A0A096LVL5_POEFO Loading...

Protein naked cuticle homolog

Cell autonomous antagonist of both the canonical and non-canonical Wnt signaling pathways. Cell autonomous antagonist of the canonical Wnt signaling pathway.

AlphaFold DB , UniProt , Accession A0A096LVL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 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
1M39.1Very low33.2Very low240 Ų240161 Ų161100%1.18285%0.854SS**  0159.10-64.1107.192.200109.2
2R31.4Very low32.5Very low241 Ų241165.6 Ų165.691%0.90985%0.85SS**PPolyproline II helixtrans-93.7138.5170.6-65.8-176.5-177.8-179.20.6109.3
3P38.6Very low32Very low127 Ų127161.9 Ų161.983%0.82583%0.832SS**PPolyproline II helixtrans-66.5140.6166.829.7-33.2000109.5
4S33.6Very low31.2Very low117 Ų117159.6 Ų159.682%0.81882%0.821SS**PPolyproline II helixtrans-83.5129175.7-174.70000109.6E6S4-E6 PolarHBondContact O-N 3.38Å
5A38.9Very low31Very low92 Ų92161.2 Ų161.276%0.7682%0.82SS**PPolyproline II helixtrans-65.2120172.300000109.9
6E35.1Very low30.4Very low192 Ų192161.1 Ų161.190%0.89782%0.823SS**PPolyproline II helixtrans-76.3123.9180-168.9165.5-162.200109.9S4 T8S4-E6 PolarHBondContact O-N 3.38Å; E6-T8 PolarHBondContact O-N 3.35Å
7K37.4Very low30.3Very low194 Ų194162.1 Ų162.184%0.84382%0.822SS**  trans-83.4110.1-175.4-72.4-179.6178.8175.30110.1
8T33.3Very low29.8Very low124 Ų124159.6 Ų159.676%0.76182%0.823SS**  trans-56130.4169.648.20000110.6E6 K10E6-T8 PolarHBondContact O-N 3.35Å; T8-K10 PolarHBondContact O-N 3.33Å
9P25.9Very low30.2Very low119 Ų119157.8 Ų157.877%0.77382%0.822SS**  trans-74.792-173.528.5-34.6000111V11P9-V11 PolarHBondContact O-N 2.85Å
10K27.4Very low30.1Very low204 Ų204157.4 Ų157.489%0.88782%0.815SS**  trans-7586.4177.7-153.1165.9-167.9168.10110.1T8 R12T8-K10 PolarHBondContact O-N 3.33Å; K10-R12 PolarHBondContact O-N 3.39Å
11V24.9Very low30.1Very low121 Ų121160.1 Ų160.173%0.73382%0.815SS**  trans-62.698.4-176.1-174.60000110.7P9 I13P9-V11 PolarHBondContact O-N 2.85Å; V11-I13 HydrophobicContact CG1-CG1 3.95Å; V11-I13 PolarHBondContact O-N 3.23Å
12R23.9Very low29.7Very low216 Ų216158 Ų15882%0.81579%0.794SS**  trans-91.393.1177.8-172.1175.9-173.8155.24.7110.1K10 N14K10-R12 PolarHBondContact O-N 3.39Å; R12-N14 PolarHBondContact O-N 3.18Å
13I25.8Very low30.1Very low118 Ų118154.6 Ų154.661%0.60579%0.793SS**  trans-76.1117.3175.1-56.2-176.7000109V11 F15V11-I13 HydrophobicContact CG1-CG1 3.95Å; V11-I13 PolarHBondContact O-N 3.23Å; I13-F15 HydrophobicContact CG2-CD2 3.35Å; I13-F15 HydrophobicContact CG2-CE2 3.27Å; I13-F15 HydrophobicContact CG2-CG 4.26Å; I13-F15 HydrophobicContact CG2-CZ 4.13Å
14N21.8Very low29.9Very low129 Ų129152 Ų15269%0.6978%0.783SS**  trans-106.7133.6162.2-57.6-43.4000107.1R12R12-N14 PolarHBondContact O-N 3.18Å
15F27.5Very low29.8Very low184 Ų184148.7 Ų148.781%0.80777%0.767SS**  trans-129.1139.9168.8-81.6-56.4000111.4I13I13-F15 HydrophobicContact CG2-CD2 3.35Å; I13-F15 HydrophobicContact CG2-CE2 3.27Å; I13-F15 HydrophobicContact CG2-CG 4.26Å; I13-F15 HydrophobicContact CG2-CZ 4.13Å
16D21.4Very low29.8Very low160 Ų160148 Ų14886%0.85676%0.762SS**  trans-82.6154.7-178.3-160.4-2.6000111.1
17H29.8Very low29.7Very low177 Ų177145.3 Ų145.382%0.81975%0.753SS**  trans-88.5118.7-175.4-83.843.4000112.1
18S21.4Very low29.6Very low118 Ų118142.4 Ų142.483%0.82574%0.742SS**  trans-145.2104.8165.2-169.20000111
19P36Very low29.9Very low125 Ų125140.7 Ų140.781%0.81273%0.727SS**  trans-99.697.4-16935.2-32000113.2
20H27.8Very low30.5Very low149 Ų149140.7 Ų140.769%0.6972%0.72SS**  trans-159.5102.4164.3-153.9-104.2000116
21W30.5Very low31.2Very low215 Ų215133.9 Ų133.981%0.81470%0.698SS**  trans-154165.3147.443.4-89.9000110.7
22R30.7Very low32Very low196 Ų196132 Ų13274%0.7468%0.683SS**  trans-127.7148.6-168.9-62.2-176-173.51792.4112
23L39.6Very low32.9Very low169 Ų169129.2 Ų129.289%0.88567%0.673SS**  trans44.4101.3156.4-84.271.9000117.3
24A36.2Very low33.7Very low74 Ų74127.9 Ų127.961%0.61267%0.666SS**  trans-89.8154.9148.200000110.4
25G31.1Very low35.2Very low47 Ų47126 Ų12649%0.48566%0.655SS.*  trans-69.6156.5-17400000115.3D27 Q28 M29G25-D27 PolarHBondContact O-N 2.95Å; G25-Q28 PolarHBondContact O-N 3.16Å; G25-M29 PolarHBondContact O-N 3.38Å
26A37.3Very low36.2Very low78 Ų78119.1 Ų119.165%0.64563%0.632SS**Hα-helixtrans-61.8-35-172.100000114.5M29 L30A26-M29 WeakPolarHBondContact O-CB 3.44Å; A26-M29 PolarHBondContact O-N 3.11Å; A26-L30 PolarHBondContact O-N 3.32Å
27D33.6Very low37.4Very low135 Ų135117 Ų11772%0.72262%0.619SS**Hα-helixtrans-67.9-36.6179.8-60.8-73.7000113G25 M29 L30 S31G25-D27 PolarHBondContact O-N 2.95Å; D27-M29 VanDerWaalsContact C-N 3.31Å; D27-M29 PolarHBondContact O-N 3.27Å; D27-L30 PolarHBondContact O-N 2.63Å; D27-L30 VanDerWaalsContact O-N 3.15Å; D27-S31 PolarHBondContact O-N 3.39Å
28Q36.6Very low37.8Very low132 Ų132117 Ų11762%0.61761%0.612SS**Hα-helixtrans-60.7-44.6173.1-66.1-84.375.700110.2G25 L30 S31 L32G25-Q28 PolarHBondContact O-N 3.16Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.31Å; Q28-S31 PolarHBondContact O-N 3.07Å; Q28-L32 PolarHBondContact O-N 3.33Å
29M39.3Very low38.8Very low88 Ų88116.1 Ų116.143%0.43360%0.597SS.*Hα-helixtrans-63.4-34.1175-74.2-67.9-69.700112.6G25 A26 D27 R33G25-M29 PolarHBondContact O-N 3.38Å; A26-M29 WeakPolarHBondContact O-CB 3.44Å; A26-M29 PolarHBondContact O-N 3.11Å; D27-M29 VanDerWaalsContact C-N 3.31Å; D27-M29 PolarHBondContact O-N 3.27Å; M29-R33 VanDerWaalsContact O-CB 3.24Å; M29-R33 WeakPolarHBondContact O-CB 3.46Å; M29-R33 WeakPolarHBondContact O-CD 3.34Å; M29-R33 WeakPolarHBondContact O-CG 3.44Å; M29-R33 PolarHBondContact O-N 3.42Å
30L38.9Very low38.9Very low119 Ų119116.2 Ų116.262%0.62359%0.585SS**Hα-helixtrans-71.1-41177.7-14975.6000111.6A26 D27 Q28 R33 L34A26-L30 PolarHBondContact O-N 3.32Å; D27-L30 PolarHBondContact O-N 2.63Å; D27-L30 VanDerWaalsContact O-N 3.15Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.31Å; L30-R33 PolarHBondContact O-N 3.3Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 2.93Å
31S40.5Very low39.2Very low62 Ų62114.2 Ų114.243%0.43458%0.579SS.*Hα-helixtrans-63-50.6174.6-171.70000111.9D27 Q28 R33 L34 I35D27-S31 PolarHBondContact O-N 3.39Å; Q28-S31 PolarHBondContact O-N 3.07Å; S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 3.35Å; S31-L34 PolarHBondContact O-N 3.46Å; S31-L34 VanDerWaalsContact O-N 3.09Å; S31-I35 WeakPolarHBondContact O-CG1 3.11Å; S31-I35 PolarHBondContact O-N 3.06Å
32L42.6Very low39.3Very low80 Ų80112.6 Ų112.642%0.41957%0.573SS.*Hα-helixtrans-59.8-41.1176.3-85.7158.3000112.3Q28 I35 A36 T178Q28-L32 PolarHBondContact O-N 3.33Å; L32-I35 PolarHBondContact O-N 2.97Å; L32-A36 WeakPolarHBondContact O-CB 3.46Å; L32-A36 PolarHBondContact O-N 3.45Å; L32-T178 HydrophobicContact CD2-CG2 4.4Å
33R41.7Very low39.7Very low158 Ų158107.5 Ų107.560%0.59656%0.563SS**Hα-helixtrans-64.5-38.1173.5-77.2171.9175.8-167.4-1.9112.6M29 L30 S31 A36 M37M29-R33 VanDerWaalsContact O-CB 3.24Å; M29-R33 WeakPolarHBondContact O-CB 3.46Å; M29-R33 WeakPolarHBondContact O-CD 3.34Å; M29-R33 WeakPolarHBondContact O-CG 3.44Å; M29-R33 PolarHBondContact O-N 3.42Å; L30-R33 PolarHBondContact O-N 3.3Å; S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 3.35Å; R33-A36 PolarHBondContact O-N 3.09Å; R33-M37 VanDerWaalsContact O-CB 3.29Å; R33-M37 WeakPolarHBondContact O-CB 3.29Å; R33-M37 VanDerWaalsContact O-CG 3.31Å; R33-M37 WeakPolarHBondContact O-CG 3.03Å; R33-M37 PolarHBondContact O-N 2.92Å
34L43.7Very low39.4Very low90 Ų90103.3 Ų103.347%0.47155%0.548SS..Hα-helixtrans-69.9-35.6177.4-167.967.8000111.9L30 S31 R38L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 2.93Å; S31-L34 PolarHBondContact O-N 3.46Å; S31-L34 VanDerWaalsContact O-N 3.09Å; L34-R38 WeakPolarHBondContact O-CB 3.36Å; L34-R38 VanDerWaalsContact O-CG 3.25Å; L34-R38 WeakPolarHBondContact O-CG 3.31Å; L34-R38 PolarHBondContact O-N 2.87Å
35I52.3Low39.4Very low90 Ų90102.5 Ų102.546%0.46255%0.546SS..Hα-helixtrans-66.7-49.4172.7-67.1164.4000110.1S31 L32 M37 R38 L39S31-I35 WeakPolarHBondContact O-CG1 3.11Å; S31-I35 PolarHBondContact O-N 3.06Å; L32-I35 PolarHBondContact O-N 2.97Å; I35-M37 PolarHBondContact O-N 2.85Å; I35-R38 PolarHBondContact O-N 3.37Å; I35-R38 VanDerWaalsContact O-N 3.14Å; I35-L39 HydrophobicContact CG2-CD1 4.08Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.24Å
36A49.7Very low39.6Very low39 Ų39106.3 Ų106.332%0.32256%0.556SS.*Hα-helixtrans-59.3-43.217600000112.1L32 R33 L39 F40L32-A36 WeakPolarHBondContact O-CB 3.46Å; L32-A36 PolarHBondContact O-N 3.45Å; R33-A36 PolarHBondContact O-N 3.09Å; A36-L39 PolarHBondContact O-N 3.49Å; A36-F40 VanDerWaalsContact O-CB 3.3Å; A36-F40 WeakPolarHBondContact O-CB 3.22Å; A36-F40 PolarHBondContact O-N 3.23Å
37M45.2Very low39.2Very low115 Ų115105.7 Ų105.757%0.56755%0.547SS*.Hα-helixtrans-63.4-40.6173.2-79.5-173.671.400112.3R33 I35 F40 L41R33-M37 VanDerWaalsContact O-CB 3.29Å; R33-M37 WeakPolarHBondContact O-CB 3.29Å; R33-M37 VanDerWaalsContact O-CG 3.31Å; R33-M37 WeakPolarHBondContact O-CG 3.03Å; R33-M37 PolarHBondContact O-N 2.92Å; I35-M37 PolarHBondContact O-N 2.85Å; M37-F40 PolarHBondContact O-N 2.99Å; M37-L41 WeakPolarHBondContact O-CB 3.06Å; M37-L41 VanDerWaalsContact O-CD1 3.25Å; M37-L41 WeakPolarHBondContact O-CD1 3.31Å; M37-L41 PolarHBondContact O-N 3.31Å
38R39.8Very low39Very low179 Ų179107.8 Ų107.868%0.67555%0.55SS*.Hα-helixtrans-65.9-37.5176.6-78.7173.4176.2-171-0.8112.3L34 I35 R42L34-R38 WeakPolarHBondContact O-CB 3.36Å; L34-R38 VanDerWaalsContact O-CG 3.25Å; L34-R38 WeakPolarHBondContact O-CG 3.31Å; L34-R38 PolarHBondContact O-N 2.87Å; I35-R38 PolarHBondContact O-N 3.37Å; I35-R38 VanDerWaalsContact O-N 3.14Å; R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.17Å; R38-R42 PolarHBondContact O-N 3.17Å
39L41.9Very low39Very low99 Ų99108.7 Ų108.752%0.51856%0.564SS.*Hα-helixtrans-65.8-45.5172.3-68.3168.3000111.1I35 A36 R42 V43I35-L39 HydrophobicContact CG2-CD1 4.08Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.24Å; A36-L39 PolarHBondContact O-N 3.49Å; L39-R42 PolarHBondContact O-N 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.83Å
40F37.3Very low38.3Very low126 Ų126110.3 Ų110.355%0.55358%0.578SS**Hα-helixtrans-66.7-39.8179.4-167.1-91.8000113.1A36 M37 R42 V43 S44A36-F40 VanDerWaalsContact O-CB 3.3Å; A36-F40 WeakPolarHBondContact O-CB 3.22Å; A36-F40 PolarHBondContact O-N 3.23Å; M37-F40 PolarHBondContact O-N 2.99Å; F40-R42 VanDerWaalsContact C-N 3.34Å; F40-V43 PolarHBondContact O-N 3.34Å; F40-S44 WeakPolarHBondContact O-CB 3.34Å; F40-S44 PolarHBondContact O-N 2.81Å; F40-S44 PolarHBondContact O-OG 2.81Å
41L34Very low37.6Very low107 Ų107111.6 Ų111.656%0.5659%0.586SS**Hα-helixtrans-68.5-31.9173.4-9471.7000111.9M37 S44 G45M37-L41 WeakPolarHBondContact O-CB 3.06Å; M37-L41 VanDerWaalsContact O-CD1 3.25Å; M37-L41 WeakPolarHBondContact O-CD1 3.31Å; M37-L41 PolarHBondContact O-N 3.31Å; L41-S44 CarbonylContact O-C 3.46Å; L41-S44 PolarHBondContact O-N 2.82Å; L41-G45 PolarHBondContact O-N 2.91Å
42R33.8Very low37.4Very low182 Ų182112.5 Ų112.569%0.68760%0.597SS**Hα-helixtrans-68.7-42.7173.7-166.8170.7-170.2159.33.6111.8R38 L39 F40 S44 G45 D46R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.17Å; R38-R42 PolarHBondContact O-N 3.17Å; L39-R42 PolarHBondContact O-N 3.29Å; F40-R42 VanDerWaalsContact C-N 3.34Å; R42-S44 PolarHBondContact O-N 3.04Å; R42-G45 PolarHBondContact O-N 3.09Å; R42-D46 PolarHBondContact O-N 2.97Å
43V38Very low36.9Very low89 Ų89118.4 Ų118.454%0.53962%0.62SS.*Hα-helixtrans-60.2-32.5169.6171.30000111.7L39 F40 G45L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 2.83Å; F40-V43 PolarHBondContact O-N 3.34Å; V43-G45 VanDerWaalsContact C-N 3.32Å
44S34.9Very low36.7Very low81 Ų81118.8 Ų118.857%0.56663%0.633SS**THydrogen-bonded Turntrans-80.4-7.3174.4-52.10000114.4F40 L41 R42F40-S44 WeakPolarHBondContact O-CB 3.34Å; F40-S44 PolarHBondContact O-N 2.81Å; F40-S44 PolarHBondContact O-OG 2.81Å; L41-S44 CarbonylContact O-C 3.46Å; L41-S44 PolarHBondContact O-N 2.82Å; R42-S44 PolarHBondContact O-N 3.04Å
45G34.4Very low36.4Very low56 Ų56126.3 Ų126.358%0.57766%0.655SS**THydrogen-bonded Turntrans-94.9-43.5179.800000112.8L41 R42 V43 S47L41-G45 PolarHBondContact O-N 2.91Å; R42-G45 PolarHBondContact O-N 3.09Å; V43-G45 VanDerWaalsContact C-N 3.32Å; G45-S47 PolarHBondContact O-N 3.32Å
46D35.2Very low35.6Very low128 Ų128134.3 Ų134.368%0.68468%0.679SS**SBendtrans-96.251.6-173.6-65.6-41.2000112.5R42R42-D46 PolarHBondContact O-N 2.97Å
47S29.6Very low34.8Very low65 Ų65136.1 Ų136.146%0.45570%0.701SS.*SBendtrans-156.6108.1171.1-85.60000114.9G45G45-S47 PolarHBondContact O-N 3.32Å
48F30.6Very low34.3Very low179 Ų179139.3 Ų139.379%0.78572%0.717SS**  trans51.2126162.315-88.3000120.5V50F48-V50 PolarHBondContact O-N 3.4Å
49V34.6Very low34.2Very low150 Ų150139.8 Ų139.891%0.90973%0.727SS**  trans-66.898.1160.4179.10000109.4
50V26Very low34Very low122 Ų122143.3 Ų143.374%0.73974%0.741SS**PPolyproline II helixtrans-91.8130.6158.7177.20000108.1F48F48-V50 PolarHBondContact O-N 3.4Å
51N24.5Very low33.7Very low147 Ų147143.6 Ų143.679%0.78676%0.757SS**PPolyproline II helixtrans-59.6143.8-171.1-166.110.5000112.5F53N51-F53 PolarHBondContact O-N 2.87Å
52A35.6Very low33.5Very low80 Ų80146.8 Ų146.866%0.66177%0.769SS**PPolyproline II helixtrans-76.7123.1-168.500000112.8
53F31.2Very low33.7Very low205 Ų205147.2 Ų147.290%0.89977%0.771SS**  trans-144.621161.9-114.5-72.2000115.4N51N51-F53 PolarHBondContact O-N 2.87Å
54L38.9Very low33.3Very low166 Ų166153.3 Ų153.387%0.86979%0.786SS**SBendtrans-123.672.1176.8-70.4176.4000112.4
55R36.3Very low33Very low248 Ų248154.4 Ų154.494%0.93679%0.793SS**  trans172.681.7149.9-94.3157.8-153.3-83.92.3112.9
56R36Very low32.9Very low258 Ų258156.1 Ų156.197%0.97480%0.802SS**SBendtrans-157.2133.9150.3177.4165.8-85.5-153.5-6108.6
57G32.6Very low32.8Very low76 Ų76156.8 Ų156.878%0.78481%0.811SS**  trans103.675.9-176.700000113.3
58M35.2Very low33.1Very low183 Ų183160.2 Ų160.290%0.90182%0.824SS**  trans-142.232.4167-155.3-163.780.500111.2
59E38.4Very low33.1Very low189 Ų189160.9 Ų160.988%0.88383%0.829SS**SBendtrans-140.1154.6175.8-66.6-177.6-120.200108
60E37.4Very low33.1Very low172 Ų172162.7 Ų162.780%0.80483%0.825SS**  trans58.999.1-167.6-69.6-137.2115.900117.4R63E60-R63 IonicContact OE1-NH2 3.92Å
61C29.4Very low33.6Very low133 Ų133164.4 Ų164.490%0.89983%0.829SS**  -15973.7121.8-164.50000110.6
62E31.5Very low34Very low174 Ų174166.6 Ų166.681%0.81383%0.831SS**  trans-11991.6171-175.1175.8-148.600110
63R36.9Very low33.6Very low191 Ų191170.5 Ų170.572%0.72184%0.841SS**  trans177.1162.3150.9-100.7156.3-67.6147.76.9111.7E60E60-R63 IonicContact OE1-NH2 3.92Å
64Y29.5Very low33.7Very low217 Ų217169 Ų16985%0.85184%0.839SS**  trans82107.8172.9-72.5-77.3000119.7
65S28.8Very low33.3Very low103 Ų103169.6 Ų169.672%0.7284%0.837SS**  trans-23.4143.7156.4-400000116.2
66A33.3Very low32.8Very low93 Ų93165.2 Ų165.277%0.76983%0.828SS**  cis67.29244.700000114.8
67T33.3Very low32.5Very low142 Ų142162.2 Ų162.287%0.87182%0.822SS**  trans-152.5137.2143.616.90000110
68D34.8Very low32.8Very low137 Ų137163.9 Ų163.973%0.73382%0.819SS**  trans-75.4152.2169-159.8-45.4000109.9
69H30.6Very low32.4Very low192 Ų192162.4 Ų162.489%0.88982%0.815SS**  trans-167.3105.5151.1-96.6-48.4000112.7
70K36Very low31.9Very low188 Ų188158.3 Ų158.382%0.81781%0.813SS**  trans-99.1138161.8177.8-173.9-175.7178.70109.7
71L35.4Very low31.6Very low159 Ų159158.9 Ų158.983%0.83282%0.816SS**  trans-172.1160.6142.9-104.7169.2000114.7
72K33.3Very low31.8Very low192 Ų192159.8 Ų159.884%0.83581%0.811SS**  trans-65.8155.4-169.1-53.5158.4177177.90115.6
73N26.7Very low31.9Very low163 Ų163161.3 Ų161.387%0.87282%0.815SS**  -151168114.2-153.20.7000111.6
74M34.6Very low31.4Very low172 Ų172160.1 Ų160.185%0.84782%0.818SS**  trans-135.1122.1-179.3-81.7-17957.500112.7
75Q29.5Very low31.4Very low179 Ų179153.7 Ų153.784%0.83682%0.817SS**  trans-170.4138.1153.7-148.1162.65.600107.6
76E24.9Very low31.4Very low157 Ų157155.5 Ų155.573%0.73481%0.814SS**  cis-163.3-162.8-15.7-175.5144.5-138.100109.2
77F30.4Very low31.1Very low195 Ų195158.6 Ų158.686%0.85581%0.81SS**  trans-123.3168.1-175.4-78.3-72.1000111.6
78P40.2Very low31Very low110 Ų110157.6 Ų157.671%0.71480%0.804SS**  cis-138.6170.216.143.2-25.7000118.5
79N25.3Very low30.9Very low153 Ų153157.1 Ų157.182%0.81880%0.802SS**  trans33.2109.6150.9-92.1-53.6000121.5
80A28.7Very low31Very low102 Ų102156.9 Ų156.984%0.84380%0.801SS**  trans-149.7111.5140.600000109.1L82A80-L82 PolarHBondContact O-N 3.21Å
81E30.4Very low30.8Very low184 Ų184155.7 Ų155.786%0.8680%0.798SS**  trans-93.195.9180-172.4174.4-165.300110.6
82L34Very low30.4Very low152 Ų152153.7 Ų153.780%0.79680%0.796SS**  trans-136.5116.8168.8-163.873.6000109.8A80 E84A80-L82 PolarHBondContact O-N 3.21Å; L82-E84 PolarHBondContact O-N 2.92Å
83K33.2Very low30.9Very low206 Ų206149.7 Ų149.790%0.89679%0.789SS**  trans-80.8110.4171-79.1-175.3175.51800109.5
84E26.4Very low31.3Very low167 Ų167150 Ų15078%0.7879%0.791SS**  trans-130.9128.1161-169156.8-137.200109.1L82L82-E84 PolarHBondContact O-N 2.92Å
85G29.6Very low31.6Very low81 Ų81150 Ų15084%0.83579%0.788SS**  trans-141106.1-174.100000110
86Q29.7Very low31.9Very low141 Ų141147 Ų14766%0.65978%0.782SS**  trans-136.1140.2179.7-135.5176.37.100105.4
87F26.8Very low32.5Very low158 Ų158146.4 Ų146.469%0.69378%0.782SS**  cis-147.8169.739.6-96.9-90.8000113.7
88T31.1Very low32.8Very low121 Ų121143.9 Ų143.974%0.74278%0.777SS**  trans54.1107.316251.20000116.8
89D32.5Very low32.8Very low127 Ų127144.6 Ų144.668%0.67978%0.781SS**  63.497.862.9-170.628.5000114.6H91D89-H91 PolarHBondContact OD1-N 3.4Å
90Q32.2Very low33.3Very low188 Ų188145.1 Ų145.188%0.87978%0.779SS**  -143.799.9121.6-76.1-156.327.300108.8
91H32.3Very low33.8Very low163 Ų163148.1 Ų148.176%0.75578%0.776SS**  trans-83.6129.7169.1-98.3-94.8000111.7D89D89-H91 PolarHBondContact OD1-N 3.4Å
92C27.7Very low33.9Very low116 Ų116146.6 Ų146.678%0.78477%0.766SS**  trans-128.388.6161.7-76.50000109.6L94C92-L94 PolarHBondContact O-N 3.29Å
93P41.8Very low34.2Very low108 Ų108143.6 Ų143.670%0.70176%0.763SS**  trans-76.9118.8172.54.811.8000109.6E95P93-E95 PolarHBondContact O-N 2.88Å
94L35.4Very low34.3Very low171 Ų171141.7 Ų141.790%0.89576%0.758SS**  trans-82.192.2168.5-83.6163.4000109.4C92 V96C92-L94 PolarHBondContact O-N 3.29Å; L94-V96 PolarHBondContact O-N 2.69Å
95E41.8Very low34.5Very low170 Ų170137.3 Ų137.379%0.79476%0.757SS**  trans-75.6104.8175.8-173.9169.4-158.700110.6P93 I97P93-E95 PolarHBondContact O-N 2.88Å; E95-I97 HydrophobicContact CG-CG1 4.36Å; E95-I97 PolarHBondContact O-N 2.88Å
96V35.1Very low34.7Very low118 Ų118139.2 Ų139.272%0.71576%0.756SS**  trans-88.696.9175.5-179.10000109.1L94 L98L94-V96 PolarHBondContact O-N 2.69Å; V96-L98 PolarHBondContact O-N 3.45Å; V96-L98 VanDerWaalsContact O-N 3.14Å
97I37.7Very low35.1Very low143 Ų143141.3 Ų141.373%0.73377%0.766SS**  trans-71.3104.8172.4-56176.1000108.6E95E95-I97 HydrophobicContact CG-CG1 4.36Å; E95-I97 PolarHBondContact O-N 2.88Å
98L37.8Very low35.4Very low143 Ų143139.3 Ų139.375%0.74977%0.772SS**PPolyproline II helixtrans-69.9135.1169.7-69172.1000110V96 Q100V96-L98 PolarHBondContact O-N 3.45Å; V96-L98 VanDerWaalsContact O-N 3.14Å; L98-Q100 PolarHBondContact O-N 3.36Å
99P40.1Very low35.6Very low124 Ų124144.4 Ų144.481%0.80578%0.779SS**PPolyproline II helixtrans-55.6135.2165.2-23.834.6000110.4E101P99-E101 PolarHBondContact O-N 2.89Å
100Q35.5Very low36.1Very low164 Ų164146 Ų14677%0.76679%0.787SS**PPolyproline II helixtrans-64.1117.3-172.1-175.2-179.38.800111.9L98 K102L98-Q100 PolarHBondContact O-N 3.36Å; Q100-K102 PolarHBondContact O-N 3.02Å
101E38.9Very low36.3Very low166 Ų166144.8 Ų144.878%0.77678%0.781SS**PPolyproline II helixtrans-58.9119.8166.4-173.5-169.1138.100109.7P99P99-E101 PolarHBondContact O-N 2.89Å
102K33Very low36.3Very low152 Ų152147.5 Ų147.566%0.66179%0.786SS**  trans-108.386.4167.3-71.5-164.9175.6-167.40109.6Q100 E104Q100-K102 PolarHBondContact O-N 3.02Å; K102-E104 PolarHBondContact O-N 3.07Å; K102-E104 VanDerWaalsContact O-N 3.08Å
103A39.8Very low36.6Very low88 Ų88149.9 Ų149.973%0.72779%0.79SS**  trans-69.995.5164.100000109.1
104E34.6Very low36.1Very low167 Ų167152.9 Ų152.978%0.7880%0.795SS**  trans-139.7108.3-176.9-165.2158.1-139.900110.9K102K102-E104 PolarHBondContact O-N 3.07Å; K102-E104 VanDerWaalsContact O-N 3.08Å
105G30.3Very low35.9Very low74 Ų74149.3 Ų149.376%0.76378%0.784SS**  trans77.194.6161.300000118.6
106C35.1Very low35.2Very low122 Ų122151.2 Ų151.282%0.82479%0.792SS**SBend-64.6169.3129.5-66.30000109.1
107E37.5Very low35Very low185 Ų185153.2 Ų153.286%0.86480%0.799SS**  trans82.655.2-174.6-51.6-54.6129.500117
108S32.5Very low34.7Very low116 Ų116149 Ų14981%0.81179%0.791SS**  trans-154.178.8147.7-145.30000113.7
109Y35.6Very low34.6Very low227 Ų227149.9 Ų149.989%0.8979%0.791SS**  trans-136.534.5172.8-152.7-95.7000113.4
110L43Very low34.3Very low162 Ų162153.3 Ų153.385%0.84879%0.794SS**SBendtrans-143.344.6176.2-79-176.1000113.6
111Q37.5Very low34.1Very low162 Ų162153.6 Ų153.676%0.75780%0.795SS**SBendtrans-147.861.7173-16165.275.700114.3
112Y31Very low34.1Very low219 Ų219150.5 Ų150.586%0.85979%0.79SS**  trans-16767.6147.3-105.4-66.4000111.3
113L34.7Very low33.9Very low167 Ų167149.7 Ų149.787%0.87479%0.792SS**  trans-121.584164.3-77.7-179.7000109.8
114H31.4Very low33.7Very low171 Ų171156.8 Ų156.879%0.79280%0.8SS**  trans-167.8137169.7-105-73.8000106.3
115S30.7Very low33.4Very low95 Ų95156.4 Ų156.466%0.66480%0.803SS**  cis-167.8126.6-20-97.50000105.9
116E26.6Very low33.3Very low210 Ų210156.3 Ų156.398%0.98180%0.795SS**  trans-136137.9156.6-74.4-155.6110.700110.7
117D31.3Very low33Very low160 Ų160156 Ų15686%0.85679%0.789SS**  trans-140.1142.9-179.9165.339.9000105.5
118G31.3Very low32.8Very low55 Ų55155.8 Ų155.857%0.56779%0.786SS**  trans138.390.717500000116.8
119E35.1Very low32.9Very low161 Ų161156.5 Ų156.575%0.75279%0.785SS**  trans-18.3136.7148.7-41.4-62.995.200115.8
120K35Very low32.6Very low196 Ų196150.9 Ų150.985%0.85278%0.779SS**  trans176.4111.9140-96155.4-132.587.50114.6
121E30.8Very low32.5Very low170 Ų170146.9 Ų146.979%0.79478%0.777SS**  trans-76.4172.2145.8-88.4-75.3125.100109.6
122P38.4Very low32.4Very low102 Ų102148.1 Ų148.166%0.66278%0.78SS**  cis-140.8178.813.644.1-26.4000118.3
123L30.5Very low32.8Very low135 Ų135147.7 Ų147.771%0.70778%0.782SS**  trans62.2112.9141.1-176.370.7000120.5
124R34.8Very low32.8Very low237 Ų237150.9 Ų150.989%0.89478%0.783SS**  -168.3166.5112.544.8-163.8144.3-918113.8
125D28Very low33Very low159 Ų159150 Ų15085%0.8578%0.783SS**  trans-103.4-179-153.9-164.53000113.9
126A29.4Very low33.1Very low72 Ų72149 Ų14960%0.59578%0.776SS**  trans92.8100.9153.300000120.4
127T28Very low33.8Very low115 Ų115145.9 Ų145.971%0.70677%0.77SS**  97.6126.4116.1-62.60000120.7
128K33Very low34.1Very low181 Ų181144.7 Ų144.779%0.78776%0.764SS**  trans75.4103.9155.5-80164.5-162.9170.90121.4
129T34.2Very low34.3Very low130 Ų130149.2 Ų149.280%0.79878%0.775SS**  45.1111.7124.760.60000120.5
130S29.9Very low34.8Very low110 Ų110146.8 Ų146.877%0.76977%0.771SS**  -159.3147.8113.658.90000111.1
131G40.1Very low34.6Very low77 Ų77146.2 Ų146.279%0.79477%0.771SS**  trans-84.6121.2178.900000111.9
132K35.7Very low34.8Very low188 Ų188142.8 Ų142.882%0.81777%0.765SS**  trans-154.7101163.1-99.2148-174.51780108.3R134K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 2.91Å
133K40.4Very low34.7Very low211 Ų211144 Ų14492%0.91777%0.766SS**  trans-69.991.9167.8-72.8-174.7178.3-178.20107.8I135K133-I135 PolarHBondContact O-N 2.8Å
134R33.3Very low34.9Very low233 Ų233142 Ų14288%0.87976%0.759SS**  trans-58.4118.8165.8-73.9176.564.4-171.3-0.8107K132 S136K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 2.91Å; R134-S136 PolarHBondContact O-N 2.81Å
135I35.7Very low35Very low154 Ų154134.6 Ų134.679%0.7974%0.744SS**  trans-63.4127.3169.2-46.7174.5000105.9K133 V137K133-I135 PolarHBondContact O-N 2.8Å; I135-V137 PolarHBondContact O-N 3.01Å
136S33.3Very low35.8Very low74 Ų74135.1 Ų135.152%0.51775%0.745SS.*  trans-71.6114.7179-168.10000108.8R134 N138R134-S136 PolarHBondContact O-N 2.81Å; S136-N138 PolarHBondContact O-N 3.07Å
137V41.4Very low36.2Very low144 Ų144138.8 Ų138.887%0.87375%0.751SS**THydrogen-bonded Turntrans-82.247-179.5-163.70000109.7I135I135-V137 PolarHBondContact O-N 3.01Å
138N36.9Very low36.8Very low135 Ų135141 Ų14172%0.72276%0.758SS**THydrogen-bonded Turntrans-141.5-0.5-170.4-143.6113.9000113.5S136S136-N138 PolarHBondContact O-N 3.07Å
139D37.3Very low37.2Very low150 Ų150136.7 Ų136.780%0.80274%0.743SS**SBendtrans-116.39.1173.7-81.1-67.7000112.2
140V44.9Very low37.6Very low109 Ų109138.1 Ų138.166%0.66175%0.746SS**  trans-130.755.4177.9-157.90000109.3C142V140-C142 PolarHBondContact O-N 3.27Å
141E31.3Very low38.6Very low184 Ų184137.9 Ų137.986%0.8673%0.729SS**  trans-70.279.8170.2-171.2170.2-161.100109.1D143E141-D143 PolarHBondContact O-N 2.87Å
142C35Very low39.1Very low98 Ų98139.3 Ų139.366%0.66272%0.715SS**  trans-72.877.5170.1-74.40000109.8V140 V144V140-C142 PolarHBondContact O-N 3.27Å; C142-V144 HydrophobicContact CB-CG2 4.41Å; C142-V144 PolarHBondContact O-N 2.97Å
143D35.4Very low39.7Very low127 Ų127134.5 Ų134.568%0.67970%0.695SS**  trans-6677.1159.4-177.811.9000109.1E141 S145E141-D143 PolarHBondContact O-N 2.87Å; D143-S145 VanDerWaalsContact C-N 3.31Å; D143-S145 WeakPolarHBondContact OD1-CB 3.14Å; D143-S145 PolarHBondContact OD1-N 3.18Å; D143-S145 PolarHBondContact OD1-OG 3.33Å
144V34.8Very low40.4Very low95 Ų95129.6 Ų129.658%0.57667%0.671SS**  trans-94.675.3159.9-176.40000105.7C142 L146C142-V144 HydrophobicContact CB-CG2 4.41Å; C142-V144 PolarHBondContact O-N 2.97Å; V144-L146 PolarHBondContact O-N 3.46Å
145S37.7Very low41.5Very low81 Ų81122.9 Ų122.957%0.56665%0.651SS**  trans-56.9106.2168.53.30000108.4D143 E147D143-S145 VanDerWaalsContact C-N 3.31Å; D143-S145 WeakPolarHBondContact OD1-CB 3.14Å; D143-S145 PolarHBondContact OD1-N 3.18Å; D143-S145 PolarHBondContact OD1-OG 3.33Å; S145-E147 PolarHBondContact O-N 3.36Å
146L44.9Very low42.6Very low169 Ų169118.6 Ų118.689%0.88563%0.627SS**  trans-73.768.8172.4-85.4166.5000109.6V144 D148V144-L146 PolarHBondContact O-N 3.46Å; L146-D148 PolarHBondContact O-N 3.23Å; L146-D148 VanDerWaalsContact O-N 3.17Å
147E36.1Very low44.2Very low150 Ų150118.1 Ų118.170%0.70162%0.621SS**  trans-7893.5170.2-162.5179.992.800108.3S145 D149 R151S145-E147 PolarHBondContact O-N 3.36Å; E147-D149 PolarHBondContact O-N 2.7Å; E147-D149 VanDerWaalsContact O-N 3.15Å; E147-R151 IonicContact OE1-NH2 2.66Å; E147-R151 PolarHBondContact OE1-NH2 3.18Å
148D42.1Very low45.3Very low162 Ų162113.1 Ų113.187%0.86659%0.589SS**  trans-64.4107.6-177176.941.8000111.9L146L146-D148 PolarHBondContact O-N 3.23Å; L146-D148 VanDerWaalsContact O-N 3.17Å
149D40.3Very low46.3Very low89 Ų89115 Ų11548%0.47659%0.588SS.*SBendtrans-166.161.7177.1-170.37.8000111.9E147 R151E147-D149 PolarHBondContact O-N 2.7Å; E147-D149 VanDerWaalsContact O-N 3.15Å; D149-R151 VanDerWaalsContact CB-CZ 3.5Å; D149-R151 VanDerWaalsContact CB-NH2 3.31Å; D149-R151 WeakPolarHBondContact O-CG 3.08Å; D149-R151 PolarHBondContact O-N 2.82Å; D149-R151 PolarHBondContact O-NH1 2.83Å; D149-R151 IonicContact OD1-NH1 3.13Å; D149-R151 IonicContact OD2-CZ 2.84Å; D149-R151 IonicContact OD2-NH1 3.48Å; D149-R151 PolarHBondContact OD2-NH1 2.83Å; D149-R151 IonicContact OD2-NH2 3.61Å; D149-R151 PolarHBondContact OD2-NH2 2.86Å
150N42.3Very low47.6Very low161 Ų161110.7 Ų110.786%0.86157%0.565SS**  trans4926.2160.5-170.749.8000117.3
151R50.9Low48.3Very low105 Ų105113.9 Ų113.940%0.39657%0.57SS.*  trans-92.9118-176-83.8176.9-91.8-77.922.4110.9E147 D149 E153E147-R151 IonicContact OE1-NH2 2.66Å; E147-R151 PolarHBondContact OE1-NH2 3.18Å; D149-R151 VanDerWaalsContact CB-CZ 3.5Å; D149-R151 VanDerWaalsContact CB-NH2 3.31Å; D149-R151 WeakPolarHBondContact O-CG 3.08Å; D149-R151 PolarHBondContact O-N 2.82Å; D149-R151 PolarHBondContact O-NH1 2.83Å; D149-R151 IonicContact OD1-NH1 3.13Å; D149-R151 IonicContact OD2-CZ 2.84Å; D149-R151 IonicContact OD2-NH1 3.48Å; D149-R151 PolarHBondContact OD2-NH1 2.83Å; D149-R151 IonicContact OD2-NH2 3.61Å; D149-R151 PolarHBondContact OD2-NH2 2.86Å; R151-E153 HydrophobicContact CB-CG 4.41Å; R151-E153 PolarHBondContact O-N 2.98Å
152Q51.3Low50Low107 Ų107110 Ų11050%0.556%0.555SS.*  trans-75.789.1175.1-66.1-173.2-57.700110L198Q152-L198 HydrophobicContact CB-CD2 4.14Å
153E48.9Very low51.2Low86 Ų86112.3 Ų112.340%0.40256%0.561SS.*EExtended strand (participates in β ladder)trans-86.1128.6178.5-54.3-128.1133.300111.2R151 R199R151-E153 HydrophobicContact CB-CG 4.41Å; R151-E153 PolarHBondContact O-N 2.98Å; E153-R199 VanDerWaalsContact OE1-CD 3.23Å; E153-R199 WeakPolarHBondContact OE1-CD 3.39Å; E153-R199 IonicContact OE1-CZ 3.5Å; E153-R199 IonicContact OE1-NE 2.65Å; E153-R199 PolarHBondContact OE1-NE 3.48Å; E153-R199 IonicContact OE1-NH1 3.86Å; E153-R199 PolarHBondContact OE1-NH1 3.05Å
154W55.4Low52.9Low109 Ų109108.4 Ų108.441%0.41354%0.543SS..EExtended strand (participates in β ladder)trans-115.6113.3176.3-69.259.4000108.7F156 R199 K201W154-F156 HydrophobicContact CB-CE2 3.94Å; W154-F156 HydrophobicContact CB-CZ 4.48Å; W154-F156 HydrophobicContact CE3-CE2 4.4Å; W154-F156 AromaticContact CE3-CZ 3.82Å; W154-F156 HydrophobicContact CE3-CZ 3.82Å; W154-R199 PolarHBondContact N-O 2.97Å; W154-K201 PolarHBondContact O-N 3.01Å
155I55.3Low54.4Low92 Ų92106 Ų10647%0.47254%0.538SS..EExtended strand (participates in β ladder)trans-104.5121.4-179.5-55.9180000108.5K201I155-K201 WeakPolarHBondContact CA-O 3.31Å; I155-K201 HydrophobicContact CG1-CB 4.48Å
156F59.8Low55.8Low63 Ų63108.9 Ų108.928%0.27654%0.541SS..EExtended strand (participates in β ladder)trans-113.8110.9175.1-63.9-82.8000109.3W154 V200 K201 L202 T203W154-F156 HydrophobicContact CB-CE2 3.94Å; W154-F156 HydrophobicContact CB-CZ 4.48Å; W154-F156 HydrophobicContact CE3-CE2 4.4Å; W154-F156 AromaticContact CE3-CZ 3.82Å; W154-F156 HydrophobicContact CE3-CZ 3.82Å; F156-V200 HydrophobicContact CD2-CG1 4.25Å; F156-V200 HydrophobicContact CE2-CG1 4.43Å; F156-K201 PolarHBondContact N-O 3.2Å; F156-K201 VanDerWaalsContact N-O 3.1Å; F156-L202 HydrophobicContact CB-CD1 4.28Å; F156-T203 PolarHBondContact O-N 3.43Å
157T66.4Low57.1Low65 Ų65104.3 Ų104.340%0.39952%0.52SS..EExtended strand (participates in β ladder)trans-90.8115.8165.7-54.20000107.8Y159T157-Y159 HydrophobicContact CG2-CE1 4.44Å; T157-Y159 HydrophobicContact CG2-CE2 3.81Å
158L63.7Low59.1Low38 Ų38100.5 Ų100.520%0.19951%0.506CS..EExtended strand (participates in β ladder)trans-98.8134.7174.6-60.4-173.9000110.4F161 L175 L202 T203L158-F161 HydrophobicContact CB-CE2 4.36Å; L158-F161 HydrophobicContact CD1-CE2 4.32Å; L158-F161 HydrophobicContact CD2-CE2 4.11Å; L158-F161 HydrophobicContact CD2-CZ 4.07Å; L158-L175 HydrophobicContact CD1-CD1 3.83Å; L158-L175 HydrophobicContact CD1-CD2 3.39Å; L158-L175 HydrophobicContact CD1-CG 4.2Å; L158-L202 HydrophobicContact CD1-CD1 3.78Å; L158-L202 HydrophobicContact CG-CD1 3.85Å; L158-T203 PolarHBondContact N-O 2.74Å; L158-T203 VanDerWaalsContact N-O 3.16Å
159Y59Low61Low176 Ų176101.8 Ų101.869%0.6950%0.504SS*.  trans-103158.9170.5-61.8-85.2000108.8T157 F161T157-Y159 HydrophobicContact CG2-CE1 4.44Å; T157-Y159 HydrophobicContact CG2-CE2 3.81Å; Y159-F161 WeakPolarHBondContact O-CD2 3.46Å; Y159-F161 PolarHBondContact O-N 3.49Å; Y159-F161 VanDerWaalsContact O-N 3.15Å
160D64.2Low63.1Low59 Ų59105 Ų10532%0.31652%0.516SS..  trans-63.1111.7-174.2-15750000110.5N163 S164 G165D160-N163 WeakPolarHBondContact OD2-CA 3.26Å; D160-N163 PolarHBondContact OD2-N 3.47Å; D160-S164 PolarHBondContact OD2-N 3.23Å; D160-G165 WeakPolarHBondContact OD2-CA 3.39Å; D160-G165 PolarHBondContact OD2-N 3.43Å
161F59.8Low65Low175 Ų175101.1 Ų101.177%0.76850%0.496SS*.SBendtrans-80.9-21.9-170.8-72.9-73.1000114L158 Y159L158-F161 HydrophobicContact CB-CE2 4.36Å; L158-F161 HydrophobicContact CD1-CE2 4.32Å; L158-F161 HydrophobicContact CD2-CE2 4.11Å; L158-F161 HydrophobicContact CD2-CZ 4.07Å; Y159-F161 WeakPolarHBondContact O-CD2 3.46Å; Y159-F161 PolarHBondContact O-N 3.49Å; Y159-F161 VanDerWaalsContact O-N 3.15Å
162D67Low66.4Low102 Ų10299.4 Ų99.455%0.54549%0.493SS..SBendtrans-116.64.4-176.274.3-19.5000113.4S164D162-S164 VanDerWaalsContact CG-CB 3.49Å; D162-S164 VanDerWaalsContact CG-OG 3.23Å; D162-S164 PolarHBondContact O-N 2.99Å; D162-S164 WeakPolarHBondContact OD1-CB 3.18Å; D162-S164 PolarHBondContact OD1-N 2.77Å; D162-S164 PolarHBondContact OD1-OG 3.08Å; D162-S164 VanDerWaalsContact OD2-CB 3.26Å; D162-S164 WeakPolarHBondContact OD2-CB 3.43Å; D162-S164 PolarHBondContact OD2-OG 3.05Å; D162-S164 VanDerWaalsContact OD2-OG 3.09Å
163N60.3Low67.9Low147 Ų14797 Ų9779%0.78649%0.488SS*.SBendtrans55.821.7-174.5-57.8-18.4000114.5D160D160-N163 WeakPolarHBondContact OD2-CA 3.26Å; D160-N163 PolarHBondContact OD2-N 3.47Å
164S70.5Confident69.5Low45 Ų4596.2 Ų96.232%0.31549%0.492SS..SBendtrans-80.2-16.6-179.869.40000114.5D160 D162 K166D160-S164 PolarHBondContact OD2-N 3.23Å; D162-S164 VanDerWaalsContact CG-CB 3.49Å; D162-S164 VanDerWaalsContact CG-OG 3.23Å; D162-S164 PolarHBondContact O-N 2.99Å; D162-S164 WeakPolarHBondContact OD1-CB 3.18Å; D162-S164 PolarHBondContact OD1-N 2.77Å; D162-S164 PolarHBondContact OD1-OG 3.08Å; D162-S164 VanDerWaalsContact OD2-CB 3.26Å; D162-S164 WeakPolarHBondContact OD2-CB 3.43Å; D162-S164 PolarHBondContact OD2-OG 3.05Å; D162-S164 VanDerWaalsContact OD2-OG 3.09Å; S164-K166 PolarHBondContact O-N 2.92Å; S164-K166 PolarHBondContact OG-N 3.3Å; S164-K166 VanDerWaalsContact OG-N 3.13Å; S164-K166 PolarHBondContact OG-O 3.11Å
165G66.6Low70.9Confident46 Ų4692.8 Ų92.847%0.47448%0.481SS..SBendtrans62.128.7-168.100000113.1D160 R209D160-G165 WeakPolarHBondContact OD2-CA 3.39Å; D160-G165 PolarHBondContact OD2-N 3.43Å; G165-R209 PolarHBondContact O-NH2 3.33Å
166K66.4Low72.3Confident141 Ų14191.2 Ų91.261%0.61347%0.473SS*.  trans-153.484.3-168.7-64.7175.6-172.4171.80112.9S164 T168S164-K166 PolarHBondContact O-N 2.92Å; S164-K166 PolarHBondContact OG-N 3.3Å; S164-K166 VanDerWaalsContact OG-N 3.13Å; S164-K166 PolarHBondContact OG-O 3.11Å; K166-T168 PolarHBondContact O-N 3.14Å
167V71.9Confident73.3Confident73 Ų7392.5 Ų92.544%0.44248%0.48SS..  trans-59.3123.4168.2-164.90000110.2D171 M172 V204V167-D171 HydrophobicContact CG1-CB 3.93Å; V167-M172 HydrophobicContact CG1-CG 3.74Å; V167-M172 HydrophobicContact CG1-SD 3.83Å; V167-V204 HydrophobicContact CG2-CG1 3.92Å
168T78.7Confident74.2Confident69 Ų6991.9 Ų91.942%0.42348%0.476SS..  trans-83.9169179.580.90000111.7K166 E170 D171 M172K166-T168 PolarHBondContact O-N 3.14Å; T168-E170 PolarHBondContact O-N 3.37Å; T168-E170 PolarHBondContact OG1-N 3.03Å; T168-E170 VanDerWaalsContact OG1-N 3.16Å; T168-D171 WeakPolarHBondContact CA-OD2 3.25Å; T168-D171 WeakPolarHBondContact CB-OD2 3.35Å; T168-D171 WeakPolarHBondContact CG2-OD2 3.31Å; T168-D171 PolarHBondContact N-OD2 3.25Å; T168-D171 VanDerWaalsContact OG1-CG 3.3Å; T168-D171 PolarHBondContact OG1-N 3.01Å; T168-D171 PolarHBondContact OG1-OD2 3.25Å; T168-M172 PolarHBondContact O-N 3.47Å
169K81.6Confident75.1Confident189 Ų18991.1 Ų91.182%0.82247%0.472SS*.Hα-helixtrans-61.8-32.5171.5-174.4-174.7173.3-168.20111.8S173K169-S173 WeakPolarHBondContact O-CB 3.48Å; K169-S173 PolarHBondContact O-N 3.44Å
170E85.1Confident76.1Confident157 Ų15789.6 Ų89.673%0.73447%0.466SS*.Hα-helixtrans-71.7-42.4-177.7-170.4161.4-169.700110.9T168 S173 S174T168-E170 PolarHBondContact O-N 3.37Å; T168-E170 PolarHBondContact OG1-N 3.03Å; T168-E170 VanDerWaalsContact OG1-N 3.16Å; E170-S173 PolarHBondContact O-N 3.31Å; E170-S173 VanDerWaalsContact O-N 3.16Å; E170-S174 WeakPolarHBondContact O-CB 3.36Å; E170-S174 PolarHBondContact O-N 2.98Å
171D81.3Confident77Confident80 Ų8092 Ų9243%0.42848%0.479SS..Hα-helixtrans-61.5-47.7176-49.8-57.6000111.5V167 T168 S173 S174 L175V167-D171 HydrophobicContact CG1-CB 3.93Å; T168-D171 WeakPolarHBondContact CA-OD2 3.25Å; T168-D171 WeakPolarHBondContact CB-OD2 3.35Å; T168-D171 WeakPolarHBondContact CG2-OD2 3.31Å; T168-D171 PolarHBondContact N-OD2 3.25Å; T168-D171 VanDerWaalsContact OG1-CG 3.3Å; T168-D171 PolarHBondContact OG1-N 3.01Å; T168-D171 PolarHBondContact OG1-OD2 3.25Å; D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 PolarHBondContact O-N 3.01Å; D171-S174 PolarHBondContact O-N 3.34Å; D171-L175 VanDerWaalsContact O-CB 3.28Å; D171-L175 WeakPolarHBondContact O-CB 3.43Å; D171-L175 PolarHBondContact O-N 2.97Å
172M81.8Confident78Confident68 Ų6887.8 Ų87.834%0.33547%0.467SS..Hα-helixtrans-60.8-36.8175.4-69.7-64.1-67.300111.9V167 T168 M176 L202 V204V167-M172 HydrophobicContact CG1-CG 3.74Å; V167-M172 HydrophobicContact CG1-SD 3.83Å; T168-M172 PolarHBondContact O-N 3.47Å; M172-M176 WeakPolarHBondContact O-CB 3.25Å; M172-M176 VanDerWaalsContact O-CG 3.24Å; M172-M176 WeakPolarHBondContact O-CG 3.48Å; M172-M176 PolarHBondContact O-N 3.41Å; M172-M176 VanDerWaalsContact O-N 3.12Å; M172-L202 HydrophobicContact CE-CD2 3.64Å; M172-L202 HydrophobicContact SD-CD2 4.33Å; M172-V204 HydrophobicContact SD-CG2 4.45Å
173S81.3Confident78.6Confident56 Ų5685 Ų8539%0.39245%0.454SS..Hα-helixtrans-70.4-45.4177.1-153.90000111.5K169 E170 D171 M176 H177K169-S173 WeakPolarHBondContact O-CB 3.48Å; K169-S173 PolarHBondContact O-N 3.44Å; E170-S173 PolarHBondContact O-N 3.31Å; E170-S173 VanDerWaalsContact O-N 3.16Å; D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 PolarHBondContact O-N 3.01Å; S173-M176 PolarHBondContact O-N 3.13Å; S173-H177 PolarHBondContact O-CD2 3.43Å; S173-H177 PolarHBondContact O-N 3.09Å
174S83.7Confident79.4Confident70 Ų7082.5 Ų82.549%0.4944%0.44SS..Hα-helixtrans-62-44.3179.5-176.40000112.1E170 D171 H177 T178E170-S174 WeakPolarHBondContact O-CB 3.36Å; E170-S174 PolarHBondContact O-N 2.98Å; D171-S174 PolarHBondContact O-N 3.34Å; S174-H177 PolarHBondContact O-N 3.37Å; S174-T178 PolarHBondContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.17Å
175L83.4Confident79.6Confident37 Ų3782.3 Ų82.319%0.19444%0.441CS..Hα-helixtrans-57.5-52.9171.2175.173.9000111.7L158 D171 H177 T178 I179 L202L158-L175 HydrophobicContact CD1-CD1 3.83Å; L158-L175 HydrophobicContact CD1-CD2 3.39Å; L158-L175 HydrophobicContact CD1-CG 4.2Å; D171-L175 VanDerWaalsContact O-CB 3.28Å; D171-L175 WeakPolarHBondContact O-CB 3.43Å; D171-L175 PolarHBondContact O-N 2.97Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-H177 PolarHBondContact O-N 3.16Å; L175-T178 WeakPolarHBondContact O-CB 3.18Å; L175-T178 PolarHBondContact O-N 3.15Å; L175-I179 HydrophobicContact CD1-CD1 4.09Å; L175-I179 HydrophobicContact CG-CD1 3.94Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 2.65Å; L175-L202 HydrophobicContact CD2-CD1 3.82Å; L175-L202 HydrophobicContact CD2-CD2 3.47Å; L175-L202 VanDerWaalsContact CD2-CD2 3.47Å; L175-L202 HydrophobicContact CD2-CG 4.31Å
176M86.1Confident79.4Confident60 Ų6083 Ų8330%0.29644%0.439SS..Hα-helixtrans-64.2-38.9-177.8-74.1-58.6-52.500111.9M172 S173 I179 Y180M172-M176 WeakPolarHBondContact O-CB 3.25Å; M172-M176 VanDerWaalsContact O-CG 3.24Å; M172-M176 WeakPolarHBondContact O-CG 3.48Å; M172-M176 PolarHBondContact O-N 3.41Å; M172-M176 VanDerWaalsContact O-N 3.12Å; S173-M176 PolarHBondContact O-N 3.13Å; M176-I179 PolarHBondContact O-N 3.17Å; M176-I179 HydrophobicContact SD-CD1 4.35Å; M176-Y180 HydrophobicContact CB-CD2 4.45Å; M176-Y180 HydrophobicContact CB-CE2 4.32Å; M176-Y180 HydrophobicContact CE-CD2 4.27Å; M176-Y180 HydrophobicContact CE-CE2 3.52Å; M176-Y180 WeakPolarHBondContact O-CD2 3.4Å; M176-Y180 PolarHBondContact O-N 2.86Å
177H80.9Confident79Confident90 Ų9079.3 Ų79.342%0.41743%0.428SS..Hα-helixtrans-58.2-49171-78.4-61.8000111.6S173 S174 L175 I179 Y180 D181S173-H177 PolarHBondContact O-CD2 3.43Å; S173-H177 PolarHBondContact O-N 3.09Å; S174-H177 PolarHBondContact O-N 3.37Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-H177 PolarHBondContact O-N 3.16Å; H177-I179 VanDerWaalsContact C-N 3.28Å; H177-I179 PolarHBondContact O-N 3.2Å; H177-Y180 PolarHBondContact O-N 2.75Å; H177-Y180 VanDerWaalsContact O-N 3.12Å; H177-D181 VanDerWaalsContact O-CG 3.32Å; H177-D181 PolarHBondContact O-N 3.21Å
178T85.5Confident78.2Confident51 Ų5180.6 Ų80.631%0.31343%0.432SS..Hα-helixtrans-59.1-39.2178.5-540000112L32 S174 L175 V182L32-T178 HydrophobicContact CD2-CG2 4.4Å; S174-T178 PolarHBondContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.17Å; L175-T178 WeakPolarHBondContact O-CB 3.18Å; L175-T178 PolarHBondContact O-N 3.15Å; T178-V182 VanDerWaalsContact O-CG2 3.31Å; T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.36Å
179I81.7Confident76.8Confident23 Ų2385 Ų8512%0.11845%0.448CS..Hα-helixtrans-66.8-45.9175.4-68168.4000110.9L175 M176 H177 V183 V200L175-I179 HydrophobicContact CD1-CD1 4.09Å; L175-I179 HydrophobicContact CG-CD1 3.94Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 2.65Å; M176-I179 PolarHBondContact O-N 3.17Å; M176-I179 HydrophobicContact SD-CD1 4.35Å; H177-I179 VanDerWaalsContact C-N 3.28Å; H177-I179 PolarHBondContact O-N 3.2Å; I179-V183 HydrophobicContact CG2-CG2 4.45Å; I179-V183 WeakPolarHBondContact O-CB 3.23Å; I179-V183 VanDerWaalsContact O-CG2 3.27Å; I179-V183 WeakPolarHBondContact O-CG2 3.29Å; I179-V183 PolarHBondContact O-N 3.04Å; I179-V200 HydrophobicContact CD1-CG1 4.36Å; I179-V200 HydrophobicContact CG2-CG1 4.28Å; I179-V200 HydrophobicContact CG2-CG2 4.11Å
180Y80.9Confident75.2Confident144 Ų14478.3 Ų78.357%0.56543%0.425SS*.Hα-helixtrans-64.1-44.7179.1-76.7-56.9000112.5M176 H177 V182 V183 D184M176-Y180 HydrophobicContact CB-CD2 4.45Å; M176-Y180 HydrophobicContact CB-CE2 4.32Å; M176-Y180 HydrophobicContact CE-CD2 4.27Å; M176-Y180 HydrophobicContact CE-CE2 3.52Å; M176-Y180 WeakPolarHBondContact O-CD2 3.4Å; M176-Y180 PolarHBondContact O-N 2.86Å; H177-Y180 PolarHBondContact O-N 2.75Å; H177-Y180 VanDerWaalsContact O-N 3.12Å; Y180-V182 VanDerWaalsContact C-N 3.34Å; Y180-V182 PolarHBondContact O-N 3.26Å; Y180-V183 PolarHBondContact O-N 3.25Å; Y180-D184 VanDerWaalsContact O-CB 3.32Å; Y180-D184 WeakPolarHBondContact O-CB 3.39Å; Y180-D184 PolarHBondContact O-N 2.91Å
181D83.2Confident73.2Confident110 Ų11077 Ų7759%0.58843%0.431SS*.Hα-helixtrans-62-40.3-179.8-69.1-8.2000112H177 A185H177-D181 VanDerWaalsContact O-CG 3.32Å; H177-D181 PolarHBondContact O-N 3.21Å; D181-A185 WeakPolarHBondContact O-CB 3.3Å; D181-A185 PolarHBondContact O-N 3.34Å; D181-A185 VanDerWaalsContact O-N 3.09Å
182V81.2Confident71.6Confident85 Ų8581.7 Ų81.752%0.51545%0.451SS..Hα-helixtrans-70.6-41.1176.6172.30000111.3T178 Y180 S186T178-V182 VanDerWaalsContact O-CG2 3.31Å; T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.36Å; Y180-V182 VanDerWaalsContact C-N 3.34Å; Y180-V182 PolarHBondContact O-N 3.26Å; V182-S186 VanDerWaalsContact O-CB 3.29Å; V182-S186 WeakPolarHBondContact O-CB 3.33Å; V182-S186 PolarHBondContact O-N 2.8Å; V182-S186 PolarHBondContact O-OG 2.87Å
183V78.3Confident69.9Low45 Ų4580.6 Ų80.627%0.27345%0.446SS..Hα-helixtrans-63.1-50.4176.21650000110.7I179 Y180 A185 S186 V187 L198I179-V183 HydrophobicContact CG2-CG2 4.45Å; I179-V183 WeakPolarHBondContact O-CB 3.23Å; I179-V183 VanDerWaalsContact O-CG2 3.27Å; I179-V183 WeakPolarHBondContact O-CG2 3.29Å; I179-V183 PolarHBondContact O-N 3.04Å; Y180-V183 PolarHBondContact O-N 3.25Å; V183-A185 PolarHBondContact O-N 2.79Å; V183-S186 PolarHBondContact O-N 3.21Å; V183-S186 VanDerWaalsContact O-N 3.14Å; V183-S186 PolarHBondContact O-OG 3.38Å; V183-V187 HydrophobicContact CG1-CG2 4.49Å; V183-V187 WeakPolarHBondContact O-CG2 3.31Å; V183-V187 PolarHBondContact O-N 2.91Å; V183-L198 HydrophobicContact CG1-CD1 4.16Å; V183-L198 HydrophobicContact CG2-CD1 4.06Å
184D78.2Confident68.5Low94 Ų9487 Ų8750%0.50347%0.467SS..Hα-helixtrans-56.8-50.6178.7179.977.3000111.8Y180 S186 V187 N188Y180-D184 VanDerWaalsContact O-CB 3.32Å; Y180-D184 WeakPolarHBondContact O-CB 3.39Å; Y180-D184 PolarHBondContact O-N 2.91Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å; D184-V187 PolarHBondContact O-N 3.29Å; D184-N188 VanDerWaalsContact O-CB 3.3Å; D184-N188 WeakPolarHBondContact O-CB 3.37Å; D184-N188 VanDerWaalsContact O-CG 3.3Å; D184-N188 PolarHBondContact O-N 3.2Å; D184-N188 PolarHBondContact O-ND2 3.14Å; D184-N188 PolarHBondContact OD1-ND2 3.1Å; D184-N188 PolarHBondContact OD2-ND2 2.57Å
185A72.9Confident66.9Low40 Ų4089.2 Ų89.233%0.33148%0.482SS..Hα-helixtrans-58.6-42.3175.400000112.2D181 V183 V187 H189D181-A185 WeakPolarHBondContact O-CB 3.3Å; D181-A185 PolarHBondContact O-N 3.34Å; D181-A185 VanDerWaalsContact O-N 3.09Å; V183-A185 PolarHBondContact O-N 2.79Å; A185-V187 VanDerWaalsContact C-N 3.33Å; A185-V187 PolarHBondContact O-N 3Å; A185-H189 PolarHBondContact O-CD2 2.86Å; A185-H189 PolarHBondContact O-N 3.48Å; A185-H189 VanDerWaalsContact O-N 3.12Å
186S62.8Low65.4Low62 Ų6293.1 Ų93.143%0.43450%0.498SS..Hα-helixtrans-65.6-32.7179.478.50000113.9V182 V183 D184V182-S186 VanDerWaalsContact O-CB 3.29Å; V182-S186 WeakPolarHBondContact O-CB 3.33Å; V182-S186 PolarHBondContact O-N 2.8Å; V182-S186 PolarHBondContact O-OG 2.87Å; V183-S186 PolarHBondContact O-N 3.21Å; V183-S186 VanDerWaalsContact O-N 3.14Å; V183-S186 PolarHBondContact O-OG 3.38Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å
187V58.7Low63.7Low63 Ų6395.8 Ų95.838%0.38252%0.517SS..Hα-helixtrans-78.5-47.4176.41720000110.4V183 D184 A185 H189 S190V183-V187 HydrophobicContact CG1-CG2 4.49Å; V183-V187 WeakPolarHBondContact O-CG2 3.31Å; V183-V187 PolarHBondContact O-N 2.91Å; D184-V187 PolarHBondContact O-N 3.29Å; A185-V187 VanDerWaalsContact C-N 3.33Å; A185-V187 PolarHBondContact O-N 3Å; V187-H189 VanDerWaalsContact C-N 3.25Å; V187-H189 PolarHBondContact O-N 3.07Å; V187-S190 PolarHBondContact O-N 3.15Å
188N54.6Low62.6Low99 Ų9994.2 Ų94.253%0.52951%0.512SS..Hα-helixtrans-66.7-22.3-176.6-72-31.3000113.7D184D184-N188 VanDerWaalsContact O-CB 3.3Å; D184-N188 WeakPolarHBondContact O-CB 3.37Å; D184-N188 VanDerWaalsContact O-CG 3.3Å; D184-N188 PolarHBondContact O-N 3.2Å; D184-N188 PolarHBondContact O-ND2 3.14Å; D184-N188 PolarHBondContact OD1-ND2 3.1Å; D184-N188 PolarHBondContact OD2-ND2 2.57Å
189H49.6Very low61.4Low161 Ų16198.7 Ų98.775%0.74552%0.523SS*.THydrogen-bonded Turntrans-84.2-6.6171.8-69.3-45.7000114.7A185 V187A185-H189 PolarHBondContact O-CD2 2.86Å; A185-H189 PolarHBondContact O-N 3.48Å; A185-H189 VanDerWaalsContact O-N 3.12Å; V187-H189 VanDerWaalsContact C-N 3.25Å; V187-H189 PolarHBondContact O-N 3.07Å
190S48.9Very low60.4Low49 Ų49100.5 Ų100.534%0.34354%0.535SS..  trans-11075.5-173.5-158.30000112.8V187 H192 N193V187-S190 PolarHBondContact O-N 3.15Å; S190-H192 PolarHBondContact O-N 3.47Å; S190-N193 PolarHBondContact O-N 3.16Å; S190-N193 PolarHBondContact O-OD1 3.38Å
191C42.5Very low59.3Low129 Ų12998.1 Ų98.187%0.87253%0.527SS*.THydrogen-bonded Turntrans-65.917.7-176.9-52.40000116.1
192H48.4Very low58.5Low180 Ų18095.1 Ų95.183%0.83351%0.511SS*.THydrogen-bonded Turntrans-145.80.7-175.1-153.173.6000115.1S190 K194S190-H192 PolarHBondContact O-N 3.47Å; H192-K194 PolarHBondContact O-N 2.65Å; H192-K194 VanDerWaalsContact O-N 3.15Å
193N46Very low57.6Low44 Ų4493.9 Ų93.924%0.23550%0.504CS..  trans-88.279.8-177.569.1-22.8000113.1S190 S195 K196S190-N193 PolarHBondContact O-N 3.16Å; S190-N193 PolarHBondContact O-OD1 3.38Å; N193-S195 PolarHBondContact O-N 3.27Å; N193-K196 HydrophobicContact CB-CD 4.19Å; N193-K196 HydrophobicContact CB-CG 4.23Å
194K51.6Low56.6Low192 Ų19294.7 Ų94.784%0.83551%0.509SS*.THydrogen-bonded Turntrans-33.7104.516551.5-174.4176.9-178.50113H192 K196H192-K194 PolarHBondContact O-N 2.65Å; H192-K194 VanDerWaalsContact O-N 3.15Å; K194-K196 PolarHBondContact O-N 3.5Å
195S50.4Low55.3Low115 Ų11594.6 Ų94.680%0.80451%0.512SS*.THydrogen-bonded Turntrans35.663.8171.661.70000116.6N193 T197N193-S195 PolarHBondContact O-N 3.27Å; S195-T197 PolarHBondContact O-N 2.91Å
196K51.9Low54.2Low120 Ų12097.8 Ų97.852%0.52253%0.529SS..  trans-79.3107.6167.1-75-167175.7-168.70111.3N193 K194N193-K196 HydrophobicContact CB-CD 4.19Å; N193-K196 HydrophobicContact CB-CG 4.23Å; K194-K196 PolarHBondContact O-N 3.5Å
197T48.9Very low53.3Low116 Ų116103.2 Ų103.271%0.71255%0.547SS*.  trans-86.7107.9172.7-46.40000110.3S195S195-T197 PolarHBondContact O-N 2.91Å
198L59.4Low52.4Low56 Ų56105.9 Ų105.929%0.29357%0.566SS.*  trans-80.1128.4174.8-67.1174.9000110.7Q152 V183Q152-L198 HydrophobicContact CB-CD2 4.14Å; V183-L198 HydrophobicContact CG1-CD1 4.16Å; V183-L198 HydrophobicContact CG2-CD1 4.06Å
199R59.3Low51.7Low146 Ų146110.2 Ų110.255%0.55158%0.575SS**EExtended strand (participates in β ladder)trans-102.7107.4173.5-67-17873.3-158.414.1109E153 W154E153-R199 VanDerWaalsContact OE1-CD 3.23Å; E153-R199 WeakPolarHBondContact OE1-CD 3.39Å; E153-R199 IonicContact OE1-CZ 3.5Å; E153-R199 IonicContact OE1-NE 2.65Å; E153-R199 PolarHBondContact OE1-NE 3.48Å; E153-R199 IonicContact OE1-NH1 3.86Å; E153-R199 PolarHBondContact OE1-NH1 3.05Å; W154-R199 PolarHBondContact N-O 2.97Å
200V60.6Low51Low61 Ų61107.7 Ų107.737%0.3758%0.575SS.*EExtended strand (participates in β ladder)trans-94.4121173-178.30000108.7F156 I179F156-V200 HydrophobicContact CD2-CG1 4.25Å; F156-V200 HydrophobicContact CE2-CG1 4.43Å; I179-V200 HydrophobicContact CD1-CG1 4.36Å; I179-V200 HydrophobicContact CG2-CG1 4.28Å; I179-V200 HydrophobicContact CG2-CG2 4.11Å
201K57.7Low50.4Low94 Ų94113 Ų11341%0.40960%0.595SS.*EExtended strand (participates in β ladder)trans-114102.8172.9-170.8172.968.4-172.60109.2W154 I155 F156W154-K201 PolarHBondContact O-N 3.01Å; I155-K201 WeakPolarHBondContact CA-O 3.31Å; I155-K201 HydrophobicContact CG1-CB 4.48Å; F156-K201 PolarHBondContact N-O 3.2Å; F156-K201 VanDerWaalsContact N-O 3.1Å
202L67.5Low50.4Low46 Ų46118.1 Ų118.124%0.24160%0.596CS.*EExtended strand (participates in β ladder)trans-84.4134.9171.2178.960.2000109.4F156 L158 M172 L175F156-L202 HydrophobicContact CB-CD1 4.28Å; L158-L202 HydrophobicContact CD1-CD1 3.78Å; L158-L202 HydrophobicContact CG-CD1 3.85Å; M172-L202 HydrophobicContact CE-CD2 3.64Å; M172-L202 HydrophobicContact SD-CD2 4.33Å; L175-L202 HydrophobicContact CD2-CD1 3.82Å; L175-L202 HydrophobicContact CD2-CD2 3.47Å; L175-L202 VanDerWaalsContact CD2-CD2 3.47Å; L175-L202 HydrophobicContact CD2-CG 4.31Å
203T62.5Low50Low59 Ų59119.2 Ų119.236%0.36259%0.592SS.*EExtended strand (participates in β ladder)trans-132.2127.8172.5-60.60000109.7F156 L158F156-T203 PolarHBondContact O-N 3.43Å; L158-T203 PolarHBondContact N-O 2.74Å; L158-T203 VanDerWaalsContact N-O 3.16Å
204V56Low49.4Very low62 Ų62123.4 Ų123.438%0.37662%0.615SS.*EExtended strand (participates in β ladder)trans-115.5117.5176.61790000106.7V167 M172 P206V167-V204 HydrophobicContact CG2-CG1 3.92Å; M172-V204 HydrophobicContact SD-CG2 4.45Å; V204-P206 VanDerWaalsContact O-CD 3.31Å; V204-P206 WeakPolarHBondContact O-CD 3.5Å
205T51.2Low48.9Very low92 Ų92120.2 Ų120.256%0.56461%0.611SS**  trans-96.1106.6178.9-57.70000108.9E207T205-E207 PolarHBondContact O-N 2.95Å
206P49.2Very low48.3Very low108 Ų108117.5 Ų117.570%0.70160%0.602SS**  trans-68.3129.2172.829.2-33.4000109.3V204V204-P206 VanDerWaalsContact O-CD 3.31Å; V204-P206 WeakPolarHBondContact O-CD 3.5Å
207E44.6Very low47.9Very low175 Ų175116.2 Ų116.282%0.81861%0.613SS**  trans-66.2130.2177.1-166.5176.1-172.500110.3T205 R209T205-E207 PolarHBondContact O-N 2.95Å; E207-R209 PolarHBondContact O-N 3.27Å
208P38.9Very low47Very low120 Ų120119.5 Ų119.578%0.77962%0.621SS**  trans-70.490.2-176.727.9-35.1000110.9S210P208-S210 PolarHBondContact O-N 3.43Å
209R40.7Very low45.8Very low190 Ų190127.4 Ų127.472%0.71765%0.647SS**  trans-42.9113.5178.2-67.9177.5176.1-106.4-13.7111G165 E207 H211G165-R209 PolarHBondContact O-NH2 3.33Å; E207-R209 PolarHBondContact O-N 3.27Å; R209-H211 PolarHBondContact O-N 3.39Å
210S33.9Very low44.4Very low107 Ų107125.4 Ų125.475%0.74865%0.654SS**  trans-61.5113.117775.10000109.6P208 R212P208-S210 PolarHBondContact O-N 3.43Å; S210-R212 VanDerWaalsContact C-N 3.26Å; S210-R212 PolarHBondContact O-N 2.81Å
211H36.6Very low43.1Very low161 Ų161131 Ų13175%0.74568%0.675SS**  trans-73.382.5-178.8177.969.6000109.9R209 R213R209-H211 PolarHBondContact O-N 3.39Å; H211-R213 PolarHBondContact O-N 2.9Å
212R42.9Very low41.8Very low236 Ų236133.4 Ų133.489%0.89169%0.688SS**  trans-73.867.8166.5-104.2-169.1177.1-111.55.2110.3S210 D214S210-R212 VanDerWaalsContact C-N 3.26Å; S210-R212 PolarHBondContact O-N 2.81Å; R212-D214 PolarHBondContact O-N 2.92Å
213R41.1Very low40.1Very low204 Ų204137.2 Ų137.277%0.7771%0.709SS**  trans44.566.5147.1-163.8-167.6-54.4-151.61.3114.1H211 T215H211-R213 PolarHBondContact O-N 2.9Å; R213-T215 PolarHBondContact O-N 3.09Å
214D32.8Very low38.8Very low131 Ų131142 Ų14270%0.70173%0.727SS**  trans-65.2132.1158.8-177.211.7000108.4R212 G216R212-D214 PolarHBondContact O-N 2.92Å; D214-G216 PolarHBondContact OD1-N 3.5Å
215T40.8Very low37.6Very low125 Ų125143.9 Ų143.977%0.76774%0.735SS**  trans-141.944.8178.3-45.30000108.1R213R213-T215 PolarHBondContact O-N 3.09Å
216G38.6Very low37Very low59 Ų59149.7 Ų149.761%0.60875%0.746SS**SBendtrans-110.49.5-165.200000117.5D214D214-G216 PolarHBondContact OD1-N 3.5Å
217A42.9Very low36.3Very low92 Ų92149.9 Ų149.976%0.7675%0.75SS**  trans58.494171.800000117.4
218E29.9Very low35.8Very low185 Ų185145.5 Ų145.586%0.86474%0.744SS**  trans-109.3129153.8-88.4-68-174.300110.5
219R34.6Very low35.7Very low223 Ų223145.4 Ų145.484%0.84274%0.737SS**  trans-146.369.7-175.1-117.9-157.3-61.1146.9-2.2113.9
220C29.2Very low36Very low103 Ų103146 Ų14670%0.69675%0.745SS**  trans67160.8149.3-56.50000119.1
221H33.4Very low36.6Very low178 Ų178151 Ų15182%0.82475%0.747SS**  trans75.8152.9171-57.2-79.4000117.1
222H31.5Very low36.6Very low146 Ų146151.4 Ų151.468%0.67675%0.754SS**  cis176.8134.4-23.5174.523.5000105.8
223D31.8Very low36.1Very low126 Ų126146.3 Ų146.367%0.67476%0.755SS**  trans61.1128.9165.4-70.79.5000122
224E34.4Very low36.1Very low160 Ų160140.3 Ų140.375%0.74874%0.744SS**  42138.4124.9-132.6-161.195.100123.1
225N30.2Very low36.1Very low101 Ų101144.4 Ų144.454%0.5475%0.751SS.*  trans84125.4138.6-130.3-13.4000120.3
226R39.3Very low36.2Very low213 Ų213147.2 Ų147.280%0.80476%0.761SS**  trans60.6106.4150.2-76.5157.2-154.5-139.81.2121.1
227S34.2Very low35.9Very low112 Ų112149.6 Ų149.678%0.78377%0.768SS**  66.4123.2103.2-172.90000121.2
228A33.5Very low35.4Very low83 Ų83150.1 Ų150.169%0.68677%0.766SS**  trans81.8151147.600000120.3
229D37.9Very low35.6Very low119 Ų119151.4 Ų151.464%0.63677%0.769SS**  trans39.9112.8170.1-86.4-72.8000120.1
230K47.6Very low35.4Very low202 Ų202144.4 Ų144.488%0.87877%0.766SS**  -144.6138.386.2-76111.9-159.1120.10112.2
231R44.6Very low36Very low211 Ų211149.3 Ų149.380%0.79678%0.779SS**  trans-86.3176.8159.4-66.9169.964-162.5-0.3109.6
232L38Very low35.9Very low170 Ų170146.8 Ų146.889%0.8978%0.781SS**  trans78.294.4171.3-47.8172000116.1
233S32.4Very low36.3Very low129 Ų129145.1 Ų145.190%0.90279%0.786SS**  -161.2111.6115.2-167.50000111
234S39.5Very low36.5Very low79 Ų79147.4 Ų147.455%0.55279%0.793SS**  trans-143.1156.6166.656.80000107.2
235Y33.8Very low36.9Very low216 Ų216145.2 Ų145.285%0.84779%0.792SS**  trans72.483178.3-33.4-63.5000115.9
236L42Very low37.3Very low185 Ų185146.2 Ų146.297%0.96980%0.804SS**  trans-121.1147.9130.7-76.5179.8000108.2
237S33.2Very low37.2Very low109 Ų109140.1 Ų140.176%0.76280%0.8SS**  trans-108.1156.2-160-169.30000113.6
238S32.9Very low37.7Very low103 Ų103139 Ų13972%0.7280%0.797SS**  trans-5.1143.716162.60000119.5
239K33.3Very low38.5Very low212 Ų212143.9 Ų143.992%0.92281%0.805SS**  168.4128.196.8-174.7169.4-174.6175.80111.1
240G31.1Very low39.1Very low76 Ų76141 Ų14178%0.78480%0.804SS**  trans174.399.8174.700000111.8
241Q41.1Very low38.8Very low205 Ų205139.3 Ų139.396%0.95880%0.799SS**  trans-85.2127.8167.2-73175-17.500108.6
242S31.1Very low39.2Very low125 Ų125137.1 Ų137.187%0.87480%0.797SS**  trans-146.7146.2156.1-167.20000108.4
243S41.1Very low40.2Very low112 Ų112137.8 Ų137.878%0.78379%0.79SS**  trans-10098.9-168.354.20000112.2
244E35.1Very low41.6Very low173 Ų173137.4 Ų137.481%0.80879%0.786SS**  trans-159.5134.5150.4-151.3161.789.700110.2P246E244-P246 WeakPolarHBondContact O-CD 3.38Å
245P42.5Very low43Very low115 Ų115135.9 Ų135.975%0.74777%0.773SS**PPolyproline II helixtrans-76.1117.8164.530.3-29.2000108.3A247P245-A247 PolarHBondContact O-N 3.39Å
246P38.1Very low45Very low121 Ų121129.4 Ų129.479%0.78675%0.753SS**PPolyproline II helixtrans-61127.6174.626.1-33.2000108.9E244 A248E244-P246 WeakPolarHBondContact O-CD 3.38Å; P246-A248 PolarHBondContact O-N 3.47Å
247A37.4Very low47Very low86 Ų86126.4 Ų126.471%0.71173%0.734SS**PPolyproline II helixtrans-56.7134.8-179.800000110.3P245 E249P245-A247 PolarHBondContact O-N 3.39Å; A247-E249 HydrophobicContact CB-CB 4.46Å; A247-E249 PolarHBondContact O-N 2.87Å
248A46.3Very low49.4Very low87 Ų87127 Ų12772%0.71973%0.728SS**  trans-75.938.8176.300000112.4P246P246-A248 PolarHBondContact O-N 3.47Å
249E50Low51.9Low186 Ų186124.2 Ų124.287%0.86971%0.707SS**THydrogen-bonded Turntrans-74.5123.5177.6-170.3168.3-136.900109.1A247A247-E249 HydrophobicContact CB-CB 4.46Å; A247-E249 PolarHBondContact O-N 2.87Å
250G50.4Low54.6Low58 Ų58120 Ų12060%0.59869%0.691SS**THydrogen-bonded Turntrans103.96.1-177.500000116.1H252G250-H252 PolarHBondContact O-N 2.99Å
251Q39.8Very low57.5Low167 Ų167122.3 Ų122.378%0.7868%0.676SS**  trans-67.787.7158.8-69.9-65.8-2.600109.2Y253Q251-Y253 PolarHBondContact O-N 2.83Å
252H54.8Low59.9Low165 Ų165121.1 Ų121.176%0.76466%0.663SS**  trans-60.1107.6173.6-82.7-84.1000109.2G250 C254G250-H252 PolarHBondContact O-N 2.99Å; H252-C254 PolarHBondContact O-N 3.28Å
253Y58.9Low62.6Low185 Ų185118 Ų11873%0.72564%0.636SS**  trans-72.573.4179.6-170.3-109.9000110Q251 V255Q251-Y253 PolarHBondContact O-N 2.83Å; Y253-V255 HydrophobicContact CD1-CB 3.93Å; Y253-V255 HydrophobicContact CD1-CG2 3.93Å; Y253-V255 HydrophobicContact CD2-CG2 4.38Å; Y253-V255 HydrophobicContact CE1-CB 3.68Å; Y253-V255 HydrophobicContact CE1-CG1 4.33Å; Y253-V255 HydrophobicContact CE1-CG2 3.38Å; Y253-V255 HydrophobicContact CE2-CG2 3.87Å; Y253-V255 HydrophobicContact CG-CG2 4.41Å; Y253-V255 PolarHBondContact O-N 2.8Å
254C60.2Low65Low121 Ų121117.6 Ų117.682%0.81862%0.622SS**  trans-73.661.1174.2-64.50000110.4H252H252-C254 PolarHBondContact O-N 3.28Å
255V69.3Low67.7Low46 Ų46116.2 Ų116.228%0.27961%0.61SS.*  trans-71.1138.2164145.60000108.5Y253 T259 E260Y253-V255 HydrophobicContact CD1-CB 3.93Å; Y253-V255 HydrophobicContact CD1-CG2 3.93Å; Y253-V255 HydrophobicContact CD2-CG2 4.38Å; Y253-V255 HydrophobicContact CE1-CB 3.68Å; Y253-V255 HydrophobicContact CE1-CG1 4.33Å; Y253-V255 HydrophobicContact CE1-CG2 3.38Å; Y253-V255 HydrophobicContact CE2-CG2 3.87Å; Y253-V255 HydrophobicContact CG-CG2 4.41Å; Y253-V255 PolarHBondContact O-N 2.8Å; V255-T259 HydrophobicContact CG1-CG2 3.85Å; V255-T259 HydrophobicContact CG2-CG2 4.25Å; V255-E260 HydrophobicContact CG1-CB 3.93Å
256D77.4Confident70Confident81 Ų81114.6 Ų114.643%0.43360%0.595SS.*  trans-69.7149.2175.963.2100.1000111N258 T259 E260D256-N258 PolarHBondContact O-N 3.12Å; D256-N258 VanDerWaalsContact O-N 3.07Å; D256-N258 WeakPolarHBondContact OD1-CB 3.34Å; D256-N258 PolarHBondContact OD1-N 2.91Å; D256-T259 VanDerWaalsContact CG-OG1 3.29Å; D256-T259 PolarHBondContact O-N 2.95Å; D256-T259 PolarHBondContact OD1-N 2.98Å; D256-T259 PolarHBondContact OD1-OG1 3.31Å; D256-T259 WeakPolarHBondContact OD2-CB 3.35Å; D256-T259 PolarHBondContact OD2-OG1 2.81Å; D256-E260 PolarHBondContact O-N 3.36Å
257E83.1Confident72.2Confident121 Ų121114.9 Ų114.957%0.56559%0.59SS**Hα-helixtrans-55.8-32-177-161.9-157.4123.200112.1E260 R261E257-E260 PolarHBondContact O-N 3.18Å; E257-R261 HydrophobicContact CG-CG 4.49Å; E257-R261 VanDerWaalsContact O-CB 3.31Å; E257-R261 WeakPolarHBondContact O-CB 3.24Å; E257-R261 VanDerWaalsContact O-CD 3.22Å; E257-R261 WeakPolarHBondContact O-CD 3.36Å; E257-R261 WeakPolarHBondContact O-CG 3.4Å; E257-R261 PolarHBondContact O-N 3.45Å; E257-R261 WeakPolarHBondContact OE1-CD 3.28Å; E257-R261 IonicContact OE1-CZ 3.38Å; E257-R261 IonicContact OE1-NE 3.11Å; E257-R261 IonicContact OE1-NH1 3.65Å; E257-R261 PolarHBondContact OE1-NH1 3.28Å
258N82.4Confident74.7Confident122 Ų122116.4 Ų116.465%0.65259%0.585SS**Hα-helixtrans-70.3-41.3178.3176.448.9000112D256 R262D256-N258 PolarHBondContact O-N 3.12Å; D256-N258 VanDerWaalsContact O-N 3.07Å; D256-N258 WeakPolarHBondContact OD1-CB 3.34Å; D256-N258 PolarHBondContact OD1-N 2.91Å; N258-R262 VanDerWaalsContact O-CB 3.31Å; N258-R262 WeakPolarHBondContact O-CB 3.44Å; N258-R262 PolarHBondContact O-N 3.16Å
259T86.3Confident76.6Confident44 Ų44115.1 Ų115.127%0.2758%0.575SS.*Hα-helixtrans-68.5-37.1170.8-63.80000112.3V255 D256 R262 N263V255-T259 HydrophobicContact CG1-CG2 3.85Å; V255-T259 HydrophobicContact CG2-CG2 4.25Å; D256-T259 VanDerWaalsContact CG-OG1 3.29Å; D256-T259 PolarHBondContact O-N 2.95Å; D256-T259 PolarHBondContact OD1-N 2.98Å; D256-T259 PolarHBondContact OD1-OG1 3.31Å; D256-T259 WeakPolarHBondContact OD2-CB 3.35Å; D256-T259 PolarHBondContact OD2-OG1 2.81Å; T259-R262 WeakPolarHBondContact O-CB 3.15Å; T259-R262 PolarHBondContact O-N 3.33Å; T259-N263 VanDerWaalsContact O-CG 3.24Å; T259-N263 PolarHBondContact O-N 3.03Å; T259-N263 PolarHBondContact O-ND2 3.49Å
260E90.8Very high78Confident125 Ų125109 Ų10958%0.58456%0.561SS**Hα-helixtrans-61.1-48.5172.7-174.8173.3-14700111V255 D256 E257 R262 N263 H264V255-E260 HydrophobicContact CG1-CB 3.93Å; D256-E260 PolarHBondContact O-N 3.36Å; E257-E260 PolarHBondContact O-N 3.18Å; E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 2.66Å; E260-N263 PolarHBondContact O-N 2.84Å; E260-H264 WeakPolarHBondContact O-CB 3.24Å; E260-H264 PolarHBondContact O-N 3.39Å
261R92.3Very high78.9Confident124 Ų124111.3 Ų111.347%0.46856%0.559SS.*Hα-helixtrans-60.5-39.8174.9-69.1162.783.3110.512111.8E257 H264 Y265E257-R261 HydrophobicContact CG-CG 4.49Å; E257-R261 VanDerWaalsContact O-CB 3.31Å; E257-R261 WeakPolarHBondContact O-CB 3.24Å; E257-R261 VanDerWaalsContact O-CD 3.22Å; E257-R261 WeakPolarHBondContact O-CD 3.36Å; E257-R261 WeakPolarHBondContact O-CG 3.4Å; E257-R261 PolarHBondContact O-N 3.45Å; E257-R261 WeakPolarHBondContact OE1-CD 3.28Å; E257-R261 IonicContact OE1-CZ 3.38Å; E257-R261 IonicContact OE1-NE 3.11Å; E257-R261 IonicContact OE1-NH1 3.65Å; E257-R261 PolarHBondContact OE1-NH1 3.28Å; R261-H264 PolarHBondContact O-N 2.93Å; R261-Y265 HydrophobicContact CB-CE2 4.38Å; R261-Y265 WeakPolarHBondContact O-CD2 3.29Å; R261-Y265 PolarHBondContact O-N 2.97Å
262R90.7Very high80.6Confident180 Ų180109.4 Ų109.468%0.67955%0.55SS*.Hα-helixtrans-61.7-43.7175.7-172.6-177.3-174.1-170.22.1111.9N258 T259 E260 L266N258-R262 VanDerWaalsContact O-CB 3.31Å; N258-R262 WeakPolarHBondContact O-CB 3.44Å; N258-R262 PolarHBondContact O-N 3.16Å; T259-R262 WeakPolarHBondContact O-CB 3.15Å; T259-R262 PolarHBondContact O-N 3.33Å; E260-R262 VanDerWaalsContact C-N 3.31Å; E260-R262 PolarHBondContact O-N 2.66Å; R262-L266 PolarHBondContact O-N 3.15Å; R262-L266 VanDerWaalsContact O-N 3.09Å
263N87.7Confident81Confident58 Ų58107.4 Ų107.431%0.3155%0.545SS..Hα-helixtrans-66.6-45.1176.6-67.3-20.8000110.8T259 E260 Y265 L266 D267T259-N263 VanDerWaalsContact O-CG 3.24Å; T259-N263 PolarHBondContact O-N 3.03Å; T259-N263 PolarHBondContact O-ND2 3.49Å; E260-N263 PolarHBondContact O-N 2.84Å; N263-Y265 VanDerWaalsContact C-N 3.32Å; N263-Y265 PolarHBondContact O-N 3.37Å; N263-L266 WeakPolarHBondContact O-CA 3.31Å; N263-L266 WeakPolarHBondContact O-CB 3.27Å; N263-L266 PolarHBondContact O-N 2.95Å; N263-D267 PolarHBondContact O-N 3.43Å
264H92.4Very high80.7Confident105 Ų105107.5 Ų107.549%0.48655%0.545SS..Hα-helixtrans-56.9-41.7175.9179.457.2000113E260 R261 L266 D267 L268E260-H264 WeakPolarHBondContact O-CB 3.24Å; E260-H264 PolarHBondContact O-N 3.39Å; R261-H264 PolarHBondContact O-N 2.93Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-D267 PolarHBondContact O-N 2.98Å; H264-L268 WeakPolarHBondContact NE2-CD1 3.41Å; H264-L268 WeakPolarHBondContact O-CB 3.38Å; H264-L268 WeakPolarHBondContact O-CG 3.04Å; H264-L268 PolarHBondContact O-N 3.47Å
265Y91.3Very high80.3Confident143 Ų143106.6 Ų106.656%0.56154%0.536SS*.Hα-helixtrans-70.4-26.8173.3-67.8-51.9000113.4R261 N263 L268 A269R261-Y265 HydrophobicContact CB-CE2 4.38Å; R261-Y265 WeakPolarHBondContact O-CD2 3.29Å; R261-Y265 PolarHBondContact O-N 2.97Å; N263-Y265 VanDerWaalsContact C-N 3.32Å; N263-Y265 PolarHBondContact O-N 3.37Å; Y265-L268 HydrophobicContact CD1-CD1 4.15Å; Y265-A269 VanDerWaalsContact O-CB 3.29Å; Y265-A269 WeakPolarHBondContact O-CB 3.3Å; Y265-A269 PolarHBondContact O-N 3.42Å; Y265-A269 VanDerWaalsContact O-N 3.07Å
266L89.7Confident79.3Confident82 Ų82108.7 Ų108.743%0.42955%0.552SS.*Hα-helixtrans-67.6-44.7172.7-142.279.8000111R262 N263 H264 A269 G270 I271R262-L266 PolarHBondContact O-N 3.15Å; R262-L266 VanDerWaalsContact O-N 3.09Å; N263-L266 WeakPolarHBondContact O-CA 3.31Å; N263-L266 WeakPolarHBondContact O-CB 3.27Å; N263-L266 PolarHBondContact O-N 2.95Å; H264-L266 VanDerWaalsContact C-N 3.33Å; L266-A269 PolarHBondContact O-N 3.3Å; L266-G270 PolarHBondContact O-N 2.7Å; L266-I271 HydrophobicContact CD1-CD1 4.36Å
267D85.8Confident77.9Confident127 Ų127116.1 Ų116.168%0.67957%0.574SS**Hα-helixtrans-65.7-45.3177.2-63.1-32.2000111.3N263 H264 A269 G270N263-D267 PolarHBondContact O-N 3.43Å; H264-D267 PolarHBondContact O-N 2.98Å; D267-A269 VanDerWaalsContact C-N 3.26Å; D267-A269 PolarHBondContact O-N 3.4Å; D267-G270 PolarHBondContact O-N 2.98Å
268L89.8Confident75.8Confident118 Ų118119.6 Ų119.662%0.61859%0.588SS**Hα-helixtrans-61.9-31.1175-77.4176.7000113.3H264 Y265 G270H264-L268 WeakPolarHBondContact NE2-CD1 3.41Å; H264-L268 WeakPolarHBondContact O-CB 3.38Å; H264-L268 WeakPolarHBondContact O-CG 3.04Å; H264-L268 PolarHBondContact O-N 3.47Å; Y265-L268 HydrophobicContact CD1-CD1 4.15Å; L268-G270 PolarHBondContact O-N 3.27Å
269A84.6Confident74Confident60 Ų60122.9 Ų122.950%0.49660%0.599SS.*THydrogen-bonded Turntrans-73.1-13.9176.200000112.9Y265 L266 D267 I271Y265-A269 VanDerWaalsContact O-CB 3.29Å; Y265-A269 WeakPolarHBondContact O-CB 3.3Å; Y265-A269 PolarHBondContact O-N 3.42Å; Y265-A269 VanDerWaalsContact O-N 3.07Å; L266-A269 PolarHBondContact O-N 3.3Å; D267-A269 VanDerWaalsContact C-N 3.26Å; D267-A269 PolarHBondContact O-N 3.4Å; A269-I271 HydrophobicContact CB-CD1 4.46Å; A269-I271 HydrophobicContact CB-CG1 3.99Å; A269-I271 PolarHBondContact O-N 2.99Å; A269-I271 VanDerWaalsContact O-N 3.09Å
270G80.4Confident71.6Confident56 Ų56123.9 Ų123.958%0.57762%0.618SS**THydrogen-bonded Turntrans63.713.4177.500000114.7L266 D267 L268 E272L266-G270 PolarHBondContact O-N 2.7Å; D267-G270 PolarHBondContact O-N 2.98Å; L268-G270 PolarHBondContact O-N 3.27Å; G270-E272 PolarHBondContact O-N 3.26Å
271I69.4Low69.2Low108 Ų108124.5 Ų124.555%0.55463%0.63SS**  trans-81.764.7-177.153.3167.8000111.5L266 A269 N273L266-I271 HydrophobicContact CD1-CD1 4.36Å; A269-I271 HydrophobicContact CB-CD1 4.46Å; A269-I271 HydrophobicContact CB-CG1 3.99Å; A269-I271 PolarHBondContact O-N 2.99Å; A269-I271 VanDerWaalsContact O-N 3.09Å; I271-N273 PolarHBondContact O-N 3.28Å
272E75.2Confident66.6Low127 Ų127125.9 Ų125.959%0.59365%0.647SS**  trans-51.8130.8166.443.4172.7-16800110.1G270 Y274G270-E272 PolarHBondContact O-N 3.26Å; E272-Y274 VanDerWaalsContact C-N 3.32Å; E272-Y274 VanDerWaalsContact CD-CE2 3.49Å; E272-Y274 VanDerWaalsContact CD-OH 3.27Å; E272-Y274 HydrophobicContact CG-CD2 4.15Å; E272-Y274 HydrophobicContact CG-CE2 3.54Å; E272-Y274 WeakPolarHBondContact O-CD2 3.42Å; E272-Y274 PolarHBondContact O-N 3.42Å; E272-Y274 WeakPolarHBondContact OE1-CE2 3.35Å; E272-Y274 VanDerWaalsContact OE1-CZ 3.23Å; E272-Y274 PolarHBondContact OE1-OH 2.86Å
273N63.2Low64.4Low123 Ų123123 Ų12366%0.65865%0.652SS**  trans-77.377.8-163-104.9-94.8000112.3I271 T275I271-N273 PolarHBondContact O-N 3.28Å; N273-T275 PolarHBondContact O-N 3.12Å
274Y52.8Low61.8Low187 Ų187127.6 Ų127.673%0.73368%0.677SS**  trans-70.762.9168.2-68.9-69.9000111.8E272 S276E272-Y274 VanDerWaalsContact C-N 3.32Å; E272-Y274 VanDerWaalsContact CD-CE2 3.49Å; E272-Y274 VanDerWaalsContact CD-OH 3.27Å; E272-Y274 HydrophobicContact CG-CD2 4.15Å; E272-Y274 HydrophobicContact CG-CE2 3.54Å; E272-Y274 WeakPolarHBondContact O-CD2 3.42Å; E272-Y274 PolarHBondContact O-N 3.42Å; E272-Y274 WeakPolarHBondContact OE1-CE2 3.35Å; E272-Y274 VanDerWaalsContact OE1-CZ 3.23Å; E272-Y274 PolarHBondContact OE1-OH 2.86Å; Y274-S276 PolarHBondContact O-N 2.9Å
275T51.8Low58.8Low102 Ų102128.6 Ų128.663%0.62669%0.694SS**  trans-73.467.8169.951.50000110.5N273 R277N273-T275 PolarHBondContact O-N 3.12Å; T275-R277 PolarHBondContact O-N 3.3Å; T275-R277 VanDerWaalsContact O-N 3.17Å
276S47.7Very low56.3Low89 Ų89127.5 Ų127.562%0.62270%0.704SS**  trans28.574.1160.6-179.90000115.4Y274 F278Y274-S276 PolarHBondContact O-N 2.9Å; S276-F278 PolarHBondContact O-N 3.33Å
277R48.4Very low54.1Low237 Ų237128.6 Ų128.689%0.89473%0.725SS**  trans-70.773.8164.4-67.5-69.7-175.8156.41.9109.4T275 E279T275-R277 PolarHBondContact O-N 3.3Å; T275-R277 VanDerWaalsContact O-N 3.17Å; R277-E279 PolarHBondContact O-N 3.05Å
278F40.2Very low51.7Low194 Ų194132 Ų13285%0.85174%0.737SS**  trans-70.5117.5172.2-124.7-77.7000108.6S276 G280S276-F278 PolarHBondContact O-N 3.33Å; F278-G280 PolarHBondContact O-N 2.87Å
279E43.3Very low49.1Very low192 Ų192134.7 Ų134.790%0.89775%0.746SS**  trans-81.388.2-166.7-166.3164.9-161.400111.1R277R277-E279 PolarHBondContact O-N 3.05Å
280G37Very low46.8Very low64 Ų64137.4 Ų137.466%0.6676%0.757SS**PPolyproline II helixtrans-91.5126170.800000111.3F278F278-G280 PolarHBondContact O-N 2.87Å
281T40Very low44.5Very low138 Ų138144 Ų14485%0.84777%0.773SS**PPolyproline II helixtrans-68.6134.8-175.347.90000113.8
282N37Very low42.9Very low153 Ų153144.2 Ų144.282%0.81878%0.779SS**PPolyproline II helixtrans-67.5167.8172.5-51.9-72.7000112.4
283P43.8Very low41Very low121 Ų121149.3 Ų149.379%0.78679%0.792SS**  -140.2179.589.239.8-26.2000115.5
284D34.8Very low39.5Very low154 Ų154148.3 Ų148.382%0.82480%0.795SS**  trans-61.7147.9-169.5-55.6-104.3000118.1
285C28.1Very low38.5Very low125 Ų125143.8 Ų143.885%0.84579%0.791SS**  trans-159.1160.9131.3-104.90000111.4
286P39.8Very low38Very low120 Ų120146.9 Ų146.978%0.77980%0.798SS**  trans-91.6176.6-154.236.2-38.7000116
287A42.7Very low37.3Very low105 Ų105148.3 Ų148.387%0.86881%0.808SS**  trans-59145.9178.400000114.1
288Q35.1Very low37.1Very low198 Ų198145 Ų14593%0.92580%0.803SS**  trans-133.6133.7160.1-166.5169.721.300109.8
289E35.8Very low36.7Very low175 Ų175141.4 Ų141.482%0.81880%0.802SS**  trans-95.5154.4-175.1-158.9-17815800111.1
290T37.3Very low36.5Very low118 Ų118143 Ų14372%0.72480%0.8SS**  trans68105167.3-41.10000117.9
291Q32Very low36.4Very low195 Ų195145.7 Ų145.791%0.91181%0.809SS**  -146.2146.4128.7-163.4156.5-34.300112.2
292V35Very low36.4Very low111 Ų111150 Ų15067%0.67381%0.809SS**  trans-106.1152.6-174.5162.30000110.7
293R36Very low36.3Very low234 Ų234148.5 Ų148.588%0.88381%0.81SS**  trans79.5116.3165.6-86.8169.8-175.9-1671.5119.8
294S32Very low35.8Very low102 Ų102150.4 Ų150.471%0.71381%0.809SS**  98.9145.6114-166.60000120.6
295S30.1Very low35.8Very low92 Ų92151.1 Ų151.164%0.64381%0.807SS**  trans71.8103.7151.3250000119.9
296Q43Very low36.4Very low168 Ų168150.1 Ų150.179%0.78580%0.799SS**  58.9107.5115-173.7178.7-7.100118.7
297S32.3Very low36.2Very low119 Ų119153.7 Ų153.783%0.83281%0.805SS**  trans-128111.6162.1-62.80000110.6
298Q43.1Very low35.7Very low167 Ų167152.9 Ų152.978%0.7880%0.798SS**  trans-80.1143.4162.1-68.5177.8-14.100109
299S32.9Very low35.6Very low119 Ų119151.9 Ų151.983%0.83279%0.794SS**  trans-132.183.6167.7-69.60000110.7
300R38.6Very low35.5Very low225 Ų225149.7 Ų149.785%0.84979%0.792SS**  trans-76.9128.4158.2-97.9179.6162.7-177.3-2.9108.1
301S35.8Very low35.2Very low121 Ų121149.3 Ų149.385%0.84679%0.789SS**  trans-117135.6162.4-67.50000109.9
302R39.1Very low35.3Very low229 Ų229147.4 Ų147.486%0.86478%0.78SS**  trans-125.9124.8178.6-97.5180161.5-179.9-8.1109.1
303S34.9Very low35.3Very low120 Ų120149.6 Ų149.684%0.83978%0.783SS**  trans-169.7146.8165.844.30000107.7
304H32.6Very low35.2Very low162 Ų162149.6 Ų149.675%0.7578%0.783SS**  cis-156.6124-12.3167.8-64.2000107.2
305E36.4Very low35.3Very low169 Ų169155.7 Ų155.779%0.7979%0.79SS**  trans-84.5136.9177.8-101.5-74.19400111.6
306P39.4Very low35.6Very low103 Ų103156.7 Ų156.767%0.66980%0.797SS**  trans-110.9102.4172.835.7-24.3000112.8
307E36.5Very low35.3Very low195 Ų195157 Ų15791%0.91180%0.799SS**  trans-99.3110.9175.5-171.8-169.1144.800112.3
308A32.4Very low35.4Very low88 Ų88156.9 Ų156.973%0.72779%0.792SS**  trans-177.8152.6158.700000110.9
309Q32.5Very low35.3Very low178 Ų178156.2 Ų156.283%0.83279%0.793SS**  cis-162.5133.8-21.5-110.9-172.4-7.900108.2
310V32.6Very low35.3Very low128 Ų128152.6 Ų152.678%0.77677%0.774SS**  trans49.5152.3148.8-155.20000121.2
311V31Very low35Very low111 Ų111150.3 Ų150.367%0.67377%0.773SS**  trans116.8100.2148.8-172.80000118.1
312H35.8Very low34.8Very low154 Ų154149.9 Ų149.971%0.71377%0.77SS**  trans88.1118.9140.6-72.4-13000125.6
313H33.9Very low34.3Very low158 Ų158148.7 Ų148.773%0.73177%0.767SS**  trans66.2102.2133.1-65.8116.1000122.2
314R35.1Very low34.3Very low233 Ų233148.7 Ų148.788%0.87976%0.757SS**  -167.7115.296.9-105.9-177.3-179.4-131.51115.8
315R33.7Very low35.4Very low231 Ų231145.8 Ų145.887%0.87275%0.753SS**  trans32.6104.4132.8-169.4-170.6-165.4-169.36.4119
316S35.1Very low35.1Very low112 Ų112142.6 Ų142.678%0.78376%0.756SS**  -161.2142.597.9-155.40000113
317Q38.3Very low35.1Very low176 Ų176146.5 Ų146.582%0.82277%0.765SS**  trans-96.9-175.3156.4-58.4-168.123.800107.9
318V34.3Very low35.8Very low116 Ų116142.4 Ų142.470%0.70376%0.755SS**  cis-149171.617.8-77.30000107.4
319I39.3Very low35.9Very low153 Ų153149.6 Ų149.679%0.78576%0.763SS**  cis-132.5163.36-92108.9000105.9
320G33.7Very low35.9Very low43 Ų43145 Ų14544%0.44376%0.756SS.*  cis130.4126.22.600000111.8
321E31.9Very low36.2Very low177 Ų177149.1 Ų149.183%0.82776%0.764SS**  trans58.2148.8168-64.892.4-97.100120.1
322S32.8Very low36.2Very low111 Ų111147.7 Ų147.778%0.77677%0.772SS**  cis-155162.3-6.2-121.40000116.1
323Y27.2Very low36.3Very low204 Ų204144.7 Ų144.780%0.877%0.774SS**  trans-40.6131.4173.8-152.7-114.6000116.3
324N36.4Very low36.5Very low120 Ų120145.1 Ų145.164%0.64278%0.776SS**  96.3-177.270.2-139.41.4000113.2
325P55.5Low36.7Very low102 Ų102142.3 Ų142.366%0.66277%0.77SS**  -121.6157.9-115.540.4-25.2000117.9
326A29.4Very low36.9Very low102 Ų102138 Ų13884%0.84376%0.764SS**  trans-162.8139.8159.600000114.6
327E39.6Very low36.8Very low185 Ų185141.1 Ų141.186%0.86476%0.763SS**  trans-104.8-179.5151.9-66.4-16299.800108.4
328P50.8Low36.8Very low109 Ų109138.1 Ų138.171%0.70876%0.762SS**  cis-139.1-173.81.839.8-19.6000116.7
329R34Very low37.5Very low238 Ų238138.7 Ų138.790%0.89877%0.768SS**  trans96.8119.9135.8-165.9173.6-172.6105.2-3.9121.9
330A34Very low37.7Very low82 Ų82141.7 Ų141.768%0.67878%0.775SS**  trans86.1116.5142.700000123.8
331K38.8Very low37.7Very low214 Ų214143.2 Ų143.293%0.9379%0.791SS**  trans46.2114.6131.6-61.1-172178.3-174.10120.7
332G29.4Very low38.2Very low82 Ų82139.8 Ų139.885%0.84579%0.793SS**  trans-173.1144.5154.200000110.8
333A39.3Very low38.1Very low91 Ų91145.7 Ų145.775%0.75280%0.8SS**  trans-144.3138.2-177.700000112.1
334Q38.7Very low38.9Very low166 Ų166145.6 Ų145.678%0.77680%0.804SS**  trans-156.8128.9163.6-73.6-60.1-84.500110.3
335F37.3Very low38.8Very low174 Ų174143.5 Ų143.576%0.76381%0.81SS**  trans36.1153.4148.5-59.2-76.7000122.6
336L39.7Very low37.8Very low140 Ų140145.1 Ų145.173%0.73382%0.824SS**  cis-149.4149.536-74.9160.3000114.5
337K32.5Very low37.8Very low178 Ų178143.9 Ų143.977%0.77482%0.821SS**  trans37.1116.7143.5-63.4172.3-178.8175.20120
338S37.5Very low37.6Very low114 Ų114138.7 Ų138.780%0.79782%0.817SS**  84.4155.863.3-67.50000114.8
339P49.7Very low36.9Very low128 Ų128140.4 Ų140.483%0.83182%0.82SS**  cis-131-178.2-11.337.3-18.9000115.1
340K42.8Very low37.1Very low215 Ų215136 Ų13694%0.93582%0.815SS**  trans-134145.4166.2-176.7176.2-177.4175.50108.9
341G33.8Very low37Very low76 Ų76135.7 Ų135.778%0.78482%0.819SS**  trans-162.6149.1178.800000113.4
342A42.5Very low36.6Very low104 Ų104129.7 Ų129.786%0.8682%0.818SS**  trans-158.7156.5-178.400000111
343Y31.7Very low36.7Very low235 Ų235128.9 Ų128.992%0.92281%0.81SS**  trans-151.917416765.2-92.9000113.5
344K43.1Very low36.5Very low203 Ų203134.9 Ų134.988%0.88382%0.819SS**  trans-87.4164.7-167.1-59.4174.6173.11800114.4
345G34.7Very low36.3Very low75 Ų75131.9 Ų131.977%0.77382%0.817SS**  trans171.297.6145.700000118.7
346S33.5Very low36Very low137 Ų137130.5 Ų130.596%0.95882%0.817SS**  trans17.2146.4147.4-154.10000123.3
347G30.5Very low35.7Very low76 Ų76133 Ų13378%0.78482%0.822SS**  trans144129.3157.800000113.3
348G35.3Very low35.7Very low76 Ų76129.1 Ų129.178%0.78482%0.816SS**  trans-134.8176.6-171.400000117.1
349N37.1Very low35.4Very low144 Ų144131.4 Ų131.477%0.7781%0.814SS**  trans103.4145.2148.2-152.531.3000120.2
350N36.5Very low34.2Very low147 Ų147128.6 Ų128.679%0.78681%0.808SS**  trans65144.4171.3-60.8-30.5000119
351G32.6Very low33.5Very low74 Ų74129 Ų12976%0.76381%0.805SS**  cis163.4135.3-12.800000115.5
352G29.8Very low33.4Very low89 Ų89133.6 Ų133.692%0.91881%0.806SS**  trans77.3156.6170.300000116.6
353G32Very low34.2Very low65 Ų65133.1 Ų133.167%0.6779%0.794SS**  cis134136.2-12.600000114.8
354K34.9Very low35Very low217 Ų217127.2 Ų127.294%0.94378%0.784SS**  trans57.5160.3168.457.4169.9178.7-178.90117.7
355S35.4Very low34.5Very low103 Ų103124.9 Ų124.972%0.7278%0.78SS**  cis-171167.2-28.1-178.80000109.7
356N31.3Very low34.4Very low145 Ų145129.5 Ų129.578%0.77578%0.781SS**  trans-21.3142.1172.3-50.8-7.9000119.8
357K32.2Very low34.2Very low193 Ų193127.7 Ų127.784%0.83977%0.765SS**  -161.5166.9118.4-139.271.9-179.8-1710113.3
358C32.6Very low34.5Very low96 Ų96131.8 Ų131.865%0.64977%0.766SS**  trans-126.4-163.8-177.652.90000111.2
359H30.6Very low34.2Very low162 Ų162134.2 Ų134.275%0.7576%0.76SS**  trans84.8146.5-175.2-4781.9000114.8
360G26.4Very low34.1Very low68 Ų68136 Ų13670%0.70176%0.763SS**  cis165.7178.7-700000113.8
361Y28Very low33.8Very low224 Ų224132.8 Ų132.888%0.87877%0.765SS**  trans89.399.6166.1-66.4-83.4000123.1
362H30.1Very low33.6Very low173 Ų173132.9 Ų132.980%0.80177%0.766SS**  65.2139.7117.1-148-89.5000124.4
363P60.9Low33.7Very low93 Ų93136.6 Ų136.660%0.60477%0.765SS**  trans-114.5-163.1-179.545.4-37.8000115
364P46.8Very low33.9Very low111 Ų111138.2 Ų138.272%0.72177%0.772SS**  trans-137.6128147.536-20.6000117.4
365I32.4Very low33.9Very low155 Ų155132.4 Ų132.480%0.79577%0.765SS**  70.6138.8103.8-30.9175.8000119.3
366Q33.5Very low33.7Very low171 Ų171130.7 Ų130.780%0.79976%0.763SS**  trans103.7144.7154.4-59.5-163.893.900117.9
367T30.2Very low33.9Very low100 Ų100133.1 Ų133.161%0.61377%0.769SS**  cis-171.3144.7-7.122.30000113.1
368M36.2Very low33.7Very low162 Ų162127.6 Ų127.680%0.79877%0.767SS**  trans58172.6145.6-57.2-43.1-176.100120.4
369L29Very low33.6Very low126 Ų126126.5 Ų126.566%0.6677%0.772SS**  cis-161.4163.6-34.7-105170.7000111.7
370H35.3Very low33.8Very low181 Ų181127.5 Ų127.584%0.83878%0.777SS**  trans64.9159.2166.9-58-13.8000117.3
371G29.7Very low34.2Very low81 Ų81131.6 Ų131.684%0.83578%0.783SS**  cis151.8134.9-1700000115.7
372G29Very low34.6Very low76 Ų76126.4 Ų126.478%0.78477%0.774SS**  trans118.798.3144.600000122.3
373N32Very low34.9Very low167 Ų167128.4 Ų128.489%0.89378%0.776SS**  trans51.7144.4134.2-82.717.4000126.7
374A35.2Very low33.5Very low98 Ų98133.1 Ų133.181%0.8179%0.79SS**  trans79156.8138.300000121
375A35.1Very low33.3Very low96 Ų96134.7 Ų134.779%0.79379%0.791SS**  cis-173.1163.2-28.200000111.4
376G30.3Very low33.6Very low66 Ų66133.1 Ų133.168%0.6879%0.791SS**  trans82.1157.9169.500000114.9
377H37.3Very low33.6Very low196 Ų196133 Ų13391%0.90779%0.791SS**  cis-143169.3-3.8-71.2-101000107.6
378G27.9Very low33.7Very low78 Ų78137.9 Ų137.980%0.80481%0.806SS**  cis130.4106.9200000111.8
379G30.4Very low33.4Very low73 Ų73134.4 Ų134.475%0.75380%0.804SS**  trans129.3117.9-175.200000111
380Q35.1Very low34.6Very low183 Ų183133.8 Ų133.886%0.85581%0.807SS**  cis77.192.619-58.4-75.2600116.6
381D34.6Very low34.6Very low154 Ų154130.9 Ų130.982%0.82480%0.804SS**  trans173.3158.8140.5-101.4-11.8000109.2
382V35.2Very low34.6Very low114 Ų114132.5 Ų132.569%0.69180%0.803SS**  cis-159.4159.7-39.4113.10000107.3
383Y36.3Very low34.6Very low216 Ų216132.1 Ų132.185%0.84779%0.792SS**  trans-65.7141.7-174-59.5-96.1000115.3
384H33Very low34.6Very low192 Ų192132 Ų13289%0.88979%0.786SS**  trans-143.9130.7139.8-81.1-54000112.5
385L40.9Very low34.5Very low143 Ų143135 Ų13575%0.74978%0.783SS**  trans-129.2130.2173.7179.479000108.6
386P38.8Very low34.3Very low123 Ų123139.3 Ų139.380%0.79979%0.786SS**  trans-100.8114.1164.633-25.5000111
387H34.3Very low34.7Very low169 Ų169144.7 Ų144.778%0.78279%0.793SS**  trans-92.1125.1164.8-121.374.2000108.9
388Q31.2Very low34.9Very low201 Ų201140.6 Ų140.694%0.93979%0.785SS**  trans-160.6147.3156.1-120.7173.165.200112.8
389A30.8Very low35.7Very low90 Ų90144 Ų14474%0.74478%0.784SS**  trans-165.6-175.5-177.300000107.9
390P54.3Low35.9Very low112 Ų112149.2 Ų149.273%0.72779%0.788SS**  -114.5-177.6-53.538.1-27.1000111.2
391P35.3Very low35.9Very low120 Ų120147.2 Ų147.278%0.77978%0.779SS**  -129.5145.8111.612.97.2000111.6
392S29.6Very low35.7Very low115 Ų115145.5 Ų145.580%0.80478%0.779SS**  63.5129.269.4-97.60000114.1
393A29.2Very low36.1Very low68 Ų68147.2 Ų147.256%0.56278%0.779SS**  cis-159.9166.92.700000113.6
394H30.9Very low36.1Very low165 Ų165142.1 Ų142.176%0.76478%0.775SS**  trans65.5159.7161-58.8-51.5000119.4
395H33.6Very low36.5Very low161 Ų161142.1 Ų142.175%0.74577%0.772SS**  cis176.8160.3-46.6-101.1-4.4000108.7
396Q32Very low36.4Very low186 Ų186146.1 Ų146.187%0.86978%0.777SS**  trans84.4124.8160.9-43.7-151.78.400120.4
397H38.4Very low36.5Very low179 Ų179147.8 Ų147.883%0.82978%0.779SS**  trans-65.9162147.7-72.2-83.5000109.7
398P41.6Very low36.5Very low111 Ų111148.4 Ų148.472%0.72178%0.779SS**  cis-153.1-177.547.943-20.9000118.8
399L44.1Very low36.7Very low150 Ų150143.6 Ų143.679%0.78577%0.774SS**  trans10.2127.9150.5-60.2168.3000118.8
400Q35.3Very low37.1Very low182 Ų182150 Ų15085%0.8578%0.778SS**  -153.6151.2128-95.1-33.6-66.800114.9
401H35.2Very low36Very low141 Ų141148.9 Ų148.965%0.65378%0.779SS**  trans-91.2121.5175.9178.839.9000109.6H403H401-H403 AromaticContact CD2-NE2 3.74Å; H401-H403 AromaticContact CE1-CE1 3.92Å; H401-H403 AromaticContact NE2-CD2 3.98Å; H401-H403 AromaticContact NE2-CE1 3.33Å; H401-H403 PolarHBondContact NE2-CE1 3.4Å; H401-H403 VanDerWaalsContact NE2-CE1 3.33Å; H401-H403 AromaticContact NE2-ND1 3.99Å; H401-H403 AromaticContact NE2-NE2 3.35Å; H401-H403 PolarHBondContact NE2-NE2 3.42Å
402S30.3Very low35.9Very low118 Ų118153.8 Ų153.883%0.82578%0.782SS**  trans-101.888.6-175.6-168.70000112.6
403H42.9Very low36.1Very low150 Ų150154.9 Ų154.969%0.69478%0.779SS**  trans-76.6142.9159.7-68.6-60.3000110.3H401H401-H403 AromaticContact CD2-NE2 3.74Å; H401-H403 AromaticContact CE1-CE1 3.92Å; H401-H403 AromaticContact NE2-CD2 3.98Å; H401-H403 AromaticContact NE2-CE1 3.33Å; H401-H403 PolarHBondContact NE2-CE1 3.4Å; H401-H403 VanDerWaalsContact NE2-CE1 3.33Å; H401-H403 AromaticContact NE2-ND1 3.99Å; H401-H403 AromaticContact NE2-NE2 3.35Å; H401-H403 PolarHBondContact NE2-NE2 3.42Å
404S36.8Very low36.3Very low108 Ų108156.4 Ų156.476%0.75579%0.785SS**  trans-136.5114.1162.6-167.90000111.3
405K41.5Very low36.4Very low192 Ų192156.4 Ų156.484%0.83579%0.788SS**  trans-101.1123.9172.1-67.1176.1179.8173.80109.1
406R39.3Very low36.5Very low228 Ų228154.4 Ų154.486%0.8679%0.792SS**  trans-135104.5155.6-67.6-167.2-176.3-149.7-0.1107.9
407L39.1Very low37.1Very low158 Ų158151.1 Ų151.183%0.82779%0.786SS**  84.77279.6-80.3167.3000113.5A409L407-A409 PolarHBondContact O-N 3.32Å
408K35.5Very low36.8Very low181 Ų181148.8 Ų148.879%0.78779%0.785SS**  trans4106.3136.6-179.8-178.1178.4178.60115.6R410K408-R410 HydrophobicContact CG-CG 4.23Å
409A36Very low36.4Very low100 Ų100153.1 Ų153.183%0.82679%0.792SS**  trans-83.2131.4156.500000110L407L407-A409 PolarHBondContact O-N 3.32Å
410R38.2Very low35.9Very low224 Ų224152.2 Ų152.285%0.84579%0.794SS**  trans-151105.3172-94.7-66.5-173.1166.51111.1K408K408-R410 HydrophobicContact CG-CG 4.23Å
411A30.9Very low36.2Very low90 Ų90148.5 Ų148.574%0.74479%0.785SS**  trans-145.2121.4156.400000104.1
412R34.3Very low35.9Very low223 Ų223149.7 Ų149.784%0.84280%0.795SS**  68.4135.890.2-92.7-172.2175162.6-0.6112
413D32.2Very low36.2Very low138 Ų138150 Ų15074%0.73879%0.793SS**  cis-127.5168.619.4-83.9-63.9000116
414S34.5Very low36.1Very low99 Ų99148.7 Ų148.769%0.69280%0.797SS**  trans-82.8151.5168.2510000111.9
415M32.4Very low35.9Very low166 Ų166150.2 Ų150.282%0.81879%0.793SS**  163.1124.2128.2-85.6-82.6-9200111
416S35.6Very low36.1Very low118 Ų118146 Ų14683%0.82578%0.784SS**  trans-108141.1156.1-59.80000107.9
417P44.3Very low35.9Very low117 Ų117141.7 Ų141.776%0.7677%0.774SS**  -141.2158.7128.836-22.9000115.1
418T33.5Very low35.7Very low131 Ų131141.7 Ų141.780%0.80477%0.769SS**  trans-65.1139.6-179.1-37.60000114.3
419K32.7Very low35.6Very low201 Ų201139.6 Ų139.687%0.87476%0.762SS**  170.3145.6125.4-91.8159.5-174.9-179.60114.1
420T34.3Very low35.4Very low132 Ų132142.4 Ų142.481%0.8176%0.758SS**  trans-80.6173.7161.1420000110.2
421P41.3Very low35.1Very low104 Ų104140 Ų14068%0.67576%0.757SS**  cis-146.9-167.421.445.5-25.1000117.7
422L29.2Very low35.9Very low165 Ų165141.3 Ų141.386%0.86476%0.758SS**  trans80.4140.2154.9-69171.5000122.1
423T35Very low35.7Very low126 Ų126134.9 Ų134.977%0.77375%0.752SS**  trans-80.9163.3167.50.30000111.4
424P40.8Very low35.8Very low122 Ų122136.4 Ų136.479%0.79276%0.757SS**  -148.8177.670.140-19.7000117.7
425Q33.6Very low36.5Very low140 Ų140137 Ų13765%0.65476%0.758SS**  trans-73.5168.7167-149.3-156.828.100110.9H427Q425-H427 PolarHBondContact OE1-ND1 3.05Å; Q425-H427 VanDerWaalsContact OE1-ND1 3.16Å
426P44.7Very low36.5Very low102 Ų102133.7 Ų133.766%0.66275%0.751SS**  -149.612993.233.9-14.5000117.5
427H34.8Very low36.2Very low139 Ų139135.8 Ų135.864%0.64475%0.75SS**  trans55.3-163.4151.2-39.1-33.5000115.3Q425Q425-H427 PolarHBondContact OE1-ND1 3.05Å; Q425-H427 VanDerWaalsContact OE1-ND1 3.16Å
428H35.3Very low35.9Very low157 Ų157138.2 Ų138.273%0.72776%0.756SS**  cis-155.6165.6-21.5-130.55.4000106.6
429Q33.4Very low36.5Very low137 Ų137138.1 Ų138.164%0.6476%0.758SS**  cis-136.2-150.5-2.5-143.9174.4104.900105.4
430Q32.6Very low36.5Very low159 Ų159131.5 Ų131.574%0.74375%0.747SS**  cis-151-159.5-2.5-153.7163.453.500108.8
431Q31.9Very low36.7Very low175 Ų175134.7 Ų134.782%0.81875%0.754SS**  trans-156.6174.8179.3-109.5-168.718.600110
432P47.3Very low36.6Very low117 Ų117139 Ų13976%0.7677%0.766SS**  cis-113.6-152.519.732.9-10.7000112
433A29.7Very low37.3Very low87 Ų87140.5 Ų140.572%0.71976%0.76SS**  cis-156.9-178.611.900000114.1
434M34.9Very low37.5Very low170 Ų170143.8 Ų143.884%0.83777%0.766SS**  trans-148176.4176.7-77.8-63.7-78.500107.9
435P48.5Very low37.6Very low112 Ų112145.2 Ų145.273%0.72776%0.763SS**  cis-127-162.99.344.2-25.7000112.2
436S33.4Very low37.7Very low96 Ų96143.2 Ų143.267%0.67177%0.77SS**  cis-160.9-178.410.8-144.70000108.2
437M29.8Very low37.5Very low163 Ų163143.9 Ų143.980%0.80378%0.777SS**  cis-142.4178.49.2-64.8-173.7168.300110.7
438L36.7Very low37.5Very low167 Ų167140.9 Ų140.987%0.87478%0.783SS**  trans-128.8155.8149.8-73.3174.8000109
439P46.6Very low37.9Very low130 Ų130139.2 Ų139.284%0.84479%0.787SS**  -141.6161.3109.738.4-26.8000113.4
440G32.2Very low38.8Very low62 Ų62139 Ų13964%0.63980%0.798SS**  cis151.9148.1-7.500000112.8
441M39.6Very low39.3Very low198 Ų198135 Ų13598%0.97580%0.798SS**  trans68.9154.8172-55.2175.2-176.900114.1
442E38.5Very low39.7Very low195 Ų195132 Ų13291%0.91180%0.797SS**  cis-121.8-176.417.9-165.6164.284.700113.7
443R43.7Very low39.9Very low196 Ų196132.5 Ų132.574%0.7480%0.8SS**  trans-149.2129.4-167.2168.7-155.3-168.7164.84.3110.3
444E39.7Very low40.6Very low195 Ų195131.6 Ų131.691%0.91180%0.799SS**  trans-136149.4154.3-163.7161.191.500110.9
445Q43.3Very low41.2Very low153 Ų153131.1 Ų131.172%0.71580%0.798SS**  trans-145.8114-175.4-72.5-178.8-12.500111.4
446A35Very low41.7Very low98 Ų98132.1 Ų132.181%0.8180%0.802SS**  trans-168.3151.9158.700000110.4
447S41.1Very low42.9Very low115 Ų115133 Ų13380%0.80480%0.803SS**  cis-166.9106.9-29.751.70000110.7
448G33.8Very low44.1Very low76 Ų76130.1 Ų130.178%0.78480%0.797SS**  trans73.4177.5171.200000116.7
449P45.1Very low45.4Very low122 Ų122128.4 Ų128.479%0.79279%0.793SS**  cis-102.1169.8-13.639.5-31.4000112.6
450P50.5Low46.1Very low134 Ų134127.8 Ų127.887%0.8779%0.787SS**  trans-87.1140178.933.8-33.4000113.2
451G45Very low47.8Very low73 Ų73131.9 Ų131.975%0.75379%0.789SS**  trans132.378.4158.900000117.1
452S40.4Very low49Very low114 Ų114133.2 Ų133.280%0.79778%0.783SS**  trans-162.6136150.8-82.30000109.8G454S452-G454 PolarHBondContact O-N 2.85Å
453P51.3Low50.3Low126 Ų126130.7 Ų130.782%0.81877%0.771SS**  trans-70.1118.617329-32.3000109.4I455P453-I455 PolarHBondContact O-N 3.15Å
454G43.7Very low51.4Low69 Ų69129 Ų12971%0.71177%0.772SS**  trans-63.3127.4178.800000111.5S452 V456S452-G454 PolarHBondContact O-N 2.85Å; G454-V456 PolarHBondContact O-N 3.43Å
455I46.6Very low52.8Low159 Ų159126.5 Ų126.582%0.81576%0.76SS**  trans-69.8102.9174.5-61.6174000108.2P453 V457P453-I455 PolarHBondContact O-N 3.15Å; I455-V457 PolarHBondContact O-N 3Å; I455-V457 VanDerWaalsContact O-N 3.14Å
456V59.4Low53.9Low134 Ų134126.2 Ų126.281%0.81276%0.758SS**  trans-72.5103.7171.8-1780000108.2G454 P458G454-V456 PolarHBondContact O-N 3.43Å; V456-P458 WeakPolarHBondContact O-CD 3.32Å
457V58.1Low55.6Low114 Ų114128.9 Ų128.969%0.69175%0.753SS**  trans-68.3120.2173.8-179.70000108.6I455 V459I455-V457 PolarHBondContact O-N 3Å; I455-V457 VanDerWaalsContact O-N 3.14Å; V457-V459 PolarHBondContact O-N 3.25Å
458P56.4Low56.7Low102 Ų102132.3 Ų132.366%0.66276%0.756SS**  trans-69.9123.3177.228-33000109.9V456 V460V456-P458 WeakPolarHBondContact O-CD 3.32Å; P458-V460 PolarHBondContact O-N 2.85Å; P458-V460 VanDerWaalsContact O-N 3.11Å
459V62.8Low58.5Low132 Ų132135.8 Ų135.880%0.875%0.752SS**  trans-66.7110.2171.8175.90000108.4V457 Q461V457-V459 PolarHBondContact O-N 3.25Å; V459-Q461 PolarHBondContact O-N 3.21Å
460V62.3Low59.6Low117 Ų117137.6 Ų137.671%0.70975%0.75SS**  trans-75.692.4180-177.30000109.3P458 R462P458-V460 PolarHBondContact O-N 2.85Å; P458-V460 VanDerWaalsContact O-N 3.11Å; V460-R462 VanDerWaalsContact C-N 3.28Å; V460-R462 HydrophobicContact CG1-CG 4.33Å; V460-R462 PolarHBondContact O-N 3.42Å
461Q67.9Low60.3Low147 Ų147138.1 Ų138.169%0.68774%0.74SS**  trans-64.883.4173.5-170.77717.500110.5V459 H463V459-Q461 PolarHBondContact O-N 3.21Å; Q461-H463 PolarHBondContact O-N 2.97Å; Q461-H463 PolarHBondContact O-ND1 3.35Å
462R65.2Low61.3Low227 Ų227141.1 Ų141.186%0.85774%0.735SS**  trans-62.9107.9174.7-74.8-171.6163.6-142.3-6.2109.7V460V460-R462 VanDerWaalsContact C-N 3.28Å; V460-R462 HydrophobicContact CG1-CG 4.33Å; V460-R462 PolarHBondContact O-N 3.42Å
463H65.9Low62.5Low141 Ų141143.1 Ų143.165%0.65373%0.731SS**  trans-79.3129.5168-85.771.5000109.9Q461Q461-H463 PolarHBondContact O-N 2.97Å; Q461-H463 PolarHBondContact O-ND1 3.35Å
464E66.8Low63.1Low161 Ų161144.8 Ų144.875%0.75273%0.727SS**  trans-100.699.1-176.6-168.5173-149.100110.4H466E464-H466 VanDerWaalsContact CD-CE1 3.43Å; E464-H466 PolarHBondContact O-N 3.14Å; E464-H466 IonicContact OE1-CE1 2.69Å; E464-H466 IonicContact OE2-CE1 3.87Å; E464-H466 PolarHBondContact OE2-CE1 3.12Å
465H67.4Low63.8Low143 Ų143149.1 Ų149.166%0.66273%0.729SS**  trans-84.392.3-177.3-67.8-82.3000111.1H467H465-H467 PolarHBondContact O-CD2 3.48Å; H465-H467 PolarHBondContact O-N 3.21Å
466H67.5Low64.4Low146 Ų146149.1 Ų149.168%0.67673%0.725SS**  trans-72.6105.3173.5-77.579.1000111E464E464-H466 VanDerWaalsContact CD-CE1 3.43Å; E464-H466 PolarHBondContact O-N 3.14Å; E464-H466 IonicContact OE1-CE1 2.69Å; E464-H466 IonicContact OE2-CE1 3.87Å; E464-H466 PolarHBondContact OE2-CE1 3.12Å
467H69.6Low64.2Low155 Ų155152.9 Ų152.972%0.71873%0.726SS**  trans-87.2110171.5-66.5-80.7000110.3H465H465-H467 PolarHBondContact O-CD2 3.48Å; H465-H467 PolarHBondContact O-N 3.21Å
468H65.9Low64.3Low187 Ų187155.1 Ų155.187%0.86673%0.729SS**  trans-71.5143.6164.4-102.751.3000110.3
469H71Confident64.1Low149 Ų149158.4 Ų158.469%0.6974%0.735SS**  trans-127119.8170.9-72.94.8000107.9
470E67.3Low63.4Low159 Ų159162.4 Ų162.474%0.74374%0.737SS**  trans-99.2124.7178.1-167.2177158.400109.6H472E470-H472 VanDerWaalsContact CD-CE1 3.48Å; E470-H472 IonicContact OE1-CE1 3.32Å; E470-H472 PolarHBondContact OE1-CE1 2.81Å; E470-H472 IonicContact OE1-ND1 3.47Å; E470-H472 PolarHBondContact OE1-ND1 3.09Å
471H65.8Low62.7Low146 Ų146165.1 Ų165.168%0.67674%0.742SS**  trans-101.794.7-179.8-69.3-64.9000110.2H473H471-H473 PolarHBondContact O-N 3.29Å
472H65.3Low61.7Low136 Ų136167.3 Ų167.363%0.6375%0.752SS**  trans-70.4111.9172.5-58.6-40.5000110.6E470E470-H472 VanDerWaalsContact CD-CE1 3.48Å; E470-H472 IonicContact OE1-CE1 3.32Å; E470-H472 PolarHBondContact OE1-CE1 2.81Å; E470-H472 IonicContact OE1-ND1 3.47Å; E470-H472 PolarHBondContact OE1-ND1 3.09Å
473H66.9Low60.8Low155 Ų155166.1 Ų166.172%0.71877%0.77SS**  trans-85.1110.1173.3-68.8-73.5000110.8H471 H475H471-H473 PolarHBondContact O-N 3.29Å; H473-H475 PolarHBondContact O-N 2.75Å
474H62.5Low60.5Low162 Ų162167.4 Ų167.475%0.7578%0.776SS**  trans-78.3108.3171.8-70.5-55.2000111H476H474-H476 PolarHBondContact O-N 2.9Å
475H58.5Low60.2Low159 Ų159167.7 Ų167.774%0.73678%0.777SS**  trans-77.7105.3172.4-68-76.6000110.9H473 Y477H473-H475 PolarHBondContact O-N 2.75Å; H475-Y477 PolarHBondContact O-N 2.87Å
476H60.6Low59.8Low160 Ų160169.1 Ų169.174%0.74178%0.784SS**  trans-76.1105.8169.8-74.5-76.6000110.8H474 H478H474-H476 PolarHBondContact O-N 2.9Å; H476-H478 PolarHBondContact O-N 2.82Å
477Y54.7Low59.4Low213 Ų213170.5 Ų170.584%0.83579%0.79SS**  trans-74114165.9-86.2-94.3000109.8H475 H479H475-Y477 PolarHBondContact O-N 2.87Å; Y477-H479 PolarHBondContact O-N 3.46Å
478H59.1Low58.7Low161 Ų161171.4 Ų171.475%0.74580%0.795SS**  trans-79.9103169.7-76-88.4000110.1H476 Y480H476-H478 PolarHBondContact O-N 2.82Å; H478-Y480 PolarHBondContact O-N 3.43Å
479H52.8Low58.2Low170 Ų170170.4 Ų170.479%0.78779%0.79SS**  trans-70114161.9-84.1-58.6000109.4Y477Y477-H479 PolarHBondContact O-N 3.46Å
480Y48.2Very low57.3Low217 Ų217171.9 Ų171.985%0.85180%0.797SS**  trans-74.5120.4161.3-78.2-96.3000108.7H478H478-Y480 PolarHBondContact O-N 3.43Å
481H47Very low56.6Low174 Ų174172.9 Ų172.981%0.80680%0.801SS**  trans-90.4127.2157.8-71-36000108
482Q47.3Very low55.8Low192 Ų192175.2 Ų175.290%0.89781%0.812SS**  trans-104.7115.1176.2-175.116619.600108.8
483T46.9Very low54.9Low203 Ų203178.7 Ų178.7100%1.24583%0.828SS**  trans-146.20173.155.60000107.9

Retrieved 483 of 483 residues in 190.3 ms (Link to these results)