A0A087XX82_POEFO Loading...

Complement C1q like 4

AlphaFold DB , UniProt , Accession A0A087XX82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 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
1A43.1Very low49.3Very low163 Ų163134.2 Ų134.2100%1.34784%0.842SS**  0135.7000000108.4
2G42Very low50.2Low75 Ų75132 Ų13277%0.77382%0.82SS**  trans115.276.9165.100000115.4
3T42.4Very low50.8Low145 Ų145134.8 Ų134.889%0.8981%0.813SS**  trans-93.6125.7160.6-24.40000107.5
4T44.9Very low51.4Low136 Ų136133.9 Ų133.983%0.83480%0.801SS**  trans-114.2124.3177.6-22.30000109.3
5I49Very low52.3Low155 Ų155131.3 Ų131.380%0.79579%0.787SS**PPolyproline II helixtrans-96.8132.4-179.8-57.4173.6000108.5
6P47.5Very low52.9Low118 Ų118129.5 Ų129.577%0.76677%0.771SS**PPolyproline II helixtrans-87.4137.2174.332.5-29.8000112.2
7A55.7Low53.3Low110 Ų110124.4 Ų124.491%0.90975%0.747SS**PPolyproline II helixtrans-78.2119.3176.300000111
8K52.6Low53.7Low193 Ų193120.9 Ų120.984%0.83973%0.734SS**  trans-13470.6179.4-165.5-176.7-176-178.40110.3
9G55Low54Low58 Ų58116.8 Ų116.860%0.59871%0.711SS**  trans-148.3-13.4-174.400000118
10E55.1Low54.2Low164 Ų164120 Ų12077%0.76671%0.709SS**SBendtrans-96.1-33-169.4-145.7157.8137.500113.9
11E54.7Low54.4Low159 Ų159119.4 Ų119.474%0.74370%0.702SS**Hα-helixtrans-72.6-33-177.9-63.3-86136.700113.2T15E11-T15 PolarHBondContact O-OG1 3.42Å
12D59.9Low55Low108 Ų108115 Ų11558%0.57866%0.662SS**Hα-helixtrans-75.2-29.2-178.2-75.4-28.3000112.4L16D12-L16 PolarHBondContact O-N 3.3Å
13F58.3Low55.7Low168 Ų168119.4 Ų119.474%0.73766%0.655SS**Hα-helixtrans-75.4-39.8-176.4-145.7-91.9000112.2L16 A17F13-L16 PolarHBondContact O-N 3.42Å; F13-A17 WeakPolarHBondContact O-CB 3.43Å; F13-A17 PolarHBondContact O-N 3.36Å
14L59.6Low56.2Low122 Ų122119.8 Ų119.864%0.63964%0.644SS**Hα-helixtrans-66.8-38.8177.3-69.2173.4000111.7A17 A18L14-A17 PolarHBondContact O-N 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.42Å
15T64.7Low56.7Low96 Ų96120.8 Ų120.859%0.58964%0.637SS**Hα-helixtrans-67.5-40.5178.6-49.50000111.5E11 S19E11-T15 PolarHBondContact O-OG1 3.42Å; T15-S19 PolarHBondContact O-N 3.31Å
16L61.2Low57Low102 Ų102123.2 Ų123.253%0.53464%0.636SS.*Hα-helixtrans-65.6-41.7173.5-108.2123.3000112.4D12 F13 S19 R20D12-L16 PolarHBondContact O-N 3.3Å; F13-L16 PolarHBondContact O-N 3.42Å; L16-S19 PolarHBondContact O-N 3.38Å; L16-S19 PolarHBondContact O-OG 2.96Å; L16-R20 PolarHBondContact O-N 2.81Å
17A60.3Low57.5Low43 Ų43122.6 Ų122.636%0.35563%0.63SS.*Hα-helixtrans-64.1-43.8178.200000112.2F13 L14 S19 R20 L21F13-A17 WeakPolarHBondContact O-CB 3.43Å; F13-A17 PolarHBondContact O-N 3.36Å; L14-A17 PolarHBondContact O-N 3.28Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.39Å; A17-R20 PolarHBondContact O-N 2.8Å; A17-L21 WeakPolarHBondContact O-CD1 3.25Å; A17-L21 PolarHBondContact O-N 2.93Å
18A60.6Low57.6Low62 Ų62122.3 Ų122.351%0.51261%0.612SS.*Hα-helixtrans-61.6-40.3176.700000112.4L14 R20 L21 S22L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.42Å; A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 2.96Å; A18-L21 PolarHBondContact O-N 3.47Å; A18-S22 PolarHBondContact O-N 3.35Å
19S59.9Low57.9Low43 Ų43115.3 Ų115.330%0.30160%0.595SS.*Hα-helixtrans-66.8-30.1177.9850000113.4T15 L16 A17 R23T15-S19 PolarHBondContact O-N 3.31Å; L16-S19 PolarHBondContact O-N 3.38Å; L16-S19 PolarHBondContact O-OG 2.96Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.39Å; S19-R23 PolarHBondContact O-N 2.75Å; S19-R23 PolarHBondContact O-NE 2.71Å
20R58.2Low58.2Low180 Ų180115.4 Ų115.468%0.67959%0.59SS**Hα-helixtrans-77.9-38.4176.2-72.4-165.7179-131.33111.9L16 A17 A18 K24L16-R20 PolarHBondContact O-N 2.81Å; A17-R20 PolarHBondContact O-N 2.8Å; A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 2.96Å; R20-K24 PolarHBondContact O-N 3.11Å; R20-K24 VanDerWaalsContact O-N 3.08Å
21L57.1Low58.7Low108 Ų108109.7 Ų109.757%0.56558%0.575SS**Hα-helixtrans-65.8-40.3174.3-95102.8000112.8A17 A18 K24 K25A17-L21 WeakPolarHBondContact O-CD1 3.25Å; A17-L21 PolarHBondContact O-N 2.93Å; A18-L21 PolarHBondContact O-N 3.47Å; L21-K24 PolarHBondContact O-N 3.02Å; L21-K25 PolarHBondContact O-N 3.02Å
22S56.1Low59.5Low71 Ų71106.4 Ų106.450%0.49757%0.565SS.*Hα-helixtrans-62.3-45.6176.8169.20000112.3A18 K24 K25 R26A18-S22 PolarHBondContact O-N 3.35Å; S22-K24 VanDerWaalsContact C-N 3.35Å; S22-K24 PolarHBondContact O-N 2.69Å; S22-K25 PolarHBondContact O-N 3.17Å; S22-R26 PolarHBondContact O-N 2.79Å; S22-R26 VanDerWaalsContact O-N 3.07Å
23R57.1Low60.1Low167 Ų167103 Ų10363%0.6356%0.555SS**Hα-helixtrans-62-40.2174.3-89-179.4-89.5-149.9-3.7112.4S19 R26 V27S19-R23 PolarHBondContact O-N 2.75Å; S19-R23 PolarHBondContact O-NE 2.71Å; R23-R26 PolarHBondContact O-N 3.43Å; R23-V27 VanDerWaalsContact O-CG2 3.32Å; R23-V27 WeakPolarHBondContact O-CG2 3.13Å; R23-V27 PolarHBondContact O-N 2.82Å
24K53.6Low61.1Low153 Ų15399.2 Ų99.267%0.66555%0.546SS*.Hα-helixtrans-63.9-41.5176.9-130.8173.7-177.5-177.70112R20 L21 S22 V27 I28R20-K24 PolarHBondContact O-N 3.11Å; R20-K24 VanDerWaalsContact O-N 3.08Å; L21-K24 PolarHBondContact O-N 3.02Å; S22-K24 VanDerWaalsContact C-N 3.35Å; S22-K24 PolarHBondContact O-N 2.69Å; K24-V27 PolarHBondContact O-N 3.17Å; K24-I28 WeakPolarHBondContact O-CD1 3.15Å; K24-I28 WeakPolarHBondContact O-CG1 3.45Å; K24-I28 PolarHBondContact O-N 2.94Å
25K54Low62Low156 Ų15696 Ų9668%0.67854%0.537SS*.Hα-helixtrans-64-40.5175.5-74.6-178.1178.4-177.30112.8L21 S22 G29L21-K25 PolarHBondContact O-N 3.02Å; S22-K25 PolarHBondContact O-N 3.17Å; K25-G29 PolarHBondContact O-N 3.33Å
26R56.3Low62.8Low207 Ų20797.3 Ų97.378%0.78154%0.538SS*.Hα-helixtrans-66.1-40.5176.8-112178.2169.4179.2-3.5112.9S22 R23 A30S22-R26 PolarHBondContact O-N 2.79Å; S22-R26 VanDerWaalsContact O-N 3.07Å; R23-R26 PolarHBondContact O-N 3.43Å; R26-A30 WeakPolarHBondContact O-CB 3.36Å; R26-A30 PolarHBondContact O-N 3.44Å
27V58.2Low63.9Low104 Ų10496.4 Ų96.463%0.6354%0.536SS*.Hα-helixtrans-69.5-38.5177.9174.10000111.6R23 K24 G31R23-V27 VanDerWaalsContact O-CG2 3.32Å; R23-V27 WeakPolarHBondContact O-CG2 3.13Å; R23-V27 PolarHBondContact O-N 2.82Å; K24-V27 PolarHBondContact O-N 3.17Å; V27-G31 PolarHBondContact O-N 2.88Å
28I57.3Low65.2Low105 Ų10599.2 Ų99.254%0.53855%0.545SS..Hα-helixtrans-68.3-42.7176.4-64.4164.2000110.8K24 A30 G31 V32K24-I28 WeakPolarHBondContact O-CD1 3.15Å; K24-I28 WeakPolarHBondContact O-CG1 3.45Å; K24-I28 PolarHBondContact O-N 2.94Å; I28-A30 PolarHBondContact O-N 3.46Å; I28-G31 PolarHBondContact O-N 3.04Å; I28-V32 HydrophobicContact CG2-CG2 4.49Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.9Å
29G58.7Low66.6Low46 Ų46100.7 Ų100.747%0.47455%0.547SS..Hα-helixtrans-62.8-40.1176.300000113.5K25 G33K25-G29 PolarHBondContact O-N 3.33Å; G29-G33 PolarHBondContact O-N 2.77Å; G29-G33 VanDerWaalsContact O-N 3.12Å
30A60.6Low67.8Low60 Ų60103 Ų10350%0.49656%0.556SS.*Hα-helixtrans-66.8-40.4174.500000112.2R26 I28 G33 V34R26-A30 WeakPolarHBondContact O-CB 3.36Å; R26-A30 PolarHBondContact O-N 3.44Å; I28-A30 PolarHBondContact O-N 3.46Å; A30-G33 PolarHBondContact O-N 3.42Å; A30-V34 VanDerWaalsContact O-CG2 3.31Å; A30-V34 WeakPolarHBondContact O-CG2 3.38Å; A30-V34 PolarHBondContact O-N 2.86Å
31G65.8Low69.3Low43 Ų43100 Ų10044%0.44355%0.552SS.*Hα-helixtrans-63.9-40.717700000113.4V27 I28 A35V27-G31 PolarHBondContact O-N 2.88Å; I28-G31 PolarHBondContact O-N 3.04Å; G31-A35 WeakPolarHBondContact O-CB 3.49Å; G31-A35 PolarHBondContact O-N 2.63Å
32V72.1Confident70.7Confident90 Ų9099.3 Ų99.355%0.54555%0.553SS.*Hα-helixtrans-68.8-39.7177.2175.80000111.4I28 A35 M36I28-V32 HydrophobicContact CG2-CG2 4.49Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.9Å; V32-A35 PolarHBondContact O-N 2.89Å; V32-M36 WeakPolarHBondContact O-CB 3.31Å; V32-M36 PolarHBondContact O-N 3.19Å
33G72.8Confident71.8Confident36 Ų3697.6 Ų97.637%0.37154%0.543SS..Hα-helixtrans-63.2-45.917600000112.8G29 A30 M36 V37G29-G33 PolarHBondContact O-N 2.77Å; G29-G33 VanDerWaalsContact O-N 3.12Å; A30-G33 PolarHBondContact O-N 3.42Å; G33-M36 PolarHBondContact O-N 3.23Å; G33-V37 WeakPolarHBondContact O-CG2 3.35Å; G33-V37 PolarHBondContact O-N 2.92Å
34V79.6Confident72.9Confident90 Ų9094.3 Ų94.355%0.54554%0.537SS..Hα-helixtrans-65.3-40.5177.5174.60000111.3A30 V37 L38A30-V34 VanDerWaalsContact O-CG2 3.31Å; A30-V34 WeakPolarHBondContact O-CG2 3.38Å; A30-V34 PolarHBondContact O-N 2.86Å; V34-V37 PolarHBondContact O-N 3.25Å; V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 3.34Å
35A77.9Confident74Confident53 Ų5389.9 Ų89.944%0.43852%0.524SS..Hα-helixtrans-63.5-41.817600000112.4G31 V32 L38 V39G31-A35 WeakPolarHBondContact O-CB 3.49Å; G31-A35 PolarHBondContact O-N 2.63Å; V32-A35 PolarHBondContact O-N 2.89Å; A35-L38 PolarHBondContact O-N 3.42Å; A35-V39 VanDerWaalsContact O-CG2 3.25Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.32Å
36M82.1Confident75Confident125 Ų12587.5 Ų87.562%0.61652%0.518SS*.Hα-helixtrans-62.3-43.9175.3-94.3-101.3147.500112.5V32 G33 V39 L40V32-M36 WeakPolarHBondContact O-CB 3.31Å; V32-M36 PolarHBondContact O-N 3.19Å; G33-M36 PolarHBondContact O-N 3.23Å; M36-V39 PolarHBondContact O-N 3.21Å; M36-L40 WeakPolarHBondContact O-CG 3.41Å; M36-L40 PolarHBondContact O-N 2.85Å
37V84.4Confident75.7Confident83 Ų8383 Ų8350%0.50351%0.509SS..Hα-helixtrans-64-42.9177.2173.50000111.1G33 V34 V39 L40 L41G33-V37 WeakPolarHBondContact O-CG2 3.35Å; G33-V37 PolarHBondContact O-N 2.92Å; V34-V37 PolarHBondContact O-N 3.25Å; V37-V39 PolarHBondContact O-N 2.83Å; V37-L40 PolarHBondContact O-N 3.34Å; V37-L41 HydrophobicContact CG1-CD1 4.01Å; V37-L41 HydrophobicContact CG1-CG 4.34Å; V37-L41 WeakPolarHBondContact O-CB 3.26Å; V37-L41 VanDerWaalsContact O-CG 3.31Å; V37-L41 WeakPolarHBondContact O-CG 3.43Å; V37-L41 PolarHBondContact O-N 3.22Å
38L87.8Confident76.3Confident102 Ų10281.9 Ų81.953%0.53450%0.502SS..Hα-helixtrans-64.4-39.1176.6-71.6173.1000112.3V34 A35 L41 V42V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 3.34Å; A35-L38 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 2.98Å; L38-V42 WeakPolarHBondContact O-CG2 3.1Å; L38-V42 PolarHBondContact O-N 2.61Å
39V89.6Confident76.5Confident93 Ų9383.4 Ų83.456%0.56451%0.506SS*.Hα-helixtrans-63.2-43.7174.4169.70000110.9A35 M36 V37 V42 A43A35-V39 VanDerWaalsContact O-CG2 3.25Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.32Å; M36-V39 PolarHBondContact O-N 3.21Å; V37-V39 PolarHBondContact O-N 2.83Å; V39-V42 PolarHBondContact O-N 3.45Å; V39-A43 WeakPolarHBondContact O-CB 3.42Å; V39-A43 PolarHBondContact O-N 2.83Å
40L85.4Confident76.3Confident92 Ų9286 Ų8648%0.48251%0.513SS..Hα-helixtrans-66.1-40.5178.1-70.7172.1000112.4M36 V37 V42 A43 I44M36-L40 WeakPolarHBondContact O-CG 3.41Å; M36-L40 PolarHBondContact O-N 2.85Å; V37-L40 PolarHBondContact O-N 3.34Å; L40-V42 PolarHBondContact O-N 2.81Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-I44 HydrophobicContact CB-CD1 4.21Å; L40-I44 WeakPolarHBondContact O-CB 3.43Å; L40-I44 WeakPolarHBondContact O-CD1 3.22Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 3.25Å
41L88.4Confident75.9Confident115 Ų11588.4 Ų88.460%0.60252%0.522SS*.Hα-helixtrans-64.1-25.2177.1-74175.2000113.3V37 L38 P45V37-L41 HydrophobicContact CG1-CD1 4.01Å; V37-L41 HydrophobicContact CG1-CG 4.34Å; V37-L41 WeakPolarHBondContact O-CB 3.26Å; V37-L41 VanDerWaalsContact O-CG 3.31Å; V37-L41 WeakPolarHBondContact O-CG 3.43Å; V37-L41 PolarHBondContact O-N 3.22Å; L38-L41 PolarHBondContact O-N 2.98Å; L41-P45 WeakPolarHBondContact O-CD 3.4Å; L41-P45 WeakPolarHBondContact O-CG 3.36Å
42V86.9Confident75.2Confident94 Ų9495 Ų9557%0.5754%0.539SS*.Hα-helixtrans-93.3-39.81761780000111.7L38 V39 L40 L46L38-V42 WeakPolarHBondContact O-CG2 3.1Å; L38-V42 PolarHBondContact O-N 2.61Å; V39-V42 PolarHBondContact O-N 3.45Å; L40-V42 PolarHBondContact O-N 2.81Å; V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 WeakPolarHBondContact O-CD1 3.45Å; V42-L46 WeakPolarHBondContact O-CG 3.32Å; V42-L46 PolarHBondContact O-N 2.92Å
43A79.2Confident74Confident36 Ų3694 Ų9430%0.29855%0.546SS..Hα-helixtrans-71-38.9-176.800000113.1V39 L40 L46 L47V39-A43 WeakPolarHBondContact O-CB 3.42Å; V39-A43 PolarHBondContact O-N 2.83Å; L40-A43 PolarHBondContact O-N 3.01Å; A43-L46 PolarHBondContact O-N 2.85Å; A43-L47 WeakPolarHBondContact O-CB 3.29Å; A43-L47 PolarHBondContact O-N 3.29Å
44I79.6Confident72.7Confident97 Ų9797.1 Ų97.150%0.49757%0.569SS.*Hα-helixtrans-65.2-48.7-177.6-65.3167000111.5L40 L46 L47 V48L40-I44 HydrophobicContact CB-CD1 4.21Å; L40-I44 WeakPolarHBondContact O-CB 3.43Å; L40-I44 WeakPolarHBondContact O-CD1 3.22Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 3.25Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 3.09Å; I44-L47 PolarHBondContact O-N 3.21Å; I44-V48 HydrophobicContact CG2-CG2 4.45Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.26Å; I44-V48 PolarHBondContact O-N 3.46Å
45P77.9Confident70.8Confident61 Ų6196.6 Ų96.640%0.39658%0.581SS.*Hα-helixtrans-61.6-37174.8-24.635.2000113.3L41 V48 H49L41-P45 WeakPolarHBondContact O-CD 3.4Å; L41-P45 WeakPolarHBondContact O-CG 3.36Å; P45-V48 PolarHBondContact O-N 3.47Å; P45-H49 WeakPolarHBondContact O-CB 3.33Å; P45-H49 PolarHBondContact O-N 2.94Å
46L75.1Confident69Low105 Ų105100.6 Ų100.655%0.5561%0.606SS.*Hα-helixtrans-64.1-42.7176-77.1168.8000111.7V42 A43 I44 H49 T50V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 WeakPolarHBondContact O-CD1 3.45Å; V42-L46 WeakPolarHBondContact O-CG 3.32Å; V42-L46 PolarHBondContact O-N 2.92Å; A43-L46 PolarHBondContact O-N 2.85Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 3.09Å; L46-H49 PolarHBondContact O-N 2.86Å; L46-T50 VanDerWaalsContact O-CG2 3.22Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 2.95Å; L46-T50 PolarHBondContact O-OG1 2.83Å
47L70.5Confident66.9Low114 Ų11498.1 Ų98.160%0.59761%0.613SS**Hα-helixtrans-64.7-36.2174.3-87.8152.8000112.9A43 I44 T50 T51A43-L47 WeakPolarHBondContact O-CB 3.29Å; A43-L47 PolarHBondContact O-N 3.29Å; I44-L47 PolarHBondContact O-N 3.21Å; L47-T50 PolarHBondContact O-OG1 3.32Å; L47-T50 VanDerWaalsContact O-OG1 3.1Å; L47-T51 WeakPolarHBondContact O-CG2 3.22Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 3.11Å
48V71.7Confident64.7Low80 Ų8098.2 Ų98.249%0.48563%0.63SS.*Hα-helixtrans-72.5-30176173.90000111.8I44 P45 T51I44-V48 HydrophobicContact CG2-CG2 4.45Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.26Å; I44-V48 PolarHBondContact O-N 3.46Å; P45-V48 PolarHBondContact O-N 3.47Å; V48-T51 PolarHBondContact O-OG1 2.84Å
49H60.3Low62.5Low136 Ų13697.2 Ų97.263%0.6365%0.645SS**Hα-helixtrans-82.5-31.7176.4-71.5174.9000113.2P45 L46 T51 K52P45-H49 WeakPolarHBondContact O-CB 3.33Å; P45-H49 PolarHBondContact O-N 2.94Å; L46-H49 PolarHBondContact O-N 2.86Å; H49-T51 VanDerWaalsContact C-N 3.29Å; H49-T51 PolarHBondContact O-N 3.16Å; H49-K52 PolarHBondContact O-N 2.84Å
50T54.9Low60.3Low100 Ų10096.5 Ų96.561%0.61366%0.656SS**Hα-helixtrans-69.6-27.1176.356.10000112.6L46 L47 K52 G53L46-T50 VanDerWaalsContact O-CG2 3.22Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 2.95Å; L46-T50 PolarHBondContact O-OG1 2.83Å; L47-T50 PolarHBondContact O-OG1 3.32Å; L47-T50 VanDerWaalsContact O-OG1 3.1Å; T50-K52 VanDerWaalsContact C-N 3.26Å; T50-K52 PolarHBondContact O-N 2.61Å; T50-G53 PolarHBondContact O-N 3.23Å
51T52.9Low58Low112 Ų11298.2 Ų98.269%0.68767%0.671SS**THydrogen-bonded Turntrans-74.7-11.6174.450.80000113.9L47 V48 H49L47-T51 WeakPolarHBondContact O-CG2 3.22Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 3.11Å; V48-T51 PolarHBondContact O-OG1 2.84Å; H49-T51 VanDerWaalsContact C-N 3.29Å; H49-T51 PolarHBondContact O-N 3.16Å
52K50.5Low55.4Low181 Ų18199.6 Ų99.679%0.78767%0.674SS**THydrogen-bonded Turntrans-91.14.7175.1-97.5-179.8174.2174.30114.5H49 T50H49-K52 PolarHBondContact O-N 2.84Å; T50-K52 VanDerWaalsContact C-N 3.26Å; T50-K52 PolarHBondContact O-N 2.61Å
53G45.9Very low53Low69 Ų69105.1 Ų105.171%0.71169%0.686SS**SBendtrans-92.114.7-174.200000117T50T50-G53 PolarHBondContact O-N 3.23Å
54A47.4Very low51.2Low102 Ų102109.7 Ų109.784%0.84370%0.701SS**SBendtrans-144.589.7175.600000110.9
55G38.8Very low49.5Very low78 Ų78114 Ų11480%0.80472%0.721SS**  trans161.474.8175.400000113.4
56S40.4Very low48.1Very low137 Ų137118.6 Ų118.696%0.95874%0.742SS**  trans-65.3131.6162173.30000110
57G37.8Very low46.6Very low74 Ų74116.8 Ų116.876%0.76375%0.749SS**  trans152.4118.1168.800000112.4
58G38.4Very low45.6Very low84 Ų84116.8 Ų116.887%0.86676%0.758SS**  trans-79.9170.3-167.300000116.4
59G40.1Very low44.3Very low81 Ų81119.7 Ų119.784%0.83578%0.78SS**SBendtrans95.8100.9152.900000116.6
60G43.6Very low43.6Very low78 Ų78122.3 Ų122.380%0.80479%0.79SS**  trans47.195.1146.500000118.9H62G60-H62 PolarHBondContact O-N 3.08Å; G60-H62 VanDerWaalsContact O-N 3.17Å
61T37.2Very low43.4Very low128 Ų128125.8 Ų125.879%0.78580%0.801SS**  trans-8393.4165.653.40000110.3Y63T61-Y63 PolarHBondContact O-N 2.83Å
62H35.2Very low42.9Very low144 Ų144126 Ų12667%0.66780%0.802SS**  trans-60.9115.4151.9-174-111.3000108G60 E64G60-H62 PolarHBondContact O-N 3.08Å; G60-H62 VanDerWaalsContact O-N 3.17Å; H62-E64 IonicContact CE1-OE1 3.29Å; H62-E64 PolarHBondContact CE1-OE1 2.69Å; H62-E64 VanDerWaalsContact CE1-OE1 3.29Å; H62-E64 IonicContact ND1-OE1 3.61Å; H62-E64 PolarHBondContact O-N 3.11Å
63Y36.7Very low42.5Very low210 Ų210122.6 Ų122.682%0.82480%0.8SS**  trans-81.490.8168.812-92.3000107.4T61 M65T61-Y63 PolarHBondContact O-N 2.83Å; Y63-M65 PolarHBondContact O-N 3.16Å
64E40.3Very low42Very low132 Ų132126.3 Ų126.362%0.61780%0.803SS**  trans-80.7112.4172.9-143.3163.3-135.100108.2H62 L66H62-E64 IonicContact CE1-OE1 3.29Å; H62-E64 PolarHBondContact CE1-OE1 2.69Å; H62-E64 VanDerWaalsContact CE1-OE1 3.29Å; H62-E64 IonicContact ND1-OE1 3.61Å; H62-E64 PolarHBondContact O-N 3.11Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.4Å
65M44.5Very low41.5Very low188 Ų188128 Ų12893%0.92680%0.803SS**  trans-65.987.5171.8-69.5-90.9-80.300108.8Y63 G67Y63-M65 PolarHBondContact O-N 3.16Å; M65-G67 VanDerWaalsContact C-N 3.33Å; M65-G67 PolarHBondContact O-N 3.06Å
66L48.9Very low41.6Very low158 Ų158132.5 Ų132.583%0.82781%0.808SS**  trans-81.384.6172-78.1166.4000109.9E64E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.4Å
67G42.4Very low41.4Very low67 Ų67131.5 Ų131.569%0.69180%0.801SS**  trans-15265.7168.500000110M65 C69M65-G67 VanDerWaalsContact C-N 3.33Å; M65-G67 PolarHBondContact O-N 3.06Å; G67-C69 PolarHBondContact O-N 2.84Å; G67-C69 VanDerWaalsContact O-N 3.14Å
68S49Very low41.6Very low114 Ų114134 Ų13480%0.79780%0.804SS**  trans-72.3102.2169.934.30000109.1K70S68-K70 PolarHBondContact O-N 3.04Å; S68-K70 VanDerWaalsContact O-N 3.13Å
69C44.7Very low41.8Very low141 Ų141135.8 Ų135.895%0.95380%0.8SS**  trans-62.1111.7169.4-113.90000108.9G67G67-C69 PolarHBondContact O-N 2.84Å; G67-C69 VanDerWaalsContact O-N 3.14Å
70K47Very low41.6Very low191 Ų191141.6 Ų141.683%0.8381%0.806SS**  trans-112.5116.3173.1-156.4178.4-175.7-177.90108.5S68 V72S68-K70 PolarHBondContact O-N 3.04Å; S68-K70 VanDerWaalsContact O-N 3.13Å; K70-V72 PolarHBondContact O-N 2.74Å
71M49.1Very low41.2Very low172 Ų172141.5 Ų141.585%0.84781%0.805SS**  trans-63.1116170.8-66.6-72.9-75.900108.3C73M71-C73 PolarHBondContact O-N 3.26Å
72V44Very low41Very low118 Ų118143.8 Ų143.872%0.71581%0.807SS**  trans-83.8101170.4-178.80000107.1K70K70-V72 PolarHBondContact O-N 2.74Å
73C41.5Very low41.1Very low109 Ų109143.6 Ų143.674%0.73681%0.81SS**  trans-107.8101.1159.8-66.50000107.1M71 T75M71-C73 PolarHBondContact O-N 3.26Å; C73-T75 PolarHBondContact O-N 3.35Å
74D36Very low40.9Very low146 Ų146140.2 Ų140.278%0.78181%0.812SS**  trans-66.4119.3168.9-74.7-32.3000109.5
75T36.8Very low40.7Very low137 Ų137138.9 Ų138.984%0.8482%0.823SS**  trans-133.7115.814841.30000108.8C73 S77C73-T75 PolarHBondContact O-N 3.35Å; T75-S77 PolarHBondContact O-N 3.22Å
76L40.5Very low40.3Very low173 Ų173136.6 Ų136.691%0.90682%0.819SS**  trans-60.9120.9169.7-77.3140.5000110.2
77S35.5Very low39.6Very low117 Ų117134.3 Ų134.382%0.81882%0.817SS**  trans-162.4137.8150.7-77.70000110.6T75T75-S77 PolarHBondContact O-N 3.22Å
78P41.5Very low39.5Very low125 Ų125136.6 Ų136.681%0.81282%0.819SS**  trans-88.4172.1-168.237-36.1000113.9
79P43.8Very low39.1Very low123 Ų123140.3 Ų140.380%0.79982%0.824SS**  trans-96.5135.6-157.836.2-30.7000113.7
80Q35Very low39Very low202 Ų202139.1 Ų139.194%0.94482%0.815SS**  trans-155.3135.8159.5-62.9-173.4-14.100106.2
81G36Very low38.9Very low77 Ų77135.7 Ų135.779%0.79481%0.812SS**  cis-178.2147-0.900000105
82E31.9Very low38.3Very low176 Ų176135.4 Ų135.482%0.82281%0.814SS**  trans-75.1143.9179-120.1-176129.800112.3
83L38.3Very low38.1Very low139 Ų139139.4 Ų139.473%0.72882%0.822SS**  trans69.1125150.1-58.4164.1000119.7
84T32.4Very low38.2Very low140 Ų140140.2 Ų140.286%0.85983%0.826SS**  -168.6131.3109.525.50000111.1
85A35.8Very low38.2Very low104 Ų104141.3 Ų141.386%0.8683%0.832SS**  trans-84.8134.9167.500000109.4
86V36Very low38.6Very low140 Ų140146.2 Ų146.285%0.84884%0.835SS**  trans-94.1133.8176.9172.30000109.5
87S35.1Very low38.8Very low110 Ų110150.1 Ų150.177%0.76984%0.837SS**  trans-134.1138.7162.3-163.60000109.7
88P40.4Very low39.1Very low115 Ų115148.1 Ų148.175%0.74784%0.835SS**PPolyproline II helixtrans-94147.2-172.931.6-26.2000114.1
89Q40.3Very low39.6Very low191 Ų191152.4 Ų152.489%0.89384%0.841SS**PPolyproline II helixtrans-94.3148.8170.6-73.2-171.5-24.900112.4
90P42.6Very low39.9Very low117 Ų117156 Ų15676%0.7685%0.847SS**PPolyproline II helixtrans-90.9160.5172.235.6-32.2000113.1
91P43.5Very low40.9Very low118 Ų118149.6 Ų149.677%0.76684%0.835SS**PPolyproline II helixtrans-94.3147.7-170.834.7-31.4000115
92D36.6Very low42Very low166 Ų166156.8 Ų156.889%0.88885%0.845SS**PPolyproline II helixtrans-77.8142.5175.3-75.2-45.6000113.7
93F40.4Very low43.6Very low203 Ų203160 Ų16089%0.8985%0.85SS**PPolyproline II helixtrans-96.1132.9170.4-73.7-86000111.5
94P43.7Very low44.8Very low126 Ų126156.5 Ų156.582%0.81885%0.847SS**PPolyproline II helixtrans-100.6153.2170.632.7-24.9000114.3
95N35.2Very low46.4Very low169 Ų169155.2 Ų155.290%0.90484%0.844SS**PPolyproline II helixtrans-72.8152.8-174.7-136.2-17.3000113.5
96R45.9Very low48.2Very low240 Ų240156.1 Ų156.191%0.90684%0.841SS**PPolyproline II helixtrans-80.5142.3177.6-68.8-169.5-170.5-142.25.4113.1
97R43.8Very low49.5Very low254 Ų254152.7 Ų152.796%0.95883%0.834SS**  trans-158.9126.8134.7-105174.7-156.8-166.15.3110.6
98G43Very low51.4Low75 Ų75155.4 Ų155.477%0.77384%0.839SS**  trans-90.8-174174.300000112.4
99K51.3Low53.3Low215 Ų215155.8 Ų155.894%0.93584%0.842SS**  cis-145.6135.8-0.9-72.6177.5174.91770106.3
100Q51.2Low54.8Low199 Ų199149.6 Ų149.693%0.9383%0.828SS**  trans-115.1140.8163.7-159.1171.515.100108.5
101G55.8Low56.5Low67 Ų67149.8 Ų149.869%0.69183%0.83SS**  trans-58.6163.2-161.400000116.6R103G101-R103 PolarHBondContact O-N 3.48Å
102F59.8Low58.3Low229 Ų229150.2 Ų150.2100%1.00483%0.833SS**  trans-59.7102.6-177.8-67-81000111.4
103R64.9Low60.2Low243 Ų243145.3 Ų145.392%0.91782%0.821SS**PPolyproline II helixtrans-76130.4165.1-151.5176.5-161.7-178.14.2107.3G101G101-R103 PolarHBondContact O-N 3.48Å
104G62.4Low62.1Low65 Ų65141.9 Ų141.967%0.6782%0.819SS**PPolyproline II helixtrans-51.4147.1179.300000111.8
105S66.7Low64Low113 Ų113145.7 Ų145.779%0.7982%0.823SS**PPolyproline II helixtrans-51.2125.2-179.148.60000110G107S105-G107 PolarHBondContact O-N 3.18Å
106P73.1Confident66Low124 Ų124140 Ų14081%0.80580%0.804SS**PPolyproline II helixtrans-51.3135.8173.2-26.134.4000110
107G64.4Low67.9Low68 Ų68134.2 Ų134.270%0.70180%0.798SS**PPolyproline II helixtrans-55.1150.1175.200000110.7S105S105-G107 PolarHBondContact O-N 3.18Å
108L74.8Confident69.8Low167 Ų167128.2 Ų128.287%0.87479%0.791SS**PPolyproline II helixtrans-50.2131.2179.5-70.2169.5000109.7G110L108-G110 PolarHBondContact O-N 3.24Å
109P79.6Confident71.5Confident123 Ų123128 Ų12880%0.79979%0.789SS**PPolyproline II helixtrans-51132.4174.2-26.334.1000109.8
110G71.8Confident73.1Confident60 Ų60126.6 Ų126.662%0.61979%0.786SS**PPolyproline II helixtrans-56.3151.6174.700000110.4L108L108-G110 PolarHBondContact O-N 3.24Å
111P78Confident74.8Confident121 Ų121123.1 Ų123.179%0.78678%0.781SS**PPolyproline II helixtrans-54.9142176.723.6-32.6000109.9G113P111-G113 PolarHBondContact O-N 3.03Å
112P82.6Confident75.9Confident128 Ų128123.2 Ų123.283%0.83178%0.782SS**PPolyproline II helixtrans-50.8133.6174.7-26.434.1000110.4
113G75.8Confident77.2Confident62 Ų62121.9 Ų121.964%0.63978%0.775SS**PPolyproline II helixtrans-57.1154.117700000111.2P111 K115P111-G113 PolarHBondContact O-N 3.03Å; G113-K115 PolarHBondContact O-N 3.15Å
114P81.2Confident78.3Confident131 Ų131116.3 Ų116.385%0.85177%0.771SS**PPolyproline II helixtrans-56.8139.8177.424.9-33.1000110.1G116P114-G116 PolarHBondContact O-N 3.03Å
115K82.6Confident79Confident206 Ų206116.1 Ų116.190%0.89677%0.769SS**PPolyproline II helixtrans-56.1130.4174.8-172.5178.3178.7179.50108.6G113G113-K115 PolarHBondContact O-N 3.15Å
116G77.8Confident79.9Confident49 Ų49116.4 Ų116.451%0.50577%0.768SS.*PPolyproline II helixtrans-57.9157.1176.500000111.9P114P114-G116 PolarHBondContact O-N 3.03Å
117P84.8Confident80.5Confident120 Ų120116.6 Ų116.678%0.77977%0.769SS**PPolyproline II helixtrans-58.6149.117825.4-33.2000110.7G119P117-G119 PolarHBondContact O-N 2.79Å
118P84.9Confident80.9Confident127 Ų127116.2 Ų116.283%0.82577%0.765SS**PPolyproline II helixtrans-51.1137171.1-24.534000110.7
119G78.4Confident81.1Confident71 Ų71114.5 Ų114.573%0.73276%0.764SS**PPolyproline II helixtrans-60.5150.4176.100000111.2P117P117-G119 PolarHBondContact O-N 2.79Å
120E84.9Confident81Confident186 Ų186118 Ų11887%0.86977%0.77SS**PPolyproline II helixtrans-59.7142.6178.1-66-171.9161.800110.8G122E120-G122 PolarHBondContact O-N 2.93Å
121P87.1Confident80.6Confident125 Ų125117.5 Ų117.581%0.81277%0.765SS**PPolyproline II helixtrans-52.1137.7173.7-25.934.5000111.4
122G78.9Confident80.1Confident69 Ų69117.2 Ų117.271%0.71176%0.763SS**PPolyproline II helixtrans-57.9148.5174.800000111.3E120E120-G122 PolarHBondContact O-N 2.93Å
123K86.8Confident79.3Confident201 Ų201113.2 Ų113.287%0.87475%0.745SS**PPolyproline II helixtrans-57.4143.8176.3-65.2-177.6-178.2-179.90109.9G125K123-G125 PolarHBondContact O-N 2.98Å
124P87.9Confident78.4Confident126 Ų126117.7 Ų117.782%0.81876%0.763SS**PPolyproline II helixtrans-50.9141.6172.8-26.434.5000111.2
125G76.8Confident77.2Confident62 Ų62114.9 Ų114.964%0.63976%0.758SS**PPolyproline II helixtrans-59.9158173.800000111.4K123K123-G125 PolarHBondContact O-N 2.98Å
126P85.4Confident75.5Confident119 Ų119107.1 Ų107.177%0.77374%0.736SS**PPolyproline II helixtrans-56.9147.9174.225.7-33.2000110.2G128P126-G128 PolarHBondContact O-N 2.96Å
127P85.7Confident74.4Confident127 Ų127115.6 Ų115.683%0.82575%0.754SS**PPolyproline II helixtrans-50.8137171.9-25.534.3000110.6
128G73.3Confident72.9Confident60 Ų60112.8 Ų112.862%0.61975%0.747SS**PPolyproline II helixtrans-58.4158.2173.500000111.1P126 Q130P126-G128 PolarHBondContact O-N 2.96Å; G128-Q130 PolarHBondContact O-N 2.93Å
129P78.1Confident71.3Confident131 Ų131111.7 Ų111.785%0.85174%0.743SS**PPolyproline II helixtrans-52.5139.1175.221.9-31.5000109.9G131P129-G131 PolarHBondContact O-N 2.98Å; P129-G131 VanDerWaalsContact O-N 3.11Å
130Q78.8Confident70.3Confident196 Ų196113.3 Ų113.392%0.91674%0.743SS**PPolyproline II helixtrans-56.9121.3178.2-168.1170.932.200108.4G128G128-Q130 PolarHBondContact O-N 2.93Å
131G63.7Low69.3Low50 Ų50110.2 Ų110.252%0.51574%0.736SS.*PPolyproline II helixtrans-57.5157.6174.100000110.5P129 G133P129-G131 PolarHBondContact O-N 2.98Å; P129-G131 VanDerWaalsContact O-N 3.11Å; G131-G133 PolarHBondContact O-N 3.29Å
132P66.9Low68.6Low116 Ų116113.4 Ų113.475%0.75373%0.733SS**PPolyproline II helixtrans-52117.3175.5-1929.6000108.1
133G65Low68.9Low44 Ų44114.7 Ų114.745%0.45473%0.728SS.*  trans-62.2-177.8-177.300000112.1G131 G135 G136G131-G133 PolarHBondContact O-N 3.29Å; G133-G135 PolarHBondContact O-N 3.31Å; G133-G136 PolarHBondContact O-N 3.41Å
134P57.9Low69.1Low156 Ų156106.4 Ų106.4100%1.01369%0.694SS**THydrogen-bonded Turntrans-64.57-178.8-18.531.4000115.8
135G54.8Low69.5Low72 Ų72107.9 Ų107.974%0.74269%0.688SS**THydrogen-bonded Turntrans-12614.8169.600000113.1G133 Y137G133-G135 PolarHBondContact O-N 3.31Å; G135-Y137 VanDerWaalsContact C-N 3.26Å; G135-Y137 PolarHBondContact O-N 2.92Å
136G47.8Very low70.5Confident42 Ų42105.7 Ų105.743%0.43366%0.661SS.*  trans-83.414.1-176.800000114.9G133 G138G133-G136 PolarHBondContact O-N 3.41Å; G136-G138 PolarHBondContact O-N 2.94Å
137Y54.3Low71.1Confident227 Ų227101.5 Ų101.589%0.8964%0.637SS**  trans-72.675.7151.5-72.8-86.7000106.4G135 S139G135-Y137 VanDerWaalsContact C-N 3.26Å; G135-Y137 PolarHBondContact O-N 2.92Å; Y137-S139 PolarHBondContact O-N 2.91Å
138G53.6Low71.7Confident61 Ų6195.8 Ų95.863%0.62960%0.599SS**  trans-48120.8152.400000104.8G136 S140G136-G138 PolarHBondContact O-N 2.94Å; G138-S140 VanDerWaalsContact C-N 3.33Å; G138-S140 PolarHBondContact O-N 2.85Å
139S51.8Low73Confident105 Ų10596.2 Ų96.273%0.73458%0.583SS**  trans-41.8108.2174.5-175.80000105.3Y137 V141Y137-S139 PolarHBondContact O-N 2.91Å; S139-V141 PolarHBondContact O-N 2.8Å
140S56.2Low73.9Confident104 Ų10490 Ų9073%0.72754%0.542SS*.  trans-55.1102.7171.3155.40000102.1G138 Y142G138-S140 VanDerWaalsContact C-N 3.33Å; G138-S140 PolarHBondContact O-N 2.85Å; S140-Y142 PolarHBondContact O-N 3.4Å
141V64.4Low74.9Confident121 Ų12180.7 Ų80.773%0.73350%0.499SS*.  trans-55.6102.3-176.2176.20000103.7S139 T143S139-V141 PolarHBondContact O-N 2.8Å; V141-T143 VanDerWaalsContact C-N 3.26Å; V141-T143 PolarHBondContact O-N 2.9Å; V141-T143 PolarHBondContact O-OG1 2.76Å
142Y72.8Confident76.5Confident192 Ų19278.3 Ų78.375%0.75347%0.474SS*.  trans-69.897.1-173176.6-94.6000104.6S140 P144S140-Y142 PolarHBondContact O-N 3.4Å; Y142-P144 HydrophobicContact CE1-CB 4.37Å; Y142-P144 WeakPolarHBondContact O-CD 3.34Å
143T84.2Confident77.7Confident96 Ų9678.4 Ų78.459%0.58946%0.459SS*.  trans-74.8109.5174.7-47.30000106V141 K145V141-T143 VanDerWaalsContact C-N 3.26Å; V141-T143 PolarHBondContact O-N 2.9Å; V141-T143 PolarHBondContact O-OG1 2.76Å; T143-K145 PolarHBondContact O-N 3.48Å
144P91.3Very high78.8Confident27 Ų2783 Ų8318%0.17547%0.467CS..  trans-59.2127.8178.625.3-33.5000108.8Y142 L186 L270 P273Y142-P144 HydrophobicContact CE1-CB 4.37Å; Y142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-L186 HydrophobicContact CB-CD2 3.63Å; P144-L186 HydrophobicContact CG-CD2 3.59Å; P144-L270 HydrophobicContact CB-CD2 3.94Å; P144-L270 HydrophobicContact CG-CD2 3.7Å; P144-P273 HydrophobicContact CG-CB 4.1Å; P144-P273 HydrophobicContact CG-CG 3.84Å
145K95.8Very high80.1Confident158 Ų15882 Ų8269%0.68745%0.449SS*.  trans-113.2113.9175.3-65.3-179.8-175.6179.20107.9T143 V171T143-K145 PolarHBondContact O-N 3.48Å; K145-V171 HydrophobicContact CB-CG1 4.12Å; K145-V171 WeakPolarHBondContact O-CG1 3.31Å
146I98.4Very high81.5Confident15 Ų1579.2 Ų79.28%0.07742%0.417CS..  trans-132.7121.2178.5-60.5165.7000107.1Y174 F182 P185 L186 Y190 F269 L270I146-Y174 HydrophobicContact CD1-CD2 4.48Å; I146-Y174 HydrophobicContact CD1-CE2 4.33Å; I146-Y174 HydrophobicContact CG1-CD2 4.13Å; I146-Y174 HydrophobicContact CG1-CE2 4.02Å; I146-Y174 HydrophobicContact CG2-CD2 3.94Å; I146-F182 HydrophobicContact CG2-CE2 3.73Å; I146-F182 HydrophobicContact CG2-CZ 3.89Å; I146-P185 HydrophobicContact CD1-CG 3.44Å; I146-P185 VanDerWaalsContact CD1-CG 3.44Å; I146-P185 HydrophobicContact CG1-CG 4.39Å; I146-L186 HydrophobicContact CD1-CB 4.36Å; I146-Y190 HydrophobicContact CD1-CE1 4.31Å; I146-Y190 HydrophobicContact CG2-CE1 4.22Å; I146-F269 CarbonylContact O-C 3.5Å; I146-F269 WeakPolarHBondContact O-CA 3.25Å; I146-F269 WeakPolarHBondContact O-CB 3.34Å; I146-L270 HydrophobicContact CB-CB 3.97Å; I146-L270 HydrophobicContact CD1-CB 4.45Å; I146-L270 HydrophobicContact CD1-CD2 4.24Å; I146-L270 PolarHBondContact O-N 3.04Å
147A98.7Very high83.1Confident32 Ų3282.9 Ų82.926%0.26442%0.422SS..EExtended strand (participates in β ladder)trans-158.9141.7177.700000110.4N170 V171 G268 F269A147-N170 CarbonylContact O-C 3.47Å; A147-N170 WeakPolarHBondContact O-CA 3.5Å; A147-V171 PolarHBondContact N-O 3.01Å; A147-V171 PolarHBondContact O-N 3.14Å; A147-G268 CarbonylContact C-O 3.14Å; A147-G268 VanDerWaalsContact CA-O 3.32Å; A147-G268 WeakPolarHBondContact CA-O 3.4Å; A147-F269 HydrophobicContact CB-CB 3.81Å
148F98.9Very high84.3Confident6 Ų673.6 Ų73.63%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-139.3154.5171.376.9-78.8000111.7T169 Y175 F182 F192 F266 S267 G268F148-T169 CarbonylContact C-O 3.51Å; F148-T169 WeakPolarHBondContact CA-O 3.2Å; F148-T169 WeakPolarHBondContact CB-O 3.29Å; F148-Y175 HydrophobicContact CB-CG 4.46Å; F148-Y175 HydrophobicContact CD2-CD1 4.17Å; F148-Y175 AromaticContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CE2 4.32Å; F148-Y175 AromaticContact CD2-CG 3.54Å; F148-Y175 HydrophobicContact CD2-CG 3.54Å; F148-Y175 AromaticContact CE2-CD2 3.53Å; F148-Y175 HydrophobicContact CE2-CD2 3.53Å; F148-Y175 AromaticContact CE2-CE2 3.97Å; F148-Y175 HydrophobicContact CE2-CE2 3.97Å; F148-Y175 AromaticContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CG-CD2 4.32Å; F148-Y175 HydrophobicContact CG-CG 4.05Å; F148-Y175 HydrophobicContact CZ-CD2 4.17Å; F148-F182 AromaticContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CE2 4.24Å; F148-F182 HydrophobicContact CD1-CG 4.47Å; F148-F182 HydrophobicContact CE1-CB 4.06Å; F148-F182 AromaticContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CE2 4.44Å; F148-F182 HydrophobicContact CE1-CG 4.04Å; F148-F182 HydrophobicContact CZ-CB 4.28Å; F148-F192 HydrophobicContact CE1-CD1 4.05Å; F148-F192 AromaticContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CZ-CD1 4.16Å; F148-F192 HydrophobicContact CZ-CE1 4.29Å; F148-F266 AromaticContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD2 4.49Å; F148-F266 AromaticContact CE2-CE1 3.8Å; F148-F266 HydrophobicContact CE2-CE1 3.8Å; F148-F266 AromaticContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CZ 4.33Å; F148-F266 AromaticContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD2 4.35Å; F148-F266 AromaticContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE2 4.1Å; F148-F266 HydrophobicContact CZ-CG 4.22Å; F148-F266 AromaticContact CZ-CZ 3.71Å; F148-F266 HydrophobicContact CZ-CZ 3.71Å; F148-S267 VanDerWaalsContact O-CA 3.26Å; F148-S267 WeakPolarHBondContact O-CA 3.31Å; F148-S267 VanDerWaalsContact O-CB 3.29Å; F148-S267 WeakPolarHBondContact O-CB 3.48Å; F148-G268 WeakPolarHBondContact CD1-O 3.44Å; F148-G268 PolarHBondContact N-O 2.84Å; F148-G268 PolarHBondContact O-N 2.86Å; F148-G268 VanDerWaalsContact O-N 3.09Å
149Y98.9Very high85.7Confident70 Ų7074.3 Ų74.328%0.27539%0.391SS..EExtended strand (participates in β ladder)trans-146.9129.4168.8170.3-83.5000108V168 T169 K262 T265Y149-V168 HydrophobicContact CD1-CB 3.69Å; Y149-V168 HydrophobicContact CD1-CG2 3.64Å; Y149-V168 HydrophobicContact CE1-CB 4.15Å; Y149-V168 HydrophobicContact CE1-CG2 3.62Å; Y149-V168 PolarHBondContact O-N 2.84Å; Y149-T169 PolarHBondContact N-O 3.15Å; Y149-T169 PolarHBondContact O-N 2.85Å; Y149-K262 HydrophobicContact CE1-CD 4.31Å; Y149-T265 HydrophobicContact CE2-CG2 3.97Å; Y149-T265 VanDerWaalsContact OH-CG2 3.27Å; Y149-T265 WeakPolarHBondContact OH-CG2 3.33Å
150A98.8Very high87.5Confident0 Ų072.7 Ų72.70%037%0.372CS..EExtended strand (participates in β ladder)trans-137.9138.4177.900000111.1F164 D166 V167 Y175 T265 F266A150-F164 HydrophobicContact CB-CB 3.59Å; A150-F164 WeakPolarHBondContact CB-O 3.36Å; A150-D166 WeakPolarHBondContact CA-O 3.36Å; A150-V167 HydrophobicContact CB-CG2 4.15Å; A150-Y175 HydrophobicContact CB-CD1 4.32Å; A150-Y175 HydrophobicContact CB-CE1 3.76Å; A150-T265 VanDerWaalsContact O-CA 3.3Å; A150-T265 WeakPolarHBondContact O-CA 3.46Å; A150-F266 PolarHBondContact N-O 3.38Å; A150-F266 PolarHBondContact O-N 2.9Å
151G98.4Very high89.4Confident0 Ų070 Ų700%035%0.349CS..EExtended strand (participates in β ladder)trans-92.9174.6167.100000111.8F164 D165 D166 N261 S264G151-F164 CarbonylContact O-C 3.59Å; G151-F164 WeakPolarHBondContact O-CA 3.39Å; G151-F164 VanDerWaalsContact O-CB 3.32Å; G151-F164 WeakPolarHBondContact O-CB 3.44Å; G151-D165 PolarHBondContact O-N 2.74Å; G151-D166 PolarHBondContact N-O 2.88Å; G151-D166 WeakPolarHBondContact O-CB 3.42Å; G151-D166 PolarHBondContact O-N 3.13Å; G151-N261 CarbonylContact C-O 3.54Å; G151-N261 WeakPolarHBondContact CA-O 3.31Å; G151-S264 CarbonylContact C-O 3.57Å; G151-S264 WeakPolarHBondContact CA-O 3.5Å
152L97Very high90.9Very high0 Ų064.2 Ų64.20%031%0.314CS..  trans-110.2122.8-179.6-164.774.1000110.3K154 K163 F164 V255 G257 N261 S264L152-K154 WeakPolarHBondContact CD2-O 3.37Å; L152-K154 VanDerWaalsContact CG-O 3.28Å; L152-K154 WeakPolarHBondContact CG-O 3.37Å; L152-K163 WeakPolarHBondContact CD1-O 3.48Å; L152-F164 HydrophobicContact CB-CD1 4.02Å; L152-F164 HydrophobicContact CB-CE1 4.48Å; L152-F164 HydrophobicContact CD1-CD1 4.06Å; L152-F164 HydrophobicContact CD1-CG 4.26Å; L152-V255 HydrophobicContact CD2-CB 4.24Å; L152-V255 HydrophobicContact CD2-CG1 3.4Å; L152-G257 WeakPolarHBondContact O-CA 3.23Å; L152-N261 PolarHBondContact N-O 3.19Å; L152-N261 VanDerWaalsContact O-CA 3.24Å; L152-N261 WeakPolarHBondContact O-CA 3.35Å; L152-N261 VanDerWaalsContact O-CB 3.26Å; L152-N261 WeakPolarHBondContact O-CB 3.18Å; L152-S264 PolarHBondContact N-O 2.8Å
153R93.8Very high92Very high118 Ų11859.1 Ų59.145%0.44530%0.296SS..  trans-98.6-43.6174.8-169.2-175.7-53.11140.8111.6D165 D166 N261R153-D165 WeakPolarHBondContact CA-OD1 3.14Å; R153-D165 WeakPolarHBondContact CB-OD1 3.46Å; R153-D165 IonicContact CZ-OD2 3.73Å; R153-D165 PolarHBondContact N-OD1 2.94Å; R153-D165 PolarHBondContact NH1-O 2.88Å; R153-D165 IonicContact NH1-OD1 2.82Å; R153-D165 IonicContact NH1-OD2 3.87Å; R153-D165 PolarHBondContact NH1-OD2 2.7Å; R153-D165 PolarHBondContact NH2-O 3.2Å; R153-D166 IonicContact CZ-OD1 2.69Å; R153-D166 IonicContact NE-OD1 2.74Å; R153-D166 IonicContact NH2-OD1 3.06Å; R153-D166 PolarHBondContact NH2-OD1 2.81Å; R153-N261 HydrophobicContact CB-CB 4.47Å
154K87.4Confident92.7Very high140 Ų14054.5 Ų54.561%0.60927%0.267SS*.SBendtrans-87136.1-179.1-66.5176.9-173.2177.50110.5L152 H156 D165L152-K154 WeakPolarHBondContact CD2-O 3.37Å; L152-K154 VanDerWaalsContact CG-O 3.28Å; L152-K154 WeakPolarHBondContact CG-O 3.37Å; K154-H156 PolarHBondContact O-CD2 3.13Å; K154-H156 VanDerWaalsContact O-CD2 3.29Å; K154-D165 PolarHBondContact N-OD1 3.49Å
155Q85.6Confident93Very high136 Ų13654.5 Ų54.564%0.63627%0.266SS*.  trans-70.7142171.1-65.6-178.82.200109.2V255 H256Q155-V255 WeakPolarHBondContact CA-O 3.48Å; Q155-H256 PolarHBondContact NE2-ND1 2.65Å; Q155-H256 VanDerWaalsContact NE2-ND1 3.15Å
156H83.4Confident93.1Very high14 Ų1448.3 Ų48.37%0.06524%0.24CC..EExtended strand (participates in β ladder)trans-120.8148.2177.7-78-90.5000109.3K154 E160 L162 K163 K254 V255K154-H156 PolarHBondContact O-CD2 3.13Å; K154-H156 VanDerWaalsContact O-CD2 3.29Å; H156-E160 WeakPolarHBondContact CB-OE1 3.49Å; H156-E160 IonicContact CE1-OE1 3.72Å; H156-E160 IonicContact CG-OE1 3.86Å; H156-E160 IonicContact ND1-OE1 3.55Å; H156-E160 PolarHBondContact ND1-OE1 2.95Å; H156-E160 IonicContact ND1-OE2 3.38Å; H156-L162 HydrophobicContact CB-CD2 3.46Å; H156-L162 VanDerWaalsContact CB-CD2 3.46Å; H156-K163 PolarHBondContact NE2-N 3.04Å; H156-K254 WeakPolarHBondContact O-CA 3.43Å; H156-V255 HydrophobicContact CB-CB 4.5Å; H156-V255 PolarHBondContact O-N 3.32Å
157E82Confident93.1Very high118 Ų11850.1 Ų50.155%0.55125%0.252SS*.EExtended strand (participates in β ladder)trans-144.9154.5179.165.8-178-177.200112.5E160 G253 K254E157-E160 PolarHBondContact N-OE1 2.99Å; E157-G253 WeakPolarHBondContact CA-O 3.39Å; E157-K254 HydrophobicContact CB-CG 4.02Å; E157-K254 WeakPolarHBondContact OE2-CE 3.46Å; E157-K254 IonicContact OE2-NZ 2.61Å; E157-K254 PolarHBondContact OE2-NZ 3.37Å; E157-K254 VanDerWaalsContact OE2-NZ 3.15Å
158G79.3Confident93.1Very high33 Ų3352.8 Ų52.834%0.3427%0.265SS..SBendtrans81.5-139.4178.900000112.8L250 G252 G253G158-L250 VanDerWaalsContact O-CD2 3.3Å; G158-L250 WeakPolarHBondContact O-CD2 3.31Å; G158-L250 WeakPolarHBondContact O-CG 3.39Å; G158-G252 PolarHBondContact O-N 2.7Å; G158-G252 VanDerWaalsContact O-N 3.13Å; G158-G253 PolarHBondContact N-O 2.95Å
159S83.4Confident93.1Very high75 Ų7555.3 Ų55.352%0.52428%0.281SS..SBendtrans-118.575.8-175.9-550000110.6L250 D251S159-L250 VanDerWaalsContact CA-O 3.28Å; S159-L250 WeakPolarHBondContact CA-O 3.43Å; S159-D251 PolarHBondContact OG-OD1 2.99Å
160E88.6Confident93.1Very high71 Ų7153.6 Ų53.633%0.33228%0.276SS..  trans-130.2162.7-179.166.4173.6161.200113H156 E157 L162 L250H156-E160 WeakPolarHBondContact CB-OE1 3.49Å; H156-E160 IonicContact CE1-OE1 3.72Å; H156-E160 IonicContact CG-OE1 3.86Å; H156-E160 IonicContact ND1-OE1 3.55Å; H156-E160 PolarHBondContact ND1-OE1 2.95Å; H156-E160 IonicContact ND1-OE2 3.38Å; E157-E160 PolarHBondContact N-OE1 2.99Å; E160-L162 PolarHBondContact O-N 3.22Å; E160-L250 PolarHBondContact O-N 2.94Å
161I95.9Very high93Very high47 Ų4757 Ų5724%0.24130%0.297CS..BIsolated β-bridgetrans-69.8128.2171.3-61.9173.7000108.4K163 T179 C247I161-K163 PolarHBondContact O-N 3.35Å; I161-T179 WeakPolarHBondContact CG2-O 3.19Å; I161-C247 HydrophobicContact CG2-CB 3.91Å
162L96.4Very high92.9Very high0 Ų058.6 Ų58.60%031%0.313CS..  trans-73.8121.6177.9-63.7-178.1000110.3H156 E160 F164 G180 V196 V248 L250 V255H156-L162 HydrophobicContact CB-CD2 3.46Å; H156-L162 VanDerWaalsContact CB-CD2 3.46Å; E160-L162 PolarHBondContact O-N 3.22Å; L162-F164 HydrophobicContact CB-CD2 4.21Å; L162-F164 HydrophobicContact CB-CE2 3.55Å; L162-F164 HydrophobicContact CB-CZ 3.9Å; L162-F164 HydrophobicContact CD1-CE2 4.38Å; L162-F164 HydrophobicContact CD1-CZ 3.94Å; L162-F164 WeakPolarHBondContact O-CD2 3.32Å; L162-F164 PolarHBondContact O-N 2.91Å; L162-G180 WeakPolarHBondContact O-CA 3.37Å; L162-V196 HydrophobicContact CD1-CG1 3.94Å; L162-V196 HydrophobicContact CD1-CG2 3.92Å; L162-V248 HydrophobicContact CD1-CG1 4.04Å; L162-V248 PolarHBondContact N-O 3.49Å; L162-L250 HydrophobicContact CD2-CB 4.05Å; L162-L250 HydrophobicContact CG-CB 4.33Å; L162-V255 HydrophobicContact CD1-CG1 4.44Å; L162-V255 HydrophobicContact CD1-CG2 4.27Å; L162-V255 HydrophobicContact CD2-CB 4.28Å; L162-V255 HydrophobicContact CD2-CG2 4.03Å
163K97.1Very high93Very high85 Ų8564.8 Ų64.837%0.3735%0.347SS..  trans-98.885.7-179.1-62.8174.5-175.81770109.2L152 H156 I161 D165 S178L152-K163 WeakPolarHBondContact CD1-O 3.48Å; H156-K163 PolarHBondContact NE2-N 3.04Å; I161-K163 PolarHBondContact O-N 3.35Å; K163-D165 VanDerWaalsContact C-N 3.28Å; K163-D165 PolarHBondContact O-N 3.15Å; K163-S178 WeakPolarHBondContact CD-O 3.3Å; K163-S178 WeakPolarHBondContact CE-O 3.33Å
164F97.8Very high93.2Very high0 Ų063.7 Ų63.70%034%0.343CS..  trans-66.488.2175.6-56-96.2000109.6A150 G151 L152 L162 Y175 V196 V248 F266A150-F164 HydrophobicContact CB-CB 3.59Å; A150-F164 WeakPolarHBondContact CB-O 3.36Å; G151-F164 CarbonylContact O-C 3.59Å; G151-F164 WeakPolarHBondContact O-CA 3.39Å; G151-F164 VanDerWaalsContact O-CB 3.32Å; G151-F164 WeakPolarHBondContact O-CB 3.44Å; L152-F164 HydrophobicContact CB-CD1 4.02Å; L152-F164 HydrophobicContact CB-CE1 4.48Å; L152-F164 HydrophobicContact CD1-CD1 4.06Å; L152-F164 HydrophobicContact CD1-CG 4.26Å; L162-F164 HydrophobicContact CB-CD2 4.21Å; L162-F164 HydrophobicContact CB-CE2 3.55Å; L162-F164 HydrophobicContact CB-CZ 3.9Å; L162-F164 HydrophobicContact CD1-CE2 4.38Å; L162-F164 HydrophobicContact CD1-CZ 3.94Å; L162-F164 WeakPolarHBondContact O-CD2 3.32Å; L162-F164 PolarHBondContact O-N 2.91Å; F164-Y175 VanDerWaalsContact CB-OH 3.31Å; F164-Y175 WeakPolarHBondContact CB-OH 3.06Å; F164-Y175 PolarHBondContact N-OH 3.03Å; F164-Y175 WeakPolarHBondContact O-CE1 3.49Å; F164-Y175 PolarHBondContact O-OH 3.32Å; F164-V196 HydrophobicContact CZ-CG2 4.26Å; F164-V248 HydrophobicContact CE2-CB 4.07Å; F164-V248 HydrophobicContact CE2-CG2 4.29Å; F164-V248 HydrophobicContact CZ-CB 4.44Å; F164-F266 HydrophobicContact CD1-CB 4.06Å; F164-F266 HydrophobicContact CD2-CB 3.56Å; F164-F266 HydrophobicContact CD2-CD1 4.15Å; F164-F266 HydrophobicContact CD2-CG 4.28Å; F164-F266 HydrophobicContact CE1-CB 4.03Å; F164-F266 HydrophobicContact CE2-CB 3.53Å; F164-F266 HydrophobicContact CE2-CD1 4.26Å; F164-F266 HydrophobicContact CE2-CG 4.16Å; F164-F266 HydrophobicContact CG-CB 3.84Å; F164-F266 HydrophobicContact CZ-CB 3.77Å
165D97.2Very high93.7Very high26 Ų2657.2 Ų57.214%0.13932%0.315CS..  trans-92.16.2-168.468.6-32.9000113.9G151 R153 K154 K163G151-D165 PolarHBondContact O-N 2.74Å; R153-D165 WeakPolarHBondContact CA-OD1 3.14Å; R153-D165 WeakPolarHBondContact CB-OD1 3.46Å; R153-D165 IonicContact CZ-OD2 3.73Å; R153-D165 PolarHBondContact N-OD1 2.94Å; R153-D165 PolarHBondContact NH1-O 2.88Å; R153-D165 IonicContact NH1-OD1 2.82Å; R153-D165 IonicContact NH1-OD2 3.87Å; R153-D165 PolarHBondContact NH1-OD2 2.7Å; R153-D165 PolarHBondContact NH2-O 3.2Å; K154-D165 PolarHBondContact N-OD1 3.49Å; K163-D165 VanDerWaalsContact C-N 3.28Å; K163-D165 PolarHBondContact O-N 3.15Å
166D98.1Very high94.4Very high28 Ų2855 Ų5515%0.1531%0.305CS..EExtended strand (participates in β ladder)trans-108.670.2174.8-160.853.3000111.4A150 G151 R153 V168 N261 K262A150-D166 WeakPolarHBondContact CA-O 3.36Å; G151-D166 PolarHBondContact N-O 2.88Å; G151-D166 WeakPolarHBondContact O-CB 3.42Å; G151-D166 PolarHBondContact O-N 3.13Å; R153-D166 IonicContact CZ-OD1 2.69Å; R153-D166 IonicContact NE-OD1 2.74Å; R153-D166 IonicContact NH2-OD1 3.06Å; R153-D166 PolarHBondContact NH2-OD1 2.81Å; D166-V168 PolarHBondContact O-N 3.39Å; D166-N261 HydrophobicContact CB-CB 3.99Å; D166-N261 WeakPolarHBondContact OD2-CB 3.22Å; D166-K262 IonicContact OD2-NZ 3.69Å; D166-K262 PolarHBondContact OD2-NZ 2.82Å
167V98.4Very high95Very high54 Ų5456.2 Ų56.233%0.32731%0.314SS..EExtended strand (participates in β ladder)trans-71.7123.3-176.8-176.90000110.8A150 N170 Y175 P177A150-V167 HydrophobicContact CB-CG2 4.15Å; V167-N170 HydrophobicContact CG1-CB 3.77Å; V167-Y175 HydrophobicContact CG2-CD1 4.1Å; V167-Y175 HydrophobicContact CG2-CE1 4.11Å; V167-P177 HydrophobicContact CG2-CB 3.85Å; V167-P177 HydrophobicContact CG2-CG 4.01Å
168V98.5Very high95.7Very high88 Ų8854.1 Ų54.153%0.53331%0.312SS..EExtended strand (participates in β ladder)trans-101.8-39.7173.8-172.60000111Y149 D166Y149-V168 HydrophobicContact CD1-CB 3.69Å; Y149-V168 HydrophobicContact CD1-CG2 3.64Å; Y149-V168 HydrophobicContact CE1-CB 4.15Å; Y149-V168 HydrophobicContact CE1-CG2 3.62Å; Y149-V168 PolarHBondContact O-N 2.84Å; D166-V168 PolarHBondContact O-N 3.39Å
169T98.7Very high96.6Very high58 Ų5855.2 Ų55.236%0.35631%0.312SS..EExtended strand (participates in β ladder)trans-130.4135.3179.9-56.80000109.1F148 Y149 V171F148-T169 CarbonylContact C-O 3.51Å; F148-T169 WeakPolarHBondContact CA-O 3.2Å; F148-T169 WeakPolarHBondContact CB-O 3.29Å; Y149-T169 PolarHBondContact N-O 3.15Å; Y149-T169 PolarHBondContact O-N 2.85Å; T169-V171 HydrophobicContact CG2-CG2 3.96Å
170N98.6Very high97.3Very high35 Ų3551.6 Ų51.619%0.18729%0.287CS..EExtended strand (participates in β ladder)trans-153.261.1174-159.42.9000111.2A147 V167 G172 N173 Y174 Y175A147-N170 CarbonylContact O-C 3.47Å; A147-N170 WeakPolarHBondContact O-CA 3.5Å; V167-N170 HydrophobicContact CG1-CB 3.77Å; N170-G172 PolarHBondContact O-N 2.87Å; N170-N173 PolarHBondContact O-N 2.9Å; N170-N173 PolarHBondContact O-OD1 3.32Å; N170-N173 WeakPolarHBondContact OD1-CA 3.24Å; N170-Y174 PolarHBondContact OD1-N 2.82Å; N170-Y175 PolarHBondContact ND2-O 3.31Å; N170-Y175 PolarHBondContact OD1-N 3.01Å
171V98.3Very high97.8Very high70 Ų7050.5 Ų50.542%0.42428%0.281SS..EExtended strand (participates in β ladder)trans-64.2117.8178.2-1740000108.9K145 A147 T169K145-V171 HydrophobicContact CB-CG1 4.12Å; K145-V171 WeakPolarHBondContact O-CG1 3.31Å; A147-V171 PolarHBondContact N-O 3.01Å; A147-V171 PolarHBondContact O-N 3.14Å; T169-V171 HydrophobicContact CG2-CG2 3.96Å
172G96.1Very high97.9Very high34 Ų3448.3 Ų48.335%0.35127%0.27SS..THydrogen-bonded Turntrans92-10.3-175.600000114.8N170 Y174N170-G172 PolarHBondContact O-N 2.87Å; G172-Y174 VanDerWaalsContact C-CD2 3.48Å; G172-Y174 VanDerWaalsContact C-N 3.34Å; G172-Y174 VanDerWaalsContact CA-CE2 3.48Å; G172-Y174 WeakPolarHBondContact O-CD2 3.21Å; G172-Y174 VanDerWaalsContact O-CE2 3.25Å; G172-Y174 WeakPolarHBondContact O-CE2 3.14Å; G172-Y174 PolarHBondContact O-N 3.21Å
173N98.1Very high98Very high131 Ų13150.9 Ų50.970%0.70129%0.286SS*.SBendtrans57.339.3178.9-58.4-53.2000114.6N170N170-N173 PolarHBondContact O-N 2.9Å; N170-N173 PolarHBondContact O-OD1 3.32Å; N170-N173 WeakPolarHBondContact OD1-CA 3.24Å
174Y98.5Very high98.1Very high94 Ų9447 Ų4737%0.36927%0.269SS..  trans-97.9-6.9-177.9-59.9-62.4000113.9I146 N170 G172 F182 T183 P185I146-Y174 HydrophobicContact CD1-CD2 4.48Å; I146-Y174 HydrophobicContact CD1-CE2 4.33Å; I146-Y174 HydrophobicContact CG1-CD2 4.13Å; I146-Y174 HydrophobicContact CG1-CE2 4.02Å; I146-Y174 HydrophobicContact CG2-CD2 3.94Å; N170-Y174 PolarHBondContact OD1-N 2.82Å; G172-Y174 VanDerWaalsContact C-CD2 3.48Å; G172-Y174 VanDerWaalsContact C-N 3.34Å; G172-Y174 VanDerWaalsContact CA-CE2 3.48Å; G172-Y174 WeakPolarHBondContact O-CD2 3.21Å; G172-Y174 VanDerWaalsContact O-CE2 3.25Å; G172-Y174 WeakPolarHBondContact O-CE2 3.14Å; G172-Y174 PolarHBondContact O-N 3.21Å; Y174-F182 CarbonylContact O-C 3.49Å; Y174-F182 WeakPolarHBondContact O-CA 3.46Å; Y174-T183 PolarHBondContact O-N 2.83Å; Y174-P185 HydrophobicContact CD1-CB 3.56Å; Y174-P185 HydrophobicContact CD1-CG 3.8Å; Y174-P185 HydrophobicContact CD2-CB 4.24Å; Y174-P185 HydrophobicContact CD2-CG 3.63Å; Y174-P185 HydrophobicContact CE1-CB 3.21Å; Y174-P185 HydrophobicContact CE1-CG 3.75Å; Y174-P185 HydrophobicContact CE2-CB 3.91Å; Y174-P185 HydrophobicContact CE2-CG 3.52Å; Y174-P185 HydrophobicContact CG-CB 4.06Å; Y174-P185 HydrophobicContact CG-CG 3.74Å
175Y98.8Very high98.1Very high4 Ų448.5 Ų48.52%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-94.1127.1165.2-179.6-101.3000110.5F148 A150 F164 V167 N170 P177 G180 K181 F182 F266F148-Y175 HydrophobicContact CB-CG 4.46Å; F148-Y175 HydrophobicContact CD2-CD1 4.17Å; F148-Y175 AromaticContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CE2 4.32Å; F148-Y175 AromaticContact CD2-CG 3.54Å; F148-Y175 HydrophobicContact CD2-CG 3.54Å; F148-Y175 AromaticContact CE2-CD2 3.53Å; F148-Y175 HydrophobicContact CE2-CD2 3.53Å; F148-Y175 AromaticContact CE2-CE2 3.97Å; F148-Y175 HydrophobicContact CE2-CE2 3.97Å; F148-Y175 AromaticContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CG-CD2 4.32Å; F148-Y175 HydrophobicContact CG-CG 4.05Å; F148-Y175 HydrophobicContact CZ-CD2 4.17Å; A150-Y175 HydrophobicContact CB-CD1 4.32Å; A150-Y175 HydrophobicContact CB-CE1 3.76Å; F164-Y175 VanDerWaalsContact CB-OH 3.31Å; F164-Y175 WeakPolarHBondContact CB-OH 3.06Å; F164-Y175 PolarHBondContact N-OH 3.03Å; F164-Y175 WeakPolarHBondContact O-CE1 3.49Å; F164-Y175 PolarHBondContact O-OH 3.32Å; V167-Y175 HydrophobicContact CG2-CD1 4.1Å; V167-Y175 HydrophobicContact CG2-CE1 4.11Å; N170-Y175 PolarHBondContact ND2-O 3.31Å; N170-Y175 PolarHBondContact OD1-N 3.01Å; Y175-P177 HydrophobicContact CE1-CB 4.11Å; Y175-G180 WeakPolarHBondContact OH-CA 3.45Å; Y175-K181 WeakPolarHBondContact CA-O 3.33Å; Y175-K181 WeakPolarHBondContact CD2-O 3.27Å; Y175-F182 HydrophobicContact CD2-CB 4.41Å; Y175-F266 AromaticContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CE1 4.17Å
176E98.6Very high98.1Very high90 Ų9050.1 Ų50.142%0.42129%0.287SS..EExtended strand (participates in β ladder)trans-109.2102.3-179178.852.6-111.100110.4S178 T179 G180 K181E176-S178 WeakPolarHBondContact CG-OG 2.95Å; E176-S178 PolarHBondContact O-N 3.01Å; E176-S178 WeakPolarHBondContact OE1-CB 3.28Å; E176-S178 PolarHBondContact OE1-N 3.29Å; E176-S178 PolarHBondContact OE1-OG 2.67Å; E176-T179 HydrophobicContact CG-CG2 3.92Å; E176-T179 PolarHBondContact O-N 2.84Å; E176-T179 VanDerWaalsContact O-N 3.11Å; E176-T179 PolarHBondContact O-OG1 2.85Å; E176-G180 PolarHBondContact O-N 3.38Å; E176-K181 PolarHBondContact N-O 2.96Å
177P97.6Very high98.2Very high39 Ų3950.7 Ų50.725%0.25329%0.293SS..THydrogen-bonded Turntrans-65.3-23.8-17525.4-34.4000113.4V167 Y175 T179V167-P177 HydrophobicContact CG2-CB 3.85Å; V167-P177 HydrophobicContact CG2-CG 4.01Å; Y175-P177 HydrophobicContact CE1-CB 4.11Å; P177-T179 VanDerWaalsContact C-N 3.26Å; P177-T179 PolarHBondContact O-N 3.03Å
178S96.6Very high98.2Very high75 Ų7548.1 Ų48.152%0.52428%0.277SS..THydrogen-bonded Turntrans-69.4-25.6176.7640000113K163 E176K163-S178 WeakPolarHBondContact CD-O 3.3Å; K163-S178 WeakPolarHBondContact CE-O 3.33Å; E176-S178 WeakPolarHBondContact CG-OG 2.95Å; E176-S178 PolarHBondContact O-N 3.01Å; E176-S178 WeakPolarHBondContact OE1-CB 3.28Å; E176-S178 PolarHBondContact OE1-N 3.29Å; E176-S178 PolarHBondContact OE1-OG 2.67Å
179T97.3Very high98.2Very high55 Ų5545.2 Ų45.234%0.33726%0.258SS..THydrogen-bonded Turntrans-108.2-21.9-179.967.60000113.3I161 E176 P177 K181I161-T179 WeakPolarHBondContact CG2-O 3.19Å; E176-T179 HydrophobicContact CG-CG2 3.92Å; E176-T179 PolarHBondContact O-N 2.84Å; E176-T179 VanDerWaalsContact O-N 3.11Å; E176-T179 PolarHBondContact O-OG1 2.85Å; P177-T179 VanDerWaalsContact C-N 3.26Å; P177-T179 PolarHBondContact O-N 3.03Å; T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 WeakPolarHBondContact OG1-CB 3.37Å; T179-K181 PolarHBondContact OG1-N 2.56Å
180G98Very high98.2Very high0 Ų042.4 Ų42.40%024%0.241CC..THydrogen-bonded Turntrans79.612.1-174.500000113.7L162 Y175 E176L162-G180 WeakPolarHBondContact O-CA 3.37Å; Y175-G180 WeakPolarHBondContact OH-CA 3.45Å; E176-G180 PolarHBondContact O-N 3.38Å
181K98.8Very high98.2Very high48 Ų4843.8 Ų43.821%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-110.4143.1-171-55.7-175.4-179.9-176.60112.3Y175 E176 T179 E245 V246 C247Y175-K181 WeakPolarHBondContact CA-O 3.33Å; Y175-K181 WeakPolarHBondContact CD2-O 3.27Å; E176-K181 PolarHBondContact N-O 2.96Å; T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 WeakPolarHBondContact OG1-CB 3.37Å; T179-K181 PolarHBondContact OG1-N 2.56Å; K181-E245 HydrophobicContact CD-CB 4.36Å; K181-E245 HydrophobicContact CD-CG 4.33Å; K181-E245 VanDerWaalsContact CD-OE1 3.29Å; K181-E245 WeakPolarHBondContact CD-OE1 3.32Å; K181-E245 IonicContact NZ-OE1 3.88Å; K181-E245 PolarHBondContact NZ-OE1 3.05Å; K181-E245 IonicContact NZ-OE2 3.42Å; K181-E245 PolarHBondContact NZ-OE2 3.02Å; K181-V246 WeakPolarHBondContact CA-O 3.47Å; K181-C247 HydrophobicContact CG-CB 4.05Å
182F98.9Very high98.2Very high1 Ų140.5 Ų40.50%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-94.6130.2159.5172.9-91.2000108.9I146 F148 Y174 Y175 C184 Y190 F192 L240 E245 V246I146-F182 HydrophobicContact CG2-CE2 3.73Å; I146-F182 HydrophobicContact CG2-CZ 3.89Å; F148-F182 AromaticContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CE2 4.24Å; F148-F182 HydrophobicContact CD1-CG 4.47Å; F148-F182 HydrophobicContact CE1-CB 4.06Å; F148-F182 AromaticContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CE2 4.44Å; F148-F182 HydrophobicContact CE1-CG 4.04Å; F148-F182 HydrophobicContact CZ-CB 4.28Å; Y174-F182 CarbonylContact O-C 3.49Å; Y174-F182 WeakPolarHBondContact O-CA 3.46Å; Y175-F182 HydrophobicContact CD2-CB 4.41Å; F182-C184 HydrophobicContact CE1-CB 4.3Å; F182-Y190 HydrophobicContact CE1-CD1 4.22Å; F182-Y190 HydrophobicContact CE1-CE1 4.12Å; F182-Y190 HydrophobicContact CZ-CD1 4.03Å; F182-Y190 AromaticContact CZ-CE1 3.69Å; F182-Y190 HydrophobicContact CZ-CE1 3.69Å; F182-F192 HydrophobicContact CB-CE1 4.3Å; F182-F192 AromaticContact CD1-CE1 3.84Å; F182-F192 HydrophobicContact CD1-CE1 3.84Å; F182-F192 AromaticContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CE1-CE1 4.33Å; F182-F192 AromaticContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CG-CE1 4.01Å; F182-F192 HydrophobicContact CG-CZ 4.4Å; F182-L240 HydrophobicContact CD1-CD1 4.33Å; F182-L240 HydrophobicContact CE1-CD1 3.92Å; F182-E245 CarbonylContact O-C 3.53Å; F182-E245 WeakPolarHBondContact O-CA 3.39Å; F182-V246 HydrophobicContact CB-CB 4.5Å; F182-V246 PolarHBondContact N-O 2.98Å; F182-V246 PolarHBondContact O-N 3.06Å
183T98.9Very high98.4Very high54 Ų5439.7 Ų39.733%0.33121%0.212SC..EExtended strand (participates in β ladder)trans-111.4120.2175.7-56.20000109.8Y174 P185 D244Y174-T183 PolarHBondContact O-N 2.83Å; T183-P185 VanDerWaalsContact O-CD 3.31Å; T183-P185 WeakPolarHBondContact O-CD 3.37Å; T183-D244 WeakPolarHBondContact CA-O 3.46Å
184C98.7Very high98.4Very high2 Ų233.4 Ų33.41%0.01418%0.179CC..  trans-63.8121.6-177.2-177.10000111.4F182 L186 L240 D241 V242 G243 D244F182-C184 HydrophobicContact CE1-CB 4.3Å; C184-L186 PolarHBondContact SG-O 3.27Å; C184-L240 HydrophobicContact CB-CB 3.92Å; C184-L240 HydrophobicContact CB-CD1 4.09Å; C184-L240 VanDerWaalsContact SG-CB 3.52Å; C184-D241 WeakPolarHBondContact CB-O 3.31Å; C184-D241 PolarHBondContact SG-O 2.7Å; C184-V242 WeakPolarHBondContact O-CA 3.38Å; C184-G243 PolarHBondContact O-N 3.42Å; C184-D244 HydrophobicContact CB-CB 4.09Å; C184-D244 WeakPolarHBondContact CB-O 3.28Å; C184-D244 PolarHBondContact N-O 2.9Å
185P98Very high98.4Very high33 Ų3332.6 Ų32.621%0.21418%0.178CC..SBendtrans-95.9-15178.839.1-38.9000113.7I146 Y174 T183I146-P185 HydrophobicContact CD1-CG 3.44Å; I146-P185 VanDerWaalsContact CD1-CG 3.44Å; I146-P185 HydrophobicContact CG1-CG 4.39Å; Y174-P185 HydrophobicContact CD1-CB 3.56Å; Y174-P185 HydrophobicContact CD1-CG 3.8Å; Y174-P185 HydrophobicContact CD2-CB 4.24Å; Y174-P185 HydrophobicContact CD2-CG 3.63Å; Y174-P185 HydrophobicContact CE1-CB 3.21Å; Y174-P185 HydrophobicContact CE1-CG 3.75Å; Y174-P185 HydrophobicContact CE2-CB 3.91Å; Y174-P185 HydrophobicContact CE2-CG 3.52Å; Y174-P185 HydrophobicContact CG-CB 4.06Å; Y174-P185 HydrophobicContact CG-CG 3.74Å; T183-P185 VanDerWaalsContact O-CD 3.31Å; T183-P185 WeakPolarHBondContact O-CD 3.37Å
186L97.6Very high98.2Very high60 Ų6032.4 Ų32.431%0.31418%0.177SC..SBendtrans-152129.8-168.6-174.975000108.9P144 I146 C184 Y190 L270 P273P144-L186 HydrophobicContact CB-CD2 3.63Å; P144-L186 HydrophobicContact CG-CD2 3.59Å; I146-L186 HydrophobicContact CD1-CB 4.36Å; C184-L186 PolarHBondContact SG-O 3.27Å; L186-Y190 WeakPolarHBondContact O-CE2 3.46Å; L186-Y190 PolarHBondContact O-OH 2.94Å; L186-L270 HydrophobicContact CD2-CD2 4.33Å; L186-P273 HydrophobicContact CD2-CB 3.77Å; L186-P273 HydrophobicContact CG-CB 4.47Å
187P98.5Very high98Very high40 Ų4029.1 Ų29.126%0.2616%0.162SC..  trans-66.8143.2-179.230.6-32.2000110.8L240 D274P187-L240 WeakPolarHBondContact CA-O 3.38Å; P187-D274 HydrophobicContact CB-CB 4.49Å; P187-D274 PolarHBondContact O-N 2.86Å; P187-D274 VanDerWaalsContact O-N 3.11Å
188G98.4Very high97.6Very high0 Ų027.2 Ų27.20%015%0.15CC..EExtended strand (participates in β ladder)trans163.1-174.9-175.500000114.1Y190 H239 L240 Y272 D274G188-Y190 WeakPolarHBondContact O-CD2 2.79Å; G188-H239 WeakPolarHBondContact O-CA 3.13Å; G188-L240 PolarHBondContact N-O 2.75Å; G188-L240 VanDerWaalsContact N-O 3.16Å; G188-L240 PolarHBondContact O-N 3.28Å; G188-Y272 WeakPolarHBondContact CA-O 3.43Å; G188-D274 WeakPolarHBondContact CA-OD1 3.32Å
189I98.8Very high97Very high26 Ų2628.2 Ų28.213%0.13314%0.143CC..EExtended strand (participates in β ladder)trans-96.8124.7176.4-59-56.6000110.1I237 H239 I271 Y272I189-I237 HydrophobicContact CG2-CG2 3.32Å; I189-H239 HydrophobicContact CD1-CB 3.59Å; I189-I271 HydrophobicContact CG2-CB 4.42Å; I189-I271 HydrophobicContact CG2-CD1 3.92Å; I189-I271 HydrophobicContact CG2-CG1 4.35Å; I189-I271 WeakPolarHBondContact O-CB 3.37Å; I189-I271 PolarHBondContact O-N 3.05Å; I189-Y272 HydrophobicContact CB-CD2 4.13Å; I189-Y272 HydrophobicContact CB-CE1 4.18Å; I189-Y272 HydrophobicContact CB-CE2 3.7Å; I189-Y272 HydrophobicContact CG1-CD2 4.01Å; I189-Y272 HydrophobicContact CG1-CE1 4.42Å; I189-Y272 HydrophobicContact CG1-CE2 3.23Å; I189-Y272 VanDerWaalsContact CG1-CZ 3.48Å; I189-Y272 HydrophobicContact CG2-CE1 4.39Å; I189-Y272 PolarHBondContact N-O 3.05Å; I189-Y272 PolarHBondContact O-N 3.08Å
190Y98.9Very high95.7Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-119.6144.9-177.8-68.9-99.6000111.1I146 F182 L186 G188 F192 I237 L238 L240 F269 L270I146-Y190 HydrophobicContact CD1-CE1 4.31Å; I146-Y190 HydrophobicContact CG2-CE1 4.22Å; F182-Y190 HydrophobicContact CE1-CD1 4.22Å; F182-Y190 HydrophobicContact CE1-CE1 4.12Å; F182-Y190 HydrophobicContact CZ-CD1 4.03Å; F182-Y190 AromaticContact CZ-CE1 3.69Å; F182-Y190 HydrophobicContact CZ-CE1 3.69Å; L186-Y190 WeakPolarHBondContact O-CE2 3.46Å; L186-Y190 PolarHBondContact O-OH 2.94Å; G188-Y190 WeakPolarHBondContact O-CD2 2.79Å; Y190-F192 VanDerWaalsContact CB-CE2 3.44Å; Y190-F192 HydrophobicContact CD1-CZ 4.46Å; Y190-F192 HydrophobicContact CG-CE2 4.38Å; Y190-F192 HydrophobicContact CG-CZ 4.36Å; Y190-I237 CarbonylContact O-C 3.46Å; Y190-I237 VanDerWaalsContact O-CA 3.31Å; Y190-I237 WeakPolarHBondContact O-CA 3.43Å; Y190-L238 PolarHBondContact N-O 3.34Å; Y190-L238 PolarHBondContact O-N 2.76Å; Y190-L240 HydrophobicContact CD1-CD1 4.49Å; Y190-L240 HydrophobicContact CD2-CB 3.88Å; Y190-L240 HydrophobicContact CD2-CD1 3.71Å; Y190-L240 HydrophobicContact CD2-CG 3.84Å; Y190-L240 HydrophobicContact CE2-CB 4.02Å; Y190-L240 HydrophobicContact CE2-CD1 4.22Å; Y190-L240 HydrophobicContact CE2-CG 4.43Å; Y190-L240 HydrophobicContact CG-CD1 3.86Å; Y190-L240 HydrophobicContact CG-CG 4.37Å; Y190-F269 WeakPolarHBondContact CA-O 3.36Å; Y190-L270 HydrophobicContact CD1-CB 4.08Å; Y190-L270 HydrophobicContact CD1-CD1 4.3Å; Y190-L270 HydrophobicContact CD2-CD1 4.2Å; Y190-L270 HydrophobicContact CE1-CB 3.73Å; Y190-L270 HydrophobicContact CE1-CD1 3.85Å; Y190-L270 HydrophobicContact CE1-CG 4.39Å; Y190-L270 HydrophobicContact CE2-CD1 3.74Å; Y190-L270 HydrophobicContact CG-CD1 4.46Å
191Y98.9Very high94.3Very high64 Ų6426.6 Ų26.625%0.25114%0.137SC..EExtended strand (participates in β ladder)trans-101.6139.7168.4175.4-99.3000109.9T193 I237 G268 F269Y191-T193 HydrophobicContact CE1-CG2 3.74Å; Y191-T193 WeakPolarHBondContact OH-CB 3.17Å; Y191-I237 HydrophobicContact CD2-CG1 4.02Å; Y191-G268 CarbonylContact O-C 3.57Å; Y191-G268 WeakPolarHBondContact O-CA 3.38Å; Y191-F269 AromaticContact CD1-CD1 3.98Å; Y191-F269 HydrophobicContact CD1-CD1 3.98Å; Y191-F269 AromaticContact CD1-CE1 3.3Å; Y191-F269 HydrophobicContact CD1-CE1 3.3Å; Y191-F269 AromaticContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CE1-CE1 4.06Å; Y191-F269 AromaticContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CZ 4Å; Y191-F269 PolarHBondContact N-O 3.02Å; Y191-F269 PolarHBondContact O-N 2.94Å
192F98.9Very high92.6Very high0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-134.3143.6170.7-60.3-86.4000110.6F148 F182 Y190 L210 S235 V236 L240 V246 F266 S267F148-F192 HydrophobicContact CE1-CD1 4.05Å; F148-F192 AromaticContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CZ-CD1 4.16Å; F148-F192 HydrophobicContact CZ-CE1 4.29Å; F182-F192 HydrophobicContact CB-CE1 4.3Å; F182-F192 AromaticContact CD1-CE1 3.84Å; F182-F192 HydrophobicContact CD1-CE1 3.84Å; F182-F192 AromaticContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CE1-CE1 4.33Å; F182-F192 AromaticContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CG-CE1 4.01Å; F182-F192 HydrophobicContact CG-CZ 4.4Å; Y190-F192 VanDerWaalsContact CB-CE2 3.44Å; Y190-F192 HydrophobicContact CD1-CZ 4.46Å; Y190-F192 HydrophobicContact CG-CE2 4.38Å; Y190-F192 HydrophobicContact CG-CZ 4.36Å; F192-L210 HydrophobicContact CB-CD1 3.6Å; F192-L210 HydrophobicContact CG-CD1 4.32Å; F192-S235 CarbonylContact O-C 3.56Å; F192-S235 WeakPolarHBondContact O-CA 3.32Å; F192-S235 VanDerWaalsContact O-CB 3.32Å; F192-S235 WeakPolarHBondContact O-CB 3.17Å; F192-V236 HydrophobicContact CB-CG1 4.17Å; F192-V236 HydrophobicContact CD2-CG1 4.44Å; F192-V236 PolarHBondContact N-O 2.91Å; F192-V236 PolarHBondContact O-N 3.4Å; F192-L240 HydrophobicContact CE2-CD1 3.82Å; F192-L240 HydrophobicContact CZ-CD1 3.7Å; F192-V246 HydrophobicContact CD1-CG1 4.1Å; F192-V246 HydrophobicContact CD2-CG1 4.3Å; F192-V246 HydrophobicContact CE1-CB 4.14Å; F192-V246 HydrophobicContact CE1-CG1 4.09Å; F192-V246 HydrophobicContact CE1-CG2 4.45Å; F192-V246 HydrophobicContact CE2-CB 4.49Å; F192-V246 HydrophobicContact CE2-CG1 4.3Å; F192-V246 HydrophobicContact CE2-CG2 4.04Å; F192-V246 HydrophobicContact CG-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CB 4.08Å; F192-V246 HydrophobicContact CZ-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CG2 3.88Å; F192-F266 HydrophobicContact CB-CE2 4.2Å; F192-F266 HydrophobicContact CD1-CE2 4.06Å; F192-F266 AromaticContact CD1-CZ 3.95Å; F192-F266 HydrophobicContact CD1-CZ 3.95Å; F192-S267 WeakPolarHBondContact CA-O 3.45Å
193T98.9Very high90.9Very high17 Ų1732.6 Ų32.610%0.10418%0.18CC..EExtended strand (participates in β ladder)trans-142.4144.4169.8-172.40000110.7Y191 N234 F266 S267Y191-T193 HydrophobicContact CE1-CG2 3.74Å; Y191-T193 WeakPolarHBondContact OH-CB 3.17Å; T193-N234 PolarHBondContact OG1-O 2.99Å; T193-F266 WeakPolarHBondContact O-CD2 3.29Å; T193-S267 WeakPolarHBondContact CG2-OG 3.44Å; T193-S267 PolarHBondContact N-O 3.18Å; T193-S267 PolarHBondContact O-N 3.47Å
194Y98.8Very high89.6Confident0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-134.8148.417564.5-85.4000110.7V196 A208 L210 A220 S233 N234 V248 T265Y194-V196 HydrophobicContact CD2-CG2 3.97Å; Y194-A208 HydrophobicContact CD2-CB 4.07Å; Y194-A208 HydrophobicContact CE2-CB 3.51Å; Y194-A208 PolarHBondContact OH-O 3.4Å; Y194-L210 HydrophobicContact CD1-CB 4.05Å; Y194-L210 HydrophobicContact CD1-CD1 4.05Å; Y194-L210 HydrophobicContact CE1-CB 3.64Å; Y194-L210 HydrophobicContact CE1-CD1 4.31Å; Y194-A220 HydrophobicContact CE2-CB 4.25Å; Y194-A220 PolarHBondContact OH-N 3.38Å; Y194-S233 VanDerWaalsContact O-CA 3.27Å; Y194-S233 WeakPolarHBondContact O-CA 3.46Å; Y194-S233 WeakPolarHBondContact O-CB 3.44Å; Y194-N234 WeakPolarHBondContact CD1-O 3.49Å; Y194-N234 HydrophobicContact CE1-CB 3.67Å; Y194-N234 HydrophobicContact CE2-CB 4.37Å; Y194-N234 PolarHBondContact N-O 3.29Å; Y194-N234 PolarHBondContact O-N 3.46Å; Y194-N234 VanDerWaalsContact OH-CB 3.32Å; Y194-N234 WeakPolarHBondContact OH-CB 3.41Å; Y194-V248 HydrophobicContact CD1-CG2 4.16Å; Y194-V248 HydrophobicContact CD2-CG1 4.22Å; Y194-V248 HydrophobicContact CG-CG1 4.38Å; Y194-V248 HydrophobicContact CG-CG2 3.94Å; Y194-T265 WeakPolarHBondContact CA-O 3.44Å
195H98.2Very high88.7Confident77 Ų7735 Ų3536%0.35620%0.196SC..EExtended strand (participates in β ladder)trans-134.5117.2173.3-60-80.3000106.7Y231 S233 S264 T265H195-Y231 HydrophobicContact CB-CD1 4.16Å; H195-Y231 HydrophobicContact CB-CE1 3.98Å; H195-S233 VanDerWaalsContact ND1-CB 3.29Å; H195-S233 WeakPolarHBondContact ND1-CB 3.23Å; H195-S233 PolarHBondContact ND1-OG 3.18Å; H195-S264 CarbonylContact O-C 3.56Å; H195-S264 VanDerWaalsContact O-CA 3.23Å; H195-S264 WeakPolarHBondContact O-CA 3.46Å; H195-T265 PolarHBondContact N-O 2.97Å; H195-T265 PolarHBondContact O-N 3.39Å
196V96.1Very high88.1Confident0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-121.4114.8-175.1-178.30000108.7L162 F164 Y194 M198 A208 Y231 A232 V248 V255L162-V196 HydrophobicContact CD1-CG1 3.94Å; L162-V196 HydrophobicContact CD1-CG2 3.92Å; F164-V196 HydrophobicContact CZ-CG2 4.26Å; Y194-V196 HydrophobicContact CD2-CG2 3.97Å; V196-M198 HydrophobicContact CB-CE 3.97Å; V196-M198 HydrophobicContact CB-CG 4.43Å; V196-M198 HydrophobicContact CG1-CE 3.53Å; V196-M198 HydrophobicContact CG1-CG 3.78Å; V196-M198 PolarHBondContact O-N 3.31Å; V196-A208 HydrophobicContact CB-CB 4.3Å; V196-A208 HydrophobicContact CG2-CB 4.09Å; V196-Y231 WeakPolarHBondContact O-CA 3.45Å; V196-Y231 WeakPolarHBondContact O-CD1 3.46Å; V196-A232 PolarHBondContact N-O 3.15Å; V196-A232 PolarHBondContact O-N 3.21Å; V196-V248 HydrophobicContact CG2-CG1 4.39Å; V196-V255 HydrophobicContact CG1-CB 4.15Å; V196-V255 HydrophobicContact CG1-CG1 3.39Å; V196-V255 HydrophobicContact CG1-CG2 3.58Å
197L93.7Very high87.8Confident20 Ų2034.7 Ų34.711%0.10519%0.187CC..EExtended strand (participates in β ladder)trans-77.8107.3172.5177.965.6000108.4Y229 Y231 H256 Y263 S264L197-Y229 HydrophobicContact CD1-CD1 3.98Å; L197-Y229 HydrophobicContact CD1-CG 4.43Å; L197-Y229 HydrophobicContact CD2-CD1 4.21Å; L197-Y229 HydrophobicContact CG-CD1 3.99Å; L197-Y231 HydrophobicContact CB-CE1 4.03Å; L197-Y231 HydrophobicContact CB-CE2 4.31Å; L197-Y231 HydrophobicContact CD1-CD2 4.1Å; L197-Y231 HydrophobicContact CD1-CE2 3.77Å; L197-H256 HydrophobicContact CD2-CB 4.2Å; L197-H256 HydrophobicContact CG-CB 4.48Å; L197-H256 PolarHBondContact O-N 3Å; L197-Y263 HydrophobicContact CD2-CD1 3.91Å; L197-Y263 HydrophobicContact CD2-CG 3.99Å; L197-S264 PolarHBondContact N-OG 3.43Å
198M89.4Confident87.7Confident0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-103.8151.4-177.6-61-172166.600110.8V196 M206 A208 A222 Y229 D230 A232 L250 K254 V255V196-M198 HydrophobicContact CB-CE 3.97Å; V196-M198 HydrophobicContact CB-CG 4.43Å; V196-M198 HydrophobicContact CG1-CE 3.53Å; V196-M198 HydrophobicContact CG1-CG 3.78Å; V196-M198 PolarHBondContact O-N 3.31Å; M198-M206 HydrophobicContact CB-CE 3.53Å; M198-M206 HydrophobicContact CB-SD 3.83Å; M198-M206 HydrophobicContact SD-CB 3.7Å; M198-M206 HydrophobicContact SD-CE 4.39Å; M198-M206 HydrophobicContact SD-SD 4.42Å; M198-A208 HydrophobicContact CE-CB 3.35Å; M198-A222 HydrophobicContact SD-CB 4.14Å; M198-Y229 VanDerWaalsContact O-CA 3.32Å; M198-Y229 WeakPolarHBondContact O-CA 3.35Å; M198-D230 PolarHBondContact N-O 3.32Å; M198-D230 PolarHBondContact O-N 3.2Å; M198-A232 HydrophobicContact CE-CB 3.63Å; M198-A232 HydrophobicContact CG-CB 4.45Å; M198-A232 HydrophobicContact SD-CB 3.61Å; M198-L250 HydrophobicContact CE-CD1 3.4Å; M198-L250 HydrophobicContact SD-CD1 4.25Å; M198-K254 CarbonylContact C-O 3.55Å; M198-K254 WeakPolarHBondContact CA-O 3.5Å; M198-V255 HydrophobicContact CE-CG2 4.5Å; M198-V255 HydrophobicContact CG-CG2 4.36Å
199R84.3Confident87.7Confident96 Ų9633.8 Ų33.836%0.36218%0.18SC..EExtended strand (participates in β ladder)trans-120.8117.3167.2-172.6179.6179.3176-6.9109.2Q227 Y229 K254R199-Q227 PolarHBondContact NE-O 3.17Å; R199-Y229 HydrophobicContact CB-CD1 4.04Å; R199-Y229 HydrophobicContact CB-CE1 3.83Å; R199-Y229 HydrophobicContact CG-CD1 4.48Å; R199-Y229 HydrophobicContact CG-CE1 4.21Å; R199-K254 PolarHBondContact N-O 3.45Å; R199-K254 PolarHBondContact O-N 3.38Å
200G70Confident87.7Confident1 Ų132.6 Ų32.61%0.0117%0.174CC..  trans-66.8151.618000000113M206 Q227 N228G200-M206 VanDerWaalsContact CA-CE 3.41Å; G200-M206 WeakPolarHBondContact CA-SD 3.27Å; G200-M206 VanDerWaalsContact N-CE 3.34Å; G200-Q227 WeakPolarHBondContact O-CA 3.35Å; G200-Q227 VanDerWaalsContact O-CD 3.32Å; G200-Q227 PolarHBondContact O-OE1 3.01Å; G200-N228 PolarHBondContact N-O 2.83Å
201G67.3Low87.7Confident20 Ų2034 Ų3421%0.20618%0.18CC..  trans-86.6176157.200000111.2G203 T204 Q227G201-G203 PolarHBondContact O-N 3.26Å; G201-T204 PolarHBondContact O-N 2.99Å; G201-Q227 VanDerWaalsContact CA-NE2 3.29Å
202D63.6Low87.7Confident135 Ų13532.8 Ų32.872%0.72218%0.176SC*.THydrogen-bonded Turntrans-54.189.3-177.9-60-22.8000112.6T204 Q227D202-T204 VanDerWaalsContact C-N 3.29Å; D202-T204 PolarHBondContact O-N 3.46Å; D202-Q227 WeakPolarHBondContact OD1-CG 3.21Å; D202-Q227 PolarHBondContact OD1-NE2 2.91Å
203G62.2Low87.6Confident39 Ų3936.9 Ų36.940%0.40220%0.198SC..THydrogen-bonded Turntrans70.111.3178.200000116.6G201G201-G203 PolarHBondContact O-N 3.26Å
204T72.8Confident87.5Confident77 Ų7738.8 Ų38.847%0.47222%0.221SC..  trans-88123.6179550000111.8G201 D202G201-T204 PolarHBondContact O-N 2.99Å; D202-T204 VanDerWaalsContact C-N 3.29Å; D202-T204 PolarHBondContact O-N 3.46Å
205S78.6Confident87.5Confident30 Ų3044.9 Ų44.921%0.2125%0.249CC..  trans-60.3145169.4-570000111.4W207 Q223S205-W207 VanDerWaalsContact CB-CZ2 3.43Å; S205-W207 VanDerWaalsContact O-CZ3 3.28Å; S205-W207 WeakPolarHBondContact O-CZ3 3.44Å; S205-Q223 VanDerWaalsContact OG-CD 3.27Å; S205-Q223 PolarHBondContact OG-OE1 3.1Å
206M86.9Confident87.5Confident1 Ų144.5 Ų44.51%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-126.5145.1175.6-54.3171.4-71.600109.1M198 G200 I221 A222 G253M198-M206 HydrophobicContact CB-CE 3.53Å; M198-M206 HydrophobicContact CB-SD 3.83Å; M198-M206 HydrophobicContact SD-CB 3.7Å; M198-M206 HydrophobicContact SD-CE 4.39Å; M198-M206 HydrophobicContact SD-SD 4.42Å; G200-M206 VanDerWaalsContact CA-CE 3.41Å; G200-M206 WeakPolarHBondContact CA-SD 3.27Å; G200-M206 VanDerWaalsContact N-CE 3.34Å; M206-I221 WeakPolarHBondContact O-CA 3.3Å; M206-A222 HydrophobicContact CE-CB 4.07Å; M206-A222 PolarHBondContact N-O 3.42Å; M206-A222 PolarHBondContact O-N 3.42Å; M206-G253 VanDerWaalsContact SD-CA 3.53Å
207W91.7Very high87.6Confident86 Ų8650.7 Ų50.733%0.32628%0.276SS..EExtended strand (participates in β ladder)trans-125.8140.9178.2-57.4-97.6000111.5S205 A220 I221 L250 D251S205-W207 VanDerWaalsContact CB-CZ2 3.43Å; S205-W207 VanDerWaalsContact O-CZ3 3.28Å; S205-W207 WeakPolarHBondContact O-CZ3 3.44Å; W207-A220 VanDerWaalsContact CA-O 3.31Å; W207-A220 WeakPolarHBondContact CA-O 3.46Å; W207-I221 HydrophobicContact CZ2-CD1 4.02Å; W207-L250 CarbonylContact O-C 3.6Å; W207-L250 WeakPolarHBondContact O-CA 3.49Å; W207-D251 HydrophobicContact CB-CB 4.18Å; W207-D251 HydrophobicContact CE3-CB 4.17Å; W207-D251 PolarHBondContact N-O 3.07Å; W207-D251 PolarHBondContact O-N 3.37Å
208A95.6Very high87.8Confident0 Ų050.3 Ų50.30%028%0.275CS..EExtended strand (participates in β ladder)trans-110.5116.5160.100000108.1Y194 V196 M198 A220 A232 V248Y194-A208 HydrophobicContact CD2-CB 4.07Å; Y194-A208 HydrophobicContact CE2-CB 3.51Å; Y194-A208 PolarHBondContact OH-O 3.4Å; V196-A208 HydrophobicContact CB-CB 4.3Å; V196-A208 HydrophobicContact CG2-CB 4.09Å; M198-A208 HydrophobicContact CE-CB 3.35Å; A208-A220 PolarHBondContact N-O 3.22Å; A208-A220 PolarHBondContact O-N 3.36Å; A208-A232 HydrophobicContact CB-CB 3.92Å; A208-V248 HydrophobicContact CB-CG1 4.04Å
209D97.6Very high88.2Confident21 Ų2152.7 Ų52.711%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-108.2121.8-178.7-72.8-14.7000110.2K211 V216 S219 V248 Q249D209-K211 HydrophobicContact CB-CG 4.28Å; D209-V216 HydrophobicContact CB-CG1 4.18Å; D209-V216 HydrophobicContact CB-CG2 4.06Å; D209-V216 WeakPolarHBondContact OD2-CG2 3.44Å; D209-S219 WeakPolarHBondContact OD1-CB 3.34Å; D209-S219 PolarHBondContact OD1-OG 3.44Å; D209-V248 CarbonylContact O-C 3.5Å; D209-V248 WeakPolarHBondContact O-CA 3.43Å; D209-Q249 PolarHBondContact N-O 3.46Å; D209-Q249 PolarHBondContact O-N 3.05Å
210L98.7Very high88.8Confident0 Ų048.6 Ų48.60%028%0.279CS..EExtended strand (participates in β ladder)trans-81.1119.6164.2-175.6154.8000109.1F192 Y194 R217 A218 V236 L238 V246 C247 F266F192-L210 HydrophobicContact CB-CD1 3.6Å; F192-L210 HydrophobicContact CG-CD1 4.32Å; Y194-L210 HydrophobicContact CD1-CB 4.05Å; Y194-L210 HydrophobicContact CD1-CD1 4.05Å; Y194-L210 HydrophobicContact CE1-CB 3.64Å; Y194-L210 HydrophobicContact CE1-CD1 4.31Å; L210-R217 HydrophobicContact CD2-CB 4.2Å; L210-R217 PolarHBondContact O-N 2.92Å; L210-A218 HydrophobicContact CB-CB 4.38Å; L210-A218 PolarHBondContact N-O 3.3Å; L210-A218 PolarHBondContact O-N 3.33Å; L210-V236 HydrophobicContact CD1-CG1 3.84Å; L210-V236 HydrophobicContact CD2-CG1 3.75Å; L210-V236 HydrophobicContact CG-CG1 4.41Å; L210-L238 HydrophobicContact CD2-CD1 4.06Å; L210-V246 HydrophobicContact CD1-CG1 4.21Å; L210-V246 HydrophobicContact CD2-CG1 3.69Å; L210-V246 HydrophobicContact CG-CG1 3.91Å; L210-C247 CarbonylContact C-O 3.49Å; L210-C247 WeakPolarHBondContact CA-O 3.37Å; L210-F266 HydrophobicContact CD1-CE2 4.03Å
211K98.8Very high89.9Confident30 Ų3053.1 Ų53.113%0.1330%0.302CS..EExtended strand (participates in β ladder)trans-112.7136.5-177.1-65.4-175.3176.9-175.20111.6D209 Q215 V216 V246 C247 Q249D209-K211 HydrophobicContact CB-CG 4.28Å; K211-Q215 CarbonylContact C-O 3.22Å; K211-Q215 WeakPolarHBondContact CA-O 3.48Å; K211-V216 HydrophobicContact CD-CG2 4.44Å; K211-V216 HydrophobicContact CG-CG2 4.11Å; K211-V246 VanDerWaalsContact O-CA 3.28Å; K211-V246 WeakPolarHBondContact O-CA 3.15Å; K211-C247 PolarHBondContact N-O 3.01Å; K211-C247 PolarHBondContact O-N 3.3Å; K211-Q249 HydrophobicContact CD-CB 4.11Å
212K98.8Very high90.7Very high39 Ų3952.2 Ų52.217%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-105.4118165178.2-175.5177.8171.90107.9G214 Q215 R217 L238 H239 L240 D244 E245K212-G214 PolarHBondContact O-N 2.97Å; K212-G214 VanDerWaalsContact O-N 3.15Å; K212-Q215 PolarHBondContact N-O 3.23Å; K212-Q215 PolarHBondContact O-N 3.26Å; K212-R217 HydrophobicContact CB-CG 3.56Å; K212-L238 HydrophobicContact CB-CD1 4.47Å; K212-H239 PolarHBondContact NZ-O 3.49Å; K212-L240 HydrophobicContact CD-CD2 3.78Å; K212-L240 HydrophobicContact CG-CD2 4.15Å; K212-D244 WeakPolarHBondContact CE-OD2 3.32Å; K212-D244 IonicContact NZ-OD2 3.49Å; K212-D244 PolarHBondContact NZ-OD2 3.35Å; K212-E245 CarbonylContact C-O 3.58Å; K212-E245 WeakPolarHBondContact CA-O 3.45Å
213N98.3Very high91.5Very high85 Ų8551.4 Ų51.446%0.45528%0.284SS..THydrogen-bonded Turntrans4842.4-178.9-58.7-21.2000113.3Q215 D244 E245N213-Q215 VanDerWaalsContact C-N 3.28Å; N213-Q215 PolarHBondContact O-N 2.93Å; N213-D244 PolarHBondContact ND2-OD1 3.03Å; N213-D244 WeakPolarHBondContact OD1-CA 3.45Å; N213-E245 PolarHBondContact N-O 3.45Å; N213-E245 PolarHBondContact OD1-N 3.12Å
214G96.8Very high91.9Very high57 Ų5751.6 Ų51.659%0.58828%0.276SS*.THydrogen-bonded Turntrans80.8-8.9-178.500000116K212K212-G214 PolarHBondContact O-N 2.97Å; K212-G214 VanDerWaalsContact O-N 3.15Å
215Q98.1Very high91.5Very high129 Ų12951.1 Ų51.160%0.60328%0.28SS*.EExtended strand (participates in β ladder)trans-92.2130.9175.2-64.4-173.39.900111.7K211 K212 N213 R217K211-Q215 CarbonylContact C-O 3.22Å; K211-Q215 WeakPolarHBondContact CA-O 3.48Å; K212-Q215 PolarHBondContact N-O 3.23Å; K212-Q215 PolarHBondContact O-N 3.26Å; N213-Q215 VanDerWaalsContact C-N 3.28Å; N213-Q215 PolarHBondContact O-N 2.93Å; Q215-R217 PolarHBondContact O-N 2.93Å
216V98.3Very high91Very high69 Ų6956 Ų5642%0.41830%0.303SS..EExtended strand (participates in β ladder)trans-64.7126.3175.4-177.40000110D209 K211D209-V216 HydrophobicContact CB-CG1 4.18Å; D209-V216 HydrophobicContact CB-CG2 4.06Å; D209-V216 WeakPolarHBondContact OD2-CG2 3.44Å; K211-V216 HydrophobicContact CD-CG2 4.44Å; K211-V216 HydrophobicContact CG-CG2 4.11Å
217R98.6Very high90.2Very high130 Ų13059.4 Ų59.449%0.49132%0.319SS..EExtended strand (participates in β ladder)trans-113.1-28.4176.7-54.2-51.7-63.6176.8-2.1112.5L210 K212 Q215 L238L210-R217 HydrophobicContact CD2-CB 4.2Å; L210-R217 PolarHBondContact O-N 2.92Å; K212-R217 HydrophobicContact CB-CG 3.56Å; Q215-R217 PolarHBondContact O-N 2.93Å; R217-L238 HydrophobicContact CB-CD1 4.11Å; R217-L238 HydrophobicContact CB-CD2 4.1Å; R217-L238 HydrophobicContact CG-CD1 4.05Å; R217-L238 HydrophobicContact CG-CD2 4.22Å
218A98.4Very high89.6Confident12 Ų1259.5 Ų59.510%0.09933%0.326CS..EExtended strand (participates in β ladder)trans-145.5145.9169.400000108.6L210 N234 V236L210-A218 HydrophobicContact CB-CB 4.38Å; L210-A218 PolarHBondContact N-O 3.3Å; L210-A218 PolarHBondContact O-N 3.33Å; A218-N234 HydrophobicContact CB-CB 4.33Å; A218-V236 HydrophobicContact CB-CB 4.19Å
219S97.6Very high89.2Confident49 Ų4964.5 Ų64.534%0.34335%0.346SS..EExtended strand (participates in β ladder)trans-136.7147179.3-175.80000109.1D209 N234D209-S219 WeakPolarHBondContact OD1-CB 3.34Å; D209-S219 PolarHBondContact OD1-OG 3.44Å; S219-N234 PolarHBondContact O-ND2 3.39Å
220A96.4Very high88.9Confident11 Ų1166.7 Ų66.79%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-133.1134.4170.200000108.4Y194 W207 A208 A232 S233 N234Y194-A220 HydrophobicContact CE2-CB 4.25Å; Y194-A220 PolarHBondContact OH-N 3.38Å; W207-A220 VanDerWaalsContact CA-O 3.31Å; W207-A220 WeakPolarHBondContact CA-O 3.46Å; A208-A220 PolarHBondContact N-O 3.22Å; A208-A220 PolarHBondContact O-N 3.36Å; A220-A232 HydrophobicContact CB-CB 3.82Å; A220-S233 WeakPolarHBondContact CB-O 3.36Å; A220-N234 HydrophobicContact CB-CB 4.27Å
221I91.9Very high88.6Confident96 Ų9671 Ų7149%0.49238%0.375SS..EExtended strand (participates in β ladder)trans-103.8137.3177.1-171.3175.1000109.2M206 W207M206-I221 WeakPolarHBondContact O-CA 3.3Å; W207-I221 HydrophobicContact CZ2-CD1 4.02Å
222A85.4Confident88.4Confident1 Ų169.6 Ų69.61%0.00837%0.368CS..EExtended strand (participates in β ladder)trans-122.4130165.900000108M198 M206 D230 A232M198-A222 HydrophobicContact SD-CB 4.14Å; M206-A222 HydrophobicContact CE-CB 4.07Å; M206-A222 PolarHBondContact N-O 3.42Å; M206-A222 PolarHBondContact O-N 3.42Å; A222-D230 HydrophobicContact CB-CB 4.14Å; A222-A232 HydrophobicContact CB-CB 4.24Å
223Q80.8Confident88.4Confident117 Ų11769.9 Ų69.955%0.54738%0.376SS..  trans-142.8118.8178.6-176176.76.500109.1S205S205-Q223 VanDerWaalsContact OG-CD 3.27Å; S205-Q223 PolarHBondContact OG-OE1 3.1Å
224D70.4Confident88.4Confident43 Ų4368.9 Ų68.923%0.2337%0.37CS..  trans-125.9145.1171-156.5-40.7000108.8D226 N228D224-D226 VanDerWaalsContact C-N 3.35Å; D224-D226 PolarHBondContact OD1-N 3.46Å; D224-D226 VanDerWaalsContact OD1-N 3.15Å; D224-N228 HydrophobicContact CB-CB 4.18Å; D224-N228 WeakPolarHBondContact OD2-CB 3.48Å; D224-N228 PolarHBondContact OD2-ND2 3.28Å
225A64Low88.5Confident68 Ų6868.7 Ų68.756%0.56236%0.36SS*.SBendtrans-74-30.1178.200000111.5
226D67.8Low88.5Confident131 Ų13163.7 Ų63.770%0.70134%0.338SS*.SBendtrans-121.362.8-163.6-65.5-29.8000113D224 N228D224-D226 VanDerWaalsContact C-N 3.35Å; D224-D226 PolarHBondContact OD1-N 3.46Å; D224-D226 VanDerWaalsContact OD1-N 3.15Å; D226-N228 WeakPolarHBondContact O-CA 3.28Å; D226-N228 WeakPolarHBondContact O-CB 3.33Å; D226-N228 PolarHBondContact O-N 3.44Å
227Q70.3Confident88.5Confident73 Ų7365.5 Ų65.534%0.34134%0.344SS..SBendtrans43.826.6169.7-69.2-81.9-19.200115.8R199 G200 G201 D202R199-Q227 PolarHBondContact NE-O 3.17Å; G200-Q227 WeakPolarHBondContact O-CA 3.35Å; G200-Q227 VanDerWaalsContact O-CD 3.32Å; G200-Q227 PolarHBondContact O-OE1 3.01Å; G201-Q227 VanDerWaalsContact CA-NE2 3.29Å; D202-Q227 WeakPolarHBondContact OD1-CG 3.21Å; D202-Q227 PolarHBondContact OD1-NE2 2.91Å
228N79.6Confident88.5Confident89 Ų8960 Ų6048%0.47632%0.324SS..  trans-94.8172.3-165.7-144.322.3000110.1G200 D224 D226G200-N228 PolarHBondContact N-O 2.83Å; D224-N228 HydrophobicContact CB-CB 4.18Å; D224-N228 WeakPolarHBondContact OD2-CB 3.48Å; D224-N228 PolarHBondContact OD2-ND2 3.28Å; D226-N228 WeakPolarHBondContact O-CA 3.28Å; D226-N228 WeakPolarHBondContact O-CB 3.33Å; D226-N228 PolarHBondContact O-N 3.44Å
229Y87.6Confident88.6Confident105 Ų10562.8 Ų62.841%0.41234%0.335SS..EExtended strand (participates in β ladder)trans-92.3130.4178.2-73-84.5000111.3L197 M198 R199 H256L197-Y229 HydrophobicContact CD1-CD1 3.98Å; L197-Y229 HydrophobicContact CD1-CG 4.43Å; L197-Y229 HydrophobicContact CD2-CD1 4.21Å; L197-Y229 HydrophobicContact CG-CD1 3.99Å; M198-Y229 VanDerWaalsContact O-CA 3.32Å; M198-Y229 WeakPolarHBondContact O-CA 3.35Å; R199-Y229 HydrophobicContact CB-CD1 4.04Å; R199-Y229 HydrophobicContact CB-CE1 3.83Å; R199-Y229 HydrophobicContact CG-CD1 4.48Å; R199-Y229 HydrophobicContact CG-CE1 4.21Å; Y229-H256 HydrophobicContact CE1-CB 4.37Å; Y229-H256 AromaticContact CE1-CD2 3.45Å; Y229-H256 VanDerWaalsContact CE1-CD2 3.45Å; Y229-H256 WeakPolarHBondContact CE1-CD2 3.18Å; Y229-H256 AromaticContact CE1-CG 3.88Å; Y229-H256 AromaticContact CE1-NE2 3.85Å
230D90.2Very high88.6Confident66 Ų6660.5 Ų60.535%0.35332%0.319SS..EExtended strand (participates in β ladder)trans-144162.1175-166.214.9000110.9M198 A222M198-D230 PolarHBondContact N-O 3.32Å; M198-D230 PolarHBondContact O-N 3.2Å; A222-D230 HydrophobicContact CB-CB 4.14Å
231Y93.1Very high88.7Confident91 Ų9164 Ų6436%0.35734%0.336SS..EExtended strand (participates in β ladder)trans-104.1125.1-178.3-95.3-82.6000112.3H195 V196 L197 Y263H195-Y231 HydrophobicContact CB-CD1 4.16Å; H195-Y231 HydrophobicContact CB-CE1 3.98Å; V196-Y231 WeakPolarHBondContact O-CA 3.45Å; V196-Y231 WeakPolarHBondContact O-CD1 3.46Å; L197-Y231 HydrophobicContact CB-CE1 4.03Å; L197-Y231 HydrophobicContact CB-CE2 4.31Å; L197-Y231 HydrophobicContact CD1-CD2 4.1Å; L197-Y231 HydrophobicContact CD1-CE2 3.77Å; Y231-Y263 WeakPolarHBondContact CE1-O 3.17Å; Y231-Y263 VanDerWaalsContact CZ-O 3.32Å; Y231-Y263 WeakPolarHBondContact OH-CA 3.47Å; Y231-Y263 PolarHBondContact OH-O 3.22Å
232A94.6Very high89.1Confident0 Ų064 Ų640%034%0.341CS..EExtended strand (participates in β ladder)trans-97.8107.6160.500000108.6V196 M198 A208 A220 A222V196-A232 PolarHBondContact N-O 3.15Å; V196-A232 PolarHBondContact O-N 3.21Å; M198-A232 HydrophobicContact CE-CB 3.63Å; M198-A232 HydrophobicContact CG-CB 4.45Å; M198-A232 HydrophobicContact SD-CB 3.61Å; A208-A232 HydrophobicContact CB-CB 3.92Å; A220-A232 HydrophobicContact CB-CB 3.82Å; A222-A232 HydrophobicContact CB-CB 4.24Å
233S97.7Very high89.7Confident46 Ų4666 Ų6632%0.32236%0.362SS..EExtended strand (participates in β ladder)trans-129.6137-178.1-56.30000111.3Y194 H195 A220Y194-S233 VanDerWaalsContact O-CA 3.27Å; Y194-S233 WeakPolarHBondContact O-CA 3.46Å; Y194-S233 WeakPolarHBondContact O-CB 3.44Å; H195-S233 VanDerWaalsContact ND1-CB 3.29Å; H195-S233 WeakPolarHBondContact ND1-CB 3.23Å; H195-S233 PolarHBondContact ND1-OG 3.18Å; A220-S233 WeakPolarHBondContact CB-O 3.36Å
234N98.7Very high90.5Very high63 Ų6361.3 Ų61.334%0.33734%0.34SS..EExtended strand (participates in β ladder)trans-154168.9170.4-147.5-26.8000110.7T193 Y194 A218 S219 A220T193-N234 PolarHBondContact OG1-O 2.99Å; Y194-N234 WeakPolarHBondContact CD1-O 3.49Å; Y194-N234 HydrophobicContact CE1-CB 3.67Å; Y194-N234 HydrophobicContact CE2-CB 4.37Å; Y194-N234 PolarHBondContact N-O 3.29Å; Y194-N234 PolarHBondContact O-N 3.46Å; Y194-N234 VanDerWaalsContact OH-CB 3.32Å; Y194-N234 WeakPolarHBondContact OH-CB 3.41Å; A218-N234 HydrophobicContact CB-CB 4.33Å; S219-N234 PolarHBondContact O-ND2 3.39Å; A220-N234 HydrophobicContact CB-CB 4.27Å
235S98.8Very high91.9Very high53 Ų5362.6 Ų62.637%0.37135%0.345SS..EExtended strand (participates in β ladder)trans-139.3158.5174.765.30000111F192F192-S235 CarbonylContact O-C 3.56Å; F192-S235 WeakPolarHBondContact O-CA 3.32Å; F192-S235 VanDerWaalsContact O-CB 3.32Å; F192-S235 WeakPolarHBondContact O-CB 3.17Å
236V98.8Very high93.6Very high24 Ų2459.3 Ų59.315%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-151.7147.9-179.369.90000110.9F192 L210 A218 L238F192-V236 HydrophobicContact CB-CG1 4.17Å; F192-V236 HydrophobicContact CD2-CG1 4.44Å; F192-V236 PolarHBondContact N-O 2.91Å; F192-V236 PolarHBondContact O-N 3.4Å; L210-V236 HydrophobicContact CD1-CG1 3.84Å; L210-V236 HydrophobicContact CD2-CG1 3.75Å; L210-V236 HydrophobicContact CG-CG1 4.41Å; A218-V236 HydrophobicContact CB-CB 4.19Å; V236-L238 HydrophobicContact CB-CG 4.45Å; V236-L238 HydrophobicContact CG1-CD1 3.83Å; V236-L238 HydrophobicContact CG1-CG 3.88Å; V236-L238 HydrophobicContact CG2-CD1 4.4Å; V236-L238 HydrophobicContact CG2-CD2 3.69Å; V236-L238 HydrophobicContact CG2-CG 3.78Å
237I98.9Very high95Very high107 Ų10753.6 Ų53.655%0.54929%0.288SS..EExtended strand (participates in β ladder)trans-106.9124.6166.4-62.8173.2000107.3I189 Y190 Y191 I271I189-I237 HydrophobicContact CG2-CG2 3.32Å; Y190-I237 CarbonylContact O-C 3.46Å; Y190-I237 VanDerWaalsContact O-CA 3.31Å; Y190-I237 WeakPolarHBondContact O-CA 3.43Å; Y191-I237 HydrophobicContact CD2-CG1 4.02Å; I237-I271 HydrophobicContact CD1-CD1 4.36Å; I237-I271 HydrophobicContact CG1-CD1 4.32Å; I237-I271 HydrophobicContact CG2-CD1 4.12Å
238L98.8Very high96.4Very high14 Ų1450.1 Ų50.17%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-130139.2-176.9-65.3174.6000110.7Y190 L210 K212 R217 V236 L240Y190-L238 PolarHBondContact N-O 3.34Å; Y190-L238 PolarHBondContact O-N 2.76Å; L210-L238 HydrophobicContact CD2-CD1 4.06Å; K212-L238 HydrophobicContact CB-CD1 4.47Å; R217-L238 HydrophobicContact CB-CD1 4.11Å; R217-L238 HydrophobicContact CB-CD2 4.1Å; R217-L238 HydrophobicContact CG-CD1 4.05Å; R217-L238 HydrophobicContact CG-CD2 4.22Å; V236-L238 HydrophobicContact CB-CG 4.45Å; V236-L238 HydrophobicContact CG1-CD1 3.83Å; V236-L238 HydrophobicContact CG1-CG 3.88Å; V236-L238 HydrophobicContact CG2-CD1 4.4Å; V236-L238 HydrophobicContact CG2-CD2 3.69Å; V236-L238 HydrophobicContact CG2-CG 3.78Å; L238-L240 HydrophobicContact CB-CD2 4.13Å
239H98.8Very high97.2Very high72 Ų7248.1 Ų48.133%0.33326%0.259SS..EExtended strand (participates in β ladder)trans-75.3132.5156.4-177.9-84.8000109.3G188 I189 K212 D241 D274G188-H239 WeakPolarHBondContact O-CA 3.13Å; I189-H239 HydrophobicContact CD1-CB 3.59Å; K212-H239 PolarHBondContact NZ-O 3.49Å; H239-D241 IonicContact CE1-OD1 3.15Å; H239-D241 PolarHBondContact CE1-OD1 3.04Å; H239-D274 IonicContact CD2-OD1 2.9Å; H239-D274 IonicContact CD2-OD2 3.98Å; H239-D274 IonicContact CE1-OD2 3.54Å; H239-D274 IonicContact NE2-OD1 2.74Å; H239-D274 PolarHBondContact NE2-OD1 3.35Å; H239-D274 IonicContact NE2-OD2 2.76Å; H239-D274 PolarHBondContact NE2-OD2 3.01Å
240L98.9Very high97.4Very high0 Ų043.2 Ų43.20%024%0.24CC..EExtended strand (participates in β ladder)trans-125.6142.7176.9-59.1-177.2000109.9F182 C184 P187 G188 Y190 F192 K212 L238 D244 V246F182-L240 HydrophobicContact CD1-CD1 4.33Å; F182-L240 HydrophobicContact CE1-CD1 3.92Å; C184-L240 HydrophobicContact CB-CB 3.92Å; C184-L240 HydrophobicContact CB-CD1 4.09Å; C184-L240 VanDerWaalsContact SG-CB 3.52Å; P187-L240 WeakPolarHBondContact CA-O 3.38Å; G188-L240 PolarHBondContact N-O 2.75Å; G188-L240 VanDerWaalsContact N-O 3.16Å; G188-L240 PolarHBondContact O-N 3.28Å; Y190-L240 HydrophobicContact CD1-CD1 4.49Å; Y190-L240 HydrophobicContact CD2-CB 3.88Å; Y190-L240 HydrophobicContact CD2-CD1 3.71Å; Y190-L240 HydrophobicContact CD2-CG 3.84Å; Y190-L240 HydrophobicContact CE2-CB 4.02Å; Y190-L240 HydrophobicContact CE2-CD1 4.22Å; Y190-L240 HydrophobicContact CE2-CG 4.43Å; Y190-L240 HydrophobicContact CG-CD1 3.86Å; Y190-L240 HydrophobicContact CG-CG 4.37Å; F192-L240 HydrophobicContact CE2-CD1 3.82Å; F192-L240 HydrophobicContact CZ-CD1 3.7Å; K212-L240 HydrophobicContact CD-CD2 3.78Å; K212-L240 HydrophobicContact CG-CD2 4.15Å; L238-L240 HydrophobicContact CB-CD2 4.13Å; L240-D244 WeakPolarHBondContact CA-OD2 3.12Å; L240-D244 HydrophobicContact CB-CB 4.25Å; L240-D244 HydrophobicContact CD2-CB 4.12Å; L240-V246 HydrophobicContact CD1-CG2 3.86Å; L240-V246 HydrophobicContact CD2-CG2 3.83Å
241D98.8Very high97.3Very high84 Ų8443.5 Ų43.545%0.44924%0.242SC..  trans-97.7161.4167.8-68.4-55.9000110.3C184 H239 G243 D244C184-D241 WeakPolarHBondContact CB-O 3.31Å; C184-D241 PolarHBondContact SG-O 2.7Å; H239-D241 IonicContact CE1-OD1 3.15Å; H239-D241 PolarHBondContact CE1-OD1 3.04Å; D241-G243 PolarHBondContact O-N 3.34Å; D241-D244 PolarHBondContact N-OD2 3.41Å; D241-D244 VanDerWaalsContact O-CB 3.31Å; D241-D244 WeakPolarHBondContact O-CB 3.22Å; D241-D244 PolarHBondContact O-N 2.96Å
242V98.6Very high96.8Very high98 Ų9840.2 Ų40.259%0.59424%0.235SC*.THydrogen-bonded Turntrans-56.5128.3176.9-177.90000110.2C184C184-V242 WeakPolarHBondContact O-CA 3.38Å
243G98.6Very high96.1Very high43 Ų4341.2 Ų41.244%0.44325%0.246SC..THydrogen-bonded Turntrans91.1-9.4-17900000114.8C184 D241 E245C184-G243 PolarHBondContact O-N 3.42Å; D241-G243 PolarHBondContact O-N 3.34Å; G243-E245 PolarHBondContact O-N 2.97Å
244D98.9Very high95.6Very high17 Ų1743.9 Ų43.99%0.09125%0.252CS..  trans-60.1133.2173.4-78.6-23.2000111T183 C184 K212 N213 L240 D241T183-D244 WeakPolarHBondContact CA-O 3.46Å; C184-D244 HydrophobicContact CB-CB 4.09Å; C184-D244 WeakPolarHBondContact CB-O 3.28Å; C184-D244 PolarHBondContact N-O 2.9Å; K212-D244 WeakPolarHBondContact CE-OD2 3.32Å; K212-D244 IonicContact NZ-OD2 3.49Å; K212-D244 PolarHBondContact NZ-OD2 3.35Å; N213-D244 PolarHBondContact ND2-OD1 3.03Å; N213-D244 WeakPolarHBondContact OD1-CA 3.45Å; L240-D244 WeakPolarHBondContact CA-OD2 3.12Å; L240-D244 HydrophobicContact CB-CB 4.25Å; L240-D244 HydrophobicContact CD2-CB 4.12Å; D241-D244 PolarHBondContact N-OD2 3.41Å; D241-D244 VanDerWaalsContact O-CB 3.31Å; D241-D244 WeakPolarHBondContact O-CB 3.22Å; D241-D244 PolarHBondContact O-N 2.96Å
245E98.8Very high95.2Very high70 Ų7040.9 Ų40.933%0.32724%0.236SC..EExtended strand (participates in β ladder)trans-103.5129.9178.4-64.2-174.4134.500110.9K181 F182 K212 N213 G243K181-E245 HydrophobicContact CD-CB 4.36Å; K181-E245 HydrophobicContact CD-CG 4.33Å; K181-E245 VanDerWaalsContact CD-OE1 3.29Å; K181-E245 WeakPolarHBondContact CD-OE1 3.32Å; K181-E245 IonicContact NZ-OE1 3.88Å; K181-E245 PolarHBondContact NZ-OE1 3.05Å; K181-E245 IonicContact NZ-OE2 3.42Å; K181-E245 PolarHBondContact NZ-OE2 3.02Å; F182-E245 CarbonylContact O-C 3.53Å; F182-E245 WeakPolarHBondContact O-CA 3.39Å; K212-E245 CarbonylContact C-O 3.58Å; K212-E245 WeakPolarHBondContact CA-O 3.45Å; N213-E245 PolarHBondContact N-O 3.45Å; N213-E245 PolarHBondContact OD1-N 3.12Å; G243-E245 PolarHBondContact O-N 2.97Å
246V98.9Very high94.8Very high0 Ų039.2 Ų39.20%022%0.222CC..EExtended strand (participates in β ladder)trans-117.4130.5173-174.70000110K181 F182 F192 L210 K211 L240 F266K181-V246 WeakPolarHBondContact CA-O 3.47Å; F182-V246 HydrophobicContact CB-CB 4.5Å; F182-V246 PolarHBondContact N-O 2.98Å; F182-V246 PolarHBondContact O-N 3.06Å; F192-V246 HydrophobicContact CD1-CG1 4.1Å; F192-V246 HydrophobicContact CD2-CG1 4.3Å; F192-V246 HydrophobicContact CE1-CB 4.14Å; F192-V246 HydrophobicContact CE1-CG1 4.09Å; F192-V246 HydrophobicContact CE1-CG2 4.45Å; F192-V246 HydrophobicContact CE2-CB 4.49Å; F192-V246 HydrophobicContact CE2-CG1 4.3Å; F192-V246 HydrophobicContact CE2-CG2 4.04Å; F192-V246 HydrophobicContact CG-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CB 4.08Å; F192-V246 HydrophobicContact CZ-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CG2 3.88Å; L210-V246 HydrophobicContact CD1-CG1 4.21Å; L210-V246 HydrophobicContact CD2-CG1 3.69Å; L210-V246 HydrophobicContact CG-CG1 3.91Å; K211-V246 VanDerWaalsContact O-CA 3.28Å; K211-V246 WeakPolarHBondContact O-CA 3.15Å; L240-V246 HydrophobicContact CD1-CG2 3.86Å; L240-V246 HydrophobicContact CD2-CG2 3.83Å; V246-F266 HydrophobicContact CG1-CZ 4.18Å
247C98.7Very high94.4Very high10 Ų1038.2 Ų38.27%0.06822%0.216CC..EExtended strand (participates in β ladder)trans-148.4165.5178.264.90000111.7I161 K181 L210 K211I161-C247 HydrophobicContact CG2-CB 3.91Å; K181-C247 HydrophobicContact CG-CB 4.05Å; L210-C247 CarbonylContact C-O 3.49Å; L210-C247 WeakPolarHBondContact CA-O 3.37Å; K211-C247 PolarHBondContact N-O 3.01Å; K211-C247 PolarHBondContact O-N 3.3Å
248V98.3Very high93.9Very high0 Ų034.9 Ų34.90%021%0.209CC..EExtended strand (participates in β ladder)trans-105.2125.3169.3-175.70000108.2L162 F164 Y194 V196 A208 D209 F266L162-V248 HydrophobicContact CD1-CG1 4.04Å; L162-V248 PolarHBondContact N-O 3.49Å; F164-V248 HydrophobicContact CE2-CB 4.07Å; F164-V248 HydrophobicContact CE2-CG2 4.29Å; F164-V248 HydrophobicContact CZ-CB 4.44Å; Y194-V248 HydrophobicContact CD1-CG2 4.16Å; Y194-V248 HydrophobicContact CD2-CG1 4.22Å; Y194-V248 HydrophobicContact CG-CG1 4.38Å; Y194-V248 HydrophobicContact CG-CG2 3.94Å; V196-V248 HydrophobicContact CG2-CG1 4.39Å; A208-V248 HydrophobicContact CB-CG1 4.04Å; D209-V248 CarbonylContact O-C 3.5Å; D209-V248 WeakPolarHBondContact O-CA 3.43Å; V248-F266 HydrophobicContact CG2-CD1 4.27Å; V248-F266 HydrophobicContact CG2-CD2 3.79Å; V248-F266 HydrophobicContact CG2-CE1 4.39Å; V248-F266 HydrophobicContact CG2-CE2 3.93Å; V248-F266 HydrophobicContact CG2-CG 3.99Å; V248-F266 HydrophobicContact CG2-CZ 4.24Å
249Q96.1Very high93.6Very high48 Ų4840.8 Ų40.822%0.22424%0.24CC..EExtended strand (participates in β ladder)trans-112.3132.9176.5-176.1176.4-23.800109.5D209 K211D209-Q249 PolarHBondContact N-O 3.46Å; D209-Q249 PolarHBondContact O-N 3.05Å; K211-Q249 HydrophobicContact CD-CB 4.11Å
250L92.1Very high93.3Very high1 Ų140.9 Ų40.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-77.4141.3169.7-171.665.4000109.3G158 S159 E160 L162 M198 W207 G252 V255G158-L250 VanDerWaalsContact O-CD2 3.3Å; G158-L250 WeakPolarHBondContact O-CD2 3.31Å; G158-L250 WeakPolarHBondContact O-CG 3.39Å; S159-L250 VanDerWaalsContact CA-O 3.28Å; S159-L250 WeakPolarHBondContact CA-O 3.43Å; E160-L250 PolarHBondContact O-N 2.94Å; L162-L250 HydrophobicContact CD2-CB 4.05Å; L162-L250 HydrophobicContact CG-CB 4.33Å; M198-L250 HydrophobicContact CE-CD1 3.4Å; M198-L250 HydrophobicContact SD-CD1 4.25Å; W207-L250 CarbonylContact O-C 3.6Å; W207-L250 WeakPolarHBondContact O-CA 3.49Å; L250-G252 VanDerWaalsContact CD1-O 3.22Å; L250-G252 WeakPolarHBondContact CD1-O 3.28Å; L250-G252 WeakPolarHBondContact CG-O 3.31Å; L250-V255 HydrophobicContact CD1-CG2 3.56Å; L250-V255 HydrophobicContact CD2-CG2 3.72Å; L250-V255 HydrophobicContact CG-CG2 4.22Å
251D87.8Confident93.1Very high72 Ų7242.4 Ų42.439%0.38525%0.254SS..EExtended strand (participates in β ladder)trans-123.698.1162.2-164.119000109S159 W207S159-D251 PolarHBondContact OG-OD1 2.99Å; W207-D251 HydrophobicContact CB-CB 4.18Å; W207-D251 HydrophobicContact CE3-CB 4.17Å; W207-D251 PolarHBondContact N-O 3.07Å; W207-D251 PolarHBondContact O-N 3.37Å
252G82.8Confident93Very high22 Ų2242.3 Ų42.323%0.22725%0.249CC..SBendtrans78.5159.8-177.600000114.7G158 L250G158-G252 PolarHBondContact O-N 2.7Å; G158-G252 VanDerWaalsContact O-N 3.13Å; L250-G252 VanDerWaalsContact CD1-O 3.22Å; L250-G252 WeakPolarHBondContact CD1-O 3.28Å; L250-G252 WeakPolarHBondContact CG-O 3.31Å
253G81.6Confident92.9Very high21 Ų2142.7 Ų42.722%0.21624%0.241CC..SBendtrans85.1-171.2177.100000115.4E157 G158 M206E157-G253 WeakPolarHBondContact CA-O 3.39Å; G158-G253 PolarHBondContact N-O 2.95Å; M206-G253 VanDerWaalsContact SD-CA 3.53Å
254K86.6Confident92.8Very high103 Ų10340.7 Ų40.745%0.44822%0.22SC..EExtended strand (participates in β ladder)trans-124141.2176.3-63.7-170.7178.1-158.60110.3H156 E157 M198 R199H156-K254 WeakPolarHBondContact O-CA 3.43Å; E157-K254 HydrophobicContact CB-CG 4.02Å; E157-K254 WeakPolarHBondContact OE2-CE 3.46Å; E157-K254 IonicContact OE2-NZ 2.61Å; E157-K254 PolarHBondContact OE2-NZ 3.37Å; E157-K254 VanDerWaalsContact OE2-NZ 3.15Å; M198-K254 CarbonylContact C-O 3.55Å; M198-K254 WeakPolarHBondContact CA-O 3.5Å; R199-K254 PolarHBondContact N-O 3.45Å; R199-K254 PolarHBondContact O-N 3.38Å
255V90.1Very high92.8Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-113.7139.2-1801800000110.9L152 Q155 H156 L162 V196 M198 L250 S264L152-V255 HydrophobicContact CD2-CB 4.24Å; L152-V255 HydrophobicContact CD2-CG1 3.4Å; Q155-V255 WeakPolarHBondContact CA-O 3.48Å; H156-V255 HydrophobicContact CB-CB 4.5Å; H156-V255 PolarHBondContact O-N 3.32Å; L162-V255 HydrophobicContact CD1-CG1 4.44Å; L162-V255 HydrophobicContact CD1-CG2 4.27Å; L162-V255 HydrophobicContact CD2-CB 4.28Å; L162-V255 HydrophobicContact CD2-CG2 4.03Å; V196-V255 HydrophobicContact CG1-CB 4.15Å; V196-V255 HydrophobicContact CG1-CG1 3.39Å; V196-V255 HydrophobicContact CG1-CG2 3.58Å; M198-V255 HydrophobicContact CE-CG2 4.5Å; M198-V255 HydrophobicContact CG-CG2 4.36Å; L250-V255 HydrophobicContact CD1-CG2 3.56Å; L250-V255 HydrophobicContact CD2-CG2 3.72Å; L250-V255 HydrophobicContact CG-CG2 4.22Å; V255-S264 WeakPolarHBondContact CG1-OG 3.31Å
256H90.3Very high92.8Very high18 Ų1837.1 Ų37.18%0.08320%0.204CC..  trans-121.5133.4-176.6-66.1-86.7000112.9Q155 L197 Y229 S264Q155-H256 PolarHBondContact NE2-ND1 2.65Å; Q155-H256 VanDerWaalsContact NE2-ND1 3.15Å; L197-H256 HydrophobicContact CD2-CB 4.2Å; L197-H256 HydrophobicContact CG-CB 4.48Å; L197-H256 PolarHBondContact O-N 3Å; Y229-H256 HydrophobicContact CE1-CB 4.37Å; Y229-H256 AromaticContact CE1-CD2 3.45Å; Y229-H256 VanDerWaalsContact CE1-CD2 3.45Å; Y229-H256 WeakPolarHBondContact CE1-CD2 3.18Å; Y229-H256 AromaticContact CE1-CG 3.88Å; Y229-H256 AromaticContact CE1-NE2 3.85Å; H256-S264 WeakPolarHBondContact O-CB 3.34Å; H256-S264 PolarHBondContact O-OG 3.4Å
257G89.8Confident92.8Very high2 Ų238.2 Ų38.22%0.02121%0.212CC..  trans-79.7-18.6169.900000115L152 N261 K262 Y263L152-G257 WeakPolarHBondContact O-CA 3.23Å; G257-N261 CarbonylContact O-C 3.54Å; G257-N261 WeakPolarHBondContact O-CA 3.06Å; G257-N261 PolarHBondContact O-N 2.88Å; G257-K262 PolarHBondContact O-N 3.4Å; G257-Y263 WeakPolarHBondContact O-CD2 3.36Å; G257-Y263 PolarHBondContact O-N 3.22Å
258G89.6Confident92.8Very high38 Ų3837.9 Ų37.939%0.39221%0.209SC..  trans65.9-170.4-167.400000113T260G258-T260 PolarHBondContact O-N 3.45Å
259N91.3Very high92.8Very high138 Ų13842.2 Ų42.274%0.73823%0.229SC*.THydrogen-bonded Turntrans-72.7-23.2-175.360.5-13.1000114.4
260T92.8Very high93Very high74 Ų7440.8 Ų40.845%0.45422%0.222SC..THydrogen-bonded Turntrans-105.91.7-179.156.80000113.4G258 K262G258-T260 PolarHBondContact O-N 3.45Å; T260-K262 WeakPolarHBondContact O-CG 3.38Å; T260-K262 PolarHBondContact O-N 3.04Å; T260-K262 PolarHBondContact O-NZ 3.31Å
261N95.4Very high93.3Very high32 Ų3244.3 Ų44.317%0.17124%0.24CC..SBendtrans62.911.7-173-46-34000114.3G151 L152 R153 D166 G257G151-N261 CarbonylContact C-O 3.54Å; G151-N261 WeakPolarHBondContact CA-O 3.31Å; L152-N261 PolarHBondContact N-O 3.19Å; L152-N261 VanDerWaalsContact O-CA 3.24Å; L152-N261 WeakPolarHBondContact O-CA 3.35Å; L152-N261 VanDerWaalsContact O-CB 3.26Å; L152-N261 WeakPolarHBondContact O-CB 3.18Å; R153-N261 HydrophobicContact CB-CB 4.47Å; D166-N261 HydrophobicContact CB-CB 3.99Å; D166-N261 WeakPolarHBondContact OD2-CB 3.22Å; G257-N261 CarbonylContact O-C 3.54Å; G257-N261 WeakPolarHBondContact O-CA 3.06Å; G257-N261 PolarHBondContact O-N 2.88Å
262K96.1Very high93.7Very high81 Ų8147.2 Ų47.235%0.35225%0.247SC..  trans-105.41.2-173.6-58.1-55.7175.7-72.40114.8Y149 D166 G257 T260 T265Y149-K262 HydrophobicContact CE1-CD 4.31Å; D166-K262 IonicContact OD2-NZ 3.69Å; D166-K262 PolarHBondContact OD2-NZ 2.82Å; G257-K262 PolarHBondContact O-N 3.4Å; T260-K262 WeakPolarHBondContact O-CG 3.38Å; T260-K262 PolarHBondContact O-N 3.04Å; T260-K262 PolarHBondContact O-NZ 3.31Å; K262-T265 WeakPolarHBondContact O-CG2 3.32Å
263Y95.9Very high94.4Very high107 Ų10748.8 Ų48.842%0.4225%0.253SS..SBendtrans-76.3-36.2178.5-73.9-94.5000112.1L197 Y231 G257L197-Y263 HydrophobicContact CD2-CD1 3.91Å; L197-Y263 HydrophobicContact CD2-CG 3.99Å; Y231-Y263 WeakPolarHBondContact CE1-O 3.17Å; Y231-Y263 VanDerWaalsContact CZ-O 3.32Å; Y231-Y263 WeakPolarHBondContact OH-CA 3.47Å; Y231-Y263 PolarHBondContact OH-O 3.22Å; G257-Y263 WeakPolarHBondContact O-CD2 3.36Å; G257-Y263 PolarHBondContact O-N 3.22Å
264S97.3Very high95Very high0 Ų054.6 Ų54.60%028%0.279CS..SBendtrans-108.7123.7172.7-66.40000109.9G151 L152 H195 L197 V255 H256G151-S264 CarbonylContact C-O 3.57Å; G151-S264 WeakPolarHBondContact CA-O 3.5Å; L152-S264 PolarHBondContact N-O 2.8Å; H195-S264 CarbonylContact O-C 3.56Å; H195-S264 VanDerWaalsContact O-CA 3.23Å; H195-S264 WeakPolarHBondContact O-CA 3.46Å; L197-S264 PolarHBondContact N-OG 3.43Å; V255-S264 WeakPolarHBondContact CG1-OG 3.31Å; H256-S264 WeakPolarHBondContact O-CB 3.34Å; H256-S264 PolarHBondContact O-OG 3.4Å
265T98.7Very high95.4Very high13 Ų1352.2 Ų52.28%0.0827%0.271CS..EExtended strand (participates in β ladder)trans-139.7147.2-170.862.90000112Y149 A150 Y194 H195 K262Y149-T265 HydrophobicContact CE2-CG2 3.97Å; Y149-T265 VanDerWaalsContact OH-CG2 3.27Å; Y149-T265 WeakPolarHBondContact OH-CG2 3.33Å; A150-T265 VanDerWaalsContact O-CA 3.3Å; A150-T265 WeakPolarHBondContact O-CA 3.46Å; Y194-T265 WeakPolarHBondContact CA-O 3.44Å; H195-T265 PolarHBondContact N-O 2.97Å; H195-T265 PolarHBondContact O-N 3.39Å; K262-T265 WeakPolarHBondContact O-CG2 3.32Å
266F98.8Very high95.7Very high0 Ų054.9 Ų54.90%029%0.285CS..EExtended strand (participates in β ladder)trans-134135.8169.8-179.1-143.4000109.7F148 A150 F164 Y175 F192 T193 L210 V246 V248F148-F266 AromaticContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD2 4.49Å; F148-F266 AromaticContact CE2-CE1 3.8Å; F148-F266 HydrophobicContact CE2-CE1 3.8Å; F148-F266 AromaticContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CZ 4.33Å; F148-F266 AromaticContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD2 4.35Å; F148-F266 AromaticContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE2 4.1Å; F148-F266 HydrophobicContact CZ-CG 4.22Å; F148-F266 AromaticContact CZ-CZ 3.71Å; F148-F266 HydrophobicContact CZ-CZ 3.71Å; A150-F266 PolarHBondContact N-O 3.38Å; A150-F266 PolarHBondContact O-N 2.9Å; F164-F266 HydrophobicContact CD1-CB 4.06Å; F164-F266 HydrophobicContact CD2-CB 3.56Å; F164-F266 HydrophobicContact CD2-CD1 4.15Å; F164-F266 HydrophobicContact CD2-CG 4.28Å; F164-F266 HydrophobicContact CE1-CB 4.03Å; F164-F266 HydrophobicContact CE2-CB 3.53Å; F164-F266 HydrophobicContact CE2-CD1 4.26Å; F164-F266 HydrophobicContact CE2-CG 4.16Å; F164-F266 HydrophobicContact CG-CB 3.84Å; F164-F266 HydrophobicContact CZ-CB 3.77Å; Y175-F266 AromaticContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CE1 4.17Å; F192-F266 HydrophobicContact CB-CE2 4.2Å; F192-F266 HydrophobicContact CD1-CE2 4.06Å; F192-F266 AromaticContact CD1-CZ 3.95Å; F192-F266 HydrophobicContact CD1-CZ 3.95Å; T193-F266 WeakPolarHBondContact O-CD2 3.29Å; L210-F266 HydrophobicContact CD1-CE2 4.03Å; V246-F266 HydrophobicContact CG1-CZ 4.18Å; V248-F266 HydrophobicContact CG2-CD1 4.27Å; V248-F266 HydrophobicContact CG2-CD2 3.79Å; V248-F266 HydrophobicContact CG2-CE1 4.39Å; V248-F266 HydrophobicContact CG2-CE2 3.93Å; V248-F266 HydrophobicContact CG2-CG 3.99Å; V248-F266 HydrophobicContact CG2-CZ 4.24Å
267S98.9Very high96Very high23 Ų2356.9 Ų56.916%0.16130%0.296CS..EExtended strand (participates in β ladder)trans-149.3158-179.261.20000111.9F148 F192 T193F148-S267 VanDerWaalsContact O-CA 3.26Å; F148-S267 WeakPolarHBondContact O-CA 3.31Å; F148-S267 VanDerWaalsContact O-CB 3.29Å; F148-S267 WeakPolarHBondContact O-CB 3.48Å; F192-S267 WeakPolarHBondContact CA-O 3.45Å; T193-S267 WeakPolarHBondContact CG2-OG 3.44Å; T193-S267 PolarHBondContact N-O 3.18Å; T193-S267 PolarHBondContact O-N 3.47Å
268G98.8Very high96.4Very high2 Ų260.2 Ų60.22%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-171.7163.2174.700000112.6A147 F148 Y191A147-G268 CarbonylContact C-O 3.14Å; A147-G268 VanDerWaalsContact CA-O 3.32Å; A147-G268 WeakPolarHBondContact CA-O 3.4Å; F148-G268 WeakPolarHBondContact CD1-O 3.44Å; F148-G268 PolarHBondContact N-O 2.84Å; F148-G268 PolarHBondContact O-N 2.86Å; F148-G268 VanDerWaalsContact O-N 3.09Å; Y191-G268 CarbonylContact O-C 3.57Å; Y191-G268 WeakPolarHBondContact O-CA 3.38Å
269F98.8Very high96.8Very high92 Ų9261.6 Ų61.640%0.40431%0.307SS..EExtended strand (participates in β ladder)trans-155.8156.6-178.758.6-92.1000112I146 A147 Y190 Y191 I271I146-F269 CarbonylContact O-C 3.5Å; I146-F269 WeakPolarHBondContact O-CA 3.25Å; I146-F269 WeakPolarHBondContact O-CB 3.34Å; A147-F269 HydrophobicContact CB-CB 3.81Å; Y190-F269 WeakPolarHBondContact CA-O 3.36Å; Y191-F269 AromaticContact CD1-CD1 3.98Å; Y191-F269 HydrophobicContact CD1-CD1 3.98Å; Y191-F269 AromaticContact CD1-CE1 3.3Å; Y191-F269 HydrophobicContact CD1-CE1 3.3Å; Y191-F269 AromaticContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CE1-CE1 4.06Å; Y191-F269 AromaticContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CZ 4Å; Y191-F269 PolarHBondContact N-O 3.02Å; Y191-F269 PolarHBondContact O-N 2.94Å; F269-I271 HydrophobicContact CD2-CG1 4.48Å; F269-I271 HydrophobicContact CE2-CG1 4.14Å
270L98.7Very high97.1Very high18 Ų1856.5 Ų56.59%0.09428%0.278CS..EExtended strand (participates in β ladder)trans-71.2125.9170176.669.6000109.4P144 I146 L186 Y190 Y272 P273P144-L270 HydrophobicContact CB-CD2 3.94Å; P144-L270 HydrophobicContact CG-CD2 3.7Å; I146-L270 HydrophobicContact CB-CB 3.97Å; I146-L270 HydrophobicContact CD1-CB 4.45Å; I146-L270 HydrophobicContact CD1-CD2 4.24Å; I146-L270 PolarHBondContact O-N 3.04Å; L186-L270 HydrophobicContact CD2-CD2 4.33Å; Y190-L270 HydrophobicContact CD1-CB 4.08Å; Y190-L270 HydrophobicContact CD1-CD1 4.3Å; Y190-L270 HydrophobicContact CD2-CD1 4.2Å; Y190-L270 HydrophobicContact CE1-CB 3.73Å; Y190-L270 HydrophobicContact CE1-CD1 3.85Å; Y190-L270 HydrophobicContact CE1-CG 4.39Å; Y190-L270 HydrophobicContact CE2-CD1 3.74Å; Y190-L270 HydrophobicContact CG-CD1 4.46Å; L270-Y272 WeakPolarHBondContact CD1-O 3.18Å; L270-P273 HydrophobicContact CD2-CB 4.45Å
271I98.4Very high97.5Very high75 Ų7555.2 Ų55.239%0.38527%0.266SS..EExtended strand (participates in β ladder)trans-83-54.7172.2-47-173.2000109.2I189 I237 F269I189-I271 HydrophobicContact CG2-CB 4.42Å; I189-I271 HydrophobicContact CG2-CD1 3.92Å; I189-I271 HydrophobicContact CG2-CG1 4.35Å; I189-I271 WeakPolarHBondContact O-CB 3.37Å; I189-I271 PolarHBondContact O-N 3.05Å; I237-I271 HydrophobicContact CD1-CD1 4.36Å; I237-I271 HydrophobicContact CG1-CD1 4.32Å; I237-I271 HydrophobicContact CG2-CD1 4.12Å; F269-I271 HydrophobicContact CD2-CG1 4.48Å; F269-I271 HydrophobicContact CE2-CG1 4.14Å
272Y96.8Very high97.6Very high133 Ų13357 Ų5752%0.52227%0.273SS..EExtended strand (participates in β ladder)trans-155.2142.3173.347.4-95.3000110.7G188 I189 L270G188-Y272 WeakPolarHBondContact CA-O 3.43Å; I189-Y272 HydrophobicContact CB-CD2 4.13Å; I189-Y272 HydrophobicContact CB-CE1 4.18Å; I189-Y272 HydrophobicContact CB-CE2 3.7Å; I189-Y272 HydrophobicContact CG1-CD2 4.01Å; I189-Y272 HydrophobicContact CG1-CE1 4.42Å; I189-Y272 HydrophobicContact CG1-CE2 3.23Å; I189-Y272 VanDerWaalsContact CG1-CZ 3.48Å; I189-Y272 HydrophobicContact CG2-CE1 4.39Å; I189-Y272 PolarHBondContact N-O 3.05Å; I189-Y272 PolarHBondContact O-N 3.08Å; L270-Y272 WeakPolarHBondContact CD1-O 3.18Å
273P96.9Very high97.7Very high54 Ų5455 Ų5535%0.35127%0.267SS..EExtended strand (participates in β ladder)trans-71.6160171.534.1-36000110.7P144 L186 L270P144-P273 HydrophobicContact CG-CB 4.1Å; P144-P273 HydrophobicContact CG-CG 3.84Å; L186-P273 HydrophobicContact CD2-CB 3.77Å; L186-P273 HydrophobicContact CG-CB 4.47Å; L270-P273 HydrophobicContact CD2-CB 4.45Å
274D94.9Very high97.9Very high143 Ų14350.3 Ų50.377%0.76525%0.253SS*.  trans-67.40168.8-70.9-8.5000113P187 G188 H239P187-D274 HydrophobicContact CB-CB 4.49Å; P187-D274 PolarHBondContact O-N 2.86Å; P187-D274 VanDerWaalsContact O-N 3.11Å; G188-D274 WeakPolarHBondContact CA-OD1 3.32Å; H239-D274 IonicContact CD2-OD1 2.9Å; H239-D274 IonicContact CD2-OD2 3.98Å; H239-D274 IonicContact CE1-OD2 3.54Å; H239-D274 IonicContact NE2-OD1 2.74Å; H239-D274 PolarHBondContact NE2-OD1 3.35Å; H239-D274 IonicContact NE2-OD2 2.76Å; H239-D274 PolarHBondContact NE2-OD2 3.01Å

Retrieved 274 of 274 residues in 60.3 ms (Link to these results)