A0A096N2H6_PAPAN Loading...

Polypeptide N-acetylgalactosaminyltransferase

Glycopeptide transferase involved in O-linked oligosaccharide biosynthesis, which catalyzes the transfer of an N-acetyl-D-galactosamine residue to an already glycosylated peptide. In contrast to other proteins of the family, it does not act as a peptide transferase that transfers GalNAc onto serine or threonine residue on the protein receptor, but instead requires the prior addition of a GalNAc on a peptide before adding additional GalNAc moieties. Some peptide transferase activity is however not excluded, considering that its appropriate peptide substrate may remain unidentified.

AlphaFold DB (A0A0D9S251), UniProt , Accession A0A096N2H6, Species PAPAN (Papio anubis, Olive baboon), Gene GALNT7, Length 657 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
1M46Very low66.3Low239 Ų239140.8 Ų140.8100%1.17767%0.673SS**  0109.60-78.6161.484.200108.8L3M1-L3 PolarHBondContact O-N 3.07Å
2R50.5Low67.5Low250 Ų250138.9 Ų138.994%0.94367%0.669SS**  trans-83108.3175.3-76.1-177.8175.7177.8-1.3108.3K4R2-K4 PolarHBondContact O-N 3.35Å
3L51.3Low68.6Low124 Ų124137.4 Ų137.465%0.64967%0.665SS**  trans-63.2120.7173.2-123.784.1000108.4M1 I5 I8M1-L3 PolarHBondContact O-N 3.07Å; L3-I5 PolarHBondContact O-N 2.95Å; L3-I8 HydrophobicContact CD2-CD1 4.18Å; L3-I8 HydrophobicContact CD2-CG1 4.15Å
4K66.6Low69.4Low178 Ų178134.9 Ų134.977%0.77466%0.662SS**  trans-66.5121.8178.1-72-175.9176.2-179.80108.6R2 G6 F7R2-K4 PolarHBondContact O-N 3.35Å; K4-G6 PolarHBondContact O-N 3.05Å; K4-F7 WeakPolarHBondContact O-CB 3.16Å; K4-F7 PolarHBondContact O-N 3.03Å
5I69.7Low70.4Confident132 Ų132131.5 Ų131.568%0.67765%0.652SS**Hα-helixtrans-47.6-32.4178.8-70.6163.9000112.4L3 F7 I8 L9L3-I5 PolarHBondContact O-N 2.95Å; I5-F7 VanDerWaalsContact C-N 3.27Å; I5-F7 PolarHBondContact O-N 3.02Å; I5-I8 PolarHBondContact O-N 2.72Å; I5-L9 HydrophobicContact CG2-CD1 3.72Å; I5-L9 PolarHBondContact O-N 3.16Å; I5-L9 VanDerWaalsContact O-N 3.14Å
6G71.5Confident71.3Confident44 Ų44125.9 Ų125.945%0.45464%0.638SS.*Hα-helixtrans-62.7-25.1175.700000115.4K4 R10K4-G6 PolarHBondContact O-N 3.05Å; G6-R10 WeakPolarHBondContact O-CG 3.47Å; G6-R10 PolarHBondContact O-N 3.25Å
7F75.4Confident71.8Confident143 Ų143122.5 Ų122.563%0.62763%0.628SS**Hα-helixtrans-75.1-39.7176.4-156.8-92.3000111.2K4 I5 R10 S11K4-F7 WeakPolarHBondContact O-CB 3.16Å; K4-F7 PolarHBondContact O-N 3.03Å; I5-F7 VanDerWaalsContact C-N 3.27Å; I5-F7 PolarHBondContact O-N 3.02Å; F7-R10 PolarHBondContact O-N 3.42Å; F7-S11 PolarHBondContact O-N 3.01Å; F7-S11 PolarHBondContact O-OG 3.31Å; F7-S11 VanDerWaalsContact O-OG 3.13Å
8I75.2Confident72.4Confident83 Ų83123.7 Ų123.743%0.42663%0.629SS.*Hα-helixtrans-65.9-43.1176.9-62.2174.2000110.3L3 I5 R10 S11 L12L3-I8 HydrophobicContact CD2-CD1 4.18Å; L3-I8 HydrophobicContact CD2-CG1 4.15Å; I5-I8 PolarHBondContact O-N 2.72Å; I8-R10 PolarHBondContact O-N 3.45Å; I8-S11 PolarHBondContact O-N 3.02Å; I8-L12 HydrophobicContact CG2-CD1 3.91Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CB 3.42Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.43Å
9L71.8Confident72.8Confident105 Ų105122.5 Ų122.555%0.5562%0.624SS.*Hα-helixtrans-63.2-39.5177.2-101.3121.1000112.9I5 L13I5-L9 HydrophobicContact CG2-CD1 3.72Å; I5-L9 PolarHBondContact O-N 3.16Å; I5-L9 VanDerWaalsContact O-N 3.14Å; L9-L13 PolarHBondContact O-N 2.98Å; L9-L13 VanDerWaalsContact O-N 3.08Å
10R75.7Confident73.3Confident195 Ų195118.4 Ų118.474%0.73661%0.613SS**Hα-helixtrans-69-40.9176.7-74.8-179.8-178.5-157.70.1112G6 F7 I8 L13 V14G6-R10 WeakPolarHBondContact O-CG 3.47Å; G6-R10 PolarHBondContact O-N 3.25Å; F7-R10 PolarHBondContact O-N 3.42Å; I8-R10 PolarHBondContact O-N 3.45Å; R10-L13 PolarHBondContact O-N 3.47Å; R10-V14 WeakPolarHBondContact O-CG2 3.34Å; R10-V14 PolarHBondContact O-N 2.92Å; R10-V14 VanDerWaalsContact O-N 3.07Å
11S75.8Confident73.4Confident56 Ų56118.4 Ų118.439%0.39261%0.613SS.*Hα-helixtrans-64.2-40.3176-63.80000112.2F7 I8 V14 V15F7-S11 PolarHBondContact O-N 3.01Å; F7-S11 PolarHBondContact O-OG 3.31Å; F7-S11 VanDerWaalsContact O-OG 3.13Å; I8-S11 PolarHBondContact O-N 3.02Å; S11-V14 PolarHBondContact O-N 3.45Å; S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.23Å; S11-V15 PolarHBondContact O-N 3.09Å
12L80.7Confident74.8Confident118 Ų118110.3 Ų110.362%0.61858%0.577SS**Hα-helixtrans-65.4-37.5175.8-75.7168.4000112.3I8 V15 G16I8-L12 HydrophobicContact CG2-CD1 3.91Å; I8-L12 HydrophobicContact CG2-CG 4.48Å; I8-L12 WeakPolarHBondContact O-CB 3.42Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.43Å; L12-V15 PolarHBondContact O-N 3.36Å; L12-G16 PolarHBondContact O-N 2.91Å
13L81.5Confident75.9Confident119 Ų119102.9 Ų102.962%0.62356%0.559SS**Hα-helixtrans-65.1-40.2175.5-115.5153000112.6L9 R10 S17L9-L13 PolarHBondContact O-N 2.98Å; L9-L13 VanDerWaalsContact O-N 3.08Å; R10-L13 PolarHBondContact O-N 3.47Å; L13-S17 WeakPolarHBondContact O-CB 3.41Å; L13-S17 PolarHBondContact O-N 3.29Å; L13-S17 PolarHBondContact O-OG 3.05Å
14V79.8Confident76.7Confident102 Ų102102.1 Ų102.162%0.61856%0.555SS**Hα-helixtrans-68.7-44.2177.5173.60000110.7R10 S11 S17 F18R10-V14 WeakPolarHBondContact O-CG2 3.34Å; R10-V14 PolarHBondContact O-N 2.92Å; R10-V14 VanDerWaalsContact O-N 3.07Å; S11-V14 PolarHBondContact O-N 3.45Å; V14-S17 PolarHBondContact O-N 3Å; V14-F18 WeakPolarHBondContact O-CB 3.46Å; V14-F18 PolarHBondContact O-N 3.45Å
15V84.3Confident76.3Confident84 Ų84103.5 Ų103.551%0.50956%0.556SS.*Hα-helixtrans-64.8-42.2177.6172.90000111.2S11 L12 F18 L19S11-V15 VanDerWaalsContact O-CG2 3.31Å; S11-V15 WeakPolarHBondContact O-CG2 3.23Å; S11-V15 PolarHBondContact O-N 3.09Å; L12-V15 PolarHBondContact O-N 3.36Å; V15-F18 PolarHBondContact O-N 3.49Å; V15-L19 HydrophobicContact CG1-CD1 3.86Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.75Å
16G84.6Confident76.1Confident43 Ų43101 Ų10144%0.44355%0.55SS..Hα-helixtrans-63.6-40.4175.700000113.1L12 G20L12-G16 PolarHBondContact O-N 2.91Å; G16-G20 PolarHBondContact O-N 3.06Å
17S80.3Confident75.6Confident67 Ų67103 Ų10347%0.46956%0.557SS.*Hα-helixtrans-66.7-39.9176.2-55.40000111.9L13 V14 G20 L21L13-S17 WeakPolarHBondContact O-CB 3.41Å; L13-S17 PolarHBondContact O-N 3.29Å; L13-S17 PolarHBondContact O-OG 3.05Å; V14-S17 PolarHBondContact O-N 3Å; S17-G20 PolarHBondContact O-N 3.35Å; S17-L21 PolarHBondContact O-N 3.43Å
18F82.3Confident74.6Confident144 Ų144102.3 Ų102.363%0.63256%0.559SS**Hα-helixtrans-66.5-44.6177.5-170.8-98.1000111.6V14 V15 G20 L21 V22V14-F18 WeakPolarHBondContact O-CB 3.46Å; V14-F18 PolarHBondContact O-N 3.45Å; V15-F18 PolarHBondContact O-N 3.49Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-G20 PolarHBondContact O-N 3.44Å; F18-L21 PolarHBondContact O-N 2.98Å; F18-V22 HydrophobicContact CD1-CG2 4.24Å; F18-V22 HydrophobicContact CE1-CG2 3.99Å; F18-V22 HydrophobicContact CZ-CG2 4.41Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 2.93Å
19L81Confident73.6Confident102 Ų102102.5 Ų102.553%0.53456%0.564SS.*Hα-helixtrans-63.7-39175.1-76.4165.8000112V15 L21 V22 V23V15-L19 HydrophobicContact CG1-CD1 3.86Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.75Å; L19-L21 PolarHBondContact O-N 2.9Å; L19-V22 PolarHBondContact O-N 3.36Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 2.94Å
20G82.4Confident72.3Confident39 Ų39103.3 Ų103.340%0.40258%0.576SS.*Hα-helixtrans-60.1-43.3174.100000112.7G16 S17 F18 V23 L24G16-G20 PolarHBondContact O-N 3.06Å; S17-G20 PolarHBondContact O-N 3.35Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-G20 PolarHBondContact O-N 3.44Å; G20-V23 PolarHBondContact O-N 3.19Å; G20-L24 WeakPolarHBondContact O-CB 3.47Å; G20-L24 PolarHBondContact O-N 3.36Å
21L74.4Confident71.1Confident119 Ų119104.1 Ų104.162%0.62358%0.579SS**Hα-helixtrans-66.4-38175.7-81160.8000112.6S17 F18 L19 L24 W25S17-L21 PolarHBondContact O-N 3.43Å; F18-L21 PolarHBondContact O-N 2.98Å; L19-L21 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-W25 VanDerWaalsContact O-CB 3.3Å; L21-W25 WeakPolarHBondContact O-CB 3.46Å; L21-W25 PolarHBondContact O-N 2.99Å
22V76Confident69.4Low70 Ų70107.6 Ų107.642%0.42460%0.6SS.*Hα-helixtrans-67.1-38.1176.4172.50000111.6F18 L19 W25 S26F18-V22 HydrophobicContact CD1-CG2 4.24Å; F18-V22 HydrophobicContact CE1-CG2 3.99Å; F18-V22 HydrophobicContact CZ-CG2 4.41Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 2.93Å; L19-V22 PolarHBondContact O-N 3.36Å; V22-W25 PolarHBondContact O-N 3Å; V22-S26 WeakPolarHBondContact O-CB 3.41Å; V22-S26 PolarHBondContact O-N 3.11Å; V22-S26 PolarHBondContact O-OG 2.79Å
23V74.6Confident67.7Low94 Ų94109 Ų10957%0.5761%0.609SS**Hα-helixtrans-69.1-39.2174.4174.50000111.4L19 G20 W25 S26 S27L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 2.94Å; G20-V23 PolarHBondContact O-N 3.19Å; V23-W25 VanDerWaalsContact C-N 3.34Å; V23-W25 PolarHBondContact O-N 2.78Å; V23-S26 WeakPolarHBondContact CA-OG 3.28Å; V23-S26 PolarHBondContact O-OG 3.5Å; V23-S26 VanDerWaalsContact O-OG 3.11Å; V23-S27 WeakPolarHBondContact O-CB 3.44Å; V23-S27 PolarHBondContact O-N 2.88Å; V23-S27 VanDerWaalsContact O-N 3.11Å; V23-S27 PolarHBondContact O-OG 3.37Å
24L67.1Low65.6Low107 Ų107110.2 Ų110.256%0.5662%0.615SS**Hα-helixtrans-64.5-39.6174.2-130.695.2000111.6G20 L21 S27 L28G20-L24 WeakPolarHBondContact O-CB 3.47Å; G20-L24 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 3.42Å; L24-S27 WeakPolarHBondContact CA-OG 3.3Å; L24-S27 PolarHBondContact O-N 3.44Å; L24-S27 PolarHBondContact O-OG 3.11Å; L24-L28 HydrophobicContact CD2-CD1 4.18Å; L24-L28 HydrophobicContact CG-CD1 4.44Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CD1 3.35Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.94Å
25W58.8Low63.7Low207 Ų207110.5 Ų110.578%0.78462%0.62SS**Hα-helixtrans-75.2-32.1-177.2-153.933.8000112.8L21 V22 V23 T29L21-W25 VanDerWaalsContact O-CB 3.3Å; L21-W25 WeakPolarHBondContact O-CB 3.46Å; L21-W25 PolarHBondContact O-N 2.99Å; V22-W25 PolarHBondContact O-N 3Å; V23-W25 VanDerWaalsContact C-N 3.34Å; V23-W25 PolarHBondContact O-N 2.78Å; W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.98Å
26S65.3Low61.4Low79 Ų79110.1 Ų110.155%0.55262%0.621SS**Hα-helixtrans-76.3-19.9173.152.20000114V22 V23 T29V22-S26 WeakPolarHBondContact O-CB 3.41Å; V22-S26 PolarHBondContact O-N 3.11Å; V22-S26 PolarHBondContact O-OG 2.79Å; V23-S26 WeakPolarHBondContact CA-OG 3.28Å; V23-S26 PolarHBondContact O-OG 3.5Å; V23-S26 VanDerWaalsContact O-OG 3.11Å; S26-T29 WeakPolarHBondContact CA-OG1 3.47Å; S26-T29 PolarHBondContact O-OG1 2.98Å
27S61.4Low58.9Low87 Ų87114 Ų11461%0.60864%0.638SS**Hα-helixtrans-89.1-15.2173.249.30000113.7V23 L24V23-S27 WeakPolarHBondContact O-CB 3.44Å; V23-S27 PolarHBondContact O-N 2.88Å; V23-S27 VanDerWaalsContact O-N 3.11Å; V23-S27 PolarHBondContact O-OG 3.37Å; L24-S27 WeakPolarHBondContact CA-OG 3.3Å; L24-S27 PolarHBondContact O-N 3.44Å; L24-S27 PolarHBondContact O-OG 3.11Å
28L54.3Low56.8Low128 Ų128118.6 Ų118.667%0.6766%0.657SS**SBendtrans-105.52.5179.3-67.9169.7000113.7L24L24-L28 HydrophobicContact CD2-CD1 4.18Å; L24-L28 HydrophobicContact CG-CD1 4.44Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CD1 3.35Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.94Å
29T52.8Low54.5Low87 Ų87116.1 Ų116.153%0.53466%0.657SS.*SBendtrans-86.1124.2175.26.30000110.3W25 S26W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.98Å; S26-T29 WeakPolarHBondContact CA-OG1 3.47Å; S26-T29 PolarHBondContact O-OG1 2.98Å
30P45.4Very low52.1Low123 Ų123122.4 Ų122.480%0.79967%0.673SS**PPolyproline II helixtrans-68137.7-179.6-13.827.5000111.3
31R51.5Low49.6Very low212 Ų212129.4 Ų129.480%0.870%0.698SS**PPolyproline II helixtrans-76.4153169.2-71.6-178.9180175.30.4110D33R31-D33 PolarHBondContact O-N 3.13Å
32P39.8Very low47.5Very low128 Ų128135.3 Ų135.383%0.83171%0.712SS**THydrogen-bonded Turntrans-66.8-10.2-166.8-18.531.9000115.7
33D43.9Very low45.3Very low149 Ų149141.1 Ų141.180%0.79774%0.735SS**THydrogen-bonded Turntrans-125.222.9-167.5-65.5-44000114.8R31R31-D33 PolarHBondContact O-N 3.13Å
34D38.3Very low43.1Very low143 Ų143144.3 Ų144.377%0.76575%0.748SS**PPolyproline II helixtrans-101.8125171.9-102.5-30.1000112.5
35P38.4Very low41.3Very low109 Ų109150.1 Ų150.171%0.70876%0.763SS**PPolyproline II helixtrans-73.7142.1-177.327.5-32000113
36S36.5Very low39.8Very low76 Ų76148.3 Ų148.353%0.53177%0.769SS.*PPolyproline II helixtrans-70.2151.6-171.682.90000114.1L38 S39S36-L38 PolarHBondContact O-N 3.44Å; S36-S39 PolarHBondContact O-OG 3.12Å; S36-S39 VanDerWaalsContact O-OG 3.05Å
37P33.3Very low38.2Very low125 Ų125150.4 Ų150.481%0.81278%0.778SS**G310 helixtrans-75.77.4-171.5-9.727000115.1
38L34.9Very low36.8Very low163 Ų163153.7 Ų153.785%0.85379%0.789SS**G310 helixtrans-923.8178.9-90.3136.1000113.5S36S36-L38 PolarHBondContact O-N 3.44Å
39S33.9Very low35.6Very low91 Ų91154.6 Ų154.664%0.63679%0.794SS**G310 helixtrans-92.6-2.3177.554.40000114.3S36S36-S39 PolarHBondContact O-OG 3.12Å; S36-S39 VanDerWaalsContact O-OG 3.05Å
40R30.3Very low35.1Very low234 Ų234155.8 Ų155.888%0.88380%0.804SS**SBendtrans-104.316.8-174.3-110-176.7-175.6179.52.5116.4
41M31.5Very low34.3Very low187 Ų187157.2 Ų157.292%0.92180%0.801SS**SBendtrans-126.551.9171.5-92.7-172.2145.800111
42R30.1Very low34Very low242 Ų242152.6 Ų152.691%0.91380%0.799SS**SBendtrans-161.338.2165.5-129.6178.1-174.7-175.50.8114.5
43E29.6Very low33.4Very low192 Ų192153 Ų15390%0.89779%0.794SS**  trans-138.984.3164.6-85.3-175.616200107.6
44D28.4Very low32.7Very low161 Ų161157.8 Ų157.886%0.86180%0.801SS**  trans-151.4127.8148.9-126.6-15.8000107.9
45R28.5Very low32.2Very low229 Ų229154.8 Ų154.886%0.86480%0.804SS**  trans89.482.9-176.9-51.5176.8-170.4-167.51.5115.6
46D28.7Very low31.6Very low170 Ų170153.1 Ų153.191%0.90981%0.806SS**  -149.9129.8116.6-93-31.6000110.3
47V31.7Very low31.3Very low123 Ų123157.8 Ų157.875%0.74583%0.825SS**  trans-121.8116176.4168.30000107
48N30.8Very low31.1Very low155 Ų155155.3 Ų155.383%0.82982%0.822SS**  trans127.3104.1149.2-69.1-28.2000116.4
49D28.9Very low30.9Very low148 Ų148155.8 Ų155.879%0.79183%0.825SS**  trans-45.9173.4149.2-127.21.9000113.3
50P42.5Very low30.6Very low112 Ų112155.9 Ų155.973%0.72783%0.831SS**  cis-139.3163.17.132.5-8.9000118.7
51M29.5Very low31Very low152 Ų152151 Ų15175%0.74983%0.83SS**  trans-42.7161.4155.9-105.8-159.1173.600115
52P43.7Very low30.8Very low116 Ų116145.5 Ų145.575%0.75382%0.821SS**  -155.7150.472.339.5-17.2000120.6
53N27.5Very low30.9Very low136 Ų136142.1 Ų142.173%0.72782%0.815SS**  trans40.5131.5135-82.5-21.8000124.4
54R29.4Very low30.8Very low250 Ų250141.5 Ų141.594%0.94382%0.818SS**  trans144.3132.8131.5-84.1174.4174.9-175.1-0.4107.7
55G27.6Very low31Very low80 Ų80144 Ų14483%0.82582%0.816SS**  cis151.8142.89.200000107.2
56G27.4Very low31.1Very low74 Ų74142.5 Ų142.576%0.76382%0.816SS**  trans108.7102.9154.400000119.9
57N29.8Very low31.2Very low174 Ų174143.3 Ų143.393%0.9381%0.811SS**  trans42.8128.2135-61.5-9.7000123
58G29Very low31.3Very low72 Ų72142.8 Ų142.874%0.74281%0.81SS**  trans152.492144.700000118.7
59L29.4Very low31.3Very low174 Ų174141.6 Ų141.691%0.91181%0.808SS**  trans31.1107.5141.3-66.9156.5000122.3
60A29.5Very low31.6Very low92 Ų92140.6 Ų140.676%0.7681%0.808SS**  trans55.1168.3132.800000122.4
61P38.3Very low31.1Very low132 Ų132141 Ų14186%0.85781%0.81SS**  -123.5148.7-7735.9-20.3000112.8
62G27.5Very low31Very low72 Ų72145.1 Ų145.174%0.74282%0.817SS**  trans163.9126.616700000116.5
63E30.6Very low30.4Very low170 Ų170144.9 Ų144.979%0.79482%0.816SS**  trans58.987.2152.1-60.2-172.6165.800119.1R65E63-R65 PolarHBondContact O-N 3.24Å; E63-R65 VanDerWaalsContact O-N 3.07Å
64D29Very low30.4Very low179 Ų179147.6 Ų147.696%0.95782%0.824SS**  trans-76.892.3160.9-87-30000111
65R31.8Very low30.5Very low214 Ų214142.1 Ų142.181%0.80882%0.818SS**  trans-75.6118.3156.3-80.6-178.8175.4-177.8-0.8109.5E63 K67E63-R65 PolarHBondContact O-N 3.24Å; E63-R65 VanDerWaalsContact O-N 3.07Å; R65-K67 PolarHBondContact O-N 2.71Å
66F30.6Very low31Very low197 Ų197147.6 Ų147.686%0.86482%0.822SS**  trans-58.4121.5167.8-160.6-98.3000110.6
67K31.3Very low31.2Very low187 Ų187147.2 Ų147.281%0.81382%0.818SS**  trans-107.4120.5167.6-83-174.5178.3178.30109.4R65R65-K67 PolarHBondContact O-N 2.71Å
68P33.8Very low31.6Very low112 Ų112145.3 Ų145.373%0.72781%0.813SS**  trans-77.1146.1170.529.1-30.5000112
69V30.8Very low31.9Very low130 Ų130151.2 Ų151.279%0.78882%0.821SS**  trans-86.9142.5177.21800000109.1
70V35Very low32.7Very low128 Ų128147.4 Ų147.478%0.77681%0.805SS**SBendtrans76.8142.4172.9-81.80000121.1
71P31.5Very low33.6Very low120 Ų120147.6 Ų147.678%0.77979%0.793SS**PPolyproline II helixtrans-99.1143.8-153.937.9-31.8000114.2
72W28.8Very low33.9Very low239 Ų239146.9 Ų146.991%0.90578%0.781SS**PPolyproline II helixtrans-85.6144.9167-70.990000110.7
73P29.3Very low35Very low110 Ų110149 Ų14971%0.71477%0.772SS**PPolyproline II helixtrans-65.9140.2-176.825.2-31.9000112.5V75P73-V75 PolarHBondContact O-N 2.97Å
74H28.2Very low36Very low193 Ų193143.6 Ų143.689%0.89475%0.753SS**PPolyproline II helixtrans-55.4127.6172.6-102.928.1000111.6
75V32.3Very low37Very low135 Ų135138.4 Ų138.482%0.81872%0.724SS**  trans-118.2120.1158-178.20000106P73 G77P73-V75 PolarHBondContact O-N 2.97Å; V75-G77 PolarHBondContact O-N 2.73Å
76E36.7Very low38Very low195 Ų195136.4 Ų136.491%0.91172%0.717SS**  trans-60.5107.2174.8-71178.8157.500109.4
77G31.3Very low39.2Very low67 Ų67136.3 Ų136.369%0.69171%0.71SS**  trans-109.5123.5173.800000109.7V75 E79V75-G77 PolarHBondContact O-N 2.73Å; G77-E79 PolarHBondContact O-N 3.11Å
78V39.2Very low40.3Very low134 Ų134135.2 Ų135.281%0.81271%0.706SS**  trans-54.4124.7168176.30000109V80V78-V80 PolarHBondContact O-N 2.89Å; V78-V80 VanDerWaalsContact O-N 3.09Å
79E34.5Very low41.1Very low195 Ų195134 Ų13491%0.91169%0.693SS**  trans-59.7112.5172-94.1-177.1153.100109.6G77G77-E79 PolarHBondContact O-N 3.11Å
80V46.7Very low42.1Very low95 Ų95134.3 Ų134.358%0.57668%0.684SS**  trans-93.2113.7170.6-177.40000107.4V78 L82 I85V78-V80 PolarHBondContact O-N 2.89Å; V78-V80 VanDerWaalsContact O-N 3.09Å; V80-L82 PolarHBondContact O-N 2.93Å; V80-I85 HydrophobicContact CG1-CD1 3.48Å; V80-I85 VanDerWaalsContact CG1-CD1 3.48Å
81D49.5Very low42.7Very low95 Ų95130.6 Ų130.651%0.50867%0.667SS.*  trans-66.593.4173.8177.41.7000110.3E83 S84 I85D81-E83 PolarHBondContact O-N 3.25Å; D81-E83 WeakPolarHBondContact OD1-CA 3.36Å; D81-E83 WeakPolarHBondContact OD1-CB 3.32Å; D81-E83 PolarHBondContact OD1-N 3.25Å; D81-S84 PolarHBondContact O-N 3.23Å; D81-S84 PolarHBondContact O-OG 3.38Å; D81-S84 PolarHBondContact OD1-N 3.29Å; D81-S84 VanDerWaalsContact OD1-N 3.16Å; D81-S84 WeakPolarHBondContact OD2-CB 3.38Å; D81-I85 PolarHBondContact O-N 3.26Å
82L43.6Very low43.4Very low117 Ų117130.7 Ų130.761%0.61366%0.655SS**Hα-helixtrans-63.8-22178.5-66.8169.2000112.7V80 R86V80-L82 PolarHBondContact O-N 2.93Å; L82-R86 WeakPolarHBondContact O-CB 3.35Å; L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-N 3.31Å
83E50.4Low44.1Very low117 Ų117123.8 Ų123.855%0.54764%0.636SS.*Hα-helixtrans-72-38.8177.3-133.782.2-139.200110.5D81 R86 R87D81-E83 PolarHBondContact O-N 3.25Å; D81-E83 WeakPolarHBondContact OD1-CA 3.36Å; D81-E83 WeakPolarHBondContact OD1-CB 3.32Å; D81-E83 PolarHBondContact OD1-N 3.25Å; E83-R86 PolarHBondContact O-N 3.39Å; E83-R87 WeakPolarHBondContact O-CG 3.35Å; E83-R87 PolarHBondContact O-N 2.85Å
84S50.9Low44.6Very low56 Ų56124.1 Ų124.139%0.39263%0.628SS.*Hα-helixtrans-66.2-36.5175.478.60000112.7D81 K88D81-S84 PolarHBondContact O-N 3.23Å; D81-S84 PolarHBondContact O-OG 3.38Å; D81-S84 PolarHBondContact OD1-N 3.29Å; D81-S84 VanDerWaalsContact OD1-N 3.16Å; D81-S84 WeakPolarHBondContact OD2-CB 3.38Å; S84-K88 PolarHBondContact O-N 3.27Å
85I51.2Low45.2Very low70 Ų70122.5 Ų122.536%0.35962%0.62SS.*Hα-helixtrans-71.8-40.9176.7-64175.6000110.4V80 D81 R87 K88 N89V80-I85 HydrophobicContact CG1-CD1 3.48Å; V80-I85 VanDerWaalsContact CG1-CD1 3.48Å; D81-I85 PolarHBondContact O-N 3.26Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.25Å; I85-K88 PolarHBondContact O-N 2.88Å; I85-N89 WeakPolarHBondContact O-CB 3.43Å; I85-N89 PolarHBondContact O-N 3.34Å
86R51.6Low45.7Very low173 Ų173122.1 Ų122.165%0.65361%0.61SS**Hα-helixtrans-62.3-39.9174.2-82.3178.3175.4166.4-0112.3L82 E83 N89 K90L82-R86 WeakPolarHBondContact O-CB 3.35Å; L82-R86 WeakPolarHBondContact O-CG 3.49Å; L82-R86 PolarHBondContact O-N 3.31Å; E83-R86 PolarHBondContact O-N 3.39Å; R86-N89 PolarHBondContact O-N 3.39Å; R86-K90 WeakPolarHBondContact O-CB 3.02Å; R86-K90 PolarHBondContact O-N 3.18Å
87R56Low45.9Very low194 Ų194120.6 Ų120.673%0.73260%0.602SS**Hα-helixtrans-68.2-39.3175.3-73.4-178.6-178.5-173.41.8112.4E83 I85 K90 A91E83-R87 WeakPolarHBondContact O-CG 3.35Å; E83-R87 PolarHBondContact O-N 2.85Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.25Å; R87-K90 PolarHBondContact O-N 2.63Å; R87-A91 WeakPolarHBondContact O-CB 3.49Å; R87-A91 PolarHBondContact O-N 3.21Å
88K55.3Low46.2Very low164 Ų164126.1 Ų126.171%0.71361%0.61SS**Hα-helixtrans-62.2-42.8172.6-99.7-178.8174.8175.90112.4S84 I85 K92S84-K88 PolarHBondContact O-N 3.27Å; I85-K88 PolarHBondContact O-N 2.88Å; K88-K92 WeakPolarHBondContact O-CB 3.46Å; K88-K92 PolarHBondContact O-N 3.29Å
89N50.3Low46.1Very low88 Ų88123.8 Ų123.847%0.47161%0.605SS.*Hα-helixtrans-72.5-32.7179.3-70.6-15.8000112.4I85 R86 K92 N93I85-N89 WeakPolarHBondContact O-CB 3.43Å; I85-N89 PolarHBondContact O-N 3.34Å; R86-N89 PolarHBondContact O-N 3.39Å; N89-K92 PolarHBondContact O-N 3.29Å; N89-N93 WeakPolarHBondContact O-CB 3.34Å; N89-N93 PolarHBondContact O-N 3.03Å
90K51.2Low46.5Very low135 Ų135118.5 Ų118.559%0.58760%0.602SS**Hα-helixtrans-68.6-42.7173.6-165.7176.7179.5-175.80112R86 R87 K92 N93 E94R86-K90 WeakPolarHBondContact O-CB 3.02Å; R86-K90 PolarHBondContact O-N 3.18Å; R87-K90 PolarHBondContact O-N 2.63Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 3.01Å; K90-N93 PolarHBondContact O-N 3.49Å; K90-E94 VanDerWaalsContact CE-OE1 3.23Å; K90-E94 WeakPolarHBondContact CE-OE1 3.44Å; K90-E94 WeakPolarHBondContact O-CB 3.31Å; K90-E94 WeakPolarHBondContact O-CG 3.4Å; K90-E94 PolarHBondContact O-N 2.93Å
91A48.1Very low45.8Very low50 Ų50117 Ų11741%0.41361%0.606SS.*Hα-helixtrans-65.6-32.617400000112.6R87 Q95R87-A91 WeakPolarHBondContact O-CB 3.49Å; R87-A91 PolarHBondContact O-N 3.21Å; A91-Q95 PolarHBondContact O-N 3.41Å
92K45.5Very low45.7Very low123 Ų123121.1 Ų121.154%0.53563%0.628SS.*Hα-helixtrans-70.3-41.6174.8-154.8-178.5-178.6-1670112.1K88 N89 K90 Q95 E96K88-K92 WeakPolarHBondContact O-CB 3.46Å; K88-K92 PolarHBondContact O-N 3.29Å; N89-K92 PolarHBondContact O-N 3.29Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 3.01Å; K92-Q95 PolarHBondContact O-N 3.47Å; K92-E96 PolarHBondContact O-N 2.94Å
93N43.9Very low45.5Very low93 Ų93118.9 Ų118.950%0.49762%0.622SS.*Hα-helixtrans-69.3-32.4174.9-77.84.4000112.8N89 K90 H97N89-N93 WeakPolarHBondContact O-CB 3.34Å; N89-N93 PolarHBondContact O-N 3.03Å; K90-N93 PolarHBondContact O-N 3.49Å; N93-H97 WeakPolarHBondContact O-CB 3.5Å; N93-H97 PolarHBondContact O-CD2 3.26Å; N93-H97 PolarHBondContact O-N 2.88Å; N93-H97 VanDerWaalsContact O-N 3.13Å
94E41.1Very low44.9Very low117 Ų117122.1 Ų122.155%0.54764%0.637SS.*Hα-helixtrans-75.6-25.9175.2-74.3171.7-175.100112.4K90K90-E94 VanDerWaalsContact CE-OE1 3.23Å; K90-E94 WeakPolarHBondContact CE-OE1 3.44Å; K90-E94 WeakPolarHBondContact O-CB 3.31Å; K90-E94 WeakPolarHBondContact O-CG 3.4Å; K90-E94 PolarHBondContact O-N 2.93Å
95Q39.6Very low44.2Very low159 Ų159127.4 Ų127.474%0.74365%0.653SS**Hα-helixtrans-78.6-30.7169.2-83.2-178.4-25.800113.4A91 K92A91-Q95 PolarHBondContact O-N 3.41Å; K92-Q95 PolarHBondContact O-N 3.47Å
96E44Very low43.6Very low128 Ų128131.6 Ų131.660%0.59868%0.676SS**Hα-helixtrans-75-24.2174-76.9174.4-173.300112.6K92K92-E96 PolarHBondContact O-N 2.94Å
97H40.3Very low43.2Very low163 Ų163130.4 Ų130.476%0.75568%0.681SS**THydrogen-bonded Turntrans-83-6.5178.2-94.9-59.5000116N93N93-H97 WeakPolarHBondContact O-CB 3.5Å; N93-H97 PolarHBondContact O-CD2 3.26Å; N93-H97 PolarHBondContact O-N 2.88Å; N93-H97 VanDerWaalsContact O-N 3.13Å
98H37.4Very low42.6Very low183 Ų183128.5 Ų128.585%0.84768%0.682SS**THydrogen-bonded Turntrans-110.99.4176.9-90.7-34.4000115.4
99A36.7Very low42.1Very low85 Ų85129.6 Ų129.670%0.70269%0.69SS**  trans-10448.2168.200000111.4G101A99-G101 PolarHBondContact O-N 3.03Å
100G42.2Very low42.3Very low83 Ų83135.5 Ų135.586%0.85671%0.706SS**  trans-82.886.1167.200000110.2
101G32Very low43.1Very low63 Ų63138.1 Ų138.165%0.64972%0.72SS**  trans-130.3109.9166.800000108.8A99 S103A99-G101 PolarHBondContact O-N 3.03Å; G101-S103 PolarHBondContact O-N 3.35Å
102D48.3Very low44.7Very low183 Ų183141.4 Ų141.498%0.97972%0.722SS**  trans-48.1109.3172.6-95.8-35.5000110.3
103S38.4Very low46.9Very low70 Ų70140.1 Ų140.149%0.4972%0.721SS.*  trans-122.1111.6164.4124.30000107.2G101 K105G101-S103 PolarHBondContact O-N 3.35Å; S103-K105 PolarHBondContact O-N 2.71Å
104Q39.4Very low49.3Very low184 Ų184141.4 Ų141.486%0.8673%0.732SS**THydrogen-bonded Turntrans-56.89.7175.8-122.3170.6-5.600114.4
105K36.1Very low52Low168 Ų168137.5 Ų137.573%0.7371%0.714SS**THydrogen-bonded Turntrans-105.2-19.3-173.9-75.4-175.9174.3-179.70114.9S103 I107 M108S103-K105 PolarHBondContact O-N 2.71Å; K105-I107 PolarHBondContact O-N 3.41Å; K105-M108 PolarHBondContact O-N 2.85Å
106D38.6Very low54.7Low157 Ų157135.1 Ų135.184%0.8470%0.701SS**THydrogen-bonded Turntrans-81.70.2176.1-80.5-27.2000113.9
107I41.7Very low57.3Low148 Ų148133.8 Ų133.876%0.75970%0.704SS**THydrogen-bonded Turntrans-85.5-10.6172.4-61.6174.7000111.3K105 Q109K105-I107 PolarHBondContact O-N 3.41Å; I107-Q109 PolarHBondContact O-N 3.36Å
108M43.5Very low60Low154 Ų154129.4 Ų129.476%0.75968%0.683SS**SBendtrans-100.888.1-178.9-78.1178.456.200112.1K105K105-M108 PolarHBondContact O-N 2.85Å
109Q45.8Very low62.9Low187 Ų187126.9 Ų126.987%0.87468%0.681SS**  trans132.856.5158-74.3-179.8-19.100113.6I107 Q111I107-Q109 PolarHBondContact O-N 3.36Å; Q109-Q111 VanDerWaalsContact C-N 3.31Å; Q109-Q111 PolarHBondContact O-N 3.08Å; Q109-Q111 VanDerWaalsContact O-N 3.12Å
110R54.6Low65.8Low213 Ų213125.2 Ų125.280%0.80466%0.658SS**  trans-69.3101.4143-87.4-175.4178.4-175.8-0.8106.5Y112R110-Y112 WeakPolarHBondContact O-CD2 3.35Å; R110-Y112 PolarHBondContact O-N 3.22Å
111Q68.4Low68.4Low189 Ų189126.8 Ų126.888%0.88365%0.651SS**  trans-69.799.2170.5-174174.3-7.500107.3Q109Q109-Q111 VanDerWaalsContact C-N 3.31Å; Q109-Q111 PolarHBondContact O-N 3.08Å; Q109-Q111 VanDerWaalsContact O-N 3.12Å
112Y80.1Confident71.6Confident119 Ų119124.5 Ų124.547%0.46762%0.623SS.*  trans-59.5146176.3-62.3-76.7000110.8R110 N506R110-Y112 WeakPolarHBondContact O-CD2 3.35Å; R110-Y112 PolarHBondContact O-N 3.22Å; Y112-N506 HydrophobicContact CD1-CB 3.57Å; Y112-N506 HydrophobicContact CE1-CB 3.88Å; Y112-N506 WeakPolarHBondContact CE1-OD1 3.29Å; Y112-N506 HydrophobicContact CG-CB 3.94Å
113L91.6Very high73.9Confident96 Ų96125 Ų12550%0.50361%0.611SS.*  trans-67.3134.5172.8-71176.3000109.2D504L113-D504 HydrophobicContact CD1-CB 3.83Å; L113-D504 HydrophobicContact CG-CB 4.33Å; L113-D504 PolarHBondContact N-O 3.38Å
114T94.6Very high76.7Confident120 Ų120126 Ų12674%0.73661%0.611SS**  trans-125.6142.5177.459.10000109.6
115F97.6Very high79.4Confident35 Ų35118.8 Ų118.815%0.15458%0.58CS.*PPolyproline II helixtrans-62.4152.1170.7-56.1-50.3000111.5F398 E401 L402 C426 H505F115-F398 HydrophobicContact CD1-CD2 4.35Å; F115-F398 HydrophobicContact CD1-CE2 4.24Å; F115-F398 HydrophobicContact CD2-CD2 4.46Å; F115-F398 AromaticContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CE1-CE2 4.22Å; F115-F398 AromaticContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CG-CD2 4.28Å; F115-F398 HydrophobicContact CG-CE2 4.05Å; F115-F398 AromaticContact CZ-CE2 3.98Å; F115-F398 HydrophobicContact CZ-CE2 3.98Å; F115-E401 HydrophobicContact CD1-CB 3.76Å; F115-E401 HydrophobicContact CD1-CG 4.48Å; F115-E401 HydrophobicContact CE1-CB 4.07Å; F115-L402 HydrophobicContact CE1-CD2 4.04Å; F115-L402 HydrophobicContact CE2-CD2 4.4Å; F115-L402 HydrophobicContact CZ-CD2 3.58Å; F115-C426 HydrophobicContact CE2-CB 4.16Å; F115-C426 VanDerWaalsContact CE2-O 3.25Å; F115-C426 WeakPolarHBondContact CE2-O 3.27Å; F115-C426 HydrophobicContact CZ-CB 4Å; F115-H505 AromaticContact CE1-CD2 3.78Å
116K97.9Very high82.4Confident109 Ų109114.5 Ų114.547%0.47457%0.568SS.*PPolyproline II helixtrans-54.3138.4173.5-74.3176.1-174.6-177.10110.8R322 E397 E401K116-R322 WeakPolarHBondContact O-CD 3.47Å; K116-R322 PolarHBondContact O-NH1 3.41Å; K116-E397 WeakPolarHBondContact CD-OE2 3.32Å; K116-E397 IonicContact NZ-OE1 2.76Å; K116-E397 IonicContact NZ-OE2 3.6Å; K116-E397 PolarHBondContact NZ-OE2 3.25Å; K116-E401 VanDerWaalsContact CG-OE1 3.32Å; K116-E401 WeakPolarHBondContact CG-OE1 3.36Å; K116-E401 PolarHBondContact N-OE1 2.86Å
117P97.7Very high85.2Confident101 Ų101108.7 Ų108.766%0.65654%0.536SS*.PPolyproline II helixtrans-70.2159.6179.731.1-36000111.4T119P117-T119 PolarHBondContact O-N 3.03Å
118Q97.9Very high87.9Confident70 Ų70107.6 Ų107.633%0.32752%0.523SS..PPolyproline II helixtrans-65120.1172-174.368.61300110.2F120 S319 K320 R322Q118-F120 WeakPolarHBondContact CG-O 3.44Å; Q118-F120 PolarHBondContact NE2-O 3.09Å; Q118-S319 PolarHBondContact NE2-O 3.23Å; Q118-K320 PolarHBondContact NE2-O 2.88Å; Q118-R322 VanDerWaalsContact OE1-CB 3.3Å; Q118-R322 VanDerWaalsContact OE1-CG 3.3Å
119T97.6Very high90.4Very high130 Ų130105.1 Ų105.180%0.79852%0.518SS*.  trans-108.6-21.6173.3580000112.3P117P117-T119 PolarHBondContact O-N 3.03Å
120F97.8Very high92.8Very high51 Ų5199.4 Ų99.422%0.22451%0.509CS..  trans-85.5128.4-178.4-168.3-94.8000110.8Q118 Y122 N205 L207 S319Q118-F120 WeakPolarHBondContact CG-O 3.44Å; Q118-F120 PolarHBondContact NE2-O 3.09Å; F120-Y122 HydrophobicContact CE1-CD2 4.15Å; F120-N205 WeakPolarHBondContact CE1-O 3.2Å; F120-N205 HydrophobicContact CZ-CB 4.41Å; F120-N205 VanDerWaalsContact CZ-CG 3.42Å; F120-N205 VanDerWaalsContact CZ-ND2 3.25Å; F120-N205 WeakPolarHBondContact CZ-ND2 3.1Å; F120-N205 WeakPolarHBondContact CZ-O 3.31Å; F120-N205 WeakPolarHBondContact CZ-OD1 3.43Å; F120-L207 HydrophobicContact CD1-CD2 4.3Å; F120-L207 HydrophobicContact CD2-CD2 4.12Å; F120-L207 HydrophobicContact CE1-CD2 4.3Å; F120-L207 HydrophobicContact CE2-CD2 4.14Å; F120-L207 HydrophobicContact CG-CD2 4.18Å; F120-L207 HydrophobicContact CZ-CD2 4.2Å; F120-S319 VanDerWaalsContact CD1-O 3.31Å; F120-S319 WeakPolarHBondContact CD1-O 3.47Å
121T97.6Very high94.9Very high115 Ų11593.7 Ų93.771%0.70649%0.494SS*.  trans-98119.1177.8-58.70000109.7N205T121-N205 PolarHBondContact O-ND2 2.84Å
122Y98.2Very high96.2Very high16 Ų1688.9 Ų88.96%0.06347%0.474CS..  trans-134.4141.3177.8-172.7-95.6000110.1F120 D203 N205 L206 A316 S319 K320F120-Y122 HydrophobicContact CE1-CD2 4.15Å; Y122-D203 HydrophobicContact CD2-CB 4.24Å; Y122-D203 HydrophobicContact CE2-CB 3.67Å; Y122-D203 WeakPolarHBondContact CE2-O 3.46Å; Y122-D203 PolarHBondContact OH-N 3.28Å; Y122-D203 PolarHBondContact OH-O 3.46Å; Y122-D203 VanDerWaalsContact OH-O 3.11Å; Y122-N205 HydrophobicContact CD2-CB 4.36Å; Y122-N205 WeakPolarHBondContact CD2-O 3.37Å; Y122-N205 WeakPolarHBondContact CE2-O 3.37Å; Y122-L206 HydrophobicContact CE2-CD2 3.73Å; Y122-L206 HydrophobicContact CE2-CG 4.18Å; Y122-L206 VanDerWaalsContact OH-CD2 3.28Å; Y122-L206 WeakPolarHBondContact OH-CD2 3.3Å; Y122-A316 HydrophobicContact CE1-CB 3.76Å; Y122-A316 WeakPolarHBondContact OH-CB 3.48Å; Y122-S319 WeakPolarHBondContact CB-O 3.07Å; Y122-K320 HydrophobicContact CD1-CB 4.19Å
123R97.1Very high97Very high192 Ų19283.5 Ų83.573%0.72546%0.455SS*.PPolyproline II helixtrans-97.4137.4179-65178.4179.71791.8110
124D96.1Very high97.3Very high92 Ų9282.1 Ų82.149%0.49245%0.448SS..PPolyproline II helixtrans-54.9144.2173.7-74.7-41.2000111K320D124-K320 WeakPolarHBondContact OD1-CD 3.07Å; D124-K320 IonicContact OD1-NZ 2.77Å; D124-K320 PolarHBondContact OD1-NZ 2.8Å; D124-K320 IonicContact OD2-NZ 2.71Å; D124-K320 PolarHBondContact OD2-NZ 3.21Å
125P97.9Very high97.5Very high33 Ų3377.9 Ų77.921%0.21442%0.419CS..PPolyproline II helixtrans-64.2154.5174.631.6-36.8000110.7W200 H201 Y202P125-W200 HydrophobicContact CB-CE3 3.85Å; P125-W200 HydrophobicContact CB-CZ3 4.4Å; P125-W200 HydrophobicContact CG-CE3 3.96Å; P125-W200 HydrophobicContact CG-CZ3 4.16Å; P125-W200 WeakPolarHBondContact O-CZ3 3.31Å; P125-H201 CarbonylContact C-O 3.51Å; P125-H201 WeakPolarHBondContact CA-O 3.38Å; P125-H201 WeakPolarHBondContact CB-O 3.42Å; P125-Y202 HydrophobicContact CB-CD1 3.52Å; P125-Y202 HydrophobicContact CB-CE1 3.8Å; P125-Y202 HydrophobicContact CB-CG 4.08Å; P125-Y202 HydrophobicContact CG-CD1 3.98Å; P125-Y202 HydrophobicContact CG-CE1 3.94Å
126V98.3Very high97.5Very high78 Ų7877.5 Ų77.547%0.47342%0.418SS..EExtended strand (participates in β ladder)trans-116123.3-179.8-178.70000109.2R128 H201V126-R128 HydrophobicContact CG1-CG 4.17Å; V126-R128 PolarHBondContact O-N 3.27Å; V126-H201 PolarHBondContact N-O 3.13Å; V126-H201 PolarHBondContact O-N 3.19Å
127L98.3Very high97.4Very high34 Ų3474.9 Ų74.918%0.17841%0.412CS..EExtended strand (participates in β ladder)trans-73.8124.1171.7-177.263.6000109.6P129 E196 W200 T377L127-P129 HydrophobicContact CG-CG 4.33Å; L127-E196 HydrophobicContact CD1-CG 3.64Å; L127-E196 HydrophobicContact CD2-CG 3.68Å; L127-E196 WeakPolarHBondContact CD2-OE1 3.14Å; L127-E196 HydrophobicContact CG-CG 4.31Å; L127-W200 HydrophobicContact CB-CD2 4.06Å; L127-W200 HydrophobicContact CB-CE3 3.88Å; L127-W200 HydrophobicContact CB-CH2 3.89Å; L127-W200 HydrophobicContact CB-CZ2 4.03Å; L127-W200 HydrophobicContact CB-CZ3 3.8Å; L127-W200 HydrophobicContact CD1-CD2 4.08Å; L127-W200 HydrophobicContact CD1-CG 4.19Å; L127-W200 HydrophobicContact CD1-CZ2 4.42Å; L127-W200 HydrophobicContact CD2-CZ2 4.38Å; L127-T377 HydrophobicContact CD2-CG2 3.87Å
128R98.1Very high97.1Very high125 Ų12579.3 Ų79.347%0.47242%0.421SS..  trans-123.883.9177.2-59.9-173.2-176.6-155.10.3109.9V126 G130 I131 Y199V126-R128 HydrophobicContact CG1-CG 4.17Å; V126-R128 PolarHBondContact O-N 3.27Å; R128-G130 PolarHBondContact O-N 3.03Å; R128-I131 HydrophobicContact CB-CB 4.08Å; R128-I131 HydrophobicContact CB-CD1 4.37Å; R128-I131 PolarHBondContact O-N 3.05Å; R128-Y199 PolarHBondContact N-O 3.21Å
129P96.4Very high96.9Very high103 Ų10383 Ų8367%0.66944%0.438SS*.THydrogen-bonded Turntrans-52.2133.7-175.5-26.535.4000112.2L127 I131L127-P129 HydrophobicContact CG-CG 4.33Å; P129-I131 PolarHBondContact O-N 3.46Å
130G95.2Very high96.7Very high66 Ų6682.3 Ų82.368%0.6844%0.436SS*.THydrogen-bonded Turntrans77.8-5.4-179.200000115.4R128R128-G130 PolarHBondContact O-N 3.03Å
131I98Very high96.6Very high94 Ų9482 Ų8248%0.48244%0.435SS..SBendtrans-110.4111.2173.8-54.3179000108.4R128 P129 G133 H201R128-I131 HydrophobicContact CB-CB 4.08Å; R128-I131 HydrophobicContact CB-CD1 4.37Å; R128-I131 PolarHBondContact O-N 3.05Å; P129-I131 PolarHBondContact O-N 3.46Å; I131-G133 PolarHBondContact O-N 3.3Å; I131-H201 PolarHBondContact O-NE2 3.28Å; I131-H201 VanDerWaalsContact O-NE2 3.13Å
132L97.5Very high96.6Very high87 Ų8780.8 Ų80.846%0.45543%0.429SS..  trans-52.6133.2179.6-153.776.6000111.1E136 K198 H201L132-E136 HydrophobicContact CD1-CB 4.41Å; L132-E136 HydrophobicContact CD1-CG 3.98Å; L132-E136 HydrophobicContact CD2-CB 4.06Å; L132-E136 HydrophobicContact CD2-CG 4.02Å; L132-E136 HydrophobicContact CG-CB 3.89Å; L132-E136 HydrophobicContact CG-CG 3.96Å; L132-K198 HydrophobicContact CD1-CB 4.36Å; L132-H201 PolarHBondContact O-CE1 3.26Å; L132-H201 PolarHBondContact O-NE2 2.84Å
133G95.9Very high96.5Very high7 Ų782.2 Ų82.27%0.07244%0.441CS..  trans-64.3150.9-177.500000112.5I131 F135 E136 K198 W200I131-G133 PolarHBondContact O-N 3.3Å; G133-F135 PolarHBondContact O-N 2.03Å; G133-F135 VanDerWaalsContact O-N 3.13Å; G133-E136 PolarHBondContact O-N 3.13Å; G133-K198 PolarHBondContact N-O 3.05Å; G133-W200 VanDerWaalsContact CA-O 3.27Å; G133-W200 WeakPolarHBondContact CA-O 3.27Å
134N97.8Very high96.5Very high67 Ų6774.7 Ų74.736%0.35842%0.423SS..THydrogen-bonded Turntrans-69.1-7.8-17763.6-41.4000115H201 Y202N134-H201 VanDerWaalsContact OD1-CA 3.26Å; N134-H201 WeakPolarHBondContact OD1-CA 3.5Å; N134-Y202 PolarHBondContact ND2-O 3.42Å; N134-Y202 PolarHBondContact OD1-N 2.99Å
135F98.1Very high96.6Very high30 Ų3074.1 Ų74.113%0.13242%0.422CS..THydrogen-bonded Turntrans-112.1-0175.1-78.2-101.8000114G133 Y202 E204 L206 P235 Y238 N309 A312G133-F135 PolarHBondContact O-N 2.03Å; G133-F135 VanDerWaalsContact O-N 3.13Å; F135-Y202 HydrophobicContact CD2-CD2 4.05Å; F135-Y202 HydrophobicContact CD2-CG 4.41Å; F135-E204 HydrophobicContact CE2-CG 4Å; F135-E204 HydrophobicContact CZ-CG 4.14Å; F135-L206 HydrophobicContact CE1-CD1 3.88Å; F135-L206 HydrophobicContact CE2-CD1 4.49Å; F135-L206 HydrophobicContact CZ-CD1 3.61Å; F135-P235 HydrophobicContact CD1-CG 4.15Å; F135-P235 HydrophobicContact CE1-CG 4.19Å; F135-Y238 AromaticContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CZ-CE2 4.02Å; F135-N309 VanDerWaalsContact CB-OD1 3.26Å; F135-N309 WeakPolarHBondContact CB-OD1 3.36Å; F135-A312 HydrophobicContact CB-CB 4.36Å; F135-A312 HydrophobicContact CD1-CB 3.73Å; F135-A312 HydrophobicContact CD2-CB 4.19Å; F135-A312 HydrophobicContact CE1-CB 3.9Å; F135-A312 HydrophobicContact CE2-CB 4.39Å; F135-A312 HydrophobicContact CG-CB 3.86Å; F135-A312 HydrophobicContact CZ-CB 4.24Å
136E97.8Very high96.6Very high28 Ų2879 Ų7913%0.13145%0.451CS..SBendtrans-74.9140.4175.4-167.761.1-158.800110L132 G133 K138 R193 K198L132-E136 HydrophobicContact CD1-CB 4.41Å; L132-E136 HydrophobicContact CD1-CG 3.98Å; L132-E136 HydrophobicContact CD2-CB 4.06Å; L132-E136 HydrophobicContact CD2-CG 4.02Å; L132-E136 HydrophobicContact CG-CB 3.89Å; L132-E136 HydrophobicContact CG-CG 3.96Å; G133-E136 PolarHBondContact O-N 3.13Å; E136-K138 PolarHBondContact O-N 3.23Å; E136-R193 IonicContact OE1-CZ 3.59Å; E136-R193 IonicContact OE1-NH2 2.77Å; E136-R193 PolarHBondContact OE1-NH2 3.4Å; E136-R193 IonicContact OE2-CZ 2.73Å; E136-R193 IonicContact OE2-NH1 2.94Å; E136-R193 PolarHBondContact OE2-NH1 3.04Å; E136-R193 IonicContact OE2-NH2 3.44Å; E136-R193 PolarHBondContact OE2-NH2 2.85Å; E136-R193 VanDerWaalsContact OE2-NH2 3.17Å; E136-K198 HydrophobicContact CG-CB 4.5Å
137P95.4Very high96.3Very high54 Ų5479.1 Ų79.135%0.35147%0.468SS..  trans-57.7129.7171-23.935.1000110.5E139 V308P137-E139 VanDerWaalsContact C-N 3.27Å; P137-E139 WeakPolarHBondContact CB-O 3.31Å; P137-E139 PolarHBondContact O-N 2.97Å; P137-V308 HydrophobicContact CG-CG1 3.29Å
138K92.6Very high96.2Very high193 Ų19378.1 Ų78.184%0.83947%0.466SS*.SBendtrans-67.9-32.4178.4-64.3-177.1179.8-179.50112.2E136E136-K138 PolarHBondContact O-N 3.23Å
139E93.8Very high96.1Very high149 Ų14974.8 Ų74.870%0.69646%0.461SS*.SBendtrans-124.5153.7179.4-65.1-60.9156.800109.5P137 E141P137-E139 VanDerWaalsContact C-N 3.27Å; P137-E139 WeakPolarHBondContact CB-O 3.31Å; P137-E139 PolarHBondContact O-N 2.97Å; E139-E141 PolarHBondContact O-N 2.75Å
140P93.6Very high96.2Very high114 Ų11470.1 Ų70.174%0.7443%0.431SS*.PPolyproline II helixtrans-55138.1175.2-24.534000112.2
141E95.4Very high96.3Very high46 Ų4667.6 Ų67.622%0.21540%0.402CS..PPolyproline II helixtrans-60.6128.5177.8-170.1-174.210000110.5E139 S188 K232 R233E139-E141 PolarHBondContact O-N 2.75Å; E141-S188 WeakPolarHBondContact OE1-CA 3.21Å; E141-K232 WeakPolarHBondContact OE1-CE 3.26Å; E141-K232 IonicContact OE1-NZ 3.62Å; E141-K232 PolarHBondContact OE1-NZ 3.14Å; E141-R233 IonicContact OE1-CZ 3.04Å; E141-R233 IonicContact OE1-NE 3.23Å; E141-R233 IonicContact OE1-NH2 2.7Å; E141-R233 PolarHBondContact OE1-NH2 3.16Å; E141-R233 WeakPolarHBondContact OE2-CG 3.49Å; E141-R233 IonicContact OE2-CZ 3.77Å; E141-R233 IonicContact OE2-NE 3.54Å; E141-R233 PolarHBondContact OE2-NE 2.95Å; E141-R233 IonicContact OE2-NH2 2.89Å
142P96.6Very high96.3Very high89 Ų8969.7 Ų69.758%0.57841%0.407SS*.PPolyproline II helixtrans-66.4142.1177.126.7-33.7000110.8K232P142-K232 PolarHBondContact O-NZ 2.8Å
143P97.5Very high96.3Very high46 Ų4665.9 Ų65.930%0.29939%0.388SS..PPolyproline II helixtrans-65.5152.1173.630.9-35.4000110.2V146 E151P143-V146 HydrophobicContact CG-CG2 4.12Å; P143-E151 VanDerWaalsContact CA-OE2 3.3Å; P143-E151 WeakPolarHBondContact CA-OE2 3.04Å; P143-E151 VanDerWaalsContact CB-CD 3.44Å; P143-E151 HydrophobicContact CB-CG 4.03Å; P143-E151 VanDerWaalsContact CB-OE2 3.23Å; P143-E151 WeakPolarHBondContact CB-OE2 3.3Å
144G97.2Very high96.4Very high34 Ų3472.4 Ų72.435%0.35142%0.415SS..SBendtrans-68.3-39.517400000111.2E151 D186G144-E151 WeakPolarHBondContact CA-OE1 3.33Å; G144-E151 PolarHBondContact N-OE1 2.82Å; G144-D186 PolarHBondContact N-O 3.16Å
145V97.7Very high96.4Very high79 Ų7973 Ų7348%0.47942%0.423SS..SBendtrans-128122.7169.2177.80000108.7G147 G148 E151V145-G147 PolarHBondContact O-N 2.92Å; V145-G147 VanDerWaalsContact O-N 3.1Å; V145-G148 PolarHBondContact O-N 3.37Å; V145-E151 PolarHBondContact N-OE1 3.03Å; V145-E151 WeakPolarHBondContact O-CG 3.25Å
146V96.6Very high96.4Very high135 Ų13572.9 Ų72.982%0.81842%0.423SS*.THydrogen-bonded Turntrans-61.5116.6-179-179.10000110.1P143 G148P143-V146 HydrophobicContact CG-CG2 4.12Å; V146-G148 PolarHBondContact O-N 2.82Å
147G93.3Very high96.4Very high81 Ų8177.1 Ų77.184%0.83545%0.45SS*.THydrogen-bonded Turntrans70.612.3-175.600000114.3V145V145-G147 PolarHBondContact O-N 2.92Å; V145-G147 VanDerWaalsContact O-N 3.1Å
148G95.2Very high96.4Very high14 Ų1476.3 Ų76.314%0.14444%0.443CS..  trans-67.4162.2-179.400000113.7V145 V146 E151V145-G148 PolarHBondContact O-N 3.37Å; V146-G148 PolarHBondContact O-N 2.82Å; G148-E151 WeakPolarHBondContact O-CG 3.09Å
149P97.5Very high96.4Very high55 Ų5568.2 Ų68.236%0.35742%0.415SS..THydrogen-bonded Turntrans-64.7143.8177.130.4-37000111.3E151 L156 M182P149-E151 PolarHBondContact O-N 3.01Å; P149-E151 VanDerWaalsContact O-N 3.16Å; P149-L156 HydrophobicContact CB-CD1 3.62Å; P149-L156 HydrophobicContact CB-CD2 3.95Å; P149-L156 HydrophobicContact CB-CG 4.36Å; P149-M182 HydrophobicContact CG-CB 4.41Å; P149-M182 WeakPolarHBondContact CG-O 3.39Å
150G97.2Very high96.5Very high4 Ų466.6 Ų66.64%0.04142%0.417CS..THydrogen-bonded Turntrans73.5-2.9176.200000116.2A153 K154 R187G150-A153 WeakPolarHBondContact O-CA 3.35Å; G150-A153 PolarHBondContact O-N 3.36Å; G150-K154 WeakPolarHBondContact CA-O 3.22Å; G150-R187 VanDerWaalsContact O-CD 3.22Å; G150-R187 WeakPolarHBondContact O-CD 3.28Å; G150-R187 PolarHBondContact O-NH1 2.95Å
151E97.9Very high96.7Very high14 Ų1467.5 Ų67.57%0.06541%0.411CS..G310 helixtrans-62.1145.6176-69.5-69.4168.500111.7P143 G144 V145 G148 P149 A153 K154 S188P143-E151 VanDerWaalsContact CA-OE2 3.3Å; P143-E151 WeakPolarHBondContact CA-OE2 3.04Å; P143-E151 VanDerWaalsContact CB-CD 3.44Å; P143-E151 HydrophobicContact CB-CG 4.03Å; P143-E151 VanDerWaalsContact CB-OE2 3.23Å; P143-E151 WeakPolarHBondContact CB-OE2 3.3Å; G144-E151 WeakPolarHBondContact CA-OE1 3.33Å; G144-E151 PolarHBondContact N-OE1 2.82Å; V145-E151 PolarHBondContact N-OE1 3.03Å; V145-E151 WeakPolarHBondContact O-CG 3.25Å; G148-E151 WeakPolarHBondContact O-CG 3.09Å; P149-E151 PolarHBondContact O-N 3.01Å; P149-E151 VanDerWaalsContact O-N 3.16Å; E151-A153 PolarHBondContact O-N 3.25Å; E151-K154 WeakPolarHBondContact O-CG 3.43Å; E151-K154 PolarHBondContact O-N 2.92Å; E151-K154 VanDerWaalsContact O-N 3.1Å; E151-S188 WeakPolarHBondContact OE2-CB 3.46Å; E151-S188 PolarHBondContact OE2-N 3.4Å; E151-S188 PolarHBondContact OE2-OG 2.59Å
152K97Very high96.8Very high137 Ų13768.5 Ų68.560%0.59642%0.415SS*.G310 helixtrans53.129.9-172.3-54.4-179.4-179.9-176.60112.5K154 S188K152-K154 PolarHBondContact O-N 3.33Å; K152-S188 WeakPolarHBondContact CA-O 3.44Å; K152-S188 WeakPolarHBondContact CG-OG 3.32Å; K152-S188 PolarHBondContact N-O 2.83Å; K152-S188 PolarHBondContact N-OG 2.85Å
153A97.8Very high96.8Very high7 Ų770 Ų706%0.05841%0.413CS..G310 helixtrans53.632.8-174.800000114.5G150 E151 S188 N190 E339 I340G150-A153 WeakPolarHBondContact O-CA 3.35Å; G150-A153 PolarHBondContact O-N 3.36Å; E151-A153 PolarHBondContact O-N 3.25Å; A153-S188 PolarHBondContact N-O 3.17Å; A153-N190 HydrophobicContact CB-CB 4.13Å; A153-N190 WeakPolarHBondContact CB-OD1 3.16Å; A153-E339 WeakPolarHBondContact O-CA 3.25Å; A153-E339 VanDerWaalsContact O-CB 3.31Å; A153-E339 WeakPolarHBondContact O-CB 3.39Å; A153-I340 HydrophobicContact CB-CB 4.2Å; A153-I340 HydrophobicContact CB-CD1 4.17Å; A153-I340 HydrophobicContact CB-CG1 3.75Å
154K97.9Very high96.8Very high144 Ų14475 Ų7563%0.62643%0.432SS*.  trans-67.3139.5170.7-72.4-176.7178-175.70110.2G150 E151 K152 L156G150-K154 WeakPolarHBondContact CA-O 3.22Å; E151-K154 WeakPolarHBondContact O-CG 3.43Å; E151-K154 PolarHBondContact O-N 2.92Å; E151-K154 VanDerWaalsContact O-N 3.1Å; K152-K154 PolarHBondContact O-N 3.33Å; K154-L156 PolarHBondContact O-N 3.15Å
155P98.1Very high96.8Very high81 Ų8175.8 Ų75.853%0.52643%0.434SS..  trans-63.8133.1179.326.3-34.1000110.6T337 E339P155-T337 WeakPolarHBondContact CA-O 3.44Å; P155-E339 HydrophobicContact CB-CB 4.15Å; P155-E339 HydrophobicContact CB-CG 4.49Å
156L98.1Very high96.8Very high26 Ų2673 Ų7314%0.13642%0.417CS..  trans-100.8100.6173.6-177.761.9000109.7P149 K154 L158 A179 M182 I183 T337P149-L156 HydrophobicContact CB-CD1 3.62Å; P149-L156 HydrophobicContact CB-CD2 3.95Å; P149-L156 HydrophobicContact CB-CG 4.36Å; K154-L156 PolarHBondContact O-N 3.15Å; L156-L158 HydrophobicContact CD1-CD2 4.3Å; L156-L158 HydrophobicContact CD2-CD2 4.34Å; L156-L158 HydrophobicContact CG-CD2 4.1Å; L156-A179 HydrophobicContact CD2-CB 4.11Å; L156-M182 HydrophobicContact CD2-CB 4.26Å; L156-I183 HydrophobicContact CB-CD1 4.4Å; L156-I183 HydrophobicContact CD2-CD1 4.08Å; L156-I183 HydrophobicContact CD2-CG1 3.8Å; L156-T337 PolarHBondContact N-O 3.35Å
157V97.4Very high96.9Very high117 Ų11771.5 Ų71.571%0.70940%0.401SS*.  trans-96.9115.4176.3-175.70000108.9T337V157-T337 HydrophobicContact CG2-CG2 4.01Å
158L96.4Very high97Very high37 Ų3770.4 Ų70.419%0.19438%0.384CS..  trans-88.9153.3176.8-61.1-178.5000111.4L156 F162 I166 V178 A179 M182L156-L158 HydrophobicContact CD1-CD2 4.3Å; L156-L158 HydrophobicContact CD2-CD2 4.34Å; L156-L158 HydrophobicContact CG-CD2 4.1Å; L158-F162 HydrophobicContact CB-CB 4.26Å; L158-F162 HydrophobicContact CB-CD2 3.95Å; L158-F162 HydrophobicContact CB-CG 4.35Å; L158-F162 HydrophobicContact CD1-CB 4.34Å; L158-F162 HydrophobicContact CD1-CD2 4.46Å; L158-F162 HydrophobicContact CD1-CG 4.29Å; L158-I166 HydrophobicContact CB-CD1 4.12Å; L158-I166 HydrophobicContact CD1-CD1 4.17Å; L158-V178 HydrophobicContact CD1-CB 4.25Å; L158-V178 HydrophobicContact CD1-CG1 3.79Å; L158-A179 HydrophobicContact CD1-CB 4.02Å; L158-A179 HydrophobicContact CG-CB 4.5Å; L158-M182 HydrophobicContact CD1-SD 4.43Å; L158-M182 HydrophobicContact CD2-SD 3.88Å
159G92.7Very high97.1Very high24 Ų2470.3 Ų70.325%0.24738%0.381CS..  trans-75169.4179.400000114.2E161 F162G159-E161 WeakPolarHBondContact CA-OE1 3.33Å; G159-E161 VanDerWaalsContact CA-OE2 3.26Å; G159-E161 WeakPolarHBondContact CA-OE2 3.07Å; G159-E161 PolarHBondContact O-N 2.97Å; G159-E161 VanDerWaalsContact O-N 3.16Å; G159-F162 PolarHBondContact O-N 3.47Å; G159-F162 VanDerWaalsContact O-N 3.12Å
160P95.8Very high97.1Very high114 Ų11468.7 Ų68.774%0.7437%0.369SS*.G310 helixtrans-61.6-22.2-177.927.1-35.7000113.8F162 K163P160-F162 PolarHBondContact O-N 3.19Å; P160-K163 WeakPolarHBondContact O-CB 3.4Å; P160-K163 PolarHBondContact O-N 2.73Å; P160-K163 VanDerWaalsContact O-N 3.07Å
161E97.4Very high97.1Very high134 Ų13473.6 Ų73.663%0.62639%0.389SS*.G310 helixtrans-58.9-28.2174.766.9-76.6178.500112.9G159G159-E161 WeakPolarHBondContact CA-OE1 3.33Å; G159-E161 VanDerWaalsContact CA-OE2 3.26Å; G159-E161 WeakPolarHBondContact CA-OE2 3.07Å; G159-E161 PolarHBondContact O-N 2.97Å; G159-E161 VanDerWaalsContact O-N 3.16Å
162F97.5Very high97Very high67 Ų6777.4 Ų77.429%0.29441%0.407SS..G310 helixtrans-88.9-5.7177.9-65.3-75.9000113.6L158 G159 P160 H164 A165 I166 V178 M182L158-F162 HydrophobicContact CB-CB 4.26Å; L158-F162 HydrophobicContact CB-CD2 3.95Å; L158-F162 HydrophobicContact CB-CG 4.35Å; L158-F162 HydrophobicContact CD1-CB 4.34Å; L158-F162 HydrophobicContact CD1-CD2 4.46Å; L158-F162 HydrophobicContact CD1-CG 4.29Å; G159-F162 PolarHBondContact O-N 3.47Å; G159-F162 VanDerWaalsContact O-N 3.12Å; P160-F162 PolarHBondContact O-N 3.19Å; F162-H164 VanDerWaalsContact C-N 3.31Å; F162-H164 PolarHBondContact O-N 3.35Å; F162-H164 VanDerWaalsContact O-N 3.16Å; F162-A165 PolarHBondContact O-N 3.37Å; F162-I166 HydrophobicContact CB-CD1 3.76Å; F162-I166 HydrophobicContact CB-CG1 4.08Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.46Å; F162-I166 PolarHBondContact O-N 3.35Å; F162-V178 HydrophobicContact CD1-CG1 3.82Å; F162-V178 HydrophobicContact CE1-CG1 4.45Å; F162-V178 HydrophobicContact CG-CG1 4.41Å; F162-M182 HydrophobicContact CD1-CE 4.42Å; F162-M182 HydrophobicContact CE1-CE 3.78Å; F162-M182 HydrophobicContact CZ-CE 3.97Å
163K96.2Very high97Very high121 Ų12172.1 Ų72.153%0.52638%0.384SS..Hα-helixtrans-52.6-44.8-169.8-177.2179.4179.4-179.70113.5P160 I166 Q167P160-K163 WeakPolarHBondContact O-CB 3.4Å; P160-K163 PolarHBondContact O-N 2.73Å; P160-K163 VanDerWaalsContact O-N 3.07Å; K163-I166 PolarHBondContact O-N 2.97Å; K163-Q167 WeakPolarHBondContact O-CB 3.5Å; K163-Q167 VanDerWaalsContact O-CG 3.31Å; K163-Q167 WeakPolarHBondContact O-CG 3.38Å; K163-Q167 PolarHBondContact O-N 3Å
164H97.2Very high96.9Very high151 Ų15171.8 Ų71.870%0.69938%0.381SS*.Hα-helixtrans-67.4-42.3-179.7-72-68.6000112.5F162 Q167 A168F162-H164 VanDerWaalsContact C-N 3.31Å; F162-H164 PolarHBondContact O-N 3.35Å; F162-H164 VanDerWaalsContact O-N 3.16Å; H164-Q167 PolarHBondContact O-N 2.95Å; H164-A168 WeakPolarHBondContact O-CB 3.31Å; H164-A168 PolarHBondContact O-N 3.38Å
165A98Very high96.8Very high49 Ų4964.9 Ų64.941%0.40535%0.351SS..Hα-helixtrans-67-40177.200000111.5F162 A168 S169 V178F162-A165 PolarHBondContact O-N 3.37Å; A165-A168 PolarHBondContact O-N 3.32Å; A165-S169 PolarHBondContact O-N 3.46Å; A165-S169 PolarHBondContact O-OG 2.63Å; A165-V178 HydrophobicContact CB-CG2 3.78Å
166I98Very high96.8Very high21 Ų2161.1 Ų61.111%0.10833%0.327CS..Hα-helixtrans-59.4-53.3174.3-66.6169000109.8L158 F162 K163 A168 S169 I170 N176 V178L158-I166 HydrophobicContact CB-CD1 4.12Å; L158-I166 HydrophobicContact CD1-CD1 4.17Å; F162-I166 HydrophobicContact CB-CD1 3.76Å; F162-I166 HydrophobicContact CB-CG1 4.08Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.46Å; F162-I166 PolarHBondContact O-N 3.35Å; K163-I166 PolarHBondContact O-N 2.97Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 3.5Å; I166-S169 PolarHBondContact O-N 3Å; I166-S169 VanDerWaalsContact O-N 3.13Å; I166-S169 PolarHBondContact O-OG 2.86Å; I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.24Å; I166-I170 VanDerWaalsContact O-CG1 3.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.22Å; I166-I170 PolarHBondContact O-N 2.81Å; I166-N176 HydrophobicContact CG2-CB 4.25Å; I166-V178 HydrophobicContact CG1-CB 4.2Å; I166-V178 HydrophobicContact CG1-CG2 4.29Å
167Q97.1Very high96.9Very high104 Ų10460.4 Ų60.449%0.48632%0.323SS..Hα-helixtrans-58.8-40.5179.3-75.5178.2-18.500112.7K163 H164 I170 K171K163-Q167 WeakPolarHBondContact O-CB 3.5Å; K163-Q167 VanDerWaalsContact O-CG 3.31Å; K163-Q167 WeakPolarHBondContact O-CG 3.38Å; K163-Q167 PolarHBondContact O-N 3Å; H164-Q167 PolarHBondContact O-N 2.95Å; Q167-I170 PolarHBondContact O-N 3.07Å; Q167-K171 WeakPolarHBondContact O-CB 3.33Å; Q167-K171 PolarHBondContact O-N 2.99Å
168A97.4Very high96.9Very high58 Ų5856.1 Ų56.148%0.47930%0.297SS..Hα-helixtrans-61.9-47.1174.900000111.5H164 A165 I166 I170 K171 E172H164-A168 WeakPolarHBondContact O-CB 3.31Å; H164-A168 PolarHBondContact O-N 3.38Å; A165-A168 PolarHBondContact O-N 3.32Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 3.5Å; A168-I170 PolarHBondContact O-N 3.08Å; A168-K171 WeakPolarHBondContact O-CB 3.39Å; A168-K171 PolarHBondContact O-N 2.95Å; A168-E172 PolarHBondContact O-N 3.36Å; A168-E172 VanDerWaalsContact O-N 3.16Å
169S97.3Very high97Very high11 Ų1154.4 Ų54.48%0.07729%0.288CS..Hα-helixtrans-64.9-38.3178.469.60000113.5A165 I166 E172 F173 F175 M177A165-S169 PolarHBondContact O-N 3.46Å; A165-S169 PolarHBondContact O-OG 2.63Å; I166-S169 PolarHBondContact O-N 3Å; I166-S169 VanDerWaalsContact O-N 3.13Å; I166-S169 PolarHBondContact O-OG 2.86Å; S169-E172 PolarHBondContact O-N 2.73Å; S169-F173 PolarHBondContact O-N 2.94Å; S169-F175 CarbonylContact C-O 3.58Å; S169-F175 PolarHBondContact OG-O 3.3Å; S169-M177 PolarHBondContact OG-N 3.04Å
170I97.3Very high97.3Very high22 Ų2253.2 Ų53.211%0.11328%0.276CS..Hα-helixtrans-64.9-42.7175.9-68.1172000110.2I166 Q167 A168 E172 G174 F175 L444 E445I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.24Å; I166-I170 VanDerWaalsContact O-CG1 3.32Å; I166-I170 WeakPolarHBondContact O-CG1 3.22Å; I166-I170 PolarHBondContact O-N 2.81Å; Q167-I170 PolarHBondContact O-N 3.07Å; A168-I170 PolarHBondContact O-N 3.08Å; I170-E172 PolarHBondContact O-N 2.82Å; I170-G174 WeakPolarHBondContact O-CA 3.47Å; I170-G174 PolarHBondContact O-N 3.38Å; I170-F175 WeakPolarHBondContact CA-O 3.21Å; I170-F175 PolarHBondContact N-O 3.2Å; I170-L444 HydrophobicContact CD1-CD1 3.57Å; I170-L444 HydrophobicContact CG1-CD1 3.84Å; I170-L444 HydrophobicContact CG2-CB 3.97Å; I170-E445 WeakPolarHBondContact CG2-O 3.22Å
171K96.4Very high97.4Very high107 Ų10752.7 Ų52.747%0.46527%0.267SS..Hα-helixtrans-58.9-39.2177.6-171.4177.7178.6-179.50111.8Q167 A168 Q448Q167-K171 WeakPolarHBondContact O-CB 3.33Å; Q167-K171 PolarHBondContact O-N 2.99Å; A168-K171 WeakPolarHBondContact O-CB 3.39Å; A168-K171 PolarHBondContact O-N 2.95Å; K171-Q448 HydrophobicContact CG-CG 3.77Å; K171-Q448 PolarHBondContact O-N 2.86Å
172E95.7Very high97.5Very high94 Ų9450.2 Ų50.244%0.43926%0.256SS..Hα-helixtrans-79.3-49.7-177.4-173.3171.7-177.200113.5A168 S169 I170 K251 W447A168-E172 PolarHBondContact O-N 3.36Å; A168-E172 VanDerWaalsContact O-N 3.16Å; S169-E172 PolarHBondContact O-N 2.73Å; I170-E172 PolarHBondContact O-N 2.82Å; E172-K251 WeakPolarHBondContact OE1-CE 3.4Å; E172-K251 IonicContact OE1-NZ 3.99Å; E172-K251 PolarHBondContact OE1-NZ 2.82Å; E172-W447 PolarHBondContact O-NE1 3.11Å
173F96.3Very high97.5Very high25 Ų2547.3 Ų47.311%0.1124%0.244CC..Hα-helixtrans-109.6-18.8-170.4-60.3-78.4000113.9S169 F175 M177S169-F173 PolarHBondContact O-N 2.94Å; F173-F175 VanDerWaalsContact C-N 3.27Å; F173-F175 HydrophobicContact CB-CD2 4.41Å; F173-M177 HydrophobicContact CB-CG 3.96Å; F173-M177 HydrophobicContact CB-SD 4.35Å; F173-M177 HydrophobicContact CD2-CB 4.48Å; F173-M177 HydrophobicContact CD2-CG 3.46Å; F173-M177 VanDerWaalsContact CD2-CG 3.46Å; F173-M177 HydrophobicContact CE2-CG 4.14Å; F173-M177 HydrophobicContact CG-CG 3.81Å; F173-M177 HydrophobicContact CG-SD 4.4Å
174G96.9Very high97.7Very high0 Ų042.7 Ų42.70%023%0.227CC..SBendtrans79.48.5-171.400000114.1I170 R443 L444 W447I170-G174 WeakPolarHBondContact O-CA 3.47Å; I170-G174 PolarHBondContact O-N 3.38Å; G174-R443 WeakPolarHBondContact O-CA 3.37Å; G174-L444 PolarHBondContact O-N 3.21Å; G174-W447 VanDerWaalsContact N-CD1 3.27Å
175F96.4Very high97.7Very high0 Ų037.1 Ų37.10%020%0.202CC..SBendtrans-131.9155.9178.3-46.9-53.9000110S169 I170 F173 M177 E218 T222 H303 I441 R443S169-F175 CarbonylContact C-O 3.58Å; S169-F175 PolarHBondContact OG-O 3.3Å; I170-F175 WeakPolarHBondContact CA-O 3.21Å; I170-F175 PolarHBondContact N-O 3.2Å; F173-F175 VanDerWaalsContact C-N 3.27Å; F173-F175 HydrophobicContact CB-CD2 4.41Å; F175-M177 VanDerWaalsContact C-N 3.33Å; F175-M177 HydrophobicContact CB-SD 4.32Å; F175-M177 PolarHBondContact O-N 3.07Å; F175-E218 WeakPolarHBondContact CE2-OE1 3.49Å; F175-T222 HydrophobicContact CD2-CG2 4.44Å; F175-H303 HydrophobicContact CE2-CB 4.27Å; F175-H303 HydrophobicContact CZ-CB 4.33Å; F175-H303 AromaticContact CZ-CG 3.84Å; F175-H303 AromaticContact CZ-ND1 3.92Å; F175-I441 HydrophobicContact CD1-CB 4.33Å; F175-I441 HydrophobicContact CD1-CG2 3.36Å; F175-I441 HydrophobicContact CE1-CB 3.99Å; F175-I441 HydrophobicContact CE1-CG2 3.45Å; F175-I441 VanDerWaalsContact CE1-CG2 3.45Å; F175-I441 HydrophobicContact CG-CG2 4.05Å; F175-I441 HydrophobicContact CZ-CB 4.35Å; F175-I441 HydrophobicContact CZ-CG2 4.22Å; F175-R443 HydrophobicContact CD1-CG 4.17Å; F175-R443 HydrophobicContact CE1-CB 4.17Å; F175-R443 HydrophobicContact CE1-CG 3.35Å; F175-R443 HydrophobicContact CZ-CG 3.67Å
176N98.2Very high97.8Very high2 Ų237.9 Ų37.91%0.01120%0.199CC..  trans-74.189168.1-177.8-10000109I166 V178 A179 S180 G335 N336 Y338I166-N176 HydrophobicContact CG2-CB 4.25Å; N176-V178 VanDerWaalsContact C-N 3.29Å; N176-V178 PolarHBondContact O-N 3.05Å; N176-V178 PolarHBondContact OD1-N 2.57Å; N176-A179 HydrophobicContact CB-CB 4.32Å; N176-A179 PolarHBondContact O-N 3.32Å; N176-A179 PolarHBondContact OD1-N 2.94Å; N176-S180 PolarHBondContact O-N 3.47Å; N176-G335 WeakPolarHBondContact CB-O 3.09Å; N176-G335 PolarHBondContact N-O 2.99Å; N176-N336 PolarHBondContact ND2-O 3.47Å; N176-N336 VanDerWaalsContact ND2-O 3.12Å; N176-N336 PolarHBondContact ND2-OD1 3.44Å; N176-Y338 HydrophobicContact CB-CE2 4.41Å; N176-Y338 VanDerWaalsContact O-CE2 3.22Å; N176-Y338 WeakPolarHBondContact O-CE2 3.29Å; N176-Y338 PolarHBondContact O-OH 3.4Å
177M98.5Very high97.8Very high11 Ų1137 Ų375%0.05419%0.194CC..Hα-helixtrans-70.6-28.6-179.7-65.7-59.9-61.100112S169 F173 F175 A179 S180 D181 G219 S221 T222S169-M177 PolarHBondContact OG-N 3.04Å; F173-M177 HydrophobicContact CB-CG 3.96Å; F173-M177 HydrophobicContact CB-SD 4.35Å; F173-M177 HydrophobicContact CD2-CB 4.48Å; F173-M177 HydrophobicContact CD2-CG 3.46Å; F173-M177 VanDerWaalsContact CD2-CG 3.46Å; F173-M177 HydrophobicContact CE2-CG 4.14Å; F173-M177 HydrophobicContact CG-CG 3.81Å; F173-M177 HydrophobicContact CG-SD 4.4Å; F175-M177 VanDerWaalsContact C-N 3.33Å; F175-M177 HydrophobicContact CB-SD 4.32Å; F175-M177 PolarHBondContact O-N 3.07Å; M177-A179 VanDerWaalsContact C-N 3.31Å; M177-A179 PolarHBondContact O-N 3.45Å; M177-S180 WeakPolarHBondContact O-CB 3.4Å; M177-S180 PolarHBondContact O-N 2.84Å; M177-S180 VanDerWaalsContact O-N 3.16Å; M177-D181 WeakPolarHBondContact O-CB 3.46Å; M177-D181 PolarHBondContact O-N 2.87Å; M177-G219 VanDerWaalsContact CE-CA 3.5Å; M177-S221 WeakPolarHBondContact CE-OG 3.39Å; M177-T222 HydrophobicContact CE-CG2 4.45Å; M177-T222 HydrophobicContact SD-CG2 4.06Å
178V98.5Very high97.9Very high27 Ų2732.2 Ų32.216%0.16417%0.172CC..Hα-helixtrans-58.7-45.6176.4-176.20000110.7L158 F162 A165 I166 N176 M182L158-V178 HydrophobicContact CD1-CB 4.25Å; L158-V178 HydrophobicContact CD1-CG1 3.79Å; F162-V178 HydrophobicContact CD1-CG1 3.82Å; F162-V178 HydrophobicContact CE1-CG1 4.45Å; F162-V178 HydrophobicContact CG-CG1 4.41Å; A165-V178 HydrophobicContact CB-CG2 3.78Å; I166-V178 HydrophobicContact CG1-CB 4.2Å; I166-V178 HydrophobicContact CG1-CG2 4.29Å; N176-V178 VanDerWaalsContact C-N 3.29Å; N176-V178 PolarHBondContact O-N 3.05Å; N176-V178 PolarHBondContact OD1-N 2.57Å; V178-M182 HydrophobicContact CG1-CE 3.95Å; V178-M182 WeakPolarHBondContact O-CG 3.37Å
179A98.5Very high97.9Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-66.7-45174.200000111.7L156 L158 N176 M177 D181 M182 I183 Y338L156-A179 HydrophobicContact CD2-CB 4.11Å; L158-A179 HydrophobicContact CD1-CB 4.02Å; L158-A179 HydrophobicContact CG-CB 4.5Å; N176-A179 HydrophobicContact CB-CB 4.32Å; N176-A179 PolarHBondContact O-N 3.32Å; N176-A179 PolarHBondContact OD1-N 2.94Å; M177-A179 VanDerWaalsContact C-N 3.31Å; M177-A179 PolarHBondContact O-N 3.45Å; A179-D181 VanDerWaalsContact C-N 3.33Å; A179-D181 PolarHBondContact O-N 3.11Å; A179-M182 PolarHBondContact O-N 2.92Å; A179-I183 WeakPolarHBondContact O-CG1 3.39Å; A179-I183 PolarHBondContact O-N 2.92Å; A179-Y338 HydrophobicContact CB-CD2 4.02Å; A179-Y338 HydrophobicContact CB-CE2 3.91Å
180S98.7Very high97.9Very high0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-55-47.7178.2-153.20000112.2N176 M177 M182 I183 S221 R225 Y338N176-S180 PolarHBondContact O-N 3.47Å; M177-S180 WeakPolarHBondContact O-CB 3.4Å; M177-S180 PolarHBondContact O-N 2.84Å; M177-S180 VanDerWaalsContact O-N 3.16Å; S180-M182 PolarHBondContact O-N 2.98Å; S180-I183 PolarHBondContact O-N 3.11Å; S180-S221 VanDerWaalsContact CB-OG 3.26Å; S180-S221 WeakPolarHBondContact CB-OG 3.18Å; S180-S221 PolarHBondContact OG-OG 2.81Å; S180-R225 PolarHBondContact O-NH2 3.1Å; S180-R225 PolarHBondContact OG-NH2 3.49Å; S180-Y338 VanDerWaalsContact CB-CZ 3.49Å; S180-Y338 VanDerWaalsContact CB-OH 3.22Å; S180-Y338 WeakPolarHBondContact CB-OH 3.42Å; S180-Y338 WeakPolarHBondContact OG-CE1 3.32Å; S180-Y338 PolarHBondContact OG-OH 3.39Å
181D98.6Very high98Very high103 Ų10334.6 Ų34.655%0.55118%0.178SC*.Hα-helixtrans-66.5-22-173.6-67.4-12000112.3M177 A179 S221M177-D181 WeakPolarHBondContact O-CB 3.46Å; M177-D181 PolarHBondContact O-N 2.87Å; A179-D181 VanDerWaalsContact C-N 3.33Å; A179-D181 PolarHBondContact O-N 3.11Å; D181-S221 WeakPolarHBondContact OD1-CB 3.42Å; D181-S221 PolarHBondContact OD1-OG 3.39Å
182M98.4Very high98.1Very high82 Ų8231.6 Ų31.640%0.40417%0.166SC..Hα-helixtrans-83.8-21.6174.2-64.3179-175.800113.3P149 L156 L158 F162 V178 A179 S180P149-M182 HydrophobicContact CG-CB 4.41Å; P149-M182 WeakPolarHBondContact CG-O 3.39Å; L156-M182 HydrophobicContact CD2-CB 4.26Å; L158-M182 HydrophobicContact CD1-SD 4.43Å; L158-M182 HydrophobicContact CD2-SD 3.88Å; F162-M182 HydrophobicContact CD1-CE 4.42Å; F162-M182 HydrophobicContact CE1-CE 3.78Å; F162-M182 HydrophobicContact CZ-CE 3.97Å; V178-M182 HydrophobicContact CG1-CE 3.95Å; V178-M182 WeakPolarHBondContact O-CG 3.37Å; A179-M182 PolarHBondContact O-N 2.92Å; S180-M182 PolarHBondContact O-N 2.98Å
183I98.8Very high98.2Very high5 Ų527.9 Ų27.93%0.02615%0.148CC..SBendtrans-83.3137-179.3-63.4169.7000109.1L156 A179 S180 L185 R187 R225 Y338L156-I183 HydrophobicContact CB-CD1 4.4Å; L156-I183 HydrophobicContact CD2-CD1 4.08Å; L156-I183 HydrophobicContact CD2-CG1 3.8Å; A179-I183 WeakPolarHBondContact O-CG1 3.39Å; A179-I183 PolarHBondContact O-N 2.92Å; S180-I183 PolarHBondContact O-N 3.11Å; I183-L185 PolarHBondContact O-N 3.45Å; I183-R187 HydrophobicContact CG2-CB 4.07Å; I183-R187 VanDerWaalsContact CG2-CD 3.46Å; I183-R187 HydrophobicContact CG2-CG 3.89Å; I183-R225 VanDerWaalsContact C-NH1 3.31Å; I183-R225 PolarHBondContact O-NH1 3.32Å; I183-Y338 VanDerWaalsContact CD1-CB 3.47Å; I183-Y338 HydrophobicContact CD1-CD1 4.29Å; I183-Y338 HydrophobicContact CD1-CD2 3.99Å; I183-Y338 HydrophobicContact CD1-CG 3.67Å
184S98.8Very high98.2Very high24 Ų2429.8 Ų29.817%0.16816%0.157CC..  trans-59.2136.5178.2-177.10000112.5D186 R187 R225S184-D186 PolarHBondContact O-N 3.29Å; S184-D186 PolarHBondContact OG-N 3.22Å; S184-R187 WeakPolarHBondContact O-CB 3.47Å; S184-R187 WeakPolarHBondContact O-CG 3.22Å; S184-R187 PolarHBondContact O-N 3.36Å; S184-R187 VanDerWaalsContact O-N 3.1Å; S184-R225 PolarHBondContact O-NH1 3.41Å
185L98.8Very high98.3Very high35 Ų3534.3 Ų34.318%0.18318%0.179CC..THydrogen-bonded Turntrans-61.5-28.8172.5-59.7-180000111.6I183 S221 M224 R225 H228 Y261I183-L185 PolarHBondContact O-N 3.45Å; L185-S221 WeakPolarHBondContact CD2-O 3.48Å; L185-M224 HydrophobicContact CD1-CB 3.94Å; L185-M224 HydrophobicContact CD2-CB 4.12Å; L185-R225 HydrophobicContact CD2-CB 4.1Å; L185-H228 HydrophobicContact CB-CB 4.42Å; L185-H228 VanDerWaalsContact O-CB 3.32Å; L185-H228 WeakPolarHBondContact O-CB 3.48Å; L185-Y261 WeakPolarHBondContact CD1-OH 3.46Å
186D98.6Very high98.3Very high64 Ų6437 Ų3734%0.34219%0.191SC..THydrogen-bonded Turntrans-97.620.4176.8-67.5-57.8000112.9G144 S184 S188 H228 K232G144-D186 PolarHBondContact N-O 3.16Å; S184-D186 PolarHBondContact O-N 3.29Å; S184-D186 PolarHBondContact OG-N 3.22Å; D186-S188 PolarHBondContact O-N 2.94Å; D186-H228 IonicContact OD1-CE1 3.19Å; D186-H228 IonicContact OD1-CG 2.83Å; D186-H228 IonicContact OD1-ND1 3.69Å; D186-H228 PolarHBondContact OD1-ND1 3.22Å; D186-H228 IonicContact OD2-CE1 2.73Å; D186-H228 IonicContact OD2-ND1 3.45Å; D186-H228 PolarHBondContact OD2-ND1 3.15Å; D186-K232 PolarHBondContact O-NZ 3.44Å
187R98.6Very high98.4Very high2 Ų237 Ų371%0.00819%0.191CC..  trans-54.9143.2-176.566.7150.3172.9-173.16.5112.3G150 I183 S184 R233 E305 Y338G150-R187 VanDerWaalsContact O-CD 3.22Å; G150-R187 WeakPolarHBondContact O-CD 3.28Å; G150-R187 PolarHBondContact O-NH1 2.95Å; I183-R187 HydrophobicContact CG2-CB 4.07Å; I183-R187 VanDerWaalsContact CG2-CD 3.46Å; I183-R187 HydrophobicContact CG2-CG 3.89Å; S184-R187 WeakPolarHBondContact O-CB 3.47Å; S184-R187 WeakPolarHBondContact O-CG 3.22Å; S184-R187 PolarHBondContact O-N 3.36Å; S184-R187 VanDerWaalsContact O-N 3.1Å; R187-R233 PolarHBondContact O-NH2 2.97Å; R187-E305 IonicContact CZ-OE1 3.17Å; R187-E305 IonicContact CZ-OE2 3.47Å; R187-E305 IonicContact NE-OE1 3.49Å; R187-E305 PolarHBondContact NE-OE1 2.78Å; R187-E305 IonicContact NE-OE2 3.66Å; R187-E305 PolarHBondContact NE-OE2 2.82Å; R187-E305 VanDerWaalsContact NH2-CD 3.33Å; R187-E305 IonicContact NH2-OE1 2.79Å; R187-E305 PolarHBondContact NH2-OE1 3Å; R187-E305 IonicContact NH2-OE2 2.87Å; R187-E305 PolarHBondContact NH2-OE2 2.98Å; R187-Y338 PolarHBondContact NH1-O 2.04Å; R187-Y338 PolarHBondContact NH2-O 3.26Å
188S98.4Very high98.4Very high4 Ų438.4 Ų38.43%0.02820%0.197CC..  trans-69.7152.6163.9610000110.5E141 E151 K152 A153 D186E141-S188 WeakPolarHBondContact OE1-CA 3.21Å; E151-S188 WeakPolarHBondContact OE2-CB 3.46Å; E151-S188 PolarHBondContact OE2-N 3.4Å; E151-S188 PolarHBondContact OE2-OG 2.59Å; K152-S188 WeakPolarHBondContact CA-O 3.44Å; K152-S188 WeakPolarHBondContact CG-OG 3.32Å; K152-S188 PolarHBondContact N-O 2.83Å; K152-S188 PolarHBondContact N-OG 2.85Å; A153-S188 PolarHBondContact N-O 3.17Å; D186-S188 PolarHBondContact O-N 2.94Å
189V98.5Very high98.4Very high24 Ų2439.8 Ų39.815%0.14520%0.2CC..  trans-123.1164.5-179.7-62.70000110.7I340V189-I340 HydrophobicContact CB-CD1 4.13Å; V189-I340 HydrophobicContact CG1-CD1 3.9Å
190N98.1Very high98.4Very high51 Ų5140.9 Ų40.927%0.27320%0.204SC..  trans-73.7159170.259.6-28.6000111.1A153 L192 I340A153-N190 HydrophobicContact CB-CB 4.13Å; A153-N190 WeakPolarHBondContact CB-OD1 3.16Å; N190-L192 WeakPolarHBondContact ND2-CD2 3.39Å; N190-I340 PolarHBondContact ND2-O 2.88Å; N190-I340 WeakPolarHBondContact OD1-CB 3.37Å
191D98.4Very high98.4Very high67 Ų6742.6 Ų42.636%0.35821%0.212SC..  trans-101.7111174.6-166.81000109.9R193 K198D191-R193 VanDerWaalsContact OD1-CB 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.11Å; D191-R193 WeakPolarHBondContact OD1-CG 3.45Å; D191-R193 IonicContact OD1-CZ 2.7Å; D191-R193 PolarHBondContact OD1-N 2.87Å; D191-R193 VanDerWaalsContact OD1-N 3.11Å; D191-R193 IonicContact OD1-NE 2.76Å; D191-R193 PolarHBondContact OD1-NE 3.48Å; D191-R193 IonicContact OD1-NH2 3.91Å; D191-R193 IonicContact OD2-CZ 3.81Å; D191-R193 IonicContact OD2-NE 3.24Å; D191-R193 PolarHBondContact OD2-NE 2.87Å; D191-R193 IonicContact OD2-NH2 3.35Å; D191-R193 PolarHBondContact OD2-NH2 2.95Å; D191-K198 WeakPolarHBondContact OD2-CE 3.23Å; D191-K198 IonicContact OD2-NZ 3.41Å
192L98.1Very high98.4Very high44 Ų4438.3 Ų38.323%0.2319%0.188CC..  trans-982.9178.2-64.7179.1000112.7N190 D331 I340N190-L192 WeakPolarHBondContact ND2-CD2 3.39Å; L192-D331 HydrophobicContact CD1-CB 4.04Å; L192-D331 WeakPolarHBondContact CD1-OD2 3.46Å; L192-I340 HydrophobicContact CD1-CB 4.5Å; L192-I340 HydrophobicContact CD1-CG2 3.87Å
193R98Very high98.4Very high15 Ų1537.1 Ų37.16%0.05718%0.183CC..SBendtrans-71.1150.2176.5-61.9173.4-61.8156.54.4110.1E136 D191 C197 V308 C435 R437E136-R193 IonicContact OE1-CZ 3.59Å; E136-R193 IonicContact OE1-NH2 2.77Å; E136-R193 PolarHBondContact OE1-NH2 3.4Å; E136-R193 IonicContact OE2-CZ 2.73Å; E136-R193 IonicContact OE2-NH1 2.94Å; E136-R193 PolarHBondContact OE2-NH1 3.04Å; E136-R193 IonicContact OE2-NH2 3.44Å; E136-R193 PolarHBondContact OE2-NH2 2.85Å; E136-R193 VanDerWaalsContact OE2-NH2 3.17Å; D191-R193 VanDerWaalsContact OD1-CB 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.11Å; D191-R193 WeakPolarHBondContact OD1-CG 3.45Å; D191-R193 IonicContact OD1-CZ 2.7Å; D191-R193 PolarHBondContact OD1-N 2.87Å; D191-R193 VanDerWaalsContact OD1-N 3.11Å; D191-R193 IonicContact OD1-NE 2.76Å; D191-R193 PolarHBondContact OD1-NE 3.48Å; D191-R193 IonicContact OD1-NH2 3.91Å; D191-R193 IonicContact OD2-CZ 3.81Å; D191-R193 IonicContact OD2-NE 3.24Å; D191-R193 PolarHBondContact OD2-NE 2.87Å; D191-R193 IonicContact OD2-NH2 3.35Å; D191-R193 PolarHBondContact OD2-NH2 2.95Å; R193-C197 HydrophobicContact CB-CB 4.03Å; R193-V308 PolarHBondContact NH1-O 2.77Å; R193-C435 WeakPolarHBondContact CD-O 3.43Å; R193-R437 HydrophobicContact CG-CG 4Å
194Q97.3Very high98.3Very high65 Ų6541.8 Ų41.830%0.30421%0.205SC..  trans-65.1147.2167.2-65.1-71.3-26.200109.5E196 C197 T379Q194-E196 PolarHBondContact O-N 2.87Å; Q194-C197 WeakPolarHBondContact O-CB 3.49Å; Q194-C197 PolarHBondContact O-N 2.91Å; Q194-T379 HydrophobicContact CB-CG2 3.81Å; Q194-T379 HydrophobicContact CG-CG2 4.37Å
195E97.8Very high98.3Very high96 Ų9644.2 Ų44.245%0.44922%0.216SC..G310 helixtrans-59.2-35.4-175-168.762.1-161.100112.8C197 K198 Y199E195-C197 PolarHBondContact O-N 3.41Å; E195-C197 VanDerWaalsContact O-N 3.08Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.35Å; E195-K198 WeakPolarHBondContact OE1-CD 3.3Å; E195-K198 IonicContact OE1-NZ 2.74Å; E195-K198 PolarHBondContact OE1-NZ 3.34Å; E195-K198 WeakPolarHBondContact OE2-CE 3.33Å; E195-K198 IonicContact OE2-NZ 2.65Å; E195-K198 PolarHBondContact OE2-NZ 3.05Å; E195-Y199 HydrophobicContact CG-CE2 4.15Å; E195-Y199 PolarHBondContact OE1-OH 3.14Å
196E97.9Very high98.3Very high56 Ų5643 Ų4326%0.26221%0.21SC..G310 helixtrans-55-28.7175.8-170.9-177.7-112.500112.6L127 Q194 K198 Y199 K378 T379L127-E196 HydrophobicContact CD1-CG 3.64Å; L127-E196 HydrophobicContact CD2-CG 3.68Å; L127-E196 WeakPolarHBondContact CD2-OE1 3.14Å; L127-E196 HydrophobicContact CG-CG 4.31Å; Q194-E196 PolarHBondContact O-N 2.87Å; E196-K198 PolarHBondContact O-N 2.59Å; E196-K198 VanDerWaalsContact O-N 3.16Å; E196-Y199 PolarHBondContact O-N 2.96Å; E196-Y199 VanDerWaalsContact O-N 3.11Å; E196-K378 WeakPolarHBondContact OE2-CB 3.45Å; E196-K378 PolarHBondContact OE2-N 2.02Å; E196-T379 HydrophobicContact CB-CG2 3.92Å; E196-T379 HydrophobicContact CG-CG2 4.37Å; E196-T379 WeakPolarHBondContact CG-OG1 3.5Å; E196-T379 WeakPolarHBondContact OE2-CB 3.13Å; E196-T379 WeakPolarHBondContact OE2-CG2 3.04Å; E196-T379 PolarHBondContact OE2-N 3.14Å; E196-T379 PolarHBondContact OE2-OG1 3.32Å
197C98.5Very high98.3Very high1 Ų140.4 Ų40.41%0.00720%0.196CC..G310 helixtrans-61-25.5178.1-75.60000114R193 Q194 E195 Y199 C435R193-C197 HydrophobicContact CB-CB 4.03Å; Q194-C197 WeakPolarHBondContact O-CB 3.49Å; Q194-C197 PolarHBondContact O-N 2.91Å; E195-C197 PolarHBondContact O-N 3.41Å; E195-C197 VanDerWaalsContact O-N 3.08Å; C197-Y199 PolarHBondContact O-N 3.41Å; C197-C435 WeakPolarHBondContact CA-SG 3.21Å; C197-C435 HydrophobicContact CB-CB 3.68Å; C197-C435 WeakPolarHBondContact CB-SG 3.4Å; C197-C435 WeakPolarHBondContact SG-CA 3.14Å; C197-C435 WeakPolarHBondContact SG-CB 3.15Å; C197-C435 CovalentContact SG-SG 2.05Å; C197-C435 PolarHBondContact SG-SG 3.46Å
198K98.4Very high98.3Very high42 Ų4242.1 Ų42.118%0.18321%0.206CC..G310 helixtrans-78.9-8.1-179.4-59.7179-174161.60113.2L132 G133 E136 D191 E195 E196L132-K198 HydrophobicContact CD1-CB 4.36Å; G133-K198 PolarHBondContact N-O 3.05Å; E136-K198 HydrophobicContact CG-CB 4.5Å; D191-K198 WeakPolarHBondContact OD2-CE 3.23Å; D191-K198 IonicContact OD2-NZ 3.41Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.35Å; E195-K198 WeakPolarHBondContact OE1-CD 3.3Å; E195-K198 IonicContact OE1-NZ 2.74Å; E195-K198 PolarHBondContact OE1-NZ 3.34Å; E195-K198 WeakPolarHBondContact OE2-CE 3.33Å; E195-K198 IonicContact OE2-NZ 2.65Å; E195-K198 PolarHBondContact OE2-NZ 3.05Å; E196-K198 PolarHBondContact O-N 2.59Å; E196-K198 VanDerWaalsContact O-N 3.16Å
199Y98.6Very high98.3Very high56 Ų5641.9 Ų41.922%0.2221%0.205CC..G310 helixtrans-109.48.2-174.8-53.5-41.9000113.7R128 E195 E196 C197 H201R128-Y199 PolarHBondContact N-O 3.21Å; E195-Y199 HydrophobicContact CG-CE2 4.15Å; E195-Y199 PolarHBondContact OE1-OH 3.14Å; E196-Y199 PolarHBondContact O-N 2.96Å; E196-Y199 VanDerWaalsContact O-N 3.11Å; C197-Y199 PolarHBondContact O-N 3.41Å; Y199-H201 PolarHBondContact O-CD2 3.01Å
200W98.7Very high98.3Very high22 Ų2240.8 Ų40.88%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-80130.3174.1-7496.2000111.4P125 L127 G133 Y202 T377 T379 E380P125-W200 HydrophobicContact CB-CE3 3.85Å; P125-W200 HydrophobicContact CB-CZ3 4.4Å; P125-W200 HydrophobicContact CG-CE3 3.96Å; P125-W200 HydrophobicContact CG-CZ3 4.16Å; P125-W200 WeakPolarHBondContact O-CZ3 3.31Å; L127-W200 HydrophobicContact CB-CD2 4.06Å; L127-W200 HydrophobicContact CB-CE3 3.88Å; L127-W200 HydrophobicContact CB-CH2 3.89Å; L127-W200 HydrophobicContact CB-CZ2 4.03Å; L127-W200 HydrophobicContact CB-CZ3 3.8Å; L127-W200 HydrophobicContact CD1-CD2 4.08Å; L127-W200 HydrophobicContact CD1-CG 4.19Å; L127-W200 HydrophobicContact CD1-CZ2 4.42Å; L127-W200 HydrophobicContact CD2-CZ2 4.38Å; G133-W200 VanDerWaalsContact CA-O 3.27Å; G133-W200 WeakPolarHBondContact CA-O 3.27Å; W200-Y202 HydrophobicContact CB-CD2 4.25Å; W200-Y202 HydrophobicContact CB-CE1 4.39Å; W200-Y202 HydrophobicContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CZ 3.5Å; W200-Y202 WeakPolarHBondContact CB-OH 3.43Å; W200-T377 HydrophobicContact CH2-CG2 3.99Å; W200-T377 HydrophobicContact CZ2-CG2 4.15Å; W200-T377 WeakPolarHBondContact CZ2-OG1 3.18Å; W200-T379 PolarHBondContact NE1-OG1 3Å; W200-E380 HydrophobicContact CH2-CB 4.41Å; W200-E380 HydrophobicContact CZ2-CB 4.39Å
201H98.7Very high98.4Very high36 Ų3638.3 Ų38.317%0.16719%0.185CC..EExtended strand (participates in β ladder)trans-103.7114.2172.6-69.1-102.6000108.9P125 V126 I131 L132 N134 Y199P125-H201 CarbonylContact C-O 3.51Å; P125-H201 WeakPolarHBondContact CA-O 3.38Å; P125-H201 WeakPolarHBondContact CB-O 3.42Å; V126-H201 PolarHBondContact N-O 3.13Å; V126-H201 PolarHBondContact O-N 3.19Å; I131-H201 PolarHBondContact O-NE2 3.28Å; I131-H201 VanDerWaalsContact O-NE2 3.13Å; L132-H201 PolarHBondContact O-CE1 3.26Å; L132-H201 PolarHBondContact O-NE2 2.84Å; N134-H201 VanDerWaalsContact OD1-CA 3.26Å; N134-H201 WeakPolarHBondContact OD1-CA 3.5Å; Y199-H201 PolarHBondContact O-CD2 3.01Å
202Y98.6Very high98.4Very high14 Ų1435.1 Ų35.16%0.05517%0.168CC..  trans-97.7143.8-178.7-57.6-93.2000109.8P125 N134 F135 W200 E204 A312 P313 A316P125-Y202 HydrophobicContact CB-CD1 3.52Å; P125-Y202 HydrophobicContact CB-CE1 3.8Å; P125-Y202 HydrophobicContact CB-CG 4.08Å; P125-Y202 HydrophobicContact CG-CD1 3.98Å; P125-Y202 HydrophobicContact CG-CE1 3.94Å; N134-Y202 PolarHBondContact ND2-O 3.42Å; N134-Y202 PolarHBondContact OD1-N 2.99Å; F135-Y202 HydrophobicContact CD2-CD2 4.05Å; F135-Y202 HydrophobicContact CD2-CG 4.41Å; W200-Y202 HydrophobicContact CB-CD2 4.25Å; W200-Y202 HydrophobicContact CB-CE1 4.39Å; W200-Y202 HydrophobicContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CE2 3.42Å; W200-Y202 VanDerWaalsContact CB-CZ 3.5Å; W200-Y202 WeakPolarHBondContact CB-OH 3.43Å; Y202-E204 PolarHBondContact O-N 2.76Å; Y202-A312 HydrophobicContact CD1-CB 4.26Å; Y202-A312 HydrophobicContact CD2-CB 4.02Å; Y202-A312 HydrophobicContact CE2-CB 4.4Å; Y202-A312 HydrophobicContact CG-CB 3.96Å; Y202-P313 HydrophobicContact CE1-CB 4.16Å; Y202-P313 WeakPolarHBondContact OH-CB 3.3Å; Y202-A316 HydrophobicContact CD1-CB 3.97Å; Y202-A316 HydrophobicContact CE1-CB 4.41Å
203D98Very high98.4Very high56 Ų5633 Ų3330%0.29916%0.157SC..  trans-62.4135165.1-168.6-27000108.5Y122 N205Y122-D203 HydrophobicContact CD2-CB 4.24Å; Y122-D203 HydrophobicContact CE2-CB 3.67Å; Y122-D203 WeakPolarHBondContact CE2-O 3.46Å; Y122-D203 PolarHBondContact OH-N 3.28Å; Y122-D203 PolarHBondContact OH-O 3.46Å; Y122-D203 VanDerWaalsContact OH-O 3.11Å; D203-N205 PolarHBondContact O-N 3.49Å; D203-N205 WeakPolarHBondContact OD1-CB 3.34Å; D203-N205 PolarHBondContact OD1-N 2.94Å
204E97.8Very high98.5Very high103 Ų10332.9 Ų32.948%0.48116%0.158SC..SBendtrans-77.7-4.5-180-69-168.7-145.300112.8F135 Y202 L206 K237 Y238F135-E204 HydrophobicContact CE2-CG 4Å; F135-E204 HydrophobicContact CZ-CG 4.14Å; Y202-E204 PolarHBondContact O-N 2.76Å; E204-L206 PolarHBondContact O-N 3.41Å; E204-K237 IonicContact OE2-NZ 2.72Å; E204-K237 PolarHBondContact OE2-NZ 2.76Å; E204-Y238 WeakPolarHBondContact O-CE1 3.43Å; E204-Y238 PolarHBondContact O-OH 3.44Å
205N97.9Very high98.5Very high76 Ų7629.9 Ų29.941%0.40614%0.144SC..  trans-75.447.2173.3-163.532.9000112.1F120 T121 Y122 D203F120-N205 WeakPolarHBondContact CE1-O 3.2Å; F120-N205 HydrophobicContact CZ-CB 4.41Å; F120-N205 VanDerWaalsContact CZ-CG 3.42Å; F120-N205 VanDerWaalsContact CZ-ND2 3.25Å; F120-N205 WeakPolarHBondContact CZ-ND2 3.1Å; F120-N205 WeakPolarHBondContact CZ-O 3.31Å; F120-N205 WeakPolarHBondContact CZ-OD1 3.43Å; T121-N205 PolarHBondContact O-ND2 2.84Å; Y122-N205 HydrophobicContact CD2-CB 4.36Å; Y122-N205 WeakPolarHBondContact CD2-O 3.37Å; Y122-N205 WeakPolarHBondContact CE2-O 3.37Å; D203-N205 PolarHBondContact O-N 3.49Å; D203-N205 WeakPolarHBondContact OD1-CB 3.34Å; D203-N205 PolarHBondContact OD1-N 2.94Å
206L98.6Very high98.5Very high9 Ų926.8 Ų26.85%0.04713%0.129CC..PPolyproline II helixtrans-77.5146.9177.3-67.9166.4000111Y122 F135 E204 Y238 Y311 A312 A316Y122-L206 HydrophobicContact CE2-CD2 3.73Å; Y122-L206 HydrophobicContact CE2-CG 4.18Å; Y122-L206 VanDerWaalsContact OH-CD2 3.28Å; Y122-L206 WeakPolarHBondContact OH-CD2 3.3Å; F135-L206 HydrophobicContact CE1-CD1 3.88Å; F135-L206 HydrophobicContact CE2-CD1 4.49Å; F135-L206 HydrophobicContact CZ-CD1 3.61Å; E204-L206 PolarHBondContact O-N 3.41Å; L206-Y238 HydrophobicContact CB-CD1 3.98Å; L206-Y238 HydrophobicContact CB-CE1 3.76Å; L206-Y238 HydrophobicContact CD1-CE1 4.45Å; L206-Y238 HydrophobicContact CD1-CE2 4.3Å; L206-Y311 HydrophobicContact CB-CE1 4.43Å; L206-Y311 HydrophobicContact CD1-CD1 4.25Å; L206-Y311 HydrophobicContact CD1-CE1 4.25Å; L206-A312 HydrophobicContact CD1-CB 3.82Å; L206-A316 HydrophobicContact CD2-CB 3.96Å
207L98.8Very high98.5Very high10 Ų1024.8 Ų24.85%0.05212%0.12CC..PPolyproline II helixtrans-60.7147.8168.5-63.8170.4000110.7F120 Q295 V296 Y311 V315 I318 S319F120-L207 HydrophobicContact CD1-CD2 4.3Å; F120-L207 HydrophobicContact CD2-CD2 4.12Å; F120-L207 HydrophobicContact CE1-CD2 4.3Å; F120-L207 HydrophobicContact CE2-CD2 4.14Å; F120-L207 HydrophobicContact CG-CD2 4.18Å; F120-L207 HydrophobicContact CZ-CD2 4.2Å; L207-Q295 HydrophobicContact CB-CB 4.23Å; L207-Q295 HydrophobicContact CD2-CB 4.18Å; L207-Q295 VanDerWaalsContact CD2-NE2 3.34Å; L207-V296 HydrophobicContact CB-CG2 3.76Å; L207-V296 HydrophobicContact CD1-CG2 3.67Å; L207-V296 HydrophobicContact CG-CG2 4.37Å; L207-Y311 PolarHBondContact O-OH 3.46Å; L207-V315 HydrophobicContact CB-CG1 4Å; L207-I318 HydrophobicContact CD1-CG2 4.18Å; L207-S319 PolarHBondContact N-OG 3.23Å
208T98.9Very high98.5Very high37 Ų3725.2 Ų25.223%0.22712%0.122CC..PPolyproline II helixtrans-79.3153.917159.10000111.1Y238 Q295 V296T208-Y238 CarbonylContact C-O 3.49Å; T208-Y238 WeakPolarHBondContact CA-O 3.39Å; T208-Q295 PolarHBondContact O-N 3.42Å; T208-Q295 PolarHBondContact OG1-OE1 2.74Å; T208-V296 PolarHBondContact O-N 2.96Å
209S98.9Very high98.5Very high0 Ų023.2 Ų23.20%011%0.113CC..EExtended strand (participates in β ladder)trans-131144.2-177.1-59.10000114Y238 A240 V296 I298 Y311S209-Y238 PolarHBondContact N-O 3.48Å; S209-A240 WeakPolarHBondContact O-CB 3.38Å; S209-A240 PolarHBondContact O-N 3.47Å; S209-V296 CarbonylContact C-O 3.54Å; S209-V296 WeakPolarHBondContact CA-O 3.16Å; S209-I298 WeakPolarHBondContact OG-CD1 3.46Å; S209-Y311 WeakPolarHBondContact CB-OH 3.48Å; S209-Y311 PolarHBondContact N-OH 3.26Å; S209-Y311 WeakPolarHBondContact OG-CE2 3.5Å; S209-Y311 PolarHBondContact OG-OH 2.84Å
210S98.9Very high98.5Very high0 Ų022.4 Ų22.40%011%0.11CC..EExtended strand (participates in β ladder)trans-99122.6161.8-67.20000108.6E241 G294 V296 I298S210-E241 WeakPolarHBondContact CA-O 3.38Å; S210-E241 WeakPolarHBondContact OG-CG 3.3Å; S210-E241 PolarHBondContact OG-OE1 3.34Å; S210-E241 VanDerWaalsContact OG-OE1 3.11Å; S210-G294 WeakPolarHBondContact OG-CA 3.26Å; S210-G294 PolarHBondContact OG-N 3.19Å; S210-V296 PolarHBondContact N-O 3.24Å; S210-I298 PolarHBondContact O-N 3.39Å
211V98.9Very high98.5Very high0 Ų021.6 Ų21.60%011%0.107CC..EExtended strand (participates in β ladder)trans-90.8117.2176.7-177.40000108.8I213 V230 L239 E241 I242 V243 I298 L300V211-I213 HydrophobicContact CG1-CD1 4.44Å; V211-I213 HydrophobicContact CG1-CG1 4.28Å; V211-V230 HydrophobicContact CB-CG1 4.38Å; V211-V230 HydrophobicContact CG1-CG1 4.39Å; V211-V230 HydrophobicContact CG1-CG2 4.38Å; V211-V230 HydrophobicContact CG2-CG1 3.93Å; V211-L239 HydrophobicContact CB-CD1 4.5Å; V211-L239 HydrophobicContact CG2-CD1 3.64Å; V211-E241 PolarHBondContact N-O 2.73Å; V211-I242 HydrophobicContact CB-CG1 4.39Å; V211-I242 CarbonylContact O-C 3.5Å; V211-I242 WeakPolarHBondContact O-CA 3.39Å; V211-V243 PolarHBondContact O-N 2.82Å; V211-I298 CarbonylContact C-O 3.56Å; V211-I298 VanDerWaalsContact CA-O 3.28Å; V211-I298 WeakPolarHBondContact CA-O 3.35Å; V211-I298 HydrophobicContact CG2-CB 4.26Å; V211-L300 HydrophobicContact CG1-CD1 3.72Å; V211-L300 HydrophobicContact CG1-CG 4.08Å
212V98.9Very high98.5Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-103123.6-178.8-176.70000109.5V243 I245 A291 L297 I298 Y299 L300V212-V243 WeakPolarHBondContact CA-O 3.16Å; V212-V243 HydrophobicContact CG2-CB 4.42Å; V212-I245 HydrophobicContact CG1-CG1 4.17Å; V212-A291 HydrophobicContact CG2-CB 3.89Å; V212-L297 HydrophobicContact CG2-CD2 4.26Å; V212-I298 PolarHBondContact N-O 3.03Å; V212-Y299 HydrophobicContact CB-CD1 3.92Å; V212-Y299 HydrophobicContact CB-CE1 3.78Å; V212-Y299 HydrophobicContact CG1-CD1 4.04Å; V212-Y299 HydrophobicContact CG1-CE1 3.63Å; V212-Y299 HydrophobicContact CG2-CE1 4.43Å; V212-Y299 WeakPolarHBondContact O-CA 3.21Å; V212-L300 PolarHBondContact O-N 3.27Å; V212-L300 VanDerWaalsContact O-N 3.09Å
213I98.9Very high98.5Very high0 Ų019.3 Ų19.30%010%0.097CC..EExtended strand (participates in β ladder)trans-122.3109.8178.9-60.7165.9000108.3V211 L223 T226 V227 I242 V243 L244 I245 L300 A302V211-I213 HydrophobicContact CG1-CD1 4.44Å; V211-I213 HydrophobicContact CG1-CG1 4.28Å; I213-L223 HydrophobicContact CG2-CD1 4.19Å; I213-T226 HydrophobicContact CD1-CG2 3.92Å; I213-V227 HydrophobicContact CD1-CG2 4.26Å; I213-I242 HydrophobicContact CD1-CG2 4.03Å; I213-V243 PolarHBondContact N-O 3.34Å; I213-L244 HydrophobicContact CB-CD2 3.8Å; I213-L244 HydrophobicContact CD1-CD2 3.93Å; I213-L244 HydrophobicContact CG1-CD2 4.36Å; I213-L244 HydrophobicContact CG2-CD2 4.34Å; I213-L244 CarbonylContact O-C 3.54Å; I213-L244 WeakPolarHBondContact O-CA 3.3Å; I213-I245 PolarHBondContact O-N 3.17Å; I213-L300 WeakPolarHBondContact CA-O 3.49Å; I213-L300 HydrophobicContact CG1-CB 4.12Å; I213-A302 HydrophobicContact CG2-CB 3.72Å
214V98.8Very high98.5Very high11 Ų1116.6 Ų16.67%0.0678%0.083CC..EExtended strand (participates in β ladder)trans-86135172.5177.20000108.7I245 D247 L280 A283 R284V214-I245 HydrophobicContact CG2-CB 4.14Å; V214-D247 HydrophobicContact CG1-CB 4.35Å; V214-L280 HydrophobicContact CB-CD1 4.16Å; V214-L280 HydrophobicContact CG1-CD1 4.01Å; V214-A283 HydrophobicContact CG1-CB 3.56Å; V214-A283 HydrophobicContact CG2-CB 4.09Å; V214-R284 HydrophobicContact CG2-CB 4.39Å; V214-R284 HydrophobicContact CG2-CG 3.65Å
215F98.6Very high98.6Very high3 Ų311.9 Ų11.91%0.0136%0.061CC..EExtended strand (participates in β ladder)trans-140150.6177.372.6-86.7000112.1E218 L223 L244 I245 D246 D247 L254 L258 V271 A302F215-E218 HydrophobicContact CB-CB 4.1Å; F215-L223 HydrophobicContact CB-CD1 4.11Å; F215-L223 HydrophobicContact CD1-CD1 4.28Å; F215-L223 HydrophobicContact CD1-CD2 4.49Å; F215-L223 HydrophobicContact CD2-CD2 4.19Å; F215-L223 HydrophobicContact CE2-CD2 4.36Å; F215-L223 HydrophobicContact CG-CD1 4.19Å; F215-L223 HydrophobicContact CG-CD2 4.25Å; F215-L244 HydrophobicContact CD1-CB 4.31Å; F215-L244 HydrophobicContact CE1-CB 3.86Å; F215-I245 WeakPolarHBondContact CD1-O 3.47Å; F215-I245 PolarHBondContact N-O 2.98Å; F215-D246 HydrophobicContact CE1-CB 3.82Å; F215-D246 HydrophobicContact CE2-CB 3.83Å; F215-D246 HydrophobicContact CZ-CB 3.35Å; F215-D247 PolarHBondContact O-N 3.12Å; F215-L254 HydrophobicContact CD2-CD1 4.01Å; F215-L254 HydrophobicContact CD2-CD2 4.26Å; F215-L254 HydrophobicContact CE2-CB 4.04Å; F215-L254 HydrophobicContact CE2-CD1 3.93Å; F215-L254 HydrophobicContact CE2-CD2 3.96Å; F215-L254 HydrophobicContact CE2-CG 4.18Å; F215-L258 HydrophobicContact CE1-CD2 4.37Å; F215-L258 HydrophobicContact CE2-CD2 4.33Å; F215-L258 HydrophobicContact CZ-CD2 3.67Å; F215-V271 HydrophobicContact CE1-CG2 4.22Å; F215-V271 HydrophobicContact CZ-CG2 4.24Å; F215-A302 HydrophobicContact CB-CB 3.66Å
216H97.6Very high98.6Very high30 Ų308.3 Ų8.314%0.1394%0.042CC..SBendtrans-147.2115171.9178.284.9000109.2E218 D247 F248 S249H216-E218 PolarHBondContact O-N 3.27Å; H216-E218 VanDerWaalsContact O-N 3.14Å; H216-D247 HydrophobicContact CB-CB 4.42Å; H216-D247 PolarHBondContact ND1-O 3.32Å; H216-F248 PolarHBondContact CE1-O 2.87Å; H216-F248 PolarHBondContact ND1-O 3.38Å; H216-S249 WeakPolarHBondContact CA-OG 3.43Å
217N97.3Very high98.6Very high15 Ų157.9 Ų7.98%0.084%0.04CC..SBendtrans53.330.2-178.2-65.8-18.4000114.2S249 N250 K251N217-S249 PolarHBondContact N-OG 2.77Å; N217-S249 VanDerWaalsContact OD1-CA 3.3Å; N217-S249 WeakPolarHBondContact OD1-CA 3.29Å; N217-S249 WeakPolarHBondContact OD1-CB 3.37Å; N217-N250 PolarHBondContact ND2-ND2 3.36Å; N217-N250 PolarHBondContact ND2-OD1 3.12Å; N217-N250 PolarHBondContact OD1-N 3.3Å; N217-N250 PolarHBondContact OD1-OD1 3.5Å; N217-N250 VanDerWaalsContact OD1-OD1 3.06Å; N217-K251 HydrophobicContact CB-CG 3.91Å; N217-K251 PolarHBondContact OD1-N 3.01Å
218E98.3Very high98.7Very high9 Ų98 Ų84%0.0424%0.04CC..  trans-67.1146.4179.7-167.461-111.900111.5F175 F215 H216 T222 L223 H253 A302 H303F175-E218 WeakPolarHBondContact CE2-OE1 3.49Å; F215-E218 HydrophobicContact CB-CB 4.1Å; H216-E218 PolarHBondContact O-N 3.27Å; H216-E218 VanDerWaalsContact O-N 3.14Å; E218-T222 PolarHBondContact OE1-OG1 2.81Å; E218-L223 HydrophobicContact CB-CB 4.32Å; E218-L223 HydrophobicContact CG-CB 3.87Å; E218-H253 PolarHBondContact O-CE1 2.86Å; E218-A302 HydrophobicContact CB-CB 4.33Å; E218-A302 HydrophobicContact CG-CB 3.73Å; E218-H303 VanDerWaalsContact CD-ND1 3.29Å; E218-H303 IonicContact OE1-ND1 2.93Å; E218-H303 PolarHBondContact OE1-ND1 3.26Å; E218-H303 IonicContact OE2-CE1 2.71Å; E218-H303 PolarHBondContact OE2-CE1 3.38Å; E218-H303 IonicContact OE2-CG 2.82Å; E218-H303 IonicContact OE2-ND1 2.7Å; E218-H303 PolarHBondContact OE2-ND1 3.44Å
219G98Very high98.7Very high0 Ų06.4 Ų6.40%03%0.03CC..  trans-60.1142.4173.500000112.2M177 S221 T222 L223M177-G219 VanDerWaalsContact CE-CA 3.5Å; G219-S221 PolarHBondContact O-N 2.86Å; G219-T222 PolarHBondContact O-N 2.6Å; G219-T222 PolarHBondContact O-OG1 2.87Å; G219-L223 WeakPolarHBondContact O-CB 3.41Å; G219-L223 PolarHBondContact O-N 3.19Å
220W98.8Very high98.7Very high40 Ų406.4 Ų6.415%0.1523%0.03CC..Hα-helixtrans-57.1-52-177.7174.2-89.3000112.4T222 M224 H253 K257 L258 Y261W220-T222 PolarHBondContact O-N 3.11Å; W220-M224 HydrophobicContact CD2-CG 4.16Å; W220-M224 HydrophobicContact CZ2-CG 3.99Å; W220-M224 HydrophobicContact CZ2-SD 4.45Å; W220-M224 WeakPolarHBondContact O-CB 3.23Å; W220-M224 WeakPolarHBondContact O-CG 3.43Å; W220-M224 PolarHBondContact O-N 2.75Å; W220-H253 HydrophobicContact CE3-CB 4.21Å; W220-H253 VanDerWaalsContact CE3-O 3.31Å; W220-H253 WeakPolarHBondContact CZ3-O 3.43Å; W220-K257 HydrophobicContact CE3-CD 4.15Å; W220-K257 HydrophobicContact CH2-CD 4.1Å; W220-K257 HydrophobicContact CH2-CG 3.78Å; W220-K257 HydrophobicContact CZ3-CB 4.34Å; W220-K257 HydrophobicContact CZ3-CD 3.87Å; W220-K257 HydrophobicContact CZ3-CG 3.76Å; W220-L258 HydrophobicContact CZ3-CB 4.21Å; W220-L258 HydrophobicContact CZ3-CD1 4.36Å; W220-Y261 HydrophobicContact CH2-CD1 4.17Å; W220-Y261 HydrophobicContact CH2-CD2 4.32Å; W220-Y261 AromaticContact CH2-CG 3.79Å; W220-Y261 HydrophobicContact CH2-CG 3.79Å; W220-Y261 AromaticContact CZ2-CD1 3.96Å; W220-Y261 HydrophobicContact CZ2-CD1 3.96Å; W220-Y261 AromaticContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CE1 4.37Å; W220-Y261 HydrophobicContact CZ2-CE2 4.29Å; W220-Y261 AromaticContact CZ2-CG 3.67Å; W220-Y261 HydrophobicContact CZ2-CG 3.67Å
221S98.8Very high98.6Very high4 Ų48.3 Ų8.33%0.0284%0.04CC..Hα-helixtrans-69.6-33.4-174.855.70000112.7M177 S180 D181 L185 G219 R225M177-S221 WeakPolarHBondContact CE-OG 3.39Å; S180-S221 VanDerWaalsContact CB-OG 3.26Å; S180-S221 WeakPolarHBondContact CB-OG 3.18Å; S180-S221 PolarHBondContact OG-OG 2.81Å; D181-S221 WeakPolarHBondContact OD1-CB 3.42Å; D181-S221 PolarHBondContact OD1-OG 3.39Å; L185-S221 WeakPolarHBondContact CD2-O 3.48Å; G219-S221 PolarHBondContact O-N 2.86Å; S221-R225 WeakPolarHBondContact O-CB 3.38Å; S221-R225 PolarHBondContact O-N 3.04Å
222T98.8Very high98.6Very high2 Ų211.5 Ų11.51%0.0125%0.054CC..Hα-helixtrans-70.6-46175.852.80000111.8F175 M177 E218 G219 W220 R225 T226 A302 I441F175-T222 HydrophobicContact CD2-CG2 4.44Å; M177-T222 HydrophobicContact CE-CG2 4.45Å; M177-T222 HydrophobicContact SD-CG2 4.06Å; E218-T222 PolarHBondContact OE1-OG1 2.81Å; G219-T222 PolarHBondContact O-N 2.6Å; G219-T222 PolarHBondContact O-OG1 2.87Å; W220-T222 PolarHBondContact O-N 3.11Å; T222-R225 PolarHBondContact O-N 3.41Å; T222-T226 PolarHBondContact O-N 2.94Å; T222-T226 VanDerWaalsContact O-N 3.07Å; T222-T226 PolarHBondContact O-OG1 3.18Å; T222-A302 CarbonylContact C-O 3.4Å; T222-I441 HydrophobicContact CG2-CD1 3.58Å
223L98.9Very high98.6Very high0 Ų012.4 Ų12.40%06%0.057CC..Hα-helixtrans-58.7-51175.2179.464000111.5I213 F215 E218 G219 T226 V227 L254 L258 A302I213-L223 HydrophobicContact CG2-CD1 4.19Å; F215-L223 HydrophobicContact CB-CD1 4.11Å; F215-L223 HydrophobicContact CD1-CD1 4.28Å; F215-L223 HydrophobicContact CD1-CD2 4.49Å; F215-L223 HydrophobicContact CD2-CD2 4.19Å; F215-L223 HydrophobicContact CE2-CD2 4.36Å; F215-L223 HydrophobicContact CG-CD1 4.19Å; F215-L223 HydrophobicContact CG-CD2 4.25Å; E218-L223 HydrophobicContact CB-CB 4.32Å; E218-L223 HydrophobicContact CG-CB 3.87Å; G219-L223 WeakPolarHBondContact O-CB 3.41Å; G219-L223 PolarHBondContact O-N 3.19Å; L223-T226 WeakPolarHBondContact O-CB 3.45Å; L223-T226 PolarHBondContact O-N 3.31Å; L223-V227 PolarHBondContact O-N 3.44Å; L223-L254 HydrophobicContact CD2-CD2 3.66Å; L223-L258 HydrophobicContact CD2-CD1 4.5Å; L223-L258 HydrophobicContact CD2-CD2 4.42Å; L223-A302 VanDerWaalsContact CA-O 3.22Å; L223-A302 WeakPolarHBondContact CA-O 3.43Å; L223-A302 HydrophobicContact CD1-CB 3.79Å; L223-A302 PolarHBondContact N-O 3.23Å
224M98.8Very high98.6Very high0 Ų012.7 Ų12.70%06%0.059CC..Hα-helixtrans-69.5-36.9-177.8-66.6-62.895.900112.4L185 W220 T226 V227 H228 L244 L258 Y261L185-M224 HydrophobicContact CD1-CB 3.94Å; L185-M224 HydrophobicContact CD2-CB 4.12Å; W220-M224 HydrophobicContact CD2-CG 4.16Å; W220-M224 HydrophobicContact CZ2-CG 3.99Å; W220-M224 HydrophobicContact CZ2-SD 4.45Å; W220-M224 WeakPolarHBondContact O-CB 3.23Å; W220-M224 WeakPolarHBondContact O-CG 3.43Å; W220-M224 PolarHBondContact O-N 2.75Å; M224-T226 PolarHBondContact O-N 2.9Å; M224-V227 HydrophobicContact CE-CG2 4.14Å; M224-V227 PolarHBondContact O-N 2.93Å; M224-V227 VanDerWaalsContact O-N 3.15Å; M224-H228 WeakPolarHBondContact O-CB 3.43Å; M224-H228 PolarHBondContact O-CD2 3.21Å; M224-H228 PolarHBondContact O-N 3.09Å; M224-L244 HydrophobicContact CE-CD1 4.48Å; M224-L258 HydrophobicContact CE-CD1 3.42Å; M224-L258 VanDerWaalsContact CE-CD1 3.42Å; M224-L258 HydrophobicContact SD-CD1 4.07Å; M224-Y261 HydrophobicContact CB-CE1 4.47Å; M224-Y261 HydrophobicContact CG-CD1 4.3Å; M224-Y261 HydrophobicContact CG-CE1 4.02Å; M224-Y261 HydrophobicContact SD-CD1 3.39Å; M224-Y261 WeakPolarHBondContact SD-CD1 3.29Å; M224-Y261 HydrophobicContact SD-CE1 3.47Å; M224-Y261 WeakPolarHBondContact SD-CE1 3.49Å
225R98.9Very high98.6Very high3 Ų314.3 Ų14.31%0.0117%0.07CC..Hα-helixtrans-63.4-33.8175.4-165-173.6-34.1-78.7-1.5111.8S180 I183 S184 L185 S221 T222 S229 E305S180-R225 PolarHBondContact O-NH2 3.1Å; S180-R225 PolarHBondContact OG-NH2 3.49Å; I183-R225 VanDerWaalsContact C-NH1 3.31Å; I183-R225 PolarHBondContact O-NH1 3.32Å; S184-R225 PolarHBondContact O-NH1 3.41Å; L185-R225 HydrophobicContact CD2-CB 4.1Å; S221-R225 WeakPolarHBondContact O-CB 3.38Å; S221-R225 PolarHBondContact O-N 3.04Å; T222-R225 PolarHBondContact O-N 3.41Å; R225-S229 VanDerWaalsContact O-CB 3.29Å; R225-S229 WeakPolarHBondContact O-CB 3.24Å; R225-S229 PolarHBondContact O-N 3.2Å; R225-S229 PolarHBondContact O-OG 3.33Å; R225-E305 VanDerWaalsContact CD-CD 3.41Å; R225-E305 VanDerWaalsContact CD-OE1 3.24Å; R225-E305 WeakPolarHBondContact CD-OE1 3.46Å; R225-E305 HydrophobicContact CG-CG 4.16Å
226T98.9Very high98.6Very high1 Ų125.2 Ų25.21%0.00611%0.111CC..Hα-helixtrans-59.5-52.9170.7-52.10000111I213 T222 L223 M224 H228 S229 V230 A302 H303 C304I213-T226 HydrophobicContact CD1-CG2 3.92Å; T222-T226 PolarHBondContact O-N 2.94Å; T222-T226 VanDerWaalsContact O-N 3.07Å; T222-T226 PolarHBondContact O-OG1 3.18Å; L223-T226 WeakPolarHBondContact O-CB 3.45Å; L223-T226 PolarHBondContact O-N 3.31Å; M224-T226 PolarHBondContact O-N 2.9Å; T226-H228 PolarHBondContact O-N 3.42Å; T226-S229 PolarHBondContact O-N 3.13Å; T226-S229 PolarHBondContact O-OG 2.63Å; T226-V230 WeakPolarHBondContact O-CG2 3.34Å; T226-V230 PolarHBondContact O-N 3.17Å; T226-A302 VanDerWaalsContact OG1-C 3.3Å; T226-A302 PolarHBondContact OG1-O 3.44Å; T226-H303 PolarHBondContact OG1-N 3.07Å; T226-C304 WeakPolarHBondContact CA-O 3.45Å; T226-C304 WeakPolarHBondContact CB-O 3.21Å; T226-C304 HydrophobicContact CG2-CB 4.02Å; T226-C304 PolarHBondContact OG1-N 3.43Å; T226-C304 PolarHBondContact OG1-O 3.37Å
227V98.9Very high98.6Very high0 Ų029.7 Ų29.70%013%0.13CC..Hα-helixtrans-58.6-48.8178.2176.30000111.7I213 L223 M224 S229 V230 I231 I242 L244 W265 V269I213-V227 HydrophobicContact CD1-CG2 4.26Å; L223-V227 PolarHBondContact O-N 3.44Å; M224-V227 HydrophobicContact CE-CG2 4.14Å; M224-V227 PolarHBondContact O-N 2.93Å; M224-V227 VanDerWaalsContact O-N 3.15Å; V227-S229 PolarHBondContact O-N 3.38Å; V227-V230 PolarHBondContact O-N 2.82Å; V227-I231 HydrophobicContact CG1-CD1 3.85Å; V227-I231 WeakPolarHBondContact O-CG1 3.27Å; V227-I231 PolarHBondContact O-N 3.48Å; V227-I231 VanDerWaalsContact O-N 3.12Å; V227-I242 HydrophobicContact CG1-CD1 4.25Å; V227-L244 HydrophobicContact CG2-CD1 4.36Å; V227-L244 HydrophobicContact CG2-CD2 3.89Å; V227-W265 HydrophobicContact CG1-CE3 4.4Å; V227-W265 HydrophobicContact CG1-CH2 3.71Å; V227-W265 HydrophobicContact CG1-CZ2 4.18Å; V227-W265 HydrophobicContact CG1-CZ3 3.85Å; V227-V269 HydrophobicContact CG1-CG1 4.33Å; V227-V269 HydrophobicContact CG1-CG2 3.95Å
228H98.9Very high98.7Very high12 Ų1229.3 Ų29.36%0.05613%0.128CC..Hα-helixtrans-58.4-45.4177.4-85.8-110000111.8L185 D186 M224 T226 V230 I231 K232 Y261 W265L185-H228 HydrophobicContact CB-CB 4.42Å; L185-H228 VanDerWaalsContact O-CB 3.32Å; L185-H228 WeakPolarHBondContact O-CB 3.48Å; D186-H228 IonicContact OD1-CE1 3.19Å; D186-H228 IonicContact OD1-CG 2.83Å; D186-H228 IonicContact OD1-ND1 3.69Å; D186-H228 PolarHBondContact OD1-ND1 3.22Å; D186-H228 IonicContact OD2-CE1 2.73Å; D186-H228 IonicContact OD2-ND1 3.45Å; D186-H228 PolarHBondContact OD2-ND1 3.15Å; M224-H228 WeakPolarHBondContact O-CB 3.43Å; M224-H228 PolarHBondContact O-CD2 3.21Å; M224-H228 PolarHBondContact O-N 3.09Å; T226-H228 PolarHBondContact O-N 3.42Å; H228-V230 VanDerWaalsContact C-N 3.32Å; H228-V230 PolarHBondContact O-N 2.77Å; H228-I231 PolarHBondContact O-N 3.37Å; H228-K232 WeakPolarHBondContact O-CB 3.12Å; H228-K232 PolarHBondContact O-N 2.8Å; H228-Y261 AromaticContact NE2-CE1 3.96Å; H228-Y261 AromaticContact NE2-CZ 3.91Å; H228-Y261 PolarHBondContact NE2-OH 3.4Å; H228-W265 AromaticContact CD2-CH2 3.69Å; H228-W265 AromaticContact CD2-CZ2 3.52Å; H228-W265 AromaticContact CE1-CZ2 3.93Å; H228-W265 AromaticContact NE2-CH2 3.6Å; H228-W265 AromaticContact NE2-CZ2 3.35Å; H228-W265 WeakPolarHBondContact NE2-CZ2 3.37Å
229S98.9Very high98.7Very high4 Ų429.6 Ų29.63%0.02813%0.129CC..Hα-helixtrans-59.4-42.8-179.677.30000112.1R225 T226 V227 K232 R233 V306R225-S229 VanDerWaalsContact O-CB 3.29Å; R225-S229 WeakPolarHBondContact O-CB 3.24Å; R225-S229 PolarHBondContact O-N 3.2Å; R225-S229 PolarHBondContact O-OG 3.33Å; T226-S229 PolarHBondContact O-N 3.13Å; T226-S229 PolarHBondContact O-OG 2.63Å; V227-S229 PolarHBondContact O-N 3.38Å; S229-K232 PolarHBondContact O-N 2.89Å; S229-R233 WeakPolarHBondContact O-CB 3.49Å; S229-R233 PolarHBondContact O-N 2.74Å; S229-V306 VanDerWaalsContact O-CG2 3.29Å; S229-V306 WeakPolarHBondContact O-CG2 3.49Å; S229-V306 PolarHBondContact OG-N 2.79Å
230V98.9Very high98.8Very high0 Ų031 Ų310%014%0.141CC..Hα-helixtrans-62.7-47.9177.8172.70000110.5V211 T226 V227 H228 T234 L239 I242 L300 V306V211-V230 HydrophobicContact CB-CG1 4.38Å; V211-V230 HydrophobicContact CG1-CG1 4.39Å; V211-V230 HydrophobicContact CG1-CG2 4.38Å; V211-V230 HydrophobicContact CG2-CG1 3.93Å; T226-V230 WeakPolarHBondContact O-CG2 3.34Å; T226-V230 PolarHBondContact O-N 3.17Å; V227-V230 PolarHBondContact O-N 2.82Å; H228-V230 VanDerWaalsContact C-N 3.32Å; H228-V230 PolarHBondContact O-N 2.77Å; V230-T234 WeakPolarHBondContact O-CB 3.18Å; V230-T234 PolarHBondContact O-N 3.11Å; V230-T234 VanDerWaalsContact O-N 3.09Å; V230-T234 PolarHBondContact O-OG1 3.32Å; V230-L239 HydrophobicContact CG1-CD1 3.99Å; V230-L239 HydrophobicContact CG1-CD2 4.16Å; V230-I242 HydrophobicContact CB-CD1 4.05Å; V230-I242 HydrophobicContact CG1-CD1 3.66Å; V230-I242 HydrophobicContact CG1-CG1 4.2Å; V230-L300 HydrophobicContact CG2-CD1 3.49Å; V230-L300 VanDerWaalsContact CG2-CD1 3.49Å; V230-V306 HydrophobicContact CG2-CG1 4.04Å
231I98.8Very high98.8Very high41 Ų4129.3 Ų29.321%0.2114%0.135CC..Hα-helixtrans-65.7-40.7-179.5-65174000111V227 H228 L239 I242 W265 L268 V269V227-I231 HydrophobicContact CG1-CD1 3.85Å; V227-I231 WeakPolarHBondContact O-CG1 3.27Å; V227-I231 PolarHBondContact O-N 3.48Å; V227-I231 VanDerWaalsContact O-N 3.12Å; H228-I231 PolarHBondContact O-N 3.37Å; I231-L239 HydrophobicContact CG1-CD2 4.37Å; I231-I242 HydrophobicContact CD1-CD1 3.97Å; I231-I242 HydrophobicContact CG1-CD1 3.5Å; I231-W265 HydrophobicContact CD1-CD2 3.64Å; I231-W265 HydrophobicContact CD1-CE3 4.42Å; I231-W265 HydrophobicContact CD1-CG 3.68Å; I231-W265 HydrophobicContact CD1-CZ2 3.95Å; I231-W265 VanDerWaalsContact CD1-NE1 3.34Å; I231-L268 HydrophobicContact CD1-CD2 4.45Å; I231-L268 HydrophobicContact CG1-CD2 4.37Å; I231-V269 HydrophobicContact CD1-CG2 3.84Å
232K98.7Very high98.8Very high66 Ų6629.1 Ų29.129%0.28713%0.134SC..Hα-helixtrans-68.5-37-177-168-179.5-172.8-163.50112.3E141 P142 D186 H228 S229E141-K232 WeakPolarHBondContact OE1-CE 3.26Å; E141-K232 IonicContact OE1-NZ 3.62Å; E141-K232 PolarHBondContact OE1-NZ 3.14Å; P142-K232 PolarHBondContact O-NZ 2.8Å; D186-K232 PolarHBondContact O-NZ 3.44Å; H228-K232 WeakPolarHBondContact O-CB 3.12Å; H228-K232 PolarHBondContact O-N 2.8Å; S229-K232 PolarHBondContact O-N 2.89Å
233R98.8Very high98.8Very high20 Ų2029 Ų298%0.07513%0.133CC..Hα-helixtrans-113.44.3-168.3-61.3-178.6-174.2111.312.9115.3E141 R187 S229 V306E141-R233 IonicContact OE1-CZ 3.04Å; E141-R233 IonicContact OE1-NE 3.23Å; E141-R233 IonicContact OE1-NH2 2.7Å; E141-R233 PolarHBondContact OE1-NH2 3.16Å; E141-R233 WeakPolarHBondContact OE2-CG 3.49Å; E141-R233 IonicContact OE2-CZ 3.77Å; E141-R233 IonicContact OE2-NE 3.54Å; E141-R233 PolarHBondContact OE2-NE 2.95Å; E141-R233 IonicContact OE2-NH2 2.89Å; R187-R233 PolarHBondContact O-NH2 2.97Å; S229-R233 WeakPolarHBondContact O-CB 3.49Å; S229-R233 PolarHBondContact O-N 2.74Å; R233-V306 HydrophobicContact CB-CG2 4.09Å; R233-V306 WeakPolarHBondContact CD-O 3.2Å; R233-V306 PolarHBondContact NH1-O 3.33Å
234T98.8Very high98.8Very high6 Ų629 Ų294%0.03713%0.133CC..SBendtrans-105.6128.4174.7-51.10000110V230 R236 L239 W310 Y311V230-T234 WeakPolarHBondContact O-CB 3.18Å; V230-T234 PolarHBondContact O-N 3.11Å; V230-T234 VanDerWaalsContact O-N 3.09Å; V230-T234 PolarHBondContact O-OG1 3.32Å; T234-R236 PolarHBondContact O-N 3.03Å; T234-L239 HydrophobicContact CG2-CB 3.96Å; T234-L239 HydrophobicContact CG2-CD1 4.46Å; T234-W310 PolarHBondContact OG1-NE1 2.62Å; T234-Y311 HydrophobicContact CG2-CD2 3.67Å; T234-Y311 HydrophobicContact CG2-CE2 4.21Å; T234-Y311 HydrophobicContact CG2-CG 3.97Å
235P98.6Very high98.8Very high45 Ų4529 Ų2929%0.29213%0.133SC..  trans-62126.7176.6-15.826.5000110.9F135 K237 Y238F135-P235 HydrophobicContact CD1-CG 4.15Å; F135-P235 HydrophobicContact CE1-CG 4.19Å; P235-K237 PolarHBondContact O-N 2.89Å; P235-Y238 HydrophobicContact CB-CD2 3.68Å; P235-Y238 HydrophobicContact CB-CE2 3.87Å; P235-Y238 HydrophobicContact CG-CD2 3.96Å; P235-Y238 HydrophobicContact CG-CE2 4.12Å; P235-Y238 PolarHBondContact O-N 2.99Å
236R98.4Very high98.8Very high232 Ų23229 Ų2988%0.87513%0.133SC*.G310 helixtrans-52.5-36.9-167.3-62-178.6-175.1-178.50.6114.6T234 Y238 L239T234-R236 PolarHBondContact O-N 3.03Å; R236-Y238 PolarHBondContact O-N 3.46Å; R236-L239 PolarHBondContact O-N 2.87Å
237K98.4Very high98.7Very high124 Ų12429.1 Ų29.154%0.53913%0.133SC..G310 helixtrans-63.9-20.7-179.157.3167163.2162.70114.3E204 P235E204-K237 IonicContact OE2-NZ 2.72Å; E204-K237 PolarHBondContact OE2-NZ 2.76Å; P235-K237 PolarHBondContact O-N 2.89Å
238Y98.8Very high98.7Very high7 Ų734.4 Ų34.43%0.02716%0.157CC..G310 helixtrans-101.7-16.7-179.1-49.1-65.9000113.6F135 E204 L206 T208 S209 P235 R236 A240 Y311F135-Y238 AromaticContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CE1-CE2 3.61Å; F135-Y238 HydrophobicContact CZ-CE2 4.02Å; E204-Y238 WeakPolarHBondContact O-CE1 3.43Å; E204-Y238 PolarHBondContact O-OH 3.44Å; L206-Y238 HydrophobicContact CB-CD1 3.98Å; L206-Y238 HydrophobicContact CB-CE1 3.76Å; L206-Y238 HydrophobicContact CD1-CE1 4.45Å; L206-Y238 HydrophobicContact CD1-CE2 4.3Å; T208-Y238 CarbonylContact C-O 3.49Å; T208-Y238 WeakPolarHBondContact CA-O 3.39Å; S209-Y238 PolarHBondContact N-O 3.48Å; P235-Y238 HydrophobicContact CB-CD2 3.68Å; P235-Y238 HydrophobicContact CB-CE2 3.87Å; P235-Y238 HydrophobicContact CG-CD2 3.96Å; P235-Y238 HydrophobicContact CG-CE2 4.12Å; P235-Y238 PolarHBondContact O-N 2.99Å; R236-Y238 PolarHBondContact O-N 3.46Å; Y238-A240 PolarHBondContact O-N 3Å; Y238-Y311 VanDerWaalsContact CB-CZ 3.47Å; Y238-Y311 HydrophobicContact CD1-CE1 4.38Å; Y238-Y311 HydrophobicContact CD2-CD1 4.17Å; Y238-Y311 HydrophobicContact CD2-CE1 4.02Å; Y238-Y311 HydrophobicContact CG-CD1 4.31Å; Y238-Y311 AromaticContact CG-CE1 3.69Å; Y238-Y311 HydrophobicContact CG-CE1 3.69Å; Y238-Y311 PolarHBondContact O-OH 3.04Å
239L98.9Very high98.6Very high14 Ų1434.2 Ų34.27%0.07316%0.157CC..EExtended strand (participates in β ladder)trans-87.295.5178.9-173.763.1000109.6V211 V230 I231 T234 R236 I242 L268V211-L239 HydrophobicContact CB-CD1 4.5Å; V211-L239 HydrophobicContact CG2-CD1 3.64Å; V230-L239 HydrophobicContact CG1-CD1 3.99Å; V230-L239 HydrophobicContact CG1-CD2 4.16Å; I231-L239 HydrophobicContact CG1-CD2 4.37Å; T234-L239 HydrophobicContact CG2-CB 3.96Å; T234-L239 HydrophobicContact CG2-CD1 4.46Å; R236-L239 PolarHBondContact O-N 2.87Å; L239-I242 HydrophobicContact CD1-CG1 4.12Å; L239-I242 HydrophobicContact CD2-CD1 4.19Å; L239-I242 HydrophobicContact CD2-CG1 4.26Å; L239-I242 HydrophobicContact CG-CG1 4.48Å; L239-L268 HydrophobicContact CD2-CD2 4.24Å
240A98.8Very high98.4Very high31 Ų3139.5 Ų39.526%0.25619%0.185SC..EExtended strand (participates in β ladder)trans-72.9-43.1-176.400000112.1S209 Y238 L293S209-A240 WeakPolarHBondContact O-CB 3.38Å; S209-A240 PolarHBondContact O-N 3.47Å; Y238-A240 PolarHBondContact O-N 3Å; A240-L293 HydrophobicContact CB-CB 3.97Å
241E98.8Very high98.3Very high4 Ų441.9 Ų41.92%0.01920%0.195CC..EExtended strand (participates in β ladder)trans-165159.4175.453.4-173.716300111.2S210 V211 V243 L268 K270 K292 L293S210-E241 WeakPolarHBondContact CA-O 3.38Å; S210-E241 WeakPolarHBondContact OG-CG 3.3Å; S210-E241 PolarHBondContact OG-OE1 3.34Å; S210-E241 VanDerWaalsContact OG-OE1 3.11Å; V211-E241 PolarHBondContact N-O 2.73Å; E241-V243 HydrophobicContact CB-CG2 4.48Å; E241-V243 HydrophobicContact CG-CG2 3.86Å; E241-L268 WeakPolarHBondContact CA-O 3.16Å; E241-K270 IonicContact OE2-NZ 3.15Å; E241-K270 PolarHBondContact OE2-NZ 2.91Å; E241-K292 PolarHBondContact OE1-N 3.02Å; E241-L293 HydrophobicContact CB-CD1 4.28Å; E241-L293 HydrophobicContact CG-CB 4.09Å; E241-L293 HydrophobicContact CG-CD1 4.29Å; E241-L293 HydrophobicContact CG-CG 4.38Å; E241-L293 WeakPolarHBondContact OE1-CB 3.26Å; E241-L293 WeakPolarHBondContact OE1-CG 3.34Å; E241-L293 PolarHBondContact OE1-N 2.81Å
242I98.9Very high98.3Very high0 Ų047.8 Ų47.80%022%0.222CC..EExtended strand (participates in β ladder)trans-111.7120.8164.6-57.8179.9000107.7V211 I213 V227 V230 I231 L239 L244 L268 V269 K270V211-I242 HydrophobicContact CB-CG1 4.39Å; V211-I242 CarbonylContact O-C 3.5Å; V211-I242 WeakPolarHBondContact O-CA 3.39Å; I213-I242 HydrophobicContact CD1-CG2 4.03Å; V227-I242 HydrophobicContact CG1-CD1 4.25Å; V230-I242 HydrophobicContact CB-CD1 4.05Å; V230-I242 HydrophobicContact CG1-CD1 3.66Å; V230-I242 HydrophobicContact CG1-CG1 4.2Å; I231-I242 HydrophobicContact CD1-CD1 3.97Å; I231-I242 HydrophobicContact CG1-CD1 3.5Å; L239-I242 HydrophobicContact CD1-CG1 4.12Å; L239-I242 HydrophobicContact CD2-CD1 4.19Å; L239-I242 HydrophobicContact CD2-CG1 4.26Å; L239-I242 HydrophobicContact CG-CG1 4.48Å; I242-L244 HydrophobicContact CG2-CD2 3.87Å; I242-L268 PolarHBondContact N-O 3.46Å; I242-V269 HydrophobicContact CB-CG1 4.36Å; I242-V269 HydrophobicContact CB-CG2 4.17Å; I242-V269 HydrophobicContact CD1-CG2 4.25Å; I242-V269 HydrophobicContact CG2-CG1 4.36Å; I242-V269 WeakPolarHBondContact O-CA 3.37Å; I242-K270 PolarHBondContact O-N 2.87Å
243V98.9Very high98.3Very high0 Ų046.7 Ų46.70%022%0.218CC..EExtended strand (participates in β ladder)trans-110.8106.6-176.2-179.90000109V211 V212 I213 E241 I245 F272 K290 A291V211-V243 PolarHBondContact O-N 2.82Å; V212-V243 WeakPolarHBondContact CA-O 3.16Å; V212-V243 HydrophobicContact CG2-CB 4.42Å; I213-V243 PolarHBondContact N-O 3.34Å; E241-V243 HydrophobicContact CB-CG2 4.48Å; E241-V243 HydrophobicContact CG-CG2 3.86Å; V243-I245 HydrophobicContact CG1-CD1 3.68Å; V243-I245 HydrophobicContact CG1-CG1 4.31Å; V243-F272 HydrophobicContact CG1-CD2 3.71Å; V243-F272 HydrophobicContact CG1-CE2 3.84Å; V243-K290 HydrophobicContact CG1-CB 4.39Å; V243-A291 HydrophobicContact CB-CB 4.47Å; V243-A291 HydrophobicContact CG2-CB 3.93Å
244L98.9Very high98.2Very high0 Ų045.8 Ų45.80%021%0.214CC..EExtended strand (participates in β ladder)trans-87.9125.5174.4-49.3-176.3000109.2I213 F215 M224 V227 I242 L258 I262 V269 K270 V271 F272I213-L244 HydrophobicContact CB-CD2 3.8Å; I213-L244 HydrophobicContact CD1-CD2 3.93Å; I213-L244 HydrophobicContact CG1-CD2 4.36Å; I213-L244 HydrophobicContact CG2-CD2 4.34Å; I213-L244 CarbonylContact O-C 3.54Å; I213-L244 WeakPolarHBondContact O-CA 3.3Å; F215-L244 HydrophobicContact CD1-CB 4.31Å; F215-L244 HydrophobicContact CE1-CB 3.86Å; M224-L244 HydrophobicContact CE-CD1 4.48Å; V227-L244 HydrophobicContact CG2-CD1 4.36Å; V227-L244 HydrophobicContact CG2-CD2 3.89Å; I242-L244 HydrophobicContact CG2-CD2 3.87Å; L244-L258 HydrophobicContact CD1-CD1 4.49Å; L244-I262 HydrophobicContact CD1-CG2 4.35Å; L244-V269 HydrophobicContact CD1-CG1 3.89Å; L244-V269 HydrophobicContact CG-CG1 4.03Å; L244-K270 PolarHBondContact N-O 3.11Å; L244-V271 HydrophobicContact CB-CB 4.19Å; L244-V271 HydrophobicContact CB-CG2 4.16Å; L244-V271 CarbonylContact O-C 3.5Å; L244-V271 VanDerWaalsContact O-CA 3.32Å; L244-V271 WeakPolarHBondContact O-CA 3.2Å; L244-F272 PolarHBondContact O-N 3.08Å
245I98.9Very high98.2Very high0 Ų047.8 Ų47.80%022%0.222CC..EExtended strand (participates in β ladder)trans-109.9107.8176.2-55.3-58.8000108.5V212 I213 V214 F215 V243 D247 F272 A283 K290V212-I245 HydrophobicContact CG1-CG1 4.17Å; I213-I245 PolarHBondContact O-N 3.17Å; V214-I245 HydrophobicContact CG2-CB 4.14Å; F215-I245 WeakPolarHBondContact CD1-O 3.47Å; F215-I245 PolarHBondContact N-O 2.98Å; V243-I245 HydrophobicContact CG1-CD1 3.68Å; V243-I245 HydrophobicContact CG1-CG1 4.31Å; I245-D247 PolarHBondContact O-N 3.13Å; I245-F272 HydrophobicContact CD1-CB 3.95Å; I245-F272 HydrophobicContact CD1-CD2 4.13Å; I245-F272 HydrophobicContact CD1-CG 4.47Å; I245-A283 HydrophobicContact CG2-CB 4.09Å; I245-K290 HydrophobicContact CD1-CB 4.43Å; I245-K290 HydrophobicContact CD1-CG 4.48Å
246D98.8Very high98.1Very high1 Ų152 Ų521%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-79.8103.9173.5-177.53.5000109.1F215 F248 S249 K255 F272 R273 N274F215-D246 HydrophobicContact CE1-CB 3.82Å; F215-D246 HydrophobicContact CE2-CB 3.83Å; F215-D246 HydrophobicContact CZ-CB 3.35Å; D246-F248 PolarHBondContact O-N 3.36Å; D246-F248 PolarHBondContact OD1-N 2.72Å; D246-S249 WeakPolarHBondContact OD1-CA 3.18Å; D246-S249 WeakPolarHBondContact OD1-CB 3.44Å; D246-S249 PolarHBondContact OD1-N 2.98Å; D246-S249 PolarHBondContact OD1-OG 2.59Å; D246-K255 IonicContact OD1-NZ 2.65Å; D246-K255 IonicContact OD2-NZ 3.11Å; D246-K255 PolarHBondContact OD2-NZ 3.21Å; D246-F272 PolarHBondContact N-O 3.24Å; D246-R273 HydrophobicContact CB-CB 4.41Å; D246-R273 HydrophobicContact CB-CG 3.87Å; D246-R273 IonicContact OD2-NE 3.81Å; D246-N274 PolarHBondContact O-N 2.89Å
247D97.9Very high98.1Very high4 Ų446.4 Ų46.42%0.02122%0.22CC..  trans-82.359.1178.2-170.940.9000111.4V214 F215 H216 I245 N274 E278 G279 A283V214-D247 HydrophobicContact CG1-CB 4.35Å; F215-D247 PolarHBondContact O-N 3.12Å; H216-D247 HydrophobicContact CB-CB 4.42Å; H216-D247 PolarHBondContact ND1-O 3.32Å; I245-D247 PolarHBondContact O-N 3.13Å; D247-N274 PolarHBondContact OD1-ND2 3.38Å; D247-N274 VanDerWaalsContact OD1-ND2 3.08Å; D247-E278 PolarHBondContact OD1-N 3.04Å; D247-G279 PolarHBondContact OD1-N 3.03Å; D247-G279 WeakPolarHBondContact OD2-CA 3.44Å; D247-G279 PolarHBondContact OD2-N 3.34Å; D247-A283 HydrophobicContact CB-CB 4.04Å
248F97.2Very high98.2Very high111 Ų11140.5 Ų40.549%0.48719%0.194SC..SBendtrans63.349.3175.7-161.5-105.4000114H216 D246 E275 R276 R277H216-F248 PolarHBondContact CE1-O 2.87Å; H216-F248 PolarHBondContact ND1-O 3.38Å; D246-F248 PolarHBondContact O-N 3.36Å; D246-F248 PolarHBondContact OD1-N 2.72Å; F248-E275 WeakPolarHBondContact CD2-O 3.42Å; F248-E275 VanDerWaalsContact CE2-O 3.26Å; F248-E275 WeakPolarHBondContact CE2-O 3.31Å; F248-R276 VanDerWaalsContact CB-C 3.5Å; F248-R277 HydrophobicContact CB-CB 3.98Å; F248-R277 HydrophobicContact CD1-CB 4.25Å; F248-R277 HydrophobicContact CG-CB 4.46Å
249S97.3Very high98.1Very high8 Ų842.5 Ų42.56%0.05621%0.206CC..  trans-63.5153.3174-57.20000112H216 N217 D246 K255H216-S249 WeakPolarHBondContact CA-OG 3.43Å; N217-S249 PolarHBondContact N-OG 2.77Å; N217-S249 VanDerWaalsContact OD1-CA 3.3Å; N217-S249 WeakPolarHBondContact OD1-CA 3.29Å; N217-S249 WeakPolarHBondContact OD1-CB 3.37Å; D246-S249 WeakPolarHBondContact OD1-CA 3.18Å; D246-S249 WeakPolarHBondContact OD1-CB 3.44Å; D246-S249 PolarHBondContact OD1-N 2.98Å; D246-S249 PolarHBondContact OD1-OG 2.59Å; S249-K255 WeakPolarHBondContact O-CE 3.35Å; S249-K255 PolarHBondContact O-NZ 3.01Å
250N95.7Very high98.1Very high116 Ų11647.4 Ų47.462%0.6223%0.228SC*.  trans-114.7-11.2175.36230.4000113.8N217 E252N217-N250 PolarHBondContact ND2-ND2 3.36Å; N217-N250 PolarHBondContact ND2-OD1 3.12Å; N217-N250 PolarHBondContact OD1-N 3.3Å; N217-N250 PolarHBondContact OD1-OD1 3.5Å; N217-N250 VanDerWaalsContact OD1-OD1 3.06Å; N250-E252 PolarHBondContact O-N 3.41Å
251K96.4Very high98.1Very high50 Ų5049.2 Ų49.222%0.21723%0.229CC..  trans-69.9126.8177.5-57-67.7180-178.90110.8E172 N217 H253 L254E172-K251 WeakPolarHBondContact OE1-CE 3.4Å; E172-K251 IonicContact OE1-NZ 3.99Å; E172-K251 PolarHBondContact OE1-NZ 2.82Å; N217-K251 HydrophobicContact CB-CG 3.91Å; N217-K251 PolarHBondContact OD1-N 3.01Å; K251-H253 VanDerWaalsContact C-N 3.29Å; K251-H253 WeakPolarHBondContact CB-NE2 3.44Å; K251-H253 PolarHBondContact O-N 3.33Å; K251-L254 HydrophobicContact CB-CD1 4.13Å; K251-L254 HydrophobicContact CB-CG 4.36Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 PolarHBondContact O-N 3.5Å
252E98.2Very high98.1Very high164 Ų16449.7 Ų49.777%0.76623%0.232SC*.G310 helixtrans-56-40.7-175.4-171.7-174.3172.100112.7N250 L254 K255N250-E252 PolarHBondContact O-N 3.41Å; E252-L254 PolarHBondContact O-N 3.16Å; E252-K255 WeakPolarHBondContact O-CB 2.81Å; E252-K255 PolarHBondContact O-N 3.41Å
253H98.1Very high98Very high44 Ų4455.3 Ų55.320%0.20426%0.256CS..G310 helixtrans-64.7-11.1-178.863.975000114.3E218 W220 K251 K257E218-H253 PolarHBondContact O-CE1 2.86Å; W220-H253 HydrophobicContact CE3-CB 4.21Å; W220-H253 VanDerWaalsContact CE3-O 3.31Å; W220-H253 WeakPolarHBondContact CZ3-O 3.43Å; K251-H253 VanDerWaalsContact C-N 3.29Å; K251-H253 WeakPolarHBondContact CB-NE2 3.44Å; K251-H253 PolarHBondContact O-N 3.33Å; H253-K257 HydrophobicContact CB-CD 4.17Å
254L98.4Very high98Very high0 Ų060.1 Ų60.10%028%0.281CS..G310 helixtrans-93.90.6176.4-61.5174.9000113.2F215 L223 K251 E252 R273F215-L254 HydrophobicContact CD2-CD1 4.01Å; F215-L254 HydrophobicContact CD2-CD2 4.26Å; F215-L254 HydrophobicContact CE2-CB 4.04Å; F215-L254 HydrophobicContact CE2-CD1 3.93Å; F215-L254 HydrophobicContact CE2-CD2 3.96Å; F215-L254 HydrophobicContact CE2-CG 4.18Å; L223-L254 HydrophobicContact CD2-CD2 3.66Å; K251-L254 HydrophobicContact CB-CD1 4.13Å; K251-L254 HydrophobicContact CB-CG 4.36Å; K251-L254 WeakPolarHBondContact O-CB 3.46Å; K251-L254 PolarHBondContact O-N 3.5Å; E252-L254 PolarHBondContact O-N 3.16Å; L254-R273 PolarHBondContact O-NH2 3.07Å; L254-R273 VanDerWaalsContact O-NH2 3.15Å
255K97.9Very high98Very high48 Ų4861.9 Ų61.921%0.20929%0.288CS..SBendtrans-98.7-118.8-178.8-53.1-54.4176-177.80110.1D246 S249 E252 K257 L258 D259 R273D246-K255 IonicContact OD1-NZ 2.65Å; D246-K255 IonicContact OD2-NZ 3.11Å; D246-K255 PolarHBondContact OD2-NZ 3.21Å; S249-K255 WeakPolarHBondContact O-CE 3.35Å; S249-K255 PolarHBondContact O-NZ 3.01Å; E252-K255 WeakPolarHBondContact O-CB 2.81Å; E252-K255 PolarHBondContact O-N 3.41Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 2.83Å; K255-L258 WeakPolarHBondContact O-CB 3.3Å; K255-L258 PolarHBondContact O-N 3.45Å; K255-D259 PolarHBondContact O-N 3.34Å; K255-R273 PolarHBondContact O-NH2 3.18Å
256E97.4Very high97.9Very high134 Ų13469.3 Ų69.363%0.62633%0.328SS*.Hα-helixtrans-58.5-38.8-172.8-61.675.7-163.700111.9L258 D259 E260E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.09Å; E256-D259 PolarHBondContact O-N 3.4Å; E256-E260 PolarHBondContact O-N 3.17Å
257K98.4Very high97.8Very high114 Ų11471.3 Ų71.350%0.49635%0.349SS..Hα-helixtrans-58.4-40.4177-175.9-176.1173.3-177.60112.4W220 H253 K255 Y261W220-K257 HydrophobicContact CE3-CD 4.15Å; W220-K257 HydrophobicContact CH2-CD 4.1Å; W220-K257 HydrophobicContact CH2-CG 3.78Å; W220-K257 HydrophobicContact CZ3-CB 4.34Å; W220-K257 HydrophobicContact CZ3-CD 3.87Å; W220-K257 HydrophobicContact CZ3-CG 3.76Å; H253-K257 HydrophobicContact CB-CD 4.17Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 2.83Å; K257-Y261 WeakPolarHBondContact O-CB 3.42Å; K257-Y261 PolarHBondContact O-N 3.11Å; K257-Y261 VanDerWaalsContact O-N 3.1Å
258L98.6Very high97.9Very high0 Ų073.7 Ų73.70%036%0.361CS..Hα-helixtrans-67.6-43.9178.2178.461.4000110.3F215 W220 L223 M224 L244 K255 E256 E260 Y261 I262 V271F215-L258 HydrophobicContact CE1-CD2 4.37Å; F215-L258 HydrophobicContact CE2-CD2 4.33Å; F215-L258 HydrophobicContact CZ-CD2 3.67Å; W220-L258 HydrophobicContact CZ3-CB 4.21Å; W220-L258 HydrophobicContact CZ3-CD1 4.36Å; L223-L258 HydrophobicContact CD2-CD1 4.5Å; L223-L258 HydrophobicContact CD2-CD2 4.42Å; M224-L258 HydrophobicContact CE-CD1 3.42Å; M224-L258 VanDerWaalsContact CE-CD1 3.42Å; M224-L258 HydrophobicContact SD-CD1 4.07Å; L244-L258 HydrophobicContact CD1-CD1 4.49Å; K255-L258 WeakPolarHBondContact O-CB 3.3Å; K255-L258 PolarHBondContact O-N 3.45Å; E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.09Å; L258-E260 VanDerWaalsContact C-N 3.32Å; L258-E260 PolarHBondContact O-N 3.13Å; L258-Y261 PolarHBondContact O-N 3.3Å; L258-I262 HydrophobicContact CD1-CG2 3.84Å; L258-I262 HydrophobicContact CG-CG2 4.36Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 WeakPolarHBondContact O-CG2 3.26Å; L258-I262 PolarHBondContact O-N 2.65Å; L258-V271 HydrophobicContact CD2-CG2 4.23Å
259D98.1Very high98Very high50 Ų5068.6 Ų68.627%0.26734%0.339SS..Hα-helixtrans-60.2-41179.8-67.1-20.7000112.6K255 E256 I262 K263 V271 R273K255-D259 PolarHBondContact O-N 3.34Å; E256-D259 PolarHBondContact O-N 3.4Å; D259-I262 WeakPolarHBondContact O-CG1 3.39Å; D259-K263 WeakPolarHBondContact O-CG 3.43Å; D259-V271 WeakPolarHBondContact OD1-CG1 3.45Å; D259-R273 VanDerWaalsContact CG-NH2 3.26Å; D259-R273 IonicContact OD1-CZ 3.34Å; D259-R273 IonicContact OD1-NH1 2.68Å; D259-R273 PolarHBondContact OD1-NH1 3.4Å; D259-R273 IonicContact OD1-NH2 3.96Å; D259-R273 PolarHBondContact OD1-NH2 2.88Å; D259-R273 IonicContact OD2-CZ 2.62Å; D259-R273 IonicContact OD2-NH1 3.92Å; D259-R273 PolarHBondContact OD2-NH1 2.93Å; D259-R273 IonicContact OD2-NH2 2.78Å; D259-R273 PolarHBondContact OD2-NH2 3.45Å
260E98.6Very high98Very high116 Ų11671.3 Ų71.354%0.54235%0.35SS..Hα-helixtrans-69.4-41.9175.9-68.7-55138.600112.1E256 L258 K263E256-E260 PolarHBondContact O-N 3.17Å; L258-E260 VanDerWaalsContact C-N 3.32Å; L258-E260 PolarHBondContact O-N 3.13Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.65Å; E260-K263 IonicContact OE1-NZ 2.64Å; E260-K263 PolarHBondContact OE1-NZ 2.73Å; E260-K263 WeakPolarHBondContact OE2-CE 3.48Å; E260-K263 IonicContact OE2-NZ 3.28Å; E260-K263 PolarHBondContact OE2-NZ 3.45Å
261Y98.6Very high98.2Very high70 Ų7067 Ų6728%0.27533%0.327SS..Hα-helixtrans-66.7-42.1-177.1-171.4-99.4000112.9L185 W220 M224 H228 K257 L258 K263 L264 W265L185-Y261 WeakPolarHBondContact CD1-OH 3.46Å; W220-Y261 HydrophobicContact CH2-CD1 4.17Å; W220-Y261 HydrophobicContact CH2-CD2 4.32Å; W220-Y261 AromaticContact CH2-CG 3.79Å; W220-Y261 HydrophobicContact CH2-CG 3.79Å; W220-Y261 AromaticContact CZ2-CD1 3.96Å; W220-Y261 HydrophobicContact CZ2-CD1 3.96Å; W220-Y261 AromaticContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CD2 3.85Å; W220-Y261 HydrophobicContact CZ2-CE1 4.37Å; W220-Y261 HydrophobicContact CZ2-CE2 4.29Å; W220-Y261 AromaticContact CZ2-CG 3.67Å; W220-Y261 HydrophobicContact CZ2-CG 3.67Å; M224-Y261 HydrophobicContact CB-CE1 4.47Å; M224-Y261 HydrophobicContact CG-CD1 4.3Å; M224-Y261 HydrophobicContact CG-CE1 4.02Å; M224-Y261 HydrophobicContact SD-CD1 3.39Å; M224-Y261 WeakPolarHBondContact SD-CD1 3.29Å; M224-Y261 HydrophobicContact SD-CE1 3.47Å; M224-Y261 WeakPolarHBondContact SD-CE1 3.49Å; H228-Y261 AromaticContact NE2-CE1 3.96Å; H228-Y261 AromaticContact NE2-CZ 3.91Å; H228-Y261 PolarHBondContact NE2-OH 3.4Å; K257-Y261 WeakPolarHBondContact O-CB 3.42Å; K257-Y261 PolarHBondContact O-N 3.11Å; K257-Y261 VanDerWaalsContact O-N 3.1Å; L258-Y261 PolarHBondContact O-N 3.3Å; Y261-K263 PolarHBondContact O-N 2.91Å; Y261-K263 VanDerWaalsContact O-N 3.11Å; Y261-L264 WeakPolarHBondContact O-CB 3.48Å; Y261-L264 PolarHBondContact O-N 3.42Å; Y261-L264 VanDerWaalsContact O-N 3.08Å; Y261-W265 HydrophobicContact CD1-CH2 4.16Å; Y261-W265 HydrophobicContact CD1-CZ3 4.1Å; Y261-W265 AromaticContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CZ3 4.06Å
262I98.4Very high98.3Very high14 Ų1467.8 Ų67.87%0.07233%0.331CS..Hα-helixtrans-65.9-16.2-177.864.2171.5000113.4L244 L258 D259 L264 W265 V269 V271L244-I262 HydrophobicContact CD1-CG2 4.35Å; L258-I262 HydrophobicContact CD1-CG2 3.84Å; L258-I262 HydrophobicContact CG-CG2 4.36Å; L258-I262 WeakPolarHBondContact O-CG1 3.49Å; L258-I262 WeakPolarHBondContact O-CG2 3.26Å; L258-I262 PolarHBondContact O-N 2.65Å; D259-I262 WeakPolarHBondContact O-CG1 3.39Å; I262-L264 PolarHBondContact O-N 2.88Å; I262-L264 VanDerWaalsContact O-N 3.15Å; I262-W265 HydrophobicContact CB-CE3 4.43Å; I262-W265 HydrophobicContact CG2-CZ3 4.3Å; I262-W265 PolarHBondContact O-N 3.25Å; I262-V269 HydrophobicContact CB-CB 4.34Å; I262-V269 HydrophobicContact CB-CG1 4.22Å; I262-V269 HydrophobicContact CG2-CG1 3.96Å; I262-V271 HydrophobicContact CD1-CB 4.14Å; I262-V271 HydrophobicContact CD1-CG1 3.62Å
263K98.1Very high98.3Very high117 Ų11764.3 Ų64.351%0.50931%0.311SS..G310 helixtrans-60.1-21.2173-65.1176.8-172.11720112.6D259 E260 Y261 W265 N266D259-K263 WeakPolarHBondContact O-CG 3.43Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.65Å; E260-K263 IonicContact OE1-NZ 2.64Å; E260-K263 PolarHBondContact OE1-NZ 2.73Å; E260-K263 WeakPolarHBondContact OE2-CE 3.48Å; E260-K263 IonicContact OE2-NZ 3.28Å; E260-K263 PolarHBondContact OE2-NZ 3.45Å; Y261-K263 PolarHBondContact O-N 2.91Å; Y261-K263 VanDerWaalsContact O-N 3.11Å; K263-W265 PolarHBondContact O-N 3.03Å; K263-W265 VanDerWaalsContact O-N 3.08Å; K263-N266 PolarHBondContact O-N 3.27Å
264L98.3Very high98.3Very high102 Ų10263.1 Ų63.153%0.53431%0.306SS..G310 helixtrans-48.6-34.3172.7178.661.8000112.8Y261 I262Y261-L264 WeakPolarHBondContact O-CB 3.48Å; Y261-L264 PolarHBondContact O-N 3.42Å; Y261-L264 VanDerWaalsContact O-N 3.08Å; I262-L264 PolarHBondContact O-N 2.88Å; I262-L264 VanDerWaalsContact O-N 3.15Å
265W98.5Very high98.2Very high36 Ų3672.1 Ų72.114%0.13635%0.348CS..G310 helixtrans-10222-176.6-58.2-69.7000114V227 H228 I231 Y261 I262 K263 G267 L268 V269V227-W265 HydrophobicContact CG1-CE3 4.4Å; V227-W265 HydrophobicContact CG1-CH2 3.71Å; V227-W265 HydrophobicContact CG1-CZ2 4.18Å; V227-W265 HydrophobicContact CG1-CZ3 3.85Å; H228-W265 AromaticContact CD2-CH2 3.69Å; H228-W265 AromaticContact CD2-CZ2 3.52Å; H228-W265 AromaticContact CE1-CZ2 3.93Å; H228-W265 AromaticContact NE2-CH2 3.6Å; H228-W265 AromaticContact NE2-CZ2 3.35Å; H228-W265 WeakPolarHBondContact NE2-CZ2 3.37Å; I231-W265 HydrophobicContact CD1-CD2 3.64Å; I231-W265 HydrophobicContact CD1-CE3 4.42Å; I231-W265 HydrophobicContact CD1-CG 3.68Å; I231-W265 HydrophobicContact CD1-CZ2 3.95Å; I231-W265 VanDerWaalsContact CD1-NE1 3.34Å; Y261-W265 HydrophobicContact CD1-CH2 4.16Å; Y261-W265 HydrophobicContact CD1-CZ3 4.1Å; Y261-W265 AromaticContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CH2 3.64Å; Y261-W265 HydrophobicContact CE1-CZ3 4.06Å; I262-W265 HydrophobicContact CB-CE3 4.43Å; I262-W265 HydrophobicContact CG2-CZ3 4.3Å; I262-W265 PolarHBondContact O-N 3.25Å; K263-W265 PolarHBondContact O-N 3.03Å; K263-W265 VanDerWaalsContact O-N 3.08Å; W265-G267 PolarHBondContact O-N 2.88Å; W265-L268 HydrophobicContact CB-CB 4.13Å; W265-L268 VanDerWaalsContact O-CB 3.23Å; W265-L268 WeakPolarHBondContact O-CB 3.35Å; W265-L268 PolarHBondContact O-N 3.42Å; W265-V269 HydrophobicContact CB-CG2 3.92Å; W265-V269 HydrophobicContact CD2-CG2 3.81Å; W265-V269 HydrophobicContact CE3-CB 3.98Å; W265-V269 HydrophobicContact CE3-CG2 3.51Å; W265-V269 HydrophobicContact CG-CG2 4.02Å; W265-V269 HydrophobicContact CZ3-CG2 4.23Å
266N97.7Very high98Very high157 Ų15776.6 Ų76.684%0.8436%0.364SS*.THydrogen-bonded Turntrans50.936.7168.5-51.1107.8000114.3K263K263-N266 PolarHBondContact O-N 3.27Å
267G97Very high97.9Very high43 Ų4372 Ų7244%0.44334%0.34SS..THydrogen-bonded Turntrans87.40.6178.500000116W265 V269 K270W265-G267 PolarHBondContact O-N 2.88Å; G267-V269 VanDerWaalsContact C-N 3.27Å; G267-K270 VanDerWaalsContact O-CE 3.3Å; G267-K270 WeakPolarHBondContact O-CE 3.46Å
268L98.6Very high97.7Very high53 Ų5368.8 Ų68.828%0.27733%0.327SS..SBendtrans-61.1-39.7168.9178.868.4000111.2I231 L239 E241 I242 W265I231-L268 HydrophobicContact CD1-CD2 4.45Å; I231-L268 HydrophobicContact CG1-CD2 4.37Å; L239-L268 HydrophobicContact CD2-CD2 4.24Å; E241-L268 WeakPolarHBondContact CA-O 3.16Å; I242-L268 PolarHBondContact N-O 3.46Å; W265-L268 HydrophobicContact CB-CB 4.13Å; W265-L268 VanDerWaalsContact O-CB 3.23Å; W265-L268 WeakPolarHBondContact O-CB 3.35Å; W265-L268 PolarHBondContact O-N 3.42Å
269V98.8Very high97.5Very high4 Ų468.8 Ų68.82%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-99128.9175.8-172.60000108.8V227 I231 I242 L244 I262 W265 G267V227-V269 HydrophobicContact CG1-CG1 4.33Å; V227-V269 HydrophobicContact CG1-CG2 3.95Å; I231-V269 HydrophobicContact CD1-CG2 3.84Å; I242-V269 HydrophobicContact CB-CG1 4.36Å; I242-V269 HydrophobicContact CB-CG2 4.17Å; I242-V269 HydrophobicContact CD1-CG2 4.25Å; I242-V269 HydrophobicContact CG2-CG1 4.36Å; I242-V269 WeakPolarHBondContact O-CA 3.37Å; L244-V269 HydrophobicContact CD1-CG1 3.89Å; L244-V269 HydrophobicContact CG-CG1 4.03Å; I262-V269 HydrophobicContact CB-CB 4.34Å; I262-V269 HydrophobicContact CB-CG1 4.22Å; I262-V269 HydrophobicContact CG2-CG1 3.96Å; W265-V269 HydrophobicContact CB-CG2 3.92Å; W265-V269 HydrophobicContact CD2-CG2 3.81Å; W265-V269 HydrophobicContact CE3-CB 3.98Å; W265-V269 HydrophobicContact CE3-CG2 3.51Å; W265-V269 HydrophobicContact CG-CG2 4.02Å; W265-V269 HydrophobicContact CZ3-CG2 4.23Å; G267-V269 VanDerWaalsContact C-N 3.27Å
270K98.4Very high97.3Very high66 Ų6668.3 Ų68.329%0.28733%0.325SS..EExtended strand (participates in β ladder)trans-128.5144.4-179.7-60172.7-168.4161.10109.3E241 I242 L244 G267 F272E241-K270 IonicContact OE2-NZ 3.15Å; E241-K270 PolarHBondContact OE2-NZ 2.91Å; I242-K270 PolarHBondContact O-N 2.87Å; L244-K270 PolarHBondContact N-O 3.11Å; G267-K270 VanDerWaalsContact O-CE 3.3Å; G267-K270 WeakPolarHBondContact O-CE 3.46Å; K270-F272 HydrophobicContact CB-CE2 4.08Å
271V98.8Very high97.2Very high24 Ų2462.8 Ų62.815%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-117.1134.7173.263.50000110.3F215 L244 L258 D259 I262F215-V271 HydrophobicContact CE1-CG2 4.22Å; F215-V271 HydrophobicContact CZ-CG2 4.24Å; L244-V271 HydrophobicContact CB-CB 4.19Å; L244-V271 HydrophobicContact CB-CG2 4.16Å; L244-V271 CarbonylContact O-C 3.5Å; L244-V271 VanDerWaalsContact O-CA 3.32Å; L244-V271 WeakPolarHBondContact O-CA 3.2Å; L258-V271 HydrophobicContact CD2-CG2 4.23Å; D259-V271 WeakPolarHBondContact OD1-CG1 3.45Å; I262-V271 HydrophobicContact CD1-CB 4.14Å; I262-V271 HydrophobicContact CD1-CG1 3.62Å
272F98.7Very high97.2Very high67 Ų6761.1 Ų61.129%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-120.9134.3171.2-61.1-84.3000108.9V243 L244 I245 D246 K270 K290V243-F272 HydrophobicContact CG1-CD2 3.71Å; V243-F272 HydrophobicContact CG1-CE2 3.84Å; L244-F272 PolarHBondContact O-N 3.08Å; I245-F272 HydrophobicContact CD1-CB 3.95Å; I245-F272 HydrophobicContact CD1-CD2 4.13Å; I245-F272 HydrophobicContact CD1-CG 4.47Å; D246-F272 PolarHBondContact N-O 3.24Å; K270-F272 HydrophobicContact CB-CE2 4.08Å; F272-K290 HydrophobicContact CD1-CD 4.09Å; F272-K290 HydrophobicContact CD1-CG 4.49Å; F272-K290 HydrophobicContact CD2-CB 3.95Å; F272-K290 HydrophobicContact CD2-CG 4.33Å; F272-K290 HydrophobicContact CE1-CD 4.31Å; F272-K290 HydrophobicContact CE2-CB 3.99Å; F272-K290 HydrophobicContact CG-CB 4.33Å; F272-K290 HydrophobicContact CG-CD 4.3Å; F272-K290 HydrophobicContact CG-CG 4.21Å; F272-K290 HydrophobicContact CZ-CB 4.41Å
273R98.5Very high97.2Very high91 Ų9160.4 Ų60.434%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-106.2127.9-177-66.4177.7169.685.18.6110.3D246 L254 K255 D259D246-R273 HydrophobicContact CB-CB 4.41Å; D246-R273 HydrophobicContact CB-CG 3.87Å; D246-R273 IonicContact OD2-NE 3.81Å; L254-R273 PolarHBondContact O-NH2 3.07Å; L254-R273 VanDerWaalsContact O-NH2 3.15Å; K255-R273 PolarHBondContact O-NH2 3.18Å; D259-R273 VanDerWaalsContact CG-NH2 3.26Å; D259-R273 IonicContact OD1-CZ 3.34Å; D259-R273 IonicContact OD1-NH1 2.68Å; D259-R273 PolarHBondContact OD1-NH1 3.4Å; D259-R273 IonicContact OD1-NH2 3.96Å; D259-R273 PolarHBondContact OD1-NH2 2.88Å; D259-R273 IonicContact OD2-CZ 2.62Å; D259-R273 IonicContact OD2-NH1 3.92Å; D259-R273 PolarHBondContact OD2-NH1 2.93Å; D259-R273 IonicContact OD2-NH2 2.78Å; D259-R273 PolarHBondContact OD2-NH2 3.45Å
274N98.1Very high97.2Very high19 Ų1955 Ų5510%0.10227%0.266CS..  trans-76144.1172-66.8-10.3000109.9D246 D247 R276 E278D246-N274 PolarHBondContact O-N 2.89Å; D247-N274 PolarHBondContact OD1-ND2 3.38Å; D247-N274 VanDerWaalsContact OD1-ND2 3.08Å; N274-R276 VanDerWaalsContact C-N 3.28Å; N274-R276 VanDerWaalsContact CB-O 3.27Å; N274-R276 WeakPolarHBondContact CB-O 3.33Å; N274-E278 HydrophobicContact CB-CG 4.39Å
275E96.2Very high97.2Very high190 Ų19050.5 Ų50.589%0.88824%0.244SC*.SBendtrans-76-19.6179.2-64.4177.1-174.200112.6F248F248-E275 WeakPolarHBondContact CD2-O 3.42Å; F248-E275 VanDerWaalsContact CE2-O 3.26Å; F248-E275 WeakPolarHBondContact CE2-O 3.31Å
276R94.8Very high97.2Very high142 Ų14250.3 Ų50.354%0.53625%0.245SC..SBendtrans-144.5170175.467.3-178.4-175-178.76.2109.9F248 N274 E278F248-R276 VanDerWaalsContact CB-C 3.5Å; N274-R276 VanDerWaalsContact C-N 3.28Å; N274-R276 VanDerWaalsContact CB-O 3.27Å; N274-R276 WeakPolarHBondContact CB-O 3.33Å; R276-E278 HydrophobicContact CG-CG 4.34Å; R276-E278 VanDerWaalsContact CG-OE1 3.23Å; R276-E278 WeakPolarHBondContact CG-OE1 3.42Å; R276-E278 IonicContact CZ-OE1 3.49Å; R276-E278 IonicContact CZ-OE2 3.46Å; R276-E278 IonicContact NE-OE1 2.73Å; R276-E278 PolarHBondContact NE-OE1 3.24Å; R276-E278 IonicContact NE-OE2 3.11Å; R276-E278 PolarHBondContact NE-OE2 3.17Å; R276-E278 VanDerWaalsContact NE-OE2 3.11Å; R276-E278 IonicContact NH2-OE1 3.38Å; R276-E278 PolarHBondContact NH2-OE1 2.9Å; R276-E278 IonicContact NH2-OE2 2.94Å; R276-E278 PolarHBondContact NH2-OE2 3.44Å; R276-E278 PolarHBondContact O-N 3.36Å; R276-E278 VanDerWaalsContact O-N 3.14Å
277R94.5Very high97.3Very high36 Ų3642.9 Ų42.914%0.13621%0.205CC..  trans-79.793177.6-174.5164.1171.4-132.65111.4F248 G279 P451 P453 Y455F248-R277 HydrophobicContact CB-CB 3.98Å; F248-R277 HydrophobicContact CD1-CB 4.25Å; F248-R277 HydrophobicContact CG-CB 4.46Å; R277-G279 VanDerWaalsContact C-N 3.26Å; R277-G279 PolarHBondContact O-N 2.83Å; R277-P451 PolarHBondContact NH1-O 3.38Å; R277-P453 HydrophobicContact CB-CG 4.12Å; R277-P453 HydrophobicContact CG-CG 4.04Å; R277-P453 VanDerWaalsContact NH1-CD 3.34Å; R277-Y455 PolarHBondContact O-OH 3.46Å
278E94.9Very high97.3Very high47 Ų4740.8 Ų40.822%0.2218%0.184CC..  trans-73.2-23.5-178-59.9-68.5175.900111.9D247 N274 R276 Q282 I286D247-E278 PolarHBondContact OD1-N 3.04Å; N274-E278 HydrophobicContact CB-CG 4.39Å; R276-E278 HydrophobicContact CG-CG 4.34Å; R276-E278 VanDerWaalsContact CG-OE1 3.23Å; R276-E278 WeakPolarHBondContact CG-OE1 3.42Å; R276-E278 IonicContact CZ-OE1 3.49Å; R276-E278 IonicContact CZ-OE2 3.46Å; R276-E278 IonicContact NE-OE1 2.73Å; R276-E278 PolarHBondContact NE-OE1 3.24Å; R276-E278 IonicContact NE-OE2 3.11Å; R276-E278 PolarHBondContact NE-OE2 3.17Å; R276-E278 VanDerWaalsContact NE-OE2 3.11Å; R276-E278 IonicContact NH2-OE1 3.38Å; R276-E278 PolarHBondContact NH2-OE1 2.9Å; R276-E278 IonicContact NH2-OE2 2.94Å; R276-E278 PolarHBondContact NH2-OE2 3.44Å; R276-E278 PolarHBondContact O-N 3.36Å; R276-E278 VanDerWaalsContact O-N 3.14Å; E278-Q282 HydrophobicContact CB-CB 3.91Å; E278-I286 HydrophobicContact CB-CD1 4.27Å; E278-I286 HydrophobicContact CG-CD1 3.72Å
279G94Very high97.3Very high1 Ų143 Ų431%0.0119%0.193CC..BIsolated β-bridgetrans89.1161.1-173.200000112.3D247 R277 I281 Q282 A283D247-G279 PolarHBondContact OD1-N 3.03Å; D247-G279 WeakPolarHBondContact OD2-CA 3.44Å; D247-G279 PolarHBondContact OD2-N 3.34Å; R277-G279 VanDerWaalsContact C-N 3.26Å; R277-G279 PolarHBondContact O-N 2.83Å; G279-I281 VanDerWaalsContact C-N 3.26Å; G279-I281 PolarHBondContact O-N 2.82Å; G279-I281 VanDerWaalsContact O-N 3.17Å; G279-Q282 PolarHBondContact O-N 3.07Å; G279-A283 WeakPolarHBondContact O-CB 3.47Å; G279-A283 PolarHBondContact O-N 2.94Å
280L95.1Very high97.3Very high40 Ų4047.5 Ų47.521%0.20921%0.212CC..Hα-helixtrans-51.7-46.2-173.8-179.567.2000112.1V214 R284 I411V214-L280 HydrophobicContact CB-CD1 4.16Å; V214-L280 HydrophobicContact CG1-CD1 4.01Å; L280-R284 WeakPolarHBondContact O-CG 3.42Å; L280-R284 PolarHBondContact O-N 3.08Å; L280-I411 WeakPolarHBondContact CB-O 3.38Å; L280-I411 PolarHBondContact N-O 3.43Å
281I96.3Very high97.3Very high0 Ų044.3 Ų44.30%020%0.198CC..Hα-helixtrans-63.7-55-173.3-50.7171.5000110.7G279 R284 S285 Y405 L409 E415G279-I281 VanDerWaalsContact C-N 3.26Å; G279-I281 PolarHBondContact O-N 2.82Å; G279-I281 VanDerWaalsContact O-N 3.17Å; I281-R284 WeakPolarHBondContact O-CB 3.44Å; I281-R284 PolarHBondContact O-N 3.07Å; I281-S285 PolarHBondContact O-N 2.94Å; I281-Y405 HydrophobicContact CG2-CD1 4.48Å; I281-Y405 HydrophobicContact CG2-CD2 3.97Å; I281-Y405 HydrophobicContact CG2-CG 3.83Å; I281-L409 HydrophobicContact CD1-CB 3.74Å; I281-L409 HydrophobicContact CG2-CB 4.06Å; I281-L409 HydrophobicContact CG2-CD1 4.37Å; I281-E415 HydrophobicContact CB-CB 4.41Å; I281-E415 HydrophobicContact CD1-CB 3.88Å; I281-E415 HydrophobicContact CD1-CG 4.29Å; I281-E415 HydrophobicContact CG1-CB 3.83Å; I281-E415 HydrophobicContact CG1-CG 3.83Å; I281-E415 HydrophobicContact CG2-CB 3.77Å; I281-E415 HydrophobicContact CG2-CG 4.32Å
282Q97.6Very high97.1Very high34 Ų3450.5 Ų50.516%0.15922%0.223CC..Hα-helixtrans-72.4-33.4-177.7-60.3-50.1-36.900112E278 G279 R284 S285 I286 D406 P407 L409E278-Q282 HydrophobicContact CB-CB 3.91Å; G279-Q282 PolarHBondContact O-N 3.07Å; Q282-R284 VanDerWaalsContact C-N 3.28Å; Q282-R284 PolarHBondContact O-N 3.14Å; Q282-S285 WeakPolarHBondContact O-CB 3.35Å; Q282-S285 PolarHBondContact O-N 2.86Å; Q282-S285 VanDerWaalsContact O-N 3.14Å; Q282-I286 WeakPolarHBondContact O-CG1 3.17Å; Q282-I286 PolarHBondContact O-N 3.38Å; Q282-D406 PolarHBondContact NE2-O 2.98Å; Q282-D406 VanDerWaalsContact NE2-O 3.11Å; Q282-P407 PolarHBondContact NE2-O 3.25Å; Q282-L409 PolarHBondContact NE2-O 3.46Å
283A98.3Very high97.1Very high0 Ų052.2 Ų52.20%024%0.235CC..Hα-helixtrans-61.7-35171.800000112.2V214 I245 D247 G279 I286 G287V214-A283 HydrophobicContact CG1-CB 3.56Å; V214-A283 HydrophobicContact CG2-CB 4.09Å; I245-A283 HydrophobicContact CG2-CB 4.09Å; D247-A283 HydrophobicContact CB-CB 4.04Å; G279-A283 WeakPolarHBondContact O-CB 3.47Å; G279-A283 PolarHBondContact O-N 2.94Å; A283-I286 PolarHBondContact O-N 2.97Å; A283-G287 PolarHBondContact O-N 2.71Å
284R98.4Very high97.1Very high3 Ų348.1 Ų48.11%0.01122%0.221CC..Hα-helixtrans-65.6-42.4171.5-76.1-173.6-177.31473.3112V214 L280 I281 Q282 G287 A288 Y299 D301 G389 G390 Y405 E415V214-R284 HydrophobicContact CG2-CB 4.39Å; V214-R284 HydrophobicContact CG2-CG 3.65Å; L280-R284 WeakPolarHBondContact O-CG 3.42Å; L280-R284 PolarHBondContact O-N 3.08Å; I281-R284 WeakPolarHBondContact O-CB 3.44Å; I281-R284 PolarHBondContact O-N 3.07Å; Q282-R284 VanDerWaalsContact C-N 3.28Å; Q282-R284 PolarHBondContact O-N 3.14Å; R284-G287 WeakPolarHBondContact O-CA 3.33Å; R284-G287 PolarHBondContact O-N 3.24Å; R284-G287 VanDerWaalsContact O-N 3.13Å; R284-A288 PolarHBondContact O-N 2.76Å; R284-Y299 HydrophobicContact CB-CD1 4.1Å; R284-Y299 HydrophobicContact CB-CE1 3.52Å; R284-Y299 HydrophobicContact CG-CD1 3.68Å; R284-Y299 HydrophobicContact CG-CE1 3.62Å; R284-Y299 PolarHBondContact O-OH 3.35Å; R284-D301 IonicContact NH2-OD1 3.57Å; R284-D301 PolarHBondContact NH2-OD1 2.93Å; R284-G389 PolarHBondContact NH1-O 2.92Å; R284-G390 PolarHBondContact NH2-O 3.29Å; R284-Y405 HydrophobicContact CB-CD2 4.39Å; R284-Y405 HydrophobicContact CB-CE2 4.01Å; R284-E415 IonicContact NH1-OE1 3.62Å
285S98.4Very high97.1Very high8 Ų851.3 Ų51.36%0.05624%0.235CC..Hα-helixtrans-61.8-42.2174.7-64.20000112.1I281 Q282 G287 A288 Q289I281-S285 PolarHBondContact O-N 2.94Å; Q282-S285 WeakPolarHBondContact O-CB 3.35Å; Q282-S285 PolarHBondContact O-N 2.86Å; Q282-S285 VanDerWaalsContact O-N 3.14Å; S285-G287 VanDerWaalsContact C-N 3.3Å; S285-G287 PolarHBondContact O-N 2.91Å; S285-A288 WeakPolarHBondContact O-CB 3.45Å; S285-A288 PolarHBondContact O-N 3.29Å; S285-Q289 WeakPolarHBondContact O-CG 3.46Å; S285-Q289 PolarHBondContact O-N 2.91Å
286I98.7Very high97.2Very high32 Ų3242.3 Ų42.316%0.16419%0.193CC..Hα-helixtrans-60.3-43.1171.9-67.9165000110.1E278 Q282 A283 A288 Q289 K290E278-I286 HydrophobicContact CB-CD1 4.27Å; E278-I286 HydrophobicContact CG-CD1 3.72Å; Q282-I286 WeakPolarHBondContact O-CG1 3.17Å; Q282-I286 PolarHBondContact O-N 3.38Å; A283-I286 PolarHBondContact O-N 2.97Å; I286-A288 VanDerWaalsContact C-N 3.35Å; I286-A288 PolarHBondContact O-N 3.09Å; I286-Q289 WeakPolarHBondContact O-CB 3.27Å; I286-Q289 PolarHBondContact O-N 2.84Å; I286-K290 HydrophobicContact CG2-CG 4.04Å; I286-K290 WeakPolarHBondContact O-CG 3.27Å; I286-K290 PolarHBondContact O-N 2.77Å
287G98.6Very high97.4Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-54.6-45.3174.100000113.6A283 R284 S285 Q289 K290 A291A283-G287 PolarHBondContact O-N 2.71Å; R284-G287 WeakPolarHBondContact O-CA 3.33Å; R284-G287 PolarHBondContact O-N 3.24Å; R284-G287 VanDerWaalsContact O-N 3.13Å; S285-G287 VanDerWaalsContact C-N 3.3Å; S285-G287 PolarHBondContact O-N 2.91Å; G287-Q289 VanDerWaalsContact C-N 3.27Å; G287-Q289 PolarHBondContact O-N 3.13Å; G287-K290 PolarHBondContact O-N 2.7Å; G287-A291 VanDerWaalsContact O-CB 3.25Å; G287-A291 WeakPolarHBondContact O-CB 3.35Å; G287-A291 PolarHBondContact O-N 3.33Å
288A98.6Very high97.6Very high0 Ų033.9 Ų33.90%016%0.161CC..Hα-helixtrans-59.8-36.617500000112.7R284 S285 I286 L297 Y299 R396 F399 F400 L404R284-A288 PolarHBondContact O-N 2.76Å; S285-A288 WeakPolarHBondContact O-CB 3.45Å; S285-A288 PolarHBondContact O-N 3.29Å; I286-A288 VanDerWaalsContact C-N 3.35Å; I286-A288 PolarHBondContact O-N 3.09Å; A288-L297 HydrophobicContact CB-CD1 3.55Å; A288-Y299 WeakPolarHBondContact CB-OH 3.38Å; A288-Y299 PolarHBondContact N-OH 3Å; A288-R396 PolarHBondContact O-NH2 2.74Å; A288-F399 HydrophobicContact CB-CD1 4.44Å; A288-F400 HydrophobicContact CB-CE2 4.23Å; A288-F400 HydrophobicContact CB-CZ 4.06Å; A288-F400 WeakPolarHBondContact O-CZ 3.47Å; A288-L404 HydrophobicContact CB-CD1 4.49Å; A288-L404 HydrophobicContact CB-CD2 3.88Å
289Q98.4Very high97.8Very high100 Ų10031.7 Ų31.747%0.46715%0.151SC..Hα-helixtrans-74-36.2179-64.7171.8-4.100112.5S285 I286 G287 K292 F400S285-Q289 WeakPolarHBondContact O-CG 3.46Å; S285-Q289 PolarHBondContact O-N 2.91Å; I286-Q289 WeakPolarHBondContact O-CB 3.27Å; I286-Q289 PolarHBondContact O-N 2.84Å; G287-Q289 VanDerWaalsContact C-N 3.27Å; G287-Q289 PolarHBondContact O-N 3.13Å; Q289-K292 WeakPolarHBondContact O-CE 3.2Å; Q289-F400 HydrophobicContact CG-CE1 4.11Å; Q289-F400 HydrophobicContact CG-CZ 4.17Å
290K98.5Very high98.1Very high97 Ų9731.8 Ų31.842%0.42215%0.151SC..Hα-helixtrans-80.8-32.8-179.4-62.7-66.4-177.7179.20112.7V243 I245 F272 I286 G287 K292V243-K290 HydrophobicContact CG1-CB 4.39Å; I245-K290 HydrophobicContact CD1-CB 4.43Å; I245-K290 HydrophobicContact CD1-CG 4.48Å; F272-K290 HydrophobicContact CD1-CD 4.09Å; F272-K290 HydrophobicContact CD1-CG 4.49Å; F272-K290 HydrophobicContact CD2-CB 3.95Å; F272-K290 HydrophobicContact CD2-CG 4.33Å; F272-K290 HydrophobicContact CE1-CD 4.31Å; F272-K290 HydrophobicContact CE2-CB 3.99Å; F272-K290 HydrophobicContact CG-CB 4.33Å; F272-K290 HydrophobicContact CG-CD 4.3Å; F272-K290 HydrophobicContact CG-CG 4.21Å; F272-K290 HydrophobicContact CZ-CB 4.41Å; I286-K290 HydrophobicContact CG2-CG 4.04Å; I286-K290 WeakPolarHBondContact O-CG 3.27Å; I286-K290 PolarHBondContact O-N 2.77Å; G287-K290 PolarHBondContact O-N 2.7Å; K290-K292 PolarHBondContact O-N 2.62Å
291A98.1Very high98.2Very high0 Ų031.1 Ų31.10%015%0.148CC..  trans-74.9109.8172.900000110.3V212 V243 G287 L297 R396V212-A291 HydrophobicContact CG2-CB 3.89Å; V243-A291 HydrophobicContact CB-CB 4.47Å; V243-A291 HydrophobicContact CG2-CB 3.93Å; G287-A291 VanDerWaalsContact O-CB 3.25Å; G287-A291 WeakPolarHBondContact O-CB 3.35Å; G287-A291 PolarHBondContact O-N 3.33Å; A291-L297 HydrophobicContact CB-CD2 3.71Å; A291-R396 PolarHBondContact O-NE 2.71Å
292K94.7Very high98.3Very high153 Ų15331.2 Ų31.267%0.66515%0.149SC*.  trans-121.2-13.9-170.3-68.2-176.1-178.9-175.10113.7E241 Q289 K290E241-K292 PolarHBondContact OE1-N 3.02Å; Q289-K292 WeakPolarHBondContact O-CE 3.2Å; K290-K292 PolarHBondContact O-N 2.62Å
293L98.1Very high98.4Very high103 Ų10330.6 Ų30.654%0.53915%0.146SC..SBendtrans-92.4-33.5-171.1-57.3-176.3000113.5A240 E241A240-L293 HydrophobicContact CB-CB 3.97Å; E241-L293 HydrophobicContact CB-CD1 4.28Å; E241-L293 HydrophobicContact CG-CB 4.09Å; E241-L293 HydrophobicContact CG-CD1 4.29Å; E241-L293 HydrophobicContact CG-CG 4.38Å; E241-L293 WeakPolarHBondContact OE1-CB 3.26Å; E241-L293 WeakPolarHBondContact OE1-CG 3.34Å; E241-L293 PolarHBondContact OE1-N 2.81Å
294G98.3Very high98.4Very high5 Ų530.6 Ų30.65%0.05215%0.146CC..  trans-84.7148.1-178.600000113.6S210S210-G294 WeakPolarHBondContact OG-CA 3.26Å; S210-G294 PolarHBondContact OG-N 3.19Å
295Q98.8Very high98.4Very high87 Ų8730.8 Ų30.841%0.40715%0.147SC..SBendtrans-78.9-29.3173.8-63.1167.9-80.300111.8L207 T208 R396L207-Q295 HydrophobicContact CB-CB 4.23Å; L207-Q295 HydrophobicContact CD2-CB 4.18Å; L207-Q295 VanDerWaalsContact CD2-NE2 3.34Å; T208-Q295 PolarHBondContact O-N 3.42Å; T208-Q295 PolarHBondContact OG1-OE1 2.74Å; Q295-R396 VanDerWaalsContact O-CB 3.3Å; Q295-R396 WeakPolarHBondContact O-CB 3.42Å; Q295-R396 PolarHBondContact O-N 3.44Å
296V98.9Very high98.5Very high0 Ų030.4 Ų30.40%015%0.145CC..EExtended strand (participates in β ladder)trans-114.7139.6176.1174.80000109.1L207 T208 S209 S210 I298 V315 I318 A393 I394L207-V296 HydrophobicContact CB-CG2 3.76Å; L207-V296 HydrophobicContact CD1-CG2 3.67Å; L207-V296 HydrophobicContact CG-CG2 4.37Å; T208-V296 PolarHBondContact O-N 2.96Å; S209-V296 CarbonylContact C-O 3.54Å; S209-V296 WeakPolarHBondContact CA-O 3.16Å; S210-V296 PolarHBondContact N-O 3.24Å; V296-I298 HydrophobicContact CG1-CG1 4.18Å; V296-V315 HydrophobicContact CG2-CG1 4.3Å; V296-I318 HydrophobicContact CG1-CD1 3.85Å; V296-I318 HydrophobicContact CG2-CG2 4.01Å; V296-A393 HydrophobicContact CG1-CB 4.02Å; V296-I394 WeakPolarHBondContact CA-O 3.4Å; V296-I394 WeakPolarHBondContact CG1-O 3.26Å
297L98.9Very high98.5Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans-94.2125.4168.6-64.6174.6000108.3V212 A288 A291 Y299 A393 I394 R396 F399V212-L297 HydrophobicContact CG2-CD2 4.26Å; A288-L297 HydrophobicContact CB-CD1 3.55Å; A291-L297 HydrophobicContact CB-CD2 3.71Å; L297-Y299 HydrophobicContact CB-CE2 4Å; L297-Y299 HydrophobicContact CD1-CE2 4.39Å; L297-A393 VanDerWaalsContact O-CA 3.25Å; L297-A393 WeakPolarHBondContact O-CA 3Å; L297-I394 HydrophobicContact CB-CG2 4.42Å; L297-I394 PolarHBondContact N-O 2.99Å; L297-I394 PolarHBondContact O-N 2.89Å; L297-R396 HydrophobicContact CD1-CB 4.37Å; L297-R396 HydrophobicContact CD1-CG 3.98Å; L297-R396 HydrophobicContact CD2-CG 4.29Å; L297-R396 HydrophobicContact CG-CB 4.01Å; L297-R396 HydrophobicContact CG-CG 3.95Å; L297-F399 HydrophobicContact CD1-CD1 3.93Å
298I98.9Very high98.5Very high2 Ų230.7 Ų30.71%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-112.6116.5171.2-53.5177.6000108.3S209 S210 V211 V212 V296 W310 Y311 L314 V315 F392 A393S209-I298 WeakPolarHBondContact OG-CD1 3.46Å; S210-I298 PolarHBondContact O-N 3.39Å; V211-I298 CarbonylContact C-O 3.56Å; V211-I298 VanDerWaalsContact CA-O 3.28Å; V211-I298 WeakPolarHBondContact CA-O 3.35Å; V211-I298 HydrophobicContact CG2-CB 4.26Å; V212-I298 PolarHBondContact N-O 3.03Å; V296-I298 HydrophobicContact CG1-CG1 4.18Å; I298-W310 HydrophobicContact CD1-CH2 4.04Å; I298-W310 HydrophobicContact CD1-CZ3 4.48Å; I298-W310 HydrophobicContact CG2-CH2 3.73Å; I298-W310 HydrophobicContact CG2-CZ3 3.82Å; I298-Y311 HydrophobicContact CD1-CD2 4Å; I298-Y311 HydrophobicContact CD1-CE2 3.71Å; I298-L314 HydrophobicContact CD1-CD2 4.37Å; I298-L314 HydrophobicContact CG2-CD2 4.24Å; I298-V315 HydrophobicContact CD1-CG2 4.17Å; I298-F392 CarbonylContact C-O 3.55Å; I298-F392 WeakPolarHBondContact CA-O 3.42Å; I298-A393 HydrophobicContact CB-CB 4.42Å; I298-A393 HydrophobicContact CG1-CB 3.78Å; I298-A393 HydrophobicContact CG2-CB 4.41Å
299Y98.9Very high98.5Very high1 Ų131.4 Ų31.40%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-89.9134.3174.5-74.2-88.6000110.4V212 R284 A288 L297 L391 F392 F399V212-Y299 HydrophobicContact CB-CD1 3.92Å; V212-Y299 HydrophobicContact CB-CE1 3.78Å; V212-Y299 HydrophobicContact CG1-CD1 4.04Å; V212-Y299 HydrophobicContact CG1-CE1 3.63Å; V212-Y299 HydrophobicContact CG2-CE1 4.43Å; V212-Y299 WeakPolarHBondContact O-CA 3.21Å; R284-Y299 HydrophobicContact CB-CD1 4.1Å; R284-Y299 HydrophobicContact CB-CE1 3.52Å; R284-Y299 HydrophobicContact CG-CD1 3.68Å; R284-Y299 HydrophobicContact CG-CE1 3.62Å; R284-Y299 PolarHBondContact O-OH 3.35Å; A288-Y299 WeakPolarHBondContact CB-OH 3.38Å; A288-Y299 PolarHBondContact N-OH 3Å; L297-Y299 HydrophobicContact CB-CE2 4Å; L297-Y299 HydrophobicContact CD1-CE2 4.39Å; Y299-L391 WeakPolarHBondContact O-CA 3.05Å; Y299-F392 HydrophobicContact CD2-CD1 4.34Å; Y299-F392 HydrophobicContact CD2-CD2 4.47Å; Y299-F392 AromaticContact CD2-CE1 3.65Å; Y299-F392 HydrophobicContact CD2-CE1 3.65Å; Y299-F392 AromaticContact CD2-CE2 3.82Å; Y299-F392 HydrophobicContact CD2-CE2 3.82Å; Y299-F392 AromaticContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CE2-CE1 4.45Å; Y299-F392 HydrophobicContact CE2-CE2 4.24Å; Y299-F392 AromaticContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CG-CD1 4.47Å; Y299-F392 AromaticContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CZ 4.02Å; Y299-F392 PolarHBondContact N-O 3.29Å; Y299-F392 PolarHBondContact O-N 2.77Å; Y299-F399 HydrophobicContact CE2-CD1 4.32Å; Y299-F399 AromaticContact CE2-CE1 3.84Å; Y299-F399 HydrophobicContact CE2-CE1 3.84Å
300L98.9Very high98.5Very high3 Ų326.7 Ų26.72%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-131.3143.1169.2-64177.2000109.5V211 V212 I213 V230 V306 W310 L391 V438V211-L300 HydrophobicContact CG1-CD1 3.72Å; V211-L300 HydrophobicContact CG1-CG 4.08Å; V212-L300 PolarHBondContact O-N 3.27Å; V212-L300 VanDerWaalsContact O-N 3.09Å; I213-L300 WeakPolarHBondContact CA-O 3.49Å; I213-L300 HydrophobicContact CG1-CB 4.12Å; V230-L300 HydrophobicContact CG2-CD1 3.49Å; V230-L300 VanDerWaalsContact CG2-CD1 3.49Å; L300-V306 HydrophobicContact CD1-CG1 3.87Å; L300-W310 HydrophobicContact CD1-CH2 4.2Å; L300-W310 HydrophobicContact CD2-CZ3 4.35Å; L300-L391 HydrophobicContact CB-CD2 4.34Å; L300-L391 HydrophobicContact CD2-CB 4.47Å; L300-L391 HydrophobicContact CD2-CD2 3.96Å; L300-V438 HydrophobicContact CD2-CG1 4.19Å; L300-V438 HydrophobicContact CD2-CG2 4.39Å
301D98.4Very high98.5Very high26 Ų2622.1 Ų22.114%0.13911%0.111CC..EExtended strand (participates in β ladder)trans-72.8153.4166.9-71.4-20.1000109.6R284 H303 C304 G390 L391 H440R284-D301 IonicContact NH2-OD1 3.57Å; R284-D301 PolarHBondContact NH2-OD1 2.93Å; D301-H303 PolarHBondContact O-N 2.96Å; D301-C304 PolarHBondContact O-SG 2.93Å; D301-G390 WeakPolarHBondContact OD2-CA 3.48Å; D301-L391 HydrophobicContact CB-CD2 4.19Å; D301-H440 IonicContact OD2-CD2 2.69Å; D301-H440 IonicContact OD2-NE2 2.87Å; D301-H440 PolarHBondContact OD2-NE2 2.78Å
302A98.6Very high98.5Very high2 Ų222.1 Ų22.12%0.01711%0.111CC..SBendtrans-72.64.5-170.400000115.5I213 F215 E218 T222 L223 T226I213-A302 HydrophobicContact CG2-CB 3.72Å; F215-A302 HydrophobicContact CB-CB 3.66Å; E218-A302 HydrophobicContact CB-CB 4.33Å; E218-A302 HydrophobicContact CG-CB 3.73Å; T222-A302 CarbonylContact C-O 3.4Å; L223-A302 VanDerWaalsContact CA-O 3.22Å; L223-A302 WeakPolarHBondContact CA-O 3.43Å; L223-A302 HydrophobicContact CD1-CB 3.79Å; L223-A302 PolarHBondContact N-O 3.23Å; T226-A302 VanDerWaalsContact OG1-C 3.3Å; T226-A302 PolarHBondContact OG1-O 3.44Å
303H98.7Very high98.7Very high20 Ų2015 Ų159%0.0938%0.08CC..SBendtrans-134.857.9179.139.8-98.2000109.7F175 E218 T226 D301 H440 I441F175-H303 HydrophobicContact CE2-CB 4.27Å; F175-H303 HydrophobicContact CZ-CB 4.33Å; F175-H303 AromaticContact CZ-CG 3.84Å; F175-H303 AromaticContact CZ-ND1 3.92Å; E218-H303 VanDerWaalsContact CD-ND1 3.29Å; E218-H303 IonicContact OE1-ND1 2.93Å; E218-H303 PolarHBondContact OE1-ND1 3.26Å; E218-H303 IonicContact OE2-CE1 2.71Å; E218-H303 PolarHBondContact OE2-CE1 3.38Å; E218-H303 IonicContact OE2-CG 2.82Å; E218-H303 IonicContact OE2-ND1 2.7Å; E218-H303 PolarHBondContact OE2-ND1 3.44Å; T226-H303 PolarHBondContact OG1-N 3.07Å; D301-H303 PolarHBondContact O-N 2.96Å; H303-H440 AromaticContact CD2-CD2 3.95Å; H303-H440 AromaticContact CD2-CE1 3.86Å; H303-H440 AromaticContact CD2-NE2 3.5Å; H303-H440 PolarHBondContact CD2-NE2 2.78Å; H303-H440 AromaticContact NE2-CE1 3.73Å; H303-H440 AromaticContact NE2-NE2 3.27Å; H303-H440 PolarHBondContact NE2-NE2 2.94Å; H303-I441 HydrophobicContact CB-CB 4.15Å; H303-I441 HydrophobicContact CB-CD1 3.94Å; H303-I441 HydrophobicContact CB-CG1 4.16Å; H303-I441 WeakPolarHBondContact O-CG1 3.49Å; H303-I441 PolarHBondContact O-N 3.13Å
304C98.8Very high98.8Very high1 Ų110.1 Ų10.11%0.0076%0.055CC..EExtended strand (participates in β ladder)trans-120.9157.3179.9-65.70000112.2T226 D301 L391 V438 G439T226-C304 WeakPolarHBondContact CA-O 3.45Å; T226-C304 WeakPolarHBondContact CB-O 3.21Å; T226-C304 HydrophobicContact CG2-CB 4.02Å; T226-C304 PolarHBondContact OG1-N 3.43Å; T226-C304 PolarHBondContact OG1-O 3.37Å; D301-C304 PolarHBondContact O-SG 2.93Å; C304-L391 VanDerWaalsContact SG-CD2 3.51Å; C304-V438 HydrophobicContact CB-CG1 3.79Å; C304-G439 CarbonylContact C-O 3.5Å; C304-G439 WeakPolarHBondContact CA-O 3.3Å; C304-G439 WeakPolarHBondContact CB-O 3.3Å
305E98.9Very high98.8Very high6 Ų69.9 Ų9.93%0.0285%0.052CC..EExtended strand (participates in β ladder)trans-132.6114.6168-67.1178.2-124.400109.4R187 R225 I333 G439R187-E305 IonicContact CZ-OE1 3.17Å; R187-E305 IonicContact CZ-OE2 3.47Å; R187-E305 IonicContact NE-OE1 3.49Å; R187-E305 PolarHBondContact NE-OE1 2.78Å; R187-E305 IonicContact NE-OE2 3.66Å; R187-E305 PolarHBondContact NE-OE2 2.82Å; R187-E305 VanDerWaalsContact NH2-CD 3.33Å; R187-E305 IonicContact NH2-OE1 2.79Å; R187-E305 PolarHBondContact NH2-OE1 3Å; R187-E305 IonicContact NH2-OE2 2.87Å; R187-E305 PolarHBondContact NH2-OE2 2.98Å; R225-E305 VanDerWaalsContact CD-CD 3.41Å; R225-E305 VanDerWaalsContact CD-OE1 3.24Å; R225-E305 WeakPolarHBondContact CD-OE1 3.46Å; R225-E305 HydrophobicContact CG-CG 4.16Å; E305-I333 HydrophobicContact CB-CD1 3.87Å; E305-I333 HydrophobicContact CG-CD1 3.9Å; E305-G439 PolarHBondContact N-O 3.06Å; E305-G439 PolarHBondContact O-N 3.2Å
306V98.9Very high98.8Very high1 Ų15.9 Ų5.91%0.0063%0.034CC..EExtended strand (participates in β ladder)trans-74.4142.7-178.8-56.30000110.8S229 V230 R233 L300 W310 V438S229-V306 VanDerWaalsContact O-CG2 3.29Å; S229-V306 WeakPolarHBondContact O-CG2 3.49Å; S229-V306 PolarHBondContact OG-N 2.79Å; V230-V306 HydrophobicContact CG2-CG1 4.04Å; R233-V306 HydrophobicContact CB-CG2 4.09Å; R233-V306 WeakPolarHBondContact CD-O 3.2Å; R233-V306 PolarHBondContact NH1-O 3.33Å; L300-V306 HydrophobicContact CD1-CG1 3.87Å; V306-W310 HydrophobicContact CB-CD2 3.84Å; V306-W310 HydrophobicContact CB-CE3 4.45Å; V306-W310 HydrophobicContact CB-CG 3.83Å; V306-W310 HydrophobicContact CG1-CD2 3.94Å; V306-W310 HydrophobicContact CG1-CE3 4.17Å; V306-W310 HydrophobicContact CG1-CG 4.46Å; V306-W310 HydrophobicContact CG1-CH2 4.21Å; V306-W310 HydrophobicContact CG1-CZ2 4.02Å; V306-W310 HydrophobicContact CG1-CZ3 4.29Å; V306-W310 HydrophobicContact CG2-CD2 4.42Å; V306-W310 HydrophobicContact CG2-CG 4.29Å; V306-V438 HydrophobicContact CB-CG2 4.43Å; V306-V438 HydrophobicContact CG1-CG1 4.22Å; V306-V438 HydrophobicContact CG1-CG2 4.06Å
307A98.9Very high98.8Very high13 Ų136.8 Ų6.811%0.1074%0.04CC..PPolyproline II helixtrans-78.2170.8177.400000112.2W310 R437A307-W310 WeakPolarHBondContact O-CB 3.43Å; A307-R437 HydrophobicContact CB-CB 3.97Å; A307-R437 WeakPolarHBondContact CB-O 3.41Å; A307-R437 PolarHBondContact N-O 2.83Å
308V98.6Very high98.8Very high25 Ų256.8 Ų6.815%0.1524%0.04CC..THydrogen-bonded Turntrans-62.5137.3172.5171.80000110.4P137 R193 W310P137-V308 HydrophobicContact CG-CG1 3.29Å; R193-V308 PolarHBondContact NH1-O 2.77Å; V308-W310 PolarHBondContact O-N 2.63Å
309N98.6Very high98.8Very high15 Ų156.7 Ų6.78%0.084%0.039CC..THydrogen-bonded Turntrans51.637.3179.7-172.622.4000113.3F135 Y311 P313F135-N309 VanDerWaalsContact CB-OD1 3.26Å; F135-N309 WeakPolarHBondContact CB-OD1 3.36Å; N309-Y311 VanDerWaalsContact C-N 3.34Å; N309-P313 WeakPolarHBondContact O-CD 3.37Å; N309-P313 WeakPolarHBondContact O-CG 3.5Å
310W98.9Very high98.8Very high0 Ų011.1 Ų11.10%06%0.059CC..  trans-70.6-29.617877.6-70.7000112.9T234 I298 L300 V306 A307 V308 L314 S436 V438T234-W310 PolarHBondContact OG1-NE1 2.62Å; I298-W310 HydrophobicContact CD1-CH2 4.04Å; I298-W310 HydrophobicContact CD1-CZ3 4.48Å; I298-W310 HydrophobicContact CG2-CH2 3.73Å; I298-W310 HydrophobicContact CG2-CZ3 3.82Å; L300-W310 HydrophobicContact CD1-CH2 4.2Å; L300-W310 HydrophobicContact CD2-CZ3 4.35Å; V306-W310 HydrophobicContact CB-CD2 3.84Å; V306-W310 HydrophobicContact CB-CE3 4.45Å; V306-W310 HydrophobicContact CB-CG 3.83Å; V306-W310 HydrophobicContact CG1-CD2 3.94Å; V306-W310 HydrophobicContact CG1-CE3 4.17Å; V306-W310 HydrophobicContact CG1-CG 4.46Å; V306-W310 HydrophobicContact CG1-CH2 4.21Å; V306-W310 HydrophobicContact CG1-CZ2 4.02Å; V306-W310 HydrophobicContact CG1-CZ3 4.29Å; V306-W310 HydrophobicContact CG2-CD2 4.42Å; V306-W310 HydrophobicContact CG2-CG 4.29Å; A307-W310 WeakPolarHBondContact O-CB 3.43Å; V308-W310 PolarHBondContact O-N 2.63Å; W310-L314 HydrophobicContact CE3-CD2 3.82Å; W310-L314 HydrophobicContact CZ3-CD2 3.58Å; W310-L314 WeakPolarHBondContact O-CB 3.28Å; W310-S436 VanDerWaalsContact O-CB 3.25Å; W310-S436 WeakPolarHBondContact O-CB 3.3Å; W310-S436 PolarHBondContact O-OG 2.62Å; W310-V438 HydrophobicContact CE3-CG2 4Å; W310-V438 HydrophobicContact CZ3-CG2 4.44Å
311Y98.9Very high98.8Very high1 Ų112.7 Ų12.70%0.0047%0.067CC..Hα-helixtrans-73.1-54.7-168-174.8-90.5000114.2L206 L207 S209 T234 Y238 I298 N309 L314 V315L206-Y311 HydrophobicContact CB-CE1 4.43Å; L206-Y311 HydrophobicContact CD1-CD1 4.25Å; L206-Y311 HydrophobicContact CD1-CE1 4.25Å; L207-Y311 PolarHBondContact O-OH 3.46Å; S209-Y311 WeakPolarHBondContact CB-OH 3.48Å; S209-Y311 PolarHBondContact N-OH 3.26Å; S209-Y311 WeakPolarHBondContact OG-CE2 3.5Å; S209-Y311 PolarHBondContact OG-OH 2.84Å; T234-Y311 HydrophobicContact CG2-CD2 3.67Å; T234-Y311 HydrophobicContact CG2-CE2 4.21Å; T234-Y311 HydrophobicContact CG2-CG 3.97Å; Y238-Y311 VanDerWaalsContact CB-CZ 3.47Å; Y238-Y311 HydrophobicContact CD1-CE1 4.38Å; Y238-Y311 HydrophobicContact CD2-CD1 4.17Å; Y238-Y311 HydrophobicContact CD2-CE1 4.02Å; Y238-Y311 HydrophobicContact CG-CD1 4.31Å; Y238-Y311 AromaticContact CG-CE1 3.69Å; Y238-Y311 HydrophobicContact CG-CE1 3.69Å; Y238-Y311 PolarHBondContact O-OH 3.04Å; I298-Y311 HydrophobicContact CD1-CD2 4Å; I298-Y311 HydrophobicContact CD1-CE2 3.71Å; N309-Y311 VanDerWaalsContact C-N 3.34Å; Y311-L314 WeakPolarHBondContact O-CB 3.46Å; Y311-L314 PolarHBondContact O-N 3.37Å; Y311-L314 VanDerWaalsContact O-N 3.1Å; Y311-V315 HydrophobicContact CD1-CG2 4.38Å; Y311-V315 HydrophobicContact CD2-CG2 4.19Å; Y311-V315 HydrophobicContact CE1-CB 4.1Å; Y311-V315 HydrophobicContact CE1-CG1 4.39Å; Y311-V315 HydrophobicContact CE1-CG2 3.98Å; Y311-V315 HydrophobicContact CE2-CG2 3.8Å; Y311-V315 HydrophobicContact CG-CG2 4.47Å; Y311-V315 PolarHBondContact O-N 2.83Å
312A98.8Very high98.8Very high0 Ų011.9 Ų11.90%06%0.062CC..Hα-helixtrans-57.2-50.1-175.400000113.3F135 Y202 L206 L314 V315 A316F135-A312 HydrophobicContact CB-CB 4.36Å; F135-A312 HydrophobicContact CD1-CB 3.73Å; F135-A312 HydrophobicContact CD2-CB 4.19Å; F135-A312 HydrophobicContact CE1-CB 3.9Å; F135-A312 HydrophobicContact CE2-CB 4.39Å; F135-A312 HydrophobicContact CG-CB 3.86Å; F135-A312 HydrophobicContact CZ-CB 4.24Å; Y202-A312 HydrophobicContact CD1-CB 4.26Å; Y202-A312 HydrophobicContact CD2-CB 4.02Å; Y202-A312 HydrophobicContact CE2-CB 4.4Å; Y202-A312 HydrophobicContact CG-CB 3.96Å; L206-A312 HydrophobicContact CD1-CB 3.82Å; A312-L314 VanDerWaalsContact C-N 3.26Å; A312-L314 PolarHBondContact O-N 2.79Å; A312-V315 PolarHBondContact O-N 3.42Å; A312-A316 WeakPolarHBondContact O-CB 3.4Å; A312-A316 PolarHBondContact O-N 2.77Å
313P98.9Very high98.8Very high4 Ų412.9 Ų12.93%0.0267%0.068CC..Hα-helixtrans-61.5-33.9175.318.9-29.6000113.3Y202 N309 P317 V433 C435Y202-P313 HydrophobicContact CE1-CB 4.16Å; Y202-P313 WeakPolarHBondContact OH-CB 3.3Å; N309-P313 WeakPolarHBondContact O-CD 3.37Å; N309-P313 WeakPolarHBondContact O-CG 3.5Å; P313-P317 WeakPolarHBondContact O-CD 3.44Å; P313-V433 HydrophobicContact CB-CG1 3.71Å; P313-V433 VanDerWaalsContact O-CG1 3.28Å; P313-V433 WeakPolarHBondContact O-CG1 3Å; P313-C435 HydrophobicContact CB-CB 3.79Å; P313-C435 HydrophobicContact CG-CB 4.02Å; P313-C435 WeakPolarHBondContact CG-O 3.22Å
314L98.9Very high98.8Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-69.9-44.4-179.5-169.666.7000111.7I298 W310 Y311 A312 P317 T326 P328 A393 V433I298-L314 HydrophobicContact CD1-CD2 4.37Å; I298-L314 HydrophobicContact CG2-CD2 4.24Å; W310-L314 HydrophobicContact CE3-CD2 3.82Å; W310-L314 HydrophobicContact CZ3-CD2 3.58Å; W310-L314 WeakPolarHBondContact O-CB 3.28Å; Y311-L314 WeakPolarHBondContact O-CB 3.46Å; Y311-L314 PolarHBondContact O-N 3.37Å; Y311-L314 VanDerWaalsContact O-N 3.1Å; A312-L314 VanDerWaalsContact C-N 3.26Å; A312-L314 PolarHBondContact O-N 2.79Å; L314-P317 WeakPolarHBondContact O-CD 3.35Å; L314-T326 WeakPolarHBondContact CD1-OG1 3.36Å; L314-T326 WeakPolarHBondContact O-CB 3.47Å; L314-T326 WeakPolarHBondContact O-CG2 3.14Å; L314-T326 PolarHBondContact O-OG1 3.29Å; L314-P328 HydrophobicContact CD1-CB 4.35Å; L314-A393 HydrophobicContact CD1-CB 4.44Å; L314-A393 HydrophobicContact CD2-CB 3.89Å; L314-A393 HydrophobicContact CG-CB 3.89Å; L314-V433 HydrophobicContact CD1-CG2 4.42Å
315V98.9Very high98.8Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-92.2-20-170.9179.20000113.2L207 V296 I298 Y311 A312 I318 S319L207-V315 HydrophobicContact CB-CG1 4Å; V296-V315 HydrophobicContact CG2-CG1 4.3Å; I298-V315 HydrophobicContact CD1-CG2 4.17Å; Y311-V315 HydrophobicContact CD1-CG2 4.38Å; Y311-V315 HydrophobicContact CD2-CG2 4.19Å; Y311-V315 HydrophobicContact CE1-CB 4.1Å; Y311-V315 HydrophobicContact CE1-CG1 4.39Å; Y311-V315 HydrophobicContact CE1-CG2 3.98Å; Y311-V315 HydrophobicContact CE2-CG2 3.8Å; Y311-V315 HydrophobicContact CG-CG2 4.47Å; Y311-V315 PolarHBondContact O-N 2.83Å; A312-V315 PolarHBondContact O-N 3.42Å; V315-I318 PolarHBondContact O-N 3.46Å; V315-S319 PolarHBondContact O-N 2.89Å; V315-S319 PolarHBondContact O-OG 2.76Å
316A98.9Very high98.8Very high4 Ų412.2 Ų12.23%0.0337%0.065CC..Hα-helixtrans-57.1-44.7178.900000114.1Y122 Y202 L206 A312 I318 S319 K320Y122-A316 HydrophobicContact CE1-CB 3.76Å; Y122-A316 WeakPolarHBondContact OH-CB 3.48Å; Y202-A316 HydrophobicContact CD1-CB 3.97Å; Y202-A316 HydrophobicContact CE1-CB 4.41Å; L206-A316 HydrophobicContact CD2-CB 3.96Å; A312-A316 WeakPolarHBondContact O-CB 3.4Å; A312-A316 PolarHBondContact O-N 2.77Å; A316-I318 VanDerWaalsContact C-N 3.34Å; A316-I318 PolarHBondContact O-N 3.3Å; A316-S319 WeakPolarHBondContact O-CB 3.46Å; A316-S319 PolarHBondContact O-N 2.05Å; A316-K320 PolarHBondContact O-N 3.29Å
317P98.9Very high98.8Very high18 Ų1812.2 Ų12.212%0.1177%0.065CC..Hα-helixtrans-61.5-41.3177.1-23.635.3000112.6P313 L314 S319 K320 D321 I324 T326 P381 L431P313-P317 WeakPolarHBondContact O-CD 3.44Å; L314-P317 WeakPolarHBondContact O-CD 3.35Å; P317-S319 VanDerWaalsContact C-N 3.33Å; P317-S319 PolarHBondContact O-N 3.2Å; P317-K320 PolarHBondContact O-N 3.34Å; P317-D321 PolarHBondContact O-N 2.94Å; P317-I324 HydrophobicContact CB-CD1 4.32Å; P317-I324 HydrophobicContact CB-CG2 3.98Å; P317-T326 HydrophobicContact CB-CG2 3.8Å; P317-T326 HydrophobicContact CG-CG2 3.93Å; P317-P381 HydrophobicContact CG-CG 3.92Å; P317-L431 HydrophobicContact CB-CD1 4.29Å
318I98.9Very high98.8Very high0 Ų011.7 Ų11.70%06%0.061CC..Hα-helixtrans-65.5-39.1177.9-47.8-178.5000110.8L207 V296 V315 A316 K320 D321 R322 I324 T326 A393 E395L207-I318 HydrophobicContact CD1-CG2 4.18Å; V296-I318 HydrophobicContact CG1-CD1 3.85Å; V296-I318 HydrophobicContact CG2-CG2 4.01Å; V315-I318 PolarHBondContact O-N 3.46Å; A316-I318 VanDerWaalsContact C-N 3.34Å; A316-I318 PolarHBondContact O-N 3.3Å; I318-K320 PolarHBondContact O-N 3.03Å; I318-D321 CarbonylContact O-C 3.52Å; I318-D321 PolarHBondContact O-N 3.42Å; I318-R322 PolarHBondContact O-N 3.15Å; I318-I324 WeakPolarHBondContact CG1-O 3.24Å; I318-T326 HydrophobicContact CD1-CG2 4.32Å; I318-T326 HydrophobicContact CG1-CG2 3.82Å; I318-A393 HydrophobicContact CD1-CB 3.75Å; I318-A393 WeakPolarHBondContact CD1-O 3.39Å; I318-E395 HydrophobicContact CG2-CB 3.74Å
319S98.8Very high98.8Very high0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-61.5-35.3177.9-56.10000111.3Q118 F120 Y122 L207 V315 A316 P317Q118-S319 PolarHBondContact NE2-O 3.23Å; F120-S319 VanDerWaalsContact CD1-O 3.31Å; F120-S319 WeakPolarHBondContact CD1-O 3.47Å; Y122-S319 WeakPolarHBondContact CB-O 3.07Å; L207-S319 PolarHBondContact N-OG 3.23Å; V315-S319 PolarHBondContact O-N 2.89Å; V315-S319 PolarHBondContact O-OG 2.76Å; A316-S319 WeakPolarHBondContact O-CB 3.46Å; A316-S319 PolarHBondContact O-N 2.05Å; P317-S319 VanDerWaalsContact C-N 3.33Å; P317-S319 PolarHBondContact O-N 3.2Å
320K98.4Very high98.8Very high95 Ų9511.5 Ų11.541%0.4136%0.058SC..Hα-helixtrans-75.7-41.4175.7179.1172.3169.2-168.50113.6Q118 Y122 D124 A316 P317 I318Q118-K320 PolarHBondContact NE2-O 2.88Å; Y122-K320 HydrophobicContact CD1-CB 4.19Å; D124-K320 WeakPolarHBondContact OD1-CD 3.07Å; D124-K320 IonicContact OD1-NZ 2.77Å; D124-K320 PolarHBondContact OD1-NZ 2.8Å; D124-K320 IonicContact OD2-NZ 2.71Å; D124-K320 PolarHBondContact OD2-NZ 3.21Å; A316-K320 PolarHBondContact O-N 3.29Å; P317-K320 PolarHBondContact O-N 3.34Å; I318-K320 PolarHBondContact O-N 3.03Å
321D98.8Very high98.8Very high35 Ų3511.7 Ų11.719%0.1876%0.06CC..  trans-142105.4-175.4174.7-2.2000108.3P317 I318 T323 I324 K429P317-D321 PolarHBondContact O-N 2.94Å; I318-D321 CarbonylContact O-C 3.52Å; I318-D321 PolarHBondContact O-N 3.42Å; D321-T323 PolarHBondContact O-N 2.91Å; D321-T323 PolarHBondContact OD1-N 3.45Å; D321-T323 VanDerWaalsContact OD1-N 3.11Å; D321-T323 PolarHBondContact OD1-OG1 3.33Å; D321-I324 HydrophobicContact CB-CD1 3.67Å; D321-I324 HydrophobicContact CB-CG1 3.78Å; D321-I324 WeakPolarHBondContact O-CB 3.29Å; D321-I324 WeakPolarHBondContact O-CG1 3.23Å; D321-I324 PolarHBondContact O-N 2.84Å; D321-K429 IonicContact OD2-NZ 3.6Å; D321-K429 PolarHBondContact OD2-NZ 3.39Å
322R98.7Very high98.8Very high10 Ų1013.1 Ų13.14%0.0387%0.068CC..THydrogen-bonded Turntrans-60.3-17.6-175.565.5178.9-64-81.1-9.9114.3K116 Q118 I318 I324 E395 F398 E401K116-R322 WeakPolarHBondContact O-CD 3.47Å; K116-R322 PolarHBondContact O-NH1 3.41Å; Q118-R322 VanDerWaalsContact OE1-CB 3.3Å; Q118-R322 VanDerWaalsContact OE1-CG 3.3Å; I318-R322 PolarHBondContact O-N 3.15Å; R322-I324 VanDerWaalsContact C-N 3.27Å; R322-E395 HydrophobicContact CB-CB 4.26Å; R322-E395 HydrophobicContact CB-CG 4.07Å; R322-E395 IonicContact CZ-OE1 3.82Å; R322-E395 IonicContact CZ-OE2 2.72Å; R322-E395 IonicContact NE-OE1 2.68Å; R322-E395 PolarHBondContact NE-OE1 3.18Å; R322-E395 IonicContact NE-OE2 3.22Å; R322-E395 IonicContact NH2-OE1 3.36Å; R322-E395 PolarHBondContact NH2-OE1 3.29Å; R322-E395 IonicContact NH2-OE2 2.67Å; R322-E395 PolarHBondContact NH2-OE2 3.17Å; R322-E395 WeakPolarHBondContact O-CB 3.24Å; R322-F398 WeakPolarHBondContact O-CD1 3.18Å; R322-E401 IonicContact CZ-OE2 3.66Å; R322-E401 IonicContact NH1-OE1 3.52Å; R322-E401 IonicContact NH1-OE2 2.83Å; R322-E401 PolarHBondContact NH1-OE2 2.77Å; R322-E401 IonicContact NH2-OE2 3.58Å; R322-E401 PolarHBondContact NH2-OE2 3.36Å
323T98.8Very high98.7Very high23 Ų2313.1 Ų13.114%0.1417%0.068CC..THydrogen-bonded Turntrans-88.44.7178.570.40000113D321 F398 G428 K429D321-T323 PolarHBondContact O-N 2.91Å; D321-T323 PolarHBondContact OD1-N 3.45Å; D321-T323 VanDerWaalsContact OD1-N 3.11Å; D321-T323 PolarHBondContact OD1-OG1 3.33Å; T323-F398 HydrophobicContact CG2-CD2 4.27Å; T323-F398 HydrophobicContact CG2-CE2 4.08Å; T323-F398 HydrophobicContact CG2-CZ 4.39Å; T323-F398 VanDerWaalsContact O-CE1 3.27Å; T323-F398 WeakPolarHBondContact O-CE1 3.45Å; T323-G428 WeakPolarHBondContact O-CA 3.39Å; T323-K429 PolarHBondContact O-N 3.37Å; T323-K429 VanDerWaalsContact O-N 3.09Å
324I98.9Very high98.7Very high13 Ų1315.2 Ų15.27%0.0678%0.079CC..EExtended strand (participates in β ladder)trans-86.6128.5171.4-60.2-175000109.8P317 I318 D321 R322 T326 K429 L431P317-I324 HydrophobicContact CB-CD1 4.32Å; P317-I324 HydrophobicContact CB-CG2 3.98Å; I318-I324 WeakPolarHBondContact CG1-O 3.24Å; D321-I324 HydrophobicContact CB-CD1 3.67Å; D321-I324 HydrophobicContact CB-CG1 3.78Å; D321-I324 WeakPolarHBondContact O-CB 3.29Å; D321-I324 WeakPolarHBondContact O-CG1 3.23Å; D321-I324 PolarHBondContact O-N 2.84Å; R322-I324 VanDerWaalsContact C-N 3.27Å; I324-T326 HydrophobicContact CG2-CG2 3.79Å; I324-K429 WeakPolarHBondContact CA-O 3.35Å; I324-K429 HydrophobicContact CD1-CD 4.31Å; I324-K429 HydrophobicContact CG1-CB 4.23Å; I324-K429 HydrophobicContact CG1-CD 4.22Å; I324-L431 HydrophobicContact CD1-CD1 4.12Å; I324-L431 HydrophobicContact CG2-CB 4.48Å; I324-L431 HydrophobicContact CG2-CD1 3.68Å; I324-L431 HydrophobicContact CG2-CG 3.91Å
325C98.9Very high98.7Very high0 Ų015.3 Ų15.30%08%0.08CC..EExtended strand (participates in β ladder)trans-101.7135.4162.7179.70000108.7M387 A393 I394 I423 K429 L430 L431C325-M387 VanDerWaalsContact SG-CE 3.59Å; C325-A393 WeakPolarHBondContact CA-O 3.45Å; C325-A393 PolarHBondContact SG-O 3.49Å; C325-I394 HydrophobicContact CB-CB 4.5Å; C325-I394 HydrophobicContact CB-CD1 4.29Å; C325-I394 HydrophobicContact CB-CG1 4.36Å; C325-I423 HydrophobicContact CB-CD1 3.56Å; C325-I423 HydrophobicContact CB-CG1 4.5Å; C325-K429 PolarHBondContact N-O 3.03Å; C325-L430 HydrophobicContact CB-CD1 4.06Å; C325-L430 WeakPolarHBondContact O-CA 3.38Å; C325-L431 PolarHBondContact O-N 3.25Å
326T98.9Very high98.6Very high0 Ų018.2 Ų18.20%010%0.096CC..EExtended strand (participates in β ladder)trans-120147.2-177.359.40000111.6L314 P317 I318 I324 F392 A393 L431 V433L314-T326 WeakPolarHBondContact CD1-OG1 3.36Å; L314-T326 WeakPolarHBondContact O-CB 3.47Å; L314-T326 WeakPolarHBondContact O-CG2 3.14Å; L314-T326 PolarHBondContact O-OG1 3.29Å; P317-T326 HydrophobicContact CB-CG2 3.8Å; P317-T326 HydrophobicContact CG-CG2 3.93Å; I318-T326 HydrophobicContact CD1-CG2 4.32Å; I318-T326 HydrophobicContact CG1-CG2 3.82Å; I324-T326 HydrophobicContact CG2-CG2 3.79Å; T326-F392 CarbonylContact O-C 3.57Å; T326-F392 VanDerWaalsContact O-CA 3.32Å; T326-F392 WeakPolarHBondContact O-CA 3.1Å; T326-A393 PolarHBondContact N-O 3.38Å; T326-A393 PolarHBondContact O-N 3Å; T326-L431 CarbonylContact C-O 3.45Å; T326-L431 VanDerWaalsContact CA-O 3.31Å; T326-L431 WeakPolarHBondContact CA-O 3.46Å; T326-V433 HydrophobicContact CG2-CG2 4.08Å
327V98.9Very high98.6Very high1 Ų118.8 Ų18.81%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-129.2127.8-179.9174.40000108M387 F392 L430 L431 F432 V433V327-M387 HydrophobicContact CG2-CB 3.82Å; V327-M387 HydrophobicContact CG2-CE 4.46Å; V327-F392 HydrophobicContact CG2-CB 3.89Å; V327-L430 HydrophobicContact CG2-CD1 3.78Å; V327-L431 PolarHBondContact N-O 3.27Å; V327-F432 HydrophobicContact CB-CD1 3.62Å; V327-F432 HydrophobicContact CB-CE1 3.75Å; V327-F432 HydrophobicContact CG1-CD1 3.89Å; V327-F432 HydrophobicContact CG1-CE1 3.65Å; V327-F432 HydrophobicContact CG1-CZ 4.23Å; V327-F432 HydrophobicContact CG2-CD1 4.25Å; V327-F432 HydrophobicContact CG2-CE1 4.07Å; V327-F432 WeakPolarHBondContact O-CA 3.45Å; V327-V433 PolarHBondContact O-N 2.88Å
328P98.8Very high98.5Very high2 Ų218 Ų181%0.0139%0.093CC..EExtended strand (participates in β ladder)trans-68155.917131.4-34.8000109.9L314 I330 L391 S436 V438L314-P328 HydrophobicContact CD1-CB 4.35Å; P328-I330 PolarHBondContact O-N 3.43Å; P328-L391 HydrophobicContact CG-CB 4.07Å; P328-S436 CarbonylContact C-O 3.58Å; P328-S436 VanDerWaalsContact CA-O 3.29Å; P328-S436 WeakPolarHBondContact CA-O 3.5Å; P328-S436 WeakPolarHBondContact CB-O 3.23Å; P328-V438 HydrophobicContact CB-CB 4.46Å; P328-V438 HydrophobicContact CB-CG2 3.84Å; P328-V438 HydrophobicContact CG-CB 4.25Å; P328-V438 HydrophobicContact CG-CG2 3.74Å
329L98.6Very high98.5Very high13 Ų1319.7 Ų19.77%0.06810%0.101CC..EExtended strand (participates in β ladder)trans-66.6128.5165.1-61.8-171.4000109.4Y351 Y382 F432 P434 S436 R437 V438L329-Y351 HydrophobicContact CD1-CD1 3.73Å; L329-Y351 HydrophobicContact CD1-CE1 3.79Å; L329-Y382 WeakPolarHBondContact CD2-OH 3.25Å; L329-F432 HydrophobicContact CD2-CB 4.12Å; L329-F432 HydrophobicContact CD2-CD2 3.96Å; L329-F432 HydrophobicContact CD2-CG 4.4Å; L329-P434 HydrophobicContact CD1-CB 4.37Å; L329-S436 PolarHBondContact N-O 3.44Å; L329-R437 HydrophobicContact CB-CG 4.39Å; L329-R437 VanDerWaalsContact CD1-NH1 3.33Å; L329-R437 WeakPolarHBondContact O-CA 3.34Å; L329-V438 PolarHBondContact O-N 2.98Å
330I98.4Very high98.5Very high22 Ų2220.1 Ų20.111%0.11310%0.104CC..EExtended strand (participates in β ladder)trans-92.1118.4-176.4-46.6-171.7000108.1P328 Q343 A388 L391 V438 H440P328-I330 PolarHBondContact O-N 3.43Å; I330-Q343 WeakPolarHBondContact O-CG 3.25Å; I330-Q343 PolarHBondContact O-OE1 2.93Å; I330-A388 HydrophobicContact CD1-CB 3.99Å; I330-L391 HydrophobicContact CB-CD1 4.41Å; I330-L391 HydrophobicContact CD1-CB 4.35Å; I330-L391 HydrophobicContact CD1-CD1 3.86Å; I330-L391 HydrophobicContact CD1-CG 4.1Å; I330-L391 HydrophobicContact CG1-CD1 3.9Å; I330-L391 HydrophobicContact CG2-CD1 3.88Å; I330-V438 WeakPolarHBondContact CA-O 3.25Å; I330-H440 HydrophobicContact CG2-CB 3.66Å
331D98.4Very high98.5Very high5 Ų519.5 Ų19.53%0.02710%0.104CC..EExtended strand (participates in β ladder)trans-96.2155.2175.2-67.9-40.2000110.6L192 I340 P342 R437 V438 G439 H440L192-D331 HydrophobicContact CD1-CB 4.04Å; L192-D331 WeakPolarHBondContact CD1-OD2 3.46Å; D331-I340 HydrophobicContact CB-CG2 3.75Å; D331-P342 WeakPolarHBondContact OD1-CA 3.44Å; D331-R437 IonicContact OD1-CZ 3.49Å; D331-R437 IonicContact OD1-NE 3.98Å; D331-R437 PolarHBondContact OD1-NE 3Å; D331-R437 IonicContact OD1-NH2 3.91Å; D331-R437 PolarHBondContact OD1-NH2 3.4Å; D331-R437 IonicContact OD2-CZ 3.37Å; D331-R437 IonicContact OD2-NE 3.49Å; D331-R437 PolarHBondContact OD2-NE 3.22Å; D331-R437 IonicContact OD2-NH2 3.93Å; D331-V438 PolarHBondContact N-O 3.44Å; D331-G439 CarbonylContact O-C 3.53Å; D331-G439 WeakPolarHBondContact O-CA 3.32Å; D331-H440 PolarHBondContact O-N 2.83Å
332V98.3Very high98.4Very high31 Ų3121.3 Ų21.319%0.18812%0.118CC..EExtended strand (participates in β ladder)trans-89.2116.6178179.20000108.6I340 I341 Q343 Y442V332-I340 WeakPolarHBondContact O-CA 3.48Å; V332-I341 HydrophobicContact CB-CG1 3.84Å; V332-I341 HydrophobicContact CG1-CG1 4.3Å; V332-I341 PolarHBondContact N-O 2.78Å; V332-I341 PolarHBondContact O-N 3.46Å; V332-Q343 HydrophobicContact CG2-CG 3.57Å; V332-Y442 HydrophobicContact CB-CD2 4.23Å; V332-Y442 HydrophobicContact CB-CE2 4.41Å; V332-Y442 HydrophobicContact CG1-CD2 3.77Å; V332-Y442 HydrophobicContact CG1-CE2 4.4Å; V332-Y442 HydrophobicContact CG1-CG 4.48Å; V332-Y442 HydrophobicContact CG2-CD2 4.05Å; V332-Y442 HydrophobicContact CG2-CE2 3.81Å
333I98.7Very high98Very high0 Ų022 Ų220%012%0.121CC..EExtended strand (participates in β ladder)trans-87.4122160.5-50.7175.6000106.7E305 G335 Y338 E339 I340 G439 H440 I441 Y442E305-I333 HydrophobicContact CB-CD1 3.87Å; E305-I333 HydrophobicContact CG-CD1 3.9Å; I333-G335 PolarHBondContact O-N 2.9Å; I333-Y338 HydrophobicContact CG2-CD1 4.15Å; I333-E339 WeakPolarHBondContact CA-O 3.45Å; I333-I340 HydrophobicContact CD1-CD1 4.42Å; I333-I340 HydrophobicContact CG1-CD1 4.16Å; I333-I340 HydrophobicContact CG1-CG1 3.97Å; I333-I340 HydrophobicContact CG1-CG2 4.28Å; I333-I340 HydrophobicContact CG2-CG1 4.47Å; I333-G439 VanDerWaalsContact CD1-C 3.43Å; I333-G439 WeakPolarHBondContact CD1-O 3.43Å; I333-H440 PolarHBondContact N-O 3.21Å; I333-I441 HydrophobicContact CB-CB 4.42Å; I333-I441 HydrophobicContact CB-CG1 3.83Å; I333-I441 HydrophobicContact CD1-CG1 3.99Å; I333-I441 HydrophobicContact CG1-CG1 4.46Å; I333-I441 HydrophobicContact CG2-CG1 3.9Å; I333-I441 WeakPolarHBondContact O-CA 3.32Å; I333-Y442 PolarHBondContact O-N 2.87Å
334N98.3Very high97.4Very high47 Ų4724.1 Ų24.125%0.25115%0.148SC..PPolyproline II helixtrans-64.4118.9178-174-40.2000110N336 T337 Y338 E339N334-N336 PolarHBondContact O-N 3.48Å; N334-N336 VanDerWaalsContact O-N 3.11Å; N334-N336 WeakPolarHBondContact OD1-CB 3.42Å; N334-N336 PolarHBondContact OD1-N 3.34Å; N334-T337 PolarHBondContact ND2-OG1 2.92Å; N334-T337 VanDerWaalsContact ND2-OG1 3.15Å; N334-T337 PolarHBondContact OD1-N 3.33Å; N334-T337 PolarHBondContact OD1-OG1 3.34Å; N334-Y338 VanDerWaalsContact O-CA 3.24Å; N334-Y338 WeakPolarHBondContact O-CA 3.32Å; N334-Y338 PolarHBondContact O-N 3.23Å; N334-E339 HydrophobicContact CB-CG 4.37Å; N334-E339 WeakPolarHBondContact CB-OE1 3.36Å; N334-E339 WeakPolarHBondContact CB-OE2 3.21Å; N334-E339 PolarHBondContact N-O 3.24Å; N334-E339 PolarHBondContact ND2-OE1 2.98Å
335G97.5Very high96.6Very high2 Ų225.6 Ų25.62%0.02117%0.167CC..THydrogen-bonded Turntrans-66.4-10.7-17800000115.3N176 I333N176-G335 WeakPolarHBondContact CB-O 3.09Å; N176-G335 PolarHBondContact N-O 2.99Å; I333-G335 PolarHBondContact O-N 2.9Å
336N97.8Very high96Very high62 Ų6226.6 Ų26.633%0.33218%0.177SC..THydrogen-bonded Turntrans-100.6-45.2176.8-171.342.9000113N176 N334 L444N176-N336 PolarHBondContact ND2-O 3.47Å; N176-N336 VanDerWaalsContact ND2-O 3.12Å; N176-N336 PolarHBondContact ND2-OD1 3.44Å; N334-N336 PolarHBondContact O-N 3.48Å; N334-N336 VanDerWaalsContact O-N 3.11Å; N334-N336 WeakPolarHBondContact OD1-CB 3.42Å; N334-N336 PolarHBondContact OD1-N 3.34Å; N336-L444 HydrophobicContact CB-CD1 3.91Å; N336-L444 HydrophobicContact CB-CD2 4.3Å
337T98.1Very high95.8Very high16 Ų1627.7 Ų27.710%0.09818%0.182CC..THydrogen-bonded Turntrans-118.1-6.1-169.543.30000114.4P155 L156 V157 N334 E339P155-T337 WeakPolarHBondContact CA-O 3.44Å; L156-T337 PolarHBondContact N-O 3.35Å; V157-T337 HydrophobicContact CG2-CG2 4.01Å; N334-T337 PolarHBondContact ND2-OG1 2.92Å; N334-T337 VanDerWaalsContact ND2-OG1 3.15Å; N334-T337 PolarHBondContact OD1-N 3.33Å; N334-T337 PolarHBondContact OD1-OG1 3.34Å; T337-E339 VanDerWaalsContact C-N 3.25Å; T337-E339 VanDerWaalsContact C-OE2 3.29Å; T337-E339 WeakPolarHBondContact CB-OE2 3.41Å; T337-E339 PolarHBondContact O-N 3.26Å; T337-E339 VanDerWaalsContact OG1-CD 3.27Å; T337-E339 PolarHBondContact OG1-OE1 2.86Å; T337-E339 PolarHBondContact OG1-OE2 3.06Å
338Y98.6Very high95.4Very high0 Ų034.6 Ų34.60%022%0.215CC..  trans62.214.3170.7-67.3-98.7000117.1N176 A179 S180 I183 R187 I333 N334 I441N176-Y338 HydrophobicContact CB-CE2 4.41Å; N176-Y338 VanDerWaalsContact O-CE2 3.22Å; N176-Y338 WeakPolarHBondContact O-CE2 3.29Å; N176-Y338 PolarHBondContact O-OH 3.4Å; A179-Y338 HydrophobicContact CB-CD2 4.02Å; A179-Y338 HydrophobicContact CB-CE2 3.91Å; S180-Y338 VanDerWaalsContact CB-CZ 3.49Å; S180-Y338 VanDerWaalsContact CB-OH 3.22Å; S180-Y338 WeakPolarHBondContact CB-OH 3.42Å; S180-Y338 WeakPolarHBondContact OG-CE1 3.32Å; S180-Y338 PolarHBondContact OG-OH 3.39Å; I183-Y338 VanDerWaalsContact CD1-CB 3.47Å; I183-Y338 HydrophobicContact CD1-CD1 4.29Å; I183-Y338 HydrophobicContact CD1-CD2 3.99Å; I183-Y338 HydrophobicContact CD1-CG 3.67Å; R187-Y338 PolarHBondContact NH1-O 2.04Å; R187-Y338 PolarHBondContact NH2-O 3.26Å; I333-Y338 HydrophobicContact CG2-CD1 4.15Å; N334-Y338 VanDerWaalsContact O-CA 3.24Å; N334-Y338 WeakPolarHBondContact O-CA 3.32Å; N334-Y338 PolarHBondContact O-N 3.23Å; Y338-I441 HydrophobicContact CD1-CD1 4.38Å; Y338-I441 HydrophobicContact CE1-CD1 3.73Å
339E98.4Very high95.1Very high36 Ų3636.5 Ų36.517%0.16823%0.225CC..  trans-67.4154.1160.777.2-74.2-178.100111A153 P155 I333 N334 T337 I341A153-E339 WeakPolarHBondContact O-CA 3.25Å; A153-E339 VanDerWaalsContact O-CB 3.31Å; A153-E339 WeakPolarHBondContact O-CB 3.39Å; P155-E339 HydrophobicContact CB-CB 4.15Å; P155-E339 HydrophobicContact CB-CG 4.49Å; I333-E339 WeakPolarHBondContact CA-O 3.45Å; N334-E339 HydrophobicContact CB-CG 4.37Å; N334-E339 WeakPolarHBondContact CB-OE1 3.36Å; N334-E339 WeakPolarHBondContact CB-OE2 3.21Å; N334-E339 PolarHBondContact N-O 3.24Å; N334-E339 PolarHBondContact ND2-OE1 2.98Å; T337-E339 VanDerWaalsContact C-N 3.25Å; T337-E339 VanDerWaalsContact C-OE2 3.29Å; T337-E339 WeakPolarHBondContact CB-OE2 3.41Å; T337-E339 PolarHBondContact O-N 3.26Å; T337-E339 VanDerWaalsContact OG1-CD 3.27Å; T337-E339 PolarHBondContact OG1-OE1 2.86Å; T337-E339 PolarHBondContact OG1-OE2 3.06Å; E339-I341 HydrophobicContact CG-CG2 4.2Å
340I98.7Very high94.8Very high10 Ų1037.5 Ų37.55%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-113.7122.9-179.4-45.6-175.8000109.1A153 V189 N190 L192 D331 V332 I333A153-I340 HydrophobicContact CB-CB 4.2Å; A153-I340 HydrophobicContact CB-CD1 4.17Å; A153-I340 HydrophobicContact CB-CG1 3.75Å; V189-I340 HydrophobicContact CB-CD1 4.13Å; V189-I340 HydrophobicContact CG1-CD1 3.9Å; N190-I340 PolarHBondContact ND2-O 2.88Å; N190-I340 WeakPolarHBondContact OD1-CB 3.37Å; L192-I340 HydrophobicContact CD1-CB 4.5Å; L192-I340 HydrophobicContact CD1-CG2 3.87Å; D331-I340 HydrophobicContact CB-CG2 3.75Å; V332-I340 WeakPolarHBondContact O-CA 3.48Å; I333-I340 HydrophobicContact CD1-CD1 4.42Å; I333-I340 HydrophobicContact CG1-CD1 4.16Å; I333-I340 HydrophobicContact CG1-CG1 3.97Å; I333-I340 HydrophobicContact CG1-CG2 4.28Å; I333-I340 HydrophobicContact CG2-CG1 4.47Å
341I97.6Very high94.8Very high82 Ų8236.7 Ų36.742%0.42123%0.234SC..EExtended strand (participates in β ladder)trans-127.4149.7-179.264176.8000110.5V332 E339V332-I341 HydrophobicContact CB-CG1 3.84Å; V332-I341 HydrophobicContact CG1-CG1 4.3Å; V332-I341 PolarHBondContact N-O 2.78Å; V332-I341 PolarHBondContact O-N 3.46Å; E339-I341 HydrophobicContact CG-CG2 4.2Å
342P96.4Very high94.7Very high72 Ų7236.6 Ų36.647%0.46823%0.234SC..EExtended strand (participates in β ladder)trans-67.6148.6175.329-34.4000111.5D331 G344D331-P342 WeakPolarHBondContact OD1-CA 3.44Å; P342-G344 PolarHBondContact O-N 3.45Å
343Q90.9Very high94.8Very high24 Ų2435.1 Ų35.111%0.11223%0.225CC..PPolyproline II helixtrans-69122.2172.4-77.5-177.9-18.500111.7I330 V332 R364 Y442I330-Q343 WeakPolarHBondContact O-CG 3.25Å; I330-Q343 PolarHBondContact O-OE1 2.93Å; V332-Q343 HydrophobicContact CG2-CG 3.57Å; Q343-R364 PolarHBondContact O-NH2 2.85Å; Q343-R364 VanDerWaalsContact O-NH2 3.09Å; Q343-Y442 PolarHBondContact NE2-OH 3.33Å
344G86.9Confident94.7Very high69 Ų6935.1 Ų35.171%0.71123%0.225SC*.SBendtrans-70.1152.4174.700000113.4P342 R364P342-G344 PolarHBondContact O-N 3.45Å; G344-R364 PolarHBondContact O-NH1 2.87Å
345G81.6Confident94.7Very high44 Ų4432.9 Ų32.945%0.45421%0.213SC..  trans113.210.8179.500000115.4
346G87.1Confident94.8Very high20 Ų2032.8 Ų32.821%0.20621%0.212CC..SBendtrans-87-172.9168.100000113.2Y351G346-Y351 CarbonylContact C-O 3.47Å; G346-Y351 VanDerWaalsContact CA-C 3.47Å; G346-Y351 WeakPolarHBondContact CA-O 3.14Å
347D92.9Very high94.7Very high23 Ų2330.8 Ų30.812%0.12320%0.202CC..SBendtrans-69.4-164.9168.671.5-10.2000112.1D349 G350 Y351 P366 L367 K372D347-D349 PolarHBondContact O-N 3.13Å; D347-D349 PolarHBondContact OD1-N 3.22Å; D347-G350 PolarHBondContact O-N 3.14Å; D347-G350 PolarHBondContact OD1-N 2.69Å; D347-Y351 PolarHBondContact N-O 3.4Å; D347-Y351 WeakPolarHBondContact OD1-CB 3.42Å; D347-Y351 PolarHBondContact OD1-N 3.12Å; D347-P366 HydrophobicContact CB-CB 4.3Å; D347-L367 HydrophobicContact CB-CB 4.38Å; D347-K372 WeakPolarHBondContact OD2-CE 3.34Å; D347-K372 IonicContact OD2-NZ 2.89Å; D347-K372 PolarHBondContact OD2-NZ 3.38Å
348E92.2Very high94.7Very high147 Ų14730.4 Ų30.469%0.68720%0.198SC*.THydrogen-bonded Turntrans-57.6-21.4178.467.7-84.4-163.600114.2K372E348-K372 IonicContact OE1-NZ 3.86Å; E348-K372 PolarHBondContact OE1-NZ 2.72Å; E348-K372 IonicContact OE2-NZ 3.38Å; E348-K372 PolarHBondContact OE2-NZ 3.22Å
349D91.1Very high94.5Very high41 Ų4131.1 Ų31.122%0.21920%0.203CC..THydrogen-bonded Turntrans-101.83.1179.7-60.5-47000112.9D347 Y351 K378D347-D349 PolarHBondContact O-N 3.13Å; D347-D349 PolarHBondContact OD1-N 3.22Å; D349-Y351 VanDerWaalsContact C-N 3.31Å; D349-Y351 HydrophobicContact CB-CD2 3.84Å; D349-Y351 HydrophobicContact CB-CE2 3.88Å; D349-Y351 HydrophobicContact CB-CG 4.38Å; D349-K378 VanDerWaalsContact CG-NZ 3.29Å; D349-K378 WeakPolarHBondContact OD1-CE 3.1Å; D349-K378 IonicContact OD1-NZ 3.32Å; D349-K378 PolarHBondContact OD1-NZ 2.84Å; D349-K378 WeakPolarHBondContact OD2-CE 3.45Å; D349-K378 IonicContact OD2-NZ 2.62Å
350G92.9Very high94.5Very high35 Ų3529.4 Ų29.436%0.36120%0.195SC..SBendtrans75.416.6-175.700000113.8D347D347-G350 PolarHBondContact O-N 3.14Å; D347-G350 PolarHBondContact OD1-N 2.69Å
351Y97.8Very high94.3Very high4 Ų432.1 Ų32.12%0.01621%0.21CC..  trans-84.9121.3175.1-61.1-34.8000111.3L329 G346 D347 D349 L367 K378 Y382 P434L329-Y351 HydrophobicContact CD1-CD1 3.73Å; L329-Y351 HydrophobicContact CD1-CE1 3.79Å; G346-Y351 CarbonylContact C-O 3.47Å; G346-Y351 VanDerWaalsContact CA-C 3.47Å; G346-Y351 WeakPolarHBondContact CA-O 3.14Å; D347-Y351 PolarHBondContact N-O 3.4Å; D347-Y351 WeakPolarHBondContact OD1-CB 3.42Å; D347-Y351 PolarHBondContact OD1-N 3.12Å; D349-Y351 VanDerWaalsContact C-N 3.31Å; D349-Y351 HydrophobicContact CB-CD2 3.84Å; D349-Y351 HydrophobicContact CB-CE2 3.88Å; D349-Y351 HydrophobicContact CB-CG 4.38Å; Y351-L367 HydrophobicContact CD2-CD2 3.99Å; Y351-L367 HydrophobicContact CG-CD2 4.36Å; Y351-L367 WeakPolarHBondContact O-CB 2.81Å; Y351-L367 PolarHBondContact O-N 3.03Å; Y351-K378 HydrophobicContact CE2-CG 4.37Å; Y351-K378 VanDerWaalsContact CE2-O 3.26Å; Y351-K378 WeakPolarHBondContact CE2-O 3.33Å; Y351-K378 PolarHBondContact OH-O 3.21Å; Y351-Y382 HydrophobicContact CD1-CE1 4.11Å; Y351-Y382 AromaticContact CG-CE1 3.95Å; Y351-Y382 HydrophobicContact CG-CE1 3.95Å; Y351-P434 HydrophobicContact CD1-CG 4.46Å; Y351-P434 HydrophobicContact CE1-CB 3.61Å; Y351-P434 HydrophobicContact CE1-CG 3.9Å; Y351-P434 WeakPolarHBondContact OH-CB 3.5Å
352A97.9Very high94.3Very high4 Ų432.6 Ų32.63%0.03321%0.206CC..EExtended strand (participates in β ladder)trans-121.7151.5177.700000110.2R364 V365 Y382 F432A352-R364 HydrophobicContact CB-CB 4.26Å; A352-V365 CarbonylContact C-O 3.51Å; A352-V365 VanDerWaalsContact CA-O 3.27Å; A352-V365 WeakPolarHBondContact CA-O 3.35Å; A352-Y382 PolarHBondContact N-OH 3.41Å; A352-Y382 WeakPolarHBondContact O-CE2 3.32Å; A352-Y382 PolarHBondContact O-OH 2.98Å; A352-F432 VanDerWaalsContact O-CD2 3.29Å; A352-F432 WeakPolarHBondContact O-CD2 3.41Å
353R98.4Very high94.3Very high0 Ų031.6 Ų31.60%019%0.194CC..EExtended strand (participates in β ladder)trans-104.6145.8171.3-58.1167.675.6-144.41.2108.9R364 V365 L367 Y382 R383 I517 D520R353-R364 WeakPolarHBondContact O-CA 3.4Å; R353-V365 HydrophobicContact CB-CG2 4.23Å; R353-V365 PolarHBondContact N-O 2.86Å; R353-V365 PolarHBondContact O-N 2.92Å; R353-L367 HydrophobicContact CG-CD1 4.02Å; R353-Y382 HydrophobicContact CG-CD2 4.2Å; R353-Y382 HydrophobicContact CG-CE2 4Å; R353-R383 PolarHBondContact NE-O 3.31Å; R353-I517 PolarHBondContact NH2-O 2.92Å; R353-D520 IonicContact CZ-OD1 3.71Å; R353-D520 IonicContact CZ-OD2 3.05Å; R353-D520 IonicContact NH1-OD1 2.67Å; R353-D520 PolarHBondContact NH1-OD1 3.33Å; R353-D520 IonicContact NH1-OD2 3.92Å; R353-D520 PolarHBondContact NH1-OD2 2.91Å
354G98.4Very high94.6Very high0 Ų032.9 Ų32.90%020%0.198CC..EExtended strand (participates in β ladder)trans-74.2132.4173.600000111.2S384 P385 A386G354-S384 PolarHBondContact N-OG 2.81Å; G354-P385 WeakPolarHBondContact O-CD 3.3Å; G354-A386 WeakPolarHBondContact CA-O 3.15Å; G354-A386 PolarHBondContact O-N 3.26Å
355A98.4Very high95.1Very high0 Ų029.6 Ų29.60%017%0.165CC..EExtended strand (participates in β ladder)trans-138.1-176-177.400000110.7K363 V365 I521A355-K363 CarbonylContact C-O 3.47Å; A355-K363 HydrophobicContact CB-CB 4.26Å; A355-K363 PolarHBondContact N-O 2.77Å; A355-K363 PolarHBondContact O-N 3.07Å; A355-K363 VanDerWaalsContact O-O 3.14Å; A355-V365 HydrophobicContact CB-CG1 4.03Å; A355-V365 HydrophobicContact CB-CG2 4.09Å; A355-I521 HydrophobicContact CB-CD1 4.3Å; A355-I521 HydrophobicContact CB-CG1 4.21Å
356W98.4Very high95.9Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-145.9160.1171.757.296.2000110.7L361 P385 A386 F417 Y421 W473 F510 F513 M514 A518 I521W356-L361 VanDerWaalsContact CA-O 3.22Å; W356-L361 WeakPolarHBondContact CA-O 3.36Å; W356-P385 HydrophobicContact CH2-CB 4.1Å; W356-P385 HydrophobicContact CZ3-CB 3.78Å; W356-A386 HydrophobicContact CE3-CB 4.03Å; W356-A386 HydrophobicContact CZ3-CB 3.94Å; W356-F417 HydrophobicContact CB-CE1 3.69Å; W356-F417 HydrophobicContact CB-CZ 3.75Å; W356-F417 HydrophobicContact CD2-CE1 4.29Å; W356-F417 HydrophobicContact CE3-CD1 4.08Å; W356-F417 AromaticContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CG-CE1 4.23Å; W356-Y421 HydrophobicContact CE3-CE1 4.45Å; W356-Y421 AromaticContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CZ2-CE1 4Å; W356-Y421 AromaticContact CZ3-CE1 3.96Å; W356-Y421 HydrophobicContact CZ3-CE1 3.96Å; W356-W473 AromaticContact CD1-CH2 3.62Å; W356-W473 AromaticContact CD1-CZ2 3.62Å; W356-W473 HydrophobicContact CG-CZ2 4.48Å; W356-W473 AromaticContact NE1-CH2 3.59Å; W356-W473 AromaticContact NE1-CZ2 3.38Å; W356-F510 AromaticContact CZ2-CZ 3.9Å; W356-F510 HydrophobicContact CZ2-CZ 3.9Å; W356-F513 HydrophobicContact CH2-CD1 4.48Å; W356-F513 AromaticContact CH2-CE1 3.27Å; W356-F513 HydrophobicContact CH2-CE1 3.27Å; W356-F513 AromaticContact CH2-CZ 3.52Å; W356-F513 HydrophobicContact CH2-CZ 3.52Å; W356-F513 AromaticContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CZ 4.46Å; W356-F513 HydrophobicContact CZ3-CE1 4.28Å; W356-F513 HydrophobicContact CZ3-CZ 4.16Å; W356-M514 HydrophobicContact CZ2-SD 3.85Å; W356-A518 HydrophobicContact CH2-CB 4.1Å; W356-I521 HydrophobicContact CD2-CD1 3.91Å; W356-I521 HydrophobicContact CE3-CD1 3.76Å; W356-I521 HydrophobicContact CH2-CD1 3.15Å; W356-I521 HydrophobicContact CZ2-CD1 3.41Å; W356-I521 VanDerWaalsContact CZ2-CD1 3.41Å; W356-I521 HydrophobicContact CZ3-CD1 3.4Å
357D96.6Very high96.4Very high20 Ų2029.2 Ų29.211%0.10715%0.15CC..  trans-90.9171159.863.728.5000110.8S359 M360 L361 K363 Y525D357-S359 PolarHBondContact O-N 2.86Å; D357-S359 WeakPolarHBondContact OD1-CA 3.42Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.19Å; D357-S359 PolarHBondContact OD1-N 2.87Å; D357-M360 WeakPolarHBondContact O-CA 3.32Å; D357-M360 PolarHBondContact O-N 2.84Å; D357-M360 PolarHBondContact OD1-N 3.05Å; D357-L361 PolarHBondContact N-O 3.27Å; D357-L361 VanDerWaalsContact N-O 3.16Å; D357-L361 WeakPolarHBondContact OD1-CB 3.33Å; D357-L361 PolarHBondContact OD1-N 2.97Å; D357-K363 HydrophobicContact CB-CG 4.5Å; D357-K363 WeakPolarHBondContact OD2-CE 3.12Å; D357-K363 IonicContact OD2-NZ 3.62Å; D357-K363 PolarHBondContact OD2-NZ 3.39Å; D357-Y525 HydrophobicContact CB-CD1 4.01Å; D357-Y525 HydrophobicContact CB-CG 4.16Å
358W96.9Very high96.6Very high8 Ų828.8 Ų28.83%0.0315%0.148CC..THydrogen-bonded Turntrans-70.3-1.1-179.2-56.799.1000113.9M360 W473 Y476 Y479 F480 S483 M514 I521 T522 Y525 P526 L527 P528W358-M360 VanDerWaalsContact C-N 3.3Å; W358-W473 HydrophobicContact CE3-CH2 4.26Å; W358-W473 AromaticContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CZ3-CZ3 4.15Å; W358-Y476 AromaticContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CE1 4.02Å; W358-Y476 AromaticContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CE1 4.46Å; W358-Y476 HydrophobicContact CZ3-CG 4.43Å; W358-Y479 HydrophobicContact CE3-CD2 4.35Å; W358-Y479 HydrophobicContact CE3-CG 4.34Å; W358-Y479 HydrophobicContact CZ3-CD2 4.29Å; W358-F480 VanDerWaalsContact O-CA 3.31Å; W358-F480 WeakPolarHBondContact O-CA 3.17Å; W358-S483 WeakPolarHBondContact CB-OG 3.37Å; W358-S483 WeakPolarHBondContact O-CB 3.26Å; W358-S483 PolarHBondContact O-OG 3.36Å; W358-M514 HydrophobicContact CH2-CE 3.74Å; W358-M514 HydrophobicContact CH2-SD 4.23Å; W358-M514 HydrophobicContact CZ2-CE 4.09Å; W358-I521 HydrophobicContact CZ2-CG2 4.42Å; W358-T522 HydrophobicContact CZ2-CG2 3.79Å; W358-Y525 PolarHBondContact NE1-O 2.99Å; W358-P526 PolarHBondContact NE1-O 3.19Å; W358-L527 HydrophobicContact CD2-CD2 4.12Å; W358-L527 HydrophobicContact CE3-CD2 4.4Å; W358-L527 HydrophobicContact CH2-CD2 3.58Å; W358-L527 HydrophobicContact CZ2-CD2 3.24Å; W358-L527 HydrophobicContact CZ2-CG 4.33Å; W358-L527 HydrophobicContact CZ3-CD2 4.15Å; W358-P528 HydrophobicContact CB-CG 3.93Å; W358-P528 VanDerWaalsContact CD1-CD 3.43Å; W358-P528 VanDerWaalsContact CG-CD 3.49Å; W358-P528 HydrophobicContact CG-CG 4.18Å
359S95.7Very high96.9Very high15 Ų1526 Ų2611%0.10514%0.143CC..THydrogen-bonded Turntrans-91.49.1165.3-690000112.7D357 L361 S483 R484D357-S359 PolarHBondContact O-N 2.86Å; D357-S359 WeakPolarHBondContact OD1-CA 3.42Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.19Å; D357-S359 PolarHBondContact OD1-N 2.87Å; S359-L361 PolarHBondContact O-N 3.3Å; S359-S483 WeakPolarHBondContact OG-CB 3.41Å; S359-R484 PolarHBondContact O-NE 3.01Å; S359-R484 PolarHBondContact O-NH2 2.89Å
360M96.9Very high97.2Very high0 Ų028.7 Ų28.70%015%0.154CC..  trans59.529.8-177.5-152.5-179.5-174.600113.5D357 W358 F417 Y421 Y465 V468 V469 W473 F480D357-M360 WeakPolarHBondContact O-CA 3.32Å; D357-M360 PolarHBondContact O-N 2.84Å; D357-M360 PolarHBondContact OD1-N 3.05Å; W358-M360 VanDerWaalsContact C-N 3.3Å; M360-F417 HydrophobicContact CE-CB 3.46Å; M360-F417 VanDerWaalsContact CE-CB 3.46Å; M360-F417 HydrophobicContact CE-CD2 3.7Å; M360-F417 HydrophobicContact CE-CG 3.86Å; M360-F417 HydrophobicContact CG-CD2 3.82Å; M360-F417 HydrophobicContact CG-CE2 4Å; M360-F417 HydrophobicContact CG-CG 4.48Å; M360-F417 VanDerWaalsContact O-CE2 3.26Å; M360-F417 WeakPolarHBondContact O-CE2 3.45Å; M360-F417 HydrophobicContact SD-CD2 4.47Å; M360-Y421 HydrophobicContact CE-CE2 4.16Å; M360-Y465 HydrophobicContact CB-CD1 4.42Å; M360-Y465 HydrophobicContact CB-CD2 4.34Å; M360-Y465 HydrophobicContact CB-CG 4.21Å; M360-Y465 HydrophobicContact CG-CD1 4.2Å; M360-Y465 HydrophobicContact CG-CG 4.39Å; M360-Y465 VanDerWaalsContact SD-CB 3.56Å; M360-Y465 HydrophobicContact SD-CD1 3.54Å; M360-Y465 VanDerWaalsContact SD-CD1 3.54Å; M360-Y465 HydrophobicContact SD-CE1 4.41Å; M360-Y465 HydrophobicContact SD-CG 3.71Å; M360-V468 HydrophobicContact CE-CB 3.54Å; M360-V468 HydrophobicContact CE-CG1 3.33Å; M360-V468 HydrophobicContact CE-CG2 4.14Å; M360-V468 HydrophobicContact SD-CB 4.47Å; M360-V469 HydrophobicContact SD-CG2 4.06Å; M360-W473 HydrophobicContact CG-CZ2 4.27Å; M360-F480 HydrophobicContact CB-CD2 4.25Å; M360-F480 HydrophobicContact CB-CE2 4.07Å
361L96Very high97.4Very high67 Ų6727.1 Ų27.135%0.35114%0.137SC..  trans-89.5134.8173-62.4177.9000109.9W356 D357 S359 K363W356-L361 VanDerWaalsContact CA-O 3.22Å; W356-L361 WeakPolarHBondContact CA-O 3.36Å; D357-L361 PolarHBondContact N-O 3.27Å; D357-L361 VanDerWaalsContact N-O 3.16Å; D357-L361 WeakPolarHBondContact OD1-CB 3.33Å; D357-L361 PolarHBondContact OD1-N 2.97Å; S359-L361 PolarHBondContact O-N 3.3Å; L361-K363 PolarHBondContact O-N 3.18Å
362W96.9Very high97.4Very high92 Ų9229.6 Ų29.635%0.34815%0.148SC..EExtended strand (participates in β ladder)trans-58.6135.4177-179.882.3000112.1R364 A388 F417W362-R364 HydrophobicContact CH2-CG 3.59Å; W362-R364 HydrophobicContact CZ2-CG 3.41Å; W362-R364 VanDerWaalsContact CZ2-CG 3.41Å; W362-R364 HydrophobicContact CZ3-CG 4.25Å; W362-A388 HydrophobicContact CZ2-CB 3.91Å; W362-F417 HydrophobicContact CB-CZ 4.1Å
363K96.3Very high97.4Very high50 Ų5038.1 Ų38.122%0.21718%0.18CC..EExtended strand (participates in β ladder)trans-137.1164.6178.2-64.3-63.9-170.9-78.70109.5A355 D357 L361 Y525A355-K363 CarbonylContact C-O 3.47Å; A355-K363 HydrophobicContact CB-CB 4.26Å; A355-K363 PolarHBondContact N-O 2.77Å; A355-K363 PolarHBondContact O-N 3.07Å; A355-K363 VanDerWaalsContact O-O 3.14Å; D357-K363 HydrophobicContact CB-CG 4.5Å; D357-K363 WeakPolarHBondContact OD2-CE 3.12Å; D357-K363 IonicContact OD2-NZ 3.62Å; D357-K363 PolarHBondContact OD2-NZ 3.39Å; L361-K363 PolarHBondContact O-N 3.18Å; K363-Y525 HydrophobicContact CB-CD2 4.39Å; K363-Y525 HydrophobicContact CB-CE2 3.49Å; K363-Y525 VanDerWaalsContact CB-CE2 3.49Å; K363-Y525 HydrophobicContact CD-CE1 4.01Å; K363-Y525 HydrophobicContact CD-CE2 4.4Å; K363-Y525 WeakPolarHBondContact CD-OH 3.47Å; K363-Y525 HydrophobicContact CG-CD2 4.36Å; K363-Y525 HydrophobicContact CG-CE1 3.95Å; K363-Y525 HydrophobicContact CG-CE2 3.66Å; K363-Y525 VanDerWaalsContact CG-CZ 3.44Å
364R96.9Very high97.3Very high51 Ų5143.5 Ų43.519%0.19221%0.208CC..EExtended strand (participates in β ladder)trans-126.2136.9172-74.6176.761.3-124.510.8108.7Q343 G344 A352 R353 W362Q343-R364 PolarHBondContact O-NH2 2.85Å; Q343-R364 VanDerWaalsContact O-NH2 3.09Å; G344-R364 PolarHBondContact O-NH1 2.87Å; A352-R364 HydrophobicContact CB-CB 4.26Å; R353-R364 WeakPolarHBondContact O-CA 3.4Å; W362-R364 HydrophobicContact CH2-CG 3.59Å; W362-R364 HydrophobicContact CZ2-CG 3.41Å; W362-R364 VanDerWaalsContact CZ2-CG 3.41Å; W362-R364 HydrophobicContact CZ3-CG 4.25Å
365V97.1Very high97.2Very high1 Ų144.9 Ų44.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-124.8150175.1-63.20000109.2A352 R353 A355 D520 H524 Y525A352-V365 CarbonylContact C-O 3.51Å; A352-V365 VanDerWaalsContact CA-O 3.27Å; A352-V365 WeakPolarHBondContact CA-O 3.35Å; R353-V365 HydrophobicContact CB-CG2 4.23Å; R353-V365 PolarHBondContact N-O 2.86Å; R353-V365 PolarHBondContact O-N 2.92Å; A355-V365 HydrophobicContact CB-CG1 4.03Å; A355-V365 HydrophobicContact CB-CG2 4.09Å; V365-D520 WeakPolarHBondContact CG2-OD2 3.21Å; V365-H524 HydrophobicContact CG1-CB 3.82Å; V365-Y525 HydrophobicContact CG1-CE2 3.95Å
366P98.2Very high97.1Very high51 Ų5154.4 Ų54.433%0.33125%0.254SS..EExtended strand (participates in β ladder)trans-57.5151.2177.9-26.235.6000113.2D347 T368D347-P366 HydrophobicContact CB-CB 4.3Å; P366-T368 PolarHBondContact O-N 2.68Å
367L98.3Very high97Very high5 Ų556 Ų563%0.02626%0.264CS..PPolyproline II helixtrans-60.5125.1171.3179.664000110.6D347 Y351 R353 E371 K372 Y382D347-L367 HydrophobicContact CB-CB 4.38Å; Y351-L367 HydrophobicContact CD2-CD2 3.99Å; Y351-L367 HydrophobicContact CG-CD2 4.36Å; Y351-L367 WeakPolarHBondContact O-CB 2.81Å; Y351-L367 PolarHBondContact O-N 3.03Å; R353-L367 HydrophobicContact CG-CD1 4.02Å; L367-E371 HydrophobicContact CD1-CB 3.54Å; L367-E371 HydrophobicContact CD1-CG 4.14Å; L367-E371 HydrophobicContact CG-CB 4.42Å; L367-K372 HydrophobicContact CD2-CG 4Å; L367-K372 HydrophobicContact CG-CG 4.2Å; L367-Y382 HydrophobicContact CD1-CD1 4.48Å; L367-Y382 HydrophobicContact CD1-CD2 3.6Å; L367-Y382 HydrophobicContact CD1-CE2 4.09Å; L367-Y382 HydrophobicContact CD1-CG 3.81Å; L367-Y382 HydrophobicContact CD2-CD1 4.26Å; L367-Y382 HydrophobicContact CD2-CG 4.35Å
368T97.9Very high97Very high14 Ų1458.9 Ų58.99%0.08628%0.276CS..PPolyproline II helixtrans-76.1154-17473.70000112.6P366 Q370 E371 K372 Y519 D520P366-T368 PolarHBondContact O-N 2.68Å; T368-Q370 PolarHBondContact O-N 2.98Å; T368-Q370 PolarHBondContact OG1-N 2.94Å; T368-E371 PolarHBondContact O-N 3.28Å; T368-E371 PolarHBondContact OG1-N 2.7Å; T368-K372 WeakPolarHBondContact O-CG 3.44Å; T368-K372 PolarHBondContact O-N 2.93Å; T368-K372 VanDerWaalsContact O-N 3.16Å; T368-Y519 HydrophobicContact CG2-CE2 3.94Å; T368-Y519 PolarHBondContact OG1-OH 2.87Å; T368-D520 HydrophobicContact CG2-CB 3.79Å; T368-D520 WeakPolarHBondContact CG2-OD2 3.43Å
369P97.5Very high97.1Very high87 Ų8758.6 Ų58.657%0.56528%0.275SS*.Hα-helixtrans-59-27.9171.5-25.634.9000114K372 R373P369-K372 PolarHBondContact O-N 3.14Å; P369-R373 WeakPolarHBondContact O-CG 3.04Å; P369-R373 PolarHBondContact O-N 3.02Å; P369-R373 VanDerWaalsContact O-N 3.11Å
370Q97.3Very high97.2Very high98 Ų9860.1 Ų60.146%0.45828%0.28SS..Hα-helixtrans-68.5-45.9179-39.5-168.513.400110.9T368 K372 R373 L374 Y519T368-Q370 PolarHBondContact O-N 2.98Å; T368-Q370 PolarHBondContact OG1-N 2.94Å; Q370-K372 VanDerWaalsContact C-N 3.3Å; Q370-K372 PolarHBondContact O-N 3.14Å; Q370-R373 PolarHBondContact O-N 2.77Å; Q370-R373 VanDerWaalsContact O-N 3.15Å; Q370-L374 PolarHBondContact O-N 2.67Å; Q370-Y519 HydrophobicContact CB-CE2 4.46Å; Q370-Y519 WeakPolarHBondContact CB-OH 3.45Å; Q370-Y519 HydrophobicContact CG-CE2 4.05Å
371E98Very high97.2Very high3 Ų362 Ų621%0.01429%0.293CS..Hα-helixtrans-62.4-37174.2-73.4-59.5124.900112L367 T368 R373 L374 R375 R383L367-E371 HydrophobicContact CD1-CB 3.54Å; L367-E371 HydrophobicContact CD1-CG 4.14Å; L367-E371 HydrophobicContact CG-CB 4.42Å; T368-E371 PolarHBondContact O-N 3.28Å; T368-E371 PolarHBondContact OG1-N 2.7Å; E371-R373 VanDerWaalsContact C-N 3.32Å; E371-R373 PolarHBondContact O-N 3.25Å; E371-L374 PolarHBondContact O-N 3.15Å; E371-R375 VanDerWaalsContact O-CD 3.28Å; E371-R375 WeakPolarHBondContact O-CD 2.99Å; E371-R375 WeakPolarHBondContact O-CG 3.32Å; E371-R383 IonicContact OE1-CZ 3.17Å; E371-R383 VanDerWaalsContact OE1-CZ 3.23Å; E371-R383 IonicContact OE1-NE 2.74Å; E371-R383 PolarHBondContact OE1-NE 3.41Å; E371-R383 IonicContact OE1-NH2 2.71Å; E371-R383 PolarHBondContact OE1-NH2 3.37Å; E371-R383 VanDerWaalsContact OE2-CB 3.28Å; E371-R383 WeakPolarHBondContact OE2-CB 3.27Å; E371-R383 WeakPolarHBondContact OE2-CG 3.24Å; E371-R383 PolarHBondContact OE2-N 2.8Å; E371-R383 IonicContact OE2-NE 3.81Å; E371-R383 PolarHBondContact OE2-NE 3.49Å
372K97.5Very high97.4Very high56 Ų5659 Ų5924%0.24328%0.276CS..Hα-helixtrans-60.2-40.1174.2-67.7-179.9-177.8-173.20112.1D347 E348 L367 T368 P369 Q370 L374 R375D347-K372 WeakPolarHBondContact OD2-CE 3.34Å; D347-K372 IonicContact OD2-NZ 2.89Å; D347-K372 PolarHBondContact OD2-NZ 3.38Å; E348-K372 IonicContact OE1-NZ 3.86Å; E348-K372 PolarHBondContact OE1-NZ 2.72Å; E348-K372 IonicContact OE2-NZ 3.38Å; E348-K372 PolarHBondContact OE2-NZ 3.22Å; L367-K372 HydrophobicContact CD2-CG 4Å; L367-K372 HydrophobicContact CG-CG 4.2Å; T368-K372 WeakPolarHBondContact O-CG 3.44Å; T368-K372 PolarHBondContact O-N 2.93Å; T368-K372 VanDerWaalsContact O-N 3.16Å; P369-K372 PolarHBondContact O-N 3.14Å; Q370-K372 VanDerWaalsContact C-N 3.3Å; Q370-K372 PolarHBondContact O-N 3.14Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.23Å; K372-R375 PolarHBondContact O-N 3.14Å
373R97.6Very high97.5Very high183 Ų18356.9 Ų56.969%0.69127%0.268SS*.Hα-helixtrans-68.6-26179.6-74.9-171.9-62.7-107.56.2114P369 Q370 E371 R375P369-R373 WeakPolarHBondContact O-CG 3.04Å; P369-R373 PolarHBondContact O-N 3.02Å; P369-R373 VanDerWaalsContact O-N 3.11Å; Q370-R373 PolarHBondContact O-N 2.77Å; Q370-R373 VanDerWaalsContact O-N 3.15Å; E371-R373 VanDerWaalsContact C-N 3.32Å; E371-R373 PolarHBondContact O-N 3.25Å; R373-R375 PolarHBondContact O-N 3.22Å
374L96.5Very high97.6Very high113 Ų11354.5 Ų54.559%0.59226%0.258SS*.Hα-helixtrans-73.5-17.2176.6-64.2177.3000112.6Q370 E371 K372Q370-L374 PolarHBondContact O-N 2.67Å; E371-L374 PolarHBondContact O-N 3.15Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.23Å
375R96.7Very high97.7Very high29 Ų2952 Ų5211%0.10925%0.249CC..  trans-102.6140.4-172.9-65.6162.768.3-131.12.8109.8E371 K372 R373 K378 E380E371-R375 VanDerWaalsContact O-CD 3.28Å; E371-R375 WeakPolarHBondContact O-CD 2.99Å; E371-R375 WeakPolarHBondContact O-CG 3.32Å; K372-R375 PolarHBondContact O-N 3.14Å; R373-R375 PolarHBondContact O-N 3.22Å; R375-K378 VanDerWaalsContact NH2-C 3.3Å; R375-K378 PolarHBondContact NH2-O 3.5Å; R375-E380 WeakPolarHBondContact CA-OE2 3.32Å; R375-E380 VanDerWaalsContact CB-CD 3.48Å; R375-E380 HydrophobicContact CB-CG 3.72Å; R375-E380 HydrophobicContact CG-CG 3.75Å; R375-E380 PolarHBondContact NE-O 3Å; R375-E380 VanDerWaalsContact NE-O 3.15Å; R375-E380 PolarHBondContact NH2-O 3.22Å
376K95.6Very high97.8Very high200 Ų20052 Ų5287%0.8725%0.249SC*.SBendtrans-84.4-27177.9-64.9-179.6-177.8176.80112.3E380K376-E380 WeakPolarHBondContact CA-OE1 3.32Å; K376-E380 PolarHBondContact N-OE1 3.24Å
377T96.8Very high97.8Very high33 Ų3349.6 Ų49.620%0.20223%0.233CC..SBendtrans-130.4161.6-171.665.60000110.2L127 W200 E380L127-T377 HydrophobicContact CD2-CG2 3.87Å; W200-T377 HydrophobicContact CH2-CG2 3.99Å; W200-T377 HydrophobicContact CZ2-CG2 4.15Å; W200-T377 WeakPolarHBondContact CZ2-OG1 3.18Å; T377-E380 WeakPolarHBondContact CA-OE1 3.42Å; T377-E380 PolarHBondContact N-OE1 2.86Å; T377-E380 WeakPolarHBondContact OG1-CB 3.4Å; T377-E380 WeakPolarHBondContact OG1-CG 3.44Å; T377-E380 PolarHBondContact OG1-N 3.42Å; T377-E380 PolarHBondContact OG1-OE1 3.35Å
378K96.7Very high97.7Very high81 Ų8151 Ų5135%0.35225%0.245SC..SBendtrans-76.2-26.6-176.1-171.5-175.2-173.5-1760112.6E196 D349 Y351 R375E196-K378 WeakPolarHBondContact OE2-CB 3.45Å; E196-K378 PolarHBondContact OE2-N 2.02Å; D349-K378 VanDerWaalsContact CG-NZ 3.29Å; D349-K378 WeakPolarHBondContact OD1-CE 3.1Å; D349-K378 IonicContact OD1-NZ 3.32Å; D349-K378 PolarHBondContact OD1-NZ 2.84Å; D349-K378 WeakPolarHBondContact OD2-CE 3.45Å; D349-K378 IonicContact OD2-NZ 2.62Å; Y351-K378 HydrophobicContact CE2-CG 4.37Å; Y351-K378 VanDerWaalsContact CE2-O 3.26Å; Y351-K378 WeakPolarHBondContact CE2-O 3.33Å; Y351-K378 PolarHBondContact OH-O 3.21Å; R375-K378 VanDerWaalsContact NH2-C 3.3Å; R375-K378 PolarHBondContact NH2-O 3.5Å
379T98.1Very high97.3Very high2 Ų250.4 Ų50.41%0.01224%0.242CC..SBendtrans-111.40.2-170.253.10000115.3Q194 E196 W200 P434Q194-T379 HydrophobicContact CB-CG2 3.81Å; Q194-T379 HydrophobicContact CG-CG2 4.37Å; E196-T379 HydrophobicContact CB-CG2 3.92Å; E196-T379 HydrophobicContact CG-CG2 4.37Å; E196-T379 WeakPolarHBondContact CG-OG1 3.5Å; E196-T379 WeakPolarHBondContact OE2-CB 3.13Å; E196-T379 WeakPolarHBondContact OE2-CG2 3.04Å; E196-T379 PolarHBondContact OE2-N 3.14Å; E196-T379 PolarHBondContact OE2-OG1 3.32Å; W200-T379 PolarHBondContact NE1-OG1 3Å; T379-P434 WeakPolarHBondContact O-CG 3.46Å
380E97.6Very high97Very high46 Ų4646.7 Ų46.722%0.21522%0.22CC..SBendtrans-65.6155.917169.2-169.283.700112.2W200 R375 K376 T377W200-E380 HydrophobicContact CH2-CB 4.41Å; W200-E380 HydrophobicContact CZ2-CB 4.39Å; R375-E380 WeakPolarHBondContact CA-OE2 3.32Å; R375-E380 VanDerWaalsContact CB-CD 3.48Å; R375-E380 HydrophobicContact CB-CG 3.72Å; R375-E380 HydrophobicContact CG-CG 3.75Å; R375-E380 PolarHBondContact NE-O 3Å; R375-E380 VanDerWaalsContact NE-O 3.15Å; R375-E380 PolarHBondContact NH2-O 3.22Å; K376-E380 WeakPolarHBondContact CA-OE1 3.32Å; K376-E380 PolarHBondContact N-OE1 3.24Å; T377-E380 WeakPolarHBondContact CA-OE1 3.42Å; T377-E380 PolarHBondContact N-OE1 2.86Å; T377-E380 WeakPolarHBondContact OG1-CB 3.4Å; T377-E380 WeakPolarHBondContact OG1-CG 3.44Å; T377-E380 PolarHBondContact OG1-N 3.42Å; T377-E380 PolarHBondContact OG1-OE1 3.35Å
381P98.8Very high97.1Very high41 Ų4142.1 Ų42.127%0.26620%0.199SC..  trans-55153.3177.6-25.234.5000113.9P317 L431 F432 V433P317-P381 HydrophobicContact CG-CG 3.92Å; P381-L431 HydrophobicContact CB-CB 4.05Å; P381-L431 HydrophobicContact CB-CD1 4.03Å; P381-F432 CarbonylContact C-O 3.29Å; P381-F432 VanDerWaalsContact CA-O 3.24Å; P381-F432 WeakPolarHBondContact CA-O 3.49Å; P381-V433 HydrophobicContact CB-CG2 4.24Å; P381-V433 HydrophobicContact CG-CG1 4.36Å; P381-V433 HydrophobicContact CG-CG2 4.17Å
382Y98.8Very high97.1Very high2 Ų242 Ų421%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-134.5155177.559.4-98.1000112.2L329 Y351 A352 R353 L367 L431 F432 P434L329-Y382 WeakPolarHBondContact CD2-OH 3.25Å; Y351-Y382 HydrophobicContact CD1-CE1 4.11Å; Y351-Y382 AromaticContact CG-CE1 3.95Å; Y351-Y382 HydrophobicContact CG-CE1 3.95Å; A352-Y382 PolarHBondContact N-OH 3.41Å; A352-Y382 WeakPolarHBondContact O-CE2 3.32Å; A352-Y382 PolarHBondContact O-OH 2.98Å; R353-Y382 HydrophobicContact CG-CD2 4.2Å; R353-Y382 HydrophobicContact CG-CE2 4Å; L367-Y382 HydrophobicContact CD1-CD1 4.48Å; L367-Y382 HydrophobicContact CD1-CD2 3.6Å; L367-Y382 HydrophobicContact CD1-CE2 4.09Å; L367-Y382 HydrophobicContact CD1-CG 3.81Å; L367-Y382 HydrophobicContact CD2-CD1 4.26Å; L367-Y382 HydrophobicContact CD2-CG 4.35Å; Y382-L431 CarbonylContact O-C 3.57Å; Y382-L431 VanDerWaalsContact O-CA 3.31Å; Y382-L431 WeakPolarHBondContact O-CA 3.39Å; Y382-F432 HydrophobicContact CD2-CB 4Å; Y382-F432 HydrophobicContact CE1-CB 4.12Å; Y382-F432 HydrophobicContact CE2-CB 3.49Å; Y382-F432 VanDerWaalsContact CE2-CB 3.49Å; Y382-F432 AromaticContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CG 4.05Å; Y382-F432 PolarHBondContact N-O 2.86Å; Y382-F432 PolarHBondContact O-N 3.5Å; Y382-P434 HydrophobicContact CD1-CG 3.96Å; Y382-P434 HydrophobicContact CE1-CG 3.82Å
383R98.8Very high97.2Very high48 Ų4839.4 Ų39.418%0.18119%0.186CC..EExtended strand (participates in β ladder)trans-76.2132.1-175.2-54.4-176-65.7170.33.5111.1R353 E371 W424 L431 E516R353-R383 PolarHBondContact NE-O 3.31Å; E371-R383 IonicContact OE1-CZ 3.17Å; E371-R383 VanDerWaalsContact OE1-CZ 3.23Å; E371-R383 IonicContact OE1-NE 2.74Å; E371-R383 PolarHBondContact OE1-NE 3.41Å; E371-R383 IonicContact OE1-NH2 2.71Å; E371-R383 PolarHBondContact OE1-NH2 3.37Å; E371-R383 VanDerWaalsContact OE2-CB 3.28Å; E371-R383 WeakPolarHBondContact OE2-CB 3.27Å; E371-R383 WeakPolarHBondContact OE2-CG 3.24Å; E371-R383 PolarHBondContact OE2-N 2.8Å; E371-R383 IonicContact OE2-NE 3.81Å; E371-R383 PolarHBondContact OE2-NE 3.49Å; R383-W424 HydrophobicContact CB-CH2 3.82Å; R383-W424 HydrophobicContact CB-CZ2 3.91Å; R383-W424 HydrophobicContact CG-CH2 3.83Å; R383-W424 HydrophobicContact CG-CZ2 4.41Å; R383-L431 HydrophobicContact CB-CD2 4.38Å; R383-L431 HydrophobicContact CG-CD2 3.84Å; R383-E516 IonicContact NH1-OE1 3.52Å
384S98.8Very high97.2Very high0 Ų030.7 Ų30.70%015%0.154CC..  trans-117.5132.3173.1-173.40000110.5G354 A386 W424 L430 F432G354-S384 PolarHBondContact N-OG 2.81Å; S384-A386 VanDerWaalsContact C-N 3.28Å; S384-A386 PolarHBondContact O-N 3.04Å; S384-A386 PolarHBondContact OG-O 3.48Å; S384-W424 PolarHBondContact O-NE1 3.01Å; S384-L430 PolarHBondContact N-O 3.49Å; S384-F432 VanDerWaalsContact CB-CD1 3.5Å
385P98.8Very high97.3Very high0 Ų026.4 Ų26.40%013%0.131CC..SBendtrans-58.5-39.3176.6-26.635.9000113.1G354 W356 W424 F513 A518 I521G354-P385 WeakPolarHBondContact O-CD 3.3Å; W356-P385 HydrophobicContact CH2-CB 4.1Å; W356-P385 HydrophobicContact CZ3-CB 3.78Å; P385-W424 PolarHBondContact O-NE1 3.4Å; P385-F513 HydrophobicContact CB-CZ 4.17Å; P385-A518 HydrophobicContact CB-CB 3.84Å; P385-A518 HydrophobicContact CG-CB 4Å; P385-I521 HydrophobicContact CB-CD1 4.28Å
386A98.8Very high97.4Very high0 Ų027.7 Ų27.70%014%0.135CC..BIsolated β-bridgetrans-140.9162.8177.400000112.7G354 W356 S384 F417 S420G354-A386 WeakPolarHBondContact CA-O 3.15Å; G354-A386 PolarHBondContact O-N 3.26Å; W356-A386 HydrophobicContact CE3-CB 4.03Å; W356-A386 HydrophobicContact CZ3-CB 3.94Å; S384-A386 VanDerWaalsContact C-N 3.28Å; S384-A386 PolarHBondContact O-N 3.04Å; S384-A386 PolarHBondContact OG-O 3.48Å; A386-F417 HydrophobicContact CB-CD1 3.9Å; A386-F417 HydrophobicContact CB-CE1 4.04Å; A386-S420 WeakPolarHBondContact CA-OG 3.22Å
387M98.5Very high97.6Very high0 Ų022.3 Ų22.30%011%0.113CC..  trans-101.2157.6169.863.9177.274.800111.1C325 V327 G389 F392 N416 I419 S420 I423 L430C325-M387 VanDerWaalsContact SG-CE 3.59Å; V327-M387 HydrophobicContact CG2-CB 3.82Å; V327-M387 HydrophobicContact CG2-CE 4.46Å; M387-G389 PolarHBondContact O-N 3.16Å; M387-F392 HydrophobicContact CE-CB 4.31Å; M387-F392 HydrophobicContact CE-CD2 4.44Å; M387-F392 HydrophobicContact CE-CG 4.3Å; M387-F392 HydrophobicContact SD-CB 4.09Å; M387-F392 HydrophobicContact SD-CD1 3.95Å; M387-F392 HydrophobicContact SD-CG 3.97Å; M387-N416 HydrophobicContact CG-CB 4.43Å; M387-N416 PolarHBondContact O-ND2 2.89Å; M387-N416 VanDerWaalsContact O-ND2 3.07Å; M387-I419 HydrophobicContact CE-CG2 3.9Å; M387-I419 HydrophobicContact CG-CG2 4.49Å; M387-I419 HydrophobicContact SD-CG2 3.84Å; M387-S420 PolarHBondContact N-OG 3.48Å; M387-S420 VanDerWaalsContact N-OG 3.13Å; M387-I423 HydrophobicContact CE-CD1 4.21Å; M387-L430 HydrophobicContact CB-CD1 4.42Å; M387-L430 HydrophobicContact CB-CD2 4.05Å; M387-L430 HydrophobicContact CE-CD1 3.45Å; M387-L430 VanDerWaalsContact CE-CD1 3.45Å; M387-L430 HydrophobicContact CE-CD2 4.16Å; M387-L430 HydrophobicContact CE-CG 4.46Å
388A95.9Very high97.7Very high35 Ų3520.7 Ų20.729%0.28910%0.104SC..  trans-66.4-28.9170.200000112I330 W362I330-A388 HydrophobicContact CD1-CB 3.99Å; W362-A388 HydrophobicContact CZ2-CB 3.91Å
389G91.2Very high97.8Very high1 Ų116.9 Ų16.91%0.019%0.087CC..SBendtrans105.5-27.8171.300000115.1R284 M387 N416R284-G389 PolarHBondContact NH1-O 2.92Å; M387-G389 PolarHBondContact O-N 3.16Å; G389-N416 VanDerWaalsContact CA-CB 3.49Å
390G90.8Very high97.8Very high10 Ų1020.1 Ų20.110%0.10310%0.101CC..SBendtrans-60.6-51.7179.800000113.8R284 D301R284-G390 PolarHBondContact NH2-O 3.29Å; D301-G390 WeakPolarHBondContact OD2-CA 3.48Å
391L97.9Very high97.9Very high2 Ų220 Ų201%0.0110%0.1CC..SBendtrans-127.5116.9-162.7-40.2175.5000109.3Y299 L300 D301 C304 P328 I330 V438Y299-L391 WeakPolarHBondContact O-CA 3.05Å; L300-L391 HydrophobicContact CB-CD2 4.34Å; L300-L391 HydrophobicContact CD2-CB 4.47Å; L300-L391 HydrophobicContact CD2-CD2 3.96Å; D301-L391 HydrophobicContact CB-CD2 4.19Å; C304-L391 VanDerWaalsContact SG-CD2 3.51Å; P328-L391 HydrophobicContact CG-CB 4.07Å; I330-L391 HydrophobicContact CB-CD1 4.41Å; I330-L391 HydrophobicContact CD1-CB 4.35Å; I330-L391 HydrophobicContact CD1-CD1 3.86Å; I330-L391 HydrophobicContact CD1-CG 4.1Å; I330-L391 HydrophobicContact CG1-CD1 3.9Å; I330-L391 HydrophobicContact CG2-CD1 3.88Å; L391-V438 HydrophobicContact CD1-CB 4Å; L391-V438 HydrophobicContact CD1-CG1 3.85Å
392F98.9Very high97.9Very high1 Ų118 Ų180%0.0049%0.088CC..EExtended strand (participates in β ladder)trans-161.516317669.2-81.4000111.1I298 Y299 T326 V327 M387 I394 F399 Y405I298-F392 CarbonylContact C-O 3.55Å; I298-F392 WeakPolarHBondContact CA-O 3.42Å; Y299-F392 HydrophobicContact CD2-CD1 4.34Å; Y299-F392 HydrophobicContact CD2-CD2 4.47Å; Y299-F392 AromaticContact CD2-CE1 3.65Å; Y299-F392 HydrophobicContact CD2-CE1 3.65Å; Y299-F392 AromaticContact CD2-CE2 3.82Å; Y299-F392 HydrophobicContact CD2-CE2 3.82Å; Y299-F392 AromaticContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CD2-CZ 3.35Å; Y299-F392 HydrophobicContact CE2-CE1 4.45Å; Y299-F392 HydrophobicContact CE2-CE2 4.24Å; Y299-F392 AromaticContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CE2-CZ 3.79Å; Y299-F392 HydrophobicContact CG-CD1 4.47Å; Y299-F392 AromaticContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CE1 3.85Å; Y299-F392 HydrophobicContact CG-CZ 4.02Å; Y299-F392 PolarHBondContact N-O 3.29Å; Y299-F392 PolarHBondContact O-N 2.77Å; T326-F392 CarbonylContact O-C 3.57Å; T326-F392 VanDerWaalsContact O-CA 3.32Å; T326-F392 WeakPolarHBondContact O-CA 3.1Å; V327-F392 HydrophobicContact CG2-CB 3.89Å; M387-F392 HydrophobicContact CE-CB 4.31Å; M387-F392 HydrophobicContact CE-CD2 4.44Å; M387-F392 HydrophobicContact CE-CG 4.3Å; M387-F392 HydrophobicContact SD-CB 4.09Å; M387-F392 HydrophobicContact SD-CD1 3.95Å; M387-F392 HydrophobicContact SD-CG 3.97Å; F392-I394 HydrophobicContact CD2-CB 4.28Å; F392-I394 HydrophobicContact CD2-CG2 4.13Å; F392-I394 HydrophobicContact CE2-CB 4.25Å; F392-I394 HydrophobicContact CE2-CG2 3.67Å; F392-F399 HydrophobicContact CZ-CE1 4.37Å; F392-F399 HydrophobicContact CZ-CZ 4.26Å; F392-Y405 WeakPolarHBondContact CE1-OH 3.47Å
393A98.9Very high97.8Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-126.5135.5172.700000110.4V296 L297 I298 L314 I318 C325 T326V296-A393 HydrophobicContact CG1-CB 4.02Å; L297-A393 VanDerWaalsContact O-CA 3.25Å; L297-A393 WeakPolarHBondContact O-CA 3Å; I298-A393 HydrophobicContact CB-CB 4.42Å; I298-A393 HydrophobicContact CG1-CB 3.78Å; I298-A393 HydrophobicContact CG2-CB 4.41Å; L314-A393 HydrophobicContact CD1-CB 4.44Å; L314-A393 HydrophobicContact CD2-CB 3.89Å; L314-A393 HydrophobicContact CG-CB 3.89Å; I318-A393 HydrophobicContact CD1-CB 3.75Å; I318-A393 WeakPolarHBondContact CD1-O 3.39Å; C325-A393 WeakPolarHBondContact CA-O 3.45Å; C325-A393 PolarHBondContact SG-O 3.49Å; T326-A393 PolarHBondContact N-O 3.38Å; T326-A393 PolarHBondContact O-N 3Å
394I98.9Very high97.8Very high0 Ų018.3 Ų18.30%010%0.103CC..EExtended strand (participates in β ladder)trans-144.6143.5-179.6-170166.7000109.8V296 L297 C325 F392 R396 F398 F399 L402 I423V296-I394 WeakPolarHBondContact CA-O 3.4Å; V296-I394 WeakPolarHBondContact CG1-O 3.26Å; L297-I394 HydrophobicContact CB-CG2 4.42Å; L297-I394 PolarHBondContact N-O 2.99Å; L297-I394 PolarHBondContact O-N 2.89Å; C325-I394 HydrophobicContact CB-CB 4.5Å; C325-I394 HydrophobicContact CB-CD1 4.29Å; C325-I394 HydrophobicContact CB-CG1 4.36Å; F392-I394 HydrophobicContact CD2-CB 4.28Å; F392-I394 HydrophobicContact CD2-CG2 4.13Å; F392-I394 HydrophobicContact CE2-CB 4.25Å; F392-I394 HydrophobicContact CE2-CG2 3.67Å; I394-R396 PolarHBondContact O-N 2.68Å; I394-F398 HydrophobicContact CD1-CD1 3.72Å; I394-F398 HydrophobicContact CD1-CE1 4.07Å; I394-F398 HydrophobicContact CG1-CD1 3.75Å; I394-F398 HydrophobicContact CG1-CE1 4.43Å; I394-F399 HydrophobicContact CD1-CB 3.97Å; I394-F399 HydrophobicContact CD1-CD2 4.1Å; I394-F399 HydrophobicContact CD1-CG 4.24Å; I394-F399 HydrophobicContact CG1-CB 4.23Å; I394-F399 HydrophobicContact CG2-CB 3.74Å; I394-F399 HydrophobicContact CG2-CD1 3.97Å; I394-F399 HydrophobicContact CG2-CG 3.85Å; I394-L402 HydrophobicContact CD1-CD1 4Å; I394-I423 HydrophobicContact CD1-CD1 4.45Å
395E98.9Very high97.8Very high23 Ų2318.5 Ų18.511%0.10710%0.103CC..EExtended strand (participates in β ladder)trans-59.3132.6172.3-164.5-100.5-141.300109.5I318 R322 E397 F398 F399I318-E395 HydrophobicContact CG2-CB 3.74Å; R322-E395 HydrophobicContact CB-CB 4.26Å; R322-E395 HydrophobicContact CB-CG 4.07Å; R322-E395 IonicContact CZ-OE1 3.82Å; R322-E395 IonicContact CZ-OE2 2.72Å; R322-E395 IonicContact NE-OE1 2.68Å; R322-E395 PolarHBondContact NE-OE1 3.18Å; R322-E395 IonicContact NE-OE2 3.22Å; R322-E395 IonicContact NH2-OE1 3.36Å; R322-E395 PolarHBondContact NH2-OE1 3.29Å; R322-E395 IonicContact NH2-OE2 2.67Å; R322-E395 PolarHBondContact NH2-OE2 3.17Å; R322-E395 WeakPolarHBondContact O-CB 3.24Å; E395-E397 PolarHBondContact O-N 2.81Å; E395-E397 VanDerWaalsContact OE2-CA 3.24Å; E395-E397 WeakPolarHBondContact OE2-CA 2.9Å; E395-E397 VanDerWaalsContact OE2-CB 3.27Å; E395-E397 WeakPolarHBondContact OE2-CB 3.3Å; E395-E397 PolarHBondContact OE2-N 3.46Å; E395-F398 HydrophobicContact CB-CB 4.17Å; E395-F398 PolarHBondContact O-N 3Å; E395-F398 PolarHBondContact OE2-N 2.67Å; E395-F399 PolarHBondContact O-N 3.27Å
396R98.8Very high97.8Very high56 Ų5618.7 Ų18.721%0.21110%0.104CC..Hα-helixtrans-60.8-50.2-167.8-179.4178.1177.3-71.6-7.6111.1A288 A291 Q295 L297 I394 F398 F399 F400A288-R396 PolarHBondContact O-NH2 2.74Å; A291-R396 PolarHBondContact O-NE 2.71Å; Q295-R396 VanDerWaalsContact O-CB 3.3Å; Q295-R396 WeakPolarHBondContact O-CB 3.42Å; Q295-R396 PolarHBondContact O-N 3.44Å; L297-R396 HydrophobicContact CD1-CB 4.37Å; L297-R396 HydrophobicContact CD1-CG 3.98Å; L297-R396 HydrophobicContact CD2-CG 4.29Å; L297-R396 HydrophobicContact CG-CB 4.01Å; L297-R396 HydrophobicContact CG-CG 3.95Å; I394-R396 PolarHBondContact O-N 2.68Å; R396-F398 VanDerWaalsContact C-N 3.3Å; R396-F398 PolarHBondContact O-N 3.42Å; R396-F399 PolarHBondContact O-N 2.78Å; R396-F400 HydrophobicContact CG-CD2 4.09Å; R396-F400 HydrophobicContact CG-CE2 3.9Å; R396-F400 WeakPolarHBondContact O-CD2 3.48Å; R396-F400 PolarHBondContact O-N 3.05Å
397E98.7Very high97.7Very high87 Ų8723.2 Ų23.241%0.40713%0.134SC..Hα-helixtrans-62.4-38.4-179.6-58.4-165.7163.200111.6K116 E395 F399 F400 E401K116-E397 WeakPolarHBondContact CD-OE2 3.32Å; K116-E397 IonicContact NZ-OE1 2.76Å; K116-E397 IonicContact NZ-OE2 3.6Å; K116-E397 PolarHBondContact NZ-OE2 3.25Å; E395-E397 PolarHBondContact O-N 2.81Å; E395-E397 VanDerWaalsContact OE2-CA 3.24Å; E395-E397 WeakPolarHBondContact OE2-CA 2.9Å; E395-E397 VanDerWaalsContact OE2-CB 3.27Å; E395-E397 WeakPolarHBondContact OE2-CB 3.3Å; E395-E397 PolarHBondContact OE2-N 3.46Å; E397-F399 VanDerWaalsContact C-N 3.32Å; E397-F399 PolarHBondContact O-N 3.46Å; E397-F400 CarbonylContact O-C 3.57Å; E397-F400 WeakPolarHBondContact O-CB 3.42Å; E397-F400 PolarHBondContact O-N 3.19Å; E397-F400 VanDerWaalsContact O-N 3.15Å; E397-E401 VanDerWaalsContact O-CG 3.32Å; E397-E401 WeakPolarHBondContact O-CG 3.45Å; E397-E401 PolarHBondContact O-N 3.34Å
398F98.8Very high97.6Very high0 Ų024.5 Ų24.50%015%0.147CC..Hα-helixtrans-63.6-40.8177.9-179.9-130.6000110.5F115 R322 T323 I394 E395 R396 F400 E401 L402F115-F398 HydrophobicContact CD1-CD2 4.35Å; F115-F398 HydrophobicContact CD1-CE2 4.24Å; F115-F398 HydrophobicContact CD2-CD2 4.46Å; F115-F398 AromaticContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CD2-CE2 3.8Å; F115-F398 HydrophobicContact CE1-CE2 4.22Å; F115-F398 AromaticContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CE2-CE2 3.74Å; F115-F398 HydrophobicContact CG-CD2 4.28Å; F115-F398 HydrophobicContact CG-CE2 4.05Å; F115-F398 AromaticContact CZ-CE2 3.98Å; F115-F398 HydrophobicContact CZ-CE2 3.98Å; R322-F398 WeakPolarHBondContact O-CD1 3.18Å; T323-F398 HydrophobicContact CG2-CD2 4.27Å; T323-F398 HydrophobicContact CG2-CE2 4.08Å; T323-F398 HydrophobicContact CG2-CZ 4.39Å; T323-F398 VanDerWaalsContact O-CE1 3.27Å; T323-F398 WeakPolarHBondContact O-CE1 3.45Å; I394-F398 HydrophobicContact CD1-CD1 3.72Å; I394-F398 HydrophobicContact CD1-CE1 4.07Å; I394-F398 HydrophobicContact CG1-CD1 3.75Å; I394-F398 HydrophobicContact CG1-CE1 4.43Å; E395-F398 HydrophobicContact CB-CB 4.17Å; E395-F398 PolarHBondContact O-N 3Å; E395-F398 PolarHBondContact OE2-N 2.67Å; R396-F398 VanDerWaalsContact C-N 3.3Å; R396-F398 PolarHBondContact O-N 3.42Å; F398-F400 VanDerWaalsContact C-N 3.31Å; F398-F400 PolarHBondContact O-N 3.49Å; F398-E401 WeakPolarHBondContact CA-OE2 3.44Å; F398-E401 PolarHBondContact O-N 3.44Å; F398-L402 HydrophobicContact CD1-CD1 4.2Å; F398-L402 HydrophobicContact CD2-CD1 4.44Å; F398-L402 HydrophobicContact CD2-CG 4.2Å; F398-L402 HydrophobicContact CE1-CD1 3.78Å; F398-L402 HydrophobicContact CE1-CG 4.48Å; F398-L402 HydrophobicContact CE2-CD1 4.04Å; F398-L402 HydrophobicContact CE2-CD2 3.89Å; F398-L402 HydrophobicContact CE2-CG 3.85Å; F398-L402 HydrophobicContact CZ-CD1 3.69Å; F398-L402 HydrophobicContact CZ-CD2 4.02Å; F398-L402 HydrophobicContact CZ-CG 4Å; F398-L402 VanDerWaalsContact O-CG 3.3Å; F398-L402 WeakPolarHBondContact O-CG 3.46Å; F398-L402 PolarHBondContact O-N 3.12Å
399F98.8Very high97.6Very high0 Ų022.9 Ų22.90%013%0.134CC..Hα-helixtrans-63.8-37.9175.2-163.8-155.3000112.4A288 L297 Y299 F392 I394 E395 R396 E397 L402 L404 Y405 I419A288-F399 HydrophobicContact CB-CD1 4.44Å; L297-F399 HydrophobicContact CD1-CD1 3.93Å; Y299-F399 HydrophobicContact CE2-CD1 4.32Å; Y299-F399 AromaticContact CE2-CE1 3.84Å; Y299-F399 HydrophobicContact CE2-CE1 3.84Å; F392-F399 HydrophobicContact CZ-CE1 4.37Å; F392-F399 HydrophobicContact CZ-CZ 4.26Å; I394-F399 HydrophobicContact CD1-CB 3.97Å; I394-F399 HydrophobicContact CD1-CD2 4.1Å; I394-F399 HydrophobicContact CD1-CG 4.24Å; I394-F399 HydrophobicContact CG1-CB 4.23Å; I394-F399 HydrophobicContact CG2-CB 3.74Å; I394-F399 HydrophobicContact CG2-CD1 3.97Å; I394-F399 HydrophobicContact CG2-CG 3.85Å; E395-F399 PolarHBondContact O-N 3.27Å; R396-F399 PolarHBondContact O-N 2.78Å; E397-F399 VanDerWaalsContact C-N 3.32Å; E397-F399 PolarHBondContact O-N 3.46Å; F399-L402 PolarHBondContact O-N 2.87Å; F399-L404 HydrophobicContact CB-CD2 4.23Å; F399-L404 HydrophobicContact CD1-CD2 3.53Å; F399-L404 HydrophobicContact CD2-CD2 4.16Å; F399-L404 HydrophobicContact CE1-CD2 3.85Å; F399-L404 HydrophobicContact CE2-CB 4.45Å; F399-L404 HydrophobicContact CE2-CD2 4.43Å; F399-L404 HydrophobicContact CG-CD2 3.7Å; F399-L404 HydrophobicContact CZ-CB 4.45Å; F399-L404 HydrophobicContact CZ-CD2 4.29Å; F399-L404 WeakPolarHBondContact O-CA 3.41Å; F399-L404 PolarHBondContact O-N 3.48Å; F399-Y405 HydrophobicContact CZ-CD2 4.07Å; F399-Y405 AromaticContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CG 4.48Å; F399-I419 HydrophobicContact CD2-CD1 4.02Å; F399-I419 HydrophobicContact CE2-CD1 3.68Å; F399-I419 HydrophobicContact CE2-CG1 4.09Å
400F98.8Very high97.7Very high71 Ų7126.6 Ų26.631%0.31115%0.151SC..Hα-helixtrans-68.1-39.1172.5-80.6-81.4000112.6A288 Q289 R396 E397 F398 L402 G403 L404A288-F400 HydrophobicContact CB-CE2 4.23Å; A288-F400 HydrophobicContact CB-CZ 4.06Å; A288-F400 WeakPolarHBondContact O-CZ 3.47Å; Q289-F400 HydrophobicContact CG-CE1 4.11Å; Q289-F400 HydrophobicContact CG-CZ 4.17Å; R396-F400 HydrophobicContact CG-CD2 4.09Å; R396-F400 HydrophobicContact CG-CE2 3.9Å; R396-F400 WeakPolarHBondContact O-CD2 3.48Å; R396-F400 PolarHBondContact O-N 3.05Å; E397-F400 CarbonylContact O-C 3.57Å; E397-F400 WeakPolarHBondContact O-CB 3.42Å; E397-F400 PolarHBondContact O-N 3.19Å; E397-F400 VanDerWaalsContact O-N 3.15Å; F398-F400 VanDerWaalsContact C-N 3.31Å; F398-F400 PolarHBondContact O-N 3.49Å; F400-L402 VanDerWaalsContact C-N 3.26Å; F400-L402 PolarHBondContact O-N 3Å; F400-G403 WeakPolarHBondContact O-CA 3.3Å; F400-G403 PolarHBondContact O-N 3.36Å; F400-L404 HydrophobicContact CD1-CD1 4.1Å; F400-L404 HydrophobicContact CD1-CD2 4.08Å; F400-L404 HydrophobicContact CD1-CG 4.14Å; F400-L404 HydrophobicContact CD2-CD2 4.38Å; F400-L404 HydrophobicContact CE1-CD1 3.82Å; F400-L404 HydrophobicContact CE1-CD2 4.2Å; F400-L404 HydrophobicContact CE1-CG 4.31Å; F400-L404 HydrophobicContact CE2-CD2 4.45Å; F400-L404 HydrophobicContact CG-CD2 4.17Å; F400-L404 HydrophobicContact CZ-CD1 4.42Å; F400-L404 HydrophobicContact CZ-CD2 4.36Å
401E98.6Very high97.7Very high43 Ų4327.2 Ų27.220%0.20115%0.151CC..Hα-helixtrans-64.1-31.4175.6-72.8174125.900112.1F115 K116 R322 E397 F398 G403 F501F115-E401 HydrophobicContact CD1-CB 3.76Å; F115-E401 HydrophobicContact CD1-CG 4.48Å; F115-E401 HydrophobicContact CE1-CB 4.07Å; K116-E401 VanDerWaalsContact CG-OE1 3.32Å; K116-E401 WeakPolarHBondContact CG-OE1 3.36Å; K116-E401 PolarHBondContact N-OE1 2.86Å; R322-E401 IonicContact CZ-OE2 3.66Å; R322-E401 IonicContact NH1-OE1 3.52Å; R322-E401 IonicContact NH1-OE2 2.83Å; R322-E401 PolarHBondContact NH1-OE2 2.77Å; R322-E401 IonicContact NH2-OE2 3.58Å; R322-E401 PolarHBondContact NH2-OE2 3.36Å; E397-E401 VanDerWaalsContact O-CG 3.32Å; E397-E401 WeakPolarHBondContact O-CG 3.45Å; E397-E401 PolarHBondContact O-N 3.34Å; F398-E401 WeakPolarHBondContact CA-OE2 3.44Å; F398-E401 PolarHBondContact O-N 3.44Å; E401-G403 PolarHBondContact O-N 3.47Å; E401-F501 WeakPolarHBondContact O-CE2 3.4Å
402L98.6Very high97.5Very high0 Ų034 Ų340%018%0.177CC..THydrogen-bonded Turntrans-73.5-1.7170.9-67.7174.8000113.6F115 I394 F398 F399 F400 I419 K422 I423 F501F115-L402 HydrophobicContact CE1-CD2 4.04Å; F115-L402 HydrophobicContact CE2-CD2 4.4Å; F115-L402 HydrophobicContact CZ-CD2 3.58Å; I394-L402 HydrophobicContact CD1-CD1 4Å; F398-L402 HydrophobicContact CD1-CD1 4.2Å; F398-L402 HydrophobicContact CD2-CD1 4.44Å; F398-L402 HydrophobicContact CD2-CG 4.2Å; F398-L402 HydrophobicContact CE1-CD1 3.78Å; F398-L402 HydrophobicContact CE1-CG 4.48Å; F398-L402 HydrophobicContact CE2-CD1 4.04Å; F398-L402 HydrophobicContact CE2-CD2 3.89Å; F398-L402 HydrophobicContact CE2-CG 3.85Å; F398-L402 HydrophobicContact CZ-CD1 3.69Å; F398-L402 HydrophobicContact CZ-CD2 4.02Å; F398-L402 HydrophobicContact CZ-CG 4Å; F398-L402 VanDerWaalsContact O-CG 3.3Å; F398-L402 WeakPolarHBondContact O-CG 3.46Å; F398-L402 PolarHBondContact O-N 3.12Å; F399-L402 PolarHBondContact O-N 2.87Å; F400-L402 VanDerWaalsContact C-N 3.26Å; F400-L402 PolarHBondContact O-N 3Å; L402-I419 HydrophobicContact CB-CD1 4.49Å; L402-I419 HydrophobicContact CD1-CD1 3.9Å; L402-K422 HydrophobicContact CD2-CB 4.41Å; L402-K422 VanDerWaalsContact O-CE 3.23Å; L402-K422 WeakPolarHBondContact O-CE 3.48Å; L402-K422 PolarHBondContact O-NZ 3.29Å; L402-K422 VanDerWaalsContact O-NZ 3.17Å; L402-I423 HydrophobicContact CD1-CG1 3.75Å; L402-F501 HydrophobicContact CD2-CZ 4.41Å
403G98.1Very high97.1Very high41 Ų4134 Ų3442%0.42318%0.177SC..THydrogen-bonded Turntrans7227.4-17500000113.6F400 E401F400-G403 WeakPolarHBondContact O-CA 3.3Å; F400-G403 PolarHBondContact O-N 3.36Å; E401-G403 PolarHBondContact O-N 3.47Å
404L98.3Very high96.9Very high15 Ų1534 Ų348%0.07918%0.177CC..SBendtrans50.6-144-174.9-56.4174.7000111.4A288 F399 F400 K422A288-L404 HydrophobicContact CB-CD1 4.49Å; A288-L404 HydrophobicContact CB-CD2 3.88Å; F399-L404 HydrophobicContact CB-CD2 4.23Å; F399-L404 HydrophobicContact CD1-CD2 3.53Å; F399-L404 HydrophobicContact CD2-CD2 4.16Å; F399-L404 HydrophobicContact CE1-CD2 3.85Å; F399-L404 HydrophobicContact CE2-CB 4.45Å; F399-L404 HydrophobicContact CE2-CD2 4.43Å; F399-L404 HydrophobicContact CG-CD2 3.7Å; F399-L404 HydrophobicContact CZ-CB 4.45Å; F399-L404 HydrophobicContact CZ-CD2 4.29Å; F399-L404 WeakPolarHBondContact O-CA 3.41Å; F399-L404 PolarHBondContact O-N 3.48Å; F400-L404 HydrophobicContact CD1-CD1 4.1Å; F400-L404 HydrophobicContact CD1-CD2 4.08Å; F400-L404 HydrophobicContact CD1-CG 4.14Å; F400-L404 HydrophobicContact CD2-CD2 4.38Å; F400-L404 HydrophobicContact CE1-CD1 3.82Å; F400-L404 HydrophobicContact CE1-CD2 4.2Å; F400-L404 HydrophobicContact CE1-CG 4.31Å; F400-L404 HydrophobicContact CE2-CD2 4.45Å; F400-L404 HydrophobicContact CG-CD2 4.17Å; F400-L404 HydrophobicContact CZ-CD1 4.42Å; F400-L404 HydrophobicContact CZ-CD2 4.36Å; L404-K422 PolarHBondContact O-NZ 2.77Å
405Y98.5Very high96.9Very high3 Ų334.3 Ų34.31%0.01218%0.179CC..SBendtrans-79.8149.4165.6-69.8-59.5000111.2I281 R284 F392 F399 E415 I419I281-Y405 HydrophobicContact CG2-CD1 4.48Å; I281-Y405 HydrophobicContact CG2-CD2 3.97Å; I281-Y405 HydrophobicContact CG2-CG 3.83Å; R284-Y405 HydrophobicContact CB-CD2 4.39Å; R284-Y405 HydrophobicContact CB-CE2 4.01Å; F392-Y405 WeakPolarHBondContact CE1-OH 3.47Å; F399-Y405 HydrophobicContact CZ-CD2 4.07Å; F399-Y405 AromaticContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CE2 3.97Å; F399-Y405 HydrophobicContact CZ-CG 4.48Å; Y405-E415 HydrophobicContact CD1-CB 3.85Å; Y405-E415 HydrophobicContact CD1-CG 4.49Å; Y405-E415 HydrophobicContact CE1-CB 3.8Å; Y405-E415 HydrophobicContact CE1-CG 4.01Å; Y405-E415 WeakPolarHBondContact CE1-O 3.37Å; Y405-E415 HydrophobicContact CG-CB 4.46Å; Y405-I419 HydrophobicContact CD1-CB 4.26Å; Y405-I419 HydrophobicContact CE1-CB 3.78Å; Y405-I419 HydrophobicContact CE1-CG1 4.45Å; Y405-I419 HydrophobicContact CE1-CG2 3.82Å
406D98.4Very high96.9Very high4 Ų433.7 Ų33.72%0.02118%0.176CC..  trans-50.8120.7169.1162.923.3000111.1Q282 G408 L409 E418 R467 L498Q282-D406 PolarHBondContact NE2-O 2.98Å; Q282-D406 VanDerWaalsContact NE2-O 3.11Å; D406-G408 PolarHBondContact O-N 2.89Å; D406-G408 WeakPolarHBondContact OD1-CA 3.45Å; D406-G408 PolarHBondContact OD1-N 2.88Å; D406-L409 HydrophobicContact CB-CD1 3.93Å; D406-L409 HydrophobicContact CB-CG 3.74Å; D406-L409 WeakPolarHBondContact O-CB 3.22Å; D406-L409 PolarHBondContact O-N 2.97Å; D406-L409 VanDerWaalsContact O-N 3.09Å; D406-L409 WeakPolarHBondContact OD2-CG 3.3Å; D406-E418 HydrophobicContact CB-CG 4.43Å; D406-R467 IonicContact OD1-CZ 3.64Å; D406-R467 IonicContact OD1-NE 2.81Å; D406-R467 IonicContact OD1-NH2 3.69Å; D406-R467 PolarHBondContact OD1-NH2 3.24Å; D406-R467 IonicContact OD2-CZ 2.86Å; D406-R467 IonicContact OD2-NE 3.11Å; D406-R467 PolarHBondContact OD2-NE 2.72Å; D406-R467 IonicContact OD2-NH2 3.33Å; D406-R467 PolarHBondContact OD2-NH2 2.86Å; D406-R467 VanDerWaalsContact OD2-NH2 3.11Å; D406-L498 HydrophobicContact CB-CD1 4.11Å; D406-L498 HydrophobicContact CB-CD2 3.79Å; D406-L498 VanDerWaalsContact CG-CD1 3.42Å; D406-L498 WeakPolarHBondContact OD1-CD1 3.47Å
407P97.5Very high96.9Very high96 Ų9631.1 Ų31.162%0.62317%0.167SC*.THydrogen-bonded Turntrans-67.1-16.2-177.328.3-35.9000113.4Q282Q282-P407 PolarHBondContact NE2-O 3.25Å
408G96.4Very high96.9Very high27 Ų2727 Ų2728%0.27815%0.147SC..THydrogen-bonded Turntrans-82-9.3174.500000114.4D406D406-G408 PolarHBondContact O-N 2.89Å; D406-G408 WeakPolarHBondContact OD1-CA 3.45Å; D406-G408 PolarHBondContact OD1-N 2.88Å
409L96.2Very high96.9Very high1 Ų127 Ų271%0.00515%0.147CC..  trans-74.7129.2175.7-58.6177.3000110.9I281 Q282 D406 E415 E418 N464 R467 V468I281-L409 HydrophobicContact CD1-CB 3.74Å; I281-L409 HydrophobicContact CG2-CB 4.06Å; I281-L409 HydrophobicContact CG2-CD1 4.37Å; Q282-L409 PolarHBondContact NE2-O 3.46Å; D406-L409 HydrophobicContact CB-CD1 3.93Å; D406-L409 HydrophobicContact CB-CG 3.74Å; D406-L409 WeakPolarHBondContact O-CB 3.22Å; D406-L409 PolarHBondContact O-N 2.97Å; D406-L409 VanDerWaalsContact O-N 3.09Å; D406-L409 WeakPolarHBondContact OD2-CG 3.3Å; L409-E415 HydrophobicContact CD1-CB 3.94Å; L409-E418 HydrophobicContact CD1-CB 4.27Å; L409-E418 HydrophobicContact CD1-CG 4.28Å; L409-N464 WeakPolarHBondContact CA-OD1 3.39Å; L409-N464 HydrophobicContact CD2-CB 3.69Å; L409-R467 HydrophobicContact CD2-CB 4.37Å; L409-V468 HydrophobicContact CD2-CG2 4.19Å
410Q93.1Very high96.9Very high78 Ų7827 Ų2736%0.36415%0.147SC..  trans-109.7136.1-172.6-62.8-175.1-31.200112.3W412 P460 N464Q410-W412 VanDerWaalsContact C-N 3.31Å; Q410-W412 PolarHBondContact O-N 3.5Å; Q410-P460 HydrophobicContact CB-CB 3.91Å; Q410-N464 PolarHBondContact N-ND2 3.46Å; Q410-N464 PolarHBondContact N-OD1 2.79Å; Q410-N464 PolarHBondContact O-ND2 2.88Å
411I91.2Very high96.9Very high24 Ų2423.7 Ų23.712%0.12313%0.133CC..BIsolated β-bridgetrans58.5-74.8170.6-54.2-59.9000115.3L280 P453 V456L280-I411 WeakPolarHBondContact CB-O 3.38Å; L280-I411 PolarHBondContact N-O 3.43Å; I411-P453 HydrophobicContact CD1-CG 3.81Å; I411-V456 HydrophobicContact CD1-CG2 4.24Å; I411-V456 HydrophobicContact CG1-CG1 4.28Å; I411-V456 HydrophobicContact CG1-CG2 4.09Å
412W92.3Very high96.9Very high145 Ų14521.8 Ų21.855%0.54912%0.124SC..SBendtrans-159.8144.6-171.4-174.585.9000112Q410 T461 N464Q410-W412 VanDerWaalsContact C-N 3.31Å; Q410-W412 PolarHBondContact O-N 3.5Å; W412-T461 HydrophobicContact CE3-CG2 4.19Å; W412-T461 HydrophobicContact CZ3-CG2 4.22Å; W412-T461 WeakPolarHBondContact O-CB 3.35Å; W412-T461 PolarHBondContact O-OG1 3.09Å; W412-N464 PolarHBondContact O-ND2 2.88Å
413G92.2Very high96.9Very high1 Ų121.8 Ų21.81%0.0112%0.124CC..SBendtrans95.6139.617000000112.5E415 N464G413-E415 VanDerWaalsContact C-N 3.26Å; G413-E415 WeakPolarHBondContact CA-OE2 3.38Å; G413-E415 PolarHBondContact N-OE2 2.73Å; G413-E415 PolarHBondContact O-N 2.89Å; G413-N464 WeakPolarHBondContact O-CB 3.49Å; G413-N464 PolarHBondContact O-ND2 3.48Å
414G94.7Very high96.9Very high0 Ų020.2 Ų20.20%011%0.105CC..SBendtrans89-24.1178.100000113.5N416 F417 E418G414-N416 VanDerWaalsContact C-N 3.32Å; G414-N416 PolarHBondContact O-N 2.86Å; G414-F417 PolarHBondContact O-N 3.11Å; G414-E418 WeakPolarHBondContact O-CB 3.49Å; G414-E418 PolarHBondContact O-N 2.64Å
415E97.9Very high96.9Very high5 Ų519.6 Ų19.62%0.02310%0.102CC..Hα-helixtrans-64.5-36.8-177.979.6-71177.400112.7I281 R284 Y405 L409 G413 F417 E418 I419I281-E415 HydrophobicContact CB-CB 4.41Å; I281-E415 HydrophobicContact CD1-CB 3.88Å; I281-E415 HydrophobicContact CD1-CG 4.29Å; I281-E415 HydrophobicContact CG1-CB 3.83Å; I281-E415 HydrophobicContact CG1-CG 3.83Å; I281-E415 HydrophobicContact CG2-CB 3.77Å; I281-E415 HydrophobicContact CG2-CG 4.32Å; R284-E415 IonicContact NH1-OE1 3.62Å; Y405-E415 HydrophobicContact CD1-CB 3.85Å; Y405-E415 HydrophobicContact CD1-CG 4.49Å; Y405-E415 HydrophobicContact CE1-CB 3.8Å; Y405-E415 HydrophobicContact CE1-CG 4.01Å; Y405-E415 WeakPolarHBondContact CE1-O 3.37Å; Y405-E415 HydrophobicContact CG-CB 4.46Å; L409-E415 HydrophobicContact CD1-CB 3.94Å; G413-E415 VanDerWaalsContact C-N 3.26Å; G413-E415 WeakPolarHBondContact CA-OE2 3.38Å; G413-E415 PolarHBondContact N-OE2 2.73Å; G413-E415 PolarHBondContact O-N 2.89Å; E415-F417 VanDerWaalsContact C-N 3.28Å; E415-F417 PolarHBondContact O-N 2.92Å; E415-E418 PolarHBondContact O-N 3.01Å; E415-I419 WeakPolarHBondContact O-CG2 3.49Å; E415-I419 PolarHBondContact O-N 2.87Å; E415-I419 VanDerWaalsContact O-N 3.12Å
416N98.3Very high96.9Very high11 Ų1120.2 Ų20.26%0.05911%0.106CC..Hα-helixtrans-65.2-35.5-179.767.4-62.1000111.4M387 G389 G414 S420M387-N416 HydrophobicContact CG-CB 4.43Å; M387-N416 PolarHBondContact O-ND2 2.89Å; M387-N416 VanDerWaalsContact O-ND2 3.07Å; G389-N416 VanDerWaalsContact CA-CB 3.49Å; G414-N416 VanDerWaalsContact C-N 3.32Å; G414-N416 PolarHBondContact O-N 2.86Å; N416-S420 WeakPolarHBondContact O-CB 3.39Å; N416-S420 PolarHBondContact O-N 3.09Å; N416-S420 PolarHBondContact O-OG 3.47Å
417F98.8Very high96.9Very high2 Ų222.2 Ų22.21%0.00913%0.128CC..Hα-helixtrans-77.4-44175.9-65.4-59.9000111.7W356 M360 W362 A386 G414 E415 I419 S420 Y421W356-F417 HydrophobicContact CB-CE1 3.69Å; W356-F417 HydrophobicContact CB-CZ 3.75Å; W356-F417 HydrophobicContact CD2-CE1 4.29Å; W356-F417 HydrophobicContact CE3-CD1 4.08Å; W356-F417 AromaticContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CE3-CE1 3.91Å; W356-F417 HydrophobicContact CG-CE1 4.23Å; M360-F417 HydrophobicContact CE-CB 3.46Å; M360-F417 VanDerWaalsContact CE-CB 3.46Å; M360-F417 HydrophobicContact CE-CD2 3.7Å; M360-F417 HydrophobicContact CE-CG 3.86Å; M360-F417 HydrophobicContact CG-CD2 3.82Å; M360-F417 HydrophobicContact CG-CE2 4Å; M360-F417 HydrophobicContact CG-CG 4.48Å; M360-F417 VanDerWaalsContact O-CE2 3.26Å; M360-F417 WeakPolarHBondContact O-CE2 3.45Å; M360-F417 HydrophobicContact SD-CD2 4.47Å; W362-F417 HydrophobicContact CB-CZ 4.1Å; A386-F417 HydrophobicContact CB-CD1 3.9Å; A386-F417 HydrophobicContact CB-CE1 4.04Å; G414-F417 PolarHBondContact O-N 3.11Å; E415-F417 VanDerWaalsContact C-N 3.28Å; E415-F417 PolarHBondContact O-N 2.92Å; F417-I419 PolarHBondContact O-N 2.79Å; F417-S420 WeakPolarHBondContact O-CB 3.36Å; F417-S420 PolarHBondContact O-N 3.42Å; F417-Y421 HydrophobicContact CB-CD2 4.33Å; F417-Y421 HydrophobicContact CB-CE2 3.62Å; F417-Y421 WeakPolarHBondContact O-CD2 3.37Å; F417-Y421 PolarHBondContact O-N 3.07Å
418E98.8Very high97Very high1 Ų117.8 Ų17.81%0.00510%0.1CC..Hα-helixtrans-52.3-51.9178.6-166.7-92.7170.700112D406 L409 G414 E415 S420 Y421 K422 V468D406-E418 HydrophobicContact CB-CG 4.43Å; L409-E418 HydrophobicContact CD1-CB 4.27Å; L409-E418 HydrophobicContact CD1-CG 4.28Å; G414-E418 WeakPolarHBondContact O-CB 3.49Å; G414-E418 PolarHBondContact O-N 2.64Å; E415-E418 PolarHBondContact O-N 3.01Å; E418-S420 VanDerWaalsContact C-N 3.33Å; E418-S420 PolarHBondContact O-N 3.13Å; E418-Y421 PolarHBondContact O-N 3.41Å; E418-K422 PolarHBondContact O-N 2.93Å; E418-K422 VanDerWaalsContact OE1-CD 3.3Å; E418-K422 WeakPolarHBondContact OE1-CD 3.39Å; E418-K422 WeakPolarHBondContact OE1-CE 3.42Å; E418-K422 IonicContact OE1-NZ 3.74Å; E418-K422 PolarHBondContact OE1-NZ 2.78Å; E418-K422 IonicContact OE2-NZ 2.65Å; E418-V468 HydrophobicContact CB-CG1 4.18Å; E418-V468 HydrophobicContact CB-CG2 3.7Å; E418-V468 HydrophobicContact CG-CG2 3.96Å
419I98.8Very high97.1Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-68.3-34.1178.7-166.254.3000112.3M387 F399 L402 Y405 E415 F417 Y421 K422 I423M387-I419 HydrophobicContact CE-CG2 3.9Å; M387-I419 HydrophobicContact CG-CG2 4.49Å; M387-I419 HydrophobicContact SD-CG2 3.84Å; F399-I419 HydrophobicContact CD2-CD1 4.02Å; F399-I419 HydrophobicContact CE2-CD1 3.68Å; F399-I419 HydrophobicContact CE2-CG1 4.09Å; L402-I419 HydrophobicContact CB-CD1 4.49Å; L402-I419 HydrophobicContact CD1-CD1 3.9Å; Y405-I419 HydrophobicContact CD1-CB 4.26Å; Y405-I419 HydrophobicContact CE1-CB 3.78Å; Y405-I419 HydrophobicContact CE1-CG1 4.45Å; Y405-I419 HydrophobicContact CE1-CG2 3.82Å; E415-I419 WeakPolarHBondContact O-CG2 3.49Å; E415-I419 PolarHBondContact O-N 2.87Å; E415-I419 VanDerWaalsContact O-N 3.12Å; F417-I419 PolarHBondContact O-N 2.79Å; I419-Y421 PolarHBondContact O-N 2.89Å; I419-K422 HydrophobicContact CD1-CB 4.36Å; I419-K422 HydrophobicContact CD1-CD 4.19Å; I419-K422 PolarHBondContact O-N 3.16Å; I419-I423 HydrophobicContact CD1-CD1 4.32Å; I419-I423 HydrophobicContact CD1-CG1 4.35Å; I419-I423 HydrophobicContact CG1-CD1 3.85Å; I419-I423 HydrophobicContact CG1-CG1 4.38Å; I419-I423 WeakPolarHBondContact O-CB 3.41Å; I419-I423 VanDerWaalsContact O-CD1 3.32Å; I419-I423 WeakPolarHBondContact O-CD1 3.48Å; I419-I423 WeakPolarHBondContact O-CG1 3.16Å; I419-I423 PolarHBondContact O-N 3.45Å
420S98.9Very high97.2Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-63.1-43.4176.8-60.90000111.3A386 M387 N416 F417 E418 W424A386-S420 WeakPolarHBondContact CA-OG 3.22Å; M387-S420 PolarHBondContact N-OG 3.48Å; M387-S420 VanDerWaalsContact N-OG 3.13Å; N416-S420 WeakPolarHBondContact O-CB 3.39Å; N416-S420 PolarHBondContact O-N 3.09Å; N416-S420 PolarHBondContact O-OG 3.47Å; F417-S420 WeakPolarHBondContact O-CB 3.36Å; F417-S420 PolarHBondContact O-N 3.42Å; E418-S420 VanDerWaalsContact C-N 3.33Å; E418-S420 PolarHBondContact O-N 3.13Å; S420-W424 VanDerWaalsContact O-CD1 3.29Å; S420-W424 PolarHBondContact O-N 2.71Å; S420-W424 VanDerWaalsContact O-N 3.09Å
421Y98.9Very high97.5Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-68.6-44178.1-59.1-31.2000112W356 M360 F417 E418 I419 I423 W424 Q425 V468 W472 W473 F510 F513W356-Y421 HydrophobicContact CE3-CE1 4.45Å; W356-Y421 AromaticContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CH2-CE1 3.78Å; W356-Y421 HydrophobicContact CZ2-CE1 4Å; W356-Y421 AromaticContact CZ3-CE1 3.96Å; W356-Y421 HydrophobicContact CZ3-CE1 3.96Å; M360-Y421 HydrophobicContact CE-CE2 4.16Å; F417-Y421 HydrophobicContact CB-CD2 4.33Å; F417-Y421 HydrophobicContact CB-CE2 3.62Å; F417-Y421 WeakPolarHBondContact O-CD2 3.37Å; F417-Y421 PolarHBondContact O-N 3.07Å; E418-Y421 PolarHBondContact O-N 3.41Å; I419-Y421 PolarHBondContact O-N 2.89Å; Y421-I423 PolarHBondContact O-N 2.83Å; Y421-W424 PolarHBondContact O-N 3.39Å; Y421-Q425 VanDerWaalsContact O-CB 3.25Å; Y421-Q425 WeakPolarHBondContact O-CB 3.45Å; Y421-Q425 WeakPolarHBondContact O-CG 3.49Å; Y421-Q425 PolarHBondContact O-N 3.02Å; Y421-V468 HydrophobicContact CD2-CG1 3.7Å; Y421-V468 HydrophobicContact CE2-CG1 3.73Å; Y421-W472 HydrophobicContact CD2-CB 3.92Å; Y421-W472 HydrophobicContact CD2-CG 4.29Å; Y421-W472 HydrophobicContact CG-CB 4.32Å; Y421-W473 AromaticContact CD2-NE1 3.92Å; Y421-W473 AromaticContact CE2-CD1 3.89Å; Y421-W473 AromaticContact CE2-NE1 3.11Å; Y421-W473 AromaticContact CZ-NE1 3.34Å; Y421-W473 VanDerWaalsContact CZ-NE1 3.34Å; Y421-W473 PolarHBondContact OH-NE1 3.35Å; Y421-F510 HydrophobicContact CD1-CE2 4.07Å; Y421-F510 AromaticContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CZ 4.5Å; Y421-F513 HydrophobicContact CD1-CD1 4.42Å; Y421-F513 AromaticContact CD1-CE1 3.67Å; Y421-F513 HydrophobicContact CD1-CE1 3.67Å; Y421-F513 AromaticContact CD1-CZ 3.85Å; Y421-F513 HydrophobicContact CD1-CZ 3.85Å; Y421-F513 AromaticContact CE1-CE1 3.61Å; Y421-F513 HydrophobicContact CE1-CE1 3.61Å; Y421-F513 AromaticContact CE1-CZ 3.91Å; Y421-F513 HydrophobicContact CE1-CZ 3.91Å
422K98.8Very high97.9Very high3 Ų317.5 Ų17.51%0.0139%0.089CC..Hα-helixtrans-51.3-54.4171.4-84.8178.1161.21670111.5L402 L404 E418 I419 W424 C426 W472 F501L402-K422 HydrophobicContact CD2-CB 4.41Å; L402-K422 VanDerWaalsContact O-CE 3.23Å; L402-K422 WeakPolarHBondContact O-CE 3.48Å; L402-K422 PolarHBondContact O-NZ 3.29Å; L402-K422 VanDerWaalsContact O-NZ 3.17Å; L404-K422 PolarHBondContact O-NZ 2.77Å; E418-K422 PolarHBondContact O-N 2.93Å; E418-K422 VanDerWaalsContact OE1-CD 3.3Å; E418-K422 WeakPolarHBondContact OE1-CD 3.39Å; E418-K422 WeakPolarHBondContact OE1-CE 3.42Å; E418-K422 IonicContact OE1-NZ 3.74Å; E418-K422 PolarHBondContact OE1-NZ 2.78Å; E418-K422 IonicContact OE2-NZ 2.65Å; I419-K422 HydrophobicContact CD1-CB 4.36Å; I419-K422 HydrophobicContact CD1-CD 4.19Å; I419-K422 PolarHBondContact O-N 3.16Å; K422-W424 PolarHBondContact O-N 2.77Å; K422-C426 WeakPolarHBondContact O-CB 3.49Å; K422-C426 PolarHBondContact O-N 3.07Å; K422-C426 PolarHBondContact O-SG 3.1Å; K422-C426 VanDerWaalsContact O-SG 3.33Å; K422-W472 HydrophobicContact CB-CH2 4.26Å; K422-W472 HydrophobicContact CB-CZ2 4.26Å; K422-W472 HydrophobicContact CD-CZ2 4.16Å; K422-W472 HydrophobicContact CG-CH2 3.52Å; K422-W472 HydrophobicContact CG-CZ2 3.15Å; K422-W472 HydrophobicContact CG-CZ3 4.46Å; K422-F501 HydrophobicContact CG-CE1 4.49Å
423I98.9Very high98.2Very high0 Ų010.7 Ų10.70%06%0.064CC..Hα-helixtrans-58.2-53.9-177.5-69.9161.1000110.1C325 M387 I394 L402 I419 Y421 G427 G428 K429 L430C325-I423 HydrophobicContact CB-CD1 3.56Å; C325-I423 HydrophobicContact CB-CG1 4.5Å; M387-I423 HydrophobicContact CE-CD1 4.21Å; I394-I423 HydrophobicContact CD1-CD1 4.45Å; L402-I423 HydrophobicContact CD1-CG1 3.75Å; I419-I423 HydrophobicContact CD1-CD1 4.32Å; I419-I423 HydrophobicContact CD1-CG1 4.35Å; I419-I423 HydrophobicContact CG1-CD1 3.85Å; I419-I423 HydrophobicContact CG1-CG1 4.38Å; I419-I423 WeakPolarHBondContact O-CB 3.41Å; I419-I423 VanDerWaalsContact O-CD1 3.32Å; I419-I423 WeakPolarHBondContact O-CD1 3.48Å; I419-I423 WeakPolarHBondContact O-CG1 3.16Å; I419-I423 PolarHBondContact O-N 3.45Å; Y421-I423 PolarHBondContact O-N 2.83Å; I423-G427 PolarHBondContact O-N 3.17Å; I423-G428 CarbonylContact O-C 3.56Å; I423-G428 VanDerWaalsContact O-CA 3.26Å; I423-G428 WeakPolarHBondContact O-CA 3.42Å; I423-G428 PolarHBondContact O-N 3.45Å; I423-K429 VanDerWaalsContact CG2-C 3.49Å; I423-K429 WeakPolarHBondContact CG2-O 3.17Å; I423-L430 HydrophobicContact CG2-CB 4.48Å
424W98.9Very high98.5Very high9 Ų910.7 Ų10.73%0.0346%0.064CC..Hα-helixtrans-68.4-50.2-175.3-80.4119.3000113.4R383 S384 P385 S420 Y421 K422 C426 G427 K429 L430 W512 F513 I517R383-W424 HydrophobicContact CB-CH2 3.82Å; R383-W424 HydrophobicContact CB-CZ2 3.91Å; R383-W424 HydrophobicContact CG-CH2 3.83Å; R383-W424 HydrophobicContact CG-CZ2 4.41Å; S384-W424 PolarHBondContact O-NE1 3.01Å; P385-W424 PolarHBondContact O-NE1 3.4Å; S420-W424 VanDerWaalsContact O-CD1 3.29Å; S420-W424 PolarHBondContact O-N 2.71Å; S420-W424 VanDerWaalsContact O-N 3.09Å; Y421-W424 PolarHBondContact O-N 3.39Å; K422-W424 PolarHBondContact O-N 2.77Å; W424-C426 VanDerWaalsContact C-N 3.32Å; W424-C426 PolarHBondContact O-N 3.2Å; W424-G427 PolarHBondContact O-N 2.77Å; W424-K429 HydrophobicContact CH2-CB 3.96Å; W424-K429 HydrophobicContact CH2-CG 4.3Å; W424-K429 HydrophobicContact CZ3-CB 4.04Å; W424-K429 HydrophobicContact CZ3-CG 3.99Å; W424-L430 HydrophobicContact CZ2-CB 4.02Å; W424-L430 VanDerWaalsContact CZ2-N 3.31Å; W424-L430 WeakPolarHBondContact CZ2-O 3.31Å; W424-W512 WeakPolarHBondContact O-CH2 3.42Å; W424-W512 WeakPolarHBondContact O-CZ3 3.32Å; W424-F513 HydrophobicContact CB-CD2 3.69Å; W424-F513 HydrophobicContact CB-CE2 3.78Å; W424-F513 AromaticContact CD1-CE2 3.5Å; W424-F513 VanDerWaalsContact CD1-CE2 3.5Å; W424-F513 HydrophobicContact CG-CD2 4.02Å; W424-F513 AromaticContact CG-CE2 3.7Å; W424-F513 HydrophobicContact CG-CE2 3.7Å; W424-I517 HydrophobicContact CD2-CD1 4.41Å; W424-I517 HydrophobicContact CD2-CG1 4.14Å; W424-I517 HydrophobicContact CD2-CG2 3.81Å; W424-I517 HydrophobicContact CE3-CD1 3.75Å; W424-I517 HydrophobicContact CE3-CG1 3.86Å; W424-I517 HydrophobicContact CE3-CG2 4.23Å; W424-I517 HydrophobicContact CG-CG2 4.26Å; W424-I517 HydrophobicContact CH2-CD1 4.15Å; W424-I517 HydrophobicContact CH2-CG2 4.35Å; W424-I517 HydrophobicContact CZ2-CG2 3.89Å; W424-I517 HydrophobicContact CZ3-CD1 3.61Å; W424-I517 HydrophobicContact CZ3-CG1 4.23Å; W424-I517 HydrophobicContact CZ3-CG2 4.49Å
425Q98.8Very high98.7Very high1 Ų110.8 Ų10.81%0.0057%0.065CC..Hα-helixtrans-70-31.7-174.2-67.6179.555.300111.4Y421 W472 C507 K508 F513Y421-Q425 VanDerWaalsContact O-CB 3.25Å; Y421-Q425 WeakPolarHBondContact O-CB 3.45Å; Y421-Q425 WeakPolarHBondContact O-CG 3.49Å; Y421-Q425 PolarHBondContact O-N 3.02Å; Q425-W472 HydrophobicContact CB-CE3 4.48Å; Q425-W472 HydrophobicContact CB-CZ3 4.23Å; Q425-W472 PolarHBondContact NE2-O 2.94Å; Q425-C507 HydrophobicContact CB-CB 4.22Å; Q425-C507 CarbonylContact O-C 3.57Å; Q425-C507 WeakPolarHBondContact O-CA 3.21Å; Q425-K508 PolarHBondContact O-N 3.33Å; Q425-K508 PolarHBondContact OE1-O 3.26Å; Q425-F513 HydrophobicContact CG-CB 4.17Å
426C98.6Very high98.7Very high16 Ų1610.6 Ų10.611%0.1086%0.064CC..THydrogen-bonded Turntrans-91.26.6-179.7-51.50000113.6F115 K422 W424 C507F115-C426 HydrophobicContact CE2-CB 4.16Å; F115-C426 VanDerWaalsContact CE2-O 3.25Å; F115-C426 WeakPolarHBondContact CE2-O 3.27Å; F115-C426 HydrophobicContact CZ-CB 4Å; K422-C426 WeakPolarHBondContact O-CB 3.49Å; K422-C426 PolarHBondContact O-N 3.07Å; K422-C426 PolarHBondContact O-SG 3.1Å; K422-C426 VanDerWaalsContact O-SG 3.33Å; W424-C426 VanDerWaalsContact C-N 3.32Å; W424-C426 PolarHBondContact O-N 3.2Å; C426-C507 HydrophobicContact CB-CB 4.07Å; C426-C507 WeakPolarHBondContact CB-SG 3.45Å; C426-C507 WeakPolarHBondContact SG-CB 3.47Å; C426-C507 CovalentContact SG-SG 2.05Å; C426-C507 PolarHBondContact SG-SG 3.05Å
427G97.9Very high98.8Very high46 Ų4611 Ų1147%0.4746%0.064SC..THydrogen-bonded Turntrans105.63.3165.800000116.7I423 W424I423-G427 PolarHBondContact O-N 3.17Å; W424-G427 PolarHBondContact O-N 2.77Å
428G98.6Very high98.8Very high3 Ų310.9 Ų10.93%0.0316%0.064CC..  trans-82.4-171.5168.800000113T323 I423T323-G428 WeakPolarHBondContact O-CA 3.39Å; I423-G428 CarbonylContact O-C 3.56Å; I423-G428 VanDerWaalsContact O-CA 3.26Å; I423-G428 WeakPolarHBondContact O-CA 3.42Å; I423-G428 PolarHBondContact O-N 3.45Å
429K98.9Very high98.8Very high85 Ų8511 Ų1137%0.377%0.065SC..EExtended strand (participates in β ladder)trans-136.5145.4177.6-57.1168.4-168.61390111D321 T323 I324 C325 I423 W424 L431D321-K429 IonicContact OD2-NZ 3.6Å; D321-K429 PolarHBondContact OD2-NZ 3.39Å; T323-K429 PolarHBondContact O-N 3.37Å; T323-K429 VanDerWaalsContact O-N 3.09Å; I324-K429 WeakPolarHBondContact CA-O 3.35Å; I324-K429 HydrophobicContact CD1-CD 4.31Å; I324-K429 HydrophobicContact CG1-CB 4.23Å; I324-K429 HydrophobicContact CG1-CD 4.22Å; C325-K429 PolarHBondContact N-O 3.03Å; I423-K429 VanDerWaalsContact CG2-C 3.49Å; I423-K429 WeakPolarHBondContact CG2-O 3.17Å; W424-K429 HydrophobicContact CH2-CB 3.96Å; W424-K429 HydrophobicContact CH2-CG 4.3Å; W424-K429 HydrophobicContact CZ3-CB 4.04Å; W424-K429 HydrophobicContact CZ3-CG 3.99Å; K429-L431 HydrophobicContact CB-CD2 4.42Å
430L98.9Very high98.8Very high0 Ų012.3 Ų12.30%07%0.071CC..EExtended strand (participates in β ladder)trans-113.8114.3172.8179.960.4000110.3C325 V327 S384 M387 I423 W424C325-L430 HydrophobicContact CB-CD1 4.06Å; C325-L430 WeakPolarHBondContact O-CA 3.38Å; V327-L430 HydrophobicContact CG2-CD1 3.78Å; S384-L430 PolarHBondContact N-O 3.49Å; M387-L430 HydrophobicContact CB-CD1 4.42Å; M387-L430 HydrophobicContact CB-CD2 4.05Å; M387-L430 HydrophobicContact CE-CD1 3.45Å; M387-L430 VanDerWaalsContact CE-CD1 3.45Å; M387-L430 HydrophobicContact CE-CD2 4.16Å; M387-L430 HydrophobicContact CE-CG 4.46Å; I423-L430 HydrophobicContact CG2-CB 4.48Å; W424-L430 HydrophobicContact CZ2-CB 4.02Å; W424-L430 VanDerWaalsContact CZ2-N 3.31Å; W424-L430 WeakPolarHBondContact CZ2-O 3.31Å
431L98.9Very high98.7Very high20 Ų2012.4 Ų12.411%0.1057%0.072CC..EExtended strand (participates in β ladder)trans-116.8131.2-173.7-56.2-176000112.1P317 I324 C325 T326 V327 P381 Y382 R383 K429P317-L431 HydrophobicContact CB-CD1 4.29Å; I324-L431 HydrophobicContact CD1-CD1 4.12Å; I324-L431 HydrophobicContact CG2-CB 4.48Å; I324-L431 HydrophobicContact CG2-CD1 3.68Å; I324-L431 HydrophobicContact CG2-CG 3.91Å; C325-L431 PolarHBondContact O-N 3.25Å; T326-L431 CarbonylContact C-O 3.45Å; T326-L431 VanDerWaalsContact CA-O 3.31Å; T326-L431 WeakPolarHBondContact CA-O 3.46Å; V327-L431 PolarHBondContact N-O 3.27Å; P381-L431 HydrophobicContact CB-CB 4.05Å; P381-L431 HydrophobicContact CB-CD1 4.03Å; Y382-L431 CarbonylContact O-C 3.57Å; Y382-L431 VanDerWaalsContact O-CA 3.31Å; Y382-L431 WeakPolarHBondContact O-CA 3.39Å; R383-L431 HydrophobicContact CB-CD2 4.38Å; R383-L431 HydrophobicContact CG-CD2 3.84Å; K429-L431 HydrophobicContact CB-CD2 4.42Å
432F98.9Very high98.3Very high19 Ų1917 Ų178%0.0839%0.09CC..EExtended strand (participates in β ladder)trans-86135.9164.5-8121.3000108.6V327 L329 A352 P381 Y382 S384 P434V327-F432 HydrophobicContact CB-CD1 3.62Å; V327-F432 HydrophobicContact CB-CE1 3.75Å; V327-F432 HydrophobicContact CG1-CD1 3.89Å; V327-F432 HydrophobicContact CG1-CE1 3.65Å; V327-F432 HydrophobicContact CG1-CZ 4.23Å; V327-F432 HydrophobicContact CG2-CD1 4.25Å; V327-F432 HydrophobicContact CG2-CE1 4.07Å; V327-F432 WeakPolarHBondContact O-CA 3.45Å; L329-F432 HydrophobicContact CD2-CB 4.12Å; L329-F432 HydrophobicContact CD2-CD2 3.96Å; L329-F432 HydrophobicContact CD2-CG 4.4Å; A352-F432 VanDerWaalsContact O-CD2 3.29Å; A352-F432 WeakPolarHBondContact O-CD2 3.41Å; P381-F432 CarbonylContact C-O 3.29Å; P381-F432 VanDerWaalsContact CA-O 3.24Å; P381-F432 WeakPolarHBondContact CA-O 3.49Å; Y382-F432 HydrophobicContact CD2-CB 4Å; Y382-F432 HydrophobicContact CE1-CB 4.12Å; Y382-F432 HydrophobicContact CE2-CB 3.49Å; Y382-F432 VanDerWaalsContact CE2-CB 3.49Å; Y382-F432 AromaticContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CD2 3.94Å; Y382-F432 HydrophobicContact CE2-CG 4.05Å; Y382-F432 PolarHBondContact N-O 2.86Å; Y382-F432 PolarHBondContact O-N 3.5Å; S384-F432 VanDerWaalsContact CB-CD1 3.5Å; F432-P434 WeakPolarHBondContact O-CD 3.36Å
433V98.9Very high98Very high2 Ų221.7 Ų21.71%0.01211%0.107CC..EExtended strand (participates in β ladder)trans-115.399.5-170.6-178.50000110P313 L314 T326 V327 P381 C435 S436P313-V433 HydrophobicContact CB-CG1 3.71Å; P313-V433 VanDerWaalsContact O-CG1 3.28Å; P313-V433 WeakPolarHBondContact O-CG1 3Å; L314-V433 HydrophobicContact CD1-CG2 4.42Å; T326-V433 HydrophobicContact CG2-CG2 4.08Å; V327-V433 PolarHBondContact O-N 2.88Å; P381-V433 HydrophobicContact CB-CG2 4.24Å; P381-V433 HydrophobicContact CG-CG1 4.36Å; P381-V433 HydrophobicContact CG-CG2 4.17Å; V433-C435 VanDerWaalsContact C-N 3.28Å; V433-C435 PolarHBondContact O-N 3.04Å; V433-C435 VanDerWaalsContact O-N 3.16Å; V433-S436 PolarHBondContact O-N 3.43Å
434P98.6Very high97.8Very high1 Ų123.9 Ų23.91%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-53.2-38-175.7-31.836.7000116.4L329 Y351 T379 Y382 F432 S436L329-P434 HydrophobicContact CD1-CB 4.37Å; Y351-P434 HydrophobicContact CD1-CG 4.46Å; Y351-P434 HydrophobicContact CE1-CB 3.61Å; Y351-P434 HydrophobicContact CE1-CG 3.9Å; Y351-P434 WeakPolarHBondContact OH-CB 3.5Å; T379-P434 WeakPolarHBondContact O-CG 3.46Å; Y382-P434 HydrophobicContact CD1-CG 3.96Å; Y382-P434 HydrophobicContact CE1-CG 3.82Å; F432-P434 WeakPolarHBondContact O-CD 3.36Å; P434-S436 VanDerWaalsContact C-N 3.34Å
435C98.8Very high97.4Very high3 Ų332.7 Ų32.72%0.0216%0.161CC..EExtended strand (participates in β ladder)trans-83.7-9-176.8-60.60000114.1R193 C197 P313 V433R193-C435 WeakPolarHBondContact CD-O 3.43Å; C197-C435 WeakPolarHBondContact CA-SG 3.21Å; C197-C435 HydrophobicContact CB-CB 3.68Å; C197-C435 WeakPolarHBondContact CB-SG 3.4Å; C197-C435 WeakPolarHBondContact SG-CA 3.14Å; C197-C435 WeakPolarHBondContact SG-CB 3.15Å; C197-C435 CovalentContact SG-SG 2.05Å; C197-C435 PolarHBondContact SG-SG 3.46Å; P313-C435 HydrophobicContact CB-CB 3.79Å; P313-C435 HydrophobicContact CG-CB 4.02Å; P313-C435 WeakPolarHBondContact CG-O 3.22Å; V433-C435 VanDerWaalsContact C-N 3.28Å; V433-C435 PolarHBondContact O-N 3.04Å; V433-C435 VanDerWaalsContact O-N 3.16Å
436S98.9Very high96.8Very high0 Ų035.1 Ų35.10%019%0.185CC..EExtended strand (participates in β ladder)trans-101.8118.9168.5-170.60000108.8W310 P328 L329 V433 P434W310-S436 VanDerWaalsContact O-CB 3.25Å; W310-S436 WeakPolarHBondContact O-CB 3.3Å; W310-S436 PolarHBondContact O-OG 2.62Å; P328-S436 CarbonylContact C-O 3.58Å; P328-S436 VanDerWaalsContact CA-O 3.29Å; P328-S436 WeakPolarHBondContact CA-O 3.5Å; P328-S436 WeakPolarHBondContact CB-O 3.23Å; L329-S436 PolarHBondContact N-O 3.44Å; V433-S436 PolarHBondContact O-N 3.43Å; P434-S436 VanDerWaalsContact C-N 3.34Å
437R98.8Very high96.6Very high19 Ų1937.8 Ų37.87%0.07219%0.193CC..EExtended strand (participates in β ladder)trans-128.7143.6-179.1-53.3-170.576.996.4-2.6110.9R193 A307 L329 D331R193-R437 HydrophobicContact CG-CG 4Å; A307-R437 HydrophobicContact CB-CB 3.97Å; A307-R437 WeakPolarHBondContact CB-O 3.41Å; A307-R437 PolarHBondContact N-O 2.83Å; L329-R437 HydrophobicContact CB-CG 4.39Å; L329-R437 VanDerWaalsContact CD1-NH1 3.33Å; L329-R437 WeakPolarHBondContact O-CA 3.34Å; D331-R437 IonicContact OD1-CZ 3.49Å; D331-R437 IonicContact OD1-NE 3.98Å; D331-R437 PolarHBondContact OD1-NE 3Å; D331-R437 IonicContact OD1-NH2 3.91Å; D331-R437 PolarHBondContact OD1-NH2 3.4Å; D331-R437 IonicContact OD2-CZ 3.37Å; D331-R437 IonicContact OD2-NE 3.49Å; D331-R437 PolarHBondContact OD2-NE 3.22Å; D331-R437 IonicContact OD2-NH2 3.93Å
438V98.9Very high96Very high0 Ų042.4 Ų42.40%020%0.202CC..EExtended strand (participates in β ladder)trans-139123.4177.2-179.10000108.4L300 C304 V306 W310 P328 L329 I330 D331 L391L300-V438 HydrophobicContact CD2-CG1 4.19Å; L300-V438 HydrophobicContact CD2-CG2 4.39Å; C304-V438 HydrophobicContact CB-CG1 3.79Å; V306-V438 HydrophobicContact CB-CG2 4.43Å; V306-V438 HydrophobicContact CG1-CG1 4.22Å; V306-V438 HydrophobicContact CG1-CG2 4.06Å; W310-V438 HydrophobicContact CE3-CG2 4Å; W310-V438 HydrophobicContact CZ3-CG2 4.44Å; P328-V438 HydrophobicContact CB-CB 4.46Å; P328-V438 HydrophobicContact CB-CG2 3.84Å; P328-V438 HydrophobicContact CG-CB 4.25Å; P328-V438 HydrophobicContact CG-CG2 3.74Å; L329-V438 PolarHBondContact O-N 2.98Å; I330-V438 WeakPolarHBondContact CA-O 3.25Å; D331-V438 PolarHBondContact N-O 3.44Å; L391-V438 HydrophobicContact CD1-CB 4Å; L391-V438 HydrophobicContact CD1-CG1 3.85Å
439G98.7Very high95.2Very high3 Ų343.5 Ų43.53%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-74.3138.2170.300000110.4C304 E305 D331 I333C304-G439 CarbonylContact C-O 3.5Å; C304-G439 WeakPolarHBondContact CA-O 3.3Å; C304-G439 WeakPolarHBondContact CB-O 3.3Å; E305-G439 PolarHBondContact N-O 3.06Å; E305-G439 PolarHBondContact O-N 3.2Å; D331-G439 CarbonylContact O-C 3.53Å; D331-G439 WeakPolarHBondContact O-CA 3.32Å; I333-G439 VanDerWaalsContact CD1-C 3.43Å; I333-G439 WeakPolarHBondContact CD1-O 3.43Å
440H98.6Very high94.3Very high28 Ų2841.6 Ų41.613%0.1321%0.208CC..EExtended strand (participates in β ladder)trans-125.8130.9176.2172.9-79.3000110D301 H303 I330 D331 I333 Y442D301-H440 IonicContact OD2-CD2 2.69Å; D301-H440 IonicContact OD2-NE2 2.87Å; D301-H440 PolarHBondContact OD2-NE2 2.78Å; H303-H440 AromaticContact CD2-CD2 3.95Å; H303-H440 AromaticContact CD2-CE1 3.86Å; H303-H440 AromaticContact CD2-NE2 3.5Å; H303-H440 PolarHBondContact CD2-NE2 2.78Å; H303-H440 AromaticContact NE2-CE1 3.73Å; H303-H440 AromaticContact NE2-NE2 3.27Å; H303-H440 PolarHBondContact NE2-NE2 2.94Å; I330-H440 HydrophobicContact CG2-CB 3.66Å; D331-H440 PolarHBondContact O-N 2.83Å; I333-H440 PolarHBondContact N-O 3.21Å; H440-Y442 AromaticContact ND1-CD2 3.95Å; H440-Y442 AromaticContact ND1-CE2 3.93Å; H440-Y442 PolarHBondContact O-N 3.39Å
441I98.3Very high93.1Very high3 Ų346.4 Ų46.42%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-74.9122.4179-52.6177.9000110.5F175 T222 H303 I333 Y338F175-I441 HydrophobicContact CD1-CB 4.33Å; F175-I441 HydrophobicContact CD1-CG2 3.36Å; F175-I441 HydrophobicContact CE1-CB 3.99Å; F175-I441 HydrophobicContact CE1-CG2 3.45Å; F175-I441 VanDerWaalsContact CE1-CG2 3.45Å; F175-I441 HydrophobicContact CG-CG2 4.05Å; F175-I441 HydrophobicContact CZ-CB 4.35Å; F175-I441 HydrophobicContact CZ-CG2 4.22Å; T222-I441 HydrophobicContact CG2-CD1 3.58Å; H303-I441 HydrophobicContact CB-CB 4.15Å; H303-I441 HydrophobicContact CB-CD1 3.94Å; H303-I441 HydrophobicContact CB-CG1 4.16Å; H303-I441 WeakPolarHBondContact O-CG1 3.49Å; H303-I441 PolarHBondContact O-N 3.13Å; I333-I441 HydrophobicContact CB-CB 4.42Å; I333-I441 HydrophobicContact CB-CG1 3.83Å; I333-I441 HydrophobicContact CD1-CG1 3.99Å; I333-I441 HydrophobicContact CG1-CG1 4.46Å; I333-I441 HydrophobicContact CG2-CG1 3.9Å; I333-I441 WeakPolarHBondContact O-CA 3.32Å; Y338-I441 HydrophobicContact CD1-CD1 4.38Å; Y338-I441 HydrophobicContact CE1-CD1 3.73Å
442Y90Very high92.1Very high95 Ų9549.3 Ų49.337%0.37326%0.259SS..PPolyproline II helixtrans-85.5135.2172.4-85.1-94.7000111.6V332 I333 Q343 H440V332-Y442 HydrophobicContact CB-CD2 4.23Å; V332-Y442 HydrophobicContact CB-CE2 4.41Å; V332-Y442 HydrophobicContact CG1-CD2 3.77Å; V332-Y442 HydrophobicContact CG1-CE2 4.4Å; V332-Y442 HydrophobicContact CG1-CG 4.48Å; V332-Y442 HydrophobicContact CG2-CD2 4.05Å; V332-Y442 HydrophobicContact CG2-CE2 3.81Å; I333-Y442 PolarHBondContact O-N 2.87Å; Q343-Y442 PolarHBondContact NE2-OH 3.33Å; H440-Y442 AromaticContact ND1-CD2 3.95Å; H440-Y442 AromaticContact ND1-CE2 3.93Å; H440-Y442 PolarHBondContact O-N 3.39Å
443R92Very high91.1Very high102 Ų10249.1 Ų49.139%0.38526%0.26SS..PPolyproline II helixtrans-69140.2178-75.6-170.3169.7132.60.9111.4G174 F175 W447G174-R443 WeakPolarHBondContact O-CA 3.37Å; F175-R443 HydrophobicContact CD1-CG 4.17Å; F175-R443 HydrophobicContact CE1-CB 4.17Å; F175-R443 HydrophobicContact CE1-CG 3.35Å; F175-R443 HydrophobicContact CZ-CG 3.67Å; R443-W447 VanDerWaalsContact CD-CZ3 3.46Å
444L94.1Very high90.1Very high47 Ų4757.4 Ų57.425%0.24630%0.302CS..PPolyproline II helixtrans-85.8156.2177-60.3172.6000111.1I170 G174 N336I170-L444 HydrophobicContact CD1-CD1 3.57Å; I170-L444 HydrophobicContact CG1-CD1 3.84Å; I170-L444 HydrophobicContact CG2-CB 3.97Å; G174-L444 PolarHBondContact O-N 3.21Å; N336-L444 HydrophobicContact CB-CD1 3.91Å; N336-L444 HydrophobicContact CB-CD2 4.3Å
445E90.9Very high89Confident194 Ų19464 Ų6491%0.90733%0.328SS*.THydrogen-bonded Turntrans-59.9145.3170.4-169.5-178.2172.600111I170I170-E445 WeakPolarHBondContact CG2-O 3.22Å
446G87.5Confident88Confident51 Ų5164.7 Ų64.753%0.52633%0.332SS..THydrogen-bonded Turntrans96.7-5.4179.900000114.7
447W92.9Very high86.6Confident72 Ų7266.5 Ų66.527%0.27335%0.351SS..  trans-63.2132167.8-177.244.5000111.1E172 G174 R443 G449E172-W447 PolarHBondContact O-NE1 3.11Å; G174-W447 VanDerWaalsContact N-CD1 3.27Å; R443-W447 VanDerWaalsContact CD-CZ3 3.46Å; W447-G449 VanDerWaalsContact C-N 3.26Å; W447-G449 VanDerWaalsContact CE2-CA 3.42Å; W447-G449 PolarHBondContact O-N 3.49Å
448Q85Confident85.3Confident143 Ų14369.1 Ų69.167%0.66837%0.372SS*.  trans-79.3-5.9-178.9-64-165.6-61.800114.5K171K171-Q448 HydrophobicContact CG-CG 3.77Å; K171-Q448 PolarHBondContact O-N 2.86Å
449G83.6Confident84.3Confident26 Ų2672.9 Ų72.927%0.26840%0.398SS..  trans76.9165.9-176.100000113W447W447-G449 VanDerWaalsContact C-N 3.26Å; W447-G449 VanDerWaalsContact CE2-CA 3.42Å; W447-G449 PolarHBondContact O-N 3.49Å
450N78.1Confident83.8Confident45 Ų4573.5 Ų73.524%0.24140%0.402CS..  trans-94.6114.9163.5-68.9-52000107.7
451P74.9Confident83.5Confident101 Ų10173.8 Ų73.866%0.65641%0.405SS*.PPolyproline II helixtrans-59.3138.4-178.525.9-34.1000109.3R277R277-P451 PolarHBondContact NH1-O 3.38Å
452P76.8Confident83.2Confident81 Ų8174.4 Ų74.453%0.52641%0.409SS..PPolyproline II helixtrans-59.6154178.226.4-34000110.9
453P79.9Confident83.4Confident16 Ų1671.9 Ų71.910%0.10440%0.4CS..PPolyproline II helixtrans-61.4146175.6-15.529.5000111.1R277 I411 Y455 V456R277-P453 HydrophobicContact CB-CG 4.12Å; R277-P453 HydrophobicContact CG-CG 4.04Å; R277-P453 VanDerWaalsContact NH1-CD 3.34Å; I411-P453 HydrophobicContact CD1-CG 3.81Å; P453-Y455 HydrophobicContact CB-CD1 3.81Å; P453-Y455 HydrophobicContact CB-CD2 4.24Å; P453-Y455 HydrophobicContact CB-CE1 3.29Å; P453-Y455 HydrophobicContact CB-CE2 3.77Å; P453-Y455 HydrophobicContact CB-CG 4.26Å; P453-Y455 HydrophobicContact CG-CE1 4.26Å; P453-Y455 HydrophobicContact CG-CE2 4.15Å; P453-Y455 PolarHBondContact O-N 3.05Å; P453-Y455 VanDerWaalsContact O-N 3.11Å; P453-V456 HydrophobicContact CB-CG2 4.14Å; P453-V456 HydrophobicContact CG-CG2 4.02Å; P453-V456 WeakPolarHBondContact O-CB 3.43Å; P453-V456 PolarHBondContact O-N 2.96Å
454I76.5Confident83.6Confident175 Ų17567.1 Ų67.190%0.89738%0.382SS*.THydrogen-bonded Turntrans-58.1-30.1-174.7-60.9171.3000112.5V456I454-V456 VanDerWaalsContact C-N 3.28Å; I454-V456 PolarHBondContact O-N 3.27Å
455Y76.4Confident83.8Confident141 Ų14165.5 Ų65.555%0.55337%0.373SS*.THydrogen-bonded Turntrans-79.1-6.4179.254.3-97.6000114.3R277 P453R277-Y455 PolarHBondContact O-OH 3.46Å; P453-Y455 HydrophobicContact CB-CD1 3.81Å; P453-Y455 HydrophobicContact CB-CD2 4.24Å; P453-Y455 HydrophobicContact CB-CE1 3.29Å; P453-Y455 HydrophobicContact CB-CE2 3.77Å; P453-Y455 HydrophobicContact CB-CG 4.26Å; P453-Y455 HydrophobicContact CG-CE1 4.26Å; P453-Y455 HydrophobicContact CG-CE2 4.15Å; P453-Y455 PolarHBondContact O-N 3.05Å; P453-Y455 VanDerWaalsContact O-N 3.11Å
456V76.9Confident84.1Confident16 Ų1656.3 Ų56.310%0.09733%0.329CS..SBendtrans-91.6124.6176.7-177.80000108.3I411 P453 I454 P460I411-V456 HydrophobicContact CD1-CG2 4.24Å; I411-V456 HydrophobicContact CG1-CG1 4.28Å; I411-V456 HydrophobicContact CG1-CG2 4.09Å; P453-V456 HydrophobicContact CB-CG2 4.14Å; P453-V456 HydrophobicContact CG-CG2 4.02Å; P453-V456 WeakPolarHBondContact O-CB 3.43Å; P453-V456 PolarHBondContact O-N 2.96Å; I454-V456 VanDerWaalsContact C-N 3.28Å; I454-V456 PolarHBondContact O-N 3.27Å; V456-P460 HydrophobicContact CG1-CB 3.54Å; V456-P460 HydrophobicContact CG1-CG 3.64Å
457G70.6Confident84.6Confident39 Ų3954.5 Ų54.540%0.40231%0.307SS..  trans-63.7178.6179.600000113.4S459G457-S459 PolarHBondContact O-N 2.89Å
458S70.1Confident84.9Confident74 Ų7451.1 Ų51.152%0.51729%0.294SS..SBendtrans-57.7137.2173.650.70000111.1
459S77.8Confident85.6Confident79 Ų7944.3 Ų44.355%0.55226%0.262SS*.  trans50.158.3172.1-58.40000115.6G457 T461 L462 K463G457-S459 PolarHBondContact O-N 2.89Å; S459-T461 PolarHBondContact O-N 2.98Å; S459-T461 VanDerWaalsContact O-N 3.16Å; S459-L462 WeakPolarHBondContact O-CB 3.36Å; S459-L462 PolarHBondContact O-N 3.11Å; S459-K463 PolarHBondContact O-N 2.68Å
460P89.1Confident86.3Confident15 Ų1544.3 Ų44.310%0.09726%0.255CS..Hα-helixtrans-55-37178.923.2-34000112.5Q410 V456 L462 K463 N464Q410-P460 HydrophobicContact CB-CB 3.91Å; V456-P460 HydrophobicContact CG1-CB 3.54Å; V456-P460 HydrophobicContact CG1-CG 3.64Å; P460-L462 VanDerWaalsContact C-N 3.3Å; P460-L462 PolarHBondContact O-N 2.97Å; P460-K463 WeakPolarHBondContact O-CB 3.42Å; P460-K463 PolarHBondContact O-N 2.91Å; P460-K463 VanDerWaalsContact O-N 3.15Å; P460-N464 VanDerWaalsContact O-CG 3.24Å; P460-N464 PolarHBondContact O-N 2.94Å; P460-N464 PolarHBondContact O-OD1 3.05Å
461T91.8Very high87.3Confident34 Ų3442.3 Ų42.321%0.20925%0.245CC..Hα-helixtrans-59.3-37.3176.3-54.80000113.1W412 S459 N464 Y465W412-T461 HydrophobicContact CE3-CG2 4.19Å; W412-T461 HydrophobicContact CZ3-CG2 4.22Å; W412-T461 WeakPolarHBondContact O-CB 3.35Å; W412-T461 PolarHBondContact O-OG1 3.09Å; S459-T461 PolarHBondContact O-N 2.98Å; S459-T461 VanDerWaalsContact O-N 3.16Å; T461-N464 WeakPolarHBondContact O-CB 3.21Å; T461-N464 PolarHBondContact O-N 3.37Å; T461-Y465 HydrophobicContact CG2-CD1 4.46Å; T461-Y465 HydrophobicContact CG2-CE1 3.76Å; T461-Y465 HydrophobicContact CG2-CE2 3.82Å; T461-Y465 WeakPolarHBondContact CG2-OH 3.36Å; T461-Y465 WeakPolarHBondContact O-CD1 3.47Å; T461-Y465 VanDerWaalsContact O-CG 3.29Å; T461-Y465 PolarHBondContact O-N 2.92Å
462L92Very high88.4Confident17 Ų1737.6 Ų37.69%0.08921%0.214CC..Hα-helixtrans-68-41.8177.2-173.364.9000110.6S459 P460 N464 Y465 V466 E486 L490S459-L462 WeakPolarHBondContact O-CB 3.36Å; S459-L462 PolarHBondContact O-N 3.11Å; P460-L462 VanDerWaalsContact C-N 3.3Å; P460-L462 PolarHBondContact O-N 2.97Å; L462-N464 VanDerWaalsContact C-N 3.31Å; L462-N464 PolarHBondContact O-N 2.85Å; L462-Y465 HydrophobicContact CD1-CD2 4.41Å; L462-Y465 WeakPolarHBondContact O-CB 3.28Å; L462-Y465 PolarHBondContact O-N 3.04Å; L462-V466 WeakPolarHBondContact O-CG2 3.34Å; L462-V466 PolarHBondContact O-N 3.09Å; L462-V466 VanDerWaalsContact O-N 3.13Å; L462-E486 HydrophobicContact CD2-CG 4.28Å; L462-L490 HydrophobicContact CB-CD2 4.28Å; L462-L490 HydrophobicContact CD2-CD2 4.05Å; L462-L490 HydrophobicContact CG-CD2 3.86Å
463K94.3Very high89.5Confident42 Ų4233.8 Ų33.818%0.18319%0.189CC..Hα-helixtrans-58.6-44.5173.9-67.1-177.5179.8-174.90111.2S459 P460 Y465 V466 R467 L490S459-K463 PolarHBondContact O-N 2.68Å; P460-K463 WeakPolarHBondContact O-CB 3.42Å; P460-K463 PolarHBondContact O-N 2.91Å; P460-K463 VanDerWaalsContact O-N 3.15Å; K463-Y465 VanDerWaalsContact C-N 3.33Å; K463-Y465 PolarHBondContact O-N 2.95Å; K463-V466 PolarHBondContact O-N 2.87Å; K463-R467 WeakPolarHBondContact O-CG 3.17Å; K463-R467 PolarHBondContact O-N 3.49Å; K463-L490 HydrophobicContact CB-CD2 4.26Å; K463-L490 HydrophobicContact CG-CD1 4.46Å; K463-L490 HydrophobicContact CG-CD2 3.53Å; K463-L490 HydrophobicContact CG-CG 3.93Å
464N97.1Very high90.4Very high1 Ų135.3 Ų35.31%0.00520%0.196CC..Hα-helixtrans-56.5-46.7175.5-66.1-4.4000111.6L409 Q410 W412 G413 P460 T461 L462 V466 R467 V468L409-N464 WeakPolarHBondContact CA-OD1 3.39Å; L409-N464 HydrophobicContact CD2-CB 3.69Å; Q410-N464 PolarHBondContact N-ND2 3.46Å; Q410-N464 PolarHBondContact N-OD1 2.79Å; Q410-N464 PolarHBondContact O-ND2 2.88Å; W412-N464 PolarHBondContact O-ND2 2.88Å; G413-N464 WeakPolarHBondContact O-CB 3.49Å; G413-N464 PolarHBondContact O-ND2 3.48Å; P460-N464 VanDerWaalsContact O-CG 3.24Å; P460-N464 PolarHBondContact O-N 2.94Å; P460-N464 PolarHBondContact O-OD1 3.05Å; T461-N464 WeakPolarHBondContact O-CB 3.21Å; T461-N464 PolarHBondContact O-N 3.37Å; L462-N464 VanDerWaalsContact C-N 3.31Å; L462-N464 PolarHBondContact O-N 2.85Å; N464-V466 VanDerWaalsContact C-N 3.34Å; N464-V466 PolarHBondContact O-N 2.82Å; N464-R467 WeakPolarHBondContact O-CB 3.4Å; N464-R467 PolarHBondContact O-N 2.87Å; N464-V468 WeakPolarHBondContact O-CG2 3.46Å; N464-V468 PolarHBondContact O-N 3.11Å; N464-V468 VanDerWaalsContact O-N 3.08Å
465Y97.9Very high91.4Very high14 Ų1432 Ų326%0.05518%0.177CC..Hα-helixtrans-58-45.8177.5-62.9-19.6000112.1M360 T461 L462 K463 R467 V468 V469M360-Y465 HydrophobicContact CB-CD1 4.42Å; M360-Y465 HydrophobicContact CB-CD2 4.34Å; M360-Y465 HydrophobicContact CB-CG 4.21Å; M360-Y465 HydrophobicContact CG-CD1 4.2Å; M360-Y465 HydrophobicContact CG-CG 4.39Å; M360-Y465 VanDerWaalsContact SD-CB 3.56Å; M360-Y465 HydrophobicContact SD-CD1 3.54Å; M360-Y465 VanDerWaalsContact SD-CD1 3.54Å; M360-Y465 HydrophobicContact SD-CE1 4.41Å; M360-Y465 HydrophobicContact SD-CG 3.71Å; T461-Y465 HydrophobicContact CG2-CD1 4.46Å; T461-Y465 HydrophobicContact CG2-CE1 3.76Å; T461-Y465 HydrophobicContact CG2-CE2 3.82Å; T461-Y465 WeakPolarHBondContact CG2-OH 3.36Å; T461-Y465 WeakPolarHBondContact O-CD1 3.47Å; T461-Y465 VanDerWaalsContact O-CG 3.29Å; T461-Y465 PolarHBondContact O-N 2.92Å; L462-Y465 HydrophobicContact CD1-CD2 4.41Å; L462-Y465 WeakPolarHBondContact O-CB 3.28Å; L462-Y465 PolarHBondContact O-N 3.04Å; K463-Y465 VanDerWaalsContact C-N 3.33Å; K463-Y465 PolarHBondContact O-N 2.95Å; Y465-R467 VanDerWaalsContact C-N 3.34Å; Y465-R467 PolarHBondContact O-N 2.77Å; Y465-V468 PolarHBondContact O-N 2.7Å; Y465-V469 WeakPolarHBondContact O-CB 3.41Å; Y465-V469 VanDerWaalsContact O-CG2 3.26Å; Y465-V469 WeakPolarHBondContact O-CG2 3.11Å; Y465-V469 PolarHBondContact O-N 3.12Å
466V98Very high92.4Very high0 Ų026.8 Ų26.80%016%0.157CC..Hα-helixtrans-61-42.8177.9-172.80000111.5L462 K463 N464 V468 V469 E470 F480 Y481 L490 Y492L462-V466 WeakPolarHBondContact O-CG2 3.34Å; L462-V466 PolarHBondContact O-N 3.09Å; L462-V466 VanDerWaalsContact O-N 3.13Å; K463-V466 PolarHBondContact O-N 2.87Å; N464-V466 VanDerWaalsContact C-N 3.34Å; N464-V466 PolarHBondContact O-N 2.82Å; V466-V468 VanDerWaalsContact C-N 3.33Å; V466-V468 PolarHBondContact O-N 2.97Å; V466-V469 PolarHBondContact O-N 2.99Å; V466-E470 HydrophobicContact CG1-CG 4.03Å; V466-E470 WeakPolarHBondContact O-CB 3.41Å; V466-E470 WeakPolarHBondContact O-CG 3.34Å; V466-E470 PolarHBondContact O-N 3.18Å; V466-F480 HydrophobicContact CG2-CE1 4.07Å; V466-F480 HydrophobicContact CG2-CZ 4.39Å; V466-Y481 HydrophobicContact CG1-CE1 4.46Å; V466-Y481 WeakPolarHBondContact CG1-OH 3.34Å; V466-L490 HydrophobicContact CG2-CD2 4.1Å; V466-Y492 HydrophobicContact CB-CD1 4.22Å; V466-Y492 HydrophobicContact CB-CG 4.37Å; V466-Y492 HydrophobicContact CG1-CD1 3.29Å; V466-Y492 HydrophobicContact CG1-CE1 3.87Å; V466-Y492 HydrophobicContact CG1-CG 3.8Å
467R98.3Very high93.4Very high14 Ų1429 Ų295%0.05317%0.165CC..Hα-helixtrans-57-47.3176.5-67.4178.764.675.50.6111.7D406 L409 K463 N464 Y465 V471 Y492 D494 I495D406-R467 IonicContact OD1-CZ 3.64Å; D406-R467 IonicContact OD1-NE 2.81Å; D406-R467 IonicContact OD1-NH2 3.69Å; D406-R467 PolarHBondContact OD1-NH2 3.24Å; D406-R467 IonicContact OD2-CZ 2.86Å; D406-R467 IonicContact OD2-NE 3.11Å; D406-R467 PolarHBondContact OD2-NE 2.72Å; D406-R467 IonicContact OD2-NH2 3.33Å; D406-R467 PolarHBondContact OD2-NH2 2.86Å; D406-R467 VanDerWaalsContact OD2-NH2 3.11Å; L409-R467 HydrophobicContact CD2-CB 4.37Å; K463-R467 WeakPolarHBondContact O-CG 3.17Å; K463-R467 PolarHBondContact O-N 3.49Å; N464-R467 WeakPolarHBondContact O-CB 3.4Å; N464-R467 PolarHBondContact O-N 2.87Å; Y465-R467 VanDerWaalsContact C-N 3.34Å; Y465-R467 PolarHBondContact O-N 2.77Å; R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.06Å; R467-V471 PolarHBondContact O-N 2.83Å; R467-Y492 WeakPolarHBondContact CD-O 3.31Å; R467-Y492 VanDerWaalsContact CG-O 3.22Å; R467-Y492 WeakPolarHBondContact CG-O 3.41Å; R467-Y492 PolarHBondContact NH1-O 3.37Å; R467-D494 PolarHBondContact NH1-O 3.01Å; R467-D494 PolarHBondContact NH2-O 3.37Å; R467-I495 HydrophobicContact CB-CG2 4.38Å; R467-I495 HydrophobicContact CG-CG2 4.28Å
468V98.8Very high94.7Very high1 Ų131.5 Ų31.51%0.00617%0.169CC..Hα-helixtrans-65.4-45.5-179.6-1790000111M360 L409 E418 Y421 N464 Y465 V466 V471 W472M360-V468 HydrophobicContact CE-CB 3.54Å; M360-V468 HydrophobicContact CE-CG1 3.33Å; M360-V468 HydrophobicContact CE-CG2 4.14Å; M360-V468 HydrophobicContact SD-CB 4.47Å; L409-V468 HydrophobicContact CD2-CG2 4.19Å; E418-V468 HydrophobicContact CB-CG1 4.18Å; E418-V468 HydrophobicContact CB-CG2 3.7Å; E418-V468 HydrophobicContact CG-CG2 3.96Å; Y421-V468 HydrophobicContact CD2-CG1 3.7Å; Y421-V468 HydrophobicContact CE2-CG1 3.73Å; N464-V468 WeakPolarHBondContact O-CG2 3.46Å; N464-V468 PolarHBondContact O-N 3.11Å; N464-V468 VanDerWaalsContact O-N 3.08Å; Y465-V468 PolarHBondContact O-N 2.7Å; V466-V468 VanDerWaalsContact C-N 3.33Å; V466-V468 PolarHBondContact O-N 2.97Å; V468-V471 PolarHBondContact O-N 3.01Å; V468-W472 WeakPolarHBondContact O-CB 3.41Å; V468-W472 PolarHBondContact O-N 3.11Å
469V98.6Very high96.1Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-62.4-46.7180168.50000111.3M360 Y465 V466 V471 W472 W473 K477 F480M360-V469 HydrophobicContact SD-CG2 4.06Å; Y465-V469 WeakPolarHBondContact O-CB 3.41Å; Y465-V469 VanDerWaalsContact O-CG2 3.26Å; Y465-V469 WeakPolarHBondContact O-CG2 3.11Å; Y465-V469 PolarHBondContact O-N 3.12Å; V466-V469 PolarHBondContact O-N 2.99Å; V469-V471 PolarHBondContact O-N 2.92Å; V469-W472 PolarHBondContact O-N 2.92Å; V469-W473 HydrophobicContact CB-CD2 4.48Å; V469-W473 HydrophobicContact CB-CG 4.44Å; V469-W473 HydrophobicContact CG1-CB 4.15Å; V469-W473 HydrophobicContact CG1-CD2 4.39Å; V469-W473 HydrophobicContact CG1-CE3 4.27Å; V469-W473 HydrophobicContact CG1-CG 4.36Å; V469-W473 HydrophobicContact CG2-CD2 3.87Å; V469-W473 HydrophobicContact CG2-CE3 3.99Å; V469-W473 HydrophobicContact CG2-CG 4.27Å; V469-W473 HydrophobicContact CG2-CZ3 4.36Å; V469-W473 WeakPolarHBondContact O-CB 3.14Å; V469-W473 PolarHBondContact O-N 2.78Å; V469-K477 HydrophobicContact CG1-CB 3.31Å; V469-F480 HydrophobicContact CB-CD1 4.37Å; V469-F480 HydrophobicContact CB-CG 4.49Å; V469-F480 HydrophobicContact CG1-CB 4.07Å; V469-F480 HydrophobicContact CG1-CD1 4.03Å; V469-F480 HydrophobicContact CG1-CG 4.16Å; V469-F480 HydrophobicContact CG2-CB 4.2Å; V469-F480 HydrophobicContact CG2-CD1 4.09Å; V469-F480 HydrophobicContact CG2-CD2 3.94Å; V469-F480 HydrophobicContact CG2-CE1 4.47Å; V469-F480 HydrophobicContact CG2-CE2 4.33Å; V469-F480 HydrophobicContact CG2-CG 3.8Å
470E98.6Very high97Very high26 Ų2627.7 Ų27.712%0.12113%0.132CC..Hα-helixtrans-67.4-22.2-178.7-78-64.1160.600114.3V466 K477 Y481 Y492 I495 K499V466-E470 HydrophobicContact CG1-CG 4.03Å; V466-E470 WeakPolarHBondContact O-CB 3.41Å; V466-E470 WeakPolarHBondContact O-CG 3.34Å; V466-E470 PolarHBondContact O-N 3.18Å; E470-K477 IonicContact OE1-NZ 2.62Å; E470-K477 IonicContact OE2-NZ 3.32Å; E470-K477 PolarHBondContact OE2-NZ 3.44Å; E470-Y481 WeakPolarHBondContact OE1-CE2 3.4Å; E470-Y481 PolarHBondContact OE1-OH 3.37Å; E470-Y492 HydrophobicContact CG-CE1 4.12Å; E470-Y492 HydrophobicContact CG-CE2 4.42Å; E470-I495 HydrophobicContact CB-CD1 3.63Å; E470-K499 WeakPolarHBondContact O-CE 3.38Å
471V98.8Very high97.4Very high3 Ų328.2 Ų28.22%0.01813%0.132CC..Hα-helixtrans-91.7-41176.4177.30000111.6R467 V468 V469 I495 L498 K499 R502R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.06Å; R467-V471 PolarHBondContact O-N 2.83Å; V468-V471 PolarHBondContact O-N 3.01Å; V469-V471 PolarHBondContact O-N 2.92Å; V471-I495 HydrophobicContact CG2-CB 3.88Å; V471-I495 HydrophobicContact CG2-CD1 4.05Å; V471-I495 HydrophobicContact CG2-CG1 4.47Å; V471-I495 HydrophobicContact CG2-CG2 4.23Å; V471-L498 HydrophobicContact CG1-CB 4Å; V471-L498 HydrophobicContact CG2-CB 3.84Å; V471-L498 HydrophobicContact CG2-CD1 4.2Å; V471-K499 HydrophobicContact CG2-CG 4.32Å; V471-R502 WeakPolarHBondContact O-CD 3.47Å; V471-R502 PolarHBondContact O-NH1 3.16Å
472W98.8Very high97.6Very high2 Ų227 Ų271%0.00813%0.125CC..Hα-helixtrans-114.3-16.5-162-65.3103.8000116Y421 K422 Q425 V468 V469 F501 R502 C507 F510Y421-W472 HydrophobicContact CD2-CB 3.92Å; Y421-W472 HydrophobicContact CD2-CG 4.29Å; Y421-W472 HydrophobicContact CG-CB 4.32Å; K422-W472 HydrophobicContact CB-CH2 4.26Å; K422-W472 HydrophobicContact CB-CZ2 4.26Å; K422-W472 HydrophobicContact CD-CZ2 4.16Å; K422-W472 HydrophobicContact CG-CH2 3.52Å; K422-W472 HydrophobicContact CG-CZ2 3.15Å; K422-W472 HydrophobicContact CG-CZ3 4.46Å; Q425-W472 HydrophobicContact CB-CE3 4.48Å; Q425-W472 HydrophobicContact CB-CZ3 4.23Å; Q425-W472 PolarHBondContact NE2-O 2.94Å; V468-W472 WeakPolarHBondContact O-CB 3.41Å; V468-W472 PolarHBondContact O-N 3.11Å; V469-W472 PolarHBondContact O-N 2.92Å; W472-F501 HydrophobicContact CH2-CD1 4.24Å; W472-F501 HydrophobicContact CH2-CE1 4.15Å; W472-F501 HydrophobicContact CZ2-CD1 4.45Å; W472-R502 HydrophobicContact CE3-CG 4.36Å; W472-R502 HydrophobicContact CH2-CB 4.24Å; W472-R502 HydrophobicContact CH2-CG 4.13Å; W472-R502 HydrophobicContact CZ3-CB 4.39Å; W472-R502 HydrophobicContact CZ3-CG 3.79Å; W472-C507 HydrophobicContact CZ3-CB 4.48Å; W472-F510 VanDerWaalsContact O-CB 3.32Å; W472-F510 WeakPolarHBondContact O-CB 3.49Å; W472-F510 WeakPolarHBondContact O-CD2 3.42Å; W472-F510 WeakPolarHBondContact O-CG 3.26Å
473W98.7Very high97.7Very high0 Ų026.6 Ų26.60%012%0.124CC..  trans-97.4-6.1-170.8-77.925.2000115W356 W358 M360 Y421 V469 E475 Y476 F480 F510W356-W473 AromaticContact CD1-CH2 3.62Å; W356-W473 AromaticContact CD1-CZ2 3.62Å; W356-W473 HydrophobicContact CG-CZ2 4.48Å; W356-W473 AromaticContact NE1-CH2 3.59Å; W356-W473 AromaticContact NE1-CZ2 3.38Å; W358-W473 HydrophobicContact CE3-CH2 4.26Å; W358-W473 AromaticContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CE3-CZ3 3.8Å; W358-W473 HydrophobicContact CZ3-CZ3 4.15Å; M360-W473 HydrophobicContact CG-CZ2 4.27Å; Y421-W473 AromaticContact CD2-NE1 3.92Å; Y421-W473 AromaticContact CE2-CD1 3.89Å; Y421-W473 AromaticContact CE2-NE1 3.11Å; Y421-W473 AromaticContact CZ-NE1 3.34Å; Y421-W473 VanDerWaalsContact CZ-NE1 3.34Å; Y421-W473 PolarHBondContact OH-NE1 3.35Å; V469-W473 HydrophobicContact CB-CD2 4.48Å; V469-W473 HydrophobicContact CB-CG 4.44Å; V469-W473 HydrophobicContact CG1-CB 4.15Å; V469-W473 HydrophobicContact CG1-CD2 4.39Å; V469-W473 HydrophobicContact CG1-CE3 4.27Å; V469-W473 HydrophobicContact CG1-CG 4.36Å; V469-W473 HydrophobicContact CG2-CD2 3.87Å; V469-W473 HydrophobicContact CG2-CE3 3.99Å; V469-W473 HydrophobicContact CG2-CG 4.27Å; V469-W473 HydrophobicContact CG2-CZ3 4.36Å; V469-W473 WeakPolarHBondContact O-CB 3.14Å; V469-W473 PolarHBondContact O-N 2.78Å; W473-E475 PolarHBondContact O-N 2.83Å; W473-Y476 WeakPolarHBondContact O-CA 3.5Å; W473-Y476 VanDerWaalsContact O-CB 3.29Å; W473-Y476 WeakPolarHBondContact O-CB 3.22Å; W473-Y476 PolarHBondContact O-N 3.08Å; W473-F480 HydrophobicContact CE3-CB 4.11Å; W473-F480 HydrophobicContact CZ3-CB 3.82Å; W473-F510 HydrophobicContact CB-CD1 4.39Å; W473-F510 HydrophobicContact CB-CE1 4.48Å; W473-F510 HydrophobicContact CB-CG 4.47Å; W473-F510 AromaticContact CD1-CD2 3.87Å; W473-F510 AromaticContact CD1-CE2 3.4Å; W473-F510 VanDerWaalsContact CD1-CE2 3.4Å; W473-F510 AromaticContact CD1-CZ 3.58Å; W473-F510 HydrophobicContact CD2-CE1 4.2Å; W473-F510 AromaticContact CD2-CZ 3.99Å; W473-F510 HydrophobicContact CD2-CZ 3.99Å; W473-F510 AromaticContact CE2-CZ 3.8Å; W473-F510 HydrophobicContact CG-CD1 4.41Å; W473-F510 HydrophobicContact CG-CD2 4.4Å; W473-F510 HydrophobicContact CG-CE1 4.07Å; W473-F510 HydrophobicContact CG-CE2 4.07Å; W473-F510 AromaticContact CG-CZ 3.88Å; W473-F510 HydrophobicContact CG-CZ 3.88Å; W473-F510 AromaticContact NE1-CE2 3.55Å; W473-F510 AromaticContact NE1-CZ 3.51Å
474D98.6Very high97.7Very high49 Ų4926.5 Ų26.526%0.26212%0.122SC..G310 helixtrans48.8-129.4-178.7-56.7-35.4000111.7Y476 K477 R502 F510D474-Y476 PolarHBondContact O-N 3.18Å; D474-K477 WeakPolarHBondContact O-CD 3.4Å; D474-K477 WeakPolarHBondContact O-CG 3.35Å; D474-K477 PolarHBondContact O-N 3.2Å; D474-R502 VanDerWaalsContact CG-NH2 3.31Å; D474-R502 IonicContact OD1-CZ 2.75Å; D474-R502 VanDerWaalsContact OD1-CZ 3.3Å; D474-R502 IonicContact OD1-NH1 2.59Å; D474-R502 PolarHBondContact OD1-NH1 2.79Å; D474-R502 IonicContact OD1-NH2 3.61Å; D474-R502 PolarHBondContact OD1-NH2 3.05Å; D474-R502 VanDerWaalsContact OD1-NH2 3.11Å; D474-R502 IonicContact OD2-CZ 3.75Å; D474-R502 IonicContact OD2-NH1 3.3Å; D474-R502 IonicContact OD2-NH2 3.33Å; D474-R502 PolarHBondContact OD2-NH2 3.05Å; D474-F510 HydrophobicContact CB-CB 4.35Å; D474-F510 PolarHBondContact OD2-N 3.2Å
475E98.2Very high97.5Very high105 Ų10526.6 Ų26.649%0.49112%0.123SC..G310 helixtrans-63.9-18.3176.263.3-91-155.200114.5W473 K477 D478W473-E475 PolarHBondContact O-N 2.83Å; E475-K477 PolarHBondContact O-N 3.08Å; E475-D478 PolarHBondContact O-N 3.03Å
476Y98.5Very high97.2Very high31 Ų3127.5 Ų27.512%0.12213%0.128CC..G310 helixtrans-73.8-10.3-179.5-73.2-106.5000113.2W358 W473 D474 D478 Y479 F510 K511 M514 L527W358-Y476 AromaticContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CD1 3.62Å; W358-Y476 HydrophobicContact CH2-CE1 4.02Å; W358-Y476 AromaticContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CD1 3.62Å; W358-Y476 HydrophobicContact CZ3-CE1 4.46Å; W358-Y476 HydrophobicContact CZ3-CG 4.43Å; W473-Y476 WeakPolarHBondContact O-CA 3.5Å; W473-Y476 VanDerWaalsContact O-CB 3.29Å; W473-Y476 WeakPolarHBondContact O-CB 3.22Å; W473-Y476 PolarHBondContact O-N 3.08Å; D474-Y476 PolarHBondContact O-N 3.18Å; Y476-D478 PolarHBondContact O-N 3.15Å; Y476-Y479 AromaticContact CD1-CD2 3.69Å; Y476-Y479 HydrophobicContact CD1-CD2 3.69Å; Y476-Y479 AromaticContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CE1-CE2 4.17Å; Y476-Y479 HydrophobicContact CG-CD2 4.13Å; Y476-Y479 HydrophobicContact CG-CE2 4.16Å; Y476-Y479 WeakPolarHBondContact O-CB 3.41Å; Y476-Y479 WeakPolarHBondContact O-CD2 3.22Å; Y476-Y479 PolarHBondContact O-N 3.01Å; Y476-Y479 VanDerWaalsContact O-N 3.07Å; Y476-F510 HydrophobicContact CD1-CD1 4.27Å; Y476-F510 HydrophobicContact CD1-CE1 4.18Å; Y476-F510 AromaticContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CE1 4.29Å; Y476-F510 HydrophobicContact CE2-CD1 4.22Å; Y476-F510 AromaticContact CG-CD1 3.59Å; Y476-F510 HydrophobicContact CG-CD1 3.59Å; Y476-F510 AromaticContact CG-CE1 3.85Å; Y476-F510 HydrophobicContact CG-CE1 3.85Å; Y476-K511 HydrophobicContact CE2-CB 4.17Å; Y476-M514 HydrophobicContact CD1-CG 4.42Å; Y476-M514 HydrophobicContact CE1-CB 4.44Å; Y476-M514 HydrophobicContact CE1-CG 3.98Å; Y476-L527 HydrophobicContact CD1-CD2 4.39Å; Y476-L527 HydrophobicContact CE1-CD2 4.33Å
477K98.2Very high96.9Very high64 Ų6427.5 Ų27.528%0.27813%0.128SC..Hα-helixtrans-58.4-26.117369.8-169.4-174.1170.80113.2V469 E470 D474 E475 Y479 F480 Y481V469-K477 HydrophobicContact CG1-CB 3.31Å; E470-K477 IonicContact OE1-NZ 2.62Å; E470-K477 IonicContact OE2-NZ 3.32Å; E470-K477 PolarHBondContact OE2-NZ 3.44Å; D474-K477 WeakPolarHBondContact O-CD 3.4Å; D474-K477 WeakPolarHBondContact O-CG 3.35Å; D474-K477 PolarHBondContact O-N 3.2Å; E475-K477 PolarHBondContact O-N 3.08Å; K477-Y479 PolarHBondContact O-N 3.11Å; K477-F480 WeakPolarHBondContact O-CB 3.43Å; K477-F480 PolarHBondContact O-N 3.15Å; K477-F480 VanDerWaalsContact O-N 3.1Å; K477-Y481 HydrophobicContact CB-CD2 4.31Å; K477-Y481 HydrophobicContact CB-CE2 4.13Å; K477-Y481 HydrophobicContact CD-CE2 4.4Å; K477-Y481 HydrophobicContact CG-CD2 4.39Å; K477-Y481 HydrophobicContact CG-CE2 4.22Å; K477-Y481 WeakPolarHBondContact O-CD2 3.45Å; K477-Y481 PolarHBondContact O-N 3.21Å
478D97.4Very high96.5Very high91 Ų9131.8 Ų31.849%0.48715%0.148SC..Hα-helixtrans-59.1-37.4175.4-71.30.4000111.8E475 Y476 Y481 A482E475-D478 PolarHBondContact O-N 3.03Å; Y476-D478 PolarHBondContact O-N 3.15Å; D478-Y481 PolarHBondContact O-N 3.35Å; D478-A482 WeakPolarHBondContact O-CB 3.28Å; D478-A482 PolarHBondContact O-N 3.3Å
479Y97.8Very high96Very high73 Ų7335 Ų3529%0.28618%0.175SC..Hα-helixtrans-71-33.3177.3-57.4-60.7000112.4W358 Y476 K477 S483 L527 P528W358-Y479 HydrophobicContact CE3-CD2 4.35Å; W358-Y479 HydrophobicContact CE3-CG 4.34Å; W358-Y479 HydrophobicContact CZ3-CD2 4.29Å; Y476-Y479 AromaticContact CD1-CD2 3.69Å; Y476-Y479 HydrophobicContact CD1-CD2 3.69Å; Y476-Y479 AromaticContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CD1-CE2 3.68Å; Y476-Y479 HydrophobicContact CE1-CE2 4.17Å; Y476-Y479 HydrophobicContact CG-CD2 4.13Å; Y476-Y479 HydrophobicContact CG-CE2 4.16Å; Y476-Y479 WeakPolarHBondContact O-CB 3.41Å; Y476-Y479 WeakPolarHBondContact O-CD2 3.22Å; Y476-Y479 PolarHBondContact O-N 3.01Å; Y476-Y479 VanDerWaalsContact O-N 3.07Å; K477-Y479 PolarHBondContact O-N 3.11Å; Y479-S483 WeakPolarHBondContact O-CB 3.35Å; Y479-S483 PolarHBondContact O-N 2.94Å; Y479-S483 VanDerWaalsContact O-N 3.07Å; Y479-S483 PolarHBondContact O-OG 3.49Å; Y479-L527 HydrophobicContact CD1-CB 4.11Å; Y479-L527 HydrophobicContact CD1-CD2 4.13Å; Y479-L527 HydrophobicContact CD2-CD2 3.7Å; Y479-L527 HydrophobicContact CE1-CB 3.88Å; Y479-L527 HydrophobicContact CE1-CD1 4.32Å; Y479-L527 HydrophobicContact CE1-CD2 4.1Å; Y479-L527 HydrophobicContact CE1-CG 4.33Å; Y479-L527 HydrophobicContact CE2-CD1 4.33Å; Y479-L527 HydrophobicContact CE2-CD2 3.67Å; Y479-L527 HydrophobicContact CG-CD2 3.94Å; Y479-P528 HydrophobicContact CD1-CG 4.09Å; Y479-P528 HydrophobicContact CG-CG 4.41Å; Y479-P528 WeakPolarHBondContact O-CG 3.41Å
480F97.8Very high95.6Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-65.6-49172.3174.5-97.1000111.4W358 M360 V466 V469 W473 K477 A482 S483 R484 S487W358-F480 VanDerWaalsContact O-CA 3.31Å; W358-F480 WeakPolarHBondContact O-CA 3.17Å; M360-F480 HydrophobicContact CB-CD2 4.25Å; M360-F480 HydrophobicContact CB-CE2 4.07Å; V466-F480 HydrophobicContact CG2-CE1 4.07Å; V466-F480 HydrophobicContact CG2-CZ 4.39Å; V469-F480 HydrophobicContact CB-CD1 4.37Å; V469-F480 HydrophobicContact CB-CG 4.49Å; V469-F480 HydrophobicContact CG1-CB 4.07Å; V469-F480 HydrophobicContact CG1-CD1 4.03Å; V469-F480 HydrophobicContact CG1-CG 4.16Å; V469-F480 HydrophobicContact CG2-CB 4.2Å; V469-F480 HydrophobicContact CG2-CD1 4.09Å; V469-F480 HydrophobicContact CG2-CD2 3.94Å; V469-F480 HydrophobicContact CG2-CE1 4.47Å; V469-F480 HydrophobicContact CG2-CE2 4.33Å; V469-F480 HydrophobicContact CG2-CG 3.8Å; W473-F480 HydrophobicContact CE3-CB 4.11Å; W473-F480 HydrophobicContact CZ3-CB 3.82Å; K477-F480 WeakPolarHBondContact O-CB 3.43Å; K477-F480 PolarHBondContact O-N 3.15Å; K477-F480 VanDerWaalsContact O-N 3.1Å; F480-A482 VanDerWaalsContact C-N 3.28Å; F480-A482 PolarHBondContact O-N 2.83Å; F480-S483 PolarHBondContact O-N 3.07Å; F480-R484 HydrophobicContact CZ-CB 4.44Å; F480-R484 PolarHBondContact O-N 3Å; F480-S487 WeakPolarHBondContact CE1-OG 3.44Å
481Y97.1Very high95.2Very high26 Ų2638.2 Ų38.210%0.10220%0.198CC..Hα-helixtrans-69.6-23.2178.4-68.8-54.2000113.7V466 E470 K477 D478 P485 Q488V466-Y481 HydrophobicContact CG1-CE1 4.46Å; V466-Y481 WeakPolarHBondContact CG1-OH 3.34Å; E470-Y481 WeakPolarHBondContact OE1-CE2 3.4Å; E470-Y481 PolarHBondContact OE1-OH 3.37Å; K477-Y481 HydrophobicContact CB-CD2 4.31Å; K477-Y481 HydrophobicContact CB-CE2 4.13Å; K477-Y481 HydrophobicContact CD-CE2 4.4Å; K477-Y481 HydrophobicContact CG-CD2 4.39Å; K477-Y481 HydrophobicContact CG-CE2 4.22Å; K477-Y481 WeakPolarHBondContact O-CD2 3.45Å; K477-Y481 PolarHBondContact O-N 3.21Å; D478-Y481 PolarHBondContact O-N 3.35Å; Y481-P485 WeakPolarHBondContact O-CA 3.46Å; Y481-P485 WeakPolarHBondContact O-CB 3.28Å; Y481-Q488 HydrophobicContact CD1-CB 4.32Å; Y481-Q488 HydrophobicContact CD1-CG 3.61Å; Y481-Q488 HydrophobicContact CE1-CG 4.36Å; Y481-Q488 HydrophobicContact CG-CG 3.93Å; Y481-Q488 PolarHBondContact O-NE2 3.5Å
482A95.5Very high94.9Very high8 Ų841.4 Ų41.47%0.06621%0.21CC..Hα-helixtrans-70.8-38.3167.400000111.6D478 F480 P528 N531 R572D478-A482 WeakPolarHBondContact O-CB 3.28Å; D478-A482 PolarHBondContact O-N 3.3Å; F480-A482 VanDerWaalsContact C-N 3.28Å; F480-A482 PolarHBondContact O-N 2.83Å; A482-P528 HydrophobicContact CB-CG 4.4Å; A482-N531 WeakPolarHBondContact CA-ND2 3.13Å; A482-N531 PolarHBondContact O-ND2 3.28Å; A482-N531 PolarHBondContact O-OD1 3.17Å; A482-R572 VanDerWaalsContact O-CD 3.24Å; A482-R572 WeakPolarHBondContact O-CD 3.49Å
483S95.1Very high94.7Very high9 Ų943.8 Ų43.86%0.06324%0.235CC..Hα-helixtrans-75.3-39-179.4-56.90000112.9W358 S359 Y479 F480 R572W358-S483 WeakPolarHBondContact CB-OG 3.37Å; W358-S483 WeakPolarHBondContact O-CB 3.26Å; W358-S483 PolarHBondContact O-OG 3.36Å; S359-S483 WeakPolarHBondContact OG-CB 3.41Å; Y479-S483 WeakPolarHBondContact O-CB 3.35Å; Y479-S483 PolarHBondContact O-N 2.94Å; Y479-S483 VanDerWaalsContact O-N 3.07Å; Y479-S483 PolarHBondContact O-OG 3.49Å; F480-S483 PolarHBondContact O-N 3.07Å; S483-R572 PolarHBondContact O-NH1 3.21Å; S483-R572 VanDerWaalsContact O-NH1 3.09Å
484R93.9Very high94.7Very high39 Ų3949.1 Ų49.115%0.14726%0.264CS..  trans-126.967.4-179.1-64.8-168.7-179.6-132.3-2111.4S359 F480 E486 S487S359-R484 PolarHBondContact O-NE 3.01Å; S359-R484 PolarHBondContact O-NH2 2.89Å; F480-R484 HydrophobicContact CZ-CB 4.44Å; F480-R484 PolarHBondContact O-N 3Å; R484-E486 WeakPolarHBondContact CA-OE2 3.42Å; R484-E486 PolarHBondContact O-N 2.89Å; R484-S487 WeakPolarHBondContact O-CB 3.42Å; R484-S487 PolarHBondContact O-N 3.42Å; R484-S487 PolarHBondContact O-OG 2.94Å
485P93.8Very high94.7Very high3 Ų347.4 Ų47.42%0.01925%0.254CS..G310 helixtrans-64.3-21.2-176.530.2-37.7000113.4Y481 S487 Q488 W534Y481-P485 WeakPolarHBondContact O-CA 3.46Å; Y481-P485 WeakPolarHBondContact O-CB 3.28Å; P485-S487 PolarHBondContact O-N 2.8Å; P485-Q488 WeakPolarHBondContact O-CG 3.33Å; P485-Q488 PolarHBondContact O-N 2.97Å; P485-W534 HydrophobicContact CB-CB 4.08Å; P485-W534 HydrophobicContact CB-CD2 3.47Å; P485-W534 VanDerWaalsContact CB-CD2 3.47Å; P485-W534 HydrophobicContact CB-CE3 4.03Å; P485-W534 HydrophobicContact CB-CG 3.46Å; P485-W534 VanDerWaalsContact CB-CG 3.46Å; P485-W534 HydrophobicContact CB-CZ2 4.38Å; P485-W534 HydrophobicContact CG-CB 3.63Å; P485-W534 HydrophobicContact CG-CD2 3.65Å; P485-W534 HydrophobicContact CG-CE3 3.86Å; P485-W534 HydrophobicContact CG-CG 3.54Å; P485-W534 WeakPolarHBondContact O-CZ2 3.48Å
486E90.3Very high94.7Very high34 Ų3445.9 Ų45.916%0.15926%0.255CS..G310 helixtrans-59.3-17.417269.5-82.2-16600114L462 R484 W534 L570L462-E486 HydrophobicContact CD2-CG 4.28Å; R484-E486 WeakPolarHBondContact CA-OE2 3.42Å; R484-E486 PolarHBondContact O-N 2.89Å; E486-W534 HydrophobicContact CB-CZ3 4.08Å; E486-L570 HydrophobicContact CB-CD2 3.86Å; E486-L570 HydrophobicContact CG-CD2 3.97Å; E486-L570 WeakPolarHBondContact OE2-CD2 3.34Å
487S92.1Very high94.7Very high0 Ų052.1 Ų52.10%029%0.285CS..G310 helixtrans-91.6-7.7-178.868.80000114.8F480 R484 P485 A489 L490F480-S487 WeakPolarHBondContact CE1-OG 3.44Å; R484-S487 WeakPolarHBondContact O-CB 3.42Å; R484-S487 PolarHBondContact O-N 3.42Å; R484-S487 PolarHBondContact O-OG 2.94Å; P485-S487 PolarHBondContact O-N 2.8Å; S487-A489 VanDerWaalsContact C-N 3.34Å; S487-A489 PolarHBondContact O-N 3.45Å; S487-L490 VanDerWaalsContact O-CB 3.29Å; S487-L490 WeakPolarHBondContact O-CB 3.46Å; S487-L490 PolarHBondContact O-N 3.32Å
488Q90.4Very high94.7Very high103 Ų10349.9 Ų49.948%0.48128%0.277SS..THydrogen-bonded Turntrans-60.7-38.2-172.3-73.3-178.626.200114Y481 P485Y481-Q488 HydrophobicContact CD1-CB 4.32Å; Y481-Q488 HydrophobicContact CD1-CG 3.61Å; Y481-Q488 HydrophobicContact CE1-CG 4.36Å; Y481-Q488 HydrophobicContact CG-CG 3.93Å; Y481-Q488 PolarHBondContact O-NE2 3.5Å; P485-Q488 WeakPolarHBondContact O-CG 3.33Å; P485-Q488 PolarHBondContact O-N 2.97Å
489A87.9Confident94.7Very high68 Ų6849.3 Ų49.356%0.56227%0.27SS*.THydrogen-bonded Turntrans-103.415.8-178.100000112.9S487S487-A489 VanDerWaalsContact C-N 3.34Å; S487-A489 PolarHBondContact O-N 3.45Å
490L89.8Confident94.7Very high11 Ų1151.7 Ų51.76%0.05828%0.281CS..  trans-76.3128.1-173.8-166.371.4000110.6L462 K463 V466 S487 Y492L462-L490 HydrophobicContact CB-CD2 4.28Å; L462-L490 HydrophobicContact CD2-CD2 4.05Å; L462-L490 HydrophobicContact CG-CD2 3.86Å; K463-L490 HydrophobicContact CB-CD2 4.26Å; K463-L490 HydrophobicContact CG-CD1 4.46Å; K463-L490 HydrophobicContact CG-CD2 3.53Å; K463-L490 HydrophobicContact CG-CG 3.93Å; V466-L490 HydrophobicContact CG2-CD2 4.1Å; S487-L490 VanDerWaalsContact O-CB 3.29Å; S487-L490 WeakPolarHBondContact O-CB 3.46Å; S487-L490 PolarHBondContact O-N 3.32Å; L490-Y492 WeakPolarHBondContact O-CD1 3.31Å; L490-Y492 PolarHBondContact O-N 2.57Å
491P90.9Very high94.7Very high83 Ų8353.1 Ų53.154%0.53929%0.288SS..  trans-72100.5175.327.7-33000110.2
492Y93.1Very high94.8Very high71 Ų7153.3 Ų53.328%0.27829%0.288SS..  trans-93.53.2-177.155.4-103.2000114.3V466 R467 E470 L490 I495V466-Y492 HydrophobicContact CB-CD1 4.22Å; V466-Y492 HydrophobicContact CB-CG 4.37Å; V466-Y492 HydrophobicContact CG1-CD1 3.29Å; V466-Y492 HydrophobicContact CG1-CE1 3.87Å; V466-Y492 HydrophobicContact CG1-CG 3.8Å; R467-Y492 WeakPolarHBondContact CD-O 3.31Å; R467-Y492 VanDerWaalsContact CG-O 3.22Å; R467-Y492 WeakPolarHBondContact CG-O 3.41Å; R467-Y492 PolarHBondContact NH1-O 3.37Å; E470-Y492 HydrophobicContact CG-CE1 4.12Å; E470-Y492 HydrophobicContact CG-CE2 4.42Å; L490-Y492 WeakPolarHBondContact O-CD1 3.31Å; L490-Y492 PolarHBondContact O-N 2.57Å; Y492-I495 HydrophobicContact CD2-CD1 4.46Å; Y492-I495 HydrophobicContact CD2-CG2 4.13Å; Y492-I495 HydrophobicContact CE2-CD1 3.72Å; Y492-I495 HydrophobicContact CE2-CG1 4.14Å; Y492-I495 HydrophobicContact CE2-CG2 4.34Å
493G94.6Very high94.9Very high52 Ų5259.1 Ų59.154%0.53631%0.314SS..  trans78-173.4177.600000114
494D97.4Very high95Very high112 Ų11261.7 Ų61.760%0.59933%0.327SS*.  trans-75.5134.3-178.5-170.78.7000111.5R467 S496R467-D494 PolarHBondContact NH1-O 3.01Å; R467-D494 PolarHBondContact NH2-O 3.37Å; D494-S496 WeakPolarHBondContact OD1-CB 3.45Å; D494-S496 PolarHBondContact OD1-N 2.81Å; D494-S496 PolarHBondContact OD1-OG 2.9Å
495I98.4Very high95.2Very high12 Ų1261.4 Ų61.46%0.06233%0.327CS..  trans-127.712.2178.260.8173.2000112R467 E470 V471 Y492 E497 L498 K499R467-I495 HydrophobicContact CB-CG2 4.38Å; R467-I495 HydrophobicContact CG-CG2 4.28Å; E470-I495 HydrophobicContact CB-CD1 3.63Å; V471-I495 HydrophobicContact CG2-CB 3.88Å; V471-I495 HydrophobicContact CG2-CD1 4.05Å; V471-I495 HydrophobicContact CG2-CG1 4.47Å; V471-I495 HydrophobicContact CG2-CG2 4.23Å; Y492-I495 HydrophobicContact CD2-CD1 4.46Å; Y492-I495 HydrophobicContact CD2-CG2 4.13Å; Y492-I495 HydrophobicContact CE2-CD1 3.72Å; Y492-I495 HydrophobicContact CE2-CG1 4.14Å; Y492-I495 HydrophobicContact CE2-CG2 4.34Å; I495-E497 PolarHBondContact O-N 2.86Å; I495-L498 HydrophobicContact CB-CD1 4.25Å; I495-L498 HydrophobicContact CG2-CD1 4.19Å; I495-L498 PolarHBondContact O-N 3.18Å; I495-K499 HydrophobicContact CD1-CD 4.23Å; I495-K499 HydrophobicContact CG1-CD 4.38Å; I495-K499 PolarHBondContact O-N 3.48Å
496S98.4Very high95.3Very high74 Ų7465.9 Ų65.952%0.51735%0.351SS..Hα-helixtrans-60.8-45.9-173.8-58.10000112.2D494 L498 K499 K500D494-S496 WeakPolarHBondContact OD1-CB 3.45Å; D494-S496 PolarHBondContact OD1-N 2.81Å; D494-S496 PolarHBondContact OD1-OG 2.9Å; S496-L498 VanDerWaalsContact C-N 3.31Å; S496-L498 PolarHBondContact O-N 3.16Å; S496-K499 PolarHBondContact O-N 3.44Å; S496-K500 WeakPolarHBondContact O-CB 3.29Å; S496-K500 PolarHBondContact O-N 3.11Å
497E98Very high95.7Very high161 Ų16165.1 Ų65.175%0.75235%0.35SS*.Hα-helixtrans-65.4-34178.5-64.9-173.3169.900112.5I495 K500 F501I495-E497 PolarHBondContact O-N 2.86Å; E497-K500 PolarHBondContact O-N 2.85Å; E497-F501 WeakPolarHBondContact O-CB 3.08Å; E497-F501 PolarHBondContact O-N 3Å
498L98.3Very high96Very high18 Ų1869.9 Ų69.99%0.09437%0.37CS..Hα-helixtrans-70.6-41.8178.2-64.2160.2000111.6D406 V471 I495 S496 F501 R502D406-L498 HydrophobicContact CB-CD1 4.11Å; D406-L498 HydrophobicContact CB-CD2 3.79Å; D406-L498 VanDerWaalsContact CG-CD1 3.42Å; D406-L498 WeakPolarHBondContact OD1-CD1 3.47Å; V471-L498 HydrophobicContact CG1-CB 4Å; V471-L498 HydrophobicContact CG2-CB 3.84Å; V471-L498 HydrophobicContact CG2-CD1 4.2Å; I495-L498 HydrophobicContact CB-CD1 4.25Å; I495-L498 HydrophobicContact CG2-CD1 4.19Å; I495-L498 PolarHBondContact O-N 3.18Å; S496-L498 VanDerWaalsContact C-N 3.31Å; S496-L498 PolarHBondContact O-N 3.16Å; L498-F501 WeakPolarHBondContact O-CB 3.38Å; L498-F501 PolarHBondContact O-N 3.33Å; L498-R502 PolarHBondContact O-N 3.12Å; L498-R502 VanDerWaalsContact O-N 3.13Å
499K98.4Very high96.4Very high78 Ų7867.5 Ų67.534%0.33937%0.365SS..Hα-helixtrans-64-44.6173.6-75-175.1169.3175.10110.9E470 V471 I495 S496 F501 R502 E503E470-K499 WeakPolarHBondContact O-CE 3.38Å; V471-K499 HydrophobicContact CG2-CG 4.32Å; I495-K499 HydrophobicContact CD1-CD 4.23Å; I495-K499 HydrophobicContact CG1-CD 4.38Å; I495-K499 PolarHBondContact O-N 3.48Å; S496-K499 PolarHBondContact O-N 3.44Å; K499-F501 PolarHBondContact O-N 3.01Å; K499-R502 WeakPolarHBondContact O-CB 3.23Å; K499-R502 PolarHBondContact O-N 3.5Å; K499-R502 VanDerWaalsContact O-N 3.17Å; K499-E503 WeakPolarHBondContact O-CG 3.39Å; K499-E503 PolarHBondContact O-N 3.32Å
500K97.9Very high97Very high123 Ų12364.3 Ų64.354%0.53534%0.338SS..Hα-helixtrans-60.1-43.8174.9-178.4171.2-179.3173.30112.2S496 E497 R502 E503 D504S496-K500 WeakPolarHBondContact O-CB 3.29Å; S496-K500 PolarHBondContact O-N 3.11Å; E497-K500 PolarHBondContact O-N 2.85Å; K500-R502 VanDerWaalsContact C-N 3.28Å; K500-R502 PolarHBondContact O-N 2.87Å; K500-E503 PolarHBondContact O-N 3.39Å; K500-D504 WeakPolarHBondContact CE-OD2 3.27Å; K500-D504 VanDerWaalsContact CG-OD2 3.31Å; K500-D504 WeakPolarHBondContact CG-OD2 3.29Å; K500-D504 WeakPolarHBondContact O-CB 3.15Å; K500-D504 VanDerWaalsContact O-CG 3.29Å; K500-D504 PolarHBondContact O-N 3.25Å
501F98.4Very high97.4Very high31 Ų3168.3 Ų68.314%0.13636%0.355CS..Hα-helixtrans-53.7-47.4174.2169.4-88.1000111.5E401 L402 K422 W472 E497 L498 K499 D504 H505E401-F501 WeakPolarHBondContact O-CE2 3.4Å; L402-F501 HydrophobicContact CD2-CZ 4.41Å; K422-F501 HydrophobicContact CG-CE1 4.49Å; W472-F501 HydrophobicContact CH2-CD1 4.24Å; W472-F501 HydrophobicContact CH2-CE1 4.15Å; W472-F501 HydrophobicContact CZ2-CD1 4.45Å; E497-F501 WeakPolarHBondContact O-CB 3.08Å; E497-F501 PolarHBondContact O-N 3Å; L498-F501 WeakPolarHBondContact O-CB 3.38Å; L498-F501 PolarHBondContact O-N 3.33Å; K499-F501 PolarHBondContact O-N 3.01Å; F501-D504 PolarHBondContact O-N 3.5Å; F501-H505 AromaticContact CD2-CE1 3.45Å; F501-H505 VanDerWaalsContact CD2-CE1 3.45Å; F501-H505 WeakPolarHBondContact CD2-CE1 3.35Å; F501-H505 AromaticContact CD2-ND1 3.54Å; F501-H505 AromaticContact CE2-CE1 3.24Å; F501-H505 WeakPolarHBondContact CE2-CE1 3.32Å; F501-H505 AromaticContact CE2-ND1 3.47Å; F501-H505 WeakPolarHBondContact CE2-ND1 3.32Å; F501-H505 AromaticContact CE2-NE2 3.85Å; F501-H505 AromaticContact CZ-CE1 4Å; F501-H505 AromaticContact CZ-ND1 3.88Å; F501-H505 PolarHBondContact O-N 3.12Å; F501-H505 VanDerWaalsContact O-N 3.16Å; F501-H505 PolarHBondContact O-ND1 3.16Å
502R98.3Very high97.8Very high30 Ų3067.8 Ų67.811%0.11334%0.343CS..Hα-helixtrans-63.1-41.6-180-171179.8178.8-150.8-8.4112.2V471 W472 D474 L498 K499 K500 N506 C507 K508V471-R502 WeakPolarHBondContact O-CD 3.47Å; V471-R502 PolarHBondContact O-NH1 3.16Å; W472-R502 HydrophobicContact CE3-CG 4.36Å; W472-R502 HydrophobicContact CH2-CB 4.24Å; W472-R502 HydrophobicContact CH2-CG 4.13Å; W472-R502 HydrophobicContact CZ3-CB 4.39Å; W472-R502 HydrophobicContact CZ3-CG 3.79Å; D474-R502 VanDerWaalsContact CG-NH2 3.31Å; D474-R502 IonicContact OD1-CZ 2.75Å; D474-R502 VanDerWaalsContact OD1-CZ 3.3Å; D474-R502 IonicContact OD1-NH1 2.59Å; D474-R502 PolarHBondContact OD1-NH1 2.79Å; D474-R502 IonicContact OD1-NH2 3.61Å; D474-R502 PolarHBondContact OD1-NH2 3.05Å; D474-R502 VanDerWaalsContact OD1-NH2 3.11Å; D474-R502 IonicContact OD2-CZ 3.75Å; D474-R502 IonicContact OD2-NH1 3.3Å; D474-R502 IonicContact OD2-NH2 3.33Å; D474-R502 PolarHBondContact OD2-NH2 3.05Å; L498-R502 PolarHBondContact O-N 3.12Å; L498-R502 VanDerWaalsContact O-N 3.13Å; K499-R502 WeakPolarHBondContact O-CB 3.23Å; K499-R502 PolarHBondContact O-N 3.5Å; K499-R502 VanDerWaalsContact O-N 3.17Å; K500-R502 VanDerWaalsContact C-N 3.28Å; K500-R502 PolarHBondContact O-N 2.87Å; R502-N506 PolarHBondContact O-N 3.26Å; R502-C507 HydrophobicContact CG-CB 3.8Å; R502-C507 PolarHBondContact O-N 3.07Å; R502-C507 VanDerWaalsContact O-N 3.09Å; R502-K508 PolarHBondContact NH2-O 3.04Å
503E97.6Very high98Very high129 Ų12964.4 Ų64.460%0.60333%0.329SS*.Hα-helixtrans-67.6-48.3176.9-71173.4-16600112.2K499 K500 H505 N506K499-E503 WeakPolarHBondContact O-CG 3.39Å; K499-E503 PolarHBondContact O-N 3.32Å; K500-E503 PolarHBondContact O-N 3.39Å; E503-H505 VanDerWaalsContact C-N 3.29Å; E503-H505 PolarHBondContact O-N 3.03Å; E503-N506 PolarHBondContact O-N 2.92Å
504D97Very high98.2Very high63 Ų6362.3 Ų62.334%0.33731%0.306SS..Hα-helixtrans-64.7-32.8-175.7-72.5-16.7000112.1L113 K500 F501 N506L113-D504 HydrophobicContact CD1-CB 3.83Å; L113-D504 HydrophobicContact CG-CB 4.33Å; L113-D504 PolarHBondContact N-O 3.38Å; K500-D504 WeakPolarHBondContact CE-OD2 3.27Å; K500-D504 VanDerWaalsContact CG-OD2 3.31Å; K500-D504 WeakPolarHBondContact CG-OD2 3.29Å; K500-D504 WeakPolarHBondContact O-CB 3.15Å; K500-D504 VanDerWaalsContact O-CG 3.29Å; K500-D504 PolarHBondContact O-N 3.25Å; F501-D504 PolarHBondContact O-N 3.5Å; D504-N506 VanDerWaalsContact C-N 3.32Å
505H97.3Very high98.3Very high33 Ų3362.8 Ų62.815%0.15330%0.304CS..THydrogen-bonded Turntrans-88.12.7175.7-67.982.4000113.6F115 F501 E503 C507F115-H505 AromaticContact CE1-CD2 3.78Å; F501-H505 AromaticContact CD2-CE1 3.45Å; F501-H505 VanDerWaalsContact CD2-CE1 3.45Å; F501-H505 WeakPolarHBondContact CD2-CE1 3.35Å; F501-H505 AromaticContact CD2-ND1 3.54Å; F501-H505 AromaticContact CE2-CE1 3.24Å; F501-H505 WeakPolarHBondContact CE2-CE1 3.32Å; F501-H505 AromaticContact CE2-ND1 3.47Å; F501-H505 WeakPolarHBondContact CE2-ND1 3.32Å; F501-H505 AromaticContact CE2-NE2 3.85Å; F501-H505 AromaticContact CZ-CE1 4Å; F501-H505 AromaticContact CZ-ND1 3.88Å; F501-H505 PolarHBondContact O-N 3.12Å; F501-H505 VanDerWaalsContact O-N 3.16Å; F501-H505 PolarHBondContact O-ND1 3.16Å; E503-H505 VanDerWaalsContact C-N 3.29Å; E503-H505 PolarHBondContact O-N 3.03Å; H505-C507 PolarHBondContact O-N 3.32Å
506N97.6Very high98.3Very high97 Ų9766.6 Ų66.652%0.51932%0.322SS..THydrogen-bonded Turntrans50.342.8-179.2-155.856.3000112.6Y112 R502 E503 D504Y112-N506 HydrophobicContact CD1-CB 3.57Å; Y112-N506 HydrophobicContact CE1-CB 3.88Å; Y112-N506 WeakPolarHBondContact CE1-OD1 3.29Å; Y112-N506 HydrophobicContact CG-CB 3.94Å; R502-N506 PolarHBondContact O-N 3.26Å; E503-N506 PolarHBondContact O-N 2.92Å; D504-N506 VanDerWaalsContact C-N 3.32Å
507C98.5Very high98.3Very high19 Ų1963.2 Ų63.213%0.12830%0.298CS..PPolyproline II helixtrans-64.4146.2-177.7-53.40000110.4Q425 C426 W472 R502 H505Q425-C507 HydrophobicContact CB-CB 4.22Å; Q425-C507 CarbonylContact O-C 3.57Å; Q425-C507 WeakPolarHBondContact O-CA 3.21Å; C426-C507 HydrophobicContact CB-CB 4.07Å; C426-C507 WeakPolarHBondContact CB-SG 3.45Å; C426-C507 WeakPolarHBondContact SG-CB 3.47Å; C426-C507 CovalentContact SG-SG 2.05Å; C426-C507 PolarHBondContact SG-SG 3.05Å; W472-C507 HydrophobicContact CZ3-CB 4.48Å; R502-C507 HydrophobicContact CG-CB 3.8Å; R502-C507 PolarHBondContact O-N 3.07Å; R502-C507 VanDerWaalsContact O-N 3.09Å; H505-C507 PolarHBondContact O-N 3.32Å
508K98.7Very high98.3Very high100 Ų10055.5 Ų55.544%0.43526%0.262SS..PPolyproline II helixtrans-66.2158.7-178.9-58-177.5-167.9-56.20111.2Q425 R502 W512Q425-K508 PolarHBondContact O-N 3.33Å; Q425-K508 PolarHBondContact OE1-O 3.26Å; R502-K508 PolarHBondContact NH2-O 3.04Å; K508-W512 HydrophobicContact CB-CB 4.39Å; K508-W512 HydrophobicContact CB-CD2 3.79Å; K508-W512 HydrophobicContact CB-CE3 3.48Å; K508-W512 VanDerWaalsContact CB-CE3 3.48Å; K508-W512 HydrophobicContact CB-CG 4.16Å; K508-W512 HydrophobicContact CB-CZ3 4.11Å; K508-W512 HydrophobicContact CD-CD2 3.35Å; K508-W512 HydrophobicContact CD-CE3 3.55Å; K508-W512 HydrophobicContact CD-CG 4.02Å; K508-W512 HydrophobicContact CD-CH2 3.74Å; K508-W512 HydrophobicContact CD-CZ2 3.54Å; K508-W512 HydrophobicContact CD-CZ3 3.74Å; K508-W512 HydrophobicContact CG-CD2 4.19Å; K508-W512 HydrophobicContact CG-CE3 4.14Å; K508-W512 HydrophobicContact CG-CZ3 4.49Å
509S98.8Very high98.3Very high53 Ų5356.8 Ų56.837%0.37127%0.266SS..PPolyproline II helixtrans-69.7159177.563.40000112.3K511 W512 F513S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 2.6Å; S509-W512 PolarHBondContact O-N 3.42Å; S509-W512 PolarHBondContact OG-N 3Å; S509-F513 PolarHBondContact O-N 3.25Å
510F98.8Very high98.3Very high0 Ų053.6 Ų53.60%025%0.253CS..Hα-helixtrans-65.3-33.1173.9-163.4-108.3000112.2W356 Y421 W472 W473 D474 Y476 W512 F513 M514W356-F510 AromaticContact CZ2-CZ 3.9Å; W356-F510 HydrophobicContact CZ2-CZ 3.9Å; Y421-F510 HydrophobicContact CD1-CE2 4.07Å; Y421-F510 AromaticContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CE2 3.93Å; Y421-F510 HydrophobicContact CE1-CZ 4.5Å; W472-F510 VanDerWaalsContact O-CB 3.32Å; W472-F510 WeakPolarHBondContact O-CB 3.49Å; W472-F510 WeakPolarHBondContact O-CD2 3.42Å; W472-F510 WeakPolarHBondContact O-CG 3.26Å; W473-F510 HydrophobicContact CB-CD1 4.39Å; W473-F510 HydrophobicContact CB-CE1 4.48Å; W473-F510 HydrophobicContact CB-CG 4.47Å; W473-F510 AromaticContact CD1-CD2 3.87Å; W473-F510 AromaticContact CD1-CE2 3.4Å; W473-F510 VanDerWaalsContact CD1-CE2 3.4Å; W473-F510 AromaticContact CD1-CZ 3.58Å; W473-F510 HydrophobicContact CD2-CE1 4.2Å; W473-F510 AromaticContact CD2-CZ 3.99Å; W473-F510 HydrophobicContact CD2-CZ 3.99Å; W473-F510 AromaticContact CE2-CZ 3.8Å; W473-F510 HydrophobicContact CG-CD1 4.41Å; W473-F510 HydrophobicContact CG-CD2 4.4Å; W473-F510 HydrophobicContact CG-CE1 4.07Å; W473-F510 HydrophobicContact CG-CE2 4.07Å; W473-F510 AromaticContact CG-CZ 3.88Å; W473-F510 HydrophobicContact CG-CZ 3.88Å; W473-F510 AromaticContact NE1-CE2 3.55Å; W473-F510 AromaticContact NE1-CZ 3.51Å; D474-F510 HydrophobicContact CB-CB 4.35Å; D474-F510 PolarHBondContact OD2-N 3.2Å; Y476-F510 HydrophobicContact CD1-CD1 4.27Å; Y476-F510 HydrophobicContact CD1-CE1 4.18Å; Y476-F510 AromaticContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CD1 3.57Å; Y476-F510 HydrophobicContact CD2-CE1 4.29Å; Y476-F510 HydrophobicContact CE2-CD1 4.22Å; Y476-F510 AromaticContact CG-CD1 3.59Å; Y476-F510 HydrophobicContact CG-CD1 3.59Å; Y476-F510 AromaticContact CG-CE1 3.85Å; Y476-F510 HydrophobicContact CG-CE1 3.85Å; F510-W512 PolarHBondContact O-N 3.38Å; F510-F513 AromaticContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CE1 4.43Å; F510-F513 AromaticContact CE2-CD1 3.53Å; F510-F513 HydrophobicContact CE2-CD1 3.53Å; F510-F513 AromaticContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CZ-CD1 4.1Å; F510-F513 HydrophobicContact CZ-CE1 4.18Å; F510-F513 WeakPolarHBondContact O-CB 3.24Å; F510-F513 PolarHBondContact O-N 3.36Å; F510-F513 VanDerWaalsContact O-N 3.12Å; F510-M514 HydrophobicContact CD1-CG 3.75Å; F510-M514 HydrophobicContact CE1-CG 3.51Å; F510-M514 HydrophobicContact CE1-SD 3.81Å; F510-M514 HydrophobicContact CZ-CG 4.16Å; F510-M514 HydrophobicContact CZ-SD 4.01Å; F510-M514 WeakPolarHBondContact O-CG 3.36Å; F510-M514 PolarHBondContact O-N 2.82Å
511K98.8Very high98.3Very high95 Ų9547.8 Ų47.841%0.41323%0.227SC..Hα-helixtrans-57.1-47.6172.8-176.9177.1177.6178.90112.1Y476 S509 F513 M514 E515Y476-K511 HydrophobicContact CE2-CB 4.17Å; S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 2.6Å; K511-F513 VanDerWaalsContact C-N 3.27Å; K511-F513 PolarHBondContact O-N 3.47Å; K511-M514 PolarHBondContact O-N 2.72Å; K511-E515 WeakPolarHBondContact CE-OE1 3.37Å; K511-E515 HydrophobicContact CG-CG 4.48Å; K511-E515 IonicContact NZ-OE1 3.83Å; K511-E515 WeakPolarHBondContact O-CG 3.34Å; K511-E515 PolarHBondContact O-N 2.94Å
512W98.8Very high98.2Very high72 Ų7249 Ų4927%0.27324%0.237SC..Hα-helixtrans-56.6-44.9174.4164.883.2000110.9W424 K508 S509 F510 M514 E515 E516 I517W424-W512 WeakPolarHBondContact O-CH2 3.42Å; W424-W512 WeakPolarHBondContact O-CZ3 3.32Å; K508-W512 HydrophobicContact CB-CB 4.39Å; K508-W512 HydrophobicContact CB-CD2 3.79Å; K508-W512 HydrophobicContact CB-CE3 3.48Å; K508-W512 VanDerWaalsContact CB-CE3 3.48Å; K508-W512 HydrophobicContact CB-CG 4.16Å; K508-W512 HydrophobicContact CB-CZ3 4.11Å; K508-W512 HydrophobicContact CD-CD2 3.35Å; K508-W512 HydrophobicContact CD-CE3 3.55Å; K508-W512 HydrophobicContact CD-CG 4.02Å; K508-W512 HydrophobicContact CD-CH2 3.74Å; K508-W512 HydrophobicContact CD-CZ2 3.54Å; K508-W512 HydrophobicContact CD-CZ3 3.74Å; K508-W512 HydrophobicContact CG-CD2 4.19Å; K508-W512 HydrophobicContact CG-CE3 4.14Å; K508-W512 HydrophobicContact CG-CZ3 4.49Å; S509-W512 PolarHBondContact O-N 3.42Å; S509-W512 PolarHBondContact OG-N 3Å; F510-W512 PolarHBondContact O-N 3.38Å; W512-M514 PolarHBondContact O-N 2.68Å; W512-E515 PolarHBondContact O-N 3.3Å; W512-E516 HydrophobicContact CZ2-CB 4.32Å; W512-E516 HydrophobicContact CZ2-CG 3.94Å; W512-E516 VanDerWaalsContact O-CB 3.24Å; W512-E516 WeakPolarHBondContact O-CB 3.46Å; W512-E516 PolarHBondContact O-N 2.89Å; W512-I517 HydrophobicContact CH2-CD1 4.44Å; W512-I517 HydrophobicContact CH2-CG1 3.94Å; W512-I517 HydrophobicContact CZ2-CG1 4.33Å; W512-I517 HydrophobicContact CZ3-CG1 4.39Å
513F98.9Very high98Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-63-42.5-179.7167.3-107.5000112.1W356 P385 Y421 W424 Q425 S509 F510 K511 I517 A518W356-F513 HydrophobicContact CH2-CD1 4.48Å; W356-F513 AromaticContact CH2-CE1 3.27Å; W356-F513 HydrophobicContact CH2-CE1 3.27Å; W356-F513 AromaticContact CH2-CZ 3.52Å; W356-F513 HydrophobicContact CH2-CZ 3.52Å; W356-F513 AromaticContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CE1 3.79Å; W356-F513 HydrophobicContact CZ2-CZ 4.46Å; W356-F513 HydrophobicContact CZ3-CE1 4.28Å; W356-F513 HydrophobicContact CZ3-CZ 4.16Å; P385-F513 HydrophobicContact CB-CZ 4.17Å; Y421-F513 HydrophobicContact CD1-CD1 4.42Å; Y421-F513 AromaticContact CD1-CE1 3.67Å; Y421-F513 HydrophobicContact CD1-CE1 3.67Å; Y421-F513 AromaticContact CD1-CZ 3.85Å; Y421-F513 HydrophobicContact CD1-CZ 3.85Å; Y421-F513 AromaticContact CE1-CE1 3.61Å; Y421-F513 HydrophobicContact CE1-CE1 3.61Å; Y421-F513 AromaticContact CE1-CZ 3.91Å; Y421-F513 HydrophobicContact CE1-CZ 3.91Å; W424-F513 HydrophobicContact CB-CD2 3.69Å; W424-F513 HydrophobicContact CB-CE2 3.78Å; W424-F513 AromaticContact CD1-CE2 3.5Å; W424-F513 VanDerWaalsContact CD1-CE2 3.5Å; W424-F513 HydrophobicContact CG-CD2 4.02Å; W424-F513 AromaticContact CG-CE2 3.7Å; W424-F513 HydrophobicContact CG-CE2 3.7Å; Q425-F513 HydrophobicContact CG-CB 4.17Å; S509-F513 PolarHBondContact O-N 3.25Å; F510-F513 AromaticContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CD1 3.8Å; F510-F513 HydrophobicContact CD2-CE1 4.43Å; F510-F513 AromaticContact CE2-CD1 3.53Å; F510-F513 HydrophobicContact CE2-CD1 3.53Å; F510-F513 AromaticContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CE2-CE1 3.73Å; F510-F513 HydrophobicContact CZ-CD1 4.1Å; F510-F513 HydrophobicContact CZ-CE1 4.18Å; F510-F513 WeakPolarHBondContact O-CB 3.24Å; F510-F513 PolarHBondContact O-N 3.36Å; F510-F513 VanDerWaalsContact O-N 3.12Å; K511-F513 VanDerWaalsContact C-N 3.27Å; K511-F513 PolarHBondContact O-N 3.47Å; F513-I517 HydrophobicContact CD2-CB 3.82Å; F513-I517 HydrophobicContact CD2-CG1 4.18Å; F513-I517 HydrophobicContact CD2-CG2 4.17Å; F513-I517 HydrophobicContact CE2-CB 4Å; F513-I517 HydrophobicContact CE2-CG2 3.84Å; F513-I517 WeakPolarHBondContact O-CB 3.46Å; F513-I517 PolarHBondContact O-N 2.72Å; F513-A518 HydrophobicContact CE1-CB 4.16Å; F513-A518 HydrophobicContact CZ-CB 4.14Å; F513-A518 PolarHBondContact O-N 3.31Å
514M98.7Very high97.8Very high8 Ų850.2 Ų50.24%0.03925%0.254CS..Hα-helixtrans-65.9-33.8176.4-74-60.3-54.300113.2W356 W358 Y476 F510 K511 W512 A518 Y519 I521 T522W356-M514 HydrophobicContact CZ2-SD 3.85Å; W358-M514 HydrophobicContact CH2-CE 3.74Å; W358-M514 HydrophobicContact CH2-SD 4.23Å; W358-M514 HydrophobicContact CZ2-CE 4.09Å; Y476-M514 HydrophobicContact CD1-CG 4.42Å; Y476-M514 HydrophobicContact CE1-CB 4.44Å; Y476-M514 HydrophobicContact CE1-CG 3.98Å; F510-M514 HydrophobicContact CD1-CG 3.75Å; F510-M514 HydrophobicContact CE1-CG 3.51Å; F510-M514 HydrophobicContact CE1-SD 3.81Å; F510-M514 HydrophobicContact CZ-CG 4.16Å; F510-M514 HydrophobicContact CZ-SD 4.01Å; F510-M514 WeakPolarHBondContact O-CG 3.36Å; F510-M514 PolarHBondContact O-N 2.82Å; K511-M514 PolarHBondContact O-N 2.72Å; W512-M514 PolarHBondContact O-N 2.68Å; M514-A518 CarbonylContact O-C 3.21Å; M514-A518 HydrophobicContact SD-CB 4.07Å; M514-Y519 WeakPolarHBondContact O-CA 3.24Å; M514-Y519 PolarHBondContact O-N 2.81Å; M514-I521 HydrophobicContact CE-CB 4.11Å; M514-I521 HydrophobicContact CE-CG2 4.36Å; M514-T522 HydrophobicContact CE-CG2 4.04Å
515E98.4Very high97.7Very high122 Ų12250.2 Ų50.257%0.5725%0.25SS*.Hα-helixtrans-86.8-34.5-178-69.1175.1171.900113.2K511 W512K511-E515 WeakPolarHBondContact CE-OE1 3.37Å; K511-E515 HydrophobicContact CG-CG 4.48Å; K511-E515 IonicContact NZ-OE1 3.83Å; K511-E515 WeakPolarHBondContact O-CG 3.34Å; K511-E515 PolarHBondContact O-N 2.94Å; W512-E515 PolarHBondContact O-N 3.3Å
516E98.4Very high97.5Very high92 Ų9251.2 Ų51.243%0.4326%0.26SS..Hα-helixtrans-95.4-40.5-174.5176.655.9-143.700113.1R383 W512R383-E516 IonicContact NH1-OE1 3.52Å; W512-E516 HydrophobicContact CZ2-CB 4.32Å; W512-E516 HydrophobicContact CZ2-CG 3.94Å; W512-E516 VanDerWaalsContact O-CB 3.24Å; W512-E516 WeakPolarHBondContact O-CB 3.46Å; W512-E516 PolarHBondContact O-N 2.89Å
517I98.6Very high97.4Very high3 Ų349.5 Ų49.52%0.01525%0.25CS..THydrogen-bonded Turntrans-107.5-43.7-171.8-55.4-59000111.4R353 W424 W512 F513R353-I517 PolarHBondContact NH2-O 2.92Å; W424-I517 HydrophobicContact CD2-CD1 4.41Å; W424-I517 HydrophobicContact CD2-CG1 4.14Å; W424-I517 HydrophobicContact CD2-CG2 3.81Å; W424-I517 HydrophobicContact CE3-CD1 3.75Å; W424-I517 HydrophobicContact CE3-CG1 3.86Å; W424-I517 HydrophobicContact CE3-CG2 4.23Å; W424-I517 HydrophobicContact CG-CG2 4.26Å; W424-I517 HydrophobicContact CH2-CD1 4.15Å; W424-I517 HydrophobicContact CH2-CG2 4.35Å; W424-I517 HydrophobicContact CZ2-CG2 3.89Å; W424-I517 HydrophobicContact CZ3-CD1 3.61Å; W424-I517 HydrophobicContact CZ3-CG1 4.23Å; W424-I517 HydrophobicContact CZ3-CG2 4.49Å; W512-I517 HydrophobicContact CH2-CD1 4.44Å; W512-I517 HydrophobicContact CH2-CG1 3.94Å; W512-I517 HydrophobicContact CZ2-CG1 4.33Å; W512-I517 HydrophobicContact CZ3-CG1 4.39Å; F513-I517 HydrophobicContact CD2-CB 3.82Å; F513-I517 HydrophobicContact CD2-CG1 4.18Å; F513-I517 HydrophobicContact CD2-CG2 4.17Å; F513-I517 HydrophobicContact CE2-CB 4Å; F513-I517 HydrophobicContact CE2-CG2 3.84Å; F513-I517 WeakPolarHBondContact O-CB 3.46Å; F513-I517 PolarHBondContact O-N 2.72Å
518A98.5Very high97.2Very high0 Ų049.7 Ų49.70%025%0.251CS..SBendtrans-111.130.1-169.500000113.7W356 P385 F513 M514 D520 I521W356-A518 HydrophobicContact CH2-CB 4.1Å; P385-A518 HydrophobicContact CB-CB 3.84Å; P385-A518 HydrophobicContact CG-CB 4Å; F513-A518 HydrophobicContact CE1-CB 4.16Å; F513-A518 HydrophobicContact CZ-CB 4.14Å; F513-A518 PolarHBondContact O-N 3.31Å; M514-A518 CarbonylContact O-C 3.21Å; M514-A518 HydrophobicContact SD-CB 4.07Å; A518-D520 PolarHBondContact O-N 2.95Å; A518-D520 VanDerWaalsContact O-N 3.11Å; A518-I521 HydrophobicContact CB-CD1 3.71Å; A518-I521 HydrophobicContact CB-CG1 4.11Å; A518-I521 WeakPolarHBondContact O-CB 3.43Å; A518-I521 PolarHBondContact O-N 2.77Å; A518-I521 VanDerWaalsContact O-N 3.11Å
519Y98.3Very high97.1Very high45 Ų4546.5 Ų46.518%0.17624%0.241CC..THydrogen-bonded Turntrans-60.4-21.8-172.953.2-99.3000115.2T368 Q370 M514T368-Y519 HydrophobicContact CG2-CE2 3.94Å; T368-Y519 PolarHBondContact OG1-OH 2.87Å; Q370-Y519 HydrophobicContact CB-CE2 4.46Å; Q370-Y519 WeakPolarHBondContact CB-OH 3.45Å; Q370-Y519 HydrophobicContact CG-CE2 4.05Å; M514-Y519 WeakPolarHBondContact O-CA 3.24Å; M514-Y519 PolarHBondContact O-N 2.81Å
520D97.7Very high96.9Very high11 Ų1150.3 Ų50.36%0.05925%0.251CS..THydrogen-bonded Turntrans-89.3-14.3-178.657.7-33.6000113.3R353 V365 T368 A518 T522 S523 H524R353-D520 IonicContact CZ-OD1 3.71Å; R353-D520 IonicContact CZ-OD2 3.05Å; R353-D520 IonicContact NH1-OD1 2.67Å; R353-D520 PolarHBondContact NH1-OD1 3.33Å; R353-D520 IonicContact NH1-OD2 3.92Å; R353-D520 PolarHBondContact NH1-OD2 2.91Å; V365-D520 WeakPolarHBondContact CG2-OD2 3.21Å; T368-D520 HydrophobicContact CG2-CB 3.79Å; T368-D520 WeakPolarHBondContact CG2-OD2 3.43Å; A518-D520 PolarHBondContact O-N 2.95Å; A518-D520 VanDerWaalsContact O-N 3.11Å; D520-T522 PolarHBondContact O-N 3.12Å; D520-S523 WeakPolarHBondContact O-CB 3.26Å; D520-S523 PolarHBondContact O-N 3.25Å; D520-S523 VanDerWaalsContact O-N 3.12Å; D520-H524 PolarHBondContact O-CD2 2.85Å; D520-H524 PolarHBondContact O-N 2.7Å
521I97.6Very high96.8Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-59.5-48.4-177.1-67.5-172.5000111A355 W356 W358 P385 M514 A518 S523 H524 Y525A355-I521 HydrophobicContact CB-CD1 4.3Å; A355-I521 HydrophobicContact CB-CG1 4.21Å; W356-I521 HydrophobicContact CD2-CD1 3.91Å; W356-I521 HydrophobicContact CE3-CD1 3.76Å; W356-I521 HydrophobicContact CH2-CD1 3.15Å; W356-I521 HydrophobicContact CZ2-CD1 3.41Å; W356-I521 VanDerWaalsContact CZ2-CD1 3.41Å; W356-I521 HydrophobicContact CZ3-CD1 3.4Å; W358-I521 HydrophobicContact CZ2-CG2 4.42Å; P385-I521 HydrophobicContact CB-CD1 4.28Å; M514-I521 HydrophobicContact CE-CB 4.11Å; M514-I521 HydrophobicContact CE-CG2 4.36Å; A518-I521 HydrophobicContact CB-CD1 3.71Å; A518-I521 HydrophobicContact CB-CG1 4.11Å; A518-I521 WeakPolarHBondContact O-CB 3.43Å; A518-I521 PolarHBondContact O-N 2.77Å; A518-I521 VanDerWaalsContact O-N 3.11Å; I521-S523 PolarHBondContact O-N 3.32Å; I521-H524 PolarHBondContact O-N 3.47Å; I521-Y525 PolarHBondContact O-N 3.36Å
522T96.3Very high96.7Very high56 Ų5651.5 Ų51.534%0.34427%0.265SS..Hα-helixtrans-66.5-18.8-178.851.80000113.5W358 M514 D520 Y525 P526 L527W358-T522 HydrophobicContact CZ2-CG2 3.79Å; M514-T522 HydrophobicContact CE-CG2 4.04Å; D520-T522 PolarHBondContact O-N 3.12Å; T522-Y525 WeakPolarHBondContact CA-O 3.16Å; T522-P526 VanDerWaalsContact O-CA 3.3Å; T522-P526 WeakPolarHBondContact O-CA 3.44Å; T522-L527 HydrophobicContact CG2-CD2 4.12Å; T522-L527 HydrophobicContact CG2-CG 4.05Å
523S94.8Very high96.6Very high95 Ų9548.9 Ų48.966%0.66426%0.256SS*.Hα-helixtrans-74.4-31.8174.2-172.10000112.1D520 I521D520-S523 WeakPolarHBondContact O-CB 3.26Å; D520-S523 PolarHBondContact O-N 3.25Å; D520-S523 VanDerWaalsContact O-N 3.12Å; I521-S523 PolarHBondContact O-N 3.32Å
524H92.8Very high96.6Very high90 Ų9050 Ų5042%0.41726%0.26SS..Hα-helixtrans-96.7-38.1-179.6-70.8-76.5000112.4V365 D520 I521V365-H524 HydrophobicContact CG1-CB 3.82Å; D520-H524 PolarHBondContact O-CD2 2.85Å; D520-H524 PolarHBondContact O-N 2.7Å; I521-H524 PolarHBondContact O-N 3.47Å
525Y94.6Very high96.5Very high63 Ų6349.6 Ų49.625%0.24726%0.258CS..SBendtrans-125.785179-57.2-69.1000108.1D357 W358 K363 V365 I521 T522D357-Y525 HydrophobicContact CB-CD1 4.01Å; D357-Y525 HydrophobicContact CB-CG 4.16Å; W358-Y525 PolarHBondContact NE1-O 2.99Å; K363-Y525 HydrophobicContact CB-CD2 4.39Å; K363-Y525 HydrophobicContact CB-CE2 3.49Å; K363-Y525 VanDerWaalsContact CB-CE2 3.49Å; K363-Y525 HydrophobicContact CD-CE1 4.01Å; K363-Y525 HydrophobicContact CD-CE2 4.4Å; K363-Y525 WeakPolarHBondContact CD-OH 3.47Å; K363-Y525 HydrophobicContact CG-CD2 4.36Å; K363-Y525 HydrophobicContact CG-CE1 3.95Å; K363-Y525 HydrophobicContact CG-CE2 3.66Å; K363-Y525 VanDerWaalsContact CG-CZ 3.44Å; V365-Y525 HydrophobicContact CG1-CE2 3.95Å; I521-Y525 PolarHBondContact O-N 3.36Å; T522-Y525 WeakPolarHBondContact CA-O 3.16Å
526P94.3Very high96.4Very high55 Ų5543.9 Ų43.936%0.35723%0.231SC..PPolyproline II helixtrans-63.6157.3-176-24.235.6000113.5W358 T522 L602W358-P526 PolarHBondContact NE1-O 3.19Å; T522-P526 VanDerWaalsContact O-CA 3.3Å; T522-P526 WeakPolarHBondContact O-CA 3.44Å; P526-L602 HydrophobicContact CB-CD1 3.08Å; P526-L602 HydrophobicContact CB-CG 3.72Å; P526-L602 HydrophobicContact CG-CD1 3.69Å; P526-L602 HydrophobicContact CG-CG 4.15Å
527L95.3Very high96.4Very high60 Ų6039.5 Ų39.531%0.31421%0.211SC..PPolyproline II helixtrans-61.3126.3178.6-62.7170.9000110.4W358 Y476 Y479 T522W358-L527 HydrophobicContact CD2-CD2 4.12Å; W358-L527 HydrophobicContact CE3-CD2 4.4Å; W358-L527 HydrophobicContact CH2-CD2 3.58Å; W358-L527 HydrophobicContact CZ2-CD2 3.24Å; W358-L527 HydrophobicContact CZ2-CG 4.33Å; W358-L527 HydrophobicContact CZ3-CD2 4.15Å; Y476-L527 HydrophobicContact CD1-CD2 4.39Å; Y476-L527 HydrophobicContact CE1-CD2 4.33Å; Y479-L527 HydrophobicContact CD1-CB 4.11Å; Y479-L527 HydrophobicContact CD1-CD2 4.13Å; Y479-L527 HydrophobicContact CD2-CD2 3.7Å; Y479-L527 HydrophobicContact CE1-CB 3.88Å; Y479-L527 HydrophobicContact CE1-CD1 4.32Å; Y479-L527 HydrophobicContact CE1-CD2 4.1Å; Y479-L527 HydrophobicContact CE1-CG 4.33Å; Y479-L527 HydrophobicContact CE2-CD1 4.33Å; Y479-L527 HydrophobicContact CE2-CD2 3.67Å; Y479-L527 HydrophobicContact CG-CD2 3.94Å; T522-L527 HydrophobicContact CG2-CD2 4.12Å; T522-L527 HydrophobicContact CG2-CG 4.05Å
528P94.8Very high96.4Very high24 Ų2440.7 Ų40.716%0.15622%0.215CC..PPolyproline II helixtrans-69141.5-179.928.1-35.2000110.6W358 Y479 A482W358-P528 HydrophobicContact CB-CG 3.93Å; W358-P528 VanDerWaalsContact CD1-CD 3.43Å; W358-P528 VanDerWaalsContact CG-CD 3.49Å; W358-P528 HydrophobicContact CG-CG 4.18Å; Y479-P528 HydrophobicContact CD1-CG 4.09Å; Y479-P528 HydrophobicContact CG-CG 4.41Å; Y479-P528 WeakPolarHBondContact O-CG 3.41Å; A482-P528 HydrophobicContact CB-CG 4.4Å
529P95.4Very high96.3Very high32 Ų3240.7 Ų40.721%0.20822%0.215CC..PPolyproline II helixtrans-62.3157168-17.330.5000110.9N574 A576 L602P529-N574 HydrophobicContact CB-CB 4.22Å; P529-A576 HydrophobicContact CB-CB 4.13Å; P529-A576 HydrophobicContact CG-CB 3.7Å; P529-L602 HydrophobicContact CG-CD2 4.13Å
530K96.1Very high96.3Very high133 Ų13340.7 Ų40.758%0.57822%0.216SC*.PPolyproline II helixtrans-64.7154.7174.3-66.2-178.6178.3-176.10111N574 E575K530-N574 CarbonylContact O-C 3.42Å; K530-N574 WeakPolarHBondContact O-CA 3.25Å; K530-N574 WeakPolarHBondContact O-CB 3.07Å; K530-E575 HydrophobicContact CB-CG 4.28Å; K530-E575 PolarHBondContact O-N 3.44Å
531N96.5Very high96.1Very high35 Ų3548 Ų4819%0.18725%0.25CC..EExtended strand (participates in β ladder)trans-82.1138.4174.6-69.1-31.8000110.9A482A482-N531 WeakPolarHBondContact CA-ND2 3.13Å; A482-N531 PolarHBondContact O-ND2 3.28Å; A482-N531 PolarHBondContact O-OD1 3.17Å
532V96.9Very high96.1Very high86 Ų8649.4 Ų49.452%0.52126%0.259SS..EExtended strand (participates in β ladder)trans-80.1-48.2166.3174.10000109.7I573 E575V532-I573 HydrophobicContact CB-CG2 4.23Å; V532-I573 PolarHBondContact N-O 2.86Å; V532-E575 HydrophobicContact CG2-CG 3.98Å
533D96.9Very high96.1Very high17 Ų1749.9 Ų49.99%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-155.6166173.9-147.1-24000109.5I573 Y610 K612 M651 N653D533-I573 HydrophobicContact CB-CG2 4.1Å; D533-I573 PolarHBondContact N-O 3Å; D533-I573 WeakPolarHBondContact O-CG2 3.4Å; D533-I573 PolarHBondContact O-N 3.27Å; D533-Y610 HydrophobicContact CB-CD1 4.22Å; D533-Y610 HydrophobicContact CB-CE1 4.33Å; D533-K612 IonicContact OD2-NZ 2.85Å; D533-K612 PolarHBondContact OD2-NZ 3.42Å; D533-M651 HydrophobicContact CB-SD 3.89Å; D533-N653 PolarHBondContact OD1-ND2 3.35Å
534W97.1Very high96.2Very high23 Ų2348.5 Ų48.59%0.08725%0.249CC..EExtended strand (participates in β ladder)trans-154.6159.9-178.669.1-86.1000112.1P485 E486 L570 F571 R572 N653 I654P485-W534 HydrophobicContact CB-CB 4.08Å; P485-W534 HydrophobicContact CB-CD2 3.47Å; P485-W534 VanDerWaalsContact CB-CD2 3.47Å; P485-W534 HydrophobicContact CB-CE3 4.03Å; P485-W534 HydrophobicContact CB-CG 3.46Å; P485-W534 VanDerWaalsContact CB-CG 3.46Å; P485-W534 HydrophobicContact CB-CZ2 4.38Å; P485-W534 HydrophobicContact CG-CB 3.63Å; P485-W534 HydrophobicContact CG-CD2 3.65Å; P485-W534 HydrophobicContact CG-CE3 3.86Å; P485-W534 HydrophobicContact CG-CG 3.54Å; P485-W534 WeakPolarHBondContact O-CZ2 3.48Å; E486-W534 HydrophobicContact CB-CZ3 4.08Å; W534-L570 HydrophobicContact CE3-CD1 3.97Å; W534-L570 HydrophobicContact CZ3-CD1 4.04Å; W534-F571 CarbonylContact C-O 3.58Å; W534-F571 WeakPolarHBondContact CA-O 3.11Å; W534-R572 HydrophobicContact CB-CB 3.98Å; W534-N653 HydrophobicContact CD2-CB 4.43Å; W534-N653 HydrophobicContact CH2-CB 3.91Å; W534-N653 HydrophobicContact CZ2-CB 3.71Å; W534-N653 HydrophobicContact CZ3-CB 4.35Å; W534-N653 PolarHBondContact NE1-ND2 3.09Å; W534-N653 PolarHBondContact O-ND2 3.26Å; W534-I654 VanDerWaalsContact CH2-O 3.31Å; W534-I654 WeakPolarHBondContact CH2-O 3.2Å; W534-I654 WeakPolarHBondContact CZ3-O 3.44Å
535G96.5Very high96.4Very high0 Ų044.2 Ų44.20%023%0.229CC..EExtended strand (participates in β ladder)trans133.4-159.6178.200000113.9F571 N652G535-F571 PolarHBondContact N-O 2.61Å; G535-F571 PolarHBondContact O-N 3.02Å; G535-N652 CarbonylContact C-O 3.59Å; G535-N652 WeakPolarHBondContact CA-O 3.4Å
536E96.9Very high96.6Very high2 Ų241.3 Ų41.31%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-70.6140.8167.548.1176.6-145.100110.5R538 R564 Q569 M651 N652 I654E536-R538 IonicContact OE1-CZ 3.14Å; E536-R538 IonicContact OE1-NE 2.73Å; E536-R538 PolarHBondContact OE1-NE 3.24Å; E536-R538 IonicContact OE1-NH2 2.71Å; E536-R538 PolarHBondContact OE1-NH2 3.45Å; E536-R538 IonicContact OE2-NH2 3.24Å; E536-R538 PolarHBondContact OE2-NH2 3.27Å; E536-R564 IonicContact OE1-NE 4Å; E536-R564 WeakPolarHBondContact OE2-CG 3.39Å; E536-Q569 VanDerWaalsContact CA-O 3.28Å; E536-Q569 WeakPolarHBondContact CA-O 3.41Å; E536-M651 WeakPolarHBondContact O-CA 2.9Å; E536-N652 HydrophobicContact CG-CB 4.01Å; E536-N652 PolarHBondContact N-O 2.92Å; E536-N652 PolarHBondContact O-N 3.37Å; E536-N652 VanDerWaalsContact O-N 3.09Å; E536-I654 HydrophobicContact CB-CD1 3.93Å; E536-I654 HydrophobicContact CB-CG1 4.38Å; E536-I654 HydrophobicContact CG-CD1 4.17Å; E536-I654 HydrophobicContact CG-CG1 4.12Å
537I98.3Very high96.8Very high0 Ų039.3 Ų39.30%020%0.204CC..EExtended strand (participates in β ladder)trans-95.993.3168.1-54.3172.3000107.1C545 I546 F571 L579 F617 W649 M651I537-C545 WeakPolarHBondContact O-CA 3.31Å; I537-I546 HydrophobicContact CB-CB 4.29Å; I537-I546 HydrophobicContact CB-CD1 4.04Å; I537-I546 HydrophobicContact CB-CG1 4.19Å; I537-I546 HydrophobicContact CD1-CD1 4.32Å; I537-I546 HydrophobicContact CG2-CD1 3.65Å; I537-I546 HydrophobicContact CG2-CG1 4.13Å; I537-I546 PolarHBondContact O-N 2.76Å; I537-F571 HydrophobicContact CD1-CB 3.72Å; I537-F571 HydrophobicContact CD1-CD2 3.91Å; I537-F571 HydrophobicContact CD1-CG 3.78Å; I537-F571 HydrophobicContact CG1-CB 4.09Å; I537-F571 HydrophobicContact CG1-CD2 4.07Å; I537-F571 HydrophobicContact CG1-CG 4.3Å; I537-L579 HydrophobicContact CD1-CD1 3.95Å; I537-L579 HydrophobicContact CD1-CD2 4.08Å; I537-L579 HydrophobicContact CD1-CG 4.4Å; I537-F617 HydrophobicContact CD1-CZ 4.39Å; I537-F617 HydrophobicContact CG1-CZ 4.39Å; I537-F617 HydrophobicContact CG2-CD2 4.41Å; I537-F617 HydrophobicContact CG2-CE2 3.85Å; I537-F617 HydrophobicContact CG2-CZ 4.35Å; I537-W649 HydrophobicContact CG2-CB 4.3Å; I537-W649 HydrophobicContact CG2-CD2 4.23Å; I537-W649 HydrophobicContact CG2-CE3 3.79Å; I537-W649 HydrophobicContact CG2-CG 4.47Å; I537-W649 HydrophobicContact CG2-CZ3 4.44Å; I537-M651 HydrophobicContact CG1-CE 4.13Å
538R98.2Very high96.8Very high28 Ų2836.5 Ų36.511%0.10619%0.189CC..EExtended strand (participates in β ladder)trans-94.5139.3-175.5176.9-175.7-69-91.7-5.3110.4E536 F540 T542 C562 W649 E650E536-R538 IonicContact OE1-CZ 3.14Å; E536-R538 IonicContact OE1-NE 2.73Å; E536-R538 PolarHBondContact OE1-NE 3.24Å; E536-R538 IonicContact OE1-NH2 2.71Å; E536-R538 PolarHBondContact OE1-NH2 3.45Å; E536-R538 IonicContact OE2-NH2 3.24Å; E536-R538 PolarHBondContact OE2-NH2 3.27Å; R538-F540 PolarHBondContact O-N 2.8Å; R538-T542 WeakPolarHBondContact CD-O 2.96Å; R538-T542 PolarHBondContact NH1-O 2.78Å; R538-C562 VanDerWaalsContact CZ-SG 3.5Å; R538-W649 CarbonylContact O-C 3.55Å; R538-W649 VanDerWaalsContact O-CA 3.3Å; R538-W649 WeakPolarHBondContact O-CA 3.49Å; R538-E650 PolarHBondContact N-O 3.18Å; R538-E650 PolarHBondContact O-N 3.11Å
539G98.1Very high96.8Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-62.512816800000110.5E541 T542 Y544 R628G539-E541 PolarHBondContact O-N 3.47Å; G539-T542 PolarHBondContact O-N 2.87Å; G539-T542 PolarHBondContact O-OG1 2.86Å; G539-T542 VanDerWaalsContact O-OG1 3.11Å; G539-Y544 PolarHBondContact N-O 2.88Å; G539-R628 VanDerWaalsContact CA-CZ 3.49Å
540F96.9Very high96.7Very high45 Ų4539.8 Ų39.820%0.19721%0.212CC..THydrogen-bonded Turntrans-53.6126.8-175.8-178.1-100.1000111.3R538 T542 H615 K648 E650R538-F540 PolarHBondContact O-N 2.8Å; F540-T542 WeakPolarHBondContact O-CG2 3.28Å; F540-T542 PolarHBondContact O-N 3.39Å; F540-H615 HydrophobicContact CD2-CB 4.24Å; F540-H615 AromaticContact CD2-CD2 3.76Å; F540-H615 AromaticContact CD2-CE1 3.79Å; F540-H615 AromaticContact CD2-CG 3.6Å; F540-H615 AromaticContact CD2-ND1 3.62Å; F540-H615 AromaticContact CD2-NE2 3.89Å; F540-H615 AromaticContact CE2-CD2 3.57Å; F540-H615 AromaticContact CE2-CE1 3.56Å; F540-H615 AromaticContact CE2-CG 3.89Å; F540-H615 AromaticContact CE2-ND1 3.88Å; F540-H615 AromaticContact CE2-NE2 3.36Å; F540-H615 WeakPolarHBondContact CE2-NE2 2.83Å; F540-K648 HydrophobicContact CB-CB 3.47Å; F540-K648 VanDerWaalsContact CB-CB 3.47Å; F540-K648 WeakPolarHBondContact CB-O 3.44Å; F540-K648 HydrophobicContact CD1-CB 4.3Å; F540-K648 HydrophobicContact CD1-CD 4.18Å; F540-K648 HydrophobicContact CG-CB 4.01Å; F540-K648 PolarHBondContact N-O 2.79Å; F540-E650 WeakPolarHBondContact CA-OE1 3.46Å; F540-E650 HydrophobicContact CB-CG 4.42Å; F540-E650 HydrophobicContact CD2-CG 3.63Å; F540-E650 WeakPolarHBondContact CD2-OE1 3.21Å; F540-E650 HydrophobicContact CE2-CG 4.41Å; F540-E650 HydrophobicContact CG-CG 4.5Å
541E94.8Very high96.6Very high163 Ų16336.3 Ų36.376%0.76220%0.197SC*.THydrogen-bonded Turntrans56.727.5-174.8-63.5176.2-17300115.1G539 E650G539-E541 PolarHBondContact O-N 3.47Å; E541-E650 PolarHBondContact N-OE1 2.77Å
542T96.2Very high96.5Very high31 Ų3138.2 Ų38.219%0.1921%0.21CC..SBendtrans-126.4172.5176.987.40000114R538 G539 F540 Y544 E630R538-T542 WeakPolarHBondContact CD-O 2.96Å; R538-T542 PolarHBondContact NH1-O 2.78Å; G539-T542 PolarHBondContact O-N 2.87Å; G539-T542 PolarHBondContact O-OG1 2.86Å; G539-T542 VanDerWaalsContact O-OG1 3.11Å; F540-T542 WeakPolarHBondContact O-CG2 3.28Å; F540-T542 PolarHBondContact O-N 3.39Å; T542-Y544 PolarHBondContact OG1-N 2.74Å; T542-E630 WeakPolarHBondContact CG2-OE1 3.2Å
543A96Very high96.3Very high65 Ų6539.3 Ų39.354%0.53721%0.213SC..SBendtrans-101.618174.900000113.2C562A543-C562 PolarHBondContact O-N 2.76Å; A543-C562 PolarHBondContact O-SG 3.28Å; A543-C562 VanDerWaalsContact O-SG 3.4Å
544Y97.6Very high96.1Very high67 Ų6740 Ų4026%0.26323%0.225SC..EExtended strand (participates in β ladder)trans-110.7133.3-179.9-75.4-73.4000111.8G539 T542 L559 G560 P561 E630 H633G539-Y544 PolarHBondContact N-O 2.88Å; T542-Y544 PolarHBondContact OG1-N 2.74Å; Y544-L559 HydrophobicContact CD1-CD2 4.1Å; Y544-L559 HydrophobicContact CD1-CG 4.15Å; Y544-L559 HydrophobicContact CG-CD2 3.94Å; Y544-L559 HydrophobicContact CG-CG 4.24Å; Y544-G560 CarbonylContact C-O 3.56Å; Y544-G560 WeakPolarHBondContact CA-O 3.12Å; Y544-P561 HydrophobicContact CE1-CG 4.33Å; Y544-E630 HydrophobicContact CD2-CB 4.35Å; Y544-E630 HydrophobicContact CD2-CG 4.2Å; Y544-E630 HydrophobicContact CE2-CB 4.33Å; Y544-H633 AromaticContact CE1-CE1 3.46Å; Y544-H633 VanDerWaalsContact CE1-CE1 3.46Å; Y544-H633 WeakPolarHBondContact CE1-CE1 3.47Å; Y544-H633 AromaticContact CE1-ND1 3.65Å; Y544-H633 AromaticContact CZ-CE1 3.81Å
545C98.1Very high96Very high0 Ų039.8 Ų39.80%023%0.23CC..EExtended strand (participates in β ladder)trans-123.9150-177.5-74.40000110I537 D547 L559 G560 C562I537-C545 WeakPolarHBondContact O-CA 3.31Å; C545-D547 PolarHBondContact O-N 3.48Å; C545-L559 WeakPolarHBondContact O-CA 3.48Å; C545-G560 PolarHBondContact N-O 3.18Å; C545-G560 PolarHBondContact O-N 2.83Å; C545-C562 HydrophobicContact CB-CB 3.99Å; C545-C562 WeakPolarHBondContact CB-SG 3.46Å; C545-C562 PolarHBondContact N-SG 2.75Å; C545-C562 WeakPolarHBondContact SG-CB 3.25Å; C545-C562 CovalentContact SG-SG 2.03Å; C545-C562 PolarHBondContact SG-SG 3.43Å
546I98.3Very high96Very high1 Ų143.1 Ų43.11%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-64.8135166.4-57.7-177.1000107.9I537 V557 E558 F571 L626 V635 W649I537-I546 HydrophobicContact CB-CB 4.29Å; I537-I546 HydrophobicContact CB-CD1 4.04Å; I537-I546 HydrophobicContact CB-CG1 4.19Å; I537-I546 HydrophobicContact CD1-CD1 4.32Å; I537-I546 HydrophobicContact CG2-CD1 3.65Å; I537-I546 HydrophobicContact CG2-CG1 4.13Å; I537-I546 PolarHBondContact O-N 2.76Å; I546-V557 HydrophobicContact CG2-CB 4.14Å; I546-V557 HydrophobicContact CG2-CG2 4.1Å; I546-E558 WeakPolarHBondContact CA-O 3.24Å; I546-F571 HydrophobicContact CB-CE2 4.17Å; I546-F571 HydrophobicContact CG2-CE2 3.99Å; I546-F571 HydrophobicContact CG2-CZ 3.87Å; I546-F571 WeakPolarHBondContact O-CE2 3.17Å; I546-L626 HydrophobicContact CD1-CD2 3.69Å; I546-V635 HydrophobicContact CD1-CG1 4.01Å; I546-V635 HydrophobicContact CG1-CG1 4.41Å; I546-V635 HydrophobicContact CG1-CG2 4.06Å; I546-V635 HydrophobicContact CG2-CG2 4.5Å; I546-W649 HydrophobicContact CD1-CE3 4.49Å; I546-W649 HydrophobicContact CD1-CH2 4.1Å; I546-W649 HydrophobicContact CD1-CZ3 4.07Å; I546-W649 HydrophobicContact CG1-CE3 4.48Å; I546-W649 HydrophobicContact CG1-CH2 3.94Å; I546-W649 HydrophobicContact CG1-CZ3 3.74Å
547D97.4Very high96Very high14 Ų1443.2 Ų43.28%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-135.6132.3-179.1-164.7-45.8000108.8C545 M549 E558 N568 Q569C545-D547 PolarHBondContact O-N 3.48Å; D547-M549 HydrophobicContact CB-CE 4.01Å; D547-M549 HydrophobicContact CB-SD 4.13Å; D547-M549 PolarHBondContact O-N 2.94Å; D547-M549 WeakPolarHBondContact OD1-CA 3.46Å; D547-M549 PolarHBondContact OD1-N 3.32Å; D547-E558 PolarHBondContact N-O 3.1Å; D547-E558 PolarHBondContact O-N 3.3Å; D547-N568 VanDerWaalsContact OD1-CB 3.26Å; D547-N568 WeakPolarHBondContact OD1-CB 3.41Å; D547-Q569 HydrophobicContact CB-CG 3.86Å; D547-Q569 WeakPolarHBondContact OD2-CG 3.29Å; D547-Q569 PolarHBondContact OD2-NE2 3.42Å
548S96.8Very high95.9Very high0 Ų046.7 Ų46.70%026%0.261CS..  trans-72.3-15.1176.3680000113.1G550 K551 N568 Q581S548-G550 PolarHBondContact O-N 3.19Å; S548-G550 VanDerWaalsContact O-N 3.13Å; S548-G550 PolarHBondContact OG-N 2.65Å; S548-K551 WeakPolarHBondContact O-CB 3.28Å; S548-K551 VanDerWaalsContact O-CG 3.3Å; S548-K551 WeakPolarHBondContact O-CG 3.42Å; S548-K551 PolarHBondContact O-N 2.74Å; S548-N568 PolarHBondContact N-O 3.31Å; S548-N568 WeakPolarHBondContact OG-CB 3.47Å; S548-N568 PolarHBondContact OG-O 2.9Å; S548-Q581 PolarHBondContact OG-OE1 3.32Å
549M94.8Very high95.9Very high82 Ų8245.5 Ų45.540%0.40426%0.257SS..THydrogen-bonded Turntrans55.523-171.8-54-63.9-17600112.3D547 K551 E558D547-M549 HydrophobicContact CB-CE 4.01Å; D547-M549 HydrophobicContact CB-SD 4.13Å; D547-M549 PolarHBondContact O-N 2.94Å; D547-M549 WeakPolarHBondContact OD1-CA 3.46Å; D547-M549 PolarHBondContact OD1-N 3.32Å; M549-K551 HydrophobicContact CB-CD 4.45Å; M549-K551 HydrophobicContact CB-CG 4.31Å; M549-K551 PolarHBondContact O-N 2.93Å; M549-E558 HydrophobicContact CE-CB 3.67Å; M549-E558 HydrophobicContact CG-CB 4.04Å; M549-E558 HydrophobicContact CG-CG 4.48Å
550G92.8Very high95.8Very high43 Ų4345.7 Ų45.744%0.44326%0.259SS..THydrogen-bonded Turntrans69.911.3-172.400000113.8S548 N568S548-G550 PolarHBondContact O-N 3.19Å; S548-G550 VanDerWaalsContact O-N 3.13Å; S548-G550 PolarHBondContact OG-N 2.65Å; G550-N568 PolarHBondContact N-ND2 2.84Å; G550-N568 VanDerWaalsContact N-ND2 3.12Å
551K94.5Very high95.8Very high61 Ų6147.9 Ų47.927%0.26528%0.277SS..  trans-72.1149.7177.4-63.2172.3-1771790110.7S548 M549 F556 E558 I597S548-K551 WeakPolarHBondContact O-CB 3.28Å; S548-K551 VanDerWaalsContact O-CG 3.3Å; S548-K551 WeakPolarHBondContact O-CG 3.42Å; S548-K551 PolarHBondContact O-N 2.74Å; M549-K551 HydrophobicContact CB-CD 4.45Å; M549-K551 HydrophobicContact CB-CG 4.31Å; M549-K551 PolarHBondContact O-N 2.93Å; K551-F556 WeakPolarHBondContact CD-O 3.34Å; K551-F556 WeakPolarHBondContact CE-O 3.28Å; K551-F556 PolarHBondContact NZ-O 2.89Å; K551-E558 IonicContact NZ-OE1 2.94Å; K551-E558 PolarHBondContact NZ-OE1 3.18Å; K551-I597 HydrophobicContact CB-CG2 4.3Å; K551-I597 WeakPolarHBondContact O-CG2 3.38Å
552T93.2Very high95.9Very high75 Ų7541.4 Ų41.446%0.4625%0.25SC..  trans-143.3161.5-179.965.10000109.9G554 G555 Q584T552-G554 PolarHBondContact O-N 2.68Å; T552-G555 PolarHBondContact O-N 2.99Å; T552-Q584 VanDerWaalsContact CG2-NE2 3.31Å
553N92.9Very high95.8Very high108 Ų10843.8 Ų43.858%0.57826%0.259SS*.SBendtrans50.357.2163.5-62.7-46.3000114.8I597N553-I597 PolarHBondContact N-O 3.39Å
554G93.1Very high95.6Very high33 Ų3348.6 Ų48.634%0.3426%0.263SS..SBendtrans107.3-2.5175.900000114.6T552 M596 I597T552-G554 PolarHBondContact O-N 2.68Å; G554-M596 WeakPolarHBondContact O-CG 3.18Å; G554-I597 PolarHBondContact N-O 3.48Å
555G94.4Very high95.1Very high18 Ų1852.8 Ų52.819%0.18629%0.287CS..EExtended strand (participates in β ladder)trans-71150.3173.900000112.8T552 M596 I597T552-G555 PolarHBondContact O-N 2.99Å; G555-M596 CarbonylContact O-C 3.18Å; G555-M596 WeakPolarHBondContact O-CA 3.48Å; G555-M596 WeakPolarHBondContact O-CG 3.43Å; G555-I597 WeakPolarHBondContact O-CG2 3.49Å; G555-I597 PolarHBondContact O-N 3.22Å
556F96.3Very high94.7Very high69 Ų6953.1 Ų53.130%0.30329%0.29SS..EExtended strand (participates in β ladder)trans-89130.4175.8-62.2-66.6000111.7K551 K594 V595 M596K551-F556 WeakPolarHBondContact CD-O 3.34Å; K551-F556 WeakPolarHBondContact CE-O 3.28Å; K551-F556 PolarHBondContact NZ-O 2.89Å; F556-K594 HydrophobicContact CD1-CB 3.61Å; F556-K594 HydrophobicContact CD1-CD 4.06Å; F556-K594 HydrophobicContact CD2-CD 4.31Å; F556-K594 HydrophobicContact CE1-CB 3.78Å; F556-K594 HydrophobicContact CE1-CD 4.24Å; F556-K594 HydrophobicContact CE2-CD 4.49Å; F556-K594 HydrophobicContact CG-CB 4.38Å; F556-K594 HydrophobicContact CG-CD 4.09Å; F556-K594 HydrophobicContact CZ-CD 4.45Å; F556-V595 WeakPolarHBondContact CA-O 3.13Å; F556-M596 HydrophobicContact CD1-CB 4.07Å; F556-M596 HydrophobicContact CE1-CB 4.18Å
557V96.8Very high94.3Very high4 Ų454.5 Ų54.52%0.02430%0.304CS..PPolyproline II helixtrans-70.6149.9173.6-59.20000110.3I546 L586 V595 I597 V635I546-V557 HydrophobicContact CG2-CB 4.14Å; I546-V557 HydrophobicContact CG2-CG2 4.1Å; V557-L586 HydrophobicContact CG1-CD1 4.24Å; V557-L586 HydrophobicContact CG1-CD2 4.2Å; V557-L586 HydrophobicContact CG1-CG 4.08Å; V557-L586 HydrophobicContact CG2-CD2 4.22Å; V557-V595 HydrophobicContact CG2-CB 3.68Å; V557-V595 HydrophobicContact CG2-CG1 3.71Å; V557-V595 PolarHBondContact N-O 2.75Å; V557-I597 HydrophobicContact CG1-CB 4.05Å; V557-I597 HydrophobicContact CG1-CG2 4.26Å; V557-V635 HydrophobicContact CG2-CB 4.35Å; V557-V635 HydrophobicContact CG2-CG1 4.29Å
558E96.8Very high94.2Very high74 Ų7456.6 Ų56.635%0.34632%0.316SS..EExtended strand (participates in β ladder)trans-126.9176-174.9-70.2-176-152.600110.9I546 D547 M549 K551I546-E558 WeakPolarHBondContact CA-O 3.24Å; D547-E558 PolarHBondContact N-O 3.1Å; D547-E558 PolarHBondContact O-N 3.3Å; M549-E558 HydrophobicContact CE-CB 3.67Å; M549-E558 HydrophobicContact CG-CB 4.04Å; M549-E558 HydrophobicContact CG-CG 4.48Å; K551-E558 IonicContact NZ-OE1 2.94Å; K551-E558 PolarHBondContact NZ-OE1 3.18Å
559L97.7Very high94.2Very high2 Ų256.7 Ų56.71%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-104.6124.6175.3-167.277.6000109Y544 C545 R628 E630 H633 V635 W649Y544-L559 HydrophobicContact CD1-CD2 4.1Å; Y544-L559 HydrophobicContact CD1-CG 4.15Å; Y544-L559 HydrophobicContact CG-CD2 3.94Å; Y544-L559 HydrophobicContact CG-CG 4.24Å; C545-L559 WeakPolarHBondContact O-CA 3.48Å; L559-R628 HydrophobicContact CD1-CB 4.49Å; L559-R628 HydrophobicContact CD2-CB 4.26Å; L559-E630 HydrophobicContact CD2-CG 4.23Å; L559-H633 HydrophobicContact CB-CB 4.48Å; L559-H633 PolarHBondContact N-O 2.87Å; L559-H633 WeakPolarHBondContact O-CB 3.49Å; L559-V635 HydrophobicContact CB-CG2 4.03Å; L559-V635 HydrophobicContact CD1-CG2 4.28Å; L559-W649 HydrophobicContact CD1-CH2 4.01Å; L559-W649 HydrophobicContact CD1-CZ3 4.13Å
560G96.1Very high94.2Very high4 Ų453.6 Ų53.64%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-125162.5177.300000112.1Y544 C545 C562Y544-G560 CarbonylContact C-O 3.56Å; Y544-G560 WeakPolarHBondContact CA-O 3.12Å; C545-G560 PolarHBondContact N-O 3.18Å; C545-G560 PolarHBondContact O-N 2.83Å; G560-C562 PolarHBondContact O-N 3.29Å
561P97.1Very high94.4Very high91 Ų9151.7 Ų51.759%0.59128%0.281SS*.EExtended strand (participates in β ladder)trans-55.8131.7166.3-23.734.6000110.6Y544 H563 Q569Y544-P561 HydrophobicContact CE1-CG 4.33Å; P561-H563 PolarHBondContact O-N 3.15Å; P561-Q569 PolarHBondContact O-NE2 2.84Å
562C96.4Very high94.6Very high27 Ų2749.9 Ų49.918%0.18227%0.272CS..  trans-65.9130.1178.5-60.40000110.5R538 A543 C545 G560R538-C562 VanDerWaalsContact CZ-SG 3.5Å; A543-C562 PolarHBondContact O-N 2.76Å; A543-C562 PolarHBondContact O-SG 3.28Å; A543-C562 VanDerWaalsContact O-SG 3.4Å; C545-C562 HydrophobicContact CB-CB 3.99Å; C545-C562 WeakPolarHBondContact CB-SG 3.46Å; C545-C562 PolarHBondContact N-SG 2.75Å; C545-C562 WeakPolarHBondContact SG-CB 3.25Å; C545-C562 CovalentContact SG-SG 2.03Å; C545-C562 PolarHBondContact SG-SG 3.43Å; G560-C562 PolarHBondContact O-N 3.29Å
563H94.1Very high94.8Very high82 Ų8246.4 Ų46.438%0.3825%0.251SS..  trans-114.4-8.2177.25967.3000113.9P561 M565 G566 Q569P561-H563 PolarHBondContact O-N 3.15Å; H563-M565 HydrophobicContact CB-CG 4.35Å; H563-M565 WeakPolarHBondContact ND1-CB 3.13Å; H563-M565 PolarHBondContact ND1-N 3.2Å; H563-M565 WeakPolarHBondContact O-CG 3.45Å; H563-M565 PolarHBondContact O-N 3.24Å; H563-M565 VanDerWaalsContact O-N 3.13Å; H563-G566 PolarHBondContact CE1-O 3.19Å; H563-Q569 PolarHBondContact CD2-NE2 3.29Å; H563-Q569 PolarHBondContact CD2-OE1 3.28Å; H563-Q569 VanDerWaalsContact CD2-OE1 3.3Å; H563-Q569 VanDerWaalsContact NE2-CG 3.32Å; H563-Q569 WeakPolarHBondContact NE2-CG 3.37Å; H563-Q569 PolarHBondContact NE2-NE2 2.51Å; H563-Q569 PolarHBondContact NE2-OE1 3.15Å
564R92Very high94.9Very high166 Ų16641.3 Ų41.363%0.62622%0.224SC*.SBendtrans54.628.1179.6-65.3-175.6171.9-172.2-0.7114.9E536 I654E536-R564 IonicContact OE1-NE 4Å; E536-R564 WeakPolarHBondContact OE2-CG 3.39Å; R564-I654 VanDerWaalsContact O-CG2 3.31Å; R564-I654 WeakPolarHBondContact O-CG2 3.49Å
565M88.6Confident95.1Very high155 Ų15545.5 Ų45.576%0.76423%0.234SC*.  trans-102.45.7179.5-56.1-64.8-6900112.9H563H563-M565 HydrophobicContact CB-CG 4.35Å; H563-M565 WeakPolarHBondContact ND1-CB 3.13Å; H563-M565 PolarHBondContact ND1-N 3.2Å; H563-M565 WeakPolarHBondContact O-CG 3.45Å; H563-M565 PolarHBondContact O-N 3.24Å; H563-M565 VanDerWaalsContact O-N 3.13Å
566G89.7Confident95.2Very high6 Ų645.7 Ų45.76%0.06223%0.234CC..  trans68.2-131.5-173.100000111.7H563 N568 Q569H563-G566 PolarHBondContact CE1-O 3.19Å; G566-N568 PolarHBondContact O-N 2.62Å; G566-Q569 PolarHBondContact O-N 2.99Å; G566-Q569 VanDerWaalsContact O-N 3.11Å
567G89.9Confident95.2Very high30 Ų3045.1 Ų45.131%0.30923%0.234SC..G310 helixtrans58.4-120.9177.800000112.2Q569 L570 Q581G567-Q569 PolarHBondContact O-N 3.31Å; G567-L570 WeakPolarHBondContact O-CB 3.19Å; G567-L570 PolarHBondContact O-N 3.35Å; G567-L570 VanDerWaalsContact O-N 3.16Å; G567-Q581 PolarHBondContact O-NE2 2.94Å
568N94.5Very high95.3Very high59 Ų5945.1 Ų45.132%0.31623%0.234SC..G310 helixtrans-70.4-14.9-178-64.4-14.3000114D547 S548 G550 G566 Q581D547-N568 VanDerWaalsContact OD1-CB 3.26Å; D547-N568 WeakPolarHBondContact OD1-CB 3.41Å; S548-N568 PolarHBondContact N-O 3.31Å; S548-N568 WeakPolarHBondContact OG-CB 3.47Å; S548-N568 PolarHBondContact OG-O 2.9Å; G550-N568 PolarHBondContact N-ND2 2.84Å; G550-N568 VanDerWaalsContact N-ND2 3.12Å; G566-N568 PolarHBondContact O-N 2.62Å; N568-Q581 VanDerWaalsContact C-NE2 3.3Å; N568-Q581 PolarHBondContact O-NE2 2.91Å
569Q96Very high95.3Very high1 Ų141.7 Ų41.71%0.00522%0.218CC..G310 helixtrans-100.110.8174.1-65.3-172.4-2.100113E536 D547 P561 H563 G566 G567E536-Q569 VanDerWaalsContact CA-O 3.28Å; E536-Q569 WeakPolarHBondContact CA-O 3.41Å; D547-Q569 HydrophobicContact CB-CG 3.86Å; D547-Q569 WeakPolarHBondContact OD2-CG 3.29Å; D547-Q569 PolarHBondContact OD2-NE2 3.42Å; P561-Q569 PolarHBondContact O-NE2 2.84Å; H563-Q569 PolarHBondContact CD2-NE2 3.29Å; H563-Q569 PolarHBondContact CD2-OE1 3.28Å; H563-Q569 VanDerWaalsContact CD2-OE1 3.3Å; H563-Q569 VanDerWaalsContact NE2-CG 3.32Å; H563-Q569 WeakPolarHBondContact NE2-CG 3.37Å; H563-Q569 PolarHBondContact NE2-NE2 2.51Å; H563-Q569 PolarHBondContact NE2-OE1 3.15Å; G566-Q569 PolarHBondContact O-N 2.99Å; G566-Q569 VanDerWaalsContact O-N 3.11Å; G567-Q569 PolarHBondContact O-N 3.31Å
570L95.8Very high95.3Very high17 Ų1742.6 Ų42.69%0.08922%0.222CC..  trans-100.4128176.5-16875.2000110.7E486 W534 G567 Q581 I654E486-L570 HydrophobicContact CB-CD2 3.86Å; E486-L570 HydrophobicContact CG-CD2 3.97Å; E486-L570 WeakPolarHBondContact OE2-CD2 3.34Å; W534-L570 HydrophobicContact CE3-CD1 3.97Å; W534-L570 HydrophobicContact CZ3-CD1 4.04Å; G567-L570 WeakPolarHBondContact O-CB 3.19Å; G567-L570 PolarHBondContact O-N 3.35Å; G567-L570 VanDerWaalsContact O-N 3.16Å; L570-Q581 PolarHBondContact O-NE2 3.41Å; L570-I654 HydrophobicContact CD1-CB 4.29Å; L570-I654 HydrophobicContact CD1-CD1 4.08Å; L570-I654 HydrophobicContact CD1-CG1 4.41Å
571F97.6Very high95.3Very high4 Ų442.7 Ų42.72%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-133.3162.2176-61-88.1000110.9W534 G535 I537 I546 M580 Q581 L586 M651W534-F571 CarbonylContact C-O 3.58Å; W534-F571 WeakPolarHBondContact CA-O 3.11Å; G535-F571 PolarHBondContact N-O 2.61Å; G535-F571 PolarHBondContact O-N 3.02Å; I537-F571 HydrophobicContact CD1-CB 3.72Å; I537-F571 HydrophobicContact CD1-CD2 3.91Å; I537-F571 HydrophobicContact CD1-CG 3.78Å; I537-F571 HydrophobicContact CG1-CB 4.09Å; I537-F571 HydrophobicContact CG1-CD2 4.07Å; I537-F571 HydrophobicContact CG1-CG 4.3Å; I546-F571 HydrophobicContact CB-CE2 4.17Å; I546-F571 HydrophobicContact CG2-CE2 3.99Å; I546-F571 HydrophobicContact CG2-CZ 3.87Å; I546-F571 WeakPolarHBondContact O-CE2 3.17Å; F571-M580 CarbonylContact C-O 3.55Å; F571-M580 VanDerWaalsContact CA-O 3.3Å; F571-M580 WeakPolarHBondContact CA-O 3.16Å; F571-Q581 HydrophobicContact CD1-CB 3.85Å; F571-Q581 HydrophobicContact CE1-CB 3.9Å; F571-L586 HydrophobicContact CD1-CD1 4.04Å; F571-L586 HydrophobicContact CD1-CD2 4.18Å; F571-L586 HydrophobicContact CE1-CD1 3.71Å; F571-L586 HydrophobicContact CE1-CD2 3.91Å; F571-L586 HydrophobicContact CE1-CG 4.48Å; F571-M651 HydrophobicContact CB-CE 4.06Å; F571-M651 VanDerWaalsContact O-CE 3.22Å; F571-M651 WeakPolarHBondContact O-CE 3.49Å
572R97.4Very high95Very high22 Ų2243.4 Ų43.48%0.08321%0.213CC..EExtended strand (participates in β ladder)trans-135.9143.3170.765.3-176.8-171.1-89.2-12.9110.4A482 S483 W534 L579 M580 Y582A482-R572 VanDerWaalsContact O-CD 3.24Å; A482-R572 WeakPolarHBondContact O-CD 3.49Å; S483-R572 PolarHBondContact O-NH1 3.21Å; S483-R572 VanDerWaalsContact O-NH1 3.09Å; W534-R572 HydrophobicContact CB-CB 3.98Å; R572-L579 CarbonylContact O-C 3.58Å; R572-M580 HydrophobicContact CG-CB 3.88Å; R572-M580 PolarHBondContact N-O 3.19Å; R572-M580 VanDerWaalsContact NH2-CE 3.33Å; R572-M580 PolarHBondContact NH2-SD 2.98Å; R572-M580 PolarHBondContact O-N 3.49Å; R572-Y582 PolarHBondContact NH1-O 3.22Å; R572-Y582 PolarHBondContact NH2-O 3.06Å
573I97.8Very high94.7Very high2 Ų246.1 Ų46.11%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-111.8124.7171.8178.861.3000108V532 D533 Q578 L579 W608 M651V532-I573 HydrophobicContact CB-CG2 4.23Å; V532-I573 PolarHBondContact N-O 2.86Å; D533-I573 HydrophobicContact CB-CG2 4.1Å; D533-I573 PolarHBondContact N-O 3Å; D533-I573 WeakPolarHBondContact O-CG2 3.4Å; D533-I573 PolarHBondContact O-N 3.27Å; I573-Q578 WeakPolarHBondContact CD1-O 3.37Å; I573-L579 HydrophobicContact CB-CD1 3.98Å; I573-L579 HydrophobicContact CD1-CB 4.31Å; I573-L579 HydrophobicContact CD1-CD1 4.38Å; I573-W608 HydrophobicContact CD1-CB 3.91Å; I573-M651 HydrophobicContact CG2-CE 4.4Å; I573-M651 HydrophobicContact CG2-SD 3.79Å
574N95.6Very high94.7Very high2 Ų242.7 Ų42.71%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-100.2164.8-175.575.314.2000112.9P529 K530 A576 N577 Q578P529-N574 HydrophobicContact CB-CB 4.22Å; K530-N574 CarbonylContact O-C 3.42Å; K530-N574 WeakPolarHBondContact O-CA 3.25Å; K530-N574 WeakPolarHBondContact O-CB 3.07Å; N574-A576 PolarHBondContact O-N 2.92Å; N574-A576 VanDerWaalsContact O-N 3.14Å; N574-A576 VanDerWaalsContact OD1-C 3.26Å; N574-A576 WeakPolarHBondContact OD1-CA 3.22Å; N574-A576 WeakPolarHBondContact OD1-CB 3.47Å; N574-A576 PolarHBondContact OD1-N 2.97Å; N574-N577 PolarHBondContact O-N 2.96Å; N574-N577 PolarHBondContact OD1-N 3.16Å; N574-N577 VanDerWaalsContact OD1-N 3.13Å; N574-Q578 PolarHBondContact N-O 3.42Å; N574-Q578 VanDerWaalsContact N-O 3.11Å; N574-Q578 PolarHBondContact ND2-OE1 3.33Å; N574-Q578 WeakPolarHBondContact OD1-CB 3.1Å; N574-Q578 PolarHBondContact OD1-N 3.07Å
575E96.2Very high95Very high121 Ų12134.8 Ų34.857%0.56518%0.18SC*.THydrogen-bonded Turntrans-62.1-18.3177.6-72.3179.3170.800113K530 V532 N577K530-E575 HydrophobicContact CB-CG 4.28Å; K530-E575 PolarHBondContact O-N 3.44Å; V532-E575 HydrophobicContact CG2-CG 3.98Å; E575-N577 PolarHBondContact O-N 3.1Å
576A96.1Very high95.4Very high22 Ų2227.5 Ų27.518%0.18214%0.144CC..THydrogen-bonded Turntrans-85.49.2174.100000113.4P529 N574 K606P529-A576 HydrophobicContact CB-CB 4.13Å; P529-A576 HydrophobicContact CG-CB 3.7Å; N574-A576 PolarHBondContact O-N 2.92Å; N574-A576 VanDerWaalsContact O-N 3.14Å; N574-A576 VanDerWaalsContact OD1-C 3.26Å; N574-A576 WeakPolarHBondContact OD1-CA 3.22Å; N574-A576 WeakPolarHBondContact OD1-CB 3.47Å; N574-A576 PolarHBondContact OD1-N 2.97Å; A576-K606 VanDerWaalsContact O-CB 3.26Å; A576-K606 WeakPolarHBondContact O-CB 3.11Å; A576-K606 WeakPolarHBondContact O-CG 3.47Å
577N97.8Very high95.7Very high57 Ų5727.5 Ų27.531%0.30514%0.143SC..SBendtrans66.129.8179.1-58.9-54000114.7N574 E575 K606 E607 W608 I620N574-N577 PolarHBondContact O-N 2.96Å; N574-N577 PolarHBondContact OD1-N 3.16Å; N574-N577 VanDerWaalsContact OD1-N 3.13Å; E575-N577 PolarHBondContact O-N 3.1Å; N577-K606 CarbonylContact O-C 3.54Å; N577-K606 VanDerWaalsContact O-C 3.29Å; N577-K606 WeakPolarHBondContact O-CA 3.31Å; N577-E607 PolarHBondContact O-N 3.28Å; N577-W608 CarbonylContact C-O 3.57Å; N577-W608 VanDerWaalsContact CA-O 3.27Å; N577-W608 WeakPolarHBondContact CA-O 3.44Å; N577-W608 WeakPolarHBondContact CB-O 3.33Å; N577-W608 PolarHBondContact O-N 3.24Å; N577-W608 PolarHBondContact OD1-O 2.7Å; N577-I620 HydrophobicContact CB-CD1 3.89Å
578Q97.7Very high96Very high4 Ų430.5 Ų30.52%0.01915%0.148CC..  trans-102.5126.5174.2-53.5175.6-67.100110.1I573 N574 M580 N601 E604 K606I573-Q578 WeakPolarHBondContact CD1-O 3.37Å; N574-Q578 PolarHBondContact N-O 3.42Å; N574-Q578 VanDerWaalsContact N-O 3.11Å; N574-Q578 PolarHBondContact ND2-OE1 3.33Å; N574-Q578 WeakPolarHBondContact OD1-CB 3.1Å; N574-Q578 PolarHBondContact OD1-N 3.07Å; Q578-M580 HydrophobicContact CB-CG 3.87Å; Q578-M580 HydrophobicContact CB-SD 4.27Å; Q578-N601 PolarHBondContact NE2-O 2.88Å; Q578-E604 PolarHBondContact NE2-O 3.09Å; Q578-K606 HydrophobicContact CG-CG 4.03Å
579L98Very high95.7Very high1 Ų127.7 Ų27.71%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-92.3110.1172.7-171.864.3000108.6I537 R572 I573 C585 L586 W608 F617I537-L579 HydrophobicContact CD1-CD1 3.95Å; I537-L579 HydrophobicContact CD1-CD2 4.08Å; I537-L579 HydrophobicContact CD1-CG 4.4Å; R572-L579 CarbonylContact O-C 3.58Å; I573-L579 HydrophobicContact CB-CD1 3.98Å; I573-L579 HydrophobicContact CD1-CB 4.31Å; I573-L579 HydrophobicContact CD1-CD1 4.38Å; L579-C585 CarbonylContact O-C 3.58Å; L579-C585 VanDerWaalsContact O-CA 3.3Å; L579-C585 WeakPolarHBondContact O-CA 3.43Å; L579-L586 HydrophobicContact CB-CB 4.3Å; L579-L586 HydrophobicContact CD2-CB 4.16Å; L579-L586 HydrophobicContact CD2-CD2 3.82Å; L579-L586 HydrophobicContact CG-CB 4.34Å; L579-L586 HydrophobicContact CG-CD2 4.32Å; L579-L586 PolarHBondContact O-N 2.66Å; L579-W608 HydrophobicContact CB-CB 4.03Å; L579-W608 HydrophobicContact CB-CD2 4.45Å; L579-W608 HydrophobicContact CB-CG 3.73Å; L579-W608 HydrophobicContact CD2-CD2 4.26Å; L579-W608 HydrophobicContact CD2-CG 4.35Å; L579-F617 HydrophobicContact CD1-CE1 3.98Å
580M97.2Very high94.8Very high21 Ų2133 Ų3310%0.10318%0.177CC..EExtended strand (participates in β ladder)trans-119.4151.1-164.6-50.1-176.181.600113.3F571 R572 Q578 Q584F571-M580 CarbonylContact C-O 3.55Å; F571-M580 VanDerWaalsContact CA-O 3.3Å; F571-M580 WeakPolarHBondContact CA-O 3.16Å; R572-M580 HydrophobicContact CG-CB 3.88Å; R572-M580 PolarHBondContact N-O 3.19Å; R572-M580 VanDerWaalsContact NH2-CE 3.33Å; R572-M580 PolarHBondContact NH2-SD 2.98Å; R572-M580 PolarHBondContact O-N 3.49Å; Q578-M580 HydrophobicContact CB-CG 3.87Å; Q578-M580 HydrophobicContact CB-SD 4.27Å; M580-Q584 CarbonylContact C-O 3.56Å; M580-Q584 WeakPolarHBondContact CA-O 3.33Å; M580-Q584 WeakPolarHBondContact CB-O 3.44Å
581Q95.5Very high93.7Very high6 Ų635.9 Ų35.93%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-135.4126.3161.3174.8176.89000108S548 G567 N568 L570 F571 D583 Q584 I597S548-Q581 PolarHBondContact OG-OE1 3.32Å; G567-Q581 PolarHBondContact O-NE2 2.94Å; N568-Q581 VanDerWaalsContact C-NE2 3.3Å; N568-Q581 PolarHBondContact O-NE2 2.91Å; L570-Q581 PolarHBondContact O-NE2 3.41Å; F571-Q581 HydrophobicContact CD1-CB 3.85Å; F571-Q581 HydrophobicContact CE1-CB 3.9Å; Q581-D583 PolarHBondContact O-N 3.16Å; Q581-Q584 PolarHBondContact N-O 3.06Å; Q581-Q584 PolarHBondContact O-N 2.91Å; Q581-Q584 VanDerWaalsContact O-O 3.13Å; Q581-I597 HydrophobicContact CB-CD1 4.17Å
582Y90.7Very high92.7Very high107 Ų10737.1 Ų37.142%0.4221%0.207SC..THydrogen-bonded Turntrans50.2-121.4-171.3-55.9-60.7000112R572R572-Y582 PolarHBondContact NH1-O 3.22Å; R572-Y582 PolarHBondContact NH2-O 3.06Å
583D90.4Very high92.3Very high84 Ų8438.3 Ų38.345%0.44922%0.219SC..THydrogen-bonded Turntrans-9610.317869.5-49.3000113.5Q581 H599Q581-D583 PolarHBondContact O-N 3.16Å; D583-H599 PolarHBondContact O-ND1 3.2Å; D583-H599 IonicContact OD2-CE1 2.79Å; D583-H599 IonicContact OD2-ND1 3.4Å; D583-H599 PolarHBondContact OD2-ND1 3Å
584Q95.3Very high92.2Very high10 Ų1042.3 Ų42.35%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-116.7154.8-175.6-65178.985.400111.7T552 M580 Q581 I597 T598 C600T552-Q584 VanDerWaalsContact CG2-NE2 3.31Å; M580-Q584 CarbonylContact C-O 3.56Å; M580-Q584 WeakPolarHBondContact CA-O 3.33Å; M580-Q584 WeakPolarHBondContact CB-O 3.44Å; Q581-Q584 PolarHBondContact N-O 3.06Å; Q581-Q584 PolarHBondContact O-N 2.91Å; Q581-Q584 VanDerWaalsContact O-O 3.13Å; Q584-I597 HydrophobicContact CB-CD1 3.98Å; Q584-I597 HydrophobicContact CB-CG1 3.65Å; Q584-I597 HydrophobicContact CG-CG1 4.48Å; Q584-T598 CarbonylContact C-O 3.43Å; Q584-T598 VanDerWaalsContact CA-O 3.32Å; Q584-T598 WeakPolarHBondContact CA-O 3.35Å; Q584-T598 WeakPolarHBondContact CB-O 3.49Å; Q584-C600 VanDerWaalsContact C-SG 3.56Å
585C97Very high92.2Very high0 Ų042.3 Ų42.30%024%0.236CC..EExtended strand (participates in β ladder)trans-115.6149175.6-63.30000110.8L579 I597 T598 C600 F605L579-C585 CarbonylContact O-C 3.58Å; L579-C585 VanDerWaalsContact O-CA 3.3Å; L579-C585 WeakPolarHBondContact O-CA 3.43Å; C585-I597 WeakPolarHBondContact O-CA 3.46Å; C585-T598 PolarHBondContact N-O 2.81Å; C585-T598 PolarHBondContact O-N 2.82Å; C585-C600 HydrophobicContact CB-CB 3.46Å; C585-C600 VanDerWaalsContact CB-CB 3.46Å; C585-C600 WeakPolarHBondContact CB-SG 3.26Å; C585-C600 PolarHBondContact N-SG 2.95Å; C585-C600 WeakPolarHBondContact SG-CB 3.35Å; C585-C600 CovalentContact SG-SG 2.02Å; C585-C600 PolarHBondContact SG-SG 3.02Å; C585-F605 HydrophobicContact CB-CB 4.15Å; C585-F605 HydrophobicContact CB-CD2 4.13Å
586L97.4Very high92.3Very high1 Ų138.4 Ų38.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-82131.5167.1-87.559.3000108.5V557 F571 L579 V595 M596 I597 W608V557-L586 HydrophobicContact CG1-CD1 4.24Å; V557-L586 HydrophobicContact CG1-CD2 4.2Å; V557-L586 HydrophobicContact CG1-CG 4.08Å; V557-L586 HydrophobicContact CG2-CD2 4.22Å; F571-L586 HydrophobicContact CD1-CD1 4.04Å; F571-L586 HydrophobicContact CD1-CD2 4.18Å; F571-L586 HydrophobicContact CE1-CD1 3.71Å; F571-L586 HydrophobicContact CE1-CD2 3.91Å; F571-L586 HydrophobicContact CE1-CG 4.48Å; L579-L586 HydrophobicContact CB-CB 4.3Å; L579-L586 HydrophobicContact CD2-CB 4.16Å; L579-L586 HydrophobicContact CD2-CD2 3.82Å; L579-L586 HydrophobicContact CG-CB 4.34Å; L579-L586 HydrophobicContact CG-CD2 4.32Å; L579-L586 PolarHBondContact O-N 2.66Å; L586-V595 HydrophobicContact CB-CG1 3.83Å; L586-V595 HydrophobicContact CD2-CG1 3.94Å; L586-V595 HydrophobicContact CG-CG1 3.86Å; L586-M596 CarbonylContact C-O 3.4Å; L586-M596 VanDerWaalsContact CA-O 3.3Å; L586-M596 WeakPolarHBondContact CA-O 3.5Å; L586-I597 HydrophobicContact CD1-CB 4.15Å; L586-I597 HydrophobicContact CD1-CD1 4.07Å; L586-I597 HydrophobicContact CD1-CG1 4.03Å; L586-W608 PolarHBondContact O-NE1 2.74Å
587T96.7Very high92.3Very high7 Ų737.4 Ų37.44%0.04321%0.21CC..EExtended strand (participates in β ladder)trans-141.2165.7177.2-175.10000111.9G589 M596 T598 F605 E607T587-G589 PolarHBondContact O-N 2.94Å; T587-M596 HydrophobicContact CG2-CE 3.65Å; T587-M596 PolarHBondContact N-O 3.43Å; T587-M596 PolarHBondContact O-N 2.83Å; T587-T598 HydrophobicContact CG2-CG2 3.85Å; T587-F605 VanDerWaalsContact CB-CD1 3.45Å; T587-F605 HydrophobicContact CG2-CD1 3.87Å; T587-F605 HydrophobicContact CG2-CE1 3.84Å; T587-F605 HydrophobicContact CG2-CG 4.26Å; T587-F605 HydrophobicContact CG2-CZ 4.22Å; T587-F605 WeakPolarHBondContact OG1-CD1 3.04Å; T587-E607 WeakPolarHBondContact CA-OE1 3.46Å; T587-E607 WeakPolarHBondContact CB-OE1 3.27Å; T587-E607 VanDerWaalsContact OG1-CD 3.23Å; T587-E607 PolarHBondContact OG1-OE1 2.76Å; T587-E607 PolarHBondContact OG1-OE2 3.05Å
588K95.3Very high92.2Very high92 Ų9236 Ų3640%0.420%0.203SC..EExtended strand (participates in β ladder)trans-67.6123.9172.8-173.3-167.171.4179.30111.4E607 I637K588-E607 PolarHBondContact N-OE1 3.02Å; K588-I637 HydrophobicContact CB-CD1 4.33Å; K588-I637 HydrophobicContact CD-CD1 3.8Å; K588-I637 HydrophobicContact CG-CD1 3.78Å
589G88.7Confident92Very high1 Ų139.9 Ų39.91%0.0122%0.221CC..  trans-66.7161.1174.700000114.3T587 D591 G592 K594T587-G589 PolarHBondContact O-N 2.94Å; G589-D591 PolarHBondContact O-N 2.64Å; G589-G592 PolarHBondContact O-N 2.79Å; G589-K594 PolarHBondContact N-O 2.76Å
590A77.8Confident91.6Very high113 Ų11340.4 Ų40.493%0.93423%0.225SC*.THydrogen-bonded Turntrans-64.6-23.9-178.800000113.6G592A590-G592 PolarHBondContact O-N 2.96Å
591D72.1Confident91.3Very high76 Ų7643.7 Ų43.741%0.40624%0.243SC..THydrogen-bonded Turntrans-72.8-3.2173.755.9-9.3000113.6G589 S593 K594G589-D591 PolarHBondContact O-N 2.64Å; D591-S593 PolarHBondContact O-N 3.07Å; D591-K594 WeakPolarHBondContact OD2-CD 3.26Å; D591-K594 VanDerWaalsContact OD2-CE 3.23Å; D591-K594 WeakPolarHBondContact OD2-CE 3.35Å; D591-K594 VanDerWaalsContact OD2-CG 3.29Å; D591-K594 WeakPolarHBondContact OD2-CG 3.44Å; D591-K594 IonicContact OD2-NZ 3.41Å; D591-K594 PolarHBondContact OD2-NZ 3.4Å
592G75.8Confident91Very high31 Ų3146.4 Ų46.432%0.3226%0.257SS..SBendtrans94.4-14.4159.800000115.9G589 A590G589-G592 PolarHBondContact O-N 2.79Å; A590-G592 PolarHBondContact O-N 2.96Å
593S89.6Confident90.9Very high47 Ų4747.5 Ų47.533%0.32927%0.27SS..SBendtrans-136.3-22.8176.963.20000115.2D591 F636 I637D591-S593 PolarHBondContact O-N 3.07Å; S593-F636 CarbonylContact O-C 3.47Å; S593-F636 WeakPolarHBondContact O-CA 3.37Å; S593-F636 VanDerWaalsContact O-CB 3.29Å; S593-F636 WeakPolarHBondContact O-CB 3.48Å; S593-I637 WeakPolarHBondContact O-CG1 3.26Å; S593-I637 PolarHBondContact O-N 2.92Å
594K95Very high91.1Very high85 Ų8547.3 Ų47.337%0.3727%0.267SS..BIsolated β-bridgetrans-74.6154.5179.7-63.8-168.6-162.6153.80111.5F556 G589 D591F556-K594 HydrophobicContact CD1-CB 3.61Å; F556-K594 HydrophobicContact CD1-CD 4.06Å; F556-K594 HydrophobicContact CD2-CD 4.31Å; F556-K594 HydrophobicContact CE1-CB 3.78Å; F556-K594 HydrophobicContact CE1-CD 4.24Å; F556-K594 HydrophobicContact CE2-CD 4.49Å; F556-K594 HydrophobicContact CG-CB 4.38Å; F556-K594 HydrophobicContact CG-CD 4.09Å; F556-K594 HydrophobicContact CZ-CD 4.45Å; G589-K594 PolarHBondContact N-O 2.76Å; D591-K594 WeakPolarHBondContact OD2-CD 3.26Å; D591-K594 VanDerWaalsContact OD2-CE 3.23Å; D591-K594 WeakPolarHBondContact OD2-CE 3.35Å; D591-K594 VanDerWaalsContact OD2-CG 3.29Å; D591-K594 WeakPolarHBondContact OD2-CG 3.44Å; D591-K594 IonicContact OD2-NZ 3.41Å; D591-K594 PolarHBondContact OD2-NZ 3.4Å
595V97.1Very high91.1Very high3 Ų349.6 Ų49.62%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-96.9126.5173.9-175.80000108.8F556 V557 L586 W608 L626 V635 I637F556-V595 WeakPolarHBondContact CA-O 3.13Å; V557-V595 HydrophobicContact CG2-CB 3.68Å; V557-V595 HydrophobicContact CG2-CG1 3.71Å; V557-V595 PolarHBondContact N-O 2.75Å; L586-V595 HydrophobicContact CB-CG1 3.83Å; L586-V595 HydrophobicContact CD2-CG1 3.94Å; L586-V595 HydrophobicContact CG-CG1 3.86Å; V595-W608 HydrophobicContact CG1-CZ2 4.21Å; V595-W608 HydrophobicContact CG2-CH2 4.13Å; V595-W608 HydrophobicContact CG2-CZ2 4.27Å; V595-L626 HydrophobicContact CG2-CD1 3.82Å; V595-V635 HydrophobicContact CB-CG1 4.42Å; V595-V635 HydrophobicContact CG2-CG1 4.18Å; V595-I637 HydrophobicContact CG2-CG2 4.24Å
596M96.4Very high91.1Very high39 Ų3953.7 Ų53.719%0.19230%0.295CS..EExtended strand (participates in β ladder)trans-113.8142.7-175.9-175.7-175.972.600109.3G554 G555 F556 L586 T587 T598G554-M596 WeakPolarHBondContact O-CG 3.18Å; G555-M596 CarbonylContact O-C 3.18Å; G555-M596 WeakPolarHBondContact O-CA 3.48Å; G555-M596 WeakPolarHBondContact O-CG 3.43Å; F556-M596 HydrophobicContact CD1-CB 4.07Å; F556-M596 HydrophobicContact CE1-CB 4.18Å; L586-M596 CarbonylContact C-O 3.4Å; L586-M596 VanDerWaalsContact CA-O 3.3Å; L586-M596 WeakPolarHBondContact CA-O 3.5Å; T587-M596 HydrophobicContact CG2-CE 3.65Å; T587-M596 PolarHBondContact N-O 3.43Å; T587-M596 PolarHBondContact O-N 2.83Å; M596-T598 HydrophobicContact CE-CG2 3.96Å
597I96.9Very high91Very high0 Ų054.7 Ų54.70%030%0.299CS..EExtended strand (participates in β ladder)trans-101.2130.6171.1-173.7168.2000109.8K551 N553 G554 G555 V557 Q581 Q584 C585 L586K551-I597 HydrophobicContact CB-CG2 4.3Å; K551-I597 WeakPolarHBondContact O-CG2 3.38Å; N553-I597 PolarHBondContact N-O 3.39Å; G554-I597 PolarHBondContact N-O 3.48Å; G555-I597 WeakPolarHBondContact O-CG2 3.49Å; G555-I597 PolarHBondContact O-N 3.22Å; V557-I597 HydrophobicContact CG1-CB 4.05Å; V557-I597 HydrophobicContact CG1-CG2 4.26Å; Q581-I597 HydrophobicContact CB-CD1 4.17Å; Q584-I597 HydrophobicContact CB-CD1 3.98Å; Q584-I597 HydrophobicContact CB-CG1 3.65Å; Q584-I597 HydrophobicContact CG-CG1 4.48Å; C585-I597 WeakPolarHBondContact O-CA 3.46Å; L586-I597 HydrophobicContact CD1-CB 4.15Å; L586-I597 HydrophobicContact CD1-CD1 4.07Å; L586-I597 HydrophobicContact CD1-CG1 4.03Å
598T95.7Very high91.1Very high28 Ų2854.3 Ų54.317%0.17230%0.297CS..EExtended strand (participates in β ladder)trans-150.8156.9178.8-172.30000111.2Q584 C585 T587 M596 C600 F605Q584-T598 CarbonylContact C-O 3.43Å; Q584-T598 VanDerWaalsContact CA-O 3.32Å; Q584-T598 WeakPolarHBondContact CA-O 3.35Å; Q584-T598 WeakPolarHBondContact CB-O 3.49Å; C585-T598 PolarHBondContact N-O 2.81Å; C585-T598 PolarHBondContact O-N 2.82Å; T587-T598 HydrophobicContact CG2-CG2 3.85Å; M596-T598 HydrophobicContact CE-CG2 3.96Å; T598-C600 PolarHBondContact O-N 3.45Å; T598-F605 HydrophobicContact CG2-CD2 4.24Å; T598-F605 HydrophobicContact CG2-CE2 3.5Å; T598-F605 VanDerWaalsContact CG2-CE2 3.5Å; T598-F605 HydrophobicContact CG2-CZ 3.74Å
599H93.4Very high91.2Very high86 Ų8653.8 Ų53.840%0.39830%0.296SS..EExtended strand (participates in β ladder)trans-54.6140.6171.1-174.273.6000111D583D583-H599 PolarHBondContact O-ND1 3.2Å; D583-H599 IonicContact OD2-CE1 2.79Å; D583-H599 IonicContact OD2-ND1 3.4Å; D583-H599 PolarHBondContact OD2-ND1 3Å
600C90.3Very high91.7Very high11 Ų1154.7 Ų54.77%0.07430%0.299CS..  trans-140.4137.5-176.661.80000112.4Q584 C585 T598 F605Q584-C600 VanDerWaalsContact C-SG 3.56Å; C585-C600 HydrophobicContact CB-CB 3.46Å; C585-C600 VanDerWaalsContact CB-CB 3.46Å; C585-C600 WeakPolarHBondContact CB-SG 3.26Å; C585-C600 PolarHBondContact N-SG 2.95Å; C585-C600 WeakPolarHBondContact SG-CB 3.35Å; C585-C600 CovalentContact SG-SG 2.02Å; C585-C600 PolarHBondContact SG-SG 3.02Å; T598-C600 PolarHBondContact O-N 3.45Å; C600-F605 HydrophobicContact CB-CD2 3.57Å; C600-F605 HydrophobicContact CB-CE2 4.05Å
601N90.1Very high92.6Very high90 Ų9052.8 Ų52.848%0.48127%0.27SS..  trans-86.6171.8170.7-63.9-63.8000111.5Q578 N603 E604Q578-N601 PolarHBondContact NE2-O 2.88Å; N601-N603 PolarHBondContact O-N 3.16Å; N601-E604 HydrophobicContact CB-CG 4.28Å; N601-E604 WeakPolarHBondContact CB-OE2 3.44Å; N601-E604 PolarHBondContact N-OE2 2.69Å; N601-E604 PolarHBondContact ND2-OE2 2.89Å; N601-E604 PolarHBondContact O-N 3.42Å; N601-E604 VanDerWaalsContact O-N 3.14Å
602L88.9Confident93.6Very high64 Ų6454.5 Ų54.534%0.33527%0.273SS..THydrogen-bonded Turntrans-51.8-26.9178.9-105.9-173.8000115.1P526 P529 K606P526-L602 HydrophobicContact CB-CD1 3.08Å; P526-L602 HydrophobicContact CB-CG 3.72Å; P526-L602 HydrophobicContact CG-CD1 3.69Å; P526-L602 HydrophobicContact CG-CG 4.15Å; P529-L602 HydrophobicContact CG-CD2 4.13Å; L602-K606 WeakPolarHBondContact O-CE 2.99Å; L602-K606 PolarHBondContact O-NZ 3.11Å; L602-K606 VanDerWaalsContact O-NZ 3.14Å
603N89.8Confident94.5Very high130 Ų13060.5 Ų60.570%0.69530%0.298SS*.THydrogen-bonded Turntrans-110.62.6-173.5-69.6-36.8000114.1N601 K606N601-N603 PolarHBondContact O-N 3.16Å; N603-K606 PolarHBondContact OD1-NZ 2.96Å
604E93.9Very high94.8Very high79 Ų7963.2 Ų63.237%0.36931%0.309SS..SBendtrans-101.6151.2-177.4-67.8174.4148.900111.1Q578 N601 K606Q578-E604 PolarHBondContact NE2-O 3.09Å; N601-E604 HydrophobicContact CB-CG 4.28Å; N601-E604 WeakPolarHBondContact CB-OE2 3.44Å; N601-E604 PolarHBondContact N-OE2 2.69Å; N601-E604 PolarHBondContact ND2-OE2 2.89Å; N601-E604 PolarHBondContact O-N 3.42Å; N601-E604 VanDerWaalsContact O-N 3.14Å; E604-K606 VanDerWaalsContact C-N 3.25Å; E604-K606 PolarHBondContact O-N 3.34Å; E604-K606 VanDerWaalsContact O-N 3.14Å
605F95.6Very high94.8Very high59 Ų5961.8 Ų61.826%0.25930%0.303SS..  trans51.839173.2-43.3-57.1000114.8C585 T587 T598 C600 E607C585-F605 HydrophobicContact CB-CB 4.15Å; C585-F605 HydrophobicContact CB-CD2 4.13Å; T587-F605 VanDerWaalsContact CB-CD1 3.45Å; T587-F605 HydrophobicContact CG2-CD1 3.87Å; T587-F605 HydrophobicContact CG2-CE1 3.84Å; T587-F605 HydrophobicContact CG2-CG 4.26Å; T587-F605 HydrophobicContact CG2-CZ 4.22Å; T587-F605 WeakPolarHBondContact OG1-CD1 3.04Å; T598-F605 HydrophobicContact CG2-CD2 4.24Å; T598-F605 HydrophobicContact CG2-CE2 3.5Å; T598-F605 VanDerWaalsContact CG2-CE2 3.5Å; T598-F605 HydrophobicContact CG2-CZ 3.74Å; C600-F605 HydrophobicContact CB-CD2 3.57Å; C600-F605 HydrophobicContact CB-CE2 4.05Å; F605-E607 HydrophobicContact CB-CG 4.49Å; F605-E607 PolarHBondContact O-N 3.48Å
606K96.6Very high94.8Very high86 Ų8663.9 Ų63.937%0.37431%0.312SS..  trans-77.658.6171.2-62.7-172.9171.6167.50111.2A576 N577 Q578 L602 N603 E604A576-K606 VanDerWaalsContact O-CB 3.26Å; A576-K606 WeakPolarHBondContact O-CB 3.11Å; A576-K606 WeakPolarHBondContact O-CG 3.47Å; N577-K606 CarbonylContact O-C 3.54Å; N577-K606 VanDerWaalsContact O-C 3.29Å; N577-K606 WeakPolarHBondContact O-CA 3.31Å; Q578-K606 HydrophobicContact CG-CG 4.03Å; L602-K606 WeakPolarHBondContact O-CE 2.99Å; L602-K606 PolarHBondContact O-NZ 3.11Å; L602-K606 VanDerWaalsContact O-NZ 3.14Å; N603-K606 PolarHBondContact OD1-NZ 2.96Å; E604-K606 VanDerWaalsContact C-N 3.25Å; E604-K606 PolarHBondContact O-N 3.34Å; E604-K606 VanDerWaalsContact O-N 3.14Å
607E96.6Very high94.9Very high21 Ų2162 Ų6210%0.09830%0.303CS..  trans-125.54.3-161.465.7-172.7-140.800115N577 T587 K588 F605 H619 I620 P621N577-E607 PolarHBondContact O-N 3.28Å; T587-E607 WeakPolarHBondContact CA-OE1 3.46Å; T587-E607 WeakPolarHBondContact CB-OE1 3.27Å; T587-E607 VanDerWaalsContact OG1-CD 3.23Å; T587-E607 PolarHBondContact OG1-OE1 2.76Å; T587-E607 PolarHBondContact OG1-OE2 3.05Å; K588-E607 PolarHBondContact N-OE1 3.02Å; F605-E607 HydrophobicContact CB-CG 4.49Å; F605-E607 PolarHBondContact O-N 3.48Å; E607-H619 CarbonylContact O-C 3.58Å; E607-H619 VanDerWaalsContact O-CA 3.3Å; E607-H619 WeakPolarHBondContact O-CA 3.41Å; E607-H619 IonicContact OE1-CD2 2.77Å; E607-H619 IonicContact OE1-NE2 3.57Å; E607-H619 PolarHBondContact OE1-NE2 2.82Å; E607-H619 IonicContact OE2-NE2 3.83Å; E607-I620 PolarHBondContact O-N 3.48Å; E607-P621 HydrophobicContact CB-CG 3.85Å
608W97.9Very high95Very high0 Ų063.2 Ų63.20%031%0.31CS..EExtended strand (participates in β ladder)trans-117.8135.1-177.7-66.598.6000112.6I573 N577 L579 L586 V595 F617 H619 L626 I637I573-W608 HydrophobicContact CD1-CB 3.91Å; N577-W608 CarbonylContact C-O 3.57Å; N577-W608 VanDerWaalsContact CA-O 3.27Å; N577-W608 WeakPolarHBondContact CA-O 3.44Å; N577-W608 WeakPolarHBondContact CB-O 3.33Å; N577-W608 PolarHBondContact O-N 3.24Å; N577-W608 PolarHBondContact OD1-O 2.7Å; L579-W608 HydrophobicContact CB-CB 4.03Å; L579-W608 HydrophobicContact CB-CD2 4.45Å; L579-W608 HydrophobicContact CB-CG 3.73Å; L579-W608 HydrophobicContact CD2-CD2 4.26Å; L579-W608 HydrophobicContact CD2-CG 4.35Å; L586-W608 PolarHBondContact O-NE1 2.74Å; V595-W608 HydrophobicContact CG1-CZ2 4.21Å; V595-W608 HydrophobicContact CG2-CH2 4.13Å; V595-W608 HydrophobicContact CG2-CZ2 4.27Å; W608-F617 HydrophobicContact CE3-CB 4.41Å; W608-H619 HydrophobicContact CE3-CB 4.4Å; W608-H619 HydrophobicContact CH2-CB 4.3Å; W608-H619 HydrophobicContact CZ3-CB 4.07Å; W608-L626 HydrophobicContact CH2-CD1 3.83Å; W608-L626 HydrophobicContact CZ3-CB 4.17Å; W608-L626 HydrophobicContact CZ3-CD1 4.08Å; W608-I637 HydrophobicContact CH2-CG2 3.62Å; W608-I637 HydrophobicContact CZ3-CG2 4.22Å
609Q97.6Very high95.1Very high80 Ų8062.1 Ų62.137%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-125.8132.4168.8-169.217311.200110.1F611 F617 T618 I620Q609-F611 HydrophobicContact CB-CE2 4.08Å; Q609-F611 HydrophobicContact CB-CZ 4.47Å; Q609-F611 HydrophobicContact CG-CD2 4.33Å; Q609-F611 HydrophobicContact CG-CE1 4.31Å; Q609-F611 HydrophobicContact CG-CE2 3.67Å; Q609-F611 HydrophobicContact CG-CZ 3.69Å; Q609-F611 VanDerWaalsContact NE2-CZ 3.29Å; Q609-F611 VanDerWaalsContact OE1-CZ 3.28Å; Q609-F617 WeakPolarHBondContact O-CA 3.37Å; Q609-T618 PolarHBondContact N-O 3.47Å; Q609-T618 PolarHBondContact O-N 2.68Å; Q609-I620 HydrophobicContact CB-CD1 4.27Å; Q609-I620 HydrophobicContact CB-CG1 4.19Å
610Y97.9Very high95.2Very high21 Ų2161.6 Ų61.68%0.08230%0.302CS..EExtended strand (participates in β ladder)trans-106.8128.6176.7179.8-130.1000111.3D533 K612 K616 F617 M651D533-Y610 HydrophobicContact CB-CD1 4.22Å; D533-Y610 HydrophobicContact CB-CE1 4.33Å; Y610-K612 HydrophobicContact CE1-CB 3.99Å; Y610-K612 HydrophobicContact CE1-CG 4.31Å; Y610-K616 WeakPolarHBondContact CD2-O 3.47Å; Y610-F617 HydrophobicContact CD1-CZ 4.25Å; Y610-F617 AromaticContact CD2-CD1 3.97Å; Y610-F617 HydrophobicContact CD2-CD1 3.97Å; Y610-F617 AromaticContact CD2-CD2 3.57Å; Y610-F617 HydrophobicContact CD2-CD2 3.57Å; Y610-F617 AromaticContact CD2-CE1 3.7Å; Y610-F617 HydrophobicContact CD2-CE1 3.7Å; Y610-F617 AromaticContact CD2-CE2 3.25Å; Y610-F617 HydrophobicContact CD2-CE2 3.25Å; Y610-F617 AromaticContact CD2-CG 3.91Å; Y610-F617 HydrophobicContact CD2-CG 3.91Å; Y610-F617 AromaticContact CD2-CZ 3.32Å; Y610-F617 HydrophobicContact CD2-CZ 3.32Å; Y610-F617 AromaticContact CE2-CD2 3.92Å; Y610-F617 HydrophobicContact CE2-CD2 3.92Å; Y610-F617 AromaticContact CE2-CE2 3.41Å; Y610-F617 HydrophobicContact CE2-CE2 3.41Å; Y610-F617 VanDerWaalsContact CE2-CE2 3.41Å; Y610-F617 AromaticContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CG-CD1 4.25Å; Y610-F617 AromaticContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE2 4.03Å; Y610-F617 AromaticContact CG-CZ 3.59Å; Y610-F617 HydrophobicContact CG-CZ 3.59Å; Y610-M651 HydrophobicContact CE1-CB 3.79Å; Y610-M651 PolarHBondContact OH-N 3.36Å
611F96.7Very high95.4Very high73 Ų7365.6 Ų65.632%0.3233%0.329SS..EExtended strand (participates in β ladder)trans-115.396.2175.6-61.4-86.7000109.7Q609 N613 L614 H615 K616Q609-F611 HydrophobicContact CB-CE2 4.08Å; Q609-F611 HydrophobicContact CB-CZ 4.47Å; Q609-F611 HydrophobicContact CG-CD2 4.33Å; Q609-F611 HydrophobicContact CG-CE1 4.31Å; Q609-F611 HydrophobicContact CG-CE2 3.67Å; Q609-F611 HydrophobicContact CG-CZ 3.69Å; Q609-F611 VanDerWaalsContact NE2-CZ 3.29Å; Q609-F611 VanDerWaalsContact OE1-CZ 3.28Å; F611-N613 PolarHBondContact O-N 3.11Å; F611-L614 HydrophobicContact CB-CB 3.91Å; F611-L614 HydrophobicContact CB-CD1 4.02Å; F611-L614 HydrophobicContact CB-CG 4.14Å; F611-L614 HydrophobicContact CG-CD1 4.24Å; F611-L614 CarbonylContact O-C 3.55Å; F611-L614 PolarHBondContact O-N 3.44Å; F611-H615 PolarHBondContact O-N 2.71Å; F611-K616 PolarHBondContact N-O 2.69Å; F611-K616 PolarHBondContact O-N 3.15Å
612K94.3Very high95.6Very high111 Ų11163.6 Ų63.648%0.48332%0.321SS..G310 helixtrans-53.4-49.1-177.2-167.8167.3-165.4141.60113.1D533 Y610 L614 H615D533-K612 IonicContact OD2-NZ 2.85Å; D533-K612 PolarHBondContact OD2-NZ 3.42Å; Y610-K612 HydrophobicContact CE1-CB 3.99Å; Y610-K612 HydrophobicContact CE1-CG 4.31Å; K612-L614 PolarHBondContact O-N 3.45Å; K612-H615 PolarHBondContact O-N 3.24Å; K612-H615 VanDerWaalsContact O-N 3.08Å
613N94.6Very high95.9Very high157 Ų15762.8 Ų62.884%0.8433%0.329SS*.G310 helixtrans-66-22.3-179.5-62.2-16.9000113.8F611F611-N613 PolarHBondContact O-N 3.11Å
614L94.8Very high96.3Very high105 Ų10559.4 Ų59.455%0.5531%0.308SS..G310 helixtrans-99.1-2.2178.3-59.8179.8000112.2F611 K612 K616F611-L614 HydrophobicContact CB-CB 3.91Å; F611-L614 HydrophobicContact CB-CD1 4.02Å; F611-L614 HydrophobicContact CB-CG 4.14Å; F611-L614 HydrophobicContact CG-CD1 4.24Å; F611-L614 CarbonylContact O-C 3.55Å; F611-L614 PolarHBondContact O-N 3.44Å; K612-L614 PolarHBondContact O-N 3.45Å; L614-K616 HydrophobicContact CB-CB 4Å; L614-K616 PolarHBondContact O-N 3.04Å
615H96.8Very high96.5Very high55 Ų5555.6 Ų55.626%0.25529%0.29SS..THydrogen-bonded Turntrans48.242.8-170.1-62.1-67000112.2F540 F611 K612 K648 W649F540-H615 HydrophobicContact CD2-CB 4.24Å; F540-H615 AromaticContact CD2-CD2 3.76Å; F540-H615 AromaticContact CD2-CE1 3.79Å; F540-H615 AromaticContact CD2-CG 3.6Å; F540-H615 AromaticContact CD2-ND1 3.62Å; F540-H615 AromaticContact CD2-NE2 3.89Å; F540-H615 AromaticContact CE2-CD2 3.57Å; F540-H615 AromaticContact CE2-CE1 3.56Å; F540-H615 AromaticContact CE2-CG 3.89Å; F540-H615 AromaticContact CE2-ND1 3.88Å; F540-H615 AromaticContact CE2-NE2 3.36Å; F540-H615 WeakPolarHBondContact CE2-NE2 2.83Å; F611-H615 PolarHBondContact O-N 2.71Å; K612-H615 PolarHBondContact O-N 3.24Å; K612-H615 VanDerWaalsContact O-N 3.08Å; H615-K648 HydrophobicContact CB-CB 4.05Å; H615-K648 HydrophobicContact CB-CG 4.45Å; H615-K648 CarbonylContact O-C 3.52Å; H615-K648 WeakPolarHBondContact O-CA 3.45Å; H615-W649 CarbonylContact C-O 3.39Å; H615-W649 VanDerWaalsContact CA-O 3.22Å; H615-W649 WeakPolarHBondContact CA-O 3.39Å; H615-W649 VanDerWaalsContact CB-O 3.32Å; H615-W649 WeakPolarHBondContact CB-O 2.82Å; H615-W649 PolarHBondContact O-N 3.29Å
616K96.9Very high96.6Very high46 Ų4652.9 Ų52.920%0.228%0.278CS..EExtended strand (participates in β ladder)trans-132130.8-165.9-175.5177-75.1-176.80112.4Y610 F611 L614 C625Y610-K616 WeakPolarHBondContact CD2-O 3.47Å; F611-K616 PolarHBondContact N-O 2.69Å; F611-K616 PolarHBondContact O-N 3.15Å; L614-K616 HydrophobicContact CB-CB 4Å; L614-K616 PolarHBondContact O-N 3.04Å; K616-C625 VanDerWaalsContact CD-SG 3.52Å
617F98.3Very high96.6Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-101.9126.3163.8-75.9-93.2000109.4I537 L579 W608 Q609 Y610 C625 L626 W649 M651I537-F617 HydrophobicContact CD1-CZ 4.39Å; I537-F617 HydrophobicContact CG1-CZ 4.39Å; I537-F617 HydrophobicContact CG2-CD2 4.41Å; I537-F617 HydrophobicContact CG2-CE2 3.85Å; I537-F617 HydrophobicContact CG2-CZ 4.35Å; L579-F617 HydrophobicContact CD1-CE1 3.98Å; W608-F617 HydrophobicContact CE3-CB 4.41Å; Q609-F617 WeakPolarHBondContact O-CA 3.37Å; Y610-F617 HydrophobicContact CD1-CZ 4.25Å; Y610-F617 AromaticContact CD2-CD1 3.97Å; Y610-F617 HydrophobicContact CD2-CD1 3.97Å; Y610-F617 AromaticContact CD2-CD2 3.57Å; Y610-F617 HydrophobicContact CD2-CD2 3.57Å; Y610-F617 AromaticContact CD2-CE1 3.7Å; Y610-F617 HydrophobicContact CD2-CE1 3.7Å; Y610-F617 AromaticContact CD2-CE2 3.25Å; Y610-F617 HydrophobicContact CD2-CE2 3.25Å; Y610-F617 AromaticContact CD2-CG 3.91Å; Y610-F617 HydrophobicContact CD2-CG 3.91Å; Y610-F617 AromaticContact CD2-CZ 3.32Å; Y610-F617 HydrophobicContact CD2-CZ 3.32Å; Y610-F617 AromaticContact CE2-CD2 3.92Å; Y610-F617 HydrophobicContact CE2-CD2 3.92Å; Y610-F617 AromaticContact CE2-CE2 3.41Å; Y610-F617 HydrophobicContact CE2-CE2 3.41Å; Y610-F617 VanDerWaalsContact CE2-CE2 3.41Å; Y610-F617 AromaticContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CE2-CZ 3.8Å; Y610-F617 HydrophobicContact CG-CD1 4.25Å; Y610-F617 AromaticContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE1 3.72Å; Y610-F617 HydrophobicContact CG-CE2 4.03Å; Y610-F617 AromaticContact CG-CZ 3.59Å; Y610-F617 HydrophobicContact CG-CZ 3.59Å; F617-C625 WeakPolarHBondContact O-CA 3.44Å; F617-L626 HydrophobicContact CB-CB 3.73Å; F617-L626 HydrophobicContact CB-CD2 3.88Å; F617-L626 HydrophobicContact CB-CG 4.49Å; F617-L626 HydrophobicContact CD2-CD2 4.23Å; F617-L626 HydrophobicContact CG-CD2 4.12Å; F617-L626 PolarHBondContact O-N 2.76Å; F617-W649 HydrophobicContact CD2-CB 3.82Å; F617-W649 HydrophobicContact CD2-CG 4.19Å; F617-W649 HydrophobicContact CE2-CB 3.99Å; F617-M651 HydrophobicContact CZ-SD 4.07Å
618T97.8Very high96.7Very high26 Ų2648.3 Ų48.316%0.1626%0.258CS..EExtended strand (participates in β ladder)trans-115.1131.2179-55.40000109.6Q609 I620Q609-T618 PolarHBondContact N-O 3.47Å; Q609-T618 PolarHBondContact O-N 2.68Å; T618-I620 PolarHBondContact O-N 2.87Å
619H97.6Very high96.6Very high4 Ų449.7 Ų49.72%0.01927%0.268CS..EExtended strand (participates in β ladder)trans-83.7106.7169.2178.2-108.2000109E607 W608 S622 G623 K624 I637E607-H619 CarbonylContact O-C 3.58Å; E607-H619 VanDerWaalsContact O-CA 3.3Å; E607-H619 WeakPolarHBondContact O-CA 3.41Å; E607-H619 IonicContact OE1-CD2 2.77Å; E607-H619 IonicContact OE1-NE2 3.57Å; E607-H619 PolarHBondContact OE1-NE2 2.82Å; E607-H619 IonicContact OE2-NE2 3.83Å; W608-H619 HydrophobicContact CE3-CB 4.4Å; W608-H619 HydrophobicContact CH2-CB 4.3Å; W608-H619 HydrophobicContact CZ3-CB 4.07Å; H619-S622 WeakPolarHBondContact ND1-CB 3.3Å; H619-S622 PolarHBondContact ND1-OG 2.71Å; H619-S622 PolarHBondContact O-N 2.05Å; H619-G623 PolarHBondContact O-N 3.47Å; H619-K624 PolarHBondContact N-O 3.43Å; H619-I637 HydrophobicContact CB-CD1 4.34Å; H619-I637 HydrophobicContact CB-CG2 4.39Å
620I96.5Very high96.2Very high75 Ų7549 Ų4939%0.38527%0.265SS..G310 helixtrans-56-51.3-168.9-58.2168.6000111.9N577 E607 Q609 T618 S622 G623N577-I620 HydrophobicContact CB-CD1 3.89Å; E607-I620 PolarHBondContact O-N 3.48Å; Q609-I620 HydrophobicContact CB-CD1 4.27Å; Q609-I620 HydrophobicContact CB-CG1 4.19Å; T618-I620 PolarHBondContact O-N 2.87Å; I620-S622 VanDerWaalsContact C-N 3.29Å; I620-S622 PolarHBondContact O-N 2.67Å; I620-G623 PolarHBondContact O-N 2.87Å
621P95.1Very high95.8Very high96 Ų9654.2 Ų54.262%0.62330%0.298SS*.G310 helixtrans-63.7-30.1-174.4-23.334.3000114.6E607E607-P621 HydrophobicContact CB-CG 3.85Å
622S94.3Very high95.5Very high47 Ų4755.9 Ų55.933%0.32931%0.31SS..G310 helixtrans-105.2-8.2-176.973.60000114.4H619 I620 K624H619-S622 WeakPolarHBondContact ND1-CB 3.3Å; H619-S622 PolarHBondContact ND1-OG 2.71Å; H619-S622 PolarHBondContact O-N 2.05Å; I620-S622 VanDerWaalsContact C-N 3.29Å; I620-S622 PolarHBondContact O-N 2.67Å; S622-K624 PolarHBondContact O-N 3.11Å; S622-K624 VanDerWaalsContact OG-CB 3.28Å; S622-K624 WeakPolarHBondContact OG-CB 3.39Å; S622-K624 WeakPolarHBondContact OG-CG 3.44Å; S622-K624 PolarHBondContact OG-N 2.79Å
623G95.2Very high95.4Very high48 Ų4854.1 Ų54.150%0.49530%0.303SS..THydrogen-bonded Turntrans60.620.3-171.500000114.1H619 I620 C640H619-G623 PolarHBondContact O-N 3.47Å; I620-G623 PolarHBondContact O-N 2.87Å; G623-C640 PolarHBondContact O-SG 3.4Å; G623-C640 VanDerWaalsContact O-SG 3.4Å
624K96.9Very high95.4Very high58 Ų5850.9 Ų50.925%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-93.1156.5-179.2-71.3-177.1179.4-178.50110.3H619 S622 I637 S638 C640H619-K624 PolarHBondContact N-O 3.43Å; S622-K624 PolarHBondContact O-N 3.11Å; S622-K624 VanDerWaalsContact OG-CB 3.28Å; S622-K624 WeakPolarHBondContact OG-CB 3.39Å; S622-K624 WeakPolarHBondContact OG-CG 3.44Å; S622-K624 PolarHBondContact OG-N 2.79Å; K624-I637 HydrophobicContact CB-CB 4.07Å; K624-I637 HydrophobicContact CB-CD1 4.32Å; K624-I637 HydrophobicContact CB-CG1 4.45Å; K624-I637 HydrophobicContact CD-CB 4.5Å; K624-I637 HydrophobicContact CD-CD1 4.12Å; K624-I637 HydrophobicContact CD-CG1 4.13Å; K624-S638 CarbonylContact C-O 3.57Å; K624-S638 WeakPolarHBondContact CA-O 3.44Å; K624-S638 VanDerWaalsContact CB-O 3.23Å; K624-S638 WeakPolarHBondContact CB-O 3.17Å; K624-C640 VanDerWaalsContact C-SG 3.57Å
625C97.8Very high95.5Very high0 Ų046.2 Ų46.20%026%0.259CS..EExtended strand (participates in β ladder)trans-102.3146.6178.3-76.10000110.5K616 F617 I637 S638 C640 Q647K616-C625 VanDerWaalsContact CD-SG 3.52Å; F617-C625 WeakPolarHBondContact O-CA 3.44Å; C625-I637 VanDerWaalsContact O-CA 3.3Å; C625-I637 WeakPolarHBondContact O-CA 3.42Å; C625-S638 PolarHBondContact N-O 3.01Å; C625-S638 PolarHBondContact O-N 2.73Å; C625-C640 HydrophobicContact CB-CB 4.04Å; C625-C640 WeakPolarHBondContact CB-SG 3.35Å; C625-C640 PolarHBondContact N-SG 3.13Å; C625-C640 VanDerWaalsContact SG-CA 3.59Å; C625-C640 WeakPolarHBondContact SG-CB 3.46Å; C625-C640 CovalentContact SG-SG 2.04Å; C625-C640 PolarHBondContact SG-SG 2.88Å; C625-Q647 HydrophobicContact CB-CB 4.44Å; C625-Q647 HydrophobicContact CB-CG 4.29Å
626L98.3Very high95.5Very high2 Ų246 Ų461%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-65130.8170-168.664.7000109.5I546 V595 W608 F617 V635 I637 Q647 W649I546-L626 HydrophobicContact CD1-CD2 3.69Å; V595-L626 HydrophobicContact CG2-CD1 3.82Å; W608-L626 HydrophobicContact CH2-CD1 3.83Å; W608-L626 HydrophobicContact CZ3-CB 4.17Å; W608-L626 HydrophobicContact CZ3-CD1 4.08Å; F617-L626 HydrophobicContact CB-CB 3.73Å; F617-L626 HydrophobicContact CB-CD2 3.88Å; F617-L626 HydrophobicContact CB-CG 4.49Å; F617-L626 HydrophobicContact CD2-CD2 4.23Å; F617-L626 HydrophobicContact CG-CD2 4.12Å; F617-L626 PolarHBondContact O-N 2.76Å; L626-V635 HydrophobicContact CD1-CG1 3.77Å; L626-I637 HydrophobicContact CD1-CG2 4.35Å; L626-Q647 WeakPolarHBondContact O-CA 3.5Å; L626-W649 HydrophobicContact CD2-CD2 4.41Å; L626-W649 HydrophobicContact CD2-CZ2 4.39Å; L626-W649 HydrophobicContact CG-CZ2 4.1Å; L626-W649 PolarHBondContact O-NE1 3.13Å
627D97.9Very high95.5Very high4 Ų444 Ų442%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-138.7161.5-171.2-158-8.1000109.8F636 S638 T646 Q647D627-F636 HydrophobicContact CB-CD2 4.02Å; D627-F636 HydrophobicContact CB-CE2 3.67Å; D627-F636 HydrophobicContact CB-CZ 4.05Å; D627-F636 PolarHBondContact N-O 2.63Å; D627-F636 PolarHBondContact O-N 2.86Å; D627-S638 PolarHBondContact OD2-OG 3.49Å; D627-T646 WeakPolarHBondContact OD1-CB 3.23Å; D627-T646 PolarHBondContact OD1-OG1 3.05Å; D627-Q647 HydrophobicContact CB-CG 3.97Å; D627-Q647 PolarHBondContact OD2-NE2 2.62Å
628R97.2Very high95.5Very high6 Ų644.9 Ų44.92%0.02326%0.255CS..EExtended strand (participates in β ladder)trans-140.5156-177.967.3-177.8-179.3-90.63.4113G539 L559 E630 Q634 T645 T646 K648 W649G539-R628 VanDerWaalsContact CA-CZ 3.49Å; L559-R628 HydrophobicContact CD1-CB 4.49Å; L559-R628 HydrophobicContact CD2-CB 4.26Å; R628-E630 HydrophobicContact CG-CG 4.42Å; R628-E630 IonicContact CZ-OE1 3.55Å; R628-E630 IonicContact NE-OE1 2.92Å; R628-E630 PolarHBondContact NE-OE1 3.49Å; R628-E630 IonicContact NH2-OE1 3.27Å; R628-E630 PolarHBondContact NH2-OE1 2.84Å; R628-Q634 VanDerWaalsContact CA-O 3.27Å; R628-Q634 WeakPolarHBondContact CA-O 3.4Å; R628-T645 PolarHBondContact NH2-O 3.18Å; R628-T646 HydrophobicContact CG-CG2 4.37Å; R628-T646 PolarHBondContact NH1-O 3.19Å; R628-T646 WeakPolarHBondContact O-CB 3.3Å; R628-K648 PolarHBondContact NH1-O 2.77Å; R628-W649 HydrophobicContact CB-CH2 3.66Å; R628-W649 HydrophobicContact CB-CZ2 3.71Å; R628-W649 HydrophobicContact CG-CH2 4Å; R628-W649 HydrophobicContact CG-CZ2 4Å
629S95.5Very high95.4Very high30 Ų3049.5 Ų49.521%0.2128%0.279CS..EExtended strand (participates in β ladder)trans-118.5113.2162.2177.20000108.8V631 L632 H633 Q634S629-V631 VanDerWaalsContact C-N 3.29Å; S629-V631 PolarHBondContact O-N 3.23Å; S629-L632 PolarHBondContact OG-N 3.1Å; S629-H633 WeakPolarHBondContact O-CA 3.44Å; S629-H633 PolarHBondContact O-N 3.24Å; S629-Q634 PolarHBondContact N-O 2.92Å; S629-Q634 PolarHBondContact O-N 2.93Å; S629-Q634 VanDerWaalsContact O-N 3.15Å
630E90.3Very high95.4Very high66 Ų6652 Ų5231%0.30830%0.296SS..THydrogen-bonded Turntrans-70.9-27.3-178.2-63.2-179-17000112.2T542 Y544 L559 R628 H633T542-E630 WeakPolarHBondContact CG2-OE1 3.2Å; Y544-E630 HydrophobicContact CD2-CB 4.35Å; Y544-E630 HydrophobicContact CD2-CG 4.2Å; Y544-E630 HydrophobicContact CE2-CB 4.33Å; L559-E630 HydrophobicContact CD2-CG 4.23Å; R628-E630 HydrophobicContact CG-CG 4.42Å; R628-E630 IonicContact CZ-OE1 3.55Å; R628-E630 IonicContact NE-OE1 2.92Å; R628-E630 PolarHBondContact NE-OE1 3.49Å; R628-E630 IonicContact NH2-OE1 3.27Å; R628-E630 PolarHBondContact NH2-OE1 2.84Å; E630-H633 PolarHBondContact O-CE1 3.34Å; E630-H633 PolarHBondContact O-ND1 3.1Å
631V88.4Confident95.4Very high129 Ų12951.2 Ų51.278%0.78229%0.293SS*.THydrogen-bonded Turntrans-79.5-38.4178.9-178.80000111.8S629S629-V631 VanDerWaalsContact C-N 3.29Å; S629-V631 PolarHBondContact O-N 3.23Å
632L90.4Very high95.2Very high109 Ų10951.5 Ų51.557%0.57130%0.297SS*.THydrogen-bonded Turntrans-91.5-4.9-179.4-60.4177.1000112.8S629 Q634S629-L632 PolarHBondContact OG-N 3.1Å; L632-Q634 VanDerWaalsContact C-N 3.25Å; L632-Q634 HydrophobicContact CB-CB 4.39Å; L632-Q634 HydrophobicContact CB-CG 3.97Å; L632-Q634 WeakPolarHBondContact O-CG 3.45Å; L632-Q634 PolarHBondContact O-N 2.82Å
633H93.5Very high95.1Very high73 Ų7353.6 Ų53.634%0.33831%0.312SS..THydrogen-bonded Turntrans54.739.6-174.4-62-52.3000113.4Y544 L559 S629 E630Y544-H633 AromaticContact CE1-CE1 3.46Å; Y544-H633 VanDerWaalsContact CE1-CE1 3.46Å; Y544-H633 WeakPolarHBondContact CE1-CE1 3.47Å; Y544-H633 AromaticContact CE1-ND1 3.65Å; Y544-H633 AromaticContact CZ-CE1 3.81Å; L559-H633 HydrophobicContact CB-CB 4.48Å; L559-H633 PolarHBondContact N-O 2.87Å; L559-H633 WeakPolarHBondContact O-CB 3.49Å; S629-H633 WeakPolarHBondContact O-CA 3.44Å; S629-H633 PolarHBondContact O-N 3.24Å; E630-H633 PolarHBondContact O-CE1 3.34Å; E630-H633 PolarHBondContact O-ND1 3.1Å
634Q93.8Very high95.1Very high90 Ų9055.4 Ų55.442%0.42131%0.306SS..EExtended strand (participates in β ladder)trans-110.2143.8-174.2-74.7176.3000112.6R628 S629 L632 F636R628-Q634 VanDerWaalsContact CA-O 3.27Å; R628-Q634 WeakPolarHBondContact CA-O 3.4Å; S629-Q634 PolarHBondContact N-O 2.92Å; S629-Q634 PolarHBondContact O-N 2.93Å; S629-Q634 VanDerWaalsContact O-N 3.15Å; L632-Q634 VanDerWaalsContact C-N 3.25Å; L632-Q634 HydrophobicContact CB-CB 4.39Å; L632-Q634 HydrophobicContact CB-CG 3.97Å; L632-Q634 WeakPolarHBondContact O-CG 3.45Å; L632-Q634 PolarHBondContact O-N 2.82Å; Q634-F636 HydrophobicContact CB-CD1 4.38Å
635V97Very high95.1Very high6 Ų656.9 Ų56.94%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-116.9128.5172.5-1790000108.8I546 V557 L559 V595 L626I546-V635 HydrophobicContact CD1-CG1 4.01Å; I546-V635 HydrophobicContact CG1-CG1 4.41Å; I546-V635 HydrophobicContact CG1-CG2 4.06Å; I546-V635 HydrophobicContact CG2-CG2 4.5Å; V557-V635 HydrophobicContact CG2-CB 4.35Å; V557-V635 HydrophobicContact CG2-CG1 4.29Å; L559-V635 HydrophobicContact CB-CG2 4.03Å; L559-V635 HydrophobicContact CD1-CG2 4.28Å; V595-V635 HydrophobicContact CB-CG1 4.42Å; V595-V635 HydrophobicContact CG2-CG1 4.18Å; L626-V635 HydrophobicContact CD1-CG1 3.77Å
636F97.1Very high95.1Very high50 Ų5058.6 Ų58.622%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-153.4174.2-177.658.3-87.1000111.1S593 D627 Q634S593-F636 CarbonylContact O-C 3.47Å; S593-F636 WeakPolarHBondContact O-CA 3.37Å; S593-F636 VanDerWaalsContact O-CB 3.29Å; S593-F636 WeakPolarHBondContact O-CB 3.48Å; D627-F636 HydrophobicContact CB-CD2 4.02Å; D627-F636 HydrophobicContact CB-CE2 3.67Å; D627-F636 HydrophobicContact CB-CZ 4.05Å; D627-F636 PolarHBondContact N-O 2.63Å; D627-F636 PolarHBondContact O-N 2.86Å; Q634-F636 HydrophobicContact CB-CD1 4.38Å
637I97.4Very high95Very high4 Ų458.7 Ų58.72%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-109.1135.4171.760.4171.5000111K588 S593 V595 W608 H619 K624 C625 L626K588-I637 HydrophobicContact CB-CD1 4.33Å; K588-I637 HydrophobicContact CD-CD1 3.8Å; K588-I637 HydrophobicContact CG-CD1 3.78Å; S593-I637 WeakPolarHBondContact O-CG1 3.26Å; S593-I637 PolarHBondContact O-N 2.92Å; V595-I637 HydrophobicContact CG2-CG2 4.24Å; W608-I637 HydrophobicContact CH2-CG2 3.62Å; W608-I637 HydrophobicContact CZ3-CG2 4.22Å; H619-I637 HydrophobicContact CB-CD1 4.34Å; H619-I637 HydrophobicContact CB-CG2 4.39Å; K624-I637 HydrophobicContact CB-CB 4.07Å; K624-I637 HydrophobicContact CB-CD1 4.32Å; K624-I637 HydrophobicContact CB-CG1 4.45Å; K624-I637 HydrophobicContact CD-CB 4.5Å; K624-I637 HydrophobicContact CD-CD1 4.12Å; K624-I637 HydrophobicContact CD-CG1 4.13Å; C625-I637 VanDerWaalsContact O-CA 3.3Å; C625-I637 WeakPolarHBondContact O-CA 3.42Å; L626-I637 HydrophobicContact CD1-CG2 4.35Å
638S96.7Very high95Very high20 Ų2062 Ų6214%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-138.2169.7179.281.40000111.5K624 C625 D627 C640 Q647K624-S638 CarbonylContact C-O 3.57Å; K624-S638 WeakPolarHBondContact CA-O 3.44Å; K624-S638 VanDerWaalsContact CB-O 3.23Å; K624-S638 WeakPolarHBondContact CB-O 3.17Å; C625-S638 PolarHBondContact N-O 3.01Å; C625-S638 PolarHBondContact O-N 2.73Å; D627-S638 PolarHBondContact OD2-OG 3.49Å; S638-C640 PolarHBondContact O-N 2.9Å; S638-Q647 PolarHBondContact OG-NE2 3.47Å
639N97.2Very high95.1Very high122 Ų12261.7 Ų61.765%0.65234%0.344SS*.EExtended strand (participates in β ladder)trans-59.3134.2179-69.3-12000110D641 Q647N639-D641 PolarHBondContact O-N 2.6Å; N639-Q647 PolarHBondContact O-NE2 2.89Å
640C96.5Very high95.2Very high57 Ų5762.2 Ų62.239%0.38534%0.343SS..  trans-62.5128-177-69.20000111.6G623 K624 C625 S638G623-C640 PolarHBondContact O-SG 3.4Å; G623-C640 VanDerWaalsContact O-SG 3.4Å; K624-C640 VanDerWaalsContact C-SG 3.57Å; C625-C640 HydrophobicContact CB-CB 4.04Å; C625-C640 WeakPolarHBondContact CB-SG 3.35Å; C625-C640 PolarHBondContact N-SG 3.13Å; C625-C640 VanDerWaalsContact SG-CA 3.59Å; C625-C640 WeakPolarHBondContact SG-CB 3.46Å; C625-C640 CovalentContact SG-SG 2.04Å; C625-C640 PolarHBondContact SG-SG 2.88Å; S638-C640 PolarHBondContact O-N 2.9Å
641D96.2Very high95.5Very high59 Ų5959.2 Ų59.232%0.31633%0.329SS..  trans-141.1112.8179-178-14.8000108.6N639 S643 K644 Q647N639-D641 PolarHBondContact O-N 2.6Å; D641-S643 VanDerWaalsContact CG-OG 3.22Å; D641-S643 PolarHBondContact O-N 3.31Å; D641-S643 VanDerWaalsContact OD1-CB 3.31Å; D641-S643 WeakPolarHBondContact OD1-CB 3.27Å; D641-S643 PolarHBondContact OD1-N 3.29Å; D641-S643 PolarHBondContact OD1-OG 3.17Å; D641-S643 PolarHBondContact OD2-OG 3.42Å; D641-K644 HydrophobicContact CB-CB 4.44Å; D641-K644 HydrophobicContact CB-CD 4.03Å; D641-K644 HydrophobicContact CB-CG 3.99Å; D641-K644 PolarHBondContact O-N 3.11Å; D641-Q647 PolarHBondContact O-OE1 3.44Å
642S91.6Very high95.8Very high102 Ų10255.6 Ų55.671%0.71331%0.305SS*.THydrogen-bonded Turntrans-66.1-17.5-178.249.30000114
643S93.3Very high96Very high91 Ų9153.9 Ų53.964%0.63630%0.297SS*.THydrogen-bonded Turntrans-78-23.5176.673.80000112.7D641 T645D641-S643 VanDerWaalsContact CG-OG 3.22Å; D641-S643 PolarHBondContact O-N 3.31Å; D641-S643 VanDerWaalsContact OD1-CB 3.31Å; D641-S643 WeakPolarHBondContact OD1-CB 3.27Å; D641-S643 PolarHBondContact OD1-N 3.29Å; D641-S643 PolarHBondContact OD1-OG 3.17Å; D641-S643 PolarHBondContact OD2-OG 3.42Å; S643-T645 PolarHBondContact O-N 3.08Å
644K95.3Very high95.6Very high86 Ų8651 Ų5137%0.37428%0.284SS..  trans-77.4114.3-178.4-71.5-174.2-179.5-178.20111.7D641 T646 Q647D641-K644 HydrophobicContact CB-CB 4.44Å; D641-K644 HydrophobicContact CB-CD 4.03Å; D641-K644 HydrophobicContact CB-CG 3.99Å; D641-K644 PolarHBondContact O-N 3.11Å; K644-T646 PolarHBondContact O-N 3.16Å; K644-Q647 HydrophobicContact CB-CB 4.44Å; K644-Q647 HydrophobicContact CB-CG 4.1Å; K644-Q647 HydrophobicContact CD-CG 4.46Å; K644-Q647 PolarHBondContact O-N 3.02Å
645T95.6Very high94.7Very high89 Ų8952 Ų5255%0.54629%0.288SS..G310 helixtrans-65.7-26.5171.152.30000112.4R628 S643 Q647 K648R628-T645 PolarHBondContact NH2-O 3.18Å; S643-T645 PolarHBondContact O-N 3.08Å; T645-Q647 PolarHBondContact O-N 2.95Å; T645-K648 WeakPolarHBondContact O-CB 3.34Å; T645-K648 PolarHBondContact O-N 2.73Å
646T97.1Very high93.1Very high36 Ų3654 Ų5422%0.22130%0.303CS..G310 helixtrans-66.5-19.6177.358.80000113.6D627 R628 K644D627-T646 WeakPolarHBondContact OD1-CB 3.23Å; D627-T646 PolarHBondContact OD1-OG1 3.05Å; R628-T646 HydrophobicContact CG-CG2 4.37Å; R628-T646 PolarHBondContact NH1-O 3.19Å; R628-T646 WeakPolarHBondContact O-CB 3.3Å; K644-T646 PolarHBondContact O-N 3.16Å
647Q97.8Very high90.8Very high3 Ų359.4 Ų59.41%0.01434%0.339CS..G310 helixtrans-91.31174-64.2-173.8-0.600113.7C625 L626 D627 S638 N639 D641 K644 T645 W649C625-Q647 HydrophobicContact CB-CB 4.44Å; C625-Q647 HydrophobicContact CB-CG 4.29Å; L626-Q647 WeakPolarHBondContact O-CA 3.5Å; D627-Q647 HydrophobicContact CB-CG 3.97Å; D627-Q647 PolarHBondContact OD2-NE2 2.62Å; S638-Q647 PolarHBondContact OG-NE2 3.47Å; N639-Q647 PolarHBondContact O-NE2 2.89Å; D641-Q647 PolarHBondContact O-OE1 3.44Å; K644-Q647 HydrophobicContact CB-CB 4.44Å; K644-Q647 HydrophobicContact CB-CG 4.1Å; K644-Q647 HydrophobicContact CD-CG 4.46Å; K644-Q647 PolarHBondContact O-N 3.02Å; T645-Q647 PolarHBondContact O-N 2.95Å; Q647-W649 VanDerWaalsContact O-CD1 3.32Å
648K98Very high90.5Very high74 Ų7462.2 Ų62.232%0.32236%0.355SS..  trans-95.3129.4176.9-63.3-177.3-177.8178.90110.8F540 H615 R628 T645F540-K648 HydrophobicContact CB-CB 3.47Å; F540-K648 VanDerWaalsContact CB-CB 3.47Å; F540-K648 WeakPolarHBondContact CB-O 3.44Å; F540-K648 HydrophobicContact CD1-CB 4.3Å; F540-K648 HydrophobicContact CD1-CD 4.18Å; F540-K648 HydrophobicContact CG-CB 4.01Å; F540-K648 PolarHBondContact N-O 2.79Å; H615-K648 HydrophobicContact CB-CB 4.05Å; H615-K648 HydrophobicContact CB-CG 4.45Å; H615-K648 CarbonylContact O-C 3.52Å; H615-K648 WeakPolarHBondContact O-CA 3.45Å; R628-K648 PolarHBondContact NH1-O 2.77Å; T645-K648 WeakPolarHBondContact O-CB 3.34Å; T645-K648 PolarHBondContact O-N 2.73Å
649W98.3Very high90.1Very high0 Ų064.4 Ų64.40%037%0.367CS..EExtended strand (participates in β ladder)trans-139144-174.6-57.892.6000112I537 R538 I546 L559 H615 F617 L626 R628 Q647I537-W649 HydrophobicContact CG2-CB 4.3Å; I537-W649 HydrophobicContact CG2-CD2 4.23Å; I537-W649 HydrophobicContact CG2-CE3 3.79Å; I537-W649 HydrophobicContact CG2-CG 4.47Å; I537-W649 HydrophobicContact CG2-CZ3 4.44Å; R538-W649 CarbonylContact O-C 3.55Å; R538-W649 VanDerWaalsContact O-CA 3.3Å; R538-W649 WeakPolarHBondContact O-CA 3.49Å; I546-W649 HydrophobicContact CD1-CE3 4.49Å; I546-W649 HydrophobicContact CD1-CH2 4.1Å; I546-W649 HydrophobicContact CD1-CZ3 4.07Å; I546-W649 HydrophobicContact CG1-CE3 4.48Å; I546-W649 HydrophobicContact CG1-CH2 3.94Å; I546-W649 HydrophobicContact CG1-CZ3 3.74Å; L559-W649 HydrophobicContact CD1-CH2 4.01Å; L559-W649 HydrophobicContact CD1-CZ3 4.13Å; H615-W649 CarbonylContact C-O 3.39Å; H615-W649 VanDerWaalsContact CA-O 3.22Å; H615-W649 WeakPolarHBondContact CA-O 3.39Å; H615-W649 VanDerWaalsContact CB-O 3.32Å; H615-W649 WeakPolarHBondContact CB-O 2.82Å; H615-W649 PolarHBondContact O-N 3.29Å; F617-W649 HydrophobicContact CD2-CB 3.82Å; F617-W649 HydrophobicContact CD2-CG 4.19Å; F617-W649 HydrophobicContact CE2-CB 3.99Å; L626-W649 HydrophobicContact CD2-CD2 4.41Å; L626-W649 HydrophobicContact CD2-CZ2 4.39Å; L626-W649 HydrophobicContact CG-CZ2 4.1Å; L626-W649 PolarHBondContact O-NE1 3.13Å; R628-W649 HydrophobicContact CB-CH2 3.66Å; R628-W649 HydrophobicContact CB-CZ2 3.71Å; R628-W649 HydrophobicContact CG-CH2 4Å; R628-W649 HydrophobicContact CG-CZ2 4Å; Q647-W649 VanDerWaalsContact O-CD1 3.32Å
650E97.3Very high89.7Confident40 Ų4061.2 Ų61.219%0.18735%0.351CS..EExtended strand (participates in β ladder)trans-112.9139.7172.8-60.1169-153.400109.1R538 F540 E541 N652R538-E650 PolarHBondContact N-O 3.18Å; R538-E650 PolarHBondContact O-N 3.11Å; F540-E650 WeakPolarHBondContact CA-OE1 3.46Å; F540-E650 HydrophobicContact CB-CG 4.42Å; F540-E650 HydrophobicContact CD2-CG 3.63Å; F540-E650 WeakPolarHBondContact CD2-OE1 3.21Å; F540-E650 HydrophobicContact CE2-CG 4.41Å; F540-E650 HydrophobicContact CG-CG 4.5Å; E541-E650 PolarHBondContact N-OE1 2.77Å; E650-N652 PolarHBondContact OE2-ND2 3Å; E650-N652 VanDerWaalsContact OE2-ND2 3.12Å
651M97.4Very high89.3Confident3 Ų361.5 Ų61.52%0.01535%0.349CS..EExtended strand (participates in β ladder)trans-107.6110.8169-154.9169.7-164.600108.4D533 E536 I537 F571 I573 Y610 F617D533-M651 HydrophobicContact CB-SD 3.89Å; E536-M651 WeakPolarHBondContact O-CA 2.9Å; I537-M651 HydrophobicContact CG1-CE 4.13Å; F571-M651 HydrophobicContact CB-CE 4.06Å; F571-M651 VanDerWaalsContact O-CE 3.22Å; F571-M651 WeakPolarHBondContact O-CE 3.49Å; I573-M651 HydrophobicContact CG2-CE 4.4Å; I573-M651 HydrophobicContact CG2-SD 3.79Å; Y610-M651 HydrophobicContact CE1-CB 3.79Å; Y610-M651 PolarHBondContact OH-N 3.36Å; F617-M651 HydrophobicContact CZ-SD 4.07Å
652N95.4Very high88.9Confident53 Ų5361.6 Ų61.628%0.28335%0.351SS..EExtended strand (participates in β ladder)trans-116.9121-171.5-66.9-39.4000110G535 E536 E650 I654G535-N652 CarbonylContact C-O 3.59Å; G535-N652 WeakPolarHBondContact CA-O 3.4Å; E536-N652 HydrophobicContact CG-CB 4.01Å; E536-N652 PolarHBondContact N-O 2.92Å; E536-N652 PolarHBondContact O-N 3.37Å; E536-N652 VanDerWaalsContact O-N 3.09Å; E650-N652 PolarHBondContact OE2-ND2 3Å; E650-N652 VanDerWaalsContact OE2-ND2 3.12Å; N652-I654 PolarHBondContact O-N 3.46Å
653N93.8Very high88.7Confident73 Ų7358.9 Ų58.939%0.3933%0.327SS..  trans-60.9130.4-178.9-50.9128.8000110.2D533 W534D533-N653 PolarHBondContact OD1-ND2 3.35Å; W534-N653 HydrophobicContact CD2-CB 4.43Å; W534-N653 HydrophobicContact CH2-CB 3.91Å; W534-N653 HydrophobicContact CZ2-CB 3.71Å; W534-N653 HydrophobicContact CZ3-CB 4.35Å; W534-N653 PolarHBondContact NE1-ND2 3.09Å; W534-N653 PolarHBondContact O-ND2 3.26Å
654I85.3Confident88.4Confident13 Ų1356.6 Ų56.67%0.06731%0.305CS..  trans-98.1109.5176.2-58.8175.3000107.4W534 E536 R564 L570 N652W534-I654 VanDerWaalsContact CH2-O 3.31Å; W534-I654 WeakPolarHBondContact CH2-O 3.2Å; W534-I654 WeakPolarHBondContact CZ3-O 3.44Å; E536-I654 HydrophobicContact CB-CD1 3.93Å; E536-I654 HydrophobicContact CB-CG1 4.38Å; E536-I654 HydrophobicContact CG-CD1 4.17Å; E536-I654 HydrophobicContact CG-CG1 4.12Å; R564-I654 VanDerWaalsContact O-CG2 3.31Å; R564-I654 WeakPolarHBondContact O-CG2 3.49Å; L570-I654 HydrophobicContact CD1-CB 4.29Å; L570-I654 HydrophobicContact CD1-CD1 4.08Å; L570-I654 HydrophobicContact CD1-CG1 4.41Å; N652-I654 PolarHBondContact O-N 3.46Å
655H75.3Confident87.9Confident111 Ų11154.4 Ų54.451%0.51430%0.299SS..  trans-92.8105.5175.3-68.3-155.7000107.3V657H655-V657 PolarHBondContact O-N 3.3Å
656S63.2Low87.2Confident49 Ų4951.5 Ų51.534%0.34328%0.279SS..  trans-69.498.8172.159.30000108.4
657V48.1Very low86.3Confident163 Ų16352.9 Ų52.999%0.98828%0.284SS*.  trans-81.80172.2-174.30000109.8H655H655-V657 PolarHBondContact O-N 3.3Å

Retrieved 657 of 657 residues in 3524.3 ms (Link to these results)