolarHBondContact O-N 3.02Å
437M58.4Low68.9Low145 Ų145130.9 Ų130.971%0.71464%0.64SS**SBendtrans-80.4101.9177.9-81.4-115.5145.200110.2Q433Q433-M437 VanDerWaalsContact O-CB 3.3Å; Q433-M437 WeakPolarHBondContact O-CB 3.44Å; Q433-M437 WeakPolarHBondContact O-CG 3.11Å; Q433-M437 PolarHBondContact O-N 3.14Å
438D54.8Low67.3Low84 Ų84128.9 Ų128.945%0.44964%0.64SS.*  trans46.4105.8166.3-167.12.7000116.6T436 S440 W441T436-D438 PolarHBondContact O-N 3.02Å; D438-S440 PolarHBondContact O-N 3.41Å; D438-S440 VanDerWaalsContact OD1-CB 3.22Å; D438-S440 WeakPolarHBondContact OD1-CB 3.2Å; D438-S440 PolarHBondContact OD1-N 3.23Å; D438-S440 PolarHBondContact OD1-OG 2.71Å; D438-S440 WeakPolarHBondContact OD2-CB 3.46Å; D438-S440 PolarHBondContact OD2-OG 2.98Å; D438-W441 PolarHBondContact O-N 2.83Å
439P59.6Low66.2Low105 Ų105127.8 Ų127.868%0.68265%0.651SS**THydrogen-bonded Turntrans-52.1-17.1172.1-2331.6000114.5W441 N442 R443P439-W441 PolarHBondContact O-N 3.31Å; P439-N442 PolarHBondContact O-N 2.99Å; P439-R443 PolarHBondContact O-N 3.39Å
440S60.5Low65.5Low65 Ų65130.6 Ų130.646%0.45566%0.662SS.*THydrogen-bonded Turntrans-62.6-27.6175.382.80000113.5D438 R443D438-S440 PolarHBondContact O-N 3.41Å; D438-S440 VanDerWaalsContact OD1-CB 3.22Å; D438-S440 WeakPolarHBondContact OD1-CB 3.2Å; D438-S440 PolarHBondContact OD1-N 3.23Å; D438-S440 PolarHBondContact OD1-OG 2.71Å; D438-S440 WeakPolarHBondContact OD2-CB 3.46Å; D438-S440 PolarHBondContact OD2-OG 2.98Å; S440-R443 PolarHBondContact O-N 2.93Å
441W58.8Low65.3Low217 Ų217124.5 Ų124.582%0.82265%0.647SS**THydrogen-bonded Turntrans-80.9-21.8177.3-7085.9000113.2D438 P439D438-W441 PolarHBondContact O-N 2.83Å; P439-W441 PolarHBondContact O-N 3.31Å
442N58.3Low65.1Low122 Ų122122.6 Ų122.665%0.65264%0.643SS**THydrogen-bonded Turntrans-94.65.2173-80-36.1000113P439 P444P439-N442 PolarHBondContact O-N 2.99Å; N442-P444 WeakPolarHBondContact O-CD 3.43Å
443R59.3Low65.1Low205 Ų205118.6 Ų118.677%0.77464%0.644SS**SBendtrans-68122.2171.8-122.2179.2-160.6-124.72.7107.9P439 S440P439-R443 PolarHBondContact O-N 3.39Å; S440-R443 PolarHBondContact O-N 2.93Å
444P60.5Low65.4Low106 Ų106121.3 Ų121.369%0.68865%0.649SS**PPolyproline II helixtrans-53.7136.3167.722.4-30.6000107.4N442N442-P444 WeakPolarHBondContact O-CD 3.43Å
445P60.4Low65.9Low111 Ų111120.3 Ų120.372%0.72164%0.636SS**PPolyproline II helixtrans-50.9139.717719.9-30.5000107.9R447P445-R447 PolarHBondContact O-N 2.89Å; P445-R447 VanDerWaalsContact O-N 3.16Å
446P58.7Low66.4Low117 Ų117119.3 Ų119.376%0.7663%0.63SS**PPolyproline II helixtrans-49.1132.4175.921.2-31.3000107.3S448P446-S448 PolarHBondContact O-N 3.4Å
447R54Low67Low245 Ų245123.1 Ų123.193%0.92563%0.632SS**  trans-64.271.4173.7-69-176.4-179.7-171.30.6108.1P445 T449P445-R447 PolarHBondContact O-N 2.89Å; P445-R447 VanDerWaalsContact O-N 3.16Å; R447-T449 PolarHBondContact O-N 3.35Å; R447-T449 VanDerWaalsContact O-N 3.14Å
448S52.2Low68.3Low86 Ų86118.6 Ų118.660%0.60162%0.617SS**  trans-69.7104.7165.61790000104.5P446 D450P446-S448 PolarHBondContact O-N 3.4Å; S448-D450 PolarHBondContact O-N 2.73Å; S448-D450 PolarHBondContact OG-O 3.03Å
449T62.2Low69.8Low140 Ų140119.7 Ų119.786%0.85962%0.62SS**SBendtrans-58.4-12.8176.5-30.70000111.8R447R447-T449 PolarHBondContact O-N 3.35Å; R447-T449 VanDerWaalsContact O-N 3.14Å
450D70.9Confident71.3Confident104 Ų104121.5 Ų121.556%0.55662%0.617SS**SBendtrans-104.8125.3172.3-79.4-61.1000112.3S448 K456S448-D450 PolarHBondContact O-N 2.73Å; S448-D450 PolarHBondContact OG-O 3.03Å; D450-K456 IonicContact OD1-NZ 3.82Å
451P76.5Confident72.6Confident61 Ų61121.4 Ų121.440%0.39661%0.613SS.*  trans-64.6145.2171.127.8-33.1000109.8A455 K456P451-A455 HydrophobicContact CB-CB 3.98Å; P451-K456 HydrophobicContact CG-CG 4.09Å
452P80.8Confident74.1Confident64 Ų64116.1 Ų116.142%0.41660%0.598SS.*  trans-58.2153.5179.724.3-33.7000111.3W454 A455 K456P452-W454 HydrophobicContact CB-CG 4.43Å; P452-W454 HydrophobicContact CG-CD2 4.25Å; P452-W454 VanDerWaalsContact CG-CE2 3.47Å; P452-W454 HydrophobicContact CG-CG 4.47Å; P452-W454 HydrophobicContact CG-CZ2 3.75Å; P452-W454 VanDerWaalsContact CG-NE1 3.27Å; P452-W454 PolarHBondContact O-N 2.95Å; P452-W454 VanDerWaalsContact O-N 3.08Å; P452-A455 HydrophobicContact CG-CB 3.97Å; P452-A455 WeakPolarHBondContact O-CA 3.3Å; P452-A455 VanDerWaalsContact O-CB 3.31Å; P452-A455 WeakPolarHBondContact O-CB 3.38Å; P452-A455 PolarHBondContact O-N 3.4Å; P452-K456 PolarHBondContact O-N 3.4Å
453S82Confident75.7Confident104 Ų104115.7 Ų115.773%0.72759%0.592SS**Hα-helixtrans-56.6-31.6-173.6630000113.8A455 K456 R457S453-A455 VanDerWaalsContact C-N 3.33Å; S453-K456 PolarHBondContact O-N 2.96Å; S453-R457 PolarHBondContact O-N 3.46Å; S453-R457 VanDerWaalsContact O-N 3.08Å
454W84.5Confident77.1Confident181 Ų181111.1 Ų111.169%0.68658%0.582SS**Hα-helixtrans-67.3-31.6173.968.2-102.6000112.5P452 R457 A458P452-W454 HydrophobicContact CB-CG 4.43Å; P452-W454 HydrophobicContact CG-CD2 4.25Å; P452-W454 VanDerWaalsContact CG-CE2 3.47Å; P452-W454 HydrophobicContact CG-CG 4.47Å; P452-W454 HydrophobicContact CG-CZ2 3.75Å; P452-W454 VanDerWaalsContact CG-NE1 3.27Å; P452-W454 PolarHBondContact O-N 2.95Å; P452-W454 VanDerWaalsContact O-N 3.08Å; W454-R457 PolarHBondContact O-N 2.87Å; W454-A458 VanDerWaalsContact O-CB 3.3Å; W454-A458 WeakPolarHBondContact O-CB 3.35Å; W454-A458 PolarHBondContact O-N 3.27Å
455A86.3Confident78.3Confident23 Ų23115.3 Ų115.319%0.1959%0.585CS.*Hα-helixtrans-71.1-41.3177.400000110.9P451 P452 S453 R457 A458 E459P451-A455 HydrophobicContact CB-CB 3.98Å; P452-A455 HydrophobicContact CG-CB 3.97Å; P452-A455 WeakPolarHBondContact O-CA 3.3Å; P452-A455 VanDerWaalsContact O-CB 3.31Å; P452-A455 WeakPolarHBondContact O-CB 3.38Å; P452-A455 PolarHBondContact O-N 3.4Å; S453-A455 VanDerWaalsContact C-N 3.33Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 3.02Å; A455-A458 PolarHBondContact O-N 3.02Å; A455-E459 WeakPolarHBondContact O-CB 3.29Å; A455-E459 PolarHBondContact O-N 3.21Å
456K83.3Confident79.7Confident108 Ų108117.2 Ų117.247%0.4758%0.578SS.*Hα-helixtrans-60.5-39.5170.6-64.6-174.1-178.2-179.60111.6D450 P451 P452 S453 K460D450-K456 IonicContact OD1-NZ 3.82Å; P451-K456 HydrophobicContact CG-CG 4.09Å; P452-K456 PolarHBondContact O-N 3.4Å; S453-K456 PolarHBondContact O-N 2.96Å; K456-K460 PolarHBondContact O-N 3.44Å; K456-K460 VanDerWaalsContact O-N 3.12Å
457R84.8Confident81.2Confident193 Ų193118 Ų11873%0.72857%0.571SS**Hα-helixtrans-66.3-43.9174.8-175.7179.7-75.3171.6-4111.8S453 W454 A455 K460 T461S453-R457 PolarHBondContact O-N 3.46Å; S453-R457 VanDerWaalsContact O-N 3.08Å; W454-R457 PolarHBondContact O-N 2.87Å; A455-R457 VanDerWaalsContact C-N 3.3Å; A455-R457 PolarHBondContact O-N 3.02Å; R457-K460 PolarHBondContact O-N 3.09Å; R457-T461 PolarHBondContact O-N 3.04Å; R457-T461 PolarHBondContact O-OG1 2.99Å; R457-T461 VanDerWaalsContact O-OG1 3.11Å
458A85.7Confident82.8Confident49 Ų49111.8 Ų111.841%0.40555%0.552SS.*Hα-helixtrans-64.5-42178.700000111.7W454 A455 T461 Q462W454-A458 VanDerWaalsContact O-CB 3.3Å; W454-A458 WeakPolarHBondContact O-CB 3.35Å; W454-A458 PolarHBondContact O-N 3.27Å; A455-A458 PolarHBondContact O-N 3.02Å; A458-T461 PolarHBondContact O-N 3.44Å; A458-Q462 WeakPolarHBondContact O-CB 3.39Å; A458-Q462 PolarHBondContact O-N 3.35Å
459E87.3Confident84.4Confident107 Ų107110.1 Ų110.150%0.554%0.543SS..Hα-helixtrans-62-44.3175.5-173.4175.8-169.500111.5A455 T461 Q462 Q463A455-E459 WeakPolarHBondContact O-CB 3.29Å; A455-E459 PolarHBondContact O-N 3.21Å; E459-T461 VanDerWaalsContact C-N 3.35Å; E459-T461 PolarHBondContact O-N 3.38Å; E459-Q462 PolarHBondContact O-N 3.48Å; E459-Q463 WeakPolarHBondContact O-CG 3.15Å; E459-Q463 PolarHBondContact O-N 2.96Å
460K90.1Very high85.7Confident143 Ų143108.8 Ų108.862%0.62253%0.528SS*.Hα-helixtrans-59.8-44174.1-174.4177.8-178175.60112K456 R457 Q462 Q463 L464K456-K460 PolarHBondContact O-N 3.44Å; K456-K460 VanDerWaalsContact O-N 3.12Å; R457-K460 PolarHBondContact O-N 3.09Å; K460-Q462 VanDerWaalsContact C-N 3.35Å; K460-Q463 PolarHBondContact O-N 3.3Å; K460-L464 WeakPolarHBondContact O-CG 3.47Å; K460-L464 PolarHBondContact O-N 2.93Å; K460-L464 VanDerWaalsContact O-N 3.11Å
461T87.6Confident86.6Confident63 Ų63105.8 Ų105.839%0.38752%0.517SS..Hα-helixtrans-65.5-39.3176.4-57.80000111.3R457 A458 E459 L464 W465R457-T461 PolarHBondContact O-N 3.04Å; R457-T461 PolarHBondContact O-OG1 2.99Å; R457-T461 VanDerWaalsContact O-OG1 3.11Å; A458-T461 PolarHBondContact O-N 3.44Å; E459-T461 VanDerWaalsContact C-N 3.35Å; E459-T461 PolarHBondContact O-N 3.38Å; T461-L464 WeakPolarHBondContact O-CB 3.31Å; T461-L464 PolarHBondContact O-N 3.47Å; T461-W465 PolarHBondContact O-N 2.98Å
462Q90.2Very high87Confident106 Ų106110 Ų11050%0.49553%0.526SS..Hα-helixtrans-65.3-39.6176.9-170.7177.814.600112.1A458 E459 K460 W465 R466A458-Q462 WeakPolarHBondContact O-CB 3.39Å; A458-Q462 PolarHBondContact O-N 3.35Å; E459-Q462 PolarHBondContact O-N 3.48Å; K460-Q462 VanDerWaalsContact C-N 3.35Å; Q462-W465 PolarHBondContact O-N 3.34Å; Q462-R466 WeakPolarHBondContact O-CG 3.46Å; Q462-R466 PolarHBondContact O-N 2.94Å
463Q91.7Very high87.3Confident113 Ų113111.2 Ų111.253%0.52853%0.528SS..Hα-helixtrans-62.5-42.5173.8-73.2177.4300111.7E459 K460 W465 R466 H467E459-Q463 WeakPolarHBondContact O-CG 3.15Å; E459-Q463 PolarHBondContact O-N 2.96Å; K460-Q463 PolarHBondContact O-N 3.3Å; Q463-W465 VanDerWaalsContact C-N 3.34Å; Q463-W465 PolarHBondContact O-N 3.42Å; Q463-R466 PolarHBondContact O-N 2.85Å; Q463-H467 WeakPolarHBondContact O-CB 3.44Å; Q463-H467 PolarHBondContact O-N 3.43Å
464L89.6Confident87.6Confident109 Ų109112 Ų11257%0.57152%0.52SS*.Hα-helixtrans-60.7-43.4174.2-73.2168.3000111.7K460 T461 H467 E468K460-L464 WeakPolarHBondContact O-CG 3.47Å; K460-L464 PolarHBondContact O-N 2.93Å; K460-L464 VanDerWaalsContact O-N 3.11Å; T461-L464 WeakPolarHBondContact O-CB 3.31Å; T461-L464 PolarHBondContact O-N 3.47Å; L464-H467 PolarHBondContact O-N 3.3Å; L464-E468 WeakPolarHBondContact O-CB 3.47Å; L464-E468 PolarHBondContact O-N 3Å
465W86.2Confident87.7Confident194 Ų194111.4 Ų111.474%0.73552%0.518SS*.Hα-helixtrans-68.6-37.1179.4-76.542.9000112.3T461 Q462 Q463 E468 A469T461-W465 PolarHBondContact O-N 2.98Å; Q462-W465 PolarHBondContact O-N 3.34Å; Q463-W465 VanDerWaalsContact C-N 3.34Å; Q463-W465 PolarHBondContact O-N 3.42Å; W465-E468 PolarHBondContact O-N 2.9Å; W465-A469 VanDerWaalsContact O-CB 3.24Å; W465-A469 WeakPolarHBondContact O-CB 3.42Å; W465-A469 PolarHBondContact O-N 3.3Å
466R89.7Confident87.5Confident152 Ų152113.1 Ų113.157%0.57452%0.522SS*.Hα-helixtrans-61.8-49.2172.9-79.2-177.8177.9169.60.9111.2Q462 Q463 E468 A469 E470Q462-R466 WeakPolarHBondContact O-CG 3.46Å; Q462-R466 PolarHBondContact O-N 2.94Å; Q463-R466 PolarHBondContact O-N 2.85Å; R466-E468 VanDerWaalsContact C-N 3.32Å; R466-E468 PolarHBondContact O-N 2.93Å; R466-A469 PolarHBondContact O-N 2.8Å; R466-E470 WeakPolarHBondContact O-CB 3.36Å; R466-E470 WeakPolarHBondContact O-CG 3.05Å; R466-E470 PolarHBondContact O-N 2.76Å
467H90.2Very high87.5Confident133 Ų133113.7 Ų113.762%0.61653%0.527SS*.Hα-helixtrans-62.4-39.5178.2-172.8-83.5000112Q463 L464 A471Q463-H467 WeakPolarHBondContact O-CB 3.44Å; Q463-H467 PolarHBondContact O-N 3.43Å; L464-H467 PolarHBondContact O-N 3.3Å; H467-A471 WeakPolarHBondContact O-CB 3.34Å; H467-A471 PolarHBondContact O-N 2.84Å
468E87.4Confident87.4Confident114 Ų114110.4 Ų110.453%0.53352%0.519SS..Hα-helixtrans-68-40.9176.2-169.369.2-159.200112L464 W465 R466 A471 W472L464-E468 WeakPolarHBondContact O-CB 3.47Å; L464-E468 PolarHBondContact O-N 3Å; W465-E468 PolarHBondContact O-N 2.9Å; R466-E468 VanDerWaalsContact C-N 3.32Å; R466-E468 PolarHBondContact O-N 2.93Å; E468-A471 PolarHBondContact O-N 3.27Å; E468-W472 WeakPolarHBondContact O-CB 3.41Å; E468-W472 PolarHBondContact O-N 3.43Å
469A85.7Confident87Confident51 Ų51112.9 Ų112.942%0.42152%0.523SS..Hα-helixtrans-64.9-39.7176.200000111.9W465 R466 W472 N473W465-A469 VanDerWaalsContact O-CB 3.24Å; W465-A469 WeakPolarHBondContact O-CB 3.42Å; W465-A469 PolarHBondContact O-N 3.3Å; R466-A469 PolarHBondContact O-N 2.8Å; A469-W472 PolarHBondContact O-N 3.03Å; A469-N473 WeakPolarHBondContact O-CB 3.44Å; A469-N473 PolarHBondContact O-N 3.03Å
470E90.5Very high86Confident112 Ų112114.3 Ų114.352%0.52353%0.529SS..Hα-helixtrans-64.2-45.4173.4-75.1171.9-165.300111.7R466 W472 N473 Q474R466-E470 WeakPolarHBondContact O-CB 3.36Å; R466-E470 WeakPolarHBondContact O-CG 3.05Å; R466-E470 PolarHBondContact O-N 2.76Å; E470-W472 VanDerWaalsContact C-N 3.32Å; E470-W472 PolarHBondContact O-N 2.74Å; E470-N473 PolarHBondContact O-N 3.19Å; E470-Q474 WeakPolarHBondContact O-CG 3.5Å; E470-Q474 PolarHBondContact O-N 2.76Å
471A88.2Confident84.7Confident41 Ų41114.5 Ų114.534%0.33953%0.533SS..Hα-helixtrans-61.9-39.2175.800000112.3H467 E468 Q474 R475H467-A471 WeakPolarHBondContact O-CB 3.34Å; H467-A471 PolarHBondContact O-N 2.84Å; E468-A471 PolarHBondContact O-N 3.27Å; A471-Q474 PolarHBondContact O-N 2.7Å; A471-R475 PolarHBondContact O-N 2.97Å
472W85.9Confident83.3Confident151 Ų151119.1 Ų119.157%0.57255%0.55SS*.Hα-helixtrans-65-44.4175.5-173.290000111.8E468 A469 E470 Q474 R475 Q476E468-W472 WeakPolarHBondContact O-CB 3.41Å; E468-W472 PolarHBondContact O-N 3.43Å; A469-W472 PolarHBondContact O-N 3.03Å; E470-W472 VanDerWaalsContact C-N 3.32Å; E470-W472 PolarHBondContact O-N 2.74Å; W472-Q474 PolarHBondContact O-N 3.37Å; W472-R475 PolarHBondContact O-N 2.94Å; W472-Q476 HydrophobicContact CD2-CG 4.06Å; W472-Q476 HydrophobicContact CE3-CG 3.9Å; W472-Q476 HydrophobicContact CH2-CG 3.69Å; W472-Q476 HydrophobicContact CZ2-CG 3.84Å; W472-Q476 HydrophobicContact CZ3-CG 3.72Å; W472-Q476 WeakPolarHBondContact O-CG 3.16Å; W472-Q476 PolarHBondContact O-N 3.11Å
473N87.6Confident81.7Confident88 Ų88119.6 Ų119.647%0.47156%0.56SS.*Hα-helixtrans-61.8-41.2175.3-85.4-28.3000112.5A469 E470 R475 Q476 Q477A469-N473 WeakPolarHBondContact O-CB 3.44Å; A469-N473 PolarHBondContact O-N 3.03Å; E470-N473 PolarHBondContact O-N 3.19Å; N473-R475 VanDerWaalsContact C-N 3.34Å; N473-R475 PolarHBondContact O-N 2.89Å; N473-Q476 PolarHBondContact O-N 3.45Å; N473-Q477 WeakPolarHBondContact O-CG 3.25Å; N473-Q477 PolarHBondContact O-N 3.44Å
474Q86.9Confident79.9Confident121 Ų121121.1 Ų121.157%0.56557%0.571SS**Hα-helixtrans-62.5-41.3174.4-73.3-176.728.900111.9E470 A471 W472 Q476 Q477 Q478E470-Q474 WeakPolarHBondContact O-CG 3.5Å; E470-Q474 PolarHBondContact O-N 2.76Å; A471-Q474 PolarHBondContact O-N 2.7Å; W472-Q474 PolarHBondContact O-N 3.37Å; Q474-Q476 VanDerWaalsContact C-N 3.32Å; Q474-Q476 PolarHBondContact O-N 3.07Å; Q474-Q477 PolarHBondContact O-N 3.2Å; Q474-Q478 WeakPolarHBondContact O-CG 3.37Å; Q474-Q478 PolarHBondContact O-N 3.1Å
475R86.9Confident78Confident168 Ų168119.6 Ų119.663%0.63457%0.574SS**Hα-helixtrans-63.2-38.5176.2-171.9-179.2-81.5-163.1-5.5111.7A471 W472 N473 Q478 Q479A471-R475 PolarHBondContact O-N 2.97Å; W472-R475 PolarHBondContact O-N 2.94Å; N473-R475 VanDerWaalsContact C-N 3.34Å; N473-R475 PolarHBondContact O-N 2.89Å; R475-Q478 PolarHBondContact O-N 3.02Å; R475-Q479 WeakPolarHBondContact O-CG 3.36Å; R475-Q479 PolarHBondContact O-N 2.83Å
476Q82.3Confident76.2Confident59 Ų59116 Ų11628%0.27658%0.576SS.*Hα-helixtrans-64.3-41.1174.2-71.2-61.6-4300112.3W472 N473 Q474 Q478 Q479 Q480W472-Q476 HydrophobicContact CD2-CG 4.06Å; W472-Q476 HydrophobicContact CE3-CG 3.9Å; W472-Q476 HydrophobicContact CH2-CG 3.69Å; W472-Q476 HydrophobicContact CZ2-CG 3.84Å; W472-Q476 HydrophobicContact CZ3-CG 3.72Å; W472-Q476 WeakPolarHBondContact O-CG 3.16Å; W472-Q476 PolarHBondContact O-N 3.11Å; N473-Q476 PolarHBondContact O-N 3.45Å; Q474-Q476 VanDerWaalsContact C-N 3.32Å; Q474-Q476 PolarHBondContact O-N 3.07Å; Q476-Q478 PolarHBondContact O-N 3.11Å; Q476-Q479 PolarHBondContact O-N 3.24Å; Q476-Q480 PolarHBondContact O-N 2.97Å
477Q83.4Confident73.9Confident121 Ų121114.8 Ų114.857%0.56559%0.591SS**Hα-helixtrans-64.7-38.3175.7-70.3-176.921.900112.4N473 Q474 Q480 Q481N473-Q477 WeakPolarHBondContact O-CG 3.25Å; N473-Q477 PolarHBondContact O-N 3.44Å; Q474-Q477 PolarHBondContact O-N 3.2Å; Q477-Q480 PolarHBondContact O-N 3.44Å; Q477-Q481 PolarHBondContact O-N 3.26Å; Q477-Q481 VanDerWaalsContact O-N 3.12Å
478Q81.6Confident72Confident123 Ų123113.2 Ų113.258%0.57560%0.595SS**Hα-helixtrans-65.9-38.4174.8-70.9-179.524.900112.3Q474 R475 Q476 Q481 Q482Q474-Q478 WeakPolarHBondContact O-CG 3.37Å; Q474-Q478 PolarHBondContact O-N 3.1Å; R475-Q478 PolarHBondContact O-N 3.02Å; Q476-Q478 PolarHBondContact O-N 3.11Å; Q478-Q481 PolarHBondContact O-N 2.71Å; Q478-Q482 PolarHBondContact O-N 3.36Å
479Q77.1Confident70.1Confident102 Ų102116.3 Ų116.348%0.47761%0.609SS.*Hα-helixtrans-64.3-41.2174.9-73.8-176.12700111.5R475 Q476 Q481 Q482 V483R475-Q479 WeakPolarHBondContact O-CG 3.36Å; R475-Q479 PolarHBondContact O-N 2.83Å; Q476-Q479 PolarHBondContact O-N 3.24Å; Q479-Q481 VanDerWaalsContact C-N 3.31Å; Q479-Q481 PolarHBondContact O-N 3.02Å; Q479-Q482 PolarHBondContact O-N 3.19Å; Q479-V483 WeakPolarHBondContact O-CG2 3.35Å; Q479-V483 PolarHBondContact O-N 3.08Å
480Q67.2Low67.7Low136 Ų136120.1 Ų120.164%0.63663%0.627SS**Hα-helixtrans-65.3-31.1176.8-71.5-178.636.100113.2Q476 Q477Q476-Q480 PolarHBondContact O-N 2.97Å; Q477-Q480 PolarHBondContact O-N 3.44Å
481Q62.2Low65.6Low148 Ų148126.3 Ų126.369%0.69265%0.646SS**Hα-helixtrans-74-26.5175.1-72.4-179.734.200113.3Q477 Q478 Q479Q477-Q481 PolarHBondContact O-N 3.26Å; Q477-Q481 VanDerWaalsContact O-N 3.12Å; Q478-Q481 PolarHBondContact O-N 2.71Å; Q479-Q481 VanDerWaalsContact C-N 3.31Å; Q479-Q481 PolarHBondContact O-N 3.02Å
482Q58.8Low64Low160 Ų160129.8 Ų129.875%0.74867%0.665SS**Hα-helixtrans-77.7-22.2176.8-73-172.51.700113.6Q478 Q479 N484Q478-Q482 PolarHBondContact O-N 3.36Å; Q479-Q482 PolarHBondContact O-N 3.19Å; Q482-N484 VanDerWaalsContact C-N 3.33Å
483V57.1Low62.8Low116 Ų116128.2 Ų128.270%0.70367%0.674SS**THydrogen-bonded Turntrans-82.5-8.2-179.5-133.10000114Q479Q479-V483 WeakPolarHBondContact O-CG2 3.35Å; Q479-V483 PolarHBondContact O-N 3.08Å
484N53.7Low61.8Low145 Ų145129.6 Ų129.678%0.77569%0.688SS**THydrogen-bonded Turntrans-109.414.5179.6-86.40.9000114Q482 P486Q482-N484 VanDerWaalsContact C-N 3.33Å; N484-P486 VanDerWaalsContact O-CD 3.28Å; N484-P486 WeakPolarHBondContact O-CD 3.44Å
485A48.4Very low60.5Low76 Ų76129.4 Ų129.463%0.62870%0.697SS**  trans-80.9114.9172.100000110.3S487A485-S487 PolarHBondContact O-N 3.19Å
486P48.8Very low59.3Low118 Ų118127.2 Ų127.277%0.76671%0.705SS**  trans-64.2124.6175.924.7-31.2000110N484 S488N484-P486 VanDerWaalsContact O-CD 3.28Å; N484-P486 WeakPolarHBondContact O-CD 3.44Å; P486-S488 PolarHBondContact O-N 3.25Å
487S41.9Very low58Low128 Ų128130.5 Ų130.590%0.89573%0.731SS**  trans-65.295.7176.461.60000110.6A485A485-S487 PolarHBondContact O-N 3.19Å
488S49.6Very low56Low99 Ų99130.1 Ų130.169%0.69274%0.742SS**  trans-110.8108.7166.951.90000110.4P486P486-S488 PolarHBondContact O-N 3.25Å
489Q48.2Very low54.1Low180 Ų180129.6 Ų129.684%0.84175%0.752SS**  trans64.6100.6140.2-68.3177.7-3.400119.3
490T35.9Very low52.4Low131 Ų131130.3 Ų130.380%0.80476%0.763SS**  37.5108123.944.90000119.1
491R46Very low50.9Low242 Ų242134.4 Ų134.491%0.91377%0.774SS**  trans-157.6131.8133.9-146.8169.1-178.4-136-0.3111.9
492P54.5Low49.8Very low113 Ų113135.5 Ų135.573%0.73478%0.784SS**PPolyproline II helixtrans-74.5148.9176.830.4-32.6000111.3
493P61.2Low48.6Very low119 Ų119132.7 Ų132.777%0.77378%0.781SS**PPolyproline II helixtrans-75.1144.6-179.730.5-33.3000111.6
494P67.1Low47.6Very low116 Ų116132.8 Ų132.875%0.75378%0.782SS**PPolyproline II helixtrans-74.3151.2174.530.9-32.9000111.6
495P58.9Low46.9Very low117 Ų117130.4 Ų130.476%0.7678%0.777SS**PPolyproline II helixtrans-75.1152-178.631-34.1000112.4
496P61.4Low46.6Very low122 Ų122137.3 Ų137.379%0.79279%0.787SS**PPolyproline II helixtrans-75.4139.5-177.930.3-33.6000112
497P55.9Low46.1Very low128 Ų128138 Ų13883%0.83178%0.783SS**PPolyproline II helixtrans-74.7134.9173.328.9-31.9000112
498S41.4Very low45.9Very low114 Ų114136.6 Ų136.680%0.79777%0.773SS**PPolyproline II helixtrans-76.3156.617443.90000113.5
499S40.1Very low45.3Very low111 Ų111137.3 Ų137.378%0.77678%0.778SS**  trans83.5136.5164-138.30000114.3
500T42.6Very low44.7Very low118 Ų118133.6 Ų133.672%0.72478%0.778SS**  cis-160.8146.228.3-510000108.6
501Y35.3Very low44.7Very low221 Ų221134.8 Ų134.887%0.86778%0.779SS**  trans-53.7138.2166.4-72.4-110.8000111.6
502I39.9Very low44.2Very low172 Ų172128.9 Ų128.988%0.88277%0.77SS**  trans-154.9134.2136.1-90.9137.9000108.3
503S32Very low43.5Very low100 Ų100131.8 Ų131.870%0.69977%0.774SS**  trans-85.8158.3-168.5-159.90000112.2
504T35.9Very low42.1Very low118 Ų118136.2 Ų136.272%0.72478%0.777SS**  trans89.5124.1147-0.20000120.6
505S39.1Very low40.6Very low96 Ų96136.1 Ų136.167%0.67178%0.779SS**  trans85.4105.5139.342.20000120.9
506R42.4Very low39.4Very low220 Ų220139.1 Ų139.183%0.8378%0.783SS**  85.8111.9120.2-71.7-173.4-168-138.15.2119.3
507I39.6Very low38.3Very low134 Ų134139.4 Ų139.469%0.68779%0.785SS**  82.4124.4122.2-59.8166.9000117.7
508S37.6Very low37.4Very low98 Ų98138.8 Ų138.869%0.68578%0.779SS**  trans86.299.8152.6-69.30000120.5
509S36.6Very low37.3Very low113 Ų113140.5 Ų140.579%0.7978%0.784SS**  77.6116.1118.2-53.30000121
510A36Very low37.3Very low102 Ų102139.5 Ų139.584%0.84377%0.773SS**  trans65.993.1138.800000118.3
511N35.6Very low37.3Very low156 Ų156141.6 Ų141.683%0.83478%0.781SS**  -157.1140.9125.4-149-7.3000113.3
512T35.2Very low37.3Very low118 Ų118138.7 Ų138.772%0.72478%0.775SS**  trans-49.9131.8172.4-27.20000113.5
513Q39Very low37.7Very low174 Ų174138 Ų13881%0.81376%0.761SS**  171126.2128.1-96.1179.5-35.800112
514Y32.4Very low38.3Very low212 Ų212136 Ų13683%0.83175%0.745SS**  trans34111.1150.3-75-93.5000119.4
515S34.8Very low38.7Very low115 Ų115135.1 Ų135.180%0.80474%0.742SS**  -177.6120.5123.6-81.50000113
516Q34.2Very low38.9Very low180 Ų180138.2 Ų138.284%0.84174%0.739SS**  trans65.3120.2154.6-51.8-152.22.800120.8
517P38.5Very low38.9Very low128 Ų128135 Ų13583%0.83173%0.727SS**  trans-85.2110.5158.532-24.8000109.6V519P517-V519 PolarHBondContact O-N 3.36Å
518T38.2Very low38.9Very low114 Ų114134.6 Ų134.670%0.69972%0.722SS**  trans-45.2129.5155.8-55.60000109.4T520T518-T520 PolarHBondContact O-N 2.91Å; T518-T520 PolarHBondContact O-OG1 3.07Å
519V38.1Very low38.7Very low150 Ų150138.1 Ų138.191%0.90973%0.725SS**  trans-69.577.5170-179.40000107.6P517P517-V519 PolarHBondContact O-N 3.36Å
520T40.8Very low38.6Very low90 Ų90139.2 Ų139.255%0.55273%0.727SS**  trans-93.8119.2167.9-19.90000106T518 Q522T518-T520 PolarHBondContact O-N 2.91Å; T518-T520 PolarHBondContact O-OG1 3.07Å; T520-Q522 PolarHBondContact O-N 2.84Å
521D41.2Very low38.5Very low163 Ų163140 Ų14087%0.87272%0.722SS**  trans-63.372.1172.8-156.74.7000109R523D521-R523 PolarHBondContact O-N 3.02Å
522Q36Very low38.3Very low159 Ų159136.9 Ų136.974%0.74371%0.71SS**  trans-79.690.9-178-79.6-138.33.200108.3T520T520-Q522 PolarHBondContact O-N 2.84Å
523R48.7Very low37.9Very low158 Ų158140.6 Ų140.660%0.59672%0.718SS**  trans-49.3132.8161.5-127.8-179.5-172.4-163.65.6109.1D521D521-R523 PolarHBondContact O-N 3.02Å
524P44Very low37.6Very low57 Ų57139.9 Ų139.937%0.3772%0.715SS.*  trans-53138.3178.7-26.633000112.3W526 R527P524-W526 HydrophobicContact CB-CG 4.46Å; P524-W526 VanDerWaalsContact CB-NE1 3.27Å; P524-W526 PolarHBondContact O-N 3.07Å; P524-R527 PolarHBondContact O-N 2.92Å
525P45.2Very low37.4Very low100 Ų100134.6 Ų134.665%0.64971%0.709SS**THydrogen-bonded Turntrans-66-1.9-169.923.5-33.3000115.6
526W42.7Very low37.2Very low162 Ų162137 Ų13761%0.61471%0.711SS**THydrogen-bonded Turntrans-89.6-10.2170.258.2-90.5000113.5P524P524-W526 HydrophobicContact CB-CG 4.46Å; P524-W526 VanDerWaalsContact CB-NE1 3.27Å; P524-W526 PolarHBondContact O-N 3.07Å
527R42.5Very low37.1Very low151 Ų151134 Ų13457%0.5771%0.705SS**SBendtrans-98.55.6171.7-67.2-158.1179.1-91.15.8114P524P524-R527 PolarHBondContact O-N 2.92Å
528Q39.4Very low36.6Very low127 Ų127136.8 Ų136.859%0.59371%0.707SS**SBendtrans-118.8-0.4178.5-72-176.8-10.500113.9T530Q528-T530 PolarHBondContact O-N 3.32Å; Q528-T530 VanDerWaalsContact O-N 3.14Å
529K33.5Very low36.2Very low171 Ų171134.2 Ų134.274%0.74370%0.703SS**  trans-83.589.9170.1-74.6-171.4175.9-174.40109.5V531K529-V531 PolarHBondContact O-N 2.76Å
530T34.6Very low35.6Very low137 Ų137135.3 Ų135.384%0.8470%0.7SS**  trans-55.899.1149.6-27.20000105.5Q528 P532Q528-T530 PolarHBondContact O-N 3.32Å; Q528-T530 VanDerWaalsContact O-N 3.14Å; T530-P532 WeakPolarHBondContact O-CD 3.49Å
531V33.8Very low35Very low119 Ų119141.4 Ų141.472%0.72172%0.715SS**  trans-60.1121.6173.4-179.40000105.6K529 H533K529-V531 PolarHBondContact O-N 2.76Å; V531-H533 PolarHBondContact O-N 3.4Å
532P31.1Very low34.3Very low90 Ų90138.5 Ų138.558%0.58471%0.714SS**  trans-58.5137.1174.325.9-31.5000107.5T530 E534T530-P532 WeakPolarHBondContact O-CD 3.49Å; P532-E534 PolarHBondContact O-N 2.72Å
533H27.9Very low34.1Very low196 Ų196138.9 Ų138.991%0.90772%0.72SS**  trans-63.977.5-179.8-144-76.6000108.5V531 S535V531-H533 PolarHBondContact O-N 3.4Å; H533-S535 PolarHBondContact O-N 2.89Å; H533-S535 VanDerWaalsContact O-N 3.09Å
534E31.7Very low33.2Very low158 Ų158140.6 Ų140.674%0.73873%0.732SS**  trans-69.7108.8174.9-77.5-176-177.800107.7P532 I536P532-E534 PolarHBondContact O-N 2.72Å; E534-I536 PolarHBondContact O-N 3.41Å
535S28.3Very low32.6Very low101 Ų101145.5 Ų145.571%0.70675%0.754SS**  trans-48.7101164.449.20000109.7H533 T537H533-S535 PolarHBondContact O-N 2.89Å; H533-S535 VanDerWaalsContact O-N 3.09Å; S535-T537 VanDerWaalsContact C-N 3.26Å; S535-T537 PolarHBondContact O-N 3.06Å
536I31.3Very low31.8Very low167 Ų167144.6 Ų144.686%0.85676%0.764SS**  trans-76.391.4166.1-62.1176.1000106.8E534E534-I536 PolarHBondContact O-N 3.41Å
537T30.8Very low31.3Very low115 Ų115145.4 Ų145.471%0.70677%0.774SS**  trans-47.9132.4165.3-48.30000110S535 G539S535-T537 VanDerWaalsContact C-N 3.26Å; S535-T537 PolarHBondContact O-N 3.06Å; T537-G539 PolarHBondContact O-N 3.1Å
538Q27.7Very low30.9Very low188 Ų188147.5 Ų147.588%0.87979%0.791SS**  trans-49.299.7170.2-85.7173.7-22.700110.7M540Q538-M540 PolarHBondContact O-N 3.12Å
539G29.9Very low30.5Very low59 Ų59147.9 Ų147.961%0.60880%0.802SS**  trans-85.298.6163.700000109T537 Y541T537-G539 PolarHBondContact O-N 3.1Å; G539-Y541 PolarHBondContact O-N 3.02Å
540M25.6Very low30.8Very low173 Ų173144.5 Ų144.585%0.85280%0.796SS**  trans-63.6117.8168.8-69.5-148.87900109.8Q538Q538-M540 PolarHBondContact O-N 3.12Å
541Y28.6Very low30.5Very low218 Ų218143.2 Ų143.286%0.85580%0.798SS**  trans-133113160.7-66.6-77.6000108.7G539G539-Y541 PolarHBondContact O-N 3.02Å
542A26.7Very low30.7Very low103 Ų103141.2 Ų141.285%0.85179%0.787SS**  trans-78.9117.5172.300000108.8
543L32.5Very low31Very low167 Ų167141.5 Ų141.587%0.87479%0.79SS**  trans-129.7132.4163.1-116.885.6000109.4
544K30.2Very low31.4Very low194 Ų194140.8 Ų140.884%0.84379%0.793SS**SBendtrans-52.9146.2178.6-73.1167.2169.71770111
545D31.2Very low32.1Very low159 Ų159135 Ų13585%0.8578%0.775SS**SBendtrans78.867.7170.2-49.1-31.2000117.1Q547D545-Q547 PolarHBondContact O-N 2.97Å; D545-Q547 VanDerWaalsContact O-N 3.11Å
546G28.1Very low33.2Very low82 Ų82132.7 Ų132.785%0.84576%0.757SS**  68.919.4118.800000122
547Q32.9Very low34.3Very low179 Ų179127.2 Ų127.284%0.83674%0.737SS**  trans-134.1114.3164.2-80.3-159.9-32.100113.1D545 T549D545-Q547 PolarHBondContact O-N 2.97Å; D545-Q547 VanDerWaalsContact O-N 3.11Å; Q547-T549 PolarHBondContact O-N 3Å
548Q32.8Very low35.9Very low195 Ų195125.3 Ų125.391%0.91172%0.719SS**  trans-77.3113.7168.7-84.7-175.24.100109.8
549T32.4Very low37.8Very low134 Ų134119.3 Ų119.382%0.82270%0.698SS**  trans-104.4106.2168.5-26.80000107.7Q547Q547-T549 PolarHBondContact O-N 3Å
550T38.3Very low39.7Very low101 Ų101119.8 Ų119.862%0.6269%0.688SS**  trans-89.5121.5172.38.70000109.3V552T550-V552 PolarHBondContact O-N 3.18Å
551A29Very low41.9Very low109 Ų109114 Ų11490%0.90167%0.665SS**  trans-67.4125.5177.400000110.8
552V38.6Very low44.4Very low78 Ų78108.7 Ų108.747%0.47366%0.656SS.*  trans-116.8138.9175.2-173.90000109.6T550 T556T550-V552 PolarHBondContact O-N 3.18Å; V552-T556 HydrophobicContact CG1-CG2 4.39Å
553S35.9Very low47.1Very low95 Ų95105.1 Ų105.166%0.66463%0.629SS**  trans-48.5154.9-171.5-155.20000116.7G555 T556S553-G555 PolarHBondContact O-N 2.94Å; S553-G555 VanDerWaalsContact O-N 3.16Å; S553-T556 PolarHBondContact O-N 3.5Å
554L37.7Very low49.4Very low182 Ų182100.2 Ų100.295%0.95361%0.608SS**THydrogen-bonded Turntrans-43.7116.2179.6-84.5113.9000111.8
555G46.4Very low52Low36 Ų3695.1 Ų95.137%0.37159%0.586SS.*THydrogen-bonded Turntrans109.3-1176.500000114.9S553 S582 V583S553-G555 PolarHBondContact O-N 2.94Å; S553-G555 VanDerWaalsContact O-N 3.16Å; G555-S582 CarbonylContact O-C 3.48Å; G555-S582 VanDerWaalsContact O-CA 3.25Å; G555-S582 WeakPolarHBondContact O-CA 3.37Å; G555-V583 PolarHBondContact O-N 3.29Å
556T51.5Low54.3Low52 Ų5295.6 Ų95.632%0.31958%0.577SS.*EExtended strand (participates in β ladder)trans-117.2117.2177.4-33.30000110.7V552 S553 S581V552-T556 HydrophobicContact CG1-CG2 4.39Å; S553-T556 PolarHBondContact O-N 3.5Å; T556-S581 CarbonylContact C-O 3.59Å; T556-S581 WeakPolarHBondContact CA-O 3.47Å
557A54.4Low57.1Low53 Ų5393.5 Ų93.544%0.43855%0.547SS..EExtended strand (participates in β ladder)trans-90.5123.8167.700000109.1Y580 S581A557-Y580 WeakPolarHBondContact O-CA 3.33Å; A557-S581 WeakPolarHBondContact CB-OG 3.42Å; A557-S581 PolarHBondContact N-O 2.88Å; A557-S581 PolarHBondContact O-N 3.41Å; A557-S581 PolarHBondContact O-OG 3.19Å
558K64.7Low59.4Low74 Ų7494.1 Ų94.132%0.32255%0.55SS..EExtended strand (participates in β ladder)trans-102.1125.5169.3-172.9-178.1179.9-177.50107.9V560 E578 L579 Y580K558-V560 HydrophobicContact CD-CG2 4.35Å; K558-V560 HydrophobicContact CG-CG2 4.3Å; K558-E578 WeakPolarHBondContact CE-OE1 3.35Å; K558-E578 IonicContact NZ-OE1 3.71Å; K558-E578 PolarHBondContact NZ-OE1 2.76Å; K558-E578 IonicContact NZ-OE2 3.96Å; K558-L579 CarbonylContact C-O 3.56Å; K558-L579 VanDerWaalsContact CA-O 3.27Å; K558-L579 WeakPolarHBondContact CA-O 3.49Å; K558-Y580 HydrophobicContact CB-CD1 4.41Å; K558-Y580 HydrophobicContact CB-CE1 4.36Å; K558-Y580 HydrophobicContact CD-CE1 3.83Å; K558-Y580 VanDerWaalsContact CE-OH 3.29Å; K558-Y580 WeakPolarHBondContact CE-OH 3.45Å; K558-Y580 HydrophobicContact CG-CD1 4.25Å; K558-Y580 HydrophobicContact CG-CE1 3.89Å; K558-Y580 PolarHBondContact NZ-OH 3.44Å
559S66.2Low61.9Low63 Ų6392 Ų9244%0.44154%0.54SS..EExtended strand (participates in β ladder)trans-119126.4170.5167.30000108.6E578 L579S559-E578 CarbonylContact O-C 3.51Å; S559-L579 PolarHBondContact N-O 3.36Å; S559-L579 WeakPolarHBondContact O-CB 3.46Å; S559-L579 PolarHBondContact O-N 2.97Å
560V70.2Confident64.3Low68 Ų6888.1 Ų88.141%0.41253%0.526SS..EExtended strand (participates in β ladder)trans-110.1127.8177-175.90000107.9K558 E576 K577 E578K558-V560 HydrophobicContact CD-CG2 4.35Å; K558-V560 HydrophobicContact CG-CG2 4.3Å; V560-E576 HydrophobicContact CG1-CG 3.94Å; V560-K577 CarbonylContact C-O 3.44Å; V560-K577 WeakPolarHBondContact CA-O 3.28Å; V560-E578 HydrophobicContact CG1-CG 4.49Å; V560-E578 HydrophobicContact CG2-CG 4.22Å
561S72.1Confident66.1Low53 Ų5385.7 Ų85.737%0.37151%0.509SS..EExtended strand (participates in β ladder)trans-123.8124.4176.4171.10000108.6K577S561-K577 PolarHBondContact N-O 3.29Å; S561-K577 WeakPolarHBondContact O-CA 3.46Å; S561-K577 WeakPolarHBondContact O-CB 3.3Å; S561-K577 PolarHBondContact O-N 3.39Å
562T81.2Confident68.4Low106 Ų10685.6 Ų85.665%0.6549%0.488SS*.EExtended strand (participates in β ladder)trans-107.8153.5174.2540000110.4F575 E576T562-F575 WeakPolarHBondContact CA-O 3.41Å; T562-E576 HydrophobicContact CG2-CB 4.29Å; T562-E576 HydrophobicContact CG2-CG 4.05Å
563G82.2Confident70Confident28 Ų2881.9 Ų81.929%0.28947%0.466SS..EExtended strand (participates in β ladder)trans-167.7-178.2174.900000112F575G563-F575 PolarHBondContact N-O 2.7Å; G563-F575 VanDerWaalsContact O-CD1 3.3Å; G563-F575 WeakPolarHBondContact O-CD1 3.39Å; G563-F575 PolarHBondContact O-N 3.41Å
564S81.4Confident72Confident63 Ų6380.3 Ų80.344%0.44145%0.45SS..EExtended strand (participates in β ladder)trans-141.9147174.4590000110.9K572 V573 D574S564-K572 VanDerWaalsContact CB-CE 3.46Å; S564-K572 VanDerWaalsContact OG-CE 3.27Å; S564-K572 WeakPolarHBondContact OG-CE 3.03Å; S564-V573 CarbonylContact C-O 3.53Å; S564-V573 WeakPolarHBondContact CA-O 3.34Å; S564-D574 WeakPolarHBondContact CB-OD1 3.41Å
565F84.3Confident73.8Confident87 Ų8774.4 Ų74.438%0.38242%0.417SS..EExtended strand (participates in β ladder)trans-138.6167.6174.267.3-88.3000110.1V573 F575F565-V573 HydrophobicContact CD1-CB 4.37Å; F565-V573 HydrophobicContact CD2-CB 4.4Å; F565-V573 HydrophobicContact CE1-CB 3.98Å; F565-V573 HydrophobicContact CE1-CG1 3.85Å; F565-V573 HydrophobicContact CE2-CB 4Å; F565-V573 HydrophobicContact CE2-CG1 4.4Å; F565-V573 HydrophobicContact CE2-CG2 4.2Å; F565-V573 HydrophobicContact CZ-CB 3.78Å; F565-V573 HydrophobicContact CZ-CG1 3.7Å; F565-V573 HydrophobicContact CZ-CG2 4.31Å; F565-V573 PolarHBondContact N-O 3.5Å; F565-V573 PolarHBondContact O-N 3.16Å; F565-F575 AromaticContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CE1 4.34Å; F565-F575 HydrophobicContact CE1-CB 4.47Å; F565-F575 HydrophobicContact CE1-CD1 4.22Å
566Y81.2Confident75.1Confident169 Ų16975.9 Ų75.966%0.66341%0.414SS*.EExtended strand (participates in β ladder)trans-99.7129.7174.2-69.4-86.8000109.6G570 N571 K572Y566-G570 WeakPolarHBondContact CD1-O 3.39Å; Y566-N571 WeakPolarHBondContact CA-O 3.5Å; Y566-K572 HydrophobicContact CD1-CB 4.31Å; Y566-K572 HydrophobicContact CE1-CB 4Å; Y566-K572 HydrophobicContact CE1-CG 4.48Å
567D85Confident75.8Confident38 Ų3876.7 Ų76.720%0.20341%0.413CS..  trans-71.6177.8175.4737000112.2H569 G570 N571 V573D567-H569 PolarHBondContact O-N 3.37Å; D567-H569 VanDerWaalsContact O-N 3.07Å; D567-H569 VanDerWaalsContact OD1-C 3.22Å; D567-H569 VanDerWaalsContact OD1-CA 3.28Å; D567-H569 WeakPolarHBondContact OD1-CA 3.49Å; D567-H569 WeakPolarHBondContact OD1-CB 3.27Å; D567-H569 PolarHBondContact OD1-N 3.36Å; D567-G570 PolarHBondContact O-N 3.11Å; D567-G570 PolarHBondContact OD1-N 3.08Å; D567-N571 PolarHBondContact N-O 3.08Å; D567-N571 PolarHBondContact OD1-N 3.18Å; D567-N571 PolarHBondContact OD1-ND2 3.41Å; D567-N571 WeakPolarHBondContact OD2-CB 3.35Å; D567-N571 PolarHBondContact OD2-ND2 3.46Å; D567-V573 HydrophobicContact CB-CG2 3.87Å
568E82.8Confident76.6Confident193 Ų19375.8 Ų75.890%0.90240%0.399SS*.THydrogen-bonded Turntrans-59.3-17.4177.7-51.3178.6-159.700113.2
569H84.5Confident76.4Confident151 Ų15175.1 Ų75.170%0.69940%0.399SS*.THydrogen-bonded Turntrans-103.34.3-179.6-57.8-57.1000112.7D567 N571D567-H569 PolarHBondContact O-N 3.37Å; D567-H569 VanDerWaalsContact O-N 3.07Å; D567-H569 VanDerWaalsContact OD1-C 3.22Å; D567-H569 VanDerWaalsContact OD1-CA 3.28Å; D567-H569 WeakPolarHBondContact OD1-CA 3.49Å; D567-H569 WeakPolarHBondContact OD1-CB 3.27Å; D567-H569 PolarHBondContact OD1-N 3.36Å; H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 WeakPolarHBondContact CB-ND2 3.2Å; H569-N571 PolarHBondContact O-N 3.38Å
570G82.7Confident75.9Confident51 Ų5174.8 Ų74.853%0.52639%0.389SS..SBendtrans7710.5-178.500000114.6Y566 D567Y566-G570 WeakPolarHBondContact CD1-O 3.39Å; D567-G570 PolarHBondContact O-N 3.11Å; D567-G570 PolarHBondContact OD1-N 3.08Å
571N75.6Confident75.3Confident50 Ų5074.2 Ų74.227%0.26739%0.388SS..  trans-80136.7174.4-51.1-59.9000110Y566 D567 H569 V573Y566-N571 WeakPolarHBondContact CA-O 3.5Å; D567-N571 PolarHBondContact N-O 3.08Å; D567-N571 PolarHBondContact OD1-N 3.18Å; D567-N571 PolarHBondContact OD1-ND2 3.41Å; D567-N571 WeakPolarHBondContact OD2-CB 3.35Å; D567-N571 PolarHBondContact OD2-ND2 3.46Å; H569-N571 VanDerWaalsContact C-N 3.3Å; H569-N571 WeakPolarHBondContact CB-ND2 3.2Å; H569-N571 PolarHBondContact O-N 3.38Å; N571-V573 PolarHBondContact O-N 3.33Å
572K77.6Confident74.5Confident108 Ų10874 Ų7447%0.4739%0.386SS..EExtended strand (participates in β ladder)trans-72.2117.9173.1-169.8-172.8177-152.40109.5S564 Y566 D574S564-K572 VanDerWaalsContact CB-CE 3.46Å; S564-K572 VanDerWaalsContact OG-CE 3.27Å; S564-K572 WeakPolarHBondContact OG-CE 3.03Å; Y566-K572 HydrophobicContact CD1-CB 4.31Å; Y566-K572 HydrophobicContact CE1-CB 4Å; Y566-K572 HydrophobicContact CE1-CG 4.48Å; K572-D574 WeakPolarHBondContact CE-OD1 3.38Å; K572-D574 IonicContact NZ-OD1 2.89Å
573V73.4Confident73.1Confident0 Ų074.8 Ų74.80%039%0.39CS..EExtended strand (participates in β ladder)trans-105.6118.5175.5-174.80000108.6S564 F565 D567 N571 E596 T598S564-V573 CarbonylContact C-O 3.53Å; S564-V573 WeakPolarHBondContact CA-O 3.34Å; F565-V573 HydrophobicContact CD1-CB 4.37Å; F565-V573 HydrophobicContact CD2-CB 4.4Å; F565-V573 HydrophobicContact CE1-CB 3.98Å; F565-V573 HydrophobicContact CE1-CG1 3.85Å; F565-V573 HydrophobicContact CE2-CB 4Å; F565-V573 HydrophobicContact CE2-CG1 4.4Å; F565-V573 HydrophobicContact CE2-CG2 4.2Å; F565-V573 HydrophobicContact CZ-CB 3.78Å; F565-V573 HydrophobicContact CZ-CG1 3.7Å; F565-V573 HydrophobicContact CZ-CG2 4.31Å; F565-V573 PolarHBondContact N-O 3.5Å; F565-V573 PolarHBondContact O-N 3.16Å; D567-V573 HydrophobicContact CB-CG2 3.87Å; N571-V573 PolarHBondContact O-N 3.33Å; V573-E596 HydrophobicContact CG1-CG 3.93Å; V573-T598 HydrophobicContact CG2-CG2 4Å
574D76.7Confident71.5Confident61 Ų6177.2 Ų77.233%0.32640%0.397SS..EExtended strand (participates in β ladder)trans-85.5137171.9-60.1-41.7000108.5S564 K572 E597S564-D574 WeakPolarHBondContact CB-OD1 3.41Å; K572-D574 WeakPolarHBondContact CE-OD1 3.38Å; K572-D574 IonicContact NZ-OD1 2.89Å; D574-E597 PolarHBondContact O-N 3.47Å
575F75Confident70Confident59 Ų5980.6 Ų80.626%0.25942%0.417SS..EExtended strand (participates in β ladder)trans-126.6146.3177.774.5-92.5000112.2T562 G563 F565 K577T562-F575 WeakPolarHBondContact CA-O 3.41Å; G563-F575 PolarHBondContact N-O 2.7Å; G563-F575 VanDerWaalsContact O-CD1 3.3Å; G563-F575 WeakPolarHBondContact O-CD1 3.39Å; G563-F575 PolarHBondContact O-N 3.41Å; F565-F575 AromaticContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CD1 3.79Å; F565-F575 HydrophobicContact CD1-CE1 4.34Å; F565-F575 HydrophobicContact CE1-CB 4.47Å; F565-F575 HydrophobicContact CE1-CD1 4.22Å; F575-K577 HydrophobicContact CD2-CB 4.43Å
576E74.5Confident68.3Low67 Ų6779.7 Ų79.731%0.31343%0.432SS..EExtended strand (participates in β ladder)trans-124.6126.2171.2-177.1176-168.500109.1V560 T562 K595V560-E576 HydrophobicContact CG1-CG 3.94Å; T562-E576 HydrophobicContact CG2-CB 4.29Å; T562-E576 HydrophobicContact CG2-CG 4.05Å; E576-K595 PolarHBondContact N-O 2.95Å; E576-K595 PolarHBondContact O-N 3.33Å
577K66Low66.8Low68 Ų6877.2 Ų77.230%0.29643%0.425SS..EExtended strand (participates in β ladder)trans-117.2114.5-175.9177.9-179.4-178.8159.70109.1V560 S561 F575 H592V560-K577 CarbonylContact C-O 3.44Å; V560-K577 WeakPolarHBondContact CA-O 3.28Å; S561-K577 PolarHBondContact N-O 3.29Å; S561-K577 WeakPolarHBondContact O-CA 3.46Å; S561-K577 WeakPolarHBondContact O-CB 3.3Å; S561-K577 PolarHBondContact O-N 3.39Å; F575-K577 HydrophobicContact CD2-CB 4.43Å; K577-H592 WeakPolarHBondContact CE-CE1 3.44Å; K577-H592 WeakPolarHBondContact CE-NE2 3.37Å; K577-H592 PolarHBondContact NZ-NE2 3.01Å
578E72.1Confident64.5Low34 Ų3481.5 Ų81.516%0.15944%0.444CS..EExtended strand (participates in β ladder)trans-103.5123.5174.5-54.6-170.1134.900110.2K558 S559 V560 Y580 M593K558-E578 WeakPolarHBondContact CE-OE1 3.35Å; K558-E578 IonicContact NZ-OE1 3.71Å; K558-E578 PolarHBondContact NZ-OE1 2.76Å; K558-E578 IonicContact NZ-OE2 3.96Å; S559-E578 CarbonylContact O-C 3.51Å; V560-E578 HydrophobicContact CG1-CG 4.49Å; V560-E578 HydrophobicContact CG2-CG 4.22Å; E578-Y580 HydrophobicContact CB-CD2 4.43Å; E578-Y580 HydrophobicContact CB-CE2 3.8Å; E578-Y580 PolarHBondContact OE2-OH 3.17Å; E578-M593 HydrophobicContact CB-CB 4.35Å; E578-M593 PolarHBondContact N-O 3.13Å; E578-M593 PolarHBondContact O-N 3.46Å; E578-M593 VanDerWaalsContact O-N 3.14Å; E578-M593 WeakPolarHBondContact OE2-CE 3.43Å
579L59Low62.5Low60 Ų6078.9 Ų78.931%0.31443%0.426SS..EExtended strand (participates in β ladder)trans-105.4120.3176.1-72.4163.4000108.4K558 S559K558-L579 CarbonylContact C-O 3.56Å; K558-L579 VanDerWaalsContact CA-O 3.27Å; K558-L579 WeakPolarHBondContact CA-O 3.49Å; S559-L579 PolarHBondContact N-O 3.36Å; S559-L579 WeakPolarHBondContact O-CB 3.46Å; S559-L579 PolarHBondContact O-N 2.97Å
580Y57.3Low60.5Low57 Ų5774 Ų7422%0.22441%0.409CS..EExtended strand (participates in β ladder)trans-109.4120.3169.9-65.4-96.1000108.8A557 K558 E578 L591 M593A557-Y580 WeakPolarHBondContact O-CA 3.33Å; K558-Y580 HydrophobicContact CB-CD1 4.41Å; K558-Y580 HydrophobicContact CB-CE1 4.36Å; K558-Y580 HydrophobicContact CD-CE1 3.83Å; K558-Y580 VanDerWaalsContact CE-OH 3.29Å; K558-Y580 WeakPolarHBondContact CE-OH 3.45Å; K558-Y580 HydrophobicContact CG-CD1 4.25Å; K558-Y580 HydrophobicContact CG-CE1 3.89Å; K558-Y580 PolarHBondContact NZ-OH 3.44Å; E578-Y580 HydrophobicContact CB-CD2 4.43Å; E578-Y580 HydrophobicContact CB-CE2 3.8Å; E578-Y580 PolarHBondContact OE2-OH 3.17Å; Y580-L591 HydrophobicContact CD2-CD2 4.37Å; Y580-L591 PolarHBondContact N-O 3.14Å; Y580-M593 HydrophobicContact CE2-CE 4.34Å
581S56.7Low58.5Low56 Ų5675.3 Ų75.339%0.39240%0.404SS..EExtended strand (participates in β ladder)trans-116.8116.517255.90000109.1T556 A557T556-S581 CarbonylContact C-O 3.59Å; T556-S581 WeakPolarHBondContact CA-O 3.47Å; A557-S581 WeakPolarHBondContact CB-OG 3.42Å; A557-S581 PolarHBondContact N-O 2.88Å; A557-S581 PolarHBondContact O-N 3.41Å; A557-S581 PolarHBondContact O-OG 3.19Å
582S56.3Low57Low49 Ų4974.3 Ų74.334%0.34340%0.398SS..EExtended strand (participates in β ladder)trans-95.3134.6169.470.10000111.2G555 D584G555-S582 CarbonylContact O-C 3.48Å; G555-S582 VanDerWaalsContact O-CA 3.25Å; G555-S582 WeakPolarHBondContact O-CA 3.37Å; S582-D584 VanDerWaalsContact C-N 3.27Å; S582-D584 PolarHBondContact O-N 3.12Å; S582-D584 VanDerWaalsContact O-N 3.14Å
583V50.1Low55.4Low121 Ų12172 Ų7273%0.73339%0.389SS*.  trans-84.371.8170.6-171.10000107.6G555G555-V583 PolarHBondContact O-N 3.29Å
584D49.7Very low53.9Low80 Ų8075.9 Ų75.943%0.42841%0.407SS..  trans-118.9105.1168-166.13.6000108.2S582 G586 K587S582-D584 VanDerWaalsContact C-N 3.27Å; S582-D584 PolarHBondContact O-N 3.12Å; S582-D584 VanDerWaalsContact O-N 3.14Å; D584-G586 PolarHBondContact O-N 3.01Å; D584-K587 HydrophobicContact CB-CB 4.47Å; D584-K587 PolarHBondContact O-N 3.36Å
585P49.2Very low52.4Low134 Ų13476.4 Ų76.487%0.8741%0.407SS*.THydrogen-bonded Turntrans-66.58.3-169.724.8-32.8000115.5
586G49.7Very low50.9Low67 Ų6775.9 Ų75.969%0.69141%0.405SS*.THydrogen-bonded Turntrans-127.52.6172.800000115D584D584-G586 PolarHBondContact O-N 3.01Å
587K48.5Very low49.7Very low118 Ų11875.7 Ų75.751%0.51340%0.404SS..  trans-150.373.5-174-72.5-175.4-178.1177.60110.9D584 Y589D584-K587 HydrophobicContact CB-CB 4.47Å; D584-K587 PolarHBondContact O-N 3.36Å; K587-Y589 HydrophobicContact CB-CD2 4.12Å; K587-Y589 HydrophobicContact CB-CE2 3.7Å; K587-Y589 HydrophobicContact CD-CE2 4.1Å; K587-Y589 HydrophobicContact CG-CE2 4.07Å; K587-Y589 PolarHBondContact O-N 3.44Å
588E38.1Very low48.6Very low127 Ų12773.8 Ų73.859%0.59340%0.398SS*.  trans-73.499.9170.1-69-172.2176.500110
589Y39.7Very low47.3Very low138 Ų13877.1 Ų77.154%0.54141%0.412SS..  trans-114.6113.2162.2-53.8-71.5000108K587K587-Y589 HydrophobicContact CB-CD2 4.12Å; K587-Y589 HydrophobicContact CB-CE2 3.7Å; K587-Y589 HydrophobicContact CD-CE2 4.1Å; K587-Y589 HydrophobicContact CG-CE2 4.07Å; K587-Y589 PolarHBondContact O-N 3.44Å
590S42.3Very low46.5Very low48 Ų4878.3 Ų78.334%0.33642%0.415SS..EExtended strand (participates in β ladder)trans-86.9110.1159.8-64.40000108.2H592S590-H592 PolarHBondContact O-N 3.05Å
591L40.4Very low45.8Very low79 Ų7983.1 Ų83.141%0.41444%0.44SS..EExtended strand (participates in β ladder)trans-79.8116.7167.9-164.884.3000107.2Y580 M593Y580-L591 HydrophobicContact CD2-CD2 4.37Å; Y580-L591 PolarHBondContact N-O 3.14Å; L591-M593 HydrophobicContact CD2-CG 3.94Å; L591-M593 HydrophobicContact CD2-SD 4.22Å; L591-M593 HydrophobicContact CG-CG 4.35Å
592H45.3Very low45.6Very low30 Ų3086.4 Ų86.414%0.13945%0.447CS..EExtended strand (participates in β ladder)trans-92.3125.8169-133.968.4000107.9K577 S590K577-H592 WeakPolarHBondContact CE-CE1 3.44Å; K577-H592 WeakPolarHBondContact CE-NE2 3.37Å; K577-H592 PolarHBondContact NZ-NE2 3.01Å; S590-H592 PolarHBondContact O-N 3.05Å
593M42.6Very low45Very low60 Ų6090 Ų9030%0.29647%0.469SS..EExtended strand (participates in β ladder)trans-118123.7164.5-59.1-141.6-55.500108.3E578 Y580 L591E578-M593 HydrophobicContact CB-CB 4.35Å; E578-M593 PolarHBondContact N-O 3.13Å; E578-M593 PolarHBondContact O-N 3.46Å; E578-M593 VanDerWaalsContact O-N 3.14Å; E578-M593 WeakPolarHBondContact OE2-CE 3.43Å; Y580-M593 HydrophobicContact CE2-CE 4.34Å; L591-M593 HydrophobicContact CD2-CG 3.94Å; L591-M593 HydrophobicContact CD2-SD 4.22Å; L591-M593 HydrophobicContact CG-CG 4.35Å
594E42.3Very low44.8Very low81 Ų8187.9 Ų87.938%0.37946%0.456SS..EExtended strand (participates in β ladder)trans-117.8105.5177.7-178.7171.4-159.900107.5Y618E594-Y618 HydrophobicContact CB-CD2 4.37Å
595K45.7Very low44.8Very low72 Ų7291.5 Ų91.531%0.31347%0.47SS..EExtended strand (participates in β ladder)trans-94.6109.8176.7-172.9-174.2171.6-154.10108E576 E597 Q615E576-K595 PolarHBondContact N-O 2.95Å; E576-K595 PolarHBondContact O-N 3.33Å; K595-E597 WeakPolarHBondContact CE-OE1 3.4Å; K595-E597 IonicContact NZ-OE1 2.77Å; K595-E597 PolarHBondContact NZ-OE1 3.28Å; K595-Q615 HydrophobicContact CG-CG 4.41Å
596E44.7Very low44.4Very low47 Ų4792 Ų9222%0.2247%0.474CS..EExtended strand (participates in β ladder)trans-89.2126.6172.2-165-179.6168.800108.8V573 V614V573-E596 HydrophobicContact CG1-CG 3.93Å; E596-V614 CarbonylContact O-C 3.58Å
597E47.7Very low44.4Very low63 Ų6392.4 Ų92.429%0.29448%0.478SS..EExtended strand (participates in β ladder)trans-118.896.2168.7-72.4-163.6176.100109.5D574 K595 K599 T613D574-E597 PolarHBondContact O-N 3.47Å; K595-E597 WeakPolarHBondContact CE-OE1 3.4Å; K595-E597 IonicContact NZ-OE1 2.77Å; K595-E597 PolarHBondContact NZ-OE1 3.28Å; E597-K599 PolarHBondContact O-N 2.97Å; E597-T613 HydrophobicContact CG-CG2 4.15Å
598T42.7Very low43.6Very low29 Ų2993.1 Ų93.118%0.17848%0.484CS..  trans-81.9108.3173.4-18.20000109.3V573 F600V573-T598 HydrophobicContact CG2-CG2 4Å; T598-F600 PolarHBondContact O-N 3.46Å
599K45.1Very low43.9Very low103 Ų10393.6 Ų93.645%0.44849%0.49SS..  trans-86.5104170-76175.2-169.9155.70108.8E597E597-K599 PolarHBondContact O-N 2.97Å
600F42.6Very low44Very low85 Ų8590.5 Ų90.537%0.37349%0.489SS..  trans-96.1109.3175.3-157.3-92.7000109.4T598 K602T598-F600 PolarHBondContact O-N 3.46Å; F600-K602 HydrophobicContact CD1-CB 3.85Å; F600-K602 HydrophobicContact CD1-CD 4.44Å; F600-K602 HydrophobicContact CD1-CG 4.27Å; F600-K602 HydrophobicContact CE1-CB 3.66Å; F600-K602 HydrophobicContact CE1-CD 3.58Å; F600-K602 HydrophobicContact CE1-CG 3.55Å; F600-K602 HydrophobicContact CZ-CD 4.44Å; F600-K602 HydrophobicContact CZ-CG 4.48Å; F600-K602 PolarHBondContact O-N 3.4Å
601E43.6Very low44.3Very low159 Ų15997 Ų9774%0.74351%0.506SS*.  trans-97.483.9176.3-163.5168.4-153.200108.1L609E601-L609 HydrophobicContact CG-CD2 3.96Å; E601-L609 WeakPolarHBondContact OE1-CD2 3.44Å
602K51.3Low44.6Very low125 Ų125100 Ų10054%0.54352%0.516SS..  trans-91125.8169.7-132.3176.6-151.9173.90108.1F600 V604F600-K602 HydrophobicContact CD1-CB 3.85Å; F600-K602 HydrophobicContact CD1-CD 4.44Å; F600-K602 HydrophobicContact CD1-CG 4.27Å; F600-K602 HydrophobicContact CE1-CB 3.66Å; F600-K602 HydrophobicContact CE1-CD 3.58Å; F600-K602 HydrophobicContact CE1-CG 3.55Å; F600-K602 HydrophobicContact CZ-CD 4.44Å; F600-K602 HydrophobicContact CZ-CG 4.48Å; F600-K602 PolarHBondContact O-N 3.4Å; K602-V604 HydrophobicContact CB-CG2 4.47Å; K602-V604 PolarHBondContact O-N 2.92Å
603P44.7Very low44.5Very low124 Ų124102.3 Ų102.381%0.80553%0.532SS*.EExtended strand (participates in β ladder)trans-68.298.8170.326.8-29.6000108
604V45Very low44.8Very low76 Ų76101.7 Ų101.746%0.46153%0.532SS..EExtended strand (participates in β ladder)trans-102.294.9165.7178.70000104.8K602K602-V604 HydrophobicContact CB-CG2 4.47Å; K602-V604 PolarHBondContact O-N 2.92Å
605E49.4Very low45.1Very low156 Ų156102.6 Ų102.673%0.72954%0.536SS*.THydrogen-bonded Turntrans62157.8-179.6-64.1-165.4156.900116.5G607E605-G607 PolarHBondContact O-N 3.45Å
606P41.7Very low45.1Very low145 Ų145105.1 Ų105.194%0.94254%0.543SS*.THydrogen-bonded Turntrans-65.599.9177.8-1126.1000109.9
607G48.6Very low44.8Very low75 Ų75110.9 Ų110.977%0.77356%0.564SS**THydrogen-bonded Turntrans120.2-0.1169.700000117.4E605E605-G607 PolarHBondContact O-N 3.45Å
608M32.9Very low44.6Very low133 Ų133113.2 Ų113.266%0.65557%0.571SS**EExtended strand (participates in β ladder)trans-115.2100.9177.8-77.9-175.658.600113S610M608-S610 PolarHBondContact O-N 3.27Å
609L43.3Very low44.6Very low137 Ų137119.4 Ų119.472%0.71760%0.596SS**EExtended strand (participates in β ladder)trans-76.2106.1169.4-83135.4000110.4E601E601-L609 HydrophobicContact CG-CD2 3.96Å; E601-L609 WeakPolarHBondContact OE1-CD2 3.44Å
610S43.3Very low44.7Very low73 Ų73120.1 Ų120.151%0.5160%0.599SS.*  trans-78.4119.5168.9-173.30000109.9M608M608-S610 PolarHBondContact O-N 3.27Å
611R47.1Very low44.4Very low185 Ų185120.6 Ų120.670%0.69861%0.609SS**  trans-110.5119.3178.4-144.8-176.5-162.5-149.47.2109.3
612K46.3Very low44.2Very low142 Ų142118.7 Ų118.762%0.61760%0.595SS**  trans-117.5105.2179.4-172.7174.4-179.1177.90111.4V614K612-V614 HydrophobicContact CG-CG2 4.3Å
613T44.8Very low43.5Very low79 Ų79119.3 Ų119.349%0.48561%0.61SS.*  trans-90.1127175.6-52.40000110.5E597 Q615E597-T613 HydrophobicContact CG-CG2 4.15Å; T613-Q615 HydrophobicContact CG2-CG 4.45Å
614V47.7Very low42.9Very low46 Ų46116.9 Ų116.928%0.27960%0.596SS.*  trans-119.497.9179.2-178.80000110.7E596 K612 R616E596-V614 CarbonylContact O-C 3.58Å; K612-V614 HydrophobicContact CG-CG2 4.3Å; V614-R616 HydrophobicContact CG1-CG 4.29Å
615Q48.4Very low42.3Very low100 Ų100119.7 Ų119.747%0.46761%0.613SS.*  trans-85.8128.9175.1-67.4177.3-8.500111.2K595 T613 Y617K595-Q615 HydrophobicContact CG-CG 4.41Å; T613-Q615 HydrophobicContact CG2-CG 4.45Å; Q615-Y617 HydrophobicContact CB-CE2 4.25Å; Q615-Y617 PolarHBondContact OE1-OH 3.35Å
616R47Very low41.6Very low126 Ų126117.4 Ų117.448%0.47561%0.61SS.*  trans-119.3149.5173.7-61.6-171.8178.3-177.92.2109.9V614 Y618V614-R616 HydrophobicContact CG1-CG 4.29Å; R616-Y618 HydrophobicContact CB-CD2 4.5Å; R616-Y618 HydrophobicContact CB-CE2 3.71Å; R616-Y618 VanDerWaalsContact CD-OH 3.25Å; R616-Y618 WeakPolarHBondContact CD-OH 3.41Å
617Y38.9Very low41.1Very low168 Ų168115.9 Ų115.966%0.65960%0.599SS**  trans-126.6123.3-177-60-90.1000109.2Q615Q615-Y617 HydrophobicContact CB-CE2 4.25Å; Q615-Y617 PolarHBondContact OE1-OH 3.35Å
618Y42.7Very low40.2Very low111 Ų111117.9 Ų117.944%0.43560%0.596SS.*  trans-127.4111.6-178.4-60.7-73.9000111.9E594 R616 K620E594-Y618 HydrophobicContact CB-CD2 4.37Å; R616-Y618 HydrophobicContact CB-CD2 4.5Å; R616-Y618 HydrophobicContact CB-CE2 3.71Å; R616-Y618 VanDerWaalsContact CD-OH 3.25Å; R616-Y618 WeakPolarHBondContact CD-OH 3.41Å; Y618-K620 PolarHBondContact O-N 3.41Å
619K42.8Very low40.1Very low160 Ų160120.4 Ų120.470%0.69660%0.603SS**  trans-84.6111.1170-174.3179.5-178.5178.30109.5
620K46.3Very low39.5Very low118 Ų118118.5 Ų118.551%0.51360%0.601SS.*  trans-118.3110.3175.7-159.6165.6-179.6-174.40110.5Y618 Y622Y618-K620 PolarHBondContact O-N 3.41Å; K620-Y622 HydrophobicContact CB-CE2 4.26Å; K620-Y622 HydrophobicContact CD-CE2 4.22Å; K620-Y622 WeakPolarHBondContact CD-OH 3.44Å; K620-Y622 WeakPolarHBondContact CE-OH 3.33Å; K620-Y622 HydrophobicContact CG-CE2 4.03Å
621T37.5Very low39Very low94 Ų94122.8 Ų122.858%0.57762%0.618SS**  trans-84.7118.8178.1-20.60000108.8
622Y39.6Very low38.6Very low119 Ų119120 Ų12047%0.46762%0.622SS.*  trans-101.6130.3169.6-66.3-85.9000108.6K620K620-Y622 HydrophobicContact CB-CE2 4.26Å; K620-Y622 HydrophobicContact CD-CE2 4.22Å; K620-Y622 WeakPolarHBondContact CD-OH 3.44Å; K620-Y622 WeakPolarHBondContact CE-OH 3.33Å; K620-Y622 HydrophobicContact CG-CE2 4.03Å
623T36.8Very low38Very low139 Ų139118 Ų11885%0.85363%0.632SS**  trans-94.397.9165.4-13.30000106.1T625T623-T625 PolarHBondContact O-N 3.25Å
624S31.5Very low37.6Very low72 Ų72117.9 Ų117.950%0.50364%0.639SS.*  trans-88.6105.4178.2-169.70000109.4T626S624-T626 PolarHBondContact O-N 3.31Å; S624-T626 PolarHBondContact OG-OG1 3.41Å; S624-T626 VanDerWaalsContact OG-OG1 3.07Å
625T32.7Very low37.2Very low135 Ų135121.3 Ų121.383%0.82866%0.662SS**  trans-87.882.4163.9240000108.1T623T623-T625 PolarHBondContact O-N 3.25Å
626T33.8Very low36.7Very low109 Ų109124.5 Ų124.567%0.66968%0.681SS**  trans-93.694.2167.6-54.70000108.5S624 T628S624-T626 PolarHBondContact O-N 3.31Å; S624-T626 PolarHBondContact OG-OG1 3.41Å; S624-T626 VanDerWaalsContact OG-OG1 3.07Å; T626-T628 PolarHBondContact O-N 3.11Å
627T30.5Very low36.3Very low113 Ų113124.8 Ų124.869%0.69370%0.697SS**  trans-79.896.4169.2-56.70000109.1K629T627-K629 HydrophobicContact CG2-CG 4.14Å; T627-K629 PolarHBondContact O-N 3.48Å
628T30.2Very low36.3Very low116 Ų116123 Ų12371%0.71270%0.704SS**  trans-78.1100.9165.7-56.10000108.6T626 S630T626-T628 PolarHBondContact O-N 3.11Å; T628-S630 PolarHBondContact O-N 3.48Å
629K30.7Very low36.1Very low186 Ų186123.1 Ų123.181%0.80972%0.721SS**  trans-77.997.7164-71.5-175.8178.7178.70108.4T627 N631T627-K629 HydrophobicContact CG2-CG 4.14Å; T627-K629 PolarHBondContact O-N 3.48Å; K629-N631 PolarHBondContact O-N 2.9Å
630S30.3Very low35.9Very low98 Ų98120.1 Ų120.169%0.68573%0.726SS**  trans-87.594.1164.156.60000109.7T628 V632T628-S630 PolarHBondContact O-N 3.48Å; S630-V632 VanDerWaalsContact C-N 3.32Å; S630-V632 PolarHBondContact O-N 3.38Å; S630-V632 VanDerWaalsContact O-N 3.15Å
631N32.7Very low35.5Very low162 Ų162123.2 Ų123.287%0.86674%0.742SS**  trans-77.888.5159.8-91.8-14.8000107.9K629K629-N631 PolarHBondContact O-N 2.9Å
632V40Very low35.5Very low128 Ų128126.7 Ų126.778%0.77675%0.754SS**  trans-120.883.4158-1760000106.5S630 A634S630-V632 VanDerWaalsContact C-N 3.32Å; S630-V632 PolarHBondContact O-N 3.38Å; S630-V632 VanDerWaalsContact O-N 3.15Å; V632-A634 PolarHBondContact O-N 3.48Å
633A33.9Very low35.7Very low99 Ų99125.8 Ų125.882%0.81876%0.763SS**  trans-68.7107.8162.200000107.2
634A35Very low35.7Very low77 Ų77124.3 Ų124.364%0.63676%0.758SS**  trans-66.5135.9167.400000109.2V632 L636V632-A634 PolarHBondContact O-N 3.48Å; A634-L636 PolarHBondContact O-N 3.08Å; A634-L636 VanDerWaalsContact O-N 3.12Å
635P40.6Very low36.1Very low118 Ų118126.2 Ų126.277%0.76677%0.771SS**  trans-73.5103.9168.128.8-29.6000108.8T637P635-T637 PolarHBondContact O-N 3.39Å
636L38.2Very low36.5Very low166 Ų166125.5 Ų125.587%0.86977%0.767SS**  trans-72.498.8159.7-76.2163000107.3A634A634-L636 PolarHBondContact O-N 3.08Å; A634-L636 VanDerWaalsContact O-N 3.12Å
637T38.6Very low36.8Very low132 Ų132131.1 Ų131.181%0.8178%0.777SS**  trans-106.5105.3161.941.60000108.6P635P635-T637 PolarHBondContact O-N 3.39Å
638T38.7Very low37.2Very low132 Ų132131.9 Ų131.981%0.8178%0.782SS**  trans-69.4141.5176.5-49.90000110.5
639S36.9Very low37.6Very low113 Ų113137.4 Ų137.479%0.7979%0.79SS**  trans-62136.5178.858.20000115.2
640A39.8Very low38Very low97 Ų97134.2 Ų134.280%0.80279%0.786SS**  trans-165.495.6146.700000107.6
641Q38.4Very low38.6Very low182 Ų182134.7 Ų134.785%0.8579%0.785SS**  75.887.892.2-163.41631.500115.5
642M36.9Very low39Very low168 Ų168135.5 Ų135.583%0.82878%0.783SS**  trans59.5164.9133.6-60.7-60.4-104.100121.6
643P42.4Very low38.9Very low99 Ų99137.7 Ų137.764%0.64379%0.788SS**  cis-142.8175.9-36.437.5-19.1000116.2
644S38.6Very low39.6Very low109 Ų109138.3 Ų138.376%0.76278%0.783SS**  trans84.3121.5142.176.50000123.1
645S39Very low40.2Very low111 Ų111143 Ų14378%0.77679%0.789SS**  trans156.499.913152.90000109.2
646V41.7Very low40.2Very low121 Ų121144.9 Ų144.973%0.73379%0.792SS**  63.1109.892.9-177.10000114
647Y40.5Very low40.3Very low227 Ų227140.4 Ų140.489%0.8979%0.786SS**  -175134.9119.2-103.2-75.8000111.5
648T38Very low40.8Very low129 Ų129139.8 Ų139.879%0.79178%0.784SS**  trans-107.6147.6-177.439.50000111.2
649R37.8Very low41.2Very low232 Ų232141.3 Ų141.388%0.87579%0.785SS**  trans-174.2110.8143.1-129.2166.9178.5-154.7-2.4110.6
650T40Very low41.3Very low119 Ų119141.1 Ų141.173%0.7378%0.784SS**  51.6133.48142.10000114.1
651T42.5Very low41.6Very low108 Ų108140.4 Ų140.466%0.66378%0.778SS**  cis-171.81710.5-50.50000106.7
652E41.3Very low42Very low178 Ų178138.5 Ų138.583%0.83277%0.774SS**  trans101.9107.7147-62.1172.1-154.100121.1
653M38.9Very low42.4Very low175 Ų175138.3 Ų138.386%0.86277%0.771SS**  trans-66174.7147.5-75.8-99.5168.700110.3
654P47.1Very low42.6Very low111 Ų111138.5 Ų138.572%0.72177%0.774SS**  cis-154.1-179.125.843.7-21.1000118.7
655K48.5Very low43.1Very low177 Ų177141.3 Ų141.377%0.7778%0.776SS**  trans86.9108.2133.9-139.7163.4-176.1173.80123.1
656L39.9Very low43.5Very low157 Ų157149.7 Ų149.782%0.82280%0.799SS**  trans58.9127.4133.5-61.2172.6000122.5
657G39.9Very low43.6Very low72 Ų72151.2 Ų151.274%0.74280%0.802SS**  trans167.7135.414500000113.5
658P49.3Very low43.8Very low118 Ų118147.2 Ų147.277%0.76680%0.797SS**  trans-116.2-162.3-151.436.2-18000114.4
659I47.7Very low44.1Very low165 Ų165148.2 Ų148.285%0.84680%0.798SS**  trans97.1128.8170.3-50.3152.2000111.2
660S40.2Very low44.5Very low109 Ų109143.2 Ų143.276%0.76279%0.793SS**  cis-159155.130-176.40000110.6
661A45.6Very low44.7Very low81 Ų81144.8 Ų144.867%0.66980%0.797SS**  trans-76156.8166.100000112.8
662N47.3Very low44.9Very low142 Ų142147.2 Ų147.276%0.75981%0.806SS**  trans-172.3114.4134.2-94.72.7000107
663E44.6Very low45.1Very low164 Ų164145 Ų14577%0.76680%0.804SS**  85.797.888-165171.6-168.400109.7
664S46.8Very low45.6Very low103 Ų103142.7 Ų142.772%0.7280%0.799SS**  82.2140.788.1-160.80000113.8
665Q48Very low45.5Very low169 Ų169145.3 Ų145.379%0.7981%0.806SS**  trans88.387.9172-51.5-168.3600117.4
666F48.3Very low45.2Very low287 Ų287142.5 Ų142.5100%1.25981%0.809SS**  -155.20108.8-105-76.6000110.7

Retrieved 666 of 666 residues in 221.9 ms (Link to these results)