A0A096N330_PAPAN Loading...

KLF transcription factor 10

AlphaFold DB (G7MZW5), UniProt , Accession A0A096N330, Species PAPAN (Papio anubis, Olive baboon), Gene KLF10, Length 480 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
1M42.5Very low45.7Very low239 Ų239139.2 Ų139.2100%1.17777%0.768SS**  0129.60-67.6177.1176.200106.7
2L40Very low45.6Very low162 Ų162132.6 Ų132.685%0.84875%0.745SS**  cis-126.8179.77.5-73.1172.1000112.7
3N41.6Very low45.8Very low143 Ų143132.5 Ų132.577%0.76574%0.735SS**  trans-73.5145-167.4-58.8-26.9000114.8
4F43.8Very low45.6Very low222 Ų222133.4 Ų133.497%0.97473%0.731SS**  trans-13430.9154-98.1-78.4000112
5G48.8Very low45.9Very low70 Ų70138.5 Ų138.572%0.72274%0.735SS**  trans-105.214.5-17000000117
6A49.8Very low46.1Very low76 Ų76140 Ų14063%0.62874%0.739SS**SBendtrans-107.1-24.8-170.400000115.6
7S48.6Very low46Very low103 Ų103142.2 Ų142.272%0.7274%0.741SS**THydrogen-bonded Turntrans-84.6-13.6-164.1-166.10000116.1
8L46.8Very low45.7Very low153 Ų153143.6 Ų143.680%0.80175%0.746SS**THydrogen-bonded Turntrans-100.6-13.7-174.9-90.5165.6000114.4T11L8-T11 PolarHBondContact O-OG1 3.48Å
9Q46.8Very low45.8Very low135 Ų135143.9 Ų143.963%0.63175%0.747SS**THydrogen-bonded Turntrans-87.8-37.8-173.9-160.6158.6-2.300112.4T11 A12 E13Q9-T11 VanDerWaalsContact C-N 3.32Å; Q9-T11 PolarHBondContact O-N 3.42Å; Q9-A12 WeakPolarHBondContact O-CB 3.42Å; Q9-A12 PolarHBondContact O-N 3.26Å; Q9-A12 VanDerWaalsContact O-N 3.07Å; Q9-E13 PolarHBondContact O-N 3.48Å
10Q47.1Very low45.8Very low148 Ų148141.1 Ų141.169%0.69274%0.74SS**Hα-helixtrans-59.6-40.5174.7-71.5-177.6-38.400112.4A12 E13 E14Q10-A12 PolarHBondContact O-N 3.21Å; Q10-A12 VanDerWaalsContact O-N 3.15Å; Q10-E13 PolarHBondContact O-N 3.07Å; Q10-E14 WeakPolarHBondContact O-CB 3.07Å; Q10-E14 PolarHBondContact O-N 3.47Å
11T47.2Very low45.7Very low80 Ų80143 Ų14349%0.49175%0.745SS.*Hα-helixtrans-65.1-14176.642.80000114.7L8 Q9L8-T11 PolarHBondContact O-OG1 3.48Å; Q9-T11 VanDerWaalsContact C-N 3.32Å; Q9-T11 PolarHBondContact O-N 3.42Å
12A44.8Very low45.4Very low60 Ų60143 Ų14350%0.49673%0.732SS.*Hα-helixtrans-92.1-45.3173.600000111.6Q9 Q10 R15 M16Q9-A12 WeakPolarHBondContact O-CB 3.42Å; Q9-A12 PolarHBondContact O-N 3.26Å; Q9-A12 VanDerWaalsContact O-N 3.07Å; Q10-A12 PolarHBondContact O-N 3.21Å; Q10-A12 VanDerWaalsContact O-N 3.15Å; A12-R15 PolarHBondContact O-N 3.42Å; A12-M16 PolarHBondContact O-N 3Å
13E47.6Very low45.3Very low131 Ų131140.9 Ų140.961%0.61273%0.728SS**Hα-helixtrans-68.3-38.7-178.4-66.1-170.8141.600112.8Q9 Q10 R15 M16 K17Q9-E13 PolarHBondContact O-N 3.48Å; Q10-E13 PolarHBondContact O-N 3.07Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.42Å; E13-M16 PolarHBondContact O-N 3.44Å; E13-K17 PolarHBondContact O-N 3.14Å
14E43.3Very low45.5Very low146 Ų146144.6 Ų144.668%0.68274%0.737SS**Hα-helixtrans-60.5-38.1177-171.4175.4-163.700111.9Q10 M16Q10-E14 WeakPolarHBondContact O-CB 3.07Å; Q10-E14 PolarHBondContact O-N 3.47Å; E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 3.37Å
15R50.4Low45.5Very low210 Ų210142.5 Ų142.579%0.79273%0.731SS**Hα-helixtrans-72.7-21.9175.7-78.6-174.2169.6177.9-1114.1A12 E13A12-R15 PolarHBondContact O-N 3.42Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.42Å
16M48.7Very low44.9Very low162 Ų162144.4 Ų144.480%0.79873%0.733SS**Hα-helixtrans-94.4-14.2179-152.4156.2-167.400113.3A12 E13 E14A12-M16 PolarHBondContact O-N 3Å; E13-M16 PolarHBondContact O-N 3.44Å; E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 3.37Å
17K44.6Very low44.1Very low178 Ų178148.6 Ų148.677%0.77474%0.741SS**Hα-helixtrans-85.2-22.6174.4-134.4170.9-173.7175.30114.1E13 I19E13-K17 PolarHBondContact O-N 3.14Å; K17-I19 PolarHBondContact O-N 3.48Å
18M41.1Very low43.4Very low167 Ų167155.2 Ų155.282%0.82375%0.752SS**THydrogen-bonded Turntrans-80.617.9178.1-81.4-90.5-81.300115
19I47.5Very low42.8Very low150 Ų150152.5 Ų152.577%0.76975%0.746SS**THydrogen-bonded Turntrans-119.6-8.8178.1-61.6179.5000112K17K17-I19 PolarHBondContact O-N 3.48Å
20S44.8Very low42.2Very low86 Ų86157.3 Ų157.360%0.60176%0.759SS**SBendtrans-101.5144.7170.8-162.90000110.8
21E44.1Very low42.1Very low181 Ų181156 Ų15685%0.84676%0.756SS**  trans66.278.9172.2-57.2-170.7-164.300118
22R37Very low41.8Very low239 Ų239161.1 Ų161.190%0.90277%0.772SS**  trans-132156.3133.8-76.3-161.6176.3-172-1110.7
23P37.5Very low41.5Very low118 Ų118163.7 Ų163.777%0.76678%0.781SS**  trans-73.7152.1-160.4-20.434.5000115.4E25P23-E25 PolarHBondContact O-N 3.27Å
24K44.9Very low41Very low221 Ų221159.8 Ų159.896%0.96177%0.771SS**SBendtrans-82.753.1176.1-66.8179.4178.4172.80112.5
25E43.8Very low40.9Very low179 Ų179159.9 Ų159.984%0.83677%0.772SS**  trans-147.565.3-173-150.1162.3-134.200113.7P23P23-E25 PolarHBondContact O-N 3.27Å
26S36.9Very low40.3Very low110 Ų110157 Ų15777%0.76977%0.765SS**  trans-178.279.9156.2174.40000111.8
27M32.3Very low40.2Very low164 Ų164152.2 Ų152.281%0.80875%0.748SS**  trans-153.528.5161.5-141.9166.671.400115.5
28Y34.8Very low40.2Very low242 Ų242148.9 Ų148.995%0.94974%0.738SS**  trans-125.966172.2-78-70.7000111.6
29S34.1Very low40.3Very low95 Ų95148.2 Ų148.266%0.66473%0.731SS**  trans-131.638.6172.152.20000111.7
30W34.1Very low40.3Very low237 Ų237147 Ų14790%0.89872%0.722SS**  trans-78.6146.7170-83.847.4000110.8K32W30-K32 PolarHBondContact O-N 2.72Å
31N43.9Very low40.4Very low121 Ų121145.3 Ų145.365%0.64771%0.713SS**  trans-75.798.6-157.2-68.2-37000113.8T33 A34N31-T33 PolarHBondContact O-N 2.86Å; N31-A34 PolarHBondContact O-N 3.23Å
32K41.2Very low40.5Very low186 Ų186140.8 Ų140.881%0.80970%0.698SS**THydrogen-bonded Turntrans-60.3-2.5175.7-159.1170.1-175.6175.10115.1W30W30-K32 PolarHBondContact O-N 2.72Å
33T38.5Very low40.9Very low114 Ų114135 Ų13570%0.69968%0.681SS**THydrogen-bonded Turntrans-87.6-28.117339.60000113.8N31N31-T33 PolarHBondContact O-N 2.86Å
34A38.2Very low41.5Very low49 Ų49131.9 Ų131.941%0.40567%0.665SS.*Hα-helixtrans-77.3-42.9-176.600000112.7N31 K36 S37 D38N31-A34 PolarHBondContact O-N 3.23Å; A34-K36 PolarHBondContact O-N 3.48Å; A34-K36 VanDerWaalsContact O-N 3.12Å; A34-S37 PolarHBondContact O-N 2.91Å; A34-S37 PolarHBondContact O-OG 2.85Å; A34-D38 PolarHBondContact O-N 3.13Å
35E40.1Very low41.6Very low149 Ų149127.4 Ų127.470%0.69665%0.651SS**Hα-helixtrans-61.1-25.1178.2-63.2-176.7128.900112.5F39E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 2.62Å; E35-F39 VanDerWaalsContact O-N 3.11Å
36K38.7Very low41.5Very low149 Ų149124.8 Ų124.865%0.64864%0.64SS**Hα-helixtrans-75.2-41.9178.3-166173.6179.4-175.40112.5A34 D38 F39 E40A34-K36 PolarHBondContact O-N 3.48Å; A34-K36 VanDerWaalsContact O-N 3.12Å; K36-D38 VanDerWaalsContact C-N 3.3Å; K36-D38 PolarHBondContact O-N 2.82Å; K36-F39 PolarHBondContact O-N 2.97Å; K36-E40 VanDerWaalsContact O-CB 3.3Å; K36-E40 WeakPolarHBondContact O-CB 3.4Å; K36-E40 PolarHBondContact O-N 2.96Å
37S46Very low41.8Very low62 Ų62123.2 Ų123.243%0.43463%0.629SS.*Hα-helixtrans-65.7-34.6174.951.10000112.2A34 A41A34-S37 PolarHBondContact O-N 2.91Å; A34-S37 PolarHBondContact O-OG 2.85Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.8Å
38D44.4Very low42.2Very low108 Ų108123 Ų12358%0.57863%0.628SS**Hα-helixtrans-71.4-37.1178.3-70.2-0.6000111.5A34 K36 V42A34-D38 PolarHBondContact O-N 3.13Å; K36-D38 VanDerWaalsContact C-N 3.3Å; K36-D38 PolarHBondContact O-N 2.82Å; D38-V42 VanDerWaalsContact O-CG2 3.32Å; D38-V42 WeakPolarHBondContact O-CG2 3.43Å; D38-V42 PolarHBondContact O-N 3.09Å
39F43.2Very low42.8Very low153 Ų153114.6 Ų114.667%0.67161%0.605SS**Hα-helixtrans-67.7-43.9174.1-150.5-87.4000111.9E35 K36 A41 V42 E43E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 2.62Å; E35-F39 VanDerWaalsContact O-N 3.11Å; K36-F39 PolarHBondContact O-N 2.97Å; F39-A41 VanDerWaalsContact C-N 3.35Å; F39-A41 PolarHBondContact O-N 3.2Å; F39-V42 PolarHBondContact O-N 2.96Å; F39-E43 WeakPolarHBondContact O-CB 3.22Å; F39-E43 PolarHBondContact O-N 3.08Å
40E47.3Very low43.2Very low125 Ų125114.4 Ų114.458%0.58460%0.602SS**Hα-helixtrans-65.3-36177.1-169.4164-151.900111.8K36 E43 A44K36-E40 VanDerWaalsContact O-CB 3.3Å; K36-E40 WeakPolarHBondContact O-CB 3.4Å; K36-E40 PolarHBondContact O-N 2.96Å; E40-E43 PolarHBondContact O-N 2.87Å; E40-A44 VanDerWaalsContact O-CB 3.3Å; E40-A44 WeakPolarHBondContact O-CB 3.3Å; E40-A44 PolarHBondContact O-N 3.08Å
41A46.8Very low43.6Very low50 Ų50105.9 Ų105.941%0.41358%0.579SS.*Hα-helixtrans-67.6-37.817200000113S37 F39 L45S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.8Å; F39-A41 VanDerWaalsContact C-N 3.35Å; F39-A41 PolarHBondContact O-N 3.2Å; A41-L45 WeakPolarHBondContact O-CB 3.5Å; A41-L45 PolarHBondContact O-N 3.18Å
42V47.7Very low43.6Very low85 Ų85108.5 Ų108.552%0.51558%0.58SS.*Hα-helixtrans-69.4-39.7174.4168.50000111.4D38 F39 L45 M46D38-V42 VanDerWaalsContact O-CG2 3.32Å; D38-V42 WeakPolarHBondContact O-CG2 3.43Å; D38-V42 PolarHBondContact O-N 3.09Å; F39-V42 PolarHBondContact O-N 2.96Å; V42-L45 PolarHBondContact O-N 2.88Å; V42-M46 WeakPolarHBondContact O-CG 3.47Å; V42-M46 PolarHBondContact O-N 2.97Å
43E44.3Very low43.6Very low119 Ų119107.7 Ų107.756%0.55658%0.576SS**Hα-helixtrans-66-40.3175.4-173.8162-146.300111.9F39 E40 M46 S47F39-E43 WeakPolarHBondContact O-CB 3.22Å; F39-E43 PolarHBondContact O-N 3.08Å; E40-E43 PolarHBondContact O-N 2.87Å; E43-M46 PolarHBondContact O-N 3.38Å; E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 2.76Å; E43-S47 PolarHBondContact O-OG 3.34Å
44A49.4Very low44.1Very low51 Ų51105.4 Ų105.442%0.42157%0.565SS.*Hα-helixtrans-62.4-45.417100000112.1E40 M46 S47 M48E40-A44 VanDerWaalsContact O-CB 3.3Å; E40-A44 WeakPolarHBondContact O-CB 3.3Å; E40-A44 PolarHBondContact O-N 3.08Å; A44-M46 VanDerWaalsContact C-N 3.31Å; A44-M46 PolarHBondContact O-N 2.94Å; A44-S47 PolarHBondContact O-N 3.35Å; A44-M48 WeakPolarHBondContact O-CB 3.18Å; A44-M48 WeakPolarHBondContact O-CG 3.43Å; A44-M48 PolarHBondContact O-N 3.4Å
45L48.4Very low44.5Very low128 Ų128106.8 Ų106.867%0.6757%0.565SS**Hα-helixtrans-61.1-37175.4-97.2156.3000112.8A41 V42 S49A41-L45 WeakPolarHBondContact O-CB 3.5Å; A41-L45 PolarHBondContact O-N 3.18Å; V42-L45 PolarHBondContact O-N 2.88Å; L45-S49 PolarHBondContact O-N 3.07Å
46M40.9Very low44.8Very low124 Ų124105.8 Ų105.861%0.61156%0.559SS**Hα-helixtrans-69.3-45.8174.2-72.3-67.516000111.4V42 E43 A44 M48 S49 C50V42-M46 WeakPolarHBondContact O-CG 3.47Å; V42-M46 PolarHBondContact O-N 2.97Å; E43-M46 PolarHBondContact O-N 3.38Å; A44-M46 VanDerWaalsContact C-N 3.31Å; A44-M46 PolarHBondContact O-N 2.94Å; M46-M48 PolarHBondContact O-N 3.47Å; M46-S49 WeakPolarHBondContact O-CB 3.39Å; M46-S49 PolarHBondContact O-N 3.3Å; M46-S49 PolarHBondContact O-OG 3.06Å; M46-C50 PolarHBondContact O-SG 3.2Å
47S44.3Very low45.4Very low76 Ų76104.6 Ų104.653%0.53155%0.554SS.*Hα-helixtrans-60.4-43.1177.8-61.60000112.5E43 A44 S49 C50E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 2.76Å; E43-S47 PolarHBondContact O-OG 3.34Å; A44-S47 PolarHBondContact O-N 3.35Å; S47-S49 PolarHBondContact O-N 3.15Å; S47-S49 VanDerWaalsContact O-N 3.16Å; S47-C50 PolarHBondContact O-N 3.48Å; S47-C50 VanDerWaalsContact O-N 3.1Å
48M39.1Very low45.7Very low161 Ų161107.8 Ų107.879%0.79356%0.56SS**THydrogen-bonded Turntrans-64.2-15.9175.1-68.9-71.1-77.300113.4A44 M46A44-M48 WeakPolarHBondContact O-CB 3.18Å; A44-M48 WeakPolarHBondContact O-CG 3.43Å; A44-M48 PolarHBondContact O-N 3.4Å; M46-M48 PolarHBondContact O-N 3.47Å
49S47.8Very low46.1Very low65 Ų65111.3 Ų111.346%0.45557%0.567SS.*THydrogen-bonded Turntrans-88-11.4175.383.10000114.1L45 M46 S47L45-S49 PolarHBondContact O-N 3.07Å; M46-S49 WeakPolarHBondContact O-CB 3.39Å; M46-S49 PolarHBondContact O-N 3.3Å; M46-S49 PolarHBondContact O-OG 3.06Å; S47-S49 PolarHBondContact O-N 3.15Å; S47-S49 VanDerWaalsContact O-N 3.16Å
50C42.3Very low46.8Very low90 Ų90108.6 Ų108.661%0.60856%0.562SS**THydrogen-bonded Turntrans-87.8-27.3-172-700000114.8M46 S47 W52M46-C50 PolarHBondContact O-SG 3.2Å; S47-C50 PolarHBondContact O-N 3.48Å; S47-C50 VanDerWaalsContact O-N 3.1Å; C50-W52 PolarHBondContact O-N 3.07Å
51S43.8Very low47.2Very low59 Ų59108.1 Ų108.141%0.41356%0.56SS.*THydrogen-bonded Turntrans-69.8-33.7-173.185.50000113.7K53 S54 D55S51-K53 PolarHBondContact O-N 3.37Å; S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.03Å; S51-D55 WeakPolarHBondContact CB-OD2 3.24Å; S51-D55 VanDerWaalsContact O-CG 3.28Å; S51-D55 PolarHBondContact O-N 3.06Å; S51-D55 VanDerWaalsContact O-OD2 3.05Å; S51-D55 PolarHBondContact OG-OD2 3.22Å
52W43.1Very low47Very low176 Ų176112 Ų11267%0.66757%0.574SS**Hα-helixtrans-59-25.2-167.691.9-76.1000113.9C50 F56C50-W52 PolarHBondContact O-N 3.07Å; W52-F56 WeakPolarHBondContact O-CB 3.49Å; W52-F56 PolarHBondContact O-N 3.41Å
53K40.8Very low46.8Very low168 Ų168117.6 Ų117.673%0.7359%0.585SS**Hα-helixtrans-75-36.3177.8-128179.5-177.9-177.70112.6S51 K57S51-K53 PolarHBondContact O-N 3.37Å; K53-K57 PolarHBondContact O-N 3.48Å
54S49.5Very low46.4Very low67 Ų67117.4 Ų117.447%0.46960%0.595SS.*Hα-helixtrans-74.8-38169.731.80000111.9S51 K57 K58S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.03Å; S54-K57 PolarHBondContact O-N 2.79Å; S54-K58 PolarHBondContact O-N 3.22Å
55D45.6Very low46.2Very low77 Ų77121.4 Ų121.441%0.41261%0.613SS.*Hα-helixtrans-69-40.3-179.7-58.4-37.4000111.3S51 K57 K58 Y59S51-D55 WeakPolarHBondContact CB-OD2 3.24Å; S51-D55 VanDerWaalsContact O-CG 3.28Å; S51-D55 PolarHBondContact O-N 3.06Å; S51-D55 VanDerWaalsContact O-OD2 3.05Å; S51-D55 PolarHBondContact OG-OD2 3.22Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.28Å; D55-K58 PolarHBondContact O-N 3.04Å; D55-Y59 VanDerWaalsContact O-CB 3.3Å; D55-Y59 WeakPolarHBondContact O-CB 3.3Å; D55-Y59 PolarHBondContact O-N 2.88Å
56F48.3Very low45.4Very low128 Ų128121.3 Ų121.356%0.56162%0.619SS**Hα-helixtrans-64.3-35.2172.3-171.1-96.2000112.3W52 Y59 V60W52-F56 WeakPolarHBondContact O-CB 3.49Å; W52-F56 PolarHBondContact O-N 3.41Å; F56-Y59 PolarHBondContact O-N 3.22Å; F56-V60 HydrophobicContact CD1-CG2 4.4Å; F56-V60 HydrophobicContact CE1-CG2 4.09Å; F56-V60 HydrophobicContact CZ-CG2 4.41Å; F56-V60 WeakPolarHBondContact O-CG2 3.36Å; F56-V60 PolarHBondContact O-N 3.05Å; F56-V60 VanDerWaalsContact O-N 3.1Å
57K51.3Low45.2Very low124 Ų124121.2 Ų121.254%0.53963%0.627SS.*Hα-helixtrans-67.1-48.9174.3-162-172.5-176.4-109.50111.1K53 S54 D55 Y59 V60 E61K53-K57 PolarHBondContact O-N 3.48Å; S54-K57 PolarHBondContact O-N 2.79Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.28Å; K57-Y59 VanDerWaalsContact C-N 3.28Å; K57-Y59 PolarHBondContact O-N 3.12Å; K57-V60 PolarHBondContact O-N 2.92Å; K57-V60 VanDerWaalsContact O-N 3.09Å; K57-E61 VanDerWaalsContact CE-OE1 3.32Å; K57-E61 WeakPolarHBondContact CE-OE1 3.45Å; K57-E61 IonicContact NZ-OE1 2.88Å; K57-E61 PolarHBondContact NZ-OE1 3.49Å; K57-E61 IonicContact NZ-OE2 2.62Å; K57-E61 WeakPolarHBondContact O-CG 3.44Å; K57-E61 PolarHBondContact O-N 3.47Å
58K52.1Low45Very low130 Ų130123.1 Ų123.157%0.56564%0.635SS**Hα-helixtrans-57.3-38.6173.4-79.8-176.2172.9179.50112.6S54 D55 V60 E61 N62S54-K58 PolarHBondContact O-N 3.22Å; D55-K58 PolarHBondContact O-N 3.04Å; K58-V60 VanDerWaalsContact C-N 3.34Å; K58-E61 PolarHBondContact O-N 3.22Å; K58-N62 VanDerWaalsContact O-CB 3.28Å; K58-N62 WeakPolarHBondContact O-CB 3.32Å; K58-N62 PolarHBondContact O-N 2.89Å
59Y52.2Low44.6Very low182 Ų182121.3 Ų121.371%0.71464%0.638SS**Hα-helixtrans-67-32.9177.2-178.7-96.6000112.9D55 F56 K57D55-Y59 VanDerWaalsContact O-CB 3.3Å; D55-Y59 WeakPolarHBondContact O-CB 3.3Å; D55-Y59 PolarHBondContact O-N 2.88Å; F56-Y59 PolarHBondContact O-N 3.22Å; K57-Y59 VanDerWaalsContact C-N 3.28Å; K57-Y59 PolarHBondContact O-N 3.12Å
60V57.4Low43.9Very low95 Ų95124.8 Ų124.858%0.57665%0.652SS**Hα-helixtrans-75-38172.9170.80000111.4F56 K57 K58F56-V60 HydrophobicContact CD1-CG2 4.4Å; F56-V60 HydrophobicContact CE1-CG2 4.09Å; F56-V60 HydrophobicContact CZ-CG2 4.41Å; F56-V60 WeakPolarHBondContact O-CG2 3.36Å; F56-V60 PolarHBondContact O-N 3.05Å; F56-V60 VanDerWaalsContact O-N 3.1Å; K57-V60 PolarHBondContact O-N 2.92Å; K57-V60 VanDerWaalsContact O-N 3.09Å; K58-V60 VanDerWaalsContact C-N 3.34Å
61E55.3Low43.4Very low115 Ų115128.7 Ų128.754%0.53767%0.666SS.*Hα-helixtrans-73.7-36-179.5-71.8171.8150.900112.9K57 K58 R63K57-E61 VanDerWaalsContact CE-OE1 3.32Å; K57-E61 WeakPolarHBondContact CE-OE1 3.45Å; K57-E61 IonicContact NZ-OE1 2.88Å; K57-E61 PolarHBondContact NZ-OE1 3.49Å; K57-E61 IonicContact NZ-OE2 2.62Å; K57-E61 WeakPolarHBondContact O-CG 3.44Å; K57-E61 PolarHBondContact O-N 3.47Å; K58-E61 PolarHBondContact O-N 3.22Å; E61-R63 PolarHBondContact O-N 2.95Å
62N42.6Very low42.7Very low131 Ų131130 Ų13070%0.70168%0.675SS**THydrogen-bonded Turntrans-94.822.6-176.9-68.24.5000113.9K58 P64K58-N62 VanDerWaalsContact O-CB 3.28Å; K58-N62 WeakPolarHBondContact O-CB 3.32Å; K58-N62 PolarHBondContact O-N 2.89Å; N62-P64 WeakPolarHBondContact O-CD 3.42Å
63R44.3Very low42.5Very low203 Ų203130.1 Ų130.177%0.76668%0.683SS**PPolyproline II helixtrans-70122.3177.9-175.2178.4-179.1179.3-0.4110E61 V65E61-R63 PolarHBondContact O-N 2.95Å; R63-V65 PolarHBondContact O-N 3.04Å
64P35.3Very low42.1Very low116 Ų116131.6 Ų131.675%0.75369%0.693SS**PPolyproline II helixtrans-64.9128179.325.9-33.7000110.8N62N62-P64 WeakPolarHBondContact O-CD 3.42Å
65V45.3Very low41.5Very low134 Ų134136.3 Ų136.381%0.81271%0.707SS**PPolyproline II helixtrans-85.2121.4169.9179.50000107.7R63R63-V65 PolarHBondContact O-N 3.04Å
66T32.8Very low40.8Very low127 Ų127138.5 Ų138.578%0.77972%0.719SS**PPolyproline II helixtrans-70127.2170.246.30000109.3
67P36.3Very low40Very low122 Ų122140.2 Ų140.279%0.79273%0.733SS**PPolyproline II helixtrans-69.4165.2-179.929.7-35.3000112.5
68V39.6Very low39.1Very low115 Ų115142.1 Ų142.170%0.69775%0.748SS**PPolyproline II helixtrans-70.4150.9177.8177.90000111.1D70V68-D70 WeakPolarHBondContact CG1-OD2 3.38Å
69S30.3Very low38.6Very low123 Ų123142 Ų14286%0.8676%0.761SS**  trans-130.9106.3160.4-63.50000109.1
70D32.8Very low37.5Very low138 Ų138136.2 Ų136.274%0.73876%0.757SS**  trans-87.6134172.8-69.8-64000111.1V68V68-D70 WeakPolarHBondContact CG1-OD2 3.38Å
71L32.4Very low36.3Very low172 Ų172138.5 Ų138.590%0.90177%0.771SS**  trans-147.1111.2149.1-70.5-179.4000104.9
72S30.4Very low35.7Very low88 Ų88138.6 Ų138.662%0.61578%0.782SS**  84.288.251.8-159.90000112.6
73E37.3Very low35Very low178 Ų178138.8 Ų138.883%0.83278%0.783SS**  trans66.7167.1152.1-63.3154.6178.700115
74E33.1Very low34.5Very low198 Ų198137.2 Ų137.293%0.92578%0.782SS**  cis-132.2-147.518.1-60.5176.9106.200113
75E36.6Very low34.5Very low166 Ų166138.8 Ų138.878%0.77678%0.779SS**  trans-121.7163.8-147.7-143.6-177.6123.200116.2
76N31.3Very low33.9Very low123 Ų123138.3 Ų138.366%0.65878%0.776SS**  trans85.4126148.8-82.2-49.5000125
77L31.9Very low33.9Very low165 Ų165139 Ų13986%0.86477%0.774SS**  trans87.5152.4147.5-63.8172.1000122.4
78L32.3Very low34.2Very low163 Ų163138.4 Ų138.485%0.85377%0.77SS**  trans-107.4-179-160.7-79.4172.5000112
79P42.2Very low33.9Very low128 Ų128136.4 Ų136.483%0.83177%0.766SS**  cis-134.3175.411.541.7-23.8000117.3
80G28.6Very low33.9Very low61 Ų61140.2 Ų140.263%0.62977%0.767SS**  trans-153.9-11.8-174.400000121.8
81T31.7Very low33.7Very low143 Ų143139.4 Ų139.488%0.87777%0.77SS**  trans70.7173178.3820000115.4
82P42.2Very low33.6Very low117 Ų117139 Ų13976%0.7677%0.769SS**  -127.8177.8-102.232.2-9.9000117.5
83D29.3Very low33.6Very low135 Ų135141.5 Ų141.572%0.72278%0.78SS**  trans-76.6-179.7-165.2-66-85.9000119.8
84F33.3Very low34.1Very low170 Ų170138.4 Ų138.475%0.74678%0.775SS**  trans119.8131.3144.9-59.3-51.6000115.3
85H35.3Very low34.7Very low149 Ų149134.1 Ų134.169%0.6977%0.765SS**  cis-159.7166.43.7-109.2-51.7000111.4
86T32.5Very low34.3Very low123 Ų123137 Ų13776%0.75577%0.77SS**  trans82.9101.3160.3-30.30000117.3
87I33.3Very low34.3Very low142 Ų142136 Ų13673%0.72877%0.773SS**  cis75.2131.342.9-53.3173.5000113.1
88P42.3Very low34.8Very low110 Ų110133.2 Ų133.271%0.71477%0.765SS**  cis-136.6-174.7-1741.2-22.7000116.1
89A32Very low34.6Very low73 Ų73129.8 Ų129.860%0.60376%0.755SS**  trans16.4148.1139.100000121.4
90F30.6Very low34Very low203 Ų203130.3 Ų130.389%0.8975%0.75SS**  -149.1162.653.4-103.7-89.8000116.5
91C29.8Very low33.9Very low120 Ų120137.6 Ų137.681%0.81177%0.765SS**  trans-88157.2-170-54.50000114.6
92L29.4Very low33.9Very low165 Ų165138.7 Ų138.786%0.86476%0.76SS**  trans-105.9125.7161-68.9169000109.1
93T31.3Very low34Very low139 Ų139137.3 Ų137.385%0.85375%0.751SS**  176.6151.3120.732.80000111.7
94P46.3Very low34Very low113 Ų113135.8 Ų135.873%0.73475%0.751SS**  trans-90.2-178.6172.743.7-39000110.4
95P46.3Very low34Very low108 Ų108136.4 Ų136.470%0.70176%0.756SS**  -151.8-174.479.929.3-3.4000116.7
96Y27.9Very low33.8Very low226 Ų226135 Ų13589%0.88676%0.758SS**  trans86.9148.2160.5-76.5-78.6000123.6
97S31.5Very low33.6Very low102 Ų102134.9 Ų134.971%0.71376%0.762SS**  trans-156.1167.3176-154.50000104.4
98P42.8Very low33.6Very low107 Ų107134.8 Ų134.870%0.69576%0.763SS**  cis-141.7-163.615.544.1-23.8000115.5
99S28.5Very low33.1Very low92 Ų92137.6 Ų137.664%0.64377%0.772SS**  trans81.1112.2148.9-80.60000122.8
100D29.2Very low33.3Very low139 Ų139142.7 Ų142.774%0.74379%0.785SS**  60.6111123.7-53.3-60.2000121.7
101F27.4Very low33.4Very low214 Ų214137.2 Ų137.294%0.93978%0.777SS**  trans-163.6149.7135.4-118-81.8000111.9
102E30.5Very low34.4Very low165 Ų165137.7 Ų137.777%0.77178%0.779SS**  trans-128.3174.7177.5-109.4-93.897.500107.6
103P45.5Very low34.4Very low89 Ų89134.1 Ų134.158%0.57877%0.773SS**  cis-136.5-171.8-8.142.5-25.4000115.4
104S28.7Very low35.3Very low103 Ų103133.1 Ų133.172%0.7277%0.769SS**  trans73142.3154.9-56.60000118.8
105Q33.9Very low34.8Very low182 Ų182132.4 Ų132.485%0.8577%0.766SS**  cis-155.5142.148.5-73.2-176.911.300116
106V30.2Very low34Very low120 Ų120133.2 Ų133.273%0.72777%0.769SS**  39.2120.1127.8-172.20000121.6
107S29Very low34.1Very low121 Ų121129.2 Ų129.285%0.84677%0.768SS**  -159.2159.3119.1-151.40000112.3
108N32.8Very low34.3Very low140 Ų140131 Ų13175%0.74977%0.765SS**  trans-129.3162.2-167.8-69.4-81.3000113.1
109L31.2Very low33.5Very low169 Ų169134.8 Ų134.889%0.88577%0.771SS**  trans-160.3147.2142.1-107.6154.6000113.8
110M37.5Very low33.7Very low180 Ų180139.4 Ų139.489%0.88778%0.779SS**  trans-58.5175.9-174.1-67.1167.8179.400116.3
111A32.6Very low33.4Very low87 Ų87137.3 Ų137.372%0.71978%0.776SS**  cis173-165.2-23.600000106.3
112P49.4Very low33.4Very low131 Ų131134.2 Ų134.285%0.85177%0.768SS**  cis-122.8-163.4-2939.8-22.2000112.6
113A31Very low33.4Very low89 Ų89131.3 Ų131.374%0.73677%0.766SS**  trans-120.7177.9171.600000111.9
114P50.3Low32.4Very low118 Ų118133.7 Ų133.777%0.76677%0.774SS**  -153.1156.6119.840-23.4000119.3
115S33.8Very low32.5Very low98 Ų98134.8 Ų134.869%0.68578%0.776SS**  trans61.6109.3138.266.30000125.4
116T30.2Very low32.2Very low125 Ų125131 Ų13177%0.76778%0.776SS**  61.6112.5110.7-460000122.9
117V31Very low32.3Very low143 Ų143136.7 Ų136.787%0.86779%0.785SS**  trans-141.8143.1137.3-177.20000110.8
118H34.8Very low33.5Very low139 Ų139135.3 Ų135.364%0.64477%0.773SS**  trans-47.8176.3167.8-79.3-129.6000117
119F26.8Very low33.4Very low186 Ų186136.5 Ų136.582%0.81677%0.773SS**  cis-148.7175.218.3-127.5-73.1000112.6
120K31.9Very low33.5Very low189 Ų189135.8 Ų135.882%0.82277%0.769SS**  trans-81-179.6168.9-55.6174.7179174.40110.8
121S23.6Very low33.1Very low96 Ų96131.3 Ų131.367%0.67176%0.76SS**  cis-168.2150.921.1-152.50000115.1
122L26.3Very low32.8Very low149 Ų149131.7 Ų131.778%0.7876%0.763SS**  trans25.9129142.2-61.4170.9000124.6
123S30.1Very low32.6Very low103 Ų103130.3 Ų130.372%0.7276%0.755SS**  63.5163.2127.5-47.80000121.3
124D26.2Very low32.4Very low139 Ų139134.8 Ų134.874%0.74376%0.758SS**  cis-151.6172.5-3.9-141-39.9000113.5
125T29.5Very low31.5Very low126 Ų126136.2 Ų136.277%0.77375%0.752SS**  trans-28.9134.7165-56.90000119.7
126A28Very low31.3Very low102 Ų102137.5 Ų137.584%0.84375%0.747SS**  trans175172.2132.200000115.3
127R32.8Very low31.4Very low241 Ų241139 Ų13991%0.90975%0.745SS**  trans-127.5-173.5-171.4-110.9-178-177.1-177.41.8109.2
128P53.2Low31.5Very low91 Ų91138.8 Ų138.859%0.59174%0.735SS**  cis-137-148.7-24.135-11.9000113.5
129H32.4Very low31.3Very low165 Ų165139.7 Ų139.776%0.76474%0.737SS**  trans89.6147.6169.7-53.6-66.1000116.7
130I32.2Very low31.4Very low154 Ų154135.8 Ų135.879%0.7973%0.733SS**  cis-152.3162.64.5-131.7161.6000112.9
131A28.7Very low32Very low86 Ų86133.1 Ų133.171%0.71174%0.735SS**  trans42.9115.6160.900000124.1
132A27.3Very low32.2Very low95 Ų95131.7 Ų131.779%0.78574%0.735SS**  42.4160.5105.400000121.9
133P44.9Very low32.3Very low103 Ų103130.4 Ų130.467%0.66974%0.739SS**  cis-145.3174.115.746.1-28.4000119.2
134F27.5Very low32.4Very low182 Ų182129.6 Ų129.680%0.79874%0.738SS**  trans58.6147.9152.7-72.1-53.8000120.7
135K30.7Very low33Very low149 Ų149129.5 Ų129.565%0.64875%0.746SS**  cis-140.4138.65.2-120.1-173.8-171.3-710108.7
136E29.5Very low33.3Very low124 Ų124132.5 Ų132.558%0.57975%0.748SS**  64.7137.3106.8-82.3167.4-14000116.3
137E32Very low33.6Very low156 Ų156134.9 Ų134.973%0.72975%0.746SS**  cis-162.5149.23.1178.1158.9110.400112.4
138E32.6Very low34.4Very low139 Ų139128.2 Ų128.265%0.6573%0.734SS**  trans48.8151.4159.2-68.6-114.599.200121.4
139K31.6Very low33.4Very low158 Ų158133.4 Ų133.469%0.68775%0.747SS**  cis-142.5156.72.6-157.3158.8-168.374.90111.7
140S28.2Very low33.4Very low105 Ų105130.3 Ų130.373%0.73475%0.749SS**  trans-148.4178.7171.7-82.20000107.3
141P43.9Very low33.7Very low132 Ų132132.3 Ų132.386%0.85776%0.756SS**  cis-121-164.8543.1-26.9000111.5
142G27.9Very low33.8Very low66 Ų66132.9 Ų132.968%0.6876%0.76SS**  cis-168.9-174-200000107.8
143S28.5Very low34.7Very low123 Ų123135.2 Ų135.286%0.8677%0.765SS**  cis173.2115.6-5.1420000105
144A33.3Very low34.2Very low85 Ų85135.1 Ų135.170%0.70277%0.767SS**  trans-134.5145.8178.500000110.5
145P39Very low34.6Very low138 Ų138132.3 Ų132.390%0.89676%0.764SS**  trans-72.9164.7-176.330-35.2000113.1
146K34.3Very low34.7Very low188 Ų188131.2 Ų131.282%0.81776%0.764SS**  trans-127.9134.7-167-70.2179.8177175.80114.6
147L35.9Very low35.1Very low153 Ų153135.3 Ų135.380%0.80177%0.774SS**  trans66.1173.8147.6-97.276.4000117.2
148P49.5Very low35.2Very low101 Ų101136.5 Ų136.566%0.65678%0.779SS**  cis-133.2148.38.937.4-19.2000119
149K31.2Very low35.6Very low200 Ų200135.4 Ų135.487%0.8778%0.782SS**  trans63.2159.9145.7-62.1169.6-177.4176.70117.2
150A31.8Very low35.7Very low99 Ų99132.3 Ų132.382%0.81879%0.786SS**  cis-136.4-178.65.400000112.5
151Q39Very low36.1Very low197 Ų197135.5 Ų135.592%0.92180%0.795SS**  trans-93.4145.9179.4-61.3164-33.100112.2
152A30.5Very low35.9Very low98 Ų98133 Ų13381%0.8179%0.785SS**  trans-159.1111155.200000111.6
153T46.8Very low36.7Very low144 Ų144138.9 Ų138.988%0.88380%0.795SS**  trans-105.6106.1171.751.10000110.7
154S34Very low37.2Very low100 Ų100140.8 Ų140.870%0.69980%0.795SS**  trans-110.590.8176.150.10000112.2I156S154-I156 PolarHBondContact O-N 3.33Å; S154-I156 VanDerWaalsContact O-N 3.1Å
155V36.3Very low37.8Very low124 Ų124140.7 Ų140.775%0.75279%0.788SS**  trans-78.290.5170.3179.20000109.3R157V155-R157 HydrophobicContact CG1-CG 4.39Å; V155-R157 PolarHBondContact O-N 2.94Å; V155-R157 VanDerWaalsContact O-N 3.17Å
156I33.2Very low38.2Very low126 Ų126142 Ų14265%0.64679%0.787SS**  trans-81.496.5176.7-58.4-179.5000109.9S154 H158S154-I156 PolarHBondContact O-N 3.33Å; S154-I156 VanDerWaalsContact O-N 3.1Å; I156-H158 VanDerWaalsContact CG2-CD2 3.43Å; I156-H158 WeakPolarHBondContact CG2-CD2 3.33Å; I156-H158 VanDerWaalsContact CG2-NE2 3.31Å; I156-H158 WeakPolarHBondContact CG2-NE2 3.17Å
157R36.8Very low39.2Very low210 Ų210140.1 Ų140.179%0.79278%0.781SS**  trans-88.4107.2162.1-74.2178.5176.4144-3.4109.2V155 T159V155-R157 HydrophobicContact CG1-CG 4.39Å; V155-R157 PolarHBondContact O-N 2.94Å; V155-R157 VanDerWaalsContact O-N 3.17Å; R157-T159 PolarHBondContact O-N 3.15Å
158H34.4Very low39.7Very low180 Ų180142.8 Ų142.883%0.83379%0.79SS**  trans-8597.2162.4-76-66.5000110.2I156I156-H158 VanDerWaalsContact CG2-CD2 3.43Å; I156-H158 WeakPolarHBondContact CG2-CD2 3.33Å; I156-H158 VanDerWaalsContact CG2-NE2 3.31Å; I156-H158 WeakPolarHBondContact CG2-NE2 3.17Å
159T41.1Very low39.9Very low116 Ų116143.1 Ų143.171%0.71279%0.794SS**  trans-124.4140.1165.345.10000108.7R157R157-T159 PolarHBondContact O-N 3.15Å
160A35Very low40.4Very low93 Ų93136.4 Ų136.477%0.76977%0.772SS**  trans68.2108-174.500000115.4
161D34.8Very low41.1Very low173 Ų173137.9 Ų137.993%0.92577%0.773SS**  -12993.5128.7-108.9-45000107
162A41.3Very low41.4Very low78 Ų78134.5 Ų134.565%0.64577%0.766SS**  trans-151.195.9174.300000106.1L164A162-L164 PolarHBondContact O-N 3.24Å
163Q43.4Very low41.8Very low191 Ų191139.4 Ų139.489%0.89377%0.769SS**  trans-59.2133.6179.1-71.2-173.7-14.700110C165Q163-C165 PolarHBondContact O-N 3.23Å
164L39.6Very low41.2Very low163 Ų163137.4 Ų137.485%0.85377%0.767SS**  trans-70.3120.1172.7-7776.4000108.3A162 N166A162-L164 PolarHBondContact O-N 3.24Å; L164-N166 PolarHBondContact O-N 3.42Å; L164-N166 VanDerWaalsContact O-N 3.11Å
165C45.7Very low41.2Very low82 Ų82137.6 Ų137.655%0.55477%0.774SS**  trans-66.4109.1172.155.30000110Q163 H167Q163-C165 PolarHBondContact O-N 3.23Å; C165-H167 PolarHBondContact O-N 3.44Å; C165-H167 VanDerWaalsContact O-N 3.1Å
166N48.3Very low41.2Very low166 Ų166137.1 Ų137.189%0.88878%0.777SS**  trans-8945.2-176.4-152.726000112.6L164L164-N166 PolarHBondContact O-N 3.42Å; L164-N166 VanDerWaalsContact O-N 3.11Å
167H55.1Low41.3Very low148 Ų148138.6 Ų138.669%0.68578%0.784SS**  trans-105136.3175.7-78.7-82.5000111.1C165 S169C165-H167 PolarHBondContact O-N 3.44Å; C165-H167 VanDerWaalsContact O-N 3.1Å; H167-S169 PolarHBondContact O-N 2.87Å
168Q45.1Very low41.1Very low210 Ų210135.5 Ų135.598%0.98178%0.783SS**THydrogen-bonded Turntrans-73.416.5-172.8-157.7166.8-300114.6
169S54.1Low40.9Very low107 Ų107133.5 Ų133.575%0.74878%0.778SS**THydrogen-bonded Turntrans-13918.7-173.2520000113.8H167H167-S169 PolarHBondContact O-N 2.87Å
170C43.1Very low40.2Very low60 Ų60138.6 Ų138.641%0.40579%0.786SS.*  trans-86.2121.6177.2-171.60000112.3V172C170-V172 VanDerWaalsContact C-N 3.27Å; C170-V172 PolarHBondContact O-N 2.84Å
171P46Very low40Very low130 Ų130142.4 Ų142.484%0.84479%0.788SS**SBendtrans-82.228.5-164.334.2-38.9000115.9
172V45.5Very low39.8Very low125 Ų125139.4 Ų139.476%0.75877%0.772SS**  trans-11639.4-172.2-158.40000112.5C170C170-V172 VanDerWaalsContact C-N 3.27Å; C170-V172 PolarHBondContact O-N 2.84Å
173K38.7Very low39.2Very low201 Ų201141.8 Ų141.887%0.87477%0.774SS**  trans-14161.5-180-108.7-173.4178.8-178.40113.7
174A34.3Very low38.5Very low103 Ų103138 Ų13885%0.85177%0.768SS**SBendtrans-15664.8172.300000113.9
175A34.5Very low38.2Very low103 Ų103139.6 Ų139.685%0.85177%0.768SS**SBendtrans169.564.5154.800000112.9
176S34.4Very low37.4Very low115 Ų115147.5 Ų147.580%0.80479%0.787SS**  trans-155.239.2175.765.90000115
177I35.4Very low36.7Very low156 Ų156150.4 Ų150.480%0.879%0.785SS**  trans-141.9118.4162.2-41.6178.3000102.3
178L32.8Very low35.5Very low146 Ų146154 Ų15476%0.76479%0.793SS**SBend-140.7174.551.4-80.4161.3000114.1
179N29.8Very low34.7Very low138 Ų138149.5 Ų149.574%0.73878%0.78SS**  trans66.578.9156.8-62.8-6.7000118.6
180Y27.4Very low33.7Very low222 Ų222151.9 Ų151.987%0.87178%0.779SS**  trans-89.1102.6136.7-173-80.7000107.7
181Q31.4Very low33Very low174 Ų174156.5 Ų156.581%0.81380%0.799SS**  trans-145.4157167.6-101.1-62.4-0.500109.1
182D30.1Very low32.2Very low109 Ų109155.6 Ų155.658%0.58379%0.791SS**  trans-114.4155.4-143-164.821.8000115.9
183N28.5Very low31.5Very low128 Ų128156.5 Ų156.568%0.68480%0.796SS**  trans72.4142.2150-103.3-53000123.9
184S28.6Very low31.1Very low111 Ų111155.8 Ų155.878%0.77680%0.796SS**  trans91.2152.1147.883.30000121.4
185F33.6Very low30.9Very low197 Ų197155.7 Ų155.786%0.86480%0.795SS**  trans-89.1150.5-162.6-71.5-106.4000114.3
186R29.8Very low30.6Very low248 Ų248154.9 Ų154.994%0.93679%0.789SS**  -145.2145.7126.3-109.1-178.6-172.7-110.1-0.6112.5
187R32.4Very low30.5Very low228 Ų228160.1 Ų160.186%0.8679%0.791SS**  trans-80.7155.8162.2-50.1179.2-168.1173.63.6107.2
188R30.5Very low30.4Very low224 Ų224161.6 Ų161.685%0.84579%0.791SS**  175.5163.475.8-154.3-176.6-166157.13.7111.3
189T28Very low30.3Very low115 Ų115162.5 Ų162.571%0.70680%0.797SS**  trans5596.5153.232.10000120.6
190H33.8Very low30.4Very low156 Ų156163.2 Ų163.272%0.72280%0.799SS**  14119.6113.5-177.5-78.4000118.5
191L27.2Very low30.9Very low158 Ų158158.2 Ų158.283%0.82779%0.794SS**  trans-157.8158.3130.4-110.9166.8000111.3
192T30.4Very low30.7Very low110 Ų110156.5 Ų156.568%0.67580%0.799SS**  trans-95.1152.8-174.844.90000112.8
193V30.2Very low30.7Very low145 Ų145156.3 Ų156.388%0.87981%0.813SS**  trans-161.3158.7135.8129.30000110.2
194E30Very low30.7Very low186 Ų186155.1 Ų155.187%0.86982%0.821SS**  trans-95.5142.9-170.1-53.9163.910100113.7
195A29.4Very low30.7Very low100 Ų100156.7 Ų156.783%0.82683%0.826SS**  trans-168.8109.3145.800000108.1
196A28.5Very low30.3Very low87 Ų87152.4 Ų152.472%0.71982%0.82SS**  93.9122.356.200000113.9
197R33Very low31Very low225 Ų225146 Ų14685%0.84981%0.811SS**  trans88.2112.9150.9-65.4162.5-176.8-168.10.5120.7
198K32.6Very low30.7Very low186 Ų186141.6 Ų141.681%0.80980%0.804SS**  trans80.9109.3134.5-64175.8-179.7-173.30119.2
199N31.5Very low30.7Very low165 Ų165141.8 Ų141.888%0.88281%0.805SS**  trans-62.4147.7149.3-61.4-61000110.5
200I31.7Very low30.7Very low154 Ų154141.8 Ų141.879%0.7981%0.81SS**  trans-129130.9159.8-62.1179.9000106.5
201P38.5Very low30.5Very low116 Ų116143.9 Ų143.975%0.75382%0.817SS**  trans-79.3160.7-176.433.1-36.1000112.6
202C26.2Very low30.5Very low138 Ų138141.5 Ų141.593%0.93281%0.812SS**  trans-71.6131.3174.2-55.70000111.8
203A30.4Very low30.4Very low105 Ų105144.9 Ų144.987%0.86882%0.82SS**  trans-138.1143.315900000107.9
204A29.5Very low30.3Very low103 Ų103148.4 Ų148.485%0.85182%0.818SS**  trans-104.6127.3-169.300000112.5
205V28.1Very low30.3Very low144 Ų144144 Ų14487%0.87381%0.808SS**  trans-142.7133.3157.7-179.60000109.3
206S25.4Very low30.4Very low108 Ų108144.5 Ų144.576%0.75580%0.8SS**  trans-121.3159.9155.9-77.40000106.1
207P43.1Very low30.4Very low113 Ų113147.2 Ų147.273%0.73481%0.808SS**  cis-147.1-174.527.738.2-16000117.5
208N26.7Very low30.3Very low136 Ų136140.7 Ų140.773%0.72780%0.802SS**  trans86.5129.9138.1-119.4-23000122.4
209R29.8Very low30.1Very low228 Ų228138.8 Ų138.886%0.8680%0.801SS**  trans58.6154.8156.7-78.8-179.5176.2-161.6-2118.3
210S30Very low30.2Very low115 Ų115136.7 Ų136.780%0.80479%0.793SS**  cis-150-178.6-5.128.30000111.6
211K29.4Very low30.4Very low199 Ų199136 Ų13687%0.86579%0.791SS**  trans-74.2175.2-175.4-71.8179.3174.3177.80114.8
212C26.6Very low30.2Very low108 Ų108137.4 Ų137.473%0.7379%0.788SS**  trans87.9147.7168.5-71.70000116.3
213E27.5Very low30.4Very low181 Ų181138.5 Ų138.585%0.84678%0.777SS**  cis-125.4-179.67.7-148.5102.7-115.400113.3
214R29Very low30.4Very low219 Ų219137.6 Ų137.683%0.82677%0.769SS**  trans-122.6159-178.6-176.6-160.7-86.3-156.8-6.9109.4
215S28.9Very low30.5Very low95 Ų95138 Ų13866%0.66477%0.766SS**  trans110.8146.5145.5-53.30000115.5
216T31.4Very low30.5Very low109 Ų109136 Ų13667%0.66977%0.765SS**  cis-173.6150.6-20.430.20000109.6
217V29.5Very low30.7Very low145 Ų145135 Ų13588%0.87976%0.762SS**  trans56.6167.6160.2-57.80000117.2
218A30.2Very low30Very low87 Ų87136.9 Ų136.972%0.71977%0.765SS**  cis-140.2144.13.300000108.9
219D28.8Very low30.1Very low147 Ų147141.4 Ų141.479%0.78677%0.774SS**  70.6109.485.6-127.4-124.7000113.9
220V33Very low30Very low120 Ų120136.6 Ų136.673%0.72777%0.765SS**  85136.31011580000114
221D35.6Very low29.9Very low140 Ų140139.3 Ų139.375%0.74976%0.763SS**  cis-165.9-169.1-17.2-159.1-82.3000109.6
222E35.3Very low29.9Very low146 Ų146134.2 Ų134.268%0.68275%0.752SS**  trans63.2138.8166.7-73.3-158.6116.600119.7
223K31.4Very low30Very low161 Ų161135.3 Ų135.370%0.776%0.756SS**  cis160.7150.57.1162.1170.8168.6-170.60110.5
224A30.4Very low30.8Very low85 Ų85132 Ų13270%0.70275%0.75SS**  trans65155.5156.800000119.7
225S29.7Very low31Very low113 Ų113126.7 Ų126.779%0.7975%0.746SS**  cis-166.5168.2-15.3-103.40000111.5
226A29.6Very low31.3Very low102 Ų102126.4 Ų126.484%0.84374%0.744SS**  trans68.8164.8160.100000118.5
227A29.3Very low31.2Very low85 Ų85129.1 Ų129.170%0.70275%0.749SS**  cis-166.1151.2-39.900000111
228L28.8Very low31.2Very low153 Ų153127.8 Ų127.880%0.80174%0.742SS**  trans20.9125.7152.1-59.7168000120.8
229Y28.3Very low31.1Very low232 Ų232129.7 Ų129.791%0.9174%0.744SS**  -170.7-171.4106.8-107.6-73.6000111.5
230D27.6Very low31Very low127 Ų127130.3 Ų130.368%0.67975%0.746SS**  trans-144.6167.3-136.8-153.8-6.8000116.6
231F27.8Very low30.6Very low171 Ų171130.1 Ų130.175%0.7575%0.749SS**  trans78.5128.6159.7-80.9-70.7000125.8
232S28.6Very low30.1Very low92 Ų92134.8 Ų134.864%0.64376%0.756SS**  90.2112.8128.1-74.70000126
233V28.8Very low29.6Very low132 Ų132133.1 Ų133.180%0.876%0.76SS**  62.5161.6116.5173.10000118.9
234P44.6Very low29.5Very low112 Ų112134.3 Ų134.373%0.72777%0.768SS**  cis-110.2-173.9-6.115.611.3000113.6
235S32.9Very low29.8Very low106 Ų106136 Ų13674%0.74177%0.772SS**  cis75.6143.237.1-141.60000115.2
236S36.3Very low29.7Very low90 Ų90135 Ų13563%0.62977%0.77SS**  cis-132.4-139.96.5-52.20000111.8
237E28.8Very low30.1Very low165 Ų165135.5 Ų135.577%0.77177%0.765SS**  cis-151-1316.1-158.779-75.500113
238T29.9Very low29.9Very low117 Ų117138.6 Ų138.672%0.71878%0.775SS**  trans-151.2170.7-163.164.70000115.5
239V26.6Very low29.8Very low128 Ų128136.6 Ų136.678%0.77677%0.774SS**  trans170118.6130.6154.90000116.4
240I28Very low30.3Very low159 Ų159131.2 Ų131.282%0.81577%0.767SS**  trans31142.4140.6-47.2-175.9000125.3
241C23.5Very low30.3Very low117 Ų117132.6 Ų132.679%0.79177%0.77SS**  trans-74.3165.3-176-34.20000120.2
242R25.9Very low30.3Very low237 Ų237132.2 Ų132.289%0.89477%0.77SS**  -173.8135.4122.1-118.9-176.3172.7129.9-2.5119.5
243S25.2Very low30.1Very low111 Ų111138.1 Ų138.178%0.77678%0.784SS**  trans51.9151.3140.8490000127.2
244Q29.1Very low30Very low186 Ų186137 Ų13787%0.86978%0.782SS**  trans-73.5-179.2178.1-103.2-177.42.600115.7
245P36.4Very low29.1Very low122 Ų122138.4 Ų138.479%0.79279%0.788SS**  cis-144.5-164.131.943.6-21.4000118.3
246A28.8Very low28.7Very low90 Ų90140.8 Ų140.874%0.74479%0.792SS**  trans-118.3169.317900000113
247P37.7Very low28.2Very low114 Ų114142.7 Ų142.774%0.7480%0.799SS**  -156174.7127.635.2-14.1000118.9
248V25.3Very low28Very low150 Ų150139.6 Ų139.691%0.90980%0.796SS**  trans68.6158154.6-72.20000124.1
249S26.4Very low28.5Very low110 Ų110139.8 Ų139.877%0.76980%0.799SS**  trans-144.8158.1179.8173.30000109.1
250P39.3Very low28.9Very low120 Ų120139.5 Ų139.578%0.77980%0.8SS**  -151.2143.5129.735.9-18.2000118.8
251Q27Very low28.9Very low156 Ų156136.4 Ų136.473%0.72980%0.798SS**  trans47.6126.5135.5-62-150-7.300126.1
252Q26.7Very low29.3Very low162 Ų162137.7 Ų137.776%0.75780%0.802SS**  49.7131.8126.3-58.5-172.5-7.200123.1
253K26Very low29.5Very low216 Ų216132.4 Ų132.494%0.93980%0.801SS**  -164165.8111.2-108166.3-173.2174.90113.2
254S25.6Very low29.9Very low108 Ų108131.8 Ų131.876%0.75580%0.803SS**  trans-131.5145.7-169.655.20000112.6
255V24.9Very low30Very low142 Ų142127 Ų12786%0.86180%0.804SS**  trans-139.6148.1162.8-1770000108.9
256L25.9Very low29.7Very low157 Ų157125 Ų12582%0.82281%0.805SS**  trans-136.1125.6-172-174.4163.2000109.3
257V24.8Very low30.1Very low129 Ų129127.1 Ų127.178%0.78281%0.809SS**  trans-143.4144.6174.1-177.80000109.7
258S25.8Very low30Very low101 Ų101126.9 Ų126.971%0.70681%0.807SS**  trans-154.7175.1171.7-57.70000108.7
259P40Very low30.7Very low120 Ų120125.6 Ų125.678%0.77980%0.802SS**  -123.6-170.6-84.239.1-23.8000111.7
260P34.3Very low31Very low123 Ų123128.2 Ų128.280%0.79980%0.804SS**  trans-133.5144.4155.236.2-22.8000116.6
261A28.9Very low30.9Very low93 Ų93127.6 Ų127.677%0.76980%0.8SS**  trans51.190.1143.400000122
262V32.3Very low31.3Very low144 Ų144126.3 Ų126.387%0.87380%0.802SS**  18.6130.8123.9-174.90000119.9
263S28.7Very low31.6Very low126 Ų126126 Ų12688%0.88181%0.805SS**  trans-141.5162.7136-1670000110
264A33.4Very low32Very low99 Ų99120.6 Ų120.682%0.81879%0.793SS**  trans-114.5154.2-158.200000115.5
265G32.1Very low32.3Very low86 Ų86124 Ų12489%0.88780%0.797SS**  trans150.691.9168.300000114.2
266G30.9Very low32.6Very low79 Ų79125.7 Ų125.781%0.81480%0.797SS**  trans-173.4138.2176.800000113.8
267V35.7Very low33Very low135 Ų135123.9 Ų123.982%0.81879%0.793SS**PPolyproline II helixtrans-72.5138.9179.5-179.90000110.2
268P36.7Very low33.4Very low109 Ų109123.5 Ų123.571%0.70879%0.793SS**PPolyproline II helixtrans-66.6135.8176.627.2-35.2000111.7
269P39.8Very low33.8Very low123 Ų123126.2 Ų126.280%0.79980%0.798SS**PPolyproline II helixtrans-71.8140.6176.629.4-34.1000111.7
270M33.4Very low33.6Very low164 Ų164126.5 Ų126.581%0.80880%0.8SS**PPolyproline II helixtrans-66.6148.1172.7-74.8-9186.900111.6
271P35.4Very low33.8Very low107 Ų107125.6 Ų125.670%0.69580%0.803SS**PPolyproline II helixtrans-70131.8-178.828.6-34.6000112.1
272V36.4Very low34.1Very low129 Ų129126.1 Ų126.178%0.78280%0.801SS**PPolyproline II helixtrans-82.8123.7171.8178.50000109.3C274V272-C274 PolarHBondContact O-N 3.13Å
273I33.2Very low34.1Very low157 Ų157126.8 Ų126.881%0.80580%0.8SS**  trans-86.3107176.2-59.1174.6000109.1
274C34.6Very low34.6Very low102 Ų102126.5 Ų126.569%0.68980%0.795SS**PPolyproline II helixtrans-91.1126174.7-640000111V272V272-C274 PolarHBondContact O-N 3.13Å
275Q31.2Very low34.6Very low180 Ų180128.2 Ų128.284%0.84180%0.795SS**PPolyproline II helixtrans-95.4138.9163.8-71.2-173.7-12.300110
276M32Very low34.5Very low177 Ų177130.6 Ų130.687%0.87279%0.792SS**PPolyproline II helixtrans-96.3137.7172.5-68.8-168.9177.300110.9
277V34.1Very low34.5Very low119 Ų119132.6 Ų132.672%0.72179%0.789SS**  trans-131.8114.7171.9-179.30000108.2
278P32.9Very low34.1Very low121 Ų121131.7 Ų131.779%0.78678%0.784SS**  trans-77.1139.1176.1-12.428.4000111.8
279L34.9Very low33.7Very low157 Ų157133.2 Ų133.282%0.82279%0.791SS**  trans-137.9150.7164.6-76.6179.1000110
280P33.8Very low33.3Very low127 Ų127132.8 Ų132.883%0.82579%0.785SS**  trans-75.5154.3-16730.2-36.2000113.8
281A39.6Very low33.2Very low104 Ų104130.2 Ų130.286%0.8678%0.781SS**  trans-96.6131.7-172.100000113.7
282S34.3Very low32.8Very low104 Ų104131 Ų13173%0.72779%0.789SS**  trans-156.7114.6158.662.30000112.3
283N33.9Very low32.8Very low157 Ų157130.7 Ų130.784%0.8479%0.788SS**  trans65.4132167.3-62.6-42.6000119.6
284P39.2Very low32.7Very low120 Ų120129 Ų12978%0.77979%0.787SS**  trans-95.2133.4174.635.7-31.1000112.9
285V31.9Very low33Very low135 Ų135130.2 Ų130.282%0.81879%0.794SS**  trans-133.9127.2157.3178.80000107.7
286V31.3Very low33Very low136 Ų136126.8 Ų126.882%0.82479%0.789SS**  trans-100.6120.6178.1177.10000109.1
287T29.7Very low33.2Very low121 Ų121127.4 Ų127.474%0.74279%0.79SS**  trans-132.7133.5161.8-44.40000109.4
288T28Very low33.2Very low117 Ų117127.2 Ų127.272%0.71879%0.791SS**  trans-72.4151.3-177.144.80000112.6
289V27.8Very low33.2Very low140 Ų140127.2 Ų127.285%0.84879%0.791SS**  trans-125.2118.3160.7-1790000107.6
290V30.9Very low33Very low114 Ų114124.1 Ų124.169%0.69179%0.788SS**  trans-78.6134.5-179.8177.50000109.7S292V290-S292 PolarHBondContact O-N 2.89Å
291P32.7Very low33Very low111 Ų111124.8 Ų124.872%0.72179%0.79SS**  trans-68.3120.6174.3-18.832.1000111.9T293P291-T293 PolarHBondContact O-N 3.42Å
292S27.4Very low32.7Very low122 Ų122125 Ų12585%0.85378%0.784SS**  trans-95.985.9175-67.30000111.3V290V290-S292 PolarHBondContact O-N 2.89Å
293T34.9Very low32.7Very low124 Ų124125.3 Ų125.376%0.76178%0.783SS**  trans-131.7152167.939.80000111.5P291P291-T293 PolarHBondContact O-N 3.42Å
294P31.7Very low32.9Very low121 Ų121123.4 Ų123.479%0.78678%0.78SS**  trans-73.4161.8-164.5-18.433.9000115
295P40.6Very low32.9Very low128 Ų128123.7 Ų123.783%0.83178%0.779SS**  trans-92.8115.5-169.134.1-33.1000114.2
296S32.1Very low33Very low107 Ų107122.4 Ų122.475%0.74877%0.771SS**  trans-171.673.8155.157.60000114.4
297Q35Very low33.2Very low190 Ų190125.1 Ų125.189%0.88877%0.772SS**  trans166.9154.2145.3-96.6174.9-44.700110.9
298P35.2Very low33.5Very low116 Ų116128 Ų12875%0.75378%0.779SS**PPolyproline II helixtrans-73.3146.217531.1-34.5000111.6
299P32.7Very low33.9Very low121 Ų121125.1 Ų125.179%0.78677%0.773SS**PPolyproline II helixtrans-74.6128.4-179.229.7-34.1000111.9V301P299-V301 PolarHBondContact O-N 3.08Å
300A31.4Very low34.6Very low91 Ų91124.8 Ų124.875%0.75277%0.772SS**PPolyproline II helixtrans-72.4123.8168.100000110.2C302A300-C302 PolarHBondContact O-N 3.08Å
301V32.3Very low35.2Very low142 Ų142128.4 Ų128.486%0.86178%0.781SS**  trans-73.8111179.3179.80000109.7P299P299-V301 PolarHBondContact O-N 3.08Å
302C33.6Very low35.6Very low109 Ų109128.9 Ų128.974%0.73678%0.782SS**PPolyproline II helixtrans-82.9134.4168.5-630000109.6A300A300-C302 PolarHBondContact O-N 3.08Å
303P35.3Very low36.3Very low109 Ų109128.2 Ų128.271%0.70878%0.775SS**PPolyproline II helixtrans-70.5148.617629.9-34.7000111.3
304P36.5Very low36.6Very low118 Ų118132.8 Ų132.877%0.76678%0.784SS**PPolyproline II helixtrans-71.1130.7177.929.1-34000111.4V306P304-V306 PolarHBondContact O-N 3.45Å
305V39.4Very low37.4Very low125 Ų125130.7 Ų130.776%0.75878%0.784SS**PPolyproline II helixtrans-77.2116.6172.7178.20000109.4F307V305-F307 HydrophobicContact CG1-CE2 4.42Å
306V34.1Very low37.3Very low109 Ų109128.2 Ų128.266%0.66178%0.775SS**  trans-84.4113.8175.7-179.80000109.7P304 M308P304-V306 PolarHBondContact O-N 3.45Å; V306-M308 HydrophobicContact CG1-CE 4.39Å; V306-M308 HydrophobicContact CG1-CG 4.39Å; V306-M308 PolarHBondContact O-N 3.07Å
307F35.8Very low37.9Very low193 Ų193128.7 Ų128.785%0.84677%0.773SS**  trans-77.6102.3168.6-82.5-89.7000110.4V305 G309V305-F307 HydrophobicContact CG1-CE2 4.42Å; F307-G309 PolarHBondContact O-N 2.98Å
308M36.9Very low37.9Very low180 Ų180127 Ų12789%0.88777%0.766SS**  trans-82.7103.9165.1-72.6-66.7-169.100109.4V306V306-M308 HydrophobicContact CG1-CE 4.39Å; V306-M308 HydrophobicContact CG1-CG 4.39Å; V306-M308 PolarHBondContact O-N 3.07Å
309G36.6Very low37.8Very low58 Ų58130.1 Ų130.160%0.59877%0.768SS**SBendtrans165.2116.2174.600000114.6F307F307-G309 PolarHBondContact O-N 2.98Å
310T42.1Very low38.2Very low133 Ų133130.5 Ų130.582%0.81677%0.768SS**SBendtrans44.394.5157.3570000118.9V312T310-V312 PolarHBondContact O-N 3.4Å
311Q43.5Very low38.5Very low189 Ų189131.6 Ų131.688%0.88377%0.765SS**  trans40.176.7139.1-64.2-72.380.100117.5
312V41.1Very low38.7Very low122 Ų122130.1 Ų130.174%0.73976%0.759SS**  trans-77.6127.3168.2-176.10000110.3T310T310-V312 PolarHBondContact O-N 3.4Å
313P41.3Very low38.7Very low108 Ų108133.2 Ų133.270%0.70176%0.762SS**  trans-62.6136173.3-22.834.2000112.3G315P313-G315 PolarHBondContact O-N 3.11Å; P313-G315 VanDerWaalsContact O-N 3.14Å
314K40.7Very low38.6Very low220 Ų220133.6 Ų133.696%0.95777%0.765SS**THydrogen-bonded Turntrans-64113.1177.6-68.5178.4178.6176.50110.4
315G49.8Very low38.4Very low77 Ų77134.2 Ų134.279%0.79477%0.766SS**THydrogen-bonded Turntrans147.3-12.1170.600000117P313P313-G315 PolarHBondContact O-N 3.11Å; P313-G315 VanDerWaalsContact O-N 3.14Å
316A38.8Very low38Very low76 Ų76134.3 Ų134.363%0.62877%0.767SS**  trans-79126-178.900000113.1
317V42.8Very low38Very low117 Ų117137.6 Ų137.671%0.70978%0.775SS**  trans-102.9117168.8-179.90000108.9F319V317-F319 HydrophobicContact CG1-CD2 3.99Å; V317-F319 HydrophobicContact CG1-CE2 3.68Å
318M35.3Very low37.7Very low153 Ų153133.7 Ų133.775%0.75477%0.772SS**  trans-91.8112.2-179.3-67.1-67.7-75.600111
319F34.8Very low37.5Very low182 Ų182131 Ų13180%0.79877%0.771SS**  trans-97.3109.2168.4-83.3-85.3000110.6V317V317-F319 HydrophobicContact CG1-CD2 3.99Å; V317-F319 HydrophobicContact CG1-CE2 3.68Å
320V39.5Very low37.3Very low129 Ų129137 Ų13778%0.78278%0.78SS**  trans-86111.9168.9-179.50000108.4
321V37.4Very low36.8Very low114 Ų114135.9 Ų135.969%0.69178%0.775SS**  trans-103.9110.9173.7-179.40000108.7Q323V321-Q323 PolarHBondContact O-N 2.9Å
322P37.2Very low36.3Very low111 Ų111132.7 Ų132.772%0.72177%0.771SS**  trans-66.9115.8174.7-18.131.7000110.3
323Q33.3Very low35.8Very low174 Ų174133.6 Ų133.681%0.81378%0.776SS**  trans-79.7128.4164.4-68.9-165.88.100109.3V321 V325V321-Q323 PolarHBondContact O-N 2.9Å; Q323-V325 PolarHBondContact O-N 2.87Å; Q323-V325 VanDerWaalsContact O-N 3.08Å
324P33.6Very low35.6Very low118 Ų118134.5 Ų134.577%0.76678%0.779SS**  trans-72.1104.1173.828.9-32.5000109.6V326P324-V326 PolarHBondContact O-N 3.48Å
325V32.4Very low35.1Very low130 Ų130129 Ų12979%0.78877%0.769SS**  trans-66.399.5167.1179.20000107.8Q323 Q327Q323-V325 PolarHBondContact O-N 2.87Å; Q323-V325 VanDerWaalsContact O-N 3.08Å; V325-Q327 PolarHBondContact O-N 3.22Å
326V31.8Very low34.7Very low128 Ų128130.3 Ų130.378%0.77676%0.763SS**  trans-6898.7175.5179.60000108.3P324 S328P324-V326 PolarHBondContact O-N 3.48Å; V326-S328 PolarHBondContact O-N 3.04Å; V326-S328 VanDerWaalsContact O-N 3.09Å
327Q33.1Very low34.6Very low178 Ų178134.1 Ų134.183%0.83277%0.773SS**  trans-62.9109.8171.1-70.7-175.9-15.100109.1V325 S329V325-Q327 PolarHBondContact O-N 3.22Å; Q327-S329 PolarHBondContact O-N 3.44Å
328S29Very low34.8Very low111 Ų111132.6 Ų132.678%0.77678%0.781SS**  trans-68.9109.9172.645.40000109.4V326 K330V326-S328 PolarHBondContact O-N 3.04Å; V326-S328 VanDerWaalsContact O-N 3.09Å; S328-K330 VanDerWaalsContact C-N 3.34Å; S328-K330 PolarHBondContact O-N 2.89Å
329S34Very low34.8Very low123 Ų123130.9 Ų130.986%0.8678%0.779SS**  trans-73.680.3-175.944.50000112.6Q327Q327-S329 PolarHBondContact O-N 3.44Å
330K31.9Very low34.9Very low185 Ų185132.7 Ų132.780%0.80478%0.781SS**  trans-149.1117.1162.3-150.3157.9-170.3171.20112.2S328S328-K330 VanDerWaalsContact C-N 3.34Å; S328-K330 PolarHBondContact O-N 2.89Å
331P31.3Very low34.6Very low108 Ų108133.9 Ų133.970%0.70178%0.782SS**  trans-71.1149.2175.230.5-34.5000110.7V333P331-V333 PolarHBondContact O-N 2.93Å
332P33.4Very low34.5Very low122 Ų122132.1 Ų132.179%0.79278%0.775SS**  trans-69.4129170.829.5-33.1000110V334P332-V334 PolarHBondContact O-N 3.28Å
333V30.9Very low34.6Very low141 Ų141133 Ų13386%0.85578%0.781SS**  trans-76.8108.8171.1175.70000108.3P331 S335P331-V333 PolarHBondContact O-N 2.93Å; V333-S335 PolarHBondContact O-N 2.89Å
334V37.1Very low34.9Very low127 Ų127132.4 Ų132.477%0.7778%0.781SS**  trans-71.5119.5165.5177.20000107.8P332P332-V334 PolarHBondContact O-N 3.28Å
335S30.1Very low35Very low106 Ų106130.9 Ų130.974%0.74178%0.779SS**  trans-100.8114172.7-172.20000109.5V333 N337V333-S335 PolarHBondContact O-N 2.89Å; S335-N337 PolarHBondContact O-N 3.41Å
336P41.8Very low35.4Very low103 Ų103130.7 Ų130.767%0.66978%0.78SS**  trans-84104.6176.731.9-31.1000110.3
337N36.4Very low35.7Very low156 Ų156129 Ų12983%0.83478%0.779SS**  trans-179.7128.9135-90.8-25.9000110.3S335 T339S335-N337 PolarHBondContact O-N 3.41Å; N337-T339 PolarHBondContact O-N 3.36Å
338G46.3Very low36.3Very low85 Ų85126.9 Ų126.988%0.87678%0.781SS**  trans-90.2103.7-176.900000113
339T36.3Very low37Very low118 Ų118124.8 Ų124.872%0.72478%0.777SS**  trans-125.8102.9163.1-51.20000109.6N337 L341N337-T339 PolarHBondContact O-N 3.36Å; T339-L341 HydrophobicContact CG2-CG 4.32Å; T339-L341 PolarHBondContact O-N 2.92Å
340R36.5Very low37.3Very low219 Ų219128.9 Ų128.983%0.82678%0.78SS**  trans-78.785.8-176.5-176.4-169.9-179.6-83.57111.2
341L31.9Very low37.8Very low155 Ų155125.7 Ų125.781%0.81278%0.781SS**PPolyproline II helixtrans-90.6119.4167.2-62.3-178.7000110.1T339T339-L341 HydrophobicContact CG2-CG 4.32Å; T339-L341 PolarHBondContact O-N 2.92Å
342S35.3Very low38.2Very low76 Ų76126.4 Ų126.453%0.53179%0.786SS.*PPolyproline II helixtrans-67.2150.9174.2-62.90000111I344S342-I344 PolarHBondContact O-N 3.35Å
343P39.5Very low38.4Very low131 Ų131126.1 Ų126.185%0.85179%0.786SS**PPolyproline II helixtrans-59.5122.1171-21.433.2000110.9A345P343-A345 PolarHBondContact O-N 2.64Å
344I40Very low39.2Very low161 Ų161124 Ų12483%0.82678%0.784SS**PPolyproline II helixtrans-70.3126.9168.5-64.5170.8000107.3S342S342-I344 PolarHBondContact O-N 3.35Å
345A36Very low39.4Very low86 Ų86122 Ų12271%0.71178%0.781SS**PPolyproline II helixtrans-65131.917900000110.6P343P343-A345 PolarHBondContact O-N 2.64Å
346P40.3Very low40.1Very low125 Ų125126.6 Ų126.681%0.81279%0.787SS**PPolyproline II helixtrans-62.4136.2172.2-21.233.1000111
347A39Very low40Very low92 Ų92127.7 Ų127.776%0.7679%0.791SS**PPolyproline II helixtrans-65.4136.5174.500000110.8
348P45.2Very low40.3Very low135 Ų135126 Ų12688%0.87779%0.787SS**SBendtrans-72.2128.9175.429.9-33.2000110.1
349G44.9Very low40.1Very low67 Ų67126.9 Ų126.969%0.69178%0.777SS**  trans173.1-24.8176.700000117.4
350F38.9Very low40.5Very low209 Ų209129.9 Ų129.992%0.91778%0.783SS**  trans-123.9111.9-176.1-68.3-77000113
351S42.8Very low41Very low117 Ų117125.7 Ų125.782%0.81878%0.776SS**  trans-66.4127.6169.1-53.40000110.1S353S351-S353 PolarHBondContact O-N 3.16Å
352P39.6Very low41.7Very low124 Ų124121.7 Ų121.781%0.80576%0.755SS**  trans-68.9104.7172.727.7-32.5000109.3
353S38.2Very low42.8Very low116 Ų116122.6 Ų122.681%0.81176%0.762SS**  trans-52.1142.7169.1-176.30000109.8S351 A355S351-S353 PolarHBondContact O-N 3.16Å; S353-A355 PolarHBondContact O-N 3.01Å
354A47Very low43.6Very low96 Ų96121.5 Ų121.579%0.79376%0.757SS**  trans-58.689.1-161.500000113.4K356A354-K356 PolarHBondContact O-N 3.42Å
355A42.4Very low44.4Very low86 Ų86123.9 Ų123.971%0.71176%0.756SS**  trans-60.3104171.600000107.9S353 V357S353-A355 PolarHBondContact O-N 3.01Å; A355-V357 VanDerWaalsContact C-N 3.34Å; A355-V357 PolarHBondContact O-N 2.66Å
356K44.8Very low45.6Very low202 Ų202122.7 Ų122.788%0.87874%0.736SS**  trans-62.994.4-175.7-173.1173.9-173171.30109A354 T358A354-K356 PolarHBondContact O-N 3.42Å; K356-T358 PolarHBondContact O-N 3.1Å
357V38Very low46.6Very low125 Ų125126.7 Ų126.776%0.75874%0.735SS**  trans-53.7103.7-178.8176.80000108.3A355 P359A355-V357 VanDerWaalsContact C-N 3.34Å; A355-V357 PolarHBondContact O-N 2.66Å; V357-P359 WeakPolarHBondContact O-CD 3.38Å; V357-P359 VanDerWaalsContact O-N 3.16Å
358T44.2Very low48.5Very low122 Ų122125.3 Ų125.375%0.74872%0.72SS**  trans-58.6118.3162.546.90000105.7K356 Q360K356-T358 PolarHBondContact O-N 3.1Å; T358-Q360 PolarHBondContact O-N 2.88Å; T358-Q360 VanDerWaalsContact O-N 3.13Å
359P41.3Very low50.4Low102 Ų102121.6 Ų121.666%0.66269%0.691SS**  trans-57.5127-177.923.6-33.1000107.8V357 I361V357-P359 WeakPolarHBondContact O-CD 3.38Å; V357-P359 VanDerWaalsContact O-N 3.16Å; P359-I361 WeakPolarHBondContact O-CG1 3.16Å; P359-I361 PolarHBondContact O-N 3.48Å
360Q44.8Very low52.3Low182 Ų182123.1 Ų123.185%0.8568%0.682SS**  trans-56.2106.3170.2-78.4-749.500106.8T358 D362T358-Q360 PolarHBondContact O-N 2.88Å; T358-Q360 VanDerWaalsContact O-N 3.13Å; Q360-D362 PolarHBondContact O-N 2.85Å
361I48Very low54.7Low130 Ų130113.5 Ų113.567%0.66764%0.641SS**  trans-75.285.5178.9-56.9-178.3000105.9P359 S363 I366P359-I361 WeakPolarHBondContact O-CG1 3.16Å; P359-I361 PolarHBondContact O-N 3.48Å; I361-S363 PolarHBondContact O-N 3.33Å; I361-I366 HydrophobicContact CG2-CD1 4.38Å; I361-I366 HydrophobicContact CG2-CG1 4.42Å
362D46.7Very low56.8Low72 Ų72113.7 Ų113.739%0.38564%0.642SS.*  trans-47.6108.9170.8167.526.7000109.1Q360 S364 R365Q360-D362 PolarHBondContact O-N 2.85Å; D362-S364 PolarHBondContact O-N 3.47Å; D362-S364 VanDerWaalsContact O-N 3.08Å; D362-S364 WeakPolarHBondContact OD1-CB 3.3Å; D362-S364 PolarHBondContact OD1-N 2.85Å; D362-S364 PolarHBondContact OD1-OG 3.4Å; D362-R365 HydrophobicContact CB-CB 4.48Å; D362-R365 WeakPolarHBondContact O-CB 3.28Å; D362-R365 PolarHBondContact O-N 3.35Å
363S57.8Low58.9Low95 Ų95111.8 Ų111.866%0.66462%0.623SS**G310 helixtrans-56.8-24.8179.9-63.50000112.1I361 R365 I366I361-S363 PolarHBondContact O-N 3.33Å; S363-R365 PolarHBondContact O-N 3.46Å; S363-I366 WeakPolarHBondContact O-CB 3.47Å; S363-I366 PolarHBondContact O-N 3.44Å
364S56.9Low61.1Low107 Ų107111.5 Ų111.575%0.74862%0.618SS**G310 helixtrans-67.4-23.3175.4-310000112.7D362D362-S364 PolarHBondContact O-N 3.47Å; D362-S364 VanDerWaalsContact O-N 3.08Å; D362-S364 WeakPolarHBondContact OD1-CB 3.3Å; D362-S364 PolarHBondContact OD1-N 2.85Å; D362-S364 PolarHBondContact OD1-OG 3.4Å
365R55.2Low62.8Low212 Ų212111.4 Ų111.480%0.863%0.627SS**G310 helixtrans-88.1-5.1176.3-157.6170.6-64.4-136.7-0.5113.1D362 S363 R367D362-R365 HydrophobicContact CB-CB 4.48Å; D362-R365 WeakPolarHBondContact O-CB 3.28Å; D362-R365 PolarHBondContact O-N 3.35Å; S363-R365 PolarHBondContact O-N 3.46Å; R365-R367 PolarHBondContact O-N 2.87Å
366I62.2Low64.9Low60 Ų60108.3 Ų108.331%0.30860%0.599SS.*  trans-75.696.7174.1-60.3179.6000109I361 S363 S368 F381I361-I366 HydrophobicContact CG2-CD1 4.38Å; I361-I366 HydrophobicContact CG2-CG1 4.42Å; S363-I366 WeakPolarHBondContact O-CB 3.47Å; S363-I366 PolarHBondContact O-N 3.44Å; I366-S368 PolarHBondContact O-N 3.19Å; I366-F381 HydrophobicContact CB-CE2 4.38Å; I366-F381 HydrophobicContact CD1-CE2 4.31Å; I366-F381 HydrophobicContact CG1-CE2 4.07Å; I366-F381 HydrophobicContact CG2-CD2 3.51Å; I366-F381 HydrophobicContact CG2-CE2 3.63Å
367R60.6Low66.6Low209 Ų209101.3 Ų101.379%0.78958%0.584SS**  trans-67.478175.7-172.6176.7-73.8169.9-4.2110.9R365 H369R365-R367 PolarHBondContact O-N 2.87Å; R367-H369 PolarHBondContact O-CD2 3.33Å
368S79.9Confident68.9Low63 Ų63100.4 Ų100.444%0.44157%0.57SS.*  trans-74.9130.5-177.570.60000111.8I366I366-S368 PolarHBondContact O-N 3.19Å
369H84.3Confident71Confident58 Ų5898.7 Ų98.727%0.26956%0.56SS.*EExtended strand (participates in β ladder)trans-95.7105.8179.7-67.7-82.2000109.5R367 Y380 S383 L386R367-H369 PolarHBondContact O-CD2 3.33Å; H369-Y380 WeakPolarHBondContact CB-O 3.38Å; H369-Y380 PolarHBondContact N-O 2.96Å; H369-Y380 PolarHBondContact O-N 3.46Å; H369-S383 PolarHBondContact CD2-N 3.44Å; H369-S383 PolarHBondContact NE2-N 2.98Å; H369-L386 HydrophobicContact CB-CB 3.98Å; H369-L386 HydrophobicContact CB-CD2 3.78Å; H369-L386 HydrophobicContact CB-CG 4.5Å
370I85.3Confident73.2Confident98 Ų9896.5 Ų96.550%0.50354%0.539SS..EExtended strand (participates in β ladder)trans-84.6141.8-178.8-46.6-172.4000110.2S372 T379 L386I370-S372 PolarHBondContact O-N 3.43Å; I370-T379 HydrophobicContact CB-CG2 4.44Å; I370-T379 HydrophobicContact CD1-CG2 4.44Å; I370-T379 HydrophobicContact CG1-CG2 3.94Å; I370-T379 HydrophobicContact CG2-CG2 4.27Å; I370-L386 WeakPolarHBondContact O-CD2 3.43Å
371C89.6Confident75.1Confident7 Ų794.5 Ų94.55%0.04753%0.527CS..  trans-76.5115.8173.4-167.80000112H373 C376 K378 L386C371-H373 PolarHBondContact O-N 3.21Å; C371-H373 VanDerWaalsContact O-N 3.13Å; C371-C376 HydrophobicContact CB-CB 4.47Å; C371-K378 WeakPolarHBondContact CB-O 3.47Å; C371-K378 PolarHBondContact N-O 3.1Å; C371-L386 HydrophobicContact CB-CD1 3.8Å
372S85.6Confident76.9Confident122 Ų12293.7 Ų93.785%0.85352%0.519SS*.  trans-70.94.1177.9-41.70000115I370I370-S372 PolarHBondContact O-N 3.43Å
373H85.1Confident78.7Confident84 Ų8493.8 Ų93.839%0.38953%0.525SS..SBendtrans-80.5131.2180-169.475.2000110.8C371 G375 C376 H393C371-H373 PolarHBondContact O-N 3.21Å; C371-H373 VanDerWaalsContact O-N 3.13Å; H373-G375 PolarHBondContact O-N 3.15Å; H373-C376 HydrophobicContact CB-CB 4.14Å; H373-C376 WeakPolarHBondContact O-CB 3.47Å; H373-C376 PolarHBondContact O-N 3.47Å; H373-C376 VanDerWaalsContact O-N 3.08Å; H373-H393 AromaticContact CD2-CE1 3.18Å; H373-H393 PolarHBondContact CD2-CE1 3.33Å; H373-H393 AromaticContact CD2-CG 3.64Å; H373-H393 AromaticContact CD2-ND1 3.26Å; H373-H393 PolarHBondContact CD2-ND1 3.31Å; H373-H393 VanDerWaalsContact CD2-ND1 3.26Å; H373-H393 AromaticContact CD2-NE2 3.72Å; H373-H393 AromaticContact CE1-CE1 3.93Å; H373-H393 AromaticContact CG-CD2 3.76Å; H373-H393 AromaticContact CG-CE1 3.9Å; H373-H393 AromaticContact CG-CG 3.59Å; H373-H393 AromaticContact CG-ND1 3.72Å; H373-H393 AromaticContact ND1-CG 3.95Å; H373-H393 AromaticContact NE2-CE1 3.18Å; H373-H393 PolarHBondContact NE2-CE1 3.31Å; H373-H393 AromaticContact NE2-CG 3.99Å; H373-H393 AromaticContact NE2-ND1 3.61Å
374P84.1Confident79.9Confident109 Ų10992.5 Ų92.571%0.70852%0.516SS*.THydrogen-bonded Turntrans-50.9137.1179.8-28.936000112.8C376P374-C376 PolarHBondContact O-N 3.37Å; P374-C376 VanDerWaalsContact O-N 3.08Å
375G82.1Confident81.3Confident95 Ų9592.1 Ų92.198%0.97950%0.502SS*.THydrogen-bonded Turntrans67.11.1-179.600000116.1H373H373-G375 PolarHBondContact O-N 3.15Å
376C85.7Confident82.8Confident20 Ų2083.4 Ų83.414%0.13547%0.471CS..THydrogen-bonded Turntrans-87.7-49.3-177-161.70000114.3C371 H373 P374 K378 H389 H393C371-C376 HydrophobicContact CB-CB 4.47Å; H373-C376 HydrophobicContact CB-CB 4.14Å; H373-C376 WeakPolarHBondContact O-CB 3.47Å; H373-C376 PolarHBondContact O-N 3.47Å; H373-C376 VanDerWaalsContact O-N 3.08Å; P374-C376 PolarHBondContact O-N 3.37Å; P374-C376 VanDerWaalsContact O-N 3.08Å; C376-K378 PolarHBondContact O-N 3.03Å; C376-H389 PolarHBondContact SG-NE2 3.12Å; C376-H393 WeakPolarHBondContact CB-NE2 3.23Å; C376-H393 PolarHBondContact SG-NE2 2.91Å
377G81.9Confident83.8Confident55 Ų5587.5 Ų87.557%0.56749%0.487SS*.  trans63.7-4.917400000117.7
378K86.2Confident84.9Confident107 Ų10778.8 Ų78.847%0.46546%0.46SS..  trans-68.1134.3-172.5-68.8172.6-169.8168.40112.4C371 C376 Y380C371-K378 WeakPolarHBondContact CB-O 3.47Å; C371-K378 PolarHBondContact N-O 3.1Å; C376-K378 PolarHBondContact O-N 3.03Å; K378-Y380 HydrophobicContact CB-CE2 3.6Å
379T87Confident85.1Confident85 Ų8576.4 Ų76.452%0.52144%0.442SS..EExtended strand (participates in β ladder)trans-109.3147.1179.666.50000111.4I370I370-T379 HydrophobicContact CB-CG2 4.44Å; I370-T379 HydrophobicContact CD1-CG2 4.44Å; I370-T379 HydrophobicContact CG1-CG2 3.94Å; I370-T379 HydrophobicContact CG2-CG2 4.27Å
380Y87.2Confident85.1Confident57 Ų5776.2 Ų76.222%0.22445%0.445CS..EExtended strand (participates in β ladder)trans-138.3132.1-175-65.2-87.2000111.6H369 K378 K382 H385 L386 H389H369-Y380 WeakPolarHBondContact CB-O 3.38Å; H369-Y380 PolarHBondContact N-O 2.96Å; H369-Y380 PolarHBondContact O-N 3.46Å; K378-Y380 HydrophobicContact CB-CE2 3.6Å; Y380-K382 PolarHBondContact O-N 2.86Å; Y380-H385 HydrophobicContact CD1-CB 3.68Å; Y380-H385 HydrophobicContact CG-CB 4.18Å; Y380-L386 HydrophobicContact CD2-CB 4.16Å; Y380-L386 HydrophobicContact CD2-CD1 4.14Å; Y380-L386 HydrophobicContact CE2-CD1 4.46Å; Y380-L386 HydrophobicContact CG-CB 4.4Å; Y380-H389 HydrophobicContact CE1-CB 4.38Å; Y380-H389 HydrophobicContact CE2-CB 4.06Å; Y380-H389 AromaticContact CE2-CD2 3.24Å; Y380-H389 WeakPolarHBondContact CE2-CD2 3.48Å; Y380-H389 AromaticContact CE2-CG 3.86Å; Y380-H389 AromaticContact CZ-CD2 3.52Å; Y380-H389 AromaticContact CZ-CG 3.69Å; Y380-H389 PolarHBondContact OH-CD2 3Å; Y380-H389 VanDerWaalsContact OH-CG 3.24Å
381F86.1Confident85Confident140 Ų14074.2 Ų74.261%0.61443%0.431SS*.SBendtrans-62.5-26.2175.4-168.3-79.8000113.2I366I366-F381 HydrophobicContact CB-CE2 4.38Å; I366-F381 HydrophobicContact CD1-CE2 4.31Å; I366-F381 HydrophobicContact CG1-CE2 4.07Å; I366-F381 HydrophobicContact CG2-CD2 3.51Å; I366-F381 HydrophobicContact CG2-CE2 3.63Å
382K84.8Confident84.6Confident113 Ų11378 Ų7849%0.49145%0.454SS..SBendtrans-121.6132.3-175.3-59.3-172.9-179.5-177.40111.2Y380 S384 H385 L386Y380-K382 PolarHBondContact O-N 2.86Å; K382-S384 PolarHBondContact O-N 3.33Å; K382-H385 HydrophobicContact CB-CB 4.38Å; K382-H385 WeakPolarHBondContact O-CB 3.46Å; K382-H385 PolarHBondContact O-N 2.94Å; K382-L386 PolarHBondContact O-N 2.97Å; K382-L386 VanDerWaalsContact O-N 3.15Å
383S84.4Confident84.4Confident73 Ų7375.9 Ų75.951%0.5143%0.43SS..Hα-helixtrans-54.8-35.6173.157.40000112.8H369 H385 L386 K387H369-S383 PolarHBondContact CD2-N 3.44Å; H369-S383 PolarHBondContact NE2-N 2.98Å; S383-H385 VanDerWaalsContact C-N 3.32Å; S383-H385 PolarHBondContact O-N 3.34Å; S383-L386 PolarHBondContact O-N 3.33Å; S383-K387 WeakPolarHBondContact O-CB 3.4Å; S383-K387 PolarHBondContact O-N 3.27Å
384S83.9Confident84.1Confident69 Ų6975.9 Ų75.948%0.48344%0.437SS..Hα-helixtrans-63.8-34174.4580000113.2K382 A388K382-S384 PolarHBondContact O-N 3.33Å; S384-A388 VanDerWaalsContact O-CB 3.31Å; S384-A388 WeakPolarHBondContact O-CB 3.31Å; S384-A388 PolarHBondContact O-N 2.83Å
385H85.3Confident83.9Confident98 Ų9872.9 Ų72.945%0.45443%0.425SS..Hα-helixtrans-74.1-40.2175.7-65.2-171.8000110.8Y380 K382 S383 A388 H389Y380-H385 HydrophobicContact CD1-CB 3.68Å; Y380-H385 HydrophobicContact CG-CB 4.18Å; K382-H385 HydrophobicContact CB-CB 4.38Å; K382-H385 WeakPolarHBondContact O-CB 3.46Å; K382-H385 PolarHBondContact O-N 2.94Å; S383-H385 VanDerWaalsContact C-N 3.32Å; S383-H385 PolarHBondContact O-N 3.34Å; H385-A388 PolarHBondContact O-N 2.9Å; H385-H389 WeakPolarHBondContact O-CB 3.42Å; H385-H389 PolarHBondContact O-N 3.33Å
386L86.9Confident83.9Confident29 Ų2973 Ų7315%0.15240%0.4CS..Hα-helixtrans-60.5-47.2171174.459.8000111.1H369 I370 C371 Y380 K382 S383 A388 H389 T390H369-L386 HydrophobicContact CB-CB 3.98Å; H369-L386 HydrophobicContact CB-CD2 3.78Å; H369-L386 HydrophobicContact CB-CG 4.5Å; I370-L386 WeakPolarHBondContact O-CD2 3.43Å; C371-L386 HydrophobicContact CB-CD1 3.8Å; Y380-L386 HydrophobicContact CD2-CB 4.16Å; Y380-L386 HydrophobicContact CD2-CD1 4.14Å; Y380-L386 HydrophobicContact CE2-CD1 4.46Å; Y380-L386 HydrophobicContact CG-CB 4.4Å; K382-L386 PolarHBondContact O-N 2.97Å; K382-L386 VanDerWaalsContact O-N 3.15Å; S383-L386 PolarHBondContact O-N 3.33Å; L386-A388 VanDerWaalsContact C-N 3.28Å; L386-A388 PolarHBondContact O-N 2.95Å; L386-H389 CarbonylContact O-C 3.51Å; L386-H389 WeakPolarHBondContact O-CA 3.44Å; L386-H389 WeakPolarHBondContact O-CB 3.41Å; L386-H389 PolarHBondContact O-N 3.4Å; L386-T390 HydrophobicContact CD1-CG2 4Å; L386-T390 HydrophobicContact CG-CG2 4.37Å; L386-T390 PolarHBondContact O-N 2.9Å
387K84.1Confident83.7Confident146 Ų14678 Ų7864%0.63542%0.42SS*.Hα-helixtrans-65.8-28178.7-169.6171.1-175.5173.30113.3S383 T390S383-K387 WeakPolarHBondContact O-CB 3.4Å; S383-K387 PolarHBondContact O-N 3.27Å; K387-T390 PolarHBondContact O-OG1 3.26Å
388A83Confident83.7Confident27 Ų2778.4 Ų78.422%0.22341%0.412CS..Hα-helixtrans-75.1-27.917000000112.5S384 H385 L386 R412S384-A388 VanDerWaalsContact O-CB 3.31Å; S384-A388 WeakPolarHBondContact O-CB 3.31Å; S384-A388 PolarHBondContact O-N 2.83Å; H385-A388 PolarHBondContact O-N 2.9Å; L386-A388 VanDerWaalsContact C-N 3.28Å; L386-A388 PolarHBondContact O-N 2.95Å; A388-R412 HydrophobicContact CB-CG 4.38Å
389H85.1Confident83.6Confident13 Ų1376.2 Ų76.26%0.0640%0.403CS..Hα-helixtrans-81.6-38.1176.5169.838.2000113.3C376 Y380 H385 L386 R391 T392 H393C376-H389 PolarHBondContact SG-NE2 3.12Å; Y380-H389 HydrophobicContact CE1-CB 4.38Å; Y380-H389 HydrophobicContact CE2-CB 4.06Å; Y380-H389 AromaticContact CE2-CD2 3.24Å; Y380-H389 WeakPolarHBondContact CE2-CD2 3.48Å; Y380-H389 AromaticContact CE2-CG 3.86Å; Y380-H389 AromaticContact CZ-CD2 3.52Å; Y380-H389 AromaticContact CZ-CG 3.69Å; Y380-H389 PolarHBondContact OH-CD2 3Å; Y380-H389 VanDerWaalsContact OH-CG 3.24Å; H385-H389 WeakPolarHBondContact O-CB 3.42Å; H385-H389 PolarHBondContact O-N 3.33Å; L386-H389 CarbonylContact O-C 3.51Å; L386-H389 WeakPolarHBondContact O-CA 3.44Å; L386-H389 WeakPolarHBondContact O-CB 3.41Å; L386-H389 PolarHBondContact O-N 3.4Å; H389-R391 PolarHBondContact O-N 3.18Å; H389-R391 VanDerWaalsContact O-N 3.07Å; H389-T392 PolarHBondContact CE1-OG1 3.45Å; H389-T392 PolarHBondContact ND1-OG1 3.21Å; H389-T392 WeakPolarHBondContact O-CB 3.4Å; H389-T392 PolarHBondContact O-N 2.92Å; H389-T392 PolarHBondContact O-OG1 2.91Å; H389-H393 AromaticContact CE1-CD2 3.94Å; H389-H393 AromaticContact CE1-NE2 3.99Å
390T83.6Confident83.6Confident53 Ų5374.7 Ų74.733%0.32540%0.396SS..Hα-helixtrans-57.8-29.1178.950.70000112.5L386 K387 T392 H393 T394L386-T390 HydrophobicContact CD1-CG2 4Å; L386-T390 HydrophobicContact CG-CG2 4.37Å; L386-T390 PolarHBondContact O-N 2.9Å; K387-T390 PolarHBondContact O-OG1 3.26Å; T390-T392 PolarHBondContact O-N 3.24Å; T390-H393 WeakPolarHBondContact O-CA 3.41Å; T390-H393 WeakPolarHBondContact O-CB 3.37Å; T390-H393 PolarHBondContact O-N 2.72Å; T390-T394 PolarHBondContact O-N 3.18Å; T390-T394 VanDerWaalsContact O-N 3.1Å
391R83.1Confident83.7Confident56 Ų5672.6 Ų72.621%0.21139%0.389CS..Hα-helixtrans-61.6-19.8170.2-65.9-175.7176.5145.82.2115.4H389 G395 E396 A411H389-R391 PolarHBondContact O-N 3.18Å; H389-R391 VanDerWaalsContact O-N 3.07Å; R391-G395 WeakPolarHBondContact O-CA 3.15Å; R391-G395 PolarHBondContact O-N 3.38Å; R391-E396 HydrophobicContact CB-CB 4.23Å; R391-E396 HydrophobicContact CG-CB 4Å; R391-E396 IonicContact NE-OE2 3.61Å; R391-E396 PolarHBondContact O-N 2.8Å; R391-A411 HydrophobicContact CB-CB 4Å; R391-A411 VanDerWaalsContact CD-O 3.3Å; R391-A411 WeakPolarHBondContact CD-O 3.38Å; R391-A411 PolarHBondContact NH1-O 3.46Å; R391-A411 VanDerWaalsContact NH1-O 3.13Å
392T81Confident83.7Confident87 Ų8771.4 Ų71.453%0.53440%0.398SS..Hα-helixtrans-74.1-17.4170.869.70000112.3H389 T390H389-T392 PolarHBondContact CE1-OG1 3.45Å; H389-T392 PolarHBondContact ND1-OG1 3.21Å; H389-T392 WeakPolarHBondContact O-CB 3.4Å; H389-T392 PolarHBondContact O-N 2.92Å; H389-T392 PolarHBondContact O-OG1 2.91Å; T390-T392 PolarHBondContact O-N 3.24Å
393H81.9Confident83.7Confident77 Ų7772.1 Ų72.136%0.35640%0.398SS..Hα-helixtrans-94.4-42.1173.6-57.2-59.3000112H373 C376 H389 T390 G395H373-H393 AromaticContact CD2-CE1 3.18Å; H373-H393 PolarHBondContact CD2-CE1 3.33Å; H373-H393 AromaticContact CD2-CG 3.64Å; H373-H393 AromaticContact CD2-ND1 3.26Å; H373-H393 PolarHBondContact CD2-ND1 3.31Å; H373-H393 VanDerWaalsContact CD2-ND1 3.26Å; H373-H393 AromaticContact CD2-NE2 3.72Å; H373-H393 AromaticContact CE1-CE1 3.93Å; H373-H393 AromaticContact CG-CD2 3.76Å; H373-H393 AromaticContact CG-CE1 3.9Å; H373-H393 AromaticContact CG-CG 3.59Å; H373-H393 AromaticContact CG-ND1 3.72Å; H373-H393 AromaticContact ND1-CG 3.95Å; H373-H393 AromaticContact NE2-CE1 3.18Å; H373-H393 PolarHBondContact NE2-CE1 3.31Å; H373-H393 AromaticContact NE2-CG 3.99Å; H373-H393 AromaticContact NE2-ND1 3.61Å; C376-H393 WeakPolarHBondContact CB-NE2 3.23Å; C376-H393 PolarHBondContact SG-NE2 2.91Å; H389-H393 AromaticContact CE1-CD2 3.94Å; H389-H393 AromaticContact CE1-NE2 3.99Å; T390-H393 WeakPolarHBondContact O-CA 3.41Å; T390-H393 WeakPolarHBondContact O-CB 3.37Å; T390-H393 PolarHBondContact O-N 2.72Å; H393-G395 VanDerWaalsContact C-N 3.26Å; H393-G395 PolarHBondContact O-N 2.94Å
394T79.8Confident83.6Confident85 Ų8578.4 Ų78.452%0.52142%0.416SS..Hα-helixtrans-77.4-10.4176.6650000113.5T390 E396T390-T394 PolarHBondContact O-N 3.18Å; T390-T394 VanDerWaalsContact O-N 3.1Å; T394-E396 WeakPolarHBondContact CB-OE1 3.48Å; T394-E396 PolarHBondContact O-N 2.92Å; T394-E396 VanDerWaalsContact OG1-CD 3.24Å; T394-E396 WeakPolarHBondContact OG1-CG 3.39Å; T394-E396 PolarHBondContact OG1-OE1 3.09Å
395G80Confident83.4Confident45 Ų4579.2 Ų79.246%0.46444%0.436SS..  trans72.20.9-178.600000114.7R391 H393 K397R391-G395 WeakPolarHBondContact O-CA 3.15Å; R391-G395 PolarHBondContact O-N 3.38Å; H393-G395 VanDerWaalsContact C-N 3.26Å; H393-G395 PolarHBondContact O-N 2.94Å; G395-K397 WeakPolarHBondContact O-CG 3.31Å; G395-K397 PolarHBondContact O-N 3.1Å
396E80.6Confident83.5Confident99 Ų9975.5 Ų75.546%0.46342%0.42SS..  trans-56.3121.8-177.4-82.3168.1-12400113R391 T394 P398 A411R391-E396 HydrophobicContact CB-CB 4.23Å; R391-E396 HydrophobicContact CG-CB 4Å; R391-E396 IonicContact NE-OE2 3.61Å; R391-E396 PolarHBondContact O-N 2.8Å; T394-E396 WeakPolarHBondContact CB-OE1 3.48Å; T394-E396 PolarHBondContact O-N 2.92Å; T394-E396 VanDerWaalsContact OG1-CD 3.24Å; T394-E396 WeakPolarHBondContact OG1-CG 3.39Å; T394-E396 PolarHBondContact OG1-OE1 3.09Å; E396-P398 VanDerWaalsContact C-CD 3.42Å; E396-P398 WeakPolarHBondContact O-CD 3.2Å; E396-A411 WeakPolarHBondContact O-CA 3.43Å; E396-A411 WeakPolarHBondContact O-CB 3.41Å
397K82.4Confident83.4Confident124 Ų12482.9 Ų82.954%0.53945%0.454SS..  trans-12268.7177.8-68.6160.3-171171.10111G395 F399 R409 F410G395-K397 WeakPolarHBondContact O-CG 3.31Å; G395-K397 PolarHBondContact O-N 3.1Å; K397-F399 PolarHBondContact O-N 2.77Å; K397-R409 HydrophobicContact CB-CB 3.62Å; K397-F410 CarbonylContact C-O 3.51Å; K397-F410 VanDerWaalsContact C-O 3.3Å; K397-F410 VanDerWaalsContact CA-O 3.29Å; K397-F410 WeakPolarHBondContact CA-O 3.41Å
398P81.5Confident83.5Confident64 Ų6483.5 Ų83.542%0.41645%0.452SS..  trans-67.4-22.3-176.127-34.8000113.6E396 S400E396-P398 VanDerWaalsContact C-CD 3.42Å; E396-P398 WeakPolarHBondContact O-CD 3.2Å; P398-S400 PolarHBondContact O-N 2.92Å
399F83.5Confident83.7Confident61 Ų6189.3 Ų89.327%0.26847%0.469SS..EExtended strand (participates in β ladder)trans-94.390.4-176.1-57-72.6000111.2K397 R409 F410 L416K397-F399 PolarHBondContact O-N 2.77Å; F399-R409 CarbonylContact O-C 3.3Å; F399-R409 WeakPolarHBondContact O-CA 3.38Å; F399-F410 HydrophobicContact CB-CB 4.4Å; F399-F410 WeakPolarHBondContact CB-O 3.42Å; F399-F410 WeakPolarHBondContact CD2-O 3.3Å; F399-F410 PolarHBondContact N-O 2.73Å; F399-F410 VanDerWaalsContact N-O 3.08Å; F399-F410 WeakPolarHBondContact O-CD2 3.39Å; F399-F410 PolarHBondContact O-N 3.3Å; F399-L416 HydrophobicContact CB-CB 4.02Å; F399-L416 HydrophobicContact CB-CD2 3.81Å
400S86.7Confident83.7Confident52 Ų5290.4 Ų90.436%0.36447%0.473SS..EExtended strand (participates in β ladder)trans-77.9147.7171.1430000112.5P398 L416P398-S400 PolarHBondContact O-N 2.92Å; S400-L416 WeakPolarHBondContact O-CD2 3.32Å
401C90.3Very high83.7Confident14 Ų1488.8 Ų88.810%0.09547%0.466CS..  trans-70142165.7-153.20000110C406 R408 L416 H423C401-C406 HydrophobicContact CB-CB 4.46Å; C401-R408 PolarHBondContact N-O 3.13Å; C401-L416 HydrophobicContact CB-CD1 4.03Å; C401-H423 PolarHBondContact SG-NE2 2.93Å
402S85.9Confident83.6Confident115 Ų11590.3 Ų90.380%0.80447%0.471SS*.  trans-101.89.5176.958.70000112.6
403W84.1Confident83.8Confident127 Ų12789.2 Ų89.248%0.48147%0.467SS..SBendtrans-78.3134.1179.4-169.2-87000110.8G405 C406 H423W403-G405 PolarHBondContact O-N 2.79Å; W403-C406 HydrophobicContact CB-CB 4.13Å; W403-C406 PolarHBondContact O-N 2.75Å; W403-H423 AromaticContact CD1-CE1 3.78Å; W403-H423 AromaticContact CD1-CG 3.92Å; W403-H423 AromaticContact CD1-ND1 3.52Å; W403-H423 HydrophobicContact CD2-CB 3.52Å; W403-H423 AromaticContact CD2-CG 3.61Å; W403-H423 AromaticContact CD2-ND1 4Å; W403-H423 AromaticContact CE2-CG 4Å; W403-H423 HydrophobicContact CE3-CB 3.61Å; W403-H423 HydrophobicContact CG-CB 4.07Å; W403-H423 AromaticContact CG-CD2 3.77Å; W403-H423 AromaticContact CG-CE1 3.86Å; W403-H423 AromaticContact CG-CG 3.57Å; W403-H423 AromaticContact CG-ND1 3.64Å; W403-H423 AromaticContact CG-NE2 3.97Å; W403-H423 HydrophobicContact CH2-CB 4.08Å; W403-H423 HydrophobicContact CZ2-CB 4.01Å; W403-H423 HydrophobicContact CZ3-CB 3.89Å; W403-H423 AromaticContact NE1-ND1 3.8Å
404K82.3Confident83.8Confident205 Ų20589.2 Ų89.289%0.89147%0.47SS*.THydrogen-bonded Turntrans-58.1121-178.5-170.5175.1-178.3177.90110.3
405G81.4Confident84.1Confident87 Ų8787.2 Ų87.290%0.89746%0.455SS*.THydrogen-bonded Turntrans7918.8-175.500000115.4W403W403-G405 PolarHBondContact O-N 2.79Å
406C86.1Confident84.4Confident19 Ų1986.6 Ų86.613%0.12844%0.44CS..  trans-127.2100.2173.5-160.50000113.6C401 W403 R408 H419 H423C401-C406 HydrophobicContact CB-CB 4.46Å; W403-C406 HydrophobicContact CB-CB 4.13Å; W403-C406 PolarHBondContact O-N 2.75Å; C406-R408 VanDerWaalsContact C-N 3.26Å; C406-R408 PolarHBondContact O-N 3.01Å; C406-H419 PolarHBondContact SG-NE2 3.1Å; C406-H419 VanDerWaalsContact SG-NE2 3.43Å; C406-H423 VanDerWaalsContact SG-CE1 3.57Å
407E85.2Confident84.6Confident185 Ų18584.4 Ų84.486%0.86444%0.436SS*.  trans-84.69.5-177.9-55.5-173.4165.600114.1R409E407-R409 VanDerWaalsContact O-CG 3.31Å; E407-R409 WeakPolarHBondContact O-CG 3.46Å; E407-R409 PolarHBondContact O-N 3.27Å
408R85.1Confident84.7Confident158 Ų15882.4 Ų82.460%0.59643%0.425SS*.  trans-64.2127.9-174.8-75.9-177.7165.6155.3-0.7111.6C401 C406 F410C401-R408 PolarHBondContact N-O 3.13Å; C406-R408 VanDerWaalsContact C-N 3.26Å; C406-R408 PolarHBondContact O-N 3.01Å; R408-F410 HydrophobicContact CB-CE2 3.75Å; R408-F410 HydrophobicContact CB-CZ 3.71Å; R408-F410 WeakPolarHBondContact O-CE2 3.33Å
409R87.6Confident84.9Confident149 Ų14980 Ų8056%0.56241%0.409SS*.EExtended strand (participates in β ladder)trans-118.8143.6178.8-41.3-175.283.7117.72.2111.5K397 F399 E407K397-R409 HydrophobicContact CB-CB 3.62Å; F399-R409 CarbonylContact O-C 3.3Å; F399-R409 WeakPolarHBondContact O-CA 3.38Å; E407-R409 VanDerWaalsContact O-CG 3.31Å; E407-R409 WeakPolarHBondContact O-CG 3.46Å; E407-R409 PolarHBondContact O-N 3.27Å
410F85.2Confident85Confident36 Ų3684 Ų8416%0.15842%0.422CS..EExtended strand (participates in β ladder)trans-129.9150.9-171.8-54.6-87.2000112.3K397 F399 R408 R412 E415 L416 H419K397-F410 CarbonylContact C-O 3.51Å; K397-F410 VanDerWaalsContact C-O 3.3Å; K397-F410 VanDerWaalsContact CA-O 3.29Å; K397-F410 WeakPolarHBondContact CA-O 3.41Å; F399-F410 HydrophobicContact CB-CB 4.4Å; F399-F410 WeakPolarHBondContact CB-O 3.42Å; F399-F410 WeakPolarHBondContact CD2-O 3.3Å; F399-F410 PolarHBondContact N-O 2.73Å; F399-F410 VanDerWaalsContact N-O 3.08Å; F399-F410 WeakPolarHBondContact O-CD2 3.39Å; F399-F410 PolarHBondContact O-N 3.3Å; R408-F410 HydrophobicContact CB-CE2 3.75Å; R408-F410 HydrophobicContact CB-CZ 3.71Å; R408-F410 WeakPolarHBondContact O-CE2 3.33Å; F410-R412 VanDerWaalsContact C-N 3.35Å; F410-E415 HydrophobicContact CB-CB 4.18Å; F410-E415 HydrophobicContact CB-CG 4.3Å; F410-E415 HydrophobicContact CD1-CB 4.2Å; F410-E415 HydrophobicContact CD1-CG 3.46Å; F410-E415 VanDerWaalsContact CD1-CG 3.46Å; F410-E415 HydrophobicContact CE1-CG 4.13Å; F410-E415 HydrophobicContact CG-CB 4.38Å; F410-E415 HydrophobicContact CG-CG 4.12Å; F410-L416 HydrophobicContact CD2-CB 4.01Å; F410-L416 HydrophobicContact CD2-CD1 4.08Å; F410-L416 HydrophobicContact CE2-CD1 4.21Å; F410-L416 HydrophobicContact CG-CB 4.5Å; F410-H419 HydrophobicContact CE1-CB 4.28Å; F410-H419 HydrophobicContact CE2-CB 4.06Å; F410-H419 AromaticContact CE2-CD2 3.28Å; F410-H419 WeakPolarHBondContact CE2-CD2 3.5Å; F410-H419 AromaticContact CE2-CG 3.9Å; F410-H419 HydrophobicContact CZ-CB 3.68Å; F410-H419 AromaticContact CZ-CD2 3.27Å; F410-H419 WeakPolarHBondContact CZ-CD2 3.33Å; F410-H419 AromaticContact CZ-CG 3.5Å
411A83.8Confident84.8Confident20 Ų2086.6 Ų86.617%0.16542%0.423CS..SBendtrans-77.8-17.8177.400000113.9R391 E396R391-A411 HydrophobicContact CB-CB 4Å; R391-A411 VanDerWaalsContact CD-O 3.3Å; R391-A411 WeakPolarHBondContact CD-O 3.38Å; R391-A411 PolarHBondContact NH1-O 3.46Å; R391-A411 VanDerWaalsContact NH1-O 3.13Å; E396-A411 WeakPolarHBondContact O-CA 3.43Å; E396-A411 WeakPolarHBondContact O-CB 3.41Å
412R82.1Confident84.5Confident87 Ų8789.5 Ų89.533%0.32844%0.441SS..SBendtrans-135145.6-172.1-44.2-175.6-55.9112.315.9111.1A388 F410 D414 E415 L416A388-R412 HydrophobicContact CB-CG 4.38Å; F410-R412 VanDerWaalsContact C-N 3.35Å; R412-D414 WeakPolarHBondContact CB-OD1 3.35Å; R412-D414 IonicContact CZ-OD1 3.11Å; R412-D414 IonicContact CZ-OD2 3.19Å; R412-D414 IonicContact NE-OD1 2.67Å; R412-D414 IonicContact NH1-OD1 3.48Å; R412-D414 PolarHBondContact NH1-OD1 2.96Å; R412-D414 IonicContact NH1-OD2 2.78Å; R412-D414 PolarHBondContact NH1-OD2 2.97Å; R412-D414 IonicContact NH2-OD1 3.14Å; R412-D414 PolarHBondContact NH2-OD1 3.13Å; R412-D414 IonicContact NH2-OD2 2.76Å; R412-D414 PolarHBondContact NH2-OD2 3.07Å; R412-E415 HydrophobicContact CB-CB 4.3Å; R412-E415 IonicContact NH2-OE2 3.12Å; R412-E415 PolarHBondContact NH2-OE2 3.01Å; R412-E415 WeakPolarHBondContact O-CB 3.5Å; R412-E415 PolarHBondContact O-N 2.83Å; R412-L416 PolarHBondContact O-N 2.98Å
413S83.8Confident84.3Confident65 Ų6586.4 Ų86.446%0.45541%0.414SS..Hα-helixtrans-77-31.5-175.147.70000113.7E415 L416 S417S413-E415 VanDerWaalsContact C-N 3.28Å; S413-L416 PolarHBondContact O-N 3.43Å; S413-S417 WeakPolarHBondContact O-CB 3.34Å; S413-S417 PolarHBondContact O-N 3.16Å; S413-S417 PolarHBondContact O-OG 2.95Å
414D82.9Confident84.1Confident76 Ų7683.6 Ų83.641%0.40641%0.411SS..Hα-helixtrans-64.8-35.3171.669.2-49.3000111.2R412 S417 R418R412-D414 WeakPolarHBondContact CB-OD1 3.35Å; R412-D414 IonicContact CZ-OD1 3.11Å; R412-D414 IonicContact CZ-OD2 3.19Å; R412-D414 IonicContact NE-OD1 2.67Å; R412-D414 IonicContact NH1-OD1 3.48Å; R412-D414 PolarHBondContact NH1-OD1 2.96Å; R412-D414 IonicContact NH1-OD2 2.78Å; R412-D414 PolarHBondContact NH1-OD2 2.97Å; R412-D414 IonicContact NH2-OD1 3.14Å; R412-D414 PolarHBondContact NH2-OD1 3.13Å; R412-D414 IonicContact NH2-OD2 2.76Å; R412-D414 PolarHBondContact NH2-OD2 3.07Å; D414-S417 PolarHBondContact O-N 3.45Å; D414-R418 VanDerWaalsContact O-CB 3.25Å; D414-R418 WeakPolarHBondContact O-CB 3.46Å; D414-R418 PolarHBondContact O-N 3.12Å
415E84.6Confident84Confident44 Ų4475.7 Ų75.721%0.20639%0.387CS..Hα-helixtrans-66.1-46.8175.6-163.162.6-120.800111.9F410 R412 S413 S417 R418 H419F410-E415 HydrophobicContact CB-CB 4.18Å; F410-E415 HydrophobicContact CB-CG 4.3Å; F410-E415 HydrophobicContact CD1-CB 4.2Å; F410-E415 HydrophobicContact CD1-CG 3.46Å; F410-E415 VanDerWaalsContact CD1-CG 3.46Å; F410-E415 HydrophobicContact CE1-CG 4.13Å; F410-E415 HydrophobicContact CG-CB 4.38Å; F410-E415 HydrophobicContact CG-CG 4.12Å; R412-E415 HydrophobicContact CB-CB 4.3Å; R412-E415 IonicContact NH2-OE2 3.12Å; R412-E415 PolarHBondContact NH2-OE2 3.01Å; R412-E415 WeakPolarHBondContact O-CB 3.5Å; R412-E415 PolarHBondContact O-N 2.83Å; S413-E415 VanDerWaalsContact C-N 3.28Å; E415-S417 VanDerWaalsContact C-N 3.32Å; E415-S417 PolarHBondContact O-N 3.15Å; E415-R418 PolarHBondContact O-N 2.92Å; E415-R418 IonicContact OE1-CZ 3.1Å; E415-R418 IonicContact OE1-NE 3.74Å; E415-R418 PolarHBondContact OE1-NE 3.42Å; E415-R418 IonicContact OE1-NH2 2.92Å; E415-R418 PolarHBondContact OE1-NH2 2.89Å; E415-R418 IonicContact OE2-CZ 3.3Å; E415-R418 IonicContact OE2-NE 2.97Å; E415-R418 IonicContact OE2-NH2 3.77Å; E415-R418 PolarHBondContact OE2-NH2 2.82Å; E415-H419 WeakPolarHBondContact O-CB 3.25Å; E415-H419 PolarHBondContact O-N 2.93Å
416L87.9Confident83.8Confident31 Ų3175.2 Ų75.216%0.16236%0.362CS..Hα-helixtrans-59.9-43.7171.7171.260.1000111.2F399 S400 C401 F410 R412 S413 R418 H419 R420F399-L416 HydrophobicContact CB-CB 4.02Å; F399-L416 HydrophobicContact CB-CD2 3.81Å; S400-L416 WeakPolarHBondContact O-CD2 3.32Å; C401-L416 HydrophobicContact CB-CD1 4.03Å; F410-L416 HydrophobicContact CD2-CB 4.01Å; F410-L416 HydrophobicContact CD2-CD1 4.08Å; F410-L416 HydrophobicContact CE2-CD1 4.21Å; F410-L416 HydrophobicContact CG-CB 4.5Å; R412-L416 PolarHBondContact O-N 2.98Å; S413-L416 PolarHBondContact O-N 3.43Å; L416-R418 VanDerWaalsContact C-N 3.3Å; L416-R418 PolarHBondContact O-N 3.32Å; L416-H419 PolarHBondContact O-N 3.24Å; L416-R420 PolarHBondContact O-N 3.32Å
417S85.3Confident83.5Confident53 Ų5380.1 Ų80.137%0.37138%0.381SS..Hα-helixtrans-64.3-35.1179.6-58.90000112.4S413 D414 E415S413-S417 WeakPolarHBondContact O-CB 3.34Å; S413-S417 PolarHBondContact O-N 3.16Å; S413-S417 PolarHBondContact O-OG 2.95Å; D414-S417 PolarHBondContact O-N 3.45Å; E415-S417 VanDerWaalsContact C-N 3.32Å; E415-S417 PolarHBondContact O-N 3.15Å
418R83.3Confident83.3Confident83 Ų8375.5 Ų75.531%0.31336%0.358SS..Hα-helixtrans-69.9-42.9172.8-177.8168.378.6176.76.3111.5D414 E415 L416 R421 R440D414-R418 VanDerWaalsContact O-CB 3.25Å; D414-R418 WeakPolarHBondContact O-CB 3.46Å; D414-R418 PolarHBondContact O-N 3.12Å; E415-R418 PolarHBondContact O-N 2.92Å; E415-R418 IonicContact OE1-CZ 3.1Å; E415-R418 IonicContact OE1-NE 3.74Å; E415-R418 PolarHBondContact OE1-NE 3.42Å; E415-R418 IonicContact OE1-NH2 2.92Å; E415-R418 PolarHBondContact OE1-NH2 2.89Å; E415-R418 IonicContact OE2-CZ 3.3Å; E415-R418 IonicContact OE2-NE 2.97Å; E415-R418 IonicContact OE2-NH2 3.77Å; E415-R418 PolarHBondContact OE2-NH2 2.82Å; L416-R418 VanDerWaalsContact C-N 3.3Å; L416-R418 PolarHBondContact O-N 3.32Å; R418-R421 PolarHBondContact O-N 2.89Å; R418-R440 HydrophobicContact CG-CG 4.3Å
419H86.9Confident83.2Confident14 Ų1469.6 Ų69.67%0.06534%0.337CS..Hα-helixtrans-65-38.1175.8173.239.9000112.4C406 F410 E415 L416 R421 T422 H423C406-H419 PolarHBondContact SG-NE2 3.1Å; C406-H419 VanDerWaalsContact SG-NE2 3.43Å; F410-H419 HydrophobicContact CE1-CB 4.28Å; F410-H419 HydrophobicContact CE2-CB 4.06Å; F410-H419 AromaticContact CE2-CD2 3.28Å; F410-H419 WeakPolarHBondContact CE2-CD2 3.5Å; F410-H419 AromaticContact CE2-CG 3.9Å; F410-H419 HydrophobicContact CZ-CB 3.68Å; F410-H419 AromaticContact CZ-CD2 3.27Å; F410-H419 WeakPolarHBondContact CZ-CD2 3.33Å; F410-H419 AromaticContact CZ-CG 3.5Å; E415-H419 WeakPolarHBondContact O-CB 3.25Å; E415-H419 PolarHBondContact O-N 2.93Å; L416-H419 PolarHBondContact O-N 3.24Å; H419-R421 PolarHBondContact O-N 3.31Å; H419-R421 VanDerWaalsContact O-N 3.09Å; H419-T422 PolarHBondContact CE1-OG1 3.15Å; H419-T422 PolarHBondContact ND1-OG1 3.36Å; H419-T422 WeakPolarHBondContact O-CA 3.41Å; H419-T422 WeakPolarHBondContact O-CB 3.45Å; H419-T422 PolarHBondContact O-N 2.62Å; H419-T422 PolarHBondContact O-OG1 2.79Å; H419-H423 AromaticContact CE1-CE1 3.81Å; H419-H423 AromaticContact CE1-NE2 3.24Å; H419-H423 PolarHBondContact CE1-NE2 2.82Å; H419-H423 AromaticContact NE2-NE2 3.27Å; H419-H423 PolarHBondContact NE2-NE2 3.39Å
420R84.3Confident82.9Confident144 Ų14465 Ų6554%0.54333%0.331SS..Hα-helixtrans-56.1-33179.3-167.8169.169-156.53.6112.8L416 T422 H423L416-R420 PolarHBondContact O-N 3.32Å; R420-T422 PolarHBondContact O-N 2.74Å; R420-H423 PolarHBondContact O-N 2.76Å; R420-H423 VanDerWaalsContact O-N 3.14Å
421R83.6Confident82.9Confident106 Ų10663.8 Ų63.840%0.433%0.326SS..Hα-helixtrans-63.4-24.3174.1-56.7178.3-172.3-174.5-0.7113.4R418 H419 H423 T424 G425 M439R418-R421 PolarHBondContact O-N 2.89Å; H419-R421 PolarHBondContact O-N 3.31Å; H419-R421 VanDerWaalsContact O-N 3.09Å; R421-H423 PolarHBondContact O-N 3.44Å; R421-T424 PolarHBondContact O-N 3.31Å; R421-T424 PolarHBondContact O-OG1 3.47Å; R421-G425 PolarHBondContact O-N 3.33Å; R421-M439 HydrophobicContact CB-CG 3.89Å; R421-M439 HydrophobicContact CB-SD 3.94Å; R421-M439 WeakPolarHBondContact O-CE 3.29Å; R421-M439 VanDerWaalsContact O-SD 3.34Å
422T82.5Confident82.8Confident75 Ų7566.5 Ų66.546%0.4634%0.343SS..Hα-helixtrans-70.5-19.517671.60000112.8H419 R420 M439H419-T422 PolarHBondContact CE1-OG1 3.15Å; H419-T422 PolarHBondContact ND1-OG1 3.36Å; H419-T422 WeakPolarHBondContact O-CA 3.41Å; H419-T422 WeakPolarHBondContact O-CB 3.45Å; H419-T422 PolarHBondContact O-N 2.62Å; H419-T422 PolarHBondContact O-OG1 2.79Å; R420-T422 PolarHBondContact O-N 2.74Å; T422-M439 VanDerWaalsContact CA-SD 3.6Å; T422-M439 HydrophobicContact CG2-SD 3.73Å
423H81.9Confident82.7Confident50 Ų5066.4 Ų66.423%0.23135%0.347CS..Hα-helixtrans-84.8-35.9174.8-63.6-63.1000112.9C401 W403 C406 H419 R420 R421C401-H423 PolarHBondContact SG-NE2 2.93Å; W403-H423 AromaticContact CD1-CE1 3.78Å; W403-H423 AromaticContact CD1-CG 3.92Å; W403-H423 AromaticContact CD1-ND1 3.52Å; W403-H423 HydrophobicContact CD2-CB 3.52Å; W403-H423 AromaticContact CD2-CG 3.61Å; W403-H423 AromaticContact CD2-ND1 4Å; W403-H423 AromaticContact CE2-CG 4Å; W403-H423 HydrophobicContact CE3-CB 3.61Å; W403-H423 HydrophobicContact CG-CB 4.07Å; W403-H423 AromaticContact CG-CD2 3.77Å; W403-H423 AromaticContact CG-CE1 3.86Å; W403-H423 AromaticContact CG-CG 3.57Å; W403-H423 AromaticContact CG-ND1 3.64Å; W403-H423 AromaticContact CG-NE2 3.97Å; W403-H423 HydrophobicContact CH2-CB 4.08Å; W403-H423 HydrophobicContact CZ2-CB 4.01Å; W403-H423 HydrophobicContact CZ3-CB 3.89Å; W403-H423 AromaticContact NE1-ND1 3.8Å; C406-H423 VanDerWaalsContact SG-CE1 3.57Å; H419-H423 AromaticContact CE1-CE1 3.81Å; H419-H423 AromaticContact CE1-NE2 3.24Å; H419-H423 PolarHBondContact CE1-NE2 2.82Å; H419-H423 AromaticContact NE2-NE2 3.27Å; H419-H423 PolarHBondContact NE2-NE2 3.39Å; R420-H423 PolarHBondContact O-N 2.76Å; R420-H423 VanDerWaalsContact O-N 3.14Å; R421-H423 PolarHBondContact O-N 3.44Å
424T80.7Confident82.7Confident68 Ų6865.1 Ų65.142%0.41734%0.337SS..Hα-helixtrans-83.7-13.6178.258.50000113.6R421 E426R421-T424 PolarHBondContact O-N 3.31Å; R421-T424 PolarHBondContact O-OG1 3.47Å; T424-E426 WeakPolarHBondContact CB-OE1 3.38Å; T424-E426 PolarHBondContact O-N 3.35Å; T424-E426 PolarHBondContact OG1-OE1 3.45Å
425G79.6Confident82.6Confident39 Ų3969.1 Ų69.140%0.40236%0.359SS..  trans72.83.5176.600000115R421 K427R421-G425 PolarHBondContact O-N 3.33Å; G425-K427 PolarHBondContact O-N 2.91Å
426E77.1Confident82.5Confident77 Ų7775.1 Ų75.136%0.3638%0.38SS..  trans-61.397.3-170.8-71168.1-9800113.9T424 K428T424-E426 WeakPolarHBondContact CB-OE1 3.38Å; T424-E426 PolarHBondContact O-N 3.35Å; T424-E426 PolarHBondContact OG1-OE1 3.45Å; E426-K428 HydrophobicContact CB-CG 4.35Å; E426-K428 PolarHBondContact O-N 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.18Å; E426-K428 IonicContact OE2-NZ 2.89Å; E426-K428 PolarHBondContact OE2-NZ 2.8Å
427K79.9Confident82.4Confident122 Ų12280.9 Ų80.953%0.5340%0.399SS..  trans-87.276.9175-67.1166.2-178.2173.90111.3G425 R437 F438G425-K427 PolarHBondContact O-N 2.91Å; K427-R437 HydrophobicContact CB-CB 3.69Å; K427-R437 HydrophobicContact CD-CB 4.4Å; K427-R437 WeakPolarHBondContact CD-O 3.34Å; K427-R437 PolarHBondContact O-NE 3.11Å; K427-R437 PolarHBondContact O-NH2 2.67Å; K427-F438 CarbonylContact C-O 3.57Å; K427-F438 VanDerWaalsContact C-O 3.26Å; K427-F438 VanDerWaalsContact CA-O 3.3Å; K427-F438 WeakPolarHBondContact CA-O 3.49Å
428K81.3Confident82.4Confident89 Ų8980.4 Ų80.439%0.38739%0.39SS..  trans-74-24.4-176.3-58.5-162179.9-174.40114.9E426 F438E426-K428 HydrophobicContact CB-CG 4.35Å; E426-K428 PolarHBondContact O-N 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.18Å; E426-K428 IonicContact OE2-NZ 2.89Å; E426-K428 PolarHBondContact OE2-NZ 2.8Å; K428-F438 PolarHBondContact N-O 3.31Å
429F82.5Confident82.4Confident33 Ų3378.2 Ų78.215%0.14538%0.384CS..EExtended strand (participates in β ladder)trans-99.697-173.2-58-82.4000111R437 F438 L444F429-R437 CarbonylContact O-C 3.5Å; F429-R437 WeakPolarHBondContact O-CA 3.41Å; F429-F438 HydrophobicContact CB-CB 4.3Å; F429-F438 PolarHBondContact N-O 3.26Å; F429-F438 PolarHBondContact O-N 3.4Å; F429-L444 HydrophobicContact CB-CB 4.23Å; F429-L444 HydrophobicContact CB-CD2 3.93Å
430A82.9Confident82.2Confident53 Ų5380.3 Ų80.344%0.43839%0.392SS..EExtended strand (participates in β ladder)trans-76.5151.4172.700000111.6R437 L444A430-R437 HydrophobicContact CB-CG 4.14Å; A430-L444 VanDerWaalsContact O-CD2 3.23Å; A430-L444 WeakPolarHBondContact O-CD2 3.46Å
431C85.1Confident82.3Confident10 Ų1075.7 Ų75.77%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-88133.8167.9-175.70000109.6M433 C434 R436 F438 L444C431-M433 PolarHBondContact O-N 3.24Å; C431-C434 WeakPolarHBondContact CB-O 3.38Å; C431-R436 PolarHBondContact N-O 2.93Å; C431-R436 VanDerWaalsContact N-O 3.15Å; C431-F438 HydrophobicContact CB-CE2 4.44Å; C431-L444 HydrophobicContact CB-CD1 3.69Å
432P80.9Confident82.3Confident78 Ų7872.8 Ų72.851%0.50637%0.374SS..THydrogen-bonded Turntrans-72.9-14.8177.129.5-35.3000113.1L467P432-L467 HydrophobicContact CG-CD1 4.33Å
433M79.6Confident82.6Confident85 Ų8572.8 Ų72.842%0.41937%0.368SS..THydrogen-bonded Turntrans-101.9-5.9-176.9-68.4173.1-77.700114.2C431 A448 H451 L452C431-M433 PolarHBondContact O-N 3.24Å; M433-A448 HydrophobicContact CE-CB 4.12Å; M433-H451 HydrophobicContact CB-CB 4.47Å; M433-H451 HydrophobicContact CE-CB 3.7Å; M433-H451 HydrophobicContact SD-CB 3.52Å; M433-H451 VanDerWaalsContact SD-CB 3.52Å; M433-L452 HydrophobicContact CE-CD1 3.88Å; M433-L452 HydrophobicContact SD-CD1 4.19Å
434C84.6Confident82.9Confident38 Ų3870.6 Ų70.626%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-172163.1169.164.30000111.3C431 R436 H447 H451C431-C434 WeakPolarHBondContact CB-O 3.38Å; C434-R436 PolarHBondContact O-N 3.32Å; C434-H447 PolarHBondContact SG-NE2 2.76Å; C434-H451 PolarHBondContact SG-NE2 2.78Å; C434-H451 VanDerWaalsContact SG-NE2 3.39Å
435D81.1Confident83.2Confident160 Ų16069 Ų6986%0.85635%0.349SS*.EExtended strand (participates in β ladder)trans-69.110.1-172-46.9-79.4000115.7R437D435-R437 PolarHBondContact O-N 3.45Å
436R82.2Confident83.6Confident170 Ų17072.6 Ų72.664%0.64235%0.353SS*.EExtended strand (participates in β ladder)trans-71.7111.6177.7-68.9-171178.4-133.5-0.4110.6C431 C434 F438C431-R436 PolarHBondContact N-O 2.93Å; C431-R436 VanDerWaalsContact N-O 3.15Å; C434-R436 PolarHBondContact O-N 3.32Å; R436-F438 HydrophobicContact CB-CE2 3.83Å; R436-F438 HydrophobicContact CB-CZ 3.93Å; R436-F438 WeakPolarHBondContact O-CD2 3.4Å; R436-F438 WeakPolarHBondContact O-CE2 3.41Å
437R86.3Confident84.1Confident152 Ų15270.1 Ų70.157%0.57434%0.342SS*.EExtended strand (participates in β ladder)trans-98.4138.7175.9-58.4175.760.8159.92.7112.1K427 F429 A430 D435K427-R437 HydrophobicContact CB-CB 3.69Å; K427-R437 HydrophobicContact CD-CB 4.4Å; K427-R437 WeakPolarHBondContact CD-O 3.34Å; K427-R437 PolarHBondContact O-NE 3.11Å; K427-R437 PolarHBondContact O-NH2 2.67Å; F429-R437 CarbonylContact O-C 3.5Å; F429-R437 WeakPolarHBondContact O-CA 3.41Å; A430-R437 HydrophobicContact CB-CG 4.14Å; D435-R437 PolarHBondContact O-N 3.45Å
438F83.9Confident84.3Confident42 Ų4264.5 Ų64.518%0.18432%0.318CS..EExtended strand (participates in β ladder)trans-120.8154.1-175.5-59.5-88.4000111.9K427 K428 F429 C431 R436 H443 L444 H447K427-F438 CarbonylContact C-O 3.57Å; K427-F438 VanDerWaalsContact C-O 3.26Å; K427-F438 VanDerWaalsContact CA-O 3.3Å; K427-F438 WeakPolarHBondContact CA-O 3.49Å; K428-F438 PolarHBondContact N-O 3.31Å; F429-F438 HydrophobicContact CB-CB 4.3Å; F429-F438 PolarHBondContact N-O 3.26Å; F429-F438 PolarHBondContact O-N 3.4Å; C431-F438 HydrophobicContact CB-CE2 4.44Å; R436-F438 HydrophobicContact CB-CE2 3.83Å; R436-F438 HydrophobicContact CB-CZ 3.93Å; R436-F438 WeakPolarHBondContact O-CD2 3.4Å; R436-F438 WeakPolarHBondContact O-CE2 3.41Å; F438-H443 HydrophobicContact CB-CB 4.35Å; F438-H443 HydrophobicContact CD1-CB 3.85Å; F438-H443 HydrophobicContact CG-CB 4.36Å; F438-L444 HydrophobicContact CB-CB 4.39Å; F438-L444 HydrophobicContact CD2-CB 4.01Å; F438-L444 HydrophobicContact CD2-CD1 4.11Å; F438-L444 HydrophobicContact CE2-CD1 4.29Å; F438-L444 HydrophobicContact CG-CB 4.34Å; F438-H447 HydrophobicContact CE1-CB 4.11Å; F438-H447 HydrophobicContact CE2-CB 3.93Å; F438-H447 AromaticContact CE2-CD2 3.38Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.47Å; F438-H447 AromaticContact CE2-CG 3.78Å; F438-H447 HydrophobicContact CZ-CB 3.5Å; F438-H447 AromaticContact CZ-CD2 3.41Å; F438-H447 VanDerWaalsContact CZ-CD2 3.41Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.49Å; F438-H447 AromaticContact CZ-CG 3.36Å
439M84.6Confident84.5Confident38 Ų3866.3 Ų66.319%0.18732%0.322CS..SBendtrans-87.3-12.4178.3-172.3177-74.600113.4R421 T422R421-M439 HydrophobicContact CB-CG 3.89Å; R421-M439 HydrophobicContact CB-SD 3.94Å; R421-M439 WeakPolarHBondContact O-CE 3.29Å; R421-M439 VanDerWaalsContact O-SD 3.34Å; T422-M439 VanDerWaalsContact CA-SD 3.6Å; T422-M439 HydrophobicContact CG2-SD 3.73Å
440R82.3Confident84.5Confident58 Ų5873.4 Ų73.422%0.21935%0.348CS..SBendtrans-141.1137.7-174.7-70.2162.951.4167.9-6.6110R418 D442 H443 L444R418-R440 HydrophobicContact CG-CG 4.3Å; R440-D442 IonicContact CZ-OD1 2.93Å; R440-D442 IonicContact NE-OD1 2.68Å; R440-D442 PolarHBondContact NE-OD1 3.18Å; R440-D442 VanDerWaalsContact NH2-CG 3.28Å; R440-D442 IonicContact NH2-OD1 3.86Å; R440-D442 PolarHBondContact NH2-OD1 3.01Å; R440-D442 IonicContact NH2-OD2 2.73Å; R440-D442 PolarHBondContact NH2-OD2 2.88Å; R440-D442 VanDerWaalsContact NH2-OD2 3.11Å; R440-D442 PolarHBondContact O-N 3.32Å; R440-H443 HydrophobicContact CB-CB 4.43Å; R440-H443 WeakPolarHBondContact CD-NE2 3.35Å; R440-H443 VanDerWaalsContact CZ-CE1 3.41Å; R440-H443 VanDerWaalsContact CZ-NE2 3.34Å; R440-H443 PolarHBondContact NE-NE2 2.68Å; R440-H443 PolarHBondContact NH2-CE1 2.93Å; R440-H443 PolarHBondContact O-N 3.43Å; R440-L444 PolarHBondContact O-N 3.01Å
441S85.3Confident84.3Confident46 Ų4673.2 Ų73.232%0.32234%0.338SS..Hα-helixtrans-58.2-43.2174.450.40000112.1H443 L444 T445S441-H443 PolarHBondContact O-N 2.75Å; S441-H443 VanDerWaalsContact O-N 3.13Å; S441-L444 CarbonylContact O-C 3.54Å; S441-L444 WeakPolarHBondContact O-CA 3.4Å; S441-L444 WeakPolarHBondContact O-CB 3.35Å; S441-L444 PolarHBondContact O-N 3.02Å; S441-T445 PolarHBondContact O-N 3.02Å; S441-T445 PolarHBondContact O-OG1 2.95Å
442D84.9Confident83.5Confident46 Ų4674.4 Ų74.425%0.24634%0.343CS..Hα-helixtrans-62.5-26.2-179.586-77.5000113.9R440 K446R440-D442 IonicContact CZ-OD1 2.93Å; R440-D442 IonicContact NE-OD1 2.68Å; R440-D442 PolarHBondContact NE-OD1 3.18Å; R440-D442 VanDerWaalsContact NH2-CG 3.28Å; R440-D442 IonicContact NH2-OD1 3.86Å; R440-D442 PolarHBondContact NH2-OD1 3.01Å; R440-D442 IonicContact NH2-OD2 2.73Å; R440-D442 PolarHBondContact NH2-OD2 2.88Å; R440-D442 VanDerWaalsContact NH2-OD2 3.11Å; R440-D442 PolarHBondContact O-N 3.32Å; D442-K446 WeakPolarHBondContact O-CB 3.43Å; D442-K446 VanDerWaalsContact O-CD 3.31Å; D442-K446 WeakPolarHBondContact O-CD 3.3Å; D442-K446 WeakPolarHBondContact O-CG 2.78Å; D442-K446 PolarHBondContact O-N 3.44Å; D442-K446 VanDerWaalsContact O-N 3.16Å; D442-K446 IonicContact OD2-NZ 2.77Å; D442-K446 PolarHBondContact OD2-NZ 3.44Å
443H87.5Confident82.8Confident74 Ų7475.5 Ų75.534%0.34335%0.353SS..Hα-helixtrans-75.6-41.1171.9-65.8-20.2000111.3F438 R440 S441 K446 H447F438-H443 HydrophobicContact CB-CB 4.35Å; F438-H443 HydrophobicContact CD1-CB 3.85Å; F438-H443 HydrophobicContact CG-CB 4.36Å; R440-H443 HydrophobicContact CB-CB 4.43Å; R440-H443 WeakPolarHBondContact CD-NE2 3.35Å; R440-H443 VanDerWaalsContact CZ-CE1 3.41Å; R440-H443 VanDerWaalsContact CZ-NE2 3.34Å; R440-H443 PolarHBondContact NE-NE2 2.68Å; R440-H443 PolarHBondContact NH2-CE1 2.93Å; R440-H443 PolarHBondContact O-N 3.43Å; S441-H443 PolarHBondContact O-N 2.75Å; S441-H443 VanDerWaalsContact O-N 3.13Å; H443-K446 PolarHBondContact O-N 3.42Å; H443-H447 WeakPolarHBondContact O-CB 3.43Å; H443-H447 PolarHBondContact O-N 3.39Å
444L89Confident82Confident5 Ų575.3 Ų75.33%0.02637%0.365CS..Hα-helixtrans-59.7-49.4169.9171.359.6000111.3F429 A430 C431 F438 R440 S441 K446 H447 A448 L467F429-L444 HydrophobicContact CB-CB 4.23Å; F429-L444 HydrophobicContact CB-CD2 3.93Å; A430-L444 VanDerWaalsContact O-CD2 3.23Å; A430-L444 WeakPolarHBondContact O-CD2 3.46Å; C431-L444 HydrophobicContact CB-CD1 3.69Å; F438-L444 HydrophobicContact CB-CB 4.39Å; F438-L444 HydrophobicContact CD2-CB 4.01Å; F438-L444 HydrophobicContact CD2-CD1 4.11Å; F438-L444 HydrophobicContact CE2-CD1 4.29Å; F438-L444 HydrophobicContact CG-CB 4.34Å; R440-L444 PolarHBondContact O-N 3.01Å; S441-L444 CarbonylContact O-C 3.54Å; S441-L444 WeakPolarHBondContact O-CA 3.4Å; S441-L444 WeakPolarHBondContact O-CB 3.35Å; S441-L444 PolarHBondContact O-N 3.02Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.19Å; L444-H447 CarbonylContact O-C 3.41Å; L444-H447 WeakPolarHBondContact O-CA 3.38Å; L444-H447 PolarHBondContact O-N 3.2Å; L444-A448 WeakPolarHBondContact O-CB 3.16Å; L444-A448 PolarHBondContact O-N 3.18Å; L444-L467 HydrophobicContact CD2-CD1 4.43Å; L444-L467 HydrophobicContact CD2-CD2 4.37Å
445T86.9Confident80.8Confident35 Ų3580.8 Ų80.822%0.21538%0.384CS..Hα-helixtrans-64.6-28.6-179.8-38.80000112.9S441 R449 V464S441-T445 PolarHBondContact O-N 3.02Å; S441-T445 PolarHBondContact O-OG1 2.95Å; T445-R449 WeakPolarHBondContact O-CG 3.5Å; T445-R449 PolarHBondContact O-N 2.84Å; T445-R449 PolarHBondContact O-NE 3.21Å; T445-V464 HydrophobicContact CG2-CG1 4.29Å
446K87.3Confident79.2Confident114 Ų11483.4 Ų83.450%0.49639%0.388SS..Hα-helixtrans-74.2-36.2170.6-75.4166.2-175.2159.60111.9D442 H443 L444D442-K446 WeakPolarHBondContact O-CB 3.43Å; D442-K446 VanDerWaalsContact O-CD 3.31Å; D442-K446 WeakPolarHBondContact O-CD 3.3Å; D442-K446 WeakPolarHBondContact O-CG 2.78Å; D442-K446 PolarHBondContact O-N 3.44Å; D442-K446 VanDerWaalsContact O-N 3.16Å; D442-K446 IonicContact OD2-NZ 2.77Å; D442-K446 PolarHBondContact OD2-NZ 3.44Å; H443-K446 PolarHBondContact O-N 3.42Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.19Å
447H87.4Confident77.7Confident25 Ų2580.6 Ų80.612%0.11639%0.385CS..Hα-helixtrans-72.6-46.9176.6176.957.6000112.8C434 F438 H443 L444 R449 R450 H451C434-H447 PolarHBondContact SG-NE2 2.76Å; F438-H447 HydrophobicContact CE1-CB 4.11Å; F438-H447 HydrophobicContact CE2-CB 3.93Å; F438-H447 AromaticContact CE2-CD2 3.38Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.47Å; F438-H447 AromaticContact CE2-CG 3.78Å; F438-H447 HydrophobicContact CZ-CB 3.5Å; F438-H447 AromaticContact CZ-CD2 3.41Å; F438-H447 VanDerWaalsContact CZ-CD2 3.41Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.49Å; F438-H447 AromaticContact CZ-CG 3.36Å; H443-H447 WeakPolarHBondContact O-CB 3.43Å; H443-H447 PolarHBondContact O-N 3.39Å; L444-H447 CarbonylContact O-C 3.41Å; L444-H447 WeakPolarHBondContact O-CA 3.38Å; L444-H447 PolarHBondContact O-N 3.2Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 3.09Å; H447-R450 WeakPolarHBondContact O-CB 3.47Å; H447-R450 PolarHBondContact O-N 2.86Å; H447-H451 AromaticContact CD2-NE2 3.84Å; H447-H451 AromaticContact CE1-CD2 3.97Å; H447-H451 AromaticContact CE1-NE2 3.32Å; H447-H451 PolarHBondContact CE1-NE2 3.32Å; H447-H451 VanDerWaalsContact CE1-NE2 3.32Å; H447-H451 AromaticContact NE2-CD2 3.73Å; H447-H451 AromaticContact NE2-NE2 3.02Å; H447-H451 PolarHBondContact NE2-NE2 3.16Å
448A84.9Confident75.7Confident4 Ų479.6 Ų79.63%0.03340%0.398CS..Hα-helixtrans-54-43.9175.300000111.3M433 L444 R450 H451 L452M433-A448 HydrophobicContact CE-CB 4.12Å; L444-A448 WeakPolarHBondContact O-CB 3.16Å; L444-A448 PolarHBondContact O-N 3.18Å; A448-R450 PolarHBondContact O-N 3.47Å; A448-R450 VanDerWaalsContact O-N 3.12Å; A448-H451 WeakPolarHBondContact O-CB 3.1Å; A448-H451 PolarHBondContact O-N 3.4Å; A448-L452 PolarHBondContact O-N 2.57Å; A448-L452 VanDerWaalsContact O-N 3.15Å
449R84.8Confident74Confident127 Ų12782.8 Ų82.848%0.47942%0.417SS..Hα-helixtrans-58.2-24.2174.4-81.6-177.5-73.7178.9-6.6115T445 H447 L452 S453T445-R449 WeakPolarHBondContact O-CG 3.5Å; T445-R449 PolarHBondContact O-N 2.84Å; T445-R449 PolarHBondContact O-NE 3.21Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 3.09Å; R449-L452 HydrophobicContact CG-CD2 4.27Å; R449-S453 PolarHBondContact O-N 3.18Å; R449-S453 VanDerWaalsContact O-N 3.12Å; R449-S453 PolarHBondContact O-OG 3.07Å
450R82.8Confident72.5Confident182 Ų18285.2 Ų85.269%0.68743%0.425SS*.Hα-helixtrans-75.5-29.3173-6717856.9-179.4-3113.2H447 A448 S453 A454H447-R450 WeakPolarHBondContact O-CB 3.47Å; H447-R450 PolarHBondContact O-N 2.86Å; A448-R450 PolarHBondContact O-N 3.47Å; A448-R450 VanDerWaalsContact O-N 3.12Å; R450-S453 WeakPolarHBondContact CA-OG 3.4Å; R450-S453 PolarHBondContact O-OG 3.46Å; R450-A454 PolarHBondContact O-N 3.29Å
451H78Confident70.9Confident49 Ų4989.4 Ų89.423%0.22745%0.447CS..Hα-helixtrans-71.1-40.8171.1-67.5-75.6000110.9M433 C434 H447 A448 S453 A454 K455M433-H451 HydrophobicContact CB-CB 4.47Å; M433-H451 HydrophobicContact CE-CB 3.7Å; M433-H451 HydrophobicContact SD-CB 3.52Å; M433-H451 VanDerWaalsContact SD-CB 3.52Å; C434-H451 PolarHBondContact SG-NE2 2.78Å; C434-H451 VanDerWaalsContact SG-NE2 3.39Å; H447-H451 AromaticContact CD2-NE2 3.84Å; H447-H451 AromaticContact CE1-CD2 3.97Å; H447-H451 AromaticContact CE1-NE2 3.32Å; H447-H451 PolarHBondContact CE1-NE2 3.32Å; H447-H451 VanDerWaalsContact CE1-NE2 3.32Å; H447-H451 AromaticContact NE2-CD2 3.73Å; H447-H451 AromaticContact NE2-NE2 3.02Å; H447-H451 PolarHBondContact NE2-NE2 3.16Å; A448-H451 WeakPolarHBondContact O-CB 3.1Å; A448-H451 PolarHBondContact O-N 3.4Å; H451-S453 VanDerWaalsContact C-N 3.34Å; H451-S453 PolarHBondContact O-N 2.81Å; H451-A454 CarbonylContact O-C 3.55Å; H451-A454 WeakPolarHBondContact O-CA 3.5Å; H451-A454 PolarHBondContact O-N 3.31Å; H451-K455 PolarHBondContact O-N 3.08Å
452L69.4Low68.9Low34 Ų3493 Ų9318%0.17846%0.46CS..Hα-helixtrans-61.8-37.1174.7-81.536.9000112.6M433 A448 R449 A454 K455 W460M433-L452 HydrophobicContact CE-CD1 3.88Å; M433-L452 HydrophobicContact SD-CD1 4.19Å; A448-L452 PolarHBondContact O-N 2.57Å; A448-L452 VanDerWaalsContact O-N 3.15Å; R449-L452 HydrophobicContact CG-CD2 4.27Å; L452-A454 VanDerWaalsContact C-N 3.25Å; L452-A454 PolarHBondContact O-N 3.33Å; L452-K455 CarbonylContact O-C 3.26Å; L452-W460 HydrophobicContact CD1-CB 4.16Å; L452-W460 HydrophobicContact CD1-CG 4.39Å; L452-W460 HydrophobicContact CD2-CB 4Å; L452-W460 HydrophobicContact CD2-CD2 3.39Å; L452-W460 HydrophobicContact CD2-CE3 3.98Å; L452-W460 HydrophobicContact CD2-CG 3.39Å; L452-W460 HydrophobicContact CD2-CZ2 4.3Å; L452-W460 HydrophobicContact CG-CB 4.18Å; L452-W460 HydrophobicContact CG-CD2 4.41Å; L452-W460 HydrophobicContact CG-CG 3.9Å
453S66.2Low67.5Low102 Ų10296 Ų9671%0.71347%0.473SS*.THydrogen-bonded Turntrans-72.1-17.4172.355.60000113.8R449 R450 H451R449-S453 PolarHBondContact O-N 3.18Å; R449-S453 VanDerWaalsContact O-N 3.12Å; R449-S453 PolarHBondContact O-OG 3.07Å; R450-S453 WeakPolarHBondContact CA-OG 3.4Å; R450-S453 PolarHBondContact O-OG 3.46Å; H451-S453 VanDerWaalsContact C-N 3.34Å; H451-S453 PolarHBondContact O-N 2.81Å
454A62.1Low65.8Low81 Ų8193.6 Ų93.667%0.66946%0.463SS*.THydrogen-bonded Turntrans-96.1-23.5177.300000113.3R450 H451 L452R450-A454 PolarHBondContact O-N 3.29Å; H451-A454 CarbonylContact O-C 3.55Å; H451-A454 WeakPolarHBondContact O-CA 3.5Å; H451-A454 PolarHBondContact O-N 3.31Å; L452-A454 VanDerWaalsContact C-N 3.25Å; L452-A454 PolarHBondContact O-N 3.33Å
455K59.5Low64.2Low152 Ų15296.5 Ų96.566%0.66148%0.484SS*.SBendtrans-134.6110.7173.8-72.8-173.6175.1-177.40110H451 L452 L457H451-K455 PolarHBondContact O-N 3.08Å; L452-K455 CarbonylContact O-C 3.26Å; K455-L457 HydrophobicContact CB-CD1 4.35Å; K455-L457 HydrophobicContact CB-CG 4.47Å; K455-L457 PolarHBondContact O-N 2.81Å
456K48.5Very low62.7Low216 Ų216101.2 Ų101.294%0.93950%0.501SS*.  trans-59.796.2170.3-71.3-178.8178.3177.70109.7
457L50.7Low61.1Low110 Ų11097.1 Ų97.158%0.57648%0.484SS*.  trans-126.6124.6175.3-76.4170.9000109.9K455 N459K455-L457 HydrophobicContact CB-CD1 4.35Å; K455-L457 HydrophobicContact CB-CG 4.47Å; K455-L457 PolarHBondContact O-N 2.81Å; L457-N459 PolarHBondContact O-N 3.38Å
458P43.6Very low59.2Low131 Ų131100.4 Ų100.485%0.85150%0.503SS*.THydrogen-bonded Turntrans-81.5-11.1-163.730.6-36.4000115.5
459N48.5Very low57.5Low109 Ų109106.1 Ų106.158%0.58353%0.533SS*.THydrogen-bonded Turntrans-122.428.6-164.1-157.79.6000115.8L457 Q461L457-N459 PolarHBondContact O-N 3.38Å; N459-Q461 VanDerWaalsContact C-N 3.3Å; N459-Q461 PolarHBondContact O-N 3.24Å
460W52.8Low56Low90 Ų90105 Ų10534%0.34154%0.536SS..  trans-71.1-24178.573.9-90.4000113.9L452 M462 E463 V464L452-W460 HydrophobicContact CD1-CB 4.16Å; L452-W460 HydrophobicContact CD1-CG 4.39Å; L452-W460 HydrophobicContact CD2-CB 4Å; L452-W460 HydrophobicContact CD2-CD2 3.39Å; L452-W460 HydrophobicContact CD2-CE3 3.98Å; L452-W460 HydrophobicContact CD2-CG 3.39Å; L452-W460 HydrophobicContact CD2-CZ2 4.3Å; L452-W460 HydrophobicContact CG-CB 4.18Å; L452-W460 HydrophobicContact CG-CD2 4.41Å; L452-W460 HydrophobicContact CG-CG 3.9Å; W460-M462 VanDerWaalsContact C-N 3.29Å; W460-M462 PolarHBondContact O-N 3.27Å; W460-E463 PolarHBondContact O-N 3.45Å; W460-V464 HydrophobicContact CE3-CB 3.82Å; W460-V464 HydrophobicContact CE3-CG2 3.5Å; W460-V464 VanDerWaalsContact CE3-CG2 3.5Å; W460-V464 HydrophobicContact CZ3-CB 3.71Å; W460-V464 HydrophobicContact CZ3-CG1 4Å; W460-V464 HydrophobicContact CZ3-CG2 3.65Å; W460-V464 PolarHBondContact O-N 2.79Å; W460-V464 VanDerWaalsContact O-N 3.1Å
461Q48.4Very low54Low145 Ų14599.9 Ų99.968%0.67853%0.532SS*.Hα-helixtrans-71.4-24.6-166.4-167.6166.8-19.100112.7N459N459-Q461 VanDerWaalsContact C-N 3.3Å; N459-Q461 PolarHBondContact O-N 3.24Å
462M44.5Very low52.4Low123 Ų123103.8 Ų103.861%0.60655%0.554SS**Hα-helixtrans-74.6-27.2171.3-167.2-179.5-65.800112.6W460W460-M462 VanDerWaalsContact C-N 3.29Å; W460-M462 PolarHBondContact O-N 3.27Å
463E53.7Low51.2Low109 Ų109106.3 Ų106.351%0.50957%0.572SS.*Hα-helixtrans-93.1-28.3-173.4-168.1163.5-148.300113.2W460 S465 K466 L467W460-E463 PolarHBondContact O-N 3.45Å; E463-S465 PolarHBondContact O-N 3.14Å; E463-K466 WeakPolarHBondContact O-CB 3.31Å; E463-K466 PolarHBondContact O-N 2.98Å; E463-K466 VanDerWaalsContact O-N 3.15Å; E463-L467 PolarHBondContact O-N 2.93Å
464V52.6Low49.7Very low23 Ų23107.3 Ų107.314%0.13958%0.576CS.*Hα-helixtrans-67.8-23170.2162.20000112.8T445 W460 L467 N468T445-V464 HydrophobicContact CG2-CG1 4.29Å; W460-V464 HydrophobicContact CE3-CB 3.82Å; W460-V464 HydrophobicContact CE3-CG2 3.5Å; W460-V464 VanDerWaalsContact CE3-CG2 3.5Å; W460-V464 HydrophobicContact CZ3-CB 3.71Å; W460-V464 HydrophobicContact CZ3-CG1 4Å; W460-V464 HydrophobicContact CZ3-CG2 3.65Å; W460-V464 PolarHBondContact O-N 2.79Å; W460-V464 VanDerWaalsContact O-N 3.1Å; V464-L467 HydrophobicContact CG2-CD1 4Å; V464-L467 PolarHBondContact O-N 3.19Å; V464-N468 PolarHBondContact O-N 2.99Å; V464-N468 PolarHBondContact O-ND2 2.84Å
465S55.5Low48.6Very low66 Ų66109.5 Ų109.546%0.46258%0.581SS.*Hα-helixtrans-59.7-54.5165.6-59.40000110.4E463 L467 N468 D469E463-S465 PolarHBondContact O-N 3.14Å; S465-L467 PolarHBondContact O-N 3.3Å; S465-N468 WeakPolarHBondContact O-CA 3.27Å; S465-N468 WeakPolarHBondContact O-CB 3.28Å; S465-N468 PolarHBondContact O-N 3.32Å; S465-D469 PolarHBondContact O-N 3.42Å
466K55.7Low47.6Very low133 Ų133107.8 Ų107.858%0.57859%0.586SS**Hα-helixtrans-57.9-32.4177.1-58.1-178.6-178.2-178.90113E463 N468 D469 I470E463-K466 WeakPolarHBondContact O-CB 3.31Å; E463-K466 PolarHBondContact O-N 2.98Å; E463-K466 VanDerWaalsContact O-N 3.15Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 3.4Å; K466-D469 WeakPolarHBondContact CA-OD2 3.43Å; K466-D469 PolarHBondContact O-N 3.43Å; K466-I470 WeakPolarHBondContact O-CG1 3.31Å; K466-I470 PolarHBondContact O-N 3.33Å
467L53.5Low47.1Very low28 Ų28101.4 Ų101.415%0.14757%0.573CS.*Hα-helixtrans-69.8-19.9173.7-72.7172.4000114.4P432 L444 E463 V464 S465 I470P432-L467 HydrophobicContact CG-CD1 4.33Å; L444-L467 HydrophobicContact CD2-CD1 4.43Å; L444-L467 HydrophobicContact CD2-CD2 4.37Å; E463-L467 PolarHBondContact O-N 2.93Å; V464-L467 HydrophobicContact CG2-CD1 4Å; V464-L467 PolarHBondContact O-N 3.19Å; S465-L467 PolarHBondContact O-N 3.3Å; L467-I470 HydrophobicContact CD2-CD1 3.84Å
468N48.3Very low46.7Very low94 Ų94102 Ų10250%0.50358%0.584SS.*Hα-helixtrans-81.8-29169.3-65.4-54000111.8V464 S465 K466 I470V464-N468 PolarHBondContact O-N 2.99Å; V464-N468 PolarHBondContact O-ND2 2.84Å; S465-N468 WeakPolarHBondContact O-CA 3.27Å; S465-N468 WeakPolarHBondContact O-CB 3.28Å; S465-N468 PolarHBondContact O-N 3.32Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 3.4Å; N468-I470 PolarHBondContact O-N 3.31Å
469D49.4Very low46.8Very low125 Ų125102.5 Ų102.567%0.66859%0.585SS**SBendtrans-73.3-8.2177.1-55-43.6000113.1S465 K466 A471S465-D469 PolarHBondContact O-N 3.42Å; K466-D469 WeakPolarHBondContact CA-OD2 3.43Å; K466-D469 PolarHBondContact O-N 3.43Å; D469-A471 PolarHBondContact O-N 3.11Å
470I52Low46.5Very low104 Ų104109.9 Ų109.953%0.53362%0.615SS.*  trans-73.766168.2-48.7-176.2000110K466 L467 N468K466-I470 WeakPolarHBondContact O-CG1 3.31Å; K466-I470 PolarHBondContact O-N 3.33Å; L467-I470 HydrophobicContact CD2-CD1 3.84Å; N468-I470 PolarHBondContact O-N 3.31Å
471A41.3Very low46.2Very low73 Ų73110.9 Ų110.960%0.60363%0.629SS**  trans-105.197.6-176.300000111.5D469D469-A471 PolarHBondContact O-N 3.11Å
472L44.3Very low46.1Very low132 Ų132109.1 Ų109.169%0.69163%0.627SS**  trans66.5126.7165.4-64.9146000116.9
473P43.5Very low46.1Very low86 Ų86108.3 Ų108.356%0.55863%0.628SS**PPolyproline II helixtrans-63.9151.5153.131.3-33.9000109.1T475P473-T475 PolarHBondContact O-N 3.1Å
474P34.5Very low45.7Very low123 Ų123108.2 Ų108.280%0.79964%0.635SS**PPolyproline II helixtrans-58.2137.4-178.424.1-34000111.2
475T38.9Very low45.3Very low128 Ų128113.6 Ų113.679%0.78567%0.666SS**PPolyproline II helixtrans-64.9129.2170.8-35.10000108P473 A477P473-T475 PolarHBondContact O-N 3.1Å; T475-A477 PolarHBondContact O-N 2.92Å
476P40Very low44.6Very low116 Ų116116.7 Ų116.775%0.75368%0.679SS**PPolyproline II helixtrans-58.9136.3170.325.6-33.3000109
477A36.8Very low43.8Very low82 Ų82115.6 Ų115.668%0.67869%0.687SS**PPolyproline II helixtrans-62149.6177.100000110.4T475 T479T475-A477 PolarHBondContact O-N 2.92Å; A477-T479 PolarHBondContact O-N 3.17Å; A477-T479 VanDerWaalsContact O-N 3.16Å
478P43.5Very low43.1Very low123 Ų123122.3 Ų122.380%0.79973%0.728SS**  trans-65.4115.516928.4-32.4000108.6Q480P478-Q480 PolarHBondContact O-N 3.1Å
479T44.6Very low42.6Very low141 Ų141124.7 Ų124.787%0.86575%0.747SS**  trans-59.4130.6166.8-19.60000108.6A477A477-T479 PolarHBondContact O-N 3.17Å; A477-T479 VanDerWaalsContact O-N 3.16Å
480Q42.5Very low42Very low263 Ų263124.6 Ų124.6100%1.22975%0.754SS**  trans-82.10163.8-68.4-172.9-14.200109.7P478P478-Q480 PolarHBondContact O-N 3.1Å

Retrieved 480 of 480 residues in 306 ms (Link to these results)