A0A096N1Y0_PAPAN Loading...

Glycosyltransferase 8 domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A096N1Y0, Species PAPAN (Papio anubis, Olive baboon), Gene GLT8D1, Length 371 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
1M50.1Low64.5Low230 Ų230134.5 Ų134.5100%1.13366%0.661SS**  0119.70-81.5164.185.200108.3
2S47.7Very low66.4Low80 Ų80131 Ų13156%0.55965%0.653SS**  trans-66.3133.8-168.1170.90000113.3R4 K5S2-R4 PolarHBondContact O-N 3.3Å; S2-K5 PolarHBondContact O-N 3.21Å
3F50.8Low68.1Low186 Ų186129.6 Ų129.682%0.81665%0.648SS**Hα-helixtrans-47.8-20.3176.4-84.7-92.1000114.9K5F3-K5 PolarHBondContact O-N 3.36Å
4R56.1Low69.4Low208 Ų208124.5 Ų124.579%0.78564%0.636SS**Hα-helixtrans-64.9-32.4173.5-95.8-179.5165176.7-4.4114S2 I8S2-R4 PolarHBondContact O-N 3.3Å; R4-I8 WeakPolarHBondContact O-CG1 3.44Å
5K54.5Low70.8Confident146 Ų146121.2 Ų121.264%0.63562%0.624SS**Hα-helixtrans-74.2-31.3-179-74.3-171.1176-174.20112.6S2 F3 I8 I9S2-K5 PolarHBondContact O-N 3.21Å; F3-K5 PolarHBondContact O-N 3.36Å; K5-I8 PolarHBondContact O-N 2.88Å; K5-I9 WeakPolarHBondContact O-CG1 3.43Å; K5-I9 PolarHBondContact O-N 3.13Å
6V57.6Low72Confident81 Ų81116.4 Ų116.449%0.49161%0.608SS.*Hα-helixtrans-69.5-40-179.8-179.60000111.1I8 I9 I10V6-I8 PolarHBondContact O-N 2.85Å; V6-I9 PolarHBondContact O-N 2.9Å; V6-I10 HydrophobicContact CG1-CD1 4.06Å; V6-I10 WeakPolarHBondContact O-CG1 3.34Å; V6-I10 PolarHBondContact O-N 3.22Å; V6-I10 VanDerWaalsContact O-N 3.14Å
7N66.7Low73Confident117 Ų117116.7 Ų116.763%0.62661%0.609SS**Hα-helixtrans-66.7-33.6176.7-82.2-4.2000113.5L11N7-L11 WeakPolarHBondContact O-CB 3.46Å; N7-L11 PolarHBondContact O-N 3.01Å; N7-L11 VanDerWaalsContact O-N 3.08Å
8I79Confident74Confident108 Ų108117.7 Ų117.755%0.55461%0.609SS**Hα-helixtrans-69.3-41.3177-66170.4000110.4R4 K5 V6 I10 L11 V12R4-I8 WeakPolarHBondContact O-CG1 3.44Å; K5-I8 PolarHBondContact O-N 2.88Å; V6-I8 PolarHBondContact O-N 2.85Å; I8-I10 PolarHBondContact O-N 2.79Å; I8-L11 PolarHBondContact O-N 2.88Å; I8-V12 HydrophobicContact CG2-CG2 4.35Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.15Å; I8-V12 PolarHBondContact O-N 3.41Å
9I81.5Confident74.7Confident103 Ų103116.8 Ų116.853%0.52860%0.604SS.*Hα-helixtrans-63.6-42.9178.6-66.8166.4000110.9K5 V6 L11 V12 L13K5-I9 WeakPolarHBondContact O-CG1 3.43Å; K5-I9 PolarHBondContact O-N 3.13Å; V6-I9 PolarHBondContact O-N 2.9Å; I9-L11 PolarHBondContact O-N 3.27Å; I9-V12 PolarHBondContact O-N 2.84Å; I9-L13 HydrophobicContact CG2-CD1 4.05Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.02Å
10I82.8Confident75.2Confident101 Ų101116.9 Ų116.952%0.51861%0.605SS.*Hα-helixtrans-63.6-42177.3-66.2168.7000110.9V6 I8 L13 A14V6-I10 HydrophobicContact CG1-CD1 4.06Å; V6-I10 WeakPolarHBondContact O-CG1 3.34Å; V6-I10 PolarHBondContact O-N 3.22Å; V6-I10 VanDerWaalsContact O-N 3.14Å; I8-I10 PolarHBondContact O-N 2.79Å; I10-L13 PolarHBondContact O-N 2.68Å; I10-A14 WeakPolarHBondContact O-CB 3.38Å; I10-A14 PolarHBondContact O-N 3.14Å
11L82.8Confident75.6Confident120 Ų120115.1 Ų115.163%0.62860%0.599SS**Hα-helixtrans-63.5-42.9177.4-166.180.1000111.6N7 I8 I9 L13 A14 V15N7-L11 WeakPolarHBondContact O-CB 3.46Å; N7-L11 PolarHBondContact O-N 3.01Å; N7-L11 VanDerWaalsContact O-N 3.08Å; I8-L11 PolarHBondContact O-N 2.88Å; I9-L11 PolarHBondContact O-N 3.27Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L13 PolarHBondContact O-N 2.62Å; L11-A14 PolarHBondContact O-N 2.96Å; L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.34Å
12V87.6Confident77.2Confident92 Ų92107.5 Ų107.556%0.55856%0.562SS**Hα-helixtrans-63.4-41.8177.3170.60000111I8 I9 V15 A16I8-V12 HydrophobicContact CG2-CG2 4.35Å; I8-V12 VanDerWaalsContact O-CG2 3.26Å; I8-V12 WeakPolarHBondContact O-CG2 3.15Å; I8-V12 PolarHBondContact O-N 3.41Å; I9-V12 PolarHBondContact O-N 2.84Å; V12-V15 PolarHBondContact O-N 3.22Å; V12-A16 WeakPolarHBondContact O-CB 3.43Å; V12-A16 PolarHBondContact O-N 3.32Å
13L88.2Confident78.9Confident113 Ų113109.3 Ų109.359%0.59256%0.562SS**Hα-helixtrans-65.4-40175.7-73.2169.8000112.2I9 I10 L11 A16 L17I9-L13 HydrophobicContact CG2-CD1 4.05Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.02Å; I10-L13 PolarHBondContact O-N 2.68Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L13 PolarHBondContact O-N 2.62Å; L13-A16 PolarHBondContact O-N 3.05Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 3.41Å
14A86.4Confident80.1Confident58 Ų58107 Ų10748%0.47955%0.553SS.*Hα-helixtrans-65-41.6176.700000112I10 L11 L17 F18I10-A14 WeakPolarHBondContact O-CB 3.38Å; I10-A14 PolarHBondContact O-N 3.14Å; L11-A14 PolarHBondContact O-N 2.96Å; A14-L17 PolarHBondContact O-N 2.93Å; A14-F18 WeakPolarHBondContact O-CB 3.28Å; A14-F18 PolarHBondContact O-N 3.46Å
15V90.4Very high80.7Confident75 Ų75102 Ų10246%0.45554%0.542SS..Hα-helixtrans-65.8-42.4175172.50000110.9L11 V12 L17 F18 L19L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.34Å; V12-V15 PolarHBondContact O-N 3.22Å; V15-L17 PolarHBondContact O-N 3.04Å; V15-F18 PolarHBondContact O-N 3.27Å; V15-L19 HydrophobicContact CG1-CD1 3.98Å; V15-L19 HydrophobicContact CG1-CG 4.37Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 3.33Å
16A90.4Very high81.5Confident45 Ų45101.4 Ų101.437%0.37254%0.54SS..Hα-helixtrans-62.3-42.9176.600000112V12 L13 L19 L20V12-A16 WeakPolarHBondContact O-CB 3.43Å; V12-A16 PolarHBondContact O-N 3.32Å; L13-A16 PolarHBondContact O-N 3.05Å; A16-L19 PolarHBondContact O-N 2.83Å; A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 2.77Å
17L89.3Confident81.9Confident121 Ų121101.6 Ų101.663%0.63454%0.538SS*.Hα-helixtrans-64.2-41.9176.4-153.992.9000111.4L13 A14 V15 L20 V21L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 PolarHBondContact O-N 3.41Å; A14-L17 PolarHBondContact O-N 2.93Å; V15-L17 PolarHBondContact O-N 3.04Å; L17-L20 PolarHBondContact O-N 3Å; L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.97Å
18F89.6Confident81.6Confident135 Ų13597.5 Ų97.559%0.59252%0.524SS*.Hα-helixtrans-61.5-45.6176-178.7-101.6000111.6A14 V15 L20 V21 L22A14-F18 WeakPolarHBondContact O-CB 3.28Å; A14-F18 PolarHBondContact O-N 3.46Å; V15-F18 PolarHBondContact O-N 3.27Å; F18-L20 VanDerWaalsContact C-N 3.34Å; F18-L20 PolarHBondContact O-N 2.98Å; F18-V21 PolarHBondContact O-N 3.3Å; F18-L22 HydrophobicContact CD1-CD1 4.22Å; F18-L22 HydrophobicContact CE1-CD1 3.46Å; F18-L22 VanDerWaalsContact CE1-CD1 3.46Å; F18-L22 HydrophobicContact CE2-CD1 4.38Å; F18-L22 HydrophobicContact CZ-CD1 3.55Å; F18-L22 WeakPolarHBondContact O-CB 3.35Å; F18-L22 PolarHBondContact O-N 3.06Å
19L87.3Confident80.3Confident101 Ų10197.1 Ų97.153%0.52952%0.522SS..Hα-helixtrans-64.5-36.1177.1-70.2173.2000112.5V15 A16 L22 H23V15-L19 HydrophobicContact CG1-CD1 3.98Å; V15-L19 HydrophobicContact CG1-CG 4.37Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 3.33Å; A16-L19 PolarHBondContact O-N 2.83Å; L19-L22 PolarHBondContact O-N 3.26Å; L19-H23 WeakPolarHBondContact O-CB 3.42Å; L19-H23 PolarHBondContact O-N 2.79Å
20L86Confident79Confident118 Ų11894.6 Ų94.662%0.61851%0.514SS*.Hα-helixtrans-65.7-43.7174.7-77.7168.7000112.3A16 L17 F18 L22 H23 H24A16-L20 WeakPolarHBondContact O-CG 3.46Å; A16-L20 PolarHBondContact O-N 2.77Å; L17-L20 PolarHBondContact O-N 3Å; F18-L20 VanDerWaalsContact C-N 3.34Å; F18-L20 PolarHBondContact O-N 2.98Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-H23 PolarHBondContact O-N 3.49Å; L20-H24 WeakPolarHBondContact O-CB 3.06Å; L20-H24 PolarHBondContact O-N 3.16Å
21V83.2Confident77.6Confident79 Ų7992.7 Ų92.748%0.47951%0.509SS..Hα-helixtrans-63.7-41.1175.5172.20000110.7L17 F18 H24 N25L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.97Å; F18-V21 PolarHBondContact O-N 3.3Å; V21-H24 PolarHBondContact O-N 3.46Å; V21-N25 WeakPolarHBondContact O-CB 3.38Å; V21-N25 PolarHBondContact O-N 3.44Å; V21-N25 PolarHBondContact O-ND2 3.39Å
22L84.3Confident76Confident70 Ų7092.6 Ų92.637%0.36651%0.509SS..Hα-helixtrans-65.7-43.4178.4-142.2134.8000111.1F18 L19 L20 N25 F26F18-L22 HydrophobicContact CD1-CD1 4.22Å; F18-L22 HydrophobicContact CE1-CD1 3.46Å; F18-L22 VanDerWaalsContact CE1-CD1 3.46Å; F18-L22 HydrophobicContact CE2-CD1 4.38Å; F18-L22 HydrophobicContact CZ-CD1 3.55Å; F18-L22 WeakPolarHBondContact O-CB 3.35Å; F18-L22 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 3.26Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L22-N25 PolarHBondContact O-N 2.83Å; L22-F26 HydrophobicContact CD2-CD2 3.77Å; L22-F26 HydrophobicContact CD2-CE2 3.69Å; L22-F26 WeakPolarHBondContact O-CD2 3.12Å; L22-F26 PolarHBondContact O-N 3.28Å
23H82.4Confident74.2Confident118 Ų11893.1 Ų93.155%0.54651%0.508SS..Hα-helixtrans-63.6-42.2175.6-171.953.9000112.3L19 L20 F26 L27L19-H23 WeakPolarHBondContact O-CB 3.42Å; L19-H23 PolarHBondContact O-N 2.79Å; L20-H23 PolarHBondContact O-N 3.49Å; H23-F26 PolarHBondContact O-N 2.87Å; H23-L27 WeakPolarHBondContact O-CG 3.4Å; H23-L27 PolarHBondContact O-N 3.18Å
24H76Confident72.2Confident137 Ų13796.3 Ų96.363%0.63451%0.512SS*.Hα-helixtrans-63.5-42.6176.7-168.868.9000112.1L20 V21 L27 G28L20-H24 WeakPolarHBondContact O-CB 3.06Å; L20-H24 PolarHBondContact O-N 3.16Å; V21-H24 PolarHBondContact O-N 3.46Å; H24-L27 PolarHBondContact O-N 3.05Å; H24-G28 PolarHBondContact O-N 3.19Å
25N68.8Low70.2Confident104 Ų10499.4 Ų99.456%0.55652%0.521SS*.Hα-helixtrans-66-38176.4-74.7-26.6000112.4V21 L22 G28 L29V21-N25 WeakPolarHBondContact O-CB 3.38Å; V21-N25 PolarHBondContact O-N 3.44Å; V21-N25 PolarHBondContact O-ND2 3.39Å; L22-N25 PolarHBondContact O-N 2.83Å; N25-G28 PolarHBondContact O-N 2.71Å; N25-L29 PolarHBondContact O-N 2.87Å
26F72.2Confident68Low133 Ų133103.5 Ų103.558%0.58354%0.535SS*.Hα-helixtrans-69.2-37175.3-97.6-84.2000113L22 H23 G28 L29 S30L22-F26 HydrophobicContact CD2-CD2 3.77Å; L22-F26 HydrophobicContact CD2-CE2 3.69Å; L22-F26 WeakPolarHBondContact O-CD2 3.12Å; L22-F26 PolarHBondContact O-N 3.28Å; H23-F26 PolarHBondContact O-N 2.87Å; F26-G28 VanDerWaalsContact C-N 3.34Å; F26-L29 PolarHBondContact O-N 3.19Å; F26-S30 WeakPolarHBondContact O-CB 3.44Å; F26-S30 PolarHBondContact O-N 3.29Å
27L64.9Low65.7Low85 Ų85106.4 Ų106.445%0.44555%0.548SS..Hα-helixtrans-63.5-41.3173-75.2169000111.3H23 H24 L29 S30 S31H23-L27 WeakPolarHBondContact O-CG 3.4Å; H23-L27 PolarHBondContact O-N 3.18Å; H24-L27 PolarHBondContact O-N 3.05Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.97Å; L27-S30 PolarHBondContact O-N 2.94Å; L27-S30 PolarHBondContact O-OG 3.08Å; L27-S31 PolarHBondContact O-N 3.37Å; L27-S31 VanDerWaalsContact O-N 3.1Å
28G60.8Low63.2Low32 Ų32105.6 Ų105.633%0.3355%0.548SS..Hα-helixtrans-63.6-33173.500000114H24 N25 F26 S31 L32H24-G28 PolarHBondContact O-N 3.19Å; N25-G28 PolarHBondContact O-N 2.71Å; F26-G28 VanDerWaalsContact C-N 3.34Å; G28-S31 PolarHBondContact O-OG 2.98Å; G28-L32 PolarHBondContact O-N 3.27Å
29L51.4Low60.7Low99 Ų99106.9 Ų106.952%0.51856%0.561SS.*Hα-helixtrans-73-36.4173.9-143.881.8000111.9N25 F26 L27 L32 L33N25-L29 PolarHBondContact O-N 2.87Å; F26-L29 PolarHBondContact O-N 3.19Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.97Å; L29-L32 PolarHBondContact O-N 2.74Å; L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3.2Å
30S54.8Low58.2Low51 Ų51106.3 Ų106.336%0.35757%0.565SS.*Hα-helixtrans-70.4-29.5179.276.20000113.4F26 L27 R34F26-S30 WeakPolarHBondContact O-CB 3.44Å; F26-S30 PolarHBondContact O-N 3.29Å; L27-S30 PolarHBondContact O-N 2.94Å; L27-S30 PolarHBondContact O-OG 3.08Å; S30-R34 VanDerWaalsContact O-CB 3.3Å; S30-R34 WeakPolarHBondContact O-CB 3.5Å; S30-R34 PolarHBondContact O-N 3.35Å
31S53.6Low55.6Low61 Ų61104.7 Ų104.743%0.42758%0.577SS.*Hα-helixtrans-74-35.2173.763.10000112L27 G28 R34 N35L27-S31 PolarHBondContact O-N 3.37Å; L27-S31 VanDerWaalsContact O-N 3.1Å; G28-S31 PolarHBondContact O-OG 2.98Å; S31-R34 PolarHBondContact O-N 3.21Å; S31-N35 PolarHBondContact O-N 3.37Å; S31-N35 VanDerWaalsContact O-N 3.12Å
32L48.1Very low53.1Low118 Ų118108.4 Ų108.462%0.61859%0.593SS**Hα-helixtrans-63.3-46.8171.8-87.5161000111.8G28 L29 R34 N35 E36G28-L32 PolarHBondContact O-N 3.27Å; L29-L32 PolarHBondContact O-N 2.74Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.17Å; L32-N35 PolarHBondContact O-N 2.95Å; L32-E36 PolarHBondContact O-N 2.95Å
33L50.5Low50.7Low103 Ų103112.1 Ų112.154%0.53962%0.618SS.*Hα-helixtrans-67.5-30.2177.5-71.6168.6000112.9L29 V37L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3.2Å; L33-V37 WeakPolarHBondContact O-CG2 3.33Å
34R46Very low48.2Very low180 Ų180109.3 Ų109.368%0.67962%0.621SS**Hα-helixtrans-73-34177-163177.3-64.1-109.71.2112S30 S31 L32 V37 T38S30-R34 VanDerWaalsContact O-CB 3.3Å; S30-R34 WeakPolarHBondContact O-CB 3.5Å; S30-R34 PolarHBondContact O-N 3.35Å; S31-R34 PolarHBondContact O-N 3.21Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.17Å; R34-V37 PolarHBondContact O-N 2.98Å; R34-T38 PolarHBondContact O-OG1 3.2Å; R34-T38 VanDerWaalsContact O-OG1 3.12Å
35N45.1Very low46.7Very low123 Ų123108.3 Ų108.366%0.65863%0.627SS**Hα-helixtrans-74.2-25.3178-75.2-10000113.4S31 L32S31-N35 PolarHBondContact O-N 3.37Å; S31-N35 VanDerWaalsContact O-N 3.12Å; L32-N35 PolarHBondContact O-N 2.95Å
36E43.9Very low44.8Very low160 Ų160112.2 Ų112.275%0.74864%0.642SS**Hα-helixtrans-77.6-20173.5-78.9-172.9156.800113.5L32L32-E36 PolarHBondContact O-N 2.95Å
37V41.9Very low43.2Very low107 Ų107110.4 Ų110.465%0.64864%0.644SS**Hα-helixtrans-95.6-18.3-175.3176.80000112.9L33 R34L33-V37 WeakPolarHBondContact O-CG2 3.33Å; R34-V37 PolarHBondContact O-N 2.98Å
38T35.9Very low41.4Very low104 Ų104113.4 Ų113.464%0.63866%0.658SS**SBendtrans-89.14.9-175.440.30000116.8R34R34-T38 PolarHBondContact O-OG1 3.2Å; R34-T38 VanDerWaalsContact O-OG1 3.12Å
39D38.5Very low39.9Very low162 Ų162118.7 Ų118.787%0.86668%0.679SS**SBendtrans-118.840.1179.1-124.24.4000113.7
40S35Very low38.8Very low88 Ų88123.9 Ų123.962%0.61570%0.698SS**  trans-126.674.2168.548.10000110.9I42S40-I42 PolarHBondContact O-N 2.72Å
41G30Very low37.7Very low84 Ų84127.3 Ų127.387%0.86672%0.716SS**  trans-73.8100.4166.300000110.9
42I32.1Very low36.9Very low157 Ų157129.6 Ų129.681%0.80573%0.73SS**  trans-76.4124.6171.1-66.2170.4000109.6S40S40-I42 PolarHBondContact O-N 2.72Å
43V33.2Very low36.4Very low148 Ų148131.1 Ų131.190%0.89774%0.738SS**  trans-128.7128.3151.2177.70000107.6
44G29.2Very low35.6Very low60 Ų60130.5 Ų130.562%0.61975%0.748SS**  trans-77.6-171.3-171.200000116.4
45P44.3Very low34.9Very low116 Ų116128.5 Ų128.575%0.75375%0.75SS**  trans-111.9147.9-135.238.4-30.9000115.2
46Q28.6Very low34.3Very low185 Ų185134.1 Ų134.186%0.86476%0.762SS**  trans-153.7154.1150.6-82.4-56.2-72.400110.7
47P40.3Very low34Very low96 Ų96136 Ų13662%0.62376%0.764SS**  trans-103.1-175.9-156.837.9-27.8000114
48I27.3Very low33.6Very low147 Ų147135.3 Ų135.375%0.75477%0.77SS**  trans95.6123171.3-53162.8000111.5
49D27.7Very low33.8Very low144 Ų144137 Ų13777%0.7778%0.779SS**  cis-149.9147.214.7-99.9-33.9000110.5V51D49-V51 PolarHBondContact O-N 3.15Å
50F29.8Very low33.7Very low208 Ų208134.3 Ų134.391%0.91277%0.765SS**  trans-71.4110.2171.8-103.6-99.6000110.7
51V31.8Very low34Very low122 Ų122133.9 Ų133.974%0.73978%0.775SS**  trans-104.1108.1162.7-179.50000108.5D49 N53D49-V51 PolarHBondContact O-N 3.15Å; V51-N53 PolarHBondContact O-N 3.13Å
52P36.1Very low35Very low109 Ų109139.3 Ų139.371%0.70877%0.769SS**  trans-85.495.3175.132.1-27.5000108.9
53N36.4Very low36.3Very low150 Ų150138.8 Ų138.880%0.80276%0.763SS**  trans-141.648.7158.8-106.6-11.2000110.9V51 L55V51-N53 PolarHBondContact O-N 3.13Å; N53-L55 PolarHBondContact O-N 3.03Å
54A34.1Very low38.5Very low91 Ų91138 Ų13875%0.75275%0.75SS**  trans-79.6102.1150.700000106.2R56A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.71Å
55L31.4Very low41.5Very low137 Ų137138.3 Ų138.372%0.71774%0.735SS**  trans-47.999.6165.8-144.994.4000107.1N53 Y57N53-L55 PolarHBondContact O-N 3.03Å; L55-Y57 VanDerWaalsContact C-N 3.27Å; L55-Y57 PolarHBondContact O-N 2.98Å
56R32.9Very low44.1Very low241 Ų241132.9 Ų132.991%0.90970%0.7SS**  trans-62.9100.3166.9-73.2-174.3177.2-170.7-0.1104.5A54 A58A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.71Å; R56-A58 VanDerWaalsContact C-N 3.26Å; R56-A58 PolarHBondContact O-N 2.68Å
57Y37.2Very low47.4Very low199 Ų199124.4 Ų124.478%0.7866%0.661SS**  trans-54.3105159.8-87.4-88.5000105.2L55 V59L55-Y57 VanDerWaalsContact C-N 3.27Å; L55-Y57 PolarHBondContact O-N 2.98Å; Y57-V59 VanDerWaalsContact C-N 3.33Å; Y57-V59 PolarHBondContact O-N 3.26Å
58A34.6Very low50.2Low94 Ų94119.8 Ų119.878%0.77763%0.631SS**  trans-54.6106.2168.300000105.8R56 D60R56-A58 VanDerWaalsContact C-N 3.26Å; R56-A58 PolarHBondContact O-N 2.68Å; A58-D60 PolarHBondContact O-N 3.42Å
59V38.8Very low53.6Low138 Ų138112.8 Ų112.884%0.83660%0.595SS**  trans-65.895.4164.6177.70000104Y57 G61Y57-V59 VanDerWaalsContact C-N 3.33Å; Y57-V59 PolarHBondContact O-N 3.26Å; V59-G61 PolarHBondContact O-N 3.01Å; V59-G61 VanDerWaalsContact O-N 3.13Å
60D37.4Very low57Low107 Ų107106 Ų10657%0.57256%0.559SS**  trans-50.7119.8166.1-17515.8000106.2A58 R62A58-D60 PolarHBondContact O-N 3.42Å; D60-R62 PolarHBondContact O-N 3.44Å; D60-R62 WeakPolarHBondContact OD2-CD 3.27Å; D60-R62 IonicContact OD2-NE 3.22Å; D60-R62 PolarHBondContact OD2-NE 3.18Å
61G40.1Very low60.2Low79 Ų7996.5 Ų96.581%0.81452%0.518SS*.SBendtrans-67.520.9-172.800000114.3V59V59-G61 PolarHBondContact O-N 3.01Å; V59-G61 VanDerWaalsContact O-N 3.13Å
62R52.6Low63.2Low198 Ų19890.7 Ų90.775%0.74748%0.483SS*.SBendtrans-78.7116.6167.5-62.1-175.6-164.1-150.3-2107.3D60 E64D60-R62 PolarHBondContact O-N 3.44Å; D60-R62 WeakPolarHBondContact OD2-CD 3.27Å; D60-R62 IonicContact OD2-NE 3.22Å; D60-R62 PolarHBondContact OD2-NE 3.18Å; R62-E64 PolarHBondContact O-N 2.64Å
63Q58.4Low66Low146 Ų14686.7 Ų86.768%0.68246%0.458SS*.PPolyproline II helixtrans-48.9117.2163.9-78.7-178.6-17.700108.2E65 N94Q63-E65 PolarHBondContact O-N 3.21Å; Q63-E65 VanDerWaalsContact O-N 3.08Å; Q63-N94 HydrophobicContact CB-CB 4.41Å
64E79.5Confident68.8Low131 Ų13182.7 Ų82.761%0.61243%0.434SS*.PPolyproline II helixtrans-59.2117.1-179-170.1170.4-15900108.2R62 I66R62-E64 PolarHBondContact O-N 2.64Å; E64-I66 PolarHBondContact O-N 2.7Å
65E93Very high71.6Confident66 Ų6682.9 Ų82.931%0.30842%0.423SS..PPolyproline II helixtrans-66.5127.2177.6168172.8-8300109.1Q63 P67 N94 I96 R122Q63-E65 PolarHBondContact O-N 3.21Å; Q63-E65 VanDerWaalsContact O-N 3.08Å; E65-P67 WeakPolarHBondContact O-CD 3.37Å; E65-N94 CarbonylContact C-O 3.56Å; E65-N94 WeakPolarHBondContact CA-O 3.32Å; E65-I96 HydrophobicContact CG-CB 3.88Å; E65-I96 HydrophobicContact CG-CG2 3.36Å; E65-I96 WeakPolarHBondContact OE2-CG2 3.46Å; E65-R122 IonicContact OE1-CZ 3.17Å; E65-R122 IonicContact OE1-NH1 2.64Å; E65-R122 PolarHBondContact OE1-NH1 3.21Å; E65-R122 IonicContact OE1-NH2 3.94Å; E65-R122 PolarHBondContact OE1-NH2 3.47Å
66I97.8Very high74.7Confident2 Ų278.8 Ų78.81%0.0140%0.398CS..EExtended strand (participates in β ladder)trans-90.4108.9-179.8-58.2174.8000109.3E64 V68 N94 V95 I96 I168 I180 L181 Y184E64-I66 PolarHBondContact O-N 2.7Å; I66-V68 HydrophobicContact CG2-CG2 4.17Å; I66-V68 PolarHBondContact O-N 3.08Å; I66-N94 PolarHBondContact N-O 3.44Å; I66-V95 HydrophobicContact CB-CG2 4.34Å; I66-I96 PolarHBondContact O-N 2.86Å; I66-I168 HydrophobicContact CG2-CD1 4.18Å; I66-I180 HydrophobicContact CD1-CG2 4.33Å; I66-L181 HydrophobicContact CD1-CB 4.01Å; I66-L181 HydrophobicContact CD1-CD1 3.78Å; I66-Y184 HydrophobicContact CG1-CD1 4.22Å; I66-Y184 HydrophobicContact CG1-CG 4.21Å; I66-Y184 HydrophobicContact CG2-CD2 3.68Å; I66-Y184 HydrophobicContact CG2-CE2 4.24Å; I66-Y184 HydrophobicContact CG2-CG 3.88Å
67P98.4Very high77.7Confident7 Ų767.3 Ų67.35%0.04536%0.355CS..EExtended strand (participates in β ladder)trans-80.4119.7177.2-1535.4000110E65 I96 Y98 A164 K166 A167 I168E65-P67 WeakPolarHBondContact O-CD 3.37Å; P67-I96 HydrophobicContact CB-CG2 4.31Å; P67-Y98 HydrophobicContact CB-CD2 4.19Å; P67-Y98 HydrophobicContact CB-CE2 3.89Å; P67-A164 HydrophobicContact CB-CB 4.22Å; P67-A164 HydrophobicContact CG-CB 3.83Å; P67-K166 WeakPolarHBondContact CD-O 3.29Å; P67-K166 WeakPolarHBondContact CG-O 3.3Å; P67-A167 HydrophobicContact CB-CB 4.07Å; P67-A167 WeakPolarHBondContact O-CA 3.49Å; P67-I168 PolarHBondContact O-N 3.23Å
68V98.8Very high80.6Confident0 Ų057.9 Ų57.90%032%0.317CS..EExtended strand (participates in β ladder)trans-113.3122173.1-179.60000108.7I66 I70 I87 V95 I96 F97 Y98 I168 M170 I180I66-V68 HydrophobicContact CG2-CG2 4.17Å; I66-V68 PolarHBondContact O-N 3.08Å; V68-I70 HydrophobicContact CG1-CD1 4.2Å; V68-I70 HydrophobicContact CG1-CG1 4.12Å; V68-I87 HydrophobicContact CG1-CD1 4.09Å; V68-V95 HydrophobicContact CB-CG1 4.35Å; V68-V95 HydrophobicContact CG2-CG1 3.79Å; V68-I96 PolarHBondContact N-O 3.15Å; V68-F97 HydrophobicContact CB-CD1 4.03Å; V68-F97 HydrophobicContact CB-CE1 4.31Å; V68-F97 HydrophobicContact CG1-CD1 4.22Å; V68-F97 HydrophobicContact CG1-CE1 4.4Å; V68-F97 CarbonylContact O-C 2.93Å; V68-F97 WeakPolarHBondContact O-CA 3.48Å; V68-Y98 PolarHBondContact O-N 2.92Å; V68-I168 CarbonylContact C-O 3.44Å; V68-I168 WeakPolarHBondContact CA-O 3.35Å; V68-I168 HydrophobicContact CG2-CB 4.47Å; V68-I168 HydrophobicContact CG2-CD1 4.49Å; V68-M170 HydrophobicContact CG1-CG 4.3Å; V68-M170 HydrophobicContact CG1-SD 3.94Å; V68-I180 HydrophobicContact CG2-CG1 4.4Å
69V98.8Very high83.6Confident0 Ų053.4 Ų53.40%028%0.28CS..EExtended strand (participates in β ladder)trans-104.8122.6-179.3-171.30000109Y98 V100 L157 V161 A167 I168 Y169 M170V69-Y98 WeakPolarHBondContact CA-O 3.45Å; V69-V100 HydrophobicContact CG1-CG2 3.65Å; V69-L157 HydrophobicContact CB-CD2 4.09Å; V69-L157 HydrophobicContact CG1-CD2 3.92Å; V69-L157 HydrophobicContact CG2-CD2 4.14Å; V69-V161 HydrophobicContact CG2-CG1 3.72Å; V69-V161 HydrophobicContact CG2-CG2 4.17Å; V69-A167 HydrophobicContact CG2-CB 4.36Å; V69-I168 PolarHBondContact N-O 3.01Å; V69-Y169 HydrophobicContact CB-CD2 4.29Å; V69-Y169 HydrophobicContact CG1-CD2 4.25Å; V69-Y169 WeakPolarHBondContact O-CA 3.47Å; V69-M170 PolarHBondContact O-N 3.43Å
70I98.6Very high86.4Confident1 Ų146.9 Ų46.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-127.4127.6178.5-62.8169.4000108.3V68 A80 A83 I84 F97 Y98 I99 V100 M170 D172V68-I70 HydrophobicContact CG1-CD1 4.2Å; V68-I70 HydrophobicContact CG1-CG1 4.12Å; I70-A80 HydrophobicContact CG2-CB 4.08Å; I70-A83 HydrophobicContact CD1-CB 4.41Å; I70-I84 HydrophobicContact CD1-CG1 3.74Å; I70-F97 HydrophobicContact CD1-CD1 4.37Å; I70-Y98 PolarHBondContact N-O 3.07Å; I70-I99 CarbonylContact O-C 3.46Å; I70-I99 WeakPolarHBondContact O-CA 3.19Å; I70-V100 PolarHBondContact O-N 3.15Å; I70-M170 HydrophobicContact CG1-CB 4.33Å; I70-D172 HydrophobicContact CG2-CB 4.39Å
71A97.1Very high89.3Confident8 Ų841.8 Ų41.87%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-84.4128170.600000109.5V100 L150 A153A71-V100 CarbonylContact C-O 3.36Å; A71-V100 WeakPolarHBondContact CA-O 3.42Å; A71-L150 HydrophobicContact CB-CB 4.32Å; A71-A153 HydrophobicContact CB-CB 4.21Å
72A95.8Very high92.1Very high0 Ų038 Ų380%018%0.175CC..  trans-129.5103.6-172.700000110.3L77 A80 I99 V100 T101 L150A72-L77 HydrophobicContact CB-CD2 3.96Å; A72-A80 HydrophobicContact CB-CB 3.71Å; A72-I99 HydrophobicContact CB-CG2 3.71Å; A72-V100 PolarHBondContact N-O 2.67Å; A72-T101 VanDerWaalsContact O-CB 3.3Å; A72-T101 WeakPolarHBondContact O-CB 3.45Å; A72-T101 PolarHBondContact O-OG1 3.49Å; A72-L150 WeakPolarHBondContact O-CD1 3.42Å
73S94.9Very high94.3Very high25 Ų2528.6 Ų28.618%0.17514%0.139CC..  trans-85.8156.1172.964.80000111.5D75 R76 L77S73-D75 VanDerWaalsContact C-N 3.29Å; S73-D75 VanDerWaalsContact CB-OD1 3.3Å; S73-D75 WeakPolarHBondContact CB-OD1 3.28Å; S73-D75 PolarHBondContact O-N 2.94Å; S73-D75 PolarHBondContact OG-OD1 3.31Å; S73-R76 CarbonylContact O-C 3.6Å; S73-R76 PolarHBondContact O-N 3.3Å; S73-R76 WeakPolarHBondContact OG-CB 3.48Å; S73-R76 WeakPolarHBondContact OG-CD 3.43Å; S73-R76 WeakPolarHBondContact OG-CG 2.95Å; S73-L77 PolarHBondContact O-N 2.86Å
74E95.1Very high96.2Very high67 Ų6721.6 Ų21.631%0.31311%0.107SC..G310 helixtrans-48.2-49.6-179.7-170.566-161.600112.9R76 T105 H108E74-R76 PolarHBondContact O-N 2.77Å; E74-T105 HydrophobicContact CB-CG2 4.46Å; E74-T105 WeakPolarHBondContact CB-OG1 3.48Å; E74-T105 VanDerWaalsContact OE2-CA 3.22Å; E74-T105 WeakPolarHBondContact OE2-CA 3.37Å; E74-T105 WeakPolarHBondContact OE2-CB 3.32Å; E74-T105 WeakPolarHBondContact OE2-CG2 3.45Å; E74-T105 PolarHBondContact OE2-OG1 2.86Å; E74-H108 IonicContact OE1-CE1 2.88Å; E74-H108 IonicContact OE1-CG 2.66Å; E74-H108 IonicContact OE1-ND1 3.2Å; E74-H108 PolarHBondContact OE1-ND1 2.94Å; E74-H108 IonicContact OE2-ND1 3.11Å
75D93.5Very high97.1Very high95 Ų9516.1 Ų16.151%0.5088%0.082SC..G310 helixtrans-74.3-6.9-176.966.1-43.8000113.8S73S73-D75 VanDerWaalsContact C-N 3.29Å; S73-D75 VanDerWaalsContact CB-OD1 3.3Å; S73-D75 WeakPolarHBondContact CB-OD1 3.28Å; S73-D75 PolarHBondContact O-N 2.94Å; S73-D75 PolarHBondContact OG-OD1 3.31Å
76R94.9Very high97.4Very high51 Ų5113 Ų1319%0.1927%0.067CC..G310 helixtrans-126.69.6-175.6-58.4178.566156.8-2.3113.2S73 E74 G78 G79 A80 D172 D173 W336S73-R76 CarbonylContact O-C 3.6Å; S73-R76 PolarHBondContact O-N 3.3Å; S73-R76 WeakPolarHBondContact OG-CB 3.48Å; S73-R76 WeakPolarHBondContact OG-CD 3.43Å; S73-R76 WeakPolarHBondContact OG-CG 2.95Å; E74-R76 PolarHBondContact O-N 2.77Å; R76-G78 VanDerWaalsContact C-N 3.27Å; R76-G78 PolarHBondContact O-N 3.07Å; R76-G79 WeakPolarHBondContact O-CA 3.33Å; R76-G79 PolarHBondContact O-N 2.93Å; R76-A80 PolarHBondContact O-N 3.42Å; R76-D172 WeakPolarHBondContact CB-OD2 3.47Å; R76-D172 WeakPolarHBondContact CD-OD2 3.24Å; R76-D172 IonicContact CZ-OD1 3.67Å; R76-D172 IonicContact CZ-OD2 3.32Å; R76-D172 IonicContact NE-OD1 3.06Å; R76-D172 PolarHBondContact NE-OD1 2.78Å; R76-D172 IonicContact NE-OD2 3.94Å; R76-D172 PolarHBondContact NE-OD2 3.3Å; R76-D172 IonicContact NH2-OD1 3.68Å; R76-D172 PolarHBondContact NH2-OD1 2.86Å; R76-D172 IonicContact NH2-OD2 3.93Å; R76-D173 VanDerWaalsContact NH2-CG 3.26Å; R76-D173 IonicContact NH2-OD1 3.7Å; R76-D173 IonicContact NH2-OD2 2.73Å; R76-D173 PolarHBondContact NH2-OD2 2.87Å; R76-W336 HydrophobicContact CB-CZ2 4.34Å; R76-W336 HydrophobicContact CG-CZ2 4.27Å
77L97.1Very high97.4Very high0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-53.9-41.2-179.7-76.1-173.6000112.9A72 S73 G79 A80 I81 T105 H108 L109 W112A72-L77 HydrophobicContact CB-CD2 3.96Å; S73-L77 PolarHBondContact O-N 2.86Å; L77-G79 PolarHBondContact O-N 3.47Å; L77-A80 PolarHBondContact O-N 2.67Å; L77-A80 VanDerWaalsContact O-N 3.12Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 2.95Å; L77-T105 HydrophobicContact CD1-CG2 4.02Å; L77-T105 HydrophobicContact CD2-CG2 3.82Å; L77-T105 HydrophobicContact CG-CG2 4.14Å; L77-H108 HydrophobicContact CD1-CB 4.26Å; L77-H108 WeakPolarHBondContact CD1-ND1 3.38Å; L77-L109 HydrophobicContact CD2-CB 4.26Å; L77-L109 HydrophobicContact CD2-CD1 4.09Å; L77-W112 HydrophobicContact CB-CE3 3.95Å; L77-W112 HydrophobicContact CB-CH2 4.5Å; L77-W112 HydrophobicContact CB-CZ3 3.53Å; L77-W112 HydrophobicContact CD1-CE3 4.34Å; L77-W112 HydrophobicContact CD1-CZ3 4.47Å
78G97.4Very high97.3Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-61.1-32.6176.900000113.6R76 A82 W112 W346R76-G78 VanDerWaalsContact C-N 3.27Å; R76-G78 PolarHBondContact O-N 3.07Å; G78-A82 WeakPolarHBondContact O-CB 3.42Å; G78-A82 PolarHBondContact O-N 3.1Å; G78-W112 VanDerWaalsContact CA-CH2 3.42Å; G78-W346 WeakPolarHBondContact O-CZ2 3.37Å
79G97.9Very high97.2Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-61.2-54.8169.700000111.8R76 L77 I81 A82 A83 D172 W336R76-G79 WeakPolarHBondContact O-CA 3.33Å; R76-G79 PolarHBondContact O-N 2.93Å; L77-G79 PolarHBondContact O-N 3.47Å; G79-I81 VanDerWaalsContact C-N 3.32Å; G79-I81 PolarHBondContact O-N 3.25Å; G79-A82 PolarHBondContact O-N 3.16Å; G79-A82 VanDerWaalsContact O-N 3.15Å; G79-A83 PolarHBondContact O-N 2.8Å; G79-D172 CarbonylContact C-O 3.29Å; G79-D172 WeakPolarHBondContact CA-O 3.19Å; G79-D172 VanDerWaalsContact O-O 3.07Å; G79-W336 VanDerWaalsContact CA-CZ3 3.49Å
80A98.3Very high97.2Very high1 Ų123.6 Ų23.61%0.00812%0.117CC..Hα-helixtrans-59.6-42.5-178.800000112.1I70 A72 R76 L77 A83 I84 D172I70-A80 HydrophobicContact CG2-CB 4.08Å; A72-A80 HydrophobicContact CB-CB 3.71Å; R76-A80 PolarHBondContact O-N 3.42Å; L77-A80 PolarHBondContact O-N 2.67Å; L77-A80 VanDerWaalsContact O-N 3.12Å; A80-A83 PolarHBondContact O-N 2.94Å; A80-I84 WeakPolarHBondContact O-CD1 3.38Å; A80-I84 VanDerWaalsContact O-CG1 3.26Å; A80-I84 WeakPolarHBondContact O-CG1 3.47Å; A80-I84 PolarHBondContact O-N 2.93Å; A80-D172 HydrophobicContact CB-CB 3.95Å
81I98.4Very high97.1Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-64.5-43.3176.8-65.8-65000111.2L77 G79 A83 I84 N85 L109 W112 L113 L118 I351L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 2.95Å; G79-I81 VanDerWaalsContact C-N 3.32Å; G79-I81 PolarHBondContact O-N 3.25Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 2.82Å; I81-I84 PolarHBondContact O-N 2.97Å; I81-N85 VanDerWaalsContact O-CB 3.23Å; I81-N85 WeakPolarHBondContact O-CB 3.36Å; I81-N85 PolarHBondContact O-N 3.01Å; I81-L109 HydrophobicContact CD1-CD1 4.2Å; I81-W112 HydrophobicContact CD1-CB 4.32Å; I81-W112 HydrophobicContact CD1-CD2 4.43Å; I81-W112 HydrophobicContact CD1-CG 4.15Å; I81-W112 HydrophobicContact CG1-CD2 3.78Å; I81-W112 HydrophobicContact CG1-CE3 4.13Å; I81-W112 HydrophobicContact CG1-CG 4Å; I81-W112 HydrophobicContact CG1-CZ2 4.49Å; I81-L113 HydrophobicContact CD1-CD2 3.73Å; I81-L113 HydrophobicContact CD1-CG 4.39Å; I81-L118 HydrophobicContact CD1-CD1 3.96Å; I81-L118 HydrophobicContact CG2-CD1 3.97Å; I81-I351 HydrophobicContact CG2-CB 4Å; I81-I351 HydrophobicContact CG2-CD1 4.22Å; I81-I351 HydrophobicContact CG2-CG1 4.46Å
82A98.5Very high97Very high0 Ų035.7 Ų35.70%016%0.163CC..Hα-helixtrans-63.3-39.4175.800000112.2G78 G79 N85 S86 I175 W346 W349G78-A82 WeakPolarHBondContact O-CB 3.42Å; G78-A82 PolarHBondContact O-N 3.1Å; G79-A82 PolarHBondContact O-N 3.16Å; G79-A82 VanDerWaalsContact O-N 3.15Å; A82-N85 PolarHBondContact O-N 2.76Å; A82-S86 WeakPolarHBondContact O-CB 3.37Å; A82-S86 PolarHBondContact O-N 3.41Å; A82-S86 PolarHBondContact O-OG 3.06Å; A82-I175 HydrophobicContact CB-CD1 4.15Å; A82-W346 HydrophobicContact CB-CD2 4.48Å; A82-W346 HydrophobicContact CB-CH2 4.22Å; A82-W346 HydrophobicContact CB-CZ2 3.44Å; A82-W346 VanDerWaalsContact CB-CZ2 3.44Å; A82-W349 WeakPolarHBondContact CA-O 3.06Å; A82-W349 HydrophobicContact CB-CB 4.19Å
83A98.7Very high97Very high0 Ų037.1 Ų37.10%017%0.173CC..Hα-helixtrans-61.6-50.3174.600000111.4I70 G79 A80 I81 N85 S86 I87 V174I70-A83 HydrophobicContact CD1-CB 4.41Å; G79-A83 PolarHBondContact O-N 2.8Å; A80-A83 PolarHBondContact O-N 2.94Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 2.82Å; A83-N85 PolarHBondContact O-N 2.86Å; A83-S86 PolarHBondContact O-N 2.99Å; A83-S86 PolarHBondContact O-OG 2.83Å; A83-I87 WeakPolarHBondContact O-CG1 3.19Å; A83-I87 PolarHBondContact O-N 3.49Å; A83-V174 HydrophobicContact CB-CG2 3.88Å; A83-V174 WeakPolarHBondContact CB-O 3.24Å
84I98.6Very high97.1Very high0 Ų038.2 Ų38.20%018%0.177CC..Hα-helixtrans-56.8-48.8176.2-70.5164.1000110.8I70 A80 I81 S86 I87 Q88 F97 I99 I121I70-I84 HydrophobicContact CD1-CG1 3.74Å; A80-I84 WeakPolarHBondContact O-CD1 3.38Å; A80-I84 VanDerWaalsContact O-CG1 3.26Å; A80-I84 WeakPolarHBondContact O-CG1 3.47Å; A80-I84 PolarHBondContact O-N 2.93Å; I81-I84 PolarHBondContact O-N 2.97Å; I84-S86 VanDerWaalsContact C-N 3.34Å; I84-S86 PolarHBondContact O-N 2.89Å; I84-I87 PolarHBondContact O-N 2.86Å; I84-Q88 WeakPolarHBondContact O-CB 3.49Å; I84-Q88 PolarHBondContact O-N 2.96Å; I84-F97 HydrophobicContact CB-CE1 4.41Å; I84-F97 HydrophobicContact CG1-CD1 3.97Å; I84-F97 HydrophobicContact CG1-CE1 4.21Å; I84-F97 HydrophobicContact CG1-CG 4.31Å; I84-F97 HydrophobicContact CG2-CD1 4.41Å; I84-F97 HydrophobicContact CG2-CD2 4.09Å; I84-F97 HydrophobicContact CG2-CE1 4.23Å; I84-F97 HydrophobicContact CG2-CE2 3.91Å; I84-F97 HydrophobicContact CG2-CG 4.33Å; I84-F97 HydrophobicContact CG2-CZ 3.98Å; I84-I99 HydrophobicContact CD1-CD1 3.57Å; I84-I99 HydrophobicContact CD1-CG1 3.98Å; I84-I121 HydrophobicContact CG2-CD1 3.93Å; I84-I121 HydrophobicContact CG2-CG2 4.4Å
85N98.3Very high97.2Very high15 Ų1535.3 Ų35.38%0.0816%0.164CC..Hα-helixtrans-60.9-43.5-179.5-168.431.9000111.4I81 A82 A83 I87 Q88 H89 W349 I351I81-N85 VanDerWaalsContact O-CB 3.23Å; I81-N85 WeakPolarHBondContact O-CB 3.36Å; I81-N85 PolarHBondContact O-N 3.01Å; A82-N85 PolarHBondContact O-N 2.76Å; A83-N85 PolarHBondContact O-N 2.86Å; N85-I87 VanDerWaalsContact C-N 3.34Å; N85-I87 PolarHBondContact O-N 2.96Å; N85-Q88 PolarHBondContact O-N 3.37Å; N85-H89 PolarHBondContact O-CD2 3.45Å; N85-H89 PolarHBondContact O-N 3.38Å; N85-H89 VanDerWaalsContact O-N 3.13Å; N85-H89 PolarHBondContact OD1-CD2 3.06Å; N85-H89 PolarHBondContact OD1-NE2 2.97Å; N85-W349 PolarHBondContact ND2-O 3.09Å; N85-I351 HydrophobicContact CB-CD1 4.01Å
86S98.6Very high97.4Very high0 Ų031.3 Ų31.30%014%0.142CC..Hα-helixtrans-61.7-39.7176760000112.9A82 A83 I84 N90 V176 W349A82-S86 WeakPolarHBondContact O-CB 3.37Å; A82-S86 PolarHBondContact O-N 3.41Å; A82-S86 PolarHBondContact O-OG 3.06Å; A83-S86 PolarHBondContact O-N 2.99Å; A83-S86 PolarHBondContact O-OG 2.83Å; I84-S86 VanDerWaalsContact C-N 3.34Å; I84-S86 PolarHBondContact O-N 2.89Å; S86-N90 WeakPolarHBondContact O-CB 3.41Å; S86-N90 PolarHBondContact O-N 3.47Å; S86-N90 PolarHBondContact O-ND2 2.82Å; S86-V176 WeakPolarHBondContact CB-O 3.47Å; S86-V176 PolarHBondContact OG-N 3.26Å; S86-W349 VanDerWaalsContact CA-CE3 3.5Å
87I98.4Very high97.6Very high1 Ų128.9 Ų28.91%0.00513%0.133CC..Hα-helixtrans-66.8-50.3177.1-67.1164.6000110.2V68 A83 I84 N85 H89 N90 T91 V95 F97 M170 V176 I180V68-I87 HydrophobicContact CG1-CD1 4.09Å; A83-I87 WeakPolarHBondContact O-CG1 3.19Å; A83-I87 PolarHBondContact O-N 3.49Å; I84-I87 PolarHBondContact O-N 2.86Å; N85-I87 VanDerWaalsContact C-N 3.34Å; N85-I87 PolarHBondContact O-N 2.96Å; I87-H89 PolarHBondContact O-N 3.07Å; I87-N90 PolarHBondContact O-N 2.91Å; I87-N90 VanDerWaalsContact O-N 3.16Å; I87-T91 HydrophobicContact CG2-CG2 4.49Å; I87-T91 WeakPolarHBondContact O-CG2 3.39Å; I87-T91 PolarHBondContact O-N 2.99Å; I87-V95 HydrophobicContact CG2-CG1 4.39Å; I87-V95 HydrophobicContact CG2-CG2 4.35Å; I87-F97 HydrophobicContact CB-CE1 4.02Å; I87-F97 HydrophobicContact CB-CZ 3.98Å; I87-F97 HydrophobicContact CD1-CE1 3.92Å; I87-F97 HydrophobicContact CG2-CE1 3.89Å; I87-F97 HydrophobicContact CG2-CZ 3.77Å; I87-M170 HydrophobicContact CD1-SD 3.81Å; I87-V176 HydrophobicContact CD1-CG2 3.97Å; I87-V176 HydrophobicContact CG1-CB 3.66Å; I87-V176 HydrophobicContact CG1-CG1 4.16Å; I87-V176 HydrophobicContact CG1-CG2 3.45Å; I87-V176 VanDerWaalsContact CG1-CG2 3.45Å; I87-I180 HydrophobicContact CG2-CB 4.18Å; I87-I180 HydrophobicContact CG2-CG1 4.35Å; I87-I180 HydrophobicContact CG2-CG2 4Å
88Q96.3Very high97.7Very high55 Ų5529.3 Ų29.326%0.25714%0.135SC..Hα-helixtrans-57.3-37.6-176.3-1786528.700112.4I84 N85 I121I84-Q88 WeakPolarHBondContact O-CB 3.49Å; I84-Q88 PolarHBondContact O-N 2.96Å; N85-Q88 PolarHBondContact O-N 3.37Å; Q88-I121 HydrophobicContact CB-CG2 4.32Å; Q88-I121 HydrophobicContact CG-CG2 3.91Å
89H97Very high97.7Very high126 Ų12629.3 Ų29.358%0.58314%0.135SC*.Hα-helixtrans-84.3-19.5-178.6-85.6-89.1000114.6N85 I87 W349N85-H89 PolarHBondContact O-CD2 3.45Å; N85-H89 PolarHBondContact O-N 3.38Å; N85-H89 VanDerWaalsContact O-N 3.13Å; N85-H89 PolarHBondContact OD1-CD2 3.06Å; N85-H89 PolarHBondContact OD1-NE2 2.97Å; I87-H89 PolarHBondContact O-N 3.07Å; H89-W349 HydrophobicContact CB-CE3 4.47Å; H89-W349 HydrophobicContact CB-CH2 3.98Å; H89-W349 HydrophobicContact CB-CZ3 3.44Å; H89-W349 VanDerWaalsContact CB-CZ3 3.44Å; H89-W349 AromaticContact CG-CZ3 3.97Å
90N97.9Very high97.7Very high51 Ų5129.3 Ų29.327%0.27314%0.135SC..Hα-helixtrans-103.88.3-178-68.7-68.7000113.6S86 I87 V176 D179 W349S86-N90 WeakPolarHBondContact O-CB 3.41Å; S86-N90 PolarHBondContact O-N 3.47Å; S86-N90 PolarHBondContact O-ND2 2.82Å; I87-N90 PolarHBondContact O-N 2.91Å; I87-N90 VanDerWaalsContact O-N 3.16Å; N90-V176 PolarHBondContact ND2-O 2.9Å; N90-D179 WeakPolarHBondContact O-CA 3.39Å; N90-W349 WeakPolarHBondContact ND2-CH2 3.14Å; N90-W349 VanDerWaalsContact ND2-CZ2 3.26Å; N90-W349 WeakPolarHBondContact ND2-CZ2 3.36Å
91T96.7Very high97.7Very high18 Ų1829.3 Ų29.311%0.1114%0.135CC..  trans-133.9151.5174.1-166.20000112.1I87 S93 V95 D179 I180I87-T91 HydrophobicContact CG2-CG2 4.49Å; I87-T91 WeakPolarHBondContact O-CG2 3.39Å; I87-T91 PolarHBondContact O-N 2.99Å; T91-S93 WeakPolarHBondContact OG1-CB 3.46Å; T91-S93 PolarHBondContact OG1-N 3.11Å; T91-S93 VanDerWaalsContact OG1-N 3.07Å; T91-S93 PolarHBondContact OG1-OG 3.28Å; T91-V95 HydrophobicContact CG2-CG2 3.76Å; T91-D179 WeakPolarHBondContact CB-OD1 3.44Å; T91-D179 PolarHBondContact OG1-OD1 3.37Å; T91-I180 HydrophobicContact CG2-CG2 3.98Å
92R95.2Very high97.7Very high245 Ų24531.2 Ų31.293%0.92515%0.145SC*.  trans-103.80.6166.4-63.9-177.7-179.8146.2-0.2112.2
93S95.5Very high97.4Very high29 Ų2937.1 Ų37.120%0.20318%0.176CC..SBendtrans-79.8156.7-176.4-59.20000111.4T91 V95 L181T91-S93 WeakPolarHBondContact OG1-CB 3.46Å; T91-S93 PolarHBondContact OG1-N 3.11Å; T91-S93 VanDerWaalsContact OG1-N 3.07Å; T91-S93 PolarHBondContact OG1-OG 3.28Å; S93-V95 PolarHBondContact O-N 3.14Å; S93-L181 WeakPolarHBondContact OG-CB 3.27Å; S93-L181 WeakPolarHBondContact OG-CD2 2.77Å
94N96.1Very high97.2Very high49 Ų4943.1 Ų43.126%0.26221%0.208SC..  trans-76.990.1-178.5-168.629.1000111.3Q63 E65 I66 R122Q63-N94 HydrophobicContact CB-CB 4.41Å; E65-N94 CarbonylContact C-O 3.56Å; E65-N94 WeakPolarHBondContact CA-O 3.32Å; I66-N94 PolarHBondContact N-O 3.44Å; N94-R122 VanDerWaalsContact CG-CZ 3.49Å; N94-R122 PolarHBondContact ND2-NH2 3.37Å; N94-R122 PolarHBondContact OD1-NE 2.96Å; N94-R122 PolarHBondContact OD1-NH2 2.92Å
95V97.8Very high97.1Very high5 Ų543.3 Ų43.33%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-89145179.8-178.40000110.9I66 V68 I87 T91 S93 F97 R122 I180I66-V95 HydrophobicContact CB-CG2 4.34Å; V68-V95 HydrophobicContact CB-CG1 4.35Å; V68-V95 HydrophobicContact CG2-CG1 3.79Å; I87-V95 HydrophobicContact CG2-CG1 4.39Å; I87-V95 HydrophobicContact CG2-CG2 4.35Å; T91-V95 HydrophobicContact CG2-CG2 3.76Å; S93-V95 PolarHBondContact O-N 3.14Å; V95-F97 HydrophobicContact CB-CE2 4.44Å; V95-F97 HydrophobicContact CB-CZ 4.4Å; V95-F97 HydrophobicContact CG1-CD1 4.2Å; V95-F97 HydrophobicContact CG1-CD2 4.27Å; V95-F97 HydrophobicContact CG1-CE1 3.79Å; V95-F97 HydrophobicContact CG1-CE2 3.86Å; V95-F97 HydrophobicContact CG1-CG 4.43Å; V95-F97 HydrophobicContact CG1-CZ 3.61Å; V95-R122 PolarHBondContact O-NE 2.94Å; V95-R122 PolarHBondContact O-NH2 2.8Å; V95-I180 HydrophobicContact CG2-CG2 3.83Å
96I97.9Very high97.1Very high11 Ų1142.8 Ų42.86%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-124.6129.9162.7-171.7171.3000109.3E65 I66 P67 V68 Y98 R122 K124E65-I96 HydrophobicContact CG-CB 3.88Å; E65-I96 HydrophobicContact CG-CG2 3.36Å; E65-I96 WeakPolarHBondContact OE2-CG2 3.46Å; I66-I96 PolarHBondContact O-N 2.86Å; P67-I96 HydrophobicContact CB-CG2 4.31Å; V68-I96 PolarHBondContact N-O 3.15Å; I96-Y98 HydrophobicContact CD1-CE2 4.31Å; I96-Y98 HydrophobicContact CG1-CE2 4.29Å; I96-Y98 HydrophobicContact CG2-CD2 4.21Å; I96-Y98 HydrophobicContact CG2-CE2 3.58Å; I96-R122 WeakPolarHBondContact CA-O 3.36Å; I96-R122 HydrophobicContact CG1-CB 4.49Å; I96-K124 HydrophobicContact CD1-CD 4.09Å; I96-K124 HydrophobicContact CD1-CG 4.3Å
97F98.6Very high97Very high1 Ų147.8 Ų47.80%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-94.5123.8178.5-60.4-79.6000110.8V68 I70 I84 I87 V95 I99 I121 R122 Y123 K124V68-F97 HydrophobicContact CB-CD1 4.03Å; V68-F97 HydrophobicContact CB-CE1 4.31Å; V68-F97 HydrophobicContact CG1-CD1 4.22Å; V68-F97 HydrophobicContact CG1-CE1 4.4Å; V68-F97 CarbonylContact O-C 2.93Å; V68-F97 WeakPolarHBondContact O-CA 3.48Å; I70-F97 HydrophobicContact CD1-CD1 4.37Å; I84-F97 HydrophobicContact CB-CE1 4.41Å; I84-F97 HydrophobicContact CG1-CD1 3.97Å; I84-F97 HydrophobicContact CG1-CE1 4.21Å; I84-F97 HydrophobicContact CG1-CG 4.31Å; I84-F97 HydrophobicContact CG2-CD1 4.41Å; I84-F97 HydrophobicContact CG2-CD2 4.09Å; I84-F97 HydrophobicContact CG2-CE1 4.23Å; I84-F97 HydrophobicContact CG2-CE2 3.91Å; I84-F97 HydrophobicContact CG2-CG 4.33Å; I84-F97 HydrophobicContact CG2-CZ 3.98Å; I87-F97 HydrophobicContact CB-CE1 4.02Å; I87-F97 HydrophobicContact CB-CZ 3.98Å; I87-F97 HydrophobicContact CD1-CE1 3.92Å; I87-F97 HydrophobicContact CG2-CE1 3.89Å; I87-F97 HydrophobicContact CG2-CZ 3.77Å; V95-F97 HydrophobicContact CB-CE2 4.44Å; V95-F97 HydrophobicContact CB-CZ 4.4Å; V95-F97 HydrophobicContact CG1-CD1 4.2Å; V95-F97 HydrophobicContact CG1-CD2 4.27Å; V95-F97 HydrophobicContact CG1-CE1 3.79Å; V95-F97 HydrophobicContact CG1-CE2 3.86Å; V95-F97 HydrophobicContact CG1-CG 4.43Å; V95-F97 HydrophobicContact CG1-CZ 3.61Å; F97-I99 HydrophobicContact CB-CD1 4.45Å; F97-I99 HydrophobicContact CB-CG1 4.06Å; F97-I121 HydrophobicContact CD2-CB 4.35Å; F97-I121 HydrophobicContact CE2-CB 4.29Å; F97-R122 WeakPolarHBondContact CD2-O 3.45Å; F97-R122 PolarHBondContact N-O 3.48Å; F97-Y123 CarbonylContact O-C 3.58Å; F97-Y123 WeakPolarHBondContact O-CA 3.43Å; F97-K124 PolarHBondContact O-N 3.06Å
98Y98.7Very high96.9Very high8 Ų848.1 Ų48.13%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-99.999.5167.5-69.5-95.7000107.9P67 V68 V69 I70 I96 V100 K124 V126 V161P67-Y98 HydrophobicContact CB-CD2 4.19Å; P67-Y98 HydrophobicContact CB-CE2 3.89Å; V68-Y98 PolarHBondContact O-N 2.92Å; V69-Y98 WeakPolarHBondContact CA-O 3.45Å; I70-Y98 PolarHBondContact N-O 3.07Å; I96-Y98 HydrophobicContact CD1-CE2 4.31Å; I96-Y98 HydrophobicContact CG1-CE2 4.29Å; I96-Y98 HydrophobicContact CG2-CD2 4.21Å; I96-Y98 HydrophobicContact CG2-CE2 3.58Å; Y98-V100 PolarHBondContact O-N 3.09Å; Y98-K124 WeakPolarHBondContact CA-O 3.3Å; Y98-K124 HydrophobicContact CD1-CB 3.98Å; Y98-K124 HydrophobicContact CD1-CD 4.03Å; Y98-K124 HydrophobicContact CE1-CB 4.25Å; Y98-K124 HydrophobicContact CE1-CD 3.42Å; Y98-K124 VanDerWaalsContact CE1-CD 3.42Å; Y98-K124 HydrophobicContact CE1-CG 4.4Å; Y98-K124 PolarHBondContact OH-NZ 3.32Å; Y98-V126 HydrophobicContact CD1-CG2 3.94Å; Y98-V161 HydrophobicContact CD1-CB 4.4Å; Y98-V161 HydrophobicContact CD1-CG1 3.34Å; Y98-V161 HydrophobicContact CD2-CG1 3.53Å; Y98-V161 HydrophobicContact CE1-CB 4.32Å; Y98-V161 HydrophobicContact CE1-CG1 3.7Å; Y98-V161 HydrophobicContact CE2-CG1 3.92Å; Y98-V161 HydrophobicContact CG-CB 4.48Å; Y98-V161 HydrophobicContact CG-CG1 3.22Å
99I98.6Very high97Very high0 Ų045.5 Ų45.50%022%0.224CC..EExtended strand (participates in β ladder)trans-94.7104.1-173.9-48.5169.5000107.6I70 A72 I84 F97 L109 L113 Y123 K124 I125 V126I70-I99 CarbonylContact O-C 3.46Å; I70-I99 WeakPolarHBondContact O-CA 3.19Å; A72-I99 HydrophobicContact CB-CG2 3.71Å; I84-I99 HydrophobicContact CD1-CD1 3.57Å; I84-I99 HydrophobicContact CD1-CG1 3.98Å; F97-I99 HydrophobicContact CB-CD1 4.45Å; F97-I99 HydrophobicContact CB-CG1 4.06Å; I99-L109 HydrophobicContact CB-CD2 4.1Å; I99-L109 HydrophobicContact CG2-CD1 4.29Å; I99-L109 HydrophobicContact CG2-CD2 3.5Å; I99-L109 VanDerWaalsContact CG2-CD2 3.5Å; I99-L113 HydrophobicContact CD1-CD1 3.69Å; I99-L113 HydrophobicContact CD1-CD2 3.79Å; I99-L113 HydrophobicContact CD1-CG 4.41Å; I99-Y123 HydrophobicContact CD1-CD2 4.48Å; I99-Y123 HydrophobicContact CD1-CG 4.49Å; I99-K124 PolarHBondContact N-O 3.11Å; I99-I125 WeakPolarHBondContact O-CA 3.44Å; I99-V126 PolarHBondContact O-N 2.92Å
100V98.6Very high97Very high0 Ų045 Ų450%022%0.216CC..EExtended strand (participates in β ladder)trans-89.3118.1-173.5-175.40000109V69 I70 A71 A72 Y98 V126 F128 L150 A153 L160V69-V100 HydrophobicContact CG1-CG2 3.65Å; I70-V100 PolarHBondContact O-N 3.15Å; A71-V100 CarbonylContact C-O 3.36Å; A71-V100 WeakPolarHBondContact CA-O 3.42Å; A72-V100 PolarHBondContact N-O 2.67Å; Y98-V100 PolarHBondContact O-N 3.09Å; V100-V126 CarbonylContact C-O 3.6Å; V100-V126 VanDerWaalsContact CA-O 3.27Å; V100-V126 WeakPolarHBondContact CA-O 3.41Å; V100-V126 HydrophobicContact CG2-CB 4.22Å; V100-F128 HydrophobicContact CG1-CB 3.82Å; V100-F128 HydrophobicContact CG1-CD2 4.16Å; V100-F128 HydrophobicContact CG1-CG 4.4Å; V100-L150 HydrophobicContact CG1-CD2 4.12Å; V100-A153 HydrophobicContact CB-CB 4.45Å; V100-A153 HydrophobicContact CG1-CB 3.91Å; V100-L160 HydrophobicContact CG1-CD1 4.23Å; V100-L160 HydrophobicContact CG1-CD2 4.03Å; V100-L160 HydrophobicContact CG2-CD1 4.02Å; V100-L160 HydrophobicContact CG2-CD2 4.37Å
101T98.1Very high96.9Very high1 Ų145.2 Ų45.21%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-145.3178.1-174.8-1640000111.8A72 T105 A106 L109 I125 V126 N127 F128A72-T101 VanDerWaalsContact O-CB 3.3Å; A72-T101 WeakPolarHBondContact O-CB 3.45Å; A72-T101 PolarHBondContact O-OG1 3.49Å; T101-T105 VanDerWaalsContact OG1-CB 3.25Å; T101-T105 WeakPolarHBondContact OG1-CB 3.46Å; T101-T105 WeakPolarHBondContact OG1-CG2 3.33Å; T101-A106 HydrophobicContact CG2-CB 4.33Å; T101-L109 HydrophobicContact CG2-CD2 4.06Å; T101-I125 HydrophobicContact CG2-CG2 3.74Å; T101-V126 PolarHBondContact N-O 3.36Å; T101-N127 CarbonylContact O-C 3.58Å; T101-N127 WeakPolarHBondContact O-CA 3.43Å; T101-F128 PolarHBondContact O-N 3.25Å
102L96.8Very high96.9Very high40 Ų4044.3 Ų44.321%0.20922%0.216CC..  trans-93.5156.3174-62.6174.9000110.7N104 T105 A106 P130 P149 L150L102-N104 VanDerWaalsContact C-N 3.25Å; L102-N104 VanDerWaalsContact CB-OD1 3.24Å; L102-N104 WeakPolarHBondContact CB-OD1 3.45Å; L102-N104 PolarHBondContact O-N 2.97Å; L102-T105 PolarHBondContact O-N 3Å; L102-A106 PolarHBondContact O-N 2.99Å; L102-P130 HydrophobicContact CD2-CG 3.95Å; L102-P149 HydrophobicContact CD1-CG 4.19Å; L102-P149 HydrophobicContact CD2-CG 4.18Å; L102-L150 HydrophobicContact CD2-CD2 4.49Å; L102-L150 HydrophobicContact CG-CD1 4.2Å; L102-L150 HydrophobicContact CG-CD2 4.48Å; L102-L150 HydrophobicContact CG-CG 4.24Å
103N94.1Very high96.9Very high124 Ų12432.8 Ų32.866%0.66317%0.173SC*.Hα-helixtrans-57.7-37.9-174.3-170.456.2000112.9T105 A106 N127N103-T105 VanDerWaalsContact C-N 3.26Å; N103-T105 PolarHBondContact O-N 3.25Å; N103-A106 PolarHBondContact O-N 2.83Å; N103-N127 WeakPolarHBondContact CA-OD1 3.37Å; N103-N127 WeakPolarHBondContact CB-OD1 3.33Å; N103-N127 PolarHBondContact N-OD1 2.96Å
104N93.9Very high96.9Very high127 Ų12736.4 Ų36.468%0.67919%0.19SC*.Hα-helixtrans-71.4-16.3178.163.6-31000114.1L102L102-N104 VanDerWaalsContact C-N 3.25Å; L102-N104 VanDerWaalsContact CB-OD1 3.24Å; L102-N104 WeakPolarHBondContact CB-OD1 3.45Å; L102-N104 PolarHBondContact O-N 2.97Å
105T96.5Very high96.7Very high3 Ų335.2 Ų35.22%0.01819%0.186CC..Hα-helixtrans-95.7-21.1177.4-660000112.5E74 L77 T101 L102 N103 D107 H108 L109E74-T105 HydrophobicContact CB-CG2 4.46Å; E74-T105 WeakPolarHBondContact CB-OG1 3.48Å; E74-T105 VanDerWaalsContact OE2-CA 3.22Å; E74-T105 WeakPolarHBondContact OE2-CA 3.37Å; E74-T105 WeakPolarHBondContact OE2-CB 3.32Å; E74-T105 WeakPolarHBondContact OE2-CG2 3.45Å; E74-T105 PolarHBondContact OE2-OG1 2.86Å; L77-T105 HydrophobicContact CD1-CG2 4.02Å; L77-T105 HydrophobicContact CD2-CG2 3.82Å; L77-T105 HydrophobicContact CG-CG2 4.14Å; T101-T105 VanDerWaalsContact OG1-CB 3.25Å; T101-T105 WeakPolarHBondContact OG1-CB 3.46Å; T101-T105 WeakPolarHBondContact OG1-CG2 3.33Å; L102-T105 PolarHBondContact O-N 3Å; N103-T105 VanDerWaalsContact C-N 3.26Å; N103-T105 PolarHBondContact O-N 3.25Å; T105-D107 VanDerWaalsContact C-N 3.33Å; T105-D107 PolarHBondContact O-N 3.12Å; T105-H108 PolarHBondContact O-N 3.29Å; T105-L109 PolarHBondContact O-N 2.86Å
106A97.1Very high96.3Very high5 Ų540.9 Ų40.94%0.04122%0.216CC..Hα-helixtrans-56.6-41-172.200000113.7T101 L102 N103 L109 R110 I125T101-A106 HydrophobicContact CG2-CB 4.33Å; L102-A106 PolarHBondContact O-N 2.99Å; N103-A106 PolarHBondContact O-N 2.83Å; A106-L109 PolarHBondContact O-N 3.38Å; A106-R110 VanDerWaalsContact O-CG 3.27Å; A106-R110 WeakPolarHBondContact O-CG 3.49Å; A106-R110 PolarHBondContact O-N 3.4Å; A106-I125 HydrophobicContact CB-CG2 4.3Å
107D96.8Very high95.8Very high104 Ų10444 Ų4456%0.55624%0.239SC*.Hα-helixtrans-72.7-36.9-177.9-68.8-27.6000113.2T105 R110 S111T105-D107 VanDerWaalsContact C-N 3.33Å; T105-D107 PolarHBondContact O-N 3.12Å; D107-R110 PolarHBondContact O-N 3.03Å; D107-R110 IonicContact OD1-CZ 2.77Å; D107-R110 IonicContact OD1-NH1 2.99Å; D107-R110 PolarHBondContact OD1-NH1 3.12Å; D107-S111 PolarHBondContact O-N 3Å; D107-S111 PolarHBondContact O-OG 2.86Å
108H97.4Very high95.5Very high9 Ų944 Ų444%0.04224%0.239CC..Hα-helixtrans-64.4-47.1173.3-177-168.5000110.2E74 L77 T105 R110 S111 W112 D353 T355E74-H108 IonicContact OE1-CE1 2.88Å; E74-H108 IonicContact OE1-CG 2.66Å; E74-H108 IonicContact OE1-ND1 3.2Å; E74-H108 PolarHBondContact OE1-ND1 2.94Å; E74-H108 IonicContact OE2-ND1 3.11Å; L77-H108 HydrophobicContact CD1-CB 4.26Å; L77-H108 WeakPolarHBondContact CD1-ND1 3.38Å; T105-H108 PolarHBondContact O-N 3.29Å; H108-R110 PolarHBondContact O-N 2.98Å; H108-S111 WeakPolarHBondContact O-CB 3.35Å; H108-S111 PolarHBondContact O-N 3.07Å; H108-W112 PolarHBondContact O-N 3.27Å; H108-D353 IonicContact CD2-OD1 2.68Å; H108-D353 IonicContact CE1-OD2 3.36Å; H108-D353 IonicContact NE2-OD1 3.83Å; H108-D353 PolarHBondContact NE2-OD1 3.35Å; H108-D353 IonicContact NE2-OD2 3.12Å; H108-D353 PolarHBondContact NE2-OD2 3.29Å; H108-T355 PolarHBondContact CD2-OG1 2.91Å; H108-T355 PolarHBondContact NE2-OG1 3.02Å
109L97.7Very high94.9Very high0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-57-46.7174.3174.562.7000112.1L77 I81 I99 T101 T105 A106 S111 W112 L113 I125L77-L109 HydrophobicContact CD2-CB 4.26Å; L77-L109 HydrophobicContact CD2-CD1 4.09Å; I81-L109 HydrophobicContact CD1-CD1 4.2Å; I99-L109 HydrophobicContact CB-CD2 4.1Å; I99-L109 HydrophobicContact CG2-CD1 4.29Å; I99-L109 HydrophobicContact CG2-CD2 3.5Å; I99-L109 VanDerWaalsContact CG2-CD2 3.5Å; T101-L109 HydrophobicContact CG2-CD2 4.06Å; T105-L109 PolarHBondContact O-N 2.86Å; A106-L109 PolarHBondContact O-N 3.38Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.41Å; L109-W112 PolarHBondContact O-N 3.48Å; L109-W112 VanDerWaalsContact O-N 3.15Å; L109-L113 HydrophobicContact CD1-CD1 3.74Å; L109-L113 HydrophobicContact CD1-CD2 4.25Å; L109-L113 HydrophobicContact CD1-CG 3.86Å; L109-L113 HydrophobicContact CD2-CD1 4.3Å; L109-L113 HydrophobicContact CG-CD1 3.66Å; L109-L113 HydrophobicContact CG-CG 4.23Å; L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 3.24Å; L109-I125 HydrophobicContact CD2-CD1 4.01Å; L109-I125 HydrophobicContact CD2-CG1 3.97Å; L109-I125 HydrophobicContact CD2-CG2 4.22Å; L109-I125 HydrophobicContact CG-CD1 4.16Å
110R96.7Very high94.4Very high115 Ų11554.8 Ų54.843%0.43430%0.296SS..Hα-helixtrans-56.8-42.9176.3-76.7173.5-172.1137.40.3112.3A106 D107 H108 W112 L113 N114 I125A106-R110 VanDerWaalsContact O-CG 3.27Å; A106-R110 WeakPolarHBondContact O-CG 3.49Å; A106-R110 PolarHBondContact O-N 3.4Å; D107-R110 PolarHBondContact O-N 3.03Å; D107-R110 IonicContact OD1-CZ 2.77Å; D107-R110 IonicContact OD1-NH1 2.99Å; D107-R110 PolarHBondContact OD1-NH1 3.12Å; H108-R110 PolarHBondContact O-N 2.98Å; R110-W112 VanDerWaalsContact C-N 3.26Å; R110-W112 PolarHBondContact O-N 3.24Å; R110-L113 PolarHBondContact O-N 2.88Å; R110-N114 WeakPolarHBondContact O-CB 3.43Å; R110-N114 VanDerWaalsContact O-CG 3.22Å; R110-N114 PolarHBondContact O-N 2.87Å; R110-N114 PolarHBondContact O-ND2 2.96Å; R110-I125 HydrophobicContact CB-CD1 4.43Å; R110-I125 HydrophobicContact CG-CD1 3.31Å
111S95.8Very high94.3Very high55 Ų5555.3 Ų55.339%0.38530%0.299SS..Hα-helixtrans-59.2-40.9179-57.20000111.1D107 H108 L109D107-S111 PolarHBondContact O-N 3Å; D107-S111 PolarHBondContact O-OG 2.86Å; H108-S111 WeakPolarHBondContact O-CB 3.35Å; H108-S111 PolarHBondContact O-N 3.07Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.41Å
112W96.6Very high94.2Very high0 Ų059.5 Ų59.50%032%0.315CS..Hα-helixtrans-70.4-44.8177.5-146.1-26.5000112.9L77 G78 I81 H108 L109 R110 N114 S115 Y350 I351 P352 D353 F358L77-W112 HydrophobicContact CB-CE3 3.95Å; L77-W112 HydrophobicContact CB-CH2 4.5Å; L77-W112 HydrophobicContact CB-CZ3 3.53Å; L77-W112 HydrophobicContact CD1-CE3 4.34Å; L77-W112 HydrophobicContact CD1-CZ3 4.47Å; G78-W112 VanDerWaalsContact CA-CH2 3.42Å; I81-W112 HydrophobicContact CD1-CB 4.32Å; I81-W112 HydrophobicContact CD1-CD2 4.43Å; I81-W112 HydrophobicContact CD1-CG 4.15Å; I81-W112 HydrophobicContact CG1-CD2 3.78Å; I81-W112 HydrophobicContact CG1-CE3 4.13Å; I81-W112 HydrophobicContact CG1-CG 4Å; I81-W112 HydrophobicContact CG1-CZ2 4.49Å; H108-W112 PolarHBondContact O-N 3.27Å; L109-W112 PolarHBondContact O-N 3.48Å; L109-W112 VanDerWaalsContact O-N 3.15Å; R110-W112 VanDerWaalsContact C-N 3.26Å; R110-W112 PolarHBondContact O-N 3.24Å; W112-N114 PolarHBondContact O-N 2.93Å; W112-S115 VanDerWaalsContact O-CB 3.23Å; W112-S115 WeakPolarHBondContact O-CB 3.5Å; W112-S115 PolarHBondContact O-N 3.46Å; W112-S115 VanDerWaalsContact O-N 3.1Å; W112-S115 PolarHBondContact O-OG 2.9Å; W112-Y350 HydrophobicContact CZ2-CE2 4.11Å; W112-I351 WeakPolarHBondContact CZ2-O 3.36Å; W112-I351 PolarHBondContact NE1-O 2.9Å; W112-I351 VanDerWaalsContact NE1-O 3.08Å; W112-P352 PolarHBondContact NE1-O 3.05Å; W112-D353 HydrophobicContact CD2-CB 4.21Å; W112-D353 VanDerWaalsContact CE2-CA 3.48Å; W112-D353 HydrophobicContact CE3-CB 4.16Å; W112-D353 HydrophobicContact CH2-CB 3.69Å; W112-D353 HydrophobicContact CZ2-CB 3.69Å; W112-D353 HydrophobicContact CZ3-CB 3.91Å; W112-F358 HydrophobicContact CH2-CB 3.72Å; W112-F358 AromaticContact CH2-CD1 3.65Å; W112-F358 HydrophobicContact CH2-CD1 3.65Å; W112-F358 HydrophobicContact CH2-CE1 4.42Å; W112-F358 AromaticContact CH2-CG 3.73Å; W112-F358 HydrophobicContact CH2-CG 3.73Å; W112-F358 HydrophobicContact CZ3-CB 3.77Å; W112-F358 HydrophobicContact CZ3-CD1 4.45Å; W112-F358 HydrophobicContact CZ3-CG 4.08Å
113L96.4Very high94.3Very high3 Ų361.1 Ų61.12%0.01632%0.319CS..Hα-helixtrans-66.5-23179.9-62.9168.7000113I81 I99 L109 R110 S115 L118 I121 Y123 I125I81-L113 HydrophobicContact CD1-CD2 3.73Å; I81-L113 HydrophobicContact CD1-CG 4.39Å; I99-L113 HydrophobicContact CD1-CD1 3.69Å; I99-L113 HydrophobicContact CD1-CD2 3.79Å; I99-L113 HydrophobicContact CD1-CG 4.41Å; L109-L113 HydrophobicContact CD1-CD1 3.74Å; L109-L113 HydrophobicContact CD1-CD2 4.25Å; L109-L113 HydrophobicContact CD1-CG 3.86Å; L109-L113 HydrophobicContact CD2-CD1 4.3Å; L109-L113 HydrophobicContact CG-CD1 3.66Å; L109-L113 HydrophobicContact CG-CG 4.23Å; L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 3.24Å; R110-L113 PolarHBondContact O-N 2.88Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.68Å; L113-L118 HydrophobicContact CD2-CD1 4.31Å; L113-I121 HydrophobicContact CD2-CD1 3.55Å; L113-Y123 HydrophobicContact CB-CE1 4.03Å; L113-Y123 HydrophobicContact CB-CE2 4.45Å; L113-Y123 HydrophobicContact CD1-CD1 4.5Å; L113-Y123 HydrophobicContact CD1-CD2 3.69Å; L113-Y123 HydrophobicContact CD1-CE1 4.34Å; L113-Y123 HydrophobicContact CD1-CE2 3.53Å; L113-Y123 HydrophobicContact CD1-CG 4.18Å; L113-I125 HydrophobicContact CD1-CD1 4.07Å; L113-I125 HydrophobicContact CD1-CG1 4.22Å
114N94.3Very high94.4Very high105 Ų10559.8 Ų59.856%0.56131%0.307SS*.THydrogen-bonded Turntrans-80.3-2.9174.9-72.9-18.4000113.9R110 W112R110-N114 WeakPolarHBondContact O-CB 3.43Å; R110-N114 VanDerWaalsContact O-CG 3.22Å; R110-N114 PolarHBondContact O-N 2.87Å; R110-N114 PolarHBondContact O-ND2 2.96Å; W112-N114 PolarHBondContact O-N 2.93Å
115S91.7Very high94.6Very high24 Ų2455.7 Ų55.717%0.16829%0.285CS..SBendtrans-62.8150.5175.464.50000112.1W112 L113 S117 L118 K119W112-S115 VanDerWaalsContact O-CB 3.23Å; W112-S115 WeakPolarHBondContact O-CB 3.5Å; W112-S115 PolarHBondContact O-N 3.46Å; W112-S115 VanDerWaalsContact O-N 3.1Å; W112-S115 PolarHBondContact O-OG 2.9Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.68Å; S115-S117 PolarHBondContact O-N 2.78Å; S115-S117 VanDerWaalsContact O-N 3.16Å; S115-L118 PolarHBondContact O-N 3.13Å; S115-K119 PolarHBondContact O-N 2.96Å
116D89.8Confident94.7Very high124 Ų12456.8 Ų56.866%0.66329%0.292SS*.G310 helixtrans-54-37.8-178.6-72.1-35.1000112.9L118 K119D116-L118 PolarHBondContact O-N 2.91Å; D116-K119 PolarHBondContact O-N 3.38Å; D116-K119 WeakPolarHBondContact OD1-CE 3.33Å; D116-K119 IonicContact OD1-NZ 2.83Å; D116-K119 PolarHBondContact OD1-NZ 2.82Å
117S88.6Confident94.7Very high77 Ų7760.6 Ų60.654%0.53831%0.311SS..G310 helixtrans-64.5-19.2179.2-54.10000114.1S115S115-S117 PolarHBondContact O-N 2.78Å; S115-S117 VanDerWaalsContact O-N 3.16Å
118L91.8Very high94.8Very high1 Ų155.7 Ų55.71%0.00529%0.285CS..G310 helixtrans-117.72.2-175.7-66.1176.1000113.5I81 L113 S115 D116 S120 I121 I351I81-L118 HydrophobicContact CD1-CD1 3.96Å; I81-L118 HydrophobicContact CG2-CD1 3.97Å; L113-L118 HydrophobicContact CD2-CD1 4.31Å; S115-L118 PolarHBondContact O-N 3.13Å; D116-L118 PolarHBondContact O-N 2.91Å; L118-S120 PolarHBondContact O-N 2.78Å; L118-I121 HydrophobicContact CB-CD1 4.03Å; L118-I121 HydrophobicContact CD2-CD1 4.26Å; L118-I121 HydrophobicContact CD2-CG2 4.12Å; L118-I121 VanDerWaalsContact O-CG1 3.29Å; L118-I121 WeakPolarHBondContact O-CG1 3.49Å; L118-I121 PolarHBondContact O-N 3.03Å; L118-I351 HydrophobicContact CD1-CD1 4.07Å; L118-I351 HydrophobicContact CD2-CD1 3.5Å; L118-I351 VanDerWaalsContact CD2-CD1 3.5Å; L118-I351 HydrophobicContact CG-CD1 3.67Å
119K85.8Confident94.7Very high147 Ų14758.7 Ų58.764%0.63930%0.301SS*.THydrogen-bonded Turntrans-54.5-28.3-176.9-81.1-179.3172.9173.40115S115 D116S115-K119 PolarHBondContact O-N 2.96Å; D116-K119 PolarHBondContact O-N 3.38Å; D116-K119 WeakPolarHBondContact OD1-CE 3.33Å; D116-K119 IonicContact OD1-NZ 2.83Å; D116-K119 PolarHBondContact OD1-NZ 2.82Å
120S88.7Confident94.5Very high86 Ų8661.8 Ų61.860%0.60132%0.321SS*.THydrogen-bonded Turntrans-87.1-8.6-177.663.30000114.4L118L118-S120 PolarHBondContact O-N 2.78Å
121I95.4Very high94.3Very high11 Ų1163.9 Ų63.96%0.05633%0.334CS..  trans-75.8143.1-178.379.7-173.7000109.8I84 Q88 F97 L113 L118 Y123I84-I121 HydrophobicContact CG2-CD1 3.93Å; I84-I121 HydrophobicContact CG2-CG2 4.4Å; Q88-I121 HydrophobicContact CB-CG2 4.32Å; Q88-I121 HydrophobicContact CG-CG2 3.91Å; F97-I121 HydrophobicContact CD2-CB 4.35Å; F97-I121 HydrophobicContact CE2-CB 4.29Å; L113-I121 HydrophobicContact CD2-CD1 3.55Å; L118-I121 HydrophobicContact CB-CD1 4.03Å; L118-I121 HydrophobicContact CD2-CD1 4.26Å; L118-I121 HydrophobicContact CD2-CG2 4.12Å; L118-I121 VanDerWaalsContact O-CG1 3.29Å; L118-I121 WeakPolarHBondContact O-CG1 3.49Å; L118-I121 PolarHBondContact O-N 3.03Å; I121-Y123 HydrophobicContact CD1-CD1 4.12Å; I121-Y123 HydrophobicContact CG1-CD1 3.77Å; I121-Y123 HydrophobicContact CG1-CE1 4.48Å
122R96.7Very high94.2Very high90 Ų9063.3 Ų63.334%0.3433%0.326SS..  trans-99.1124.3171.5-58.3-171.7-52.5129.817.6108.7E65 N94 V95 I96 F97E65-R122 IonicContact OE1-CZ 3.17Å; E65-R122 IonicContact OE1-NH1 2.64Å; E65-R122 PolarHBondContact OE1-NH1 3.21Å; E65-R122 IonicContact OE1-NH2 3.94Å; E65-R122 PolarHBondContact OE1-NH2 3.47Å; N94-R122 VanDerWaalsContact CG-CZ 3.49Å; N94-R122 PolarHBondContact ND2-NH2 3.37Å; N94-R122 PolarHBondContact OD1-NE 2.96Å; N94-R122 PolarHBondContact OD1-NH2 2.92Å; V95-R122 PolarHBondContact O-NE 2.94Å; V95-R122 PolarHBondContact O-NH2 2.8Å; I96-R122 WeakPolarHBondContact CA-O 3.36Å; I96-R122 HydrophobicContact CG1-CB 4.49Å; F97-R122 WeakPolarHBondContact CD2-O 3.45Å; F97-R122 PolarHBondContact N-O 3.48Å
123Y97.8Very high94.1Very high73 Ų7363.5 Ų63.529%0.28633%0.327SS..EExtended strand (participates in β ladder)trans-144.5162-175.271.1-88.4000113.1F97 I99 L113 I121 I125F97-Y123 CarbonylContact O-C 3.58Å; F97-Y123 WeakPolarHBondContact O-CA 3.43Å; I99-Y123 HydrophobicContact CD1-CD2 4.48Å; I99-Y123 HydrophobicContact CD1-CG 4.49Å; L113-Y123 HydrophobicContact CB-CE1 4.03Å; L113-Y123 HydrophobicContact CB-CE2 4.45Å; L113-Y123 HydrophobicContact CD1-CD1 4.5Å; L113-Y123 HydrophobicContact CD1-CD2 3.69Å; L113-Y123 HydrophobicContact CD1-CE1 4.34Å; L113-Y123 HydrophobicContact CD1-CE2 3.53Å; L113-Y123 HydrophobicContact CD1-CG 4.18Å; I121-Y123 HydrophobicContact CD1-CD1 4.12Å; I121-Y123 HydrophobicContact CG1-CD1 3.77Å; I121-Y123 HydrophobicContact CG1-CE1 4.48Å; Y123-I125 HydrophobicContact CD2-CG1 3.96Å; Y123-I125 HydrophobicContact CE2-CD1 4.06Å; Y123-I125 HydrophobicContact CE2-CG1 3.9Å
124K98Very high93.9Very high97 Ų9770.8 Ų70.842%0.42236%0.361SS..EExtended strand (participates in β ladder)trans-134125.7166.9-70.9174.1179.4173.80107.8I96 F97 Y98 I99I96-K124 HydrophobicContact CD1-CD 4.09Å; I96-K124 HydrophobicContact CD1-CG 4.3Å; F97-K124 PolarHBondContact O-N 3.06Å; Y98-K124 WeakPolarHBondContact CA-O 3.3Å; Y98-K124 HydrophobicContact CD1-CB 3.98Å; Y98-K124 HydrophobicContact CD1-CD 4.03Å; Y98-K124 HydrophobicContact CE1-CB 4.25Å; Y98-K124 HydrophobicContact CE1-CD 3.42Å; Y98-K124 VanDerWaalsContact CE1-CD 3.42Å; Y98-K124 HydrophobicContact CE1-CG 4.4Å; Y98-K124 PolarHBondContact OH-NZ 3.32Å; I99-K124 PolarHBondContact N-O 3.11Å
125I98.3Very high93.8Very high40 Ų4068.6 Ų68.621%0.20536%0.363CS..EExtended strand (participates in β ladder)trans-82.9122.9170.3-60.4175.8000107.4I99 T101 A106 L109 R110 L113 Y123I99-I125 WeakPolarHBondContact O-CA 3.44Å; T101-I125 HydrophobicContact CG2-CG2 3.74Å; A106-I125 HydrophobicContact CB-CG2 4.3Å; L109-I125 HydrophobicContact CD2-CD1 4.01Å; L109-I125 HydrophobicContact CD2-CG1 3.97Å; L109-I125 HydrophobicContact CD2-CG2 4.22Å; L109-I125 HydrophobicContact CG-CD1 4.16Å; R110-I125 HydrophobicContact CB-CD1 4.43Å; R110-I125 HydrophobicContact CG-CD1 3.31Å; L113-I125 HydrophobicContact CD1-CD1 4.07Å; L113-I125 HydrophobicContact CD1-CG1 4.22Å; Y123-I125 HydrophobicContact CD2-CG1 3.96Å; Y123-I125 HydrophobicContact CE2-CD1 4.06Å; Y123-I125 HydrophobicContact CE2-CG1 3.9Å
126V98.2Very high93.9Very high27 Ų2768.7 Ų68.716%0.16436%0.361CS..EExtended strand (participates in β ladder)trans-112.9119.2-178.7-176.20000108.2Y98 I99 V100 T101 F128 L160Y98-V126 HydrophobicContact CD1-CG2 3.94Å; I99-V126 PolarHBondContact O-N 2.92Å; V100-V126 CarbonylContact C-O 3.6Å; V100-V126 VanDerWaalsContact CA-O 3.27Å; V100-V126 WeakPolarHBondContact CA-O 3.41Å; V100-V126 HydrophobicContact CG2-CB 4.22Å; T101-V126 PolarHBondContact N-O 3.36Å; V126-F128 PolarHBondContact O-N 3.42Å; V126-L160 HydrophobicContact CG1-CB 4.37Å; V126-L160 HydrophobicContact CG1-CD2 3.63Å
127N97.2Very high93.9Very high85 Ų8563.9 Ų63.946%0.45534%0.335SS..EExtended strand (participates in β ladder)trans-76.2124.6174.9-177.271.3000110.1T101 N103T101-N127 CarbonylContact O-C 3.58Å; T101-N127 WeakPolarHBondContact O-CA 3.43Å; N103-N127 WeakPolarHBondContact CA-OD1 3.37Å; N103-N127 WeakPolarHBondContact CB-OD1 3.33Å; N103-N127 PolarHBondContact N-OD1 2.96Å
128F97.3Very high93.4Very high1 Ų165 Ų650%0.00433%0.331CS..  trans-81.9128.4171.3-171-101.8000109.7V100 T101 V126 P130 L132 L133 P149 L150 F152 A153 Y156 L160V100-F128 HydrophobicContact CG1-CB 3.82Å; V100-F128 HydrophobicContact CG1-CD2 4.16Å; V100-F128 HydrophobicContact CG1-CG 4.4Å; T101-F128 PolarHBondContact O-N 3.25Å; V126-F128 PolarHBondContact O-N 3.42Å; F128-P130 VanDerWaalsContact O-CD 3.29Å; F128-P130 WeakPolarHBondContact O-CD 3.41Å; F128-L132 HydrophobicContact CE2-CD1 4.24Å; F128-L132 HydrophobicContact CZ-CD1 4.46Å; F128-L133 HydrophobicContact CE1-CD1 4.06Å; F128-L133 HydrophobicContact CE1-CG 4.27Å; F128-L133 HydrophobicContact CZ-CD1 4.45Å; F128-L133 HydrophobicContact CZ-CD2 4.35Å; F128-L133 HydrophobicContact CZ-CG 4.39Å; F128-P149 HydrophobicContact CD1-CB 4.15Å; F128-P149 HydrophobicContact CE1-CB 3.95Å; F128-L150 HydrophobicContact CB-CD2 3.61Å; F128-L150 HydrophobicContact CD1-CD2 4.39Å; F128-L150 HydrophobicContact CG-CD2 4.07Å; F128-F152 HydrophobicContact CZ-CB 4.37Å; F128-A153 HydrophobicContact CD2-CB 4.18Å; F128-A153 HydrophobicContact CE2-CB 4.28Å; F128-Y156 AromaticContact CE2-CD2 3.79Å; F128-Y156 HydrophobicContact CE2-CD2 3.79Å; F128-Y156 HydrophobicContact CE2-CE2 4.42Å; F128-Y156 HydrophobicContact CE2-CG 4.45Å; F128-Y156 HydrophobicContact CZ-CD2 4.04Å; F128-Y156 HydrophobicContact CZ-CE2 4.21Å; F128-L160 HydrophobicContact CD2-CD2 4.3Å
129D95.4Very high92.3Very high71 Ų7173.2 Ų73.238%0.3837%0.369SS..  trans-89.7109.4174.7-176.62000110.3K131 L132D129-K131 PolarHBondContact O-N 2.71Å; D129-K131 VanDerWaalsContact O-N 3.15Å; D129-K131 VanDerWaalsContact OD1-CB 3.27Å; D129-K131 WeakPolarHBondContact OD1-CB 3.49Å; D129-K131 WeakPolarHBondContact OD1-CG 3.49Å; D129-K131 PolarHBondContact OD1-N 3.23Å; D129-L132 HydrophobicContact CB-CG 4.38Å; D129-L132 WeakPolarHBondContact O-CB 3.41Å; D129-L132 WeakPolarHBondContact O-CG 3.36Å; D129-L132 PolarHBondContact O-N 3.43Å; D129-L132 VanDerWaalsContact O-N 3.13Å
130P93.2Very high91Very high66 Ų6669.4 Ų69.443%0.42936%0.356SS..G310 helixtrans-63.1-19.2179.3-21.535.5000113.6L102 F128 L132 L133 P149L102-P130 HydrophobicContact CD2-CG 3.95Å; F128-P130 VanDerWaalsContact O-CD 3.29Å; F128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-L132 PolarHBondContact O-N 3.18Å; P130-L132 VanDerWaalsContact O-N 3.15Å; P130-L133 WeakPolarHBondContact O-CB 3.34Å; P130-L133 PolarHBondContact O-N 2.94Å; P130-P149 HydrophobicContact CB-CB 4.35Å
131K93.6Very high89.2Confident158 Ų15870.8 Ų70.869%0.68736%0.363SS*.G310 helixtrans-60.6-22.7175.2-64.3179.5178-177.40112.6D129 L133 E134D129-K131 PolarHBondContact O-N 2.71Å; D129-K131 VanDerWaalsContact O-N 3.15Å; D129-K131 VanDerWaalsContact OD1-CB 3.27Å; D129-K131 WeakPolarHBondContact OD1-CB 3.49Å; D129-K131 WeakPolarHBondContact OD1-CG 3.49Å; D129-K131 PolarHBondContact OD1-N 3.23Å; K131-L133 PolarHBondContact O-N 2.67Å; K131-E134 WeakPolarHBondContact O-CB 3.35Å; K131-E134 PolarHBondContact O-N 3.48Å
132L94.5Very high87Confident43 Ų4377.7 Ų77.723%0.22540%0.4CS..G310 helixtrans-57.4-21.4171.3-67.2174.7000112.6F128 D129 P130 K136 Y156F128-L132 HydrophobicContact CE2-CD1 4.24Å; F128-L132 HydrophobicContact CZ-CD1 4.46Å; D129-L132 HydrophobicContact CB-CG 4.38Å; D129-L132 WeakPolarHBondContact O-CB 3.41Å; D129-L132 WeakPolarHBondContact O-CG 3.36Å; D129-L132 PolarHBondContact O-N 3.43Å; D129-L132 VanDerWaalsContact O-N 3.13Å; P130-L132 PolarHBondContact O-N 3.18Å; P130-L132 VanDerWaalsContact O-N 3.15Å; L132-K136 VanDerWaalsContact O-CD 3.29Å; L132-K136 WeakPolarHBondContact O-CD 3.35Å; L132-K136 VanDerWaalsContact O-CE 3.3Å; L132-K136 WeakPolarHBondContact O-CE 3.49Å; L132-K136 PolarHBondContact O-NZ 3.09Å; L132-Y156 HydrophobicContact CB-CE1 4.26Å; L132-Y156 HydrophobicContact CB-CE2 4.34Å; L132-Y156 HydrophobicContact CD1-CD1 4.11Å; L132-Y156 HydrophobicContact CD1-CD2 4.44Å; L132-Y156 HydrophobicContact CD1-CE1 4.26Å; L132-Y156 HydrophobicContact CD1-CG 4.19Å; L132-Y156 HydrophobicContact CD2-CE1 4.42Å; L132-Y156 PolarHBondContact O-OH 3.18Å
133L94.6Very high84.8Confident4 Ų479.5 Ų79.52%0.02141%0.412CS..G310 helixtrans-98.7-5.1-176.8-53.3-178.4000113.9F128 P130 K131 G135 K136 V137 M147 P149 F152 Y156 M266F128-L133 HydrophobicContact CE1-CD1 4.06Å; F128-L133 HydrophobicContact CE1-CG 4.27Å; F128-L133 HydrophobicContact CZ-CD1 4.45Å; F128-L133 HydrophobicContact CZ-CD2 4.35Å; F128-L133 HydrophobicContact CZ-CG 4.39Å; P130-L133 WeakPolarHBondContact O-CB 3.34Å; P130-L133 PolarHBondContact O-N 2.94Å; K131-L133 PolarHBondContact O-N 2.67Å; L133-G135 PolarHBondContact O-N 3.18Å; L133-K136 WeakPolarHBondContact O-CB 3.37Å; L133-K136 PolarHBondContact O-N 3.2Å; L133-V137 HydrophobicContact CB-CG2 4.21Å; L133-M147 HydrophobicContact CB-SD 4.4Å; L133-M147 HydrophobicContact CD1-SD 3.72Å; L133-P149 HydrophobicContact CD1-CB 3.7Å; L133-F152 HydrophobicContact CD1-CB 4.18Å; L133-F152 HydrophobicContact CD1-CD2 3.61Å; L133-F152 HydrophobicContact CD1-CE2 4.29Å; L133-F152 HydrophobicContact CD1-CG 4.08Å; L133-F152 HydrophobicContact CD2-CB 3.59Å; L133-F152 HydrophobicContact CD2-CD1 4.22Å; L133-F152 HydrophobicContact CD2-CD2 4.08Å; L133-F152 HydrophobicContact CD2-CG 3.71Å; L133-Y156 HydrophobicContact CD2-CE2 4.01Å; L133-M266 HydrophobicContact CD2-CE 3.92Å
134E92.3Very high82.1Confident156 Ų15679.7 Ų79.773%0.72944%0.437SS*.THydrogen-bonded Turntrans-58125.2-176.7-170.5173.8-171.100111.5K131 K136K131-E134 WeakPolarHBondContact O-CB 3.35Å; K131-E134 PolarHBondContact O-N 3.48Å; E134-K136 PolarHBondContact O-N 3.12Å
135G91.3Very high79.9Confident59 Ų5981.4 Ų81.461%0.60845%0.446SS*.THydrogen-bonded Turntrans68.96.2-176.400000115.4L133L133-G135 PolarHBondContact O-N 3.18Å
136K93.8Very high78.1Confident27 Ų2784.6 Ų84.612%0.11747%0.472CS..THydrogen-bonded Turntrans-110.4-15-177.8-53177.3-164.6161.10113L132 L133 E134 E263 M266 K267 V270L132-K136 VanDerWaalsContact O-CD 3.29Å; L132-K136 WeakPolarHBondContact O-CD 3.35Å; L132-K136 VanDerWaalsContact O-CE 3.3Å; L132-K136 WeakPolarHBondContact O-CE 3.49Å; L132-K136 PolarHBondContact O-NZ 3.09Å; L133-K136 WeakPolarHBondContact O-CB 3.37Å; L133-K136 PolarHBondContact O-N 3.2Å; E134-K136 PolarHBondContact O-N 3.12Å; K136-E263 HydrophobicContact CD-CB 4.24Å; K136-E263 HydrophobicContact CD-CG 4.07Å; K136-E263 WeakPolarHBondContact CE-OE2 3.28Å; K136-E263 IonicContact NZ-OE1 2.76Å; K136-E263 PolarHBondContact NZ-OE1 2.68Å; K136-E263 IonicContact NZ-OE2 3.69Å; K136-E263 PolarHBondContact NZ-OE2 3.17Å; K136-M266 HydrophobicContact CB-CB 4.06Å; K136-M266 HydrophobicContact CB-CE 3.75Å; K136-M266 CarbonylContact O-C 3.56Å; K136-M266 WeakPolarHBondContact O-CB 3.5Å; K136-K267 HydrophobicContact CB-CG 4.3Å; K136-K267 HydrophobicContact CG-CD 4.43Å; K136-K267 HydrophobicContact CG-CG 3.83Å; K136-V270 VanDerWaalsContact C-CG2 3.43Å; K136-V270 WeakPolarHBondContact O-CG2 3.43Å
137V88.9Confident76.8Confident22 Ų2286.2 Ų86.213%0.13348%0.479CS..SBendtrans-128.4136.4-180-174.30000108.3L133 E139 M147 F152 M266 I283L133-V137 HydrophobicContact CB-CG2 4.21Å; V137-E139 PolarHBondContact O-N 3.37Å; V137-M147 HydrophobicContact CB-CE 3.75Å; V137-M147 HydrophobicContact CB-SD 4.12Å; V137-M147 HydrophobicContact CG1-CE 3.9Å; V137-M147 HydrophobicContact CG1-CG 4.01Å; V137-M147 HydrophobicContact CG1-SD 4.04Å; V137-M147 HydrophobicContact CG2-SD 4.37Å; V137-F152 HydrophobicContact CB-CZ 4.38Å; V137-F152 HydrophobicContact CG1-CE2 4.22Å; V137-F152 HydrophobicContact CG1-CZ 3.95Å; V137-F152 HydrophobicContact CG2-CE1 3.87Å; V137-F152 HydrophobicContact CG2-CE2 3.81Å; V137-F152 HydrophobicContact CG2-CZ 3.44Å; V137-F152 VanDerWaalsContact CG2-CZ 3.44Å; V137-M266 HydrophobicContact CG2-CE 3.65Å; V137-I283 HydrophobicContact CG1-CD1 4.22Å
138K79.8Confident76.3Confident101 Ų10186.6 Ų86.644%0.43948%0.476SS..  trans-69.8128.8173-69.2-165.7178.7-162.60109D140 N269 V270K138-D140 PolarHBondContact O-N 2.94Å; K138-N269 WeakPolarHBondContact CE-O 3.18Å; K138-V270 VanDerWaalsContact CE-C 3.45Å; K138-V270 VanDerWaalsContact CE-CA 3.42Å; K138-V270 WeakPolarHBondContact CE-O 3.25Å; K138-V270 HydrophobicContact CG-CB 4.28Å; K138-V270 HydrophobicContact CG-CG1 4.2Å; K138-V270 HydrophobicContact CG-CG2 4.05Å; K138-V270 PolarHBondContact NZ-O 3.39Å
139E67.3Low76.1Confident173 Ų17387.6 Ų87.681%0.80848%0.483SS*.  trans-74.9111.1156.4-64.7-176.2173.100106.2V137 P141V137-E139 PolarHBondContact O-N 3.37Å; E139-P141 WeakPolarHBondContact O-CD 3.42Å
140D58Low76Confident67 Ų6784.9 Ų84.936%0.35847%0.468SS..  trans-100.397176.7-167.9-17.3000108.4K138 D142 Q143K138-D140 PolarHBondContact O-N 2.94Å; D140-D142 PolarHBondContact O-N 3.16Å; D140-D142 PolarHBondContact OD1-N 2.83Å; D140-D142 VanDerWaalsContact OD1-N 3.11Å; D140-Q143 HydrophobicContact CB-CB 4.16Å; D140-Q143 HydrophobicContact CB-CG 4.28Å; D140-Q143 PolarHBondContact O-N 3.04Å; D140-Q143 WeakPolarHBondContact OD2-CG 3.45Å; D140-Q143 PolarHBondContact OD2-NE2 2.94Å
141P50.9Low75.9Confident115 Ų11583.8 Ų83.875%0.74746%0.46SS*.G310 helixtrans-63.6-22.6179.423.6-32000112.9E139E139-P141 WeakPolarHBondContact O-CD 3.42Å
142D49.9Very low76Confident156 Ų15676.4 Ų76.483%0.83443%0.428SS*.G310 helixtrans-83.1-14.1-178.9-69.1-28.8000113.1D140D140-D142 PolarHBondContact O-N 3.16Å; D140-D142 PolarHBondContact OD1-N 2.83Å; D140-D142 VanDerWaalsContact OD1-N 3.11Å
143Q50.6Low76.1Confident128 Ų12874.4 Ų74.460%0.59842%0.418SS*.G310 helixtrans-86.4-5178.4-81.2-173.745.900114.5D140 E145D140-Q143 HydrophobicContact CB-CB 4.16Å; D140-Q143 HydrophobicContact CB-CG 4.28Å; D140-Q143 PolarHBondContact O-N 3.04Å; D140-Q143 WeakPolarHBondContact OD2-CG 3.45Å; D140-Q143 PolarHBondContact OD2-NE2 2.94Å; Q143-E145 PolarHBondContact O-N 3Å
144G41.6Very low76.2Confident78 Ų7874.7 Ų74.780%0.80442%0.418SS*.  trans62.9-13.3170.800000116.7
145E51.9Low76.5Confident132 Ų13267.2 Ų67.262%0.61738%0.384SS*.SBendtrans-103.8116.1178.1-135.2-179.3-176.200108.8Q143 M147 K148Q143-E145 PolarHBondContact O-N 3Å; E145-M147 PolarHBondContact O-N 3.1Å; E145-K148 VanDerWaalsContact OE1-CE 3.29Å; E145-K148 WeakPolarHBondContact OE1-CE 3.45Å; E145-K148 IonicContact OE1-NZ 3.51Å; E145-K148 PolarHBondContact OE1-NZ 3.44Å; E145-K148 IonicContact OE2-NZ 2.84Å
146S59.8Low76.8Confident108 Ų10864.4 Ų64.476%0.75536%0.355SS*.PPolyproline II helixtrans-52139.3172.8-171.50000110.1K148S146-K148 PolarHBondContact O-N 3.39Å
147M71.6Confident77Confident61 Ų6163.1 Ų63.130%0.335%0.349SS..PPolyproline II helixtrans-49.3129.2177.1-172.9-147-5700109.8L133 V137 E145 P149 F152L133-M147 HydrophobicContact CB-SD 4.4Å; L133-M147 HydrophobicContact CD1-SD 3.72Å; V137-M147 HydrophobicContact CB-CE 3.75Å; V137-M147 HydrophobicContact CB-SD 4.12Å; V137-M147 HydrophobicContact CG1-CE 3.9Å; V137-M147 HydrophobicContact CG1-CG 4.01Å; V137-M147 HydrophobicContact CG1-SD 4.04Å; V137-M147 HydrophobicContact CG2-SD 4.37Å; E145-M147 PolarHBondContact O-N 3.1Å; M147-P149 WeakPolarHBondContact O-CD 3.44Å; M147-F152 HydrophobicContact CG-CE2 4.5Å; M147-F152 HydrophobicContact SD-CE2 4.5Å
148K86.8Confident77.4Confident93 Ų9362.9 Ų62.940%0.40435%0.348SS..  trans-93.390.3176.9-63.3-176.7-175177.20109.6E145 S146 L150 T151E145-K148 VanDerWaalsContact OE1-CE 3.29Å; E145-K148 WeakPolarHBondContact OE1-CE 3.45Å; E145-K148 IonicContact OE1-NZ 3.51Å; E145-K148 PolarHBondContact OE1-NZ 3.44Å; E145-K148 IonicContact OE2-NZ 2.84Å; S146-K148 PolarHBondContact O-N 3.39Å; K148-L150 PolarHBondContact O-N 2.94Å; K148-L150 VanDerWaalsContact O-N 3.16Å; K148-T151 WeakPolarHBondContact O-CG2 3.41Å; K148-T151 PolarHBondContact O-N 3.5Å; K148-T151 VanDerWaalsContact O-N 3.12Å
149P91.6Very high78.3Confident22 Ų2262.8 Ų62.814%0.14335%0.351CS..G310 helixtrans-59.7-34.5-168.524-36.5000113L102 F128 P130 L133 M147 T151 F152L102-P149 HydrophobicContact CD1-CG 4.19Å; L102-P149 HydrophobicContact CD2-CG 4.18Å; F128-P149 HydrophobicContact CD1-CB 4.15Å; F128-P149 HydrophobicContact CE1-CB 3.95Å; P130-P149 HydrophobicContact CB-CB 4.35Å; L133-P149 HydrophobicContact CD1-CB 3.7Å; M147-P149 WeakPolarHBondContact O-CD 3.44Å; P149-T151 PolarHBondContact O-N 2.82Å; P149-T151 VanDerWaalsContact O-N 3.12Å; P149-F152 WeakPolarHBondContact O-CB 3.08Å; P149-F152 PolarHBondContact O-N 3.44Å
150L93.7Very high79.7Confident13 Ų1355.1 Ų55.17%0.06832%0.316CS..G310 helixtrans-62-21.2-178.6-71.1174.8000113.9A71 A72 V100 L102 F128 K148 F152 A153A71-L150 HydrophobicContact CB-CB 4.32Å; A72-L150 WeakPolarHBondContact O-CD1 3.42Å; V100-L150 HydrophobicContact CG1-CD2 4.12Å; L102-L150 HydrophobicContact CD2-CD2 4.49Å; L102-L150 HydrophobicContact CG-CD1 4.2Å; L102-L150 HydrophobicContact CG-CD2 4.48Å; L102-L150 HydrophobicContact CG-CG 4.24Å; F128-L150 HydrophobicContact CB-CD2 3.61Å; F128-L150 HydrophobicContact CD1-CD2 4.39Å; F128-L150 HydrophobicContact CG-CD2 4.07Å; K148-L150 PolarHBondContact O-N 2.94Å; K148-L150 VanDerWaalsContact O-N 3.16Å; L150-F152 PolarHBondContact O-N 3.31Å; L150-A153 VanDerWaalsContact O-CB 3.25Å; L150-A153 WeakPolarHBondContact O-CB 3.1Å; L150-A153 PolarHBondContact O-N 3.33Å; L150-A153 VanDerWaalsContact O-N 3.09Å
151T91.4Very high81.6Confident44 Ų4452 Ų5227%0.2730%0.299SS..G310 helixtrans-64.7-19.9173.2-150.80000112K148 P149 R154 T284K148-T151 WeakPolarHBondContact O-CG2 3.41Å; K148-T151 PolarHBondContact O-N 3.5Å; K148-T151 VanDerWaalsContact O-N 3.12Å; P149-T151 PolarHBondContact O-N 2.82Å; P149-T151 VanDerWaalsContact O-N 3.12Å; T151-R154 PolarHBondContact O-NH1 3Å; T151-R154 PolarHBondContact OG1-NH1 3.05Å; T151-T284 HydrophobicContact CG2-CG2 3.68Å
152F95.3Very high83.7Confident3 Ų350.4 Ų50.41%0.01329%0.289CS..G310 helixtrans-88.7-6.8176.7-65.6-86.5000113.6F128 L133 V137 M147 P149 L150 R154 F155 Y156 M266 I283 T284F128-F152 HydrophobicContact CZ-CB 4.37Å; L133-F152 HydrophobicContact CD1-CB 4.18Å; L133-F152 HydrophobicContact CD1-CD2 3.61Å; L133-F152 HydrophobicContact CD1-CE2 4.29Å; L133-F152 HydrophobicContact CD1-CG 4.08Å; L133-F152 HydrophobicContact CD2-CB 3.59Å; L133-F152 HydrophobicContact CD2-CD1 4.22Å; L133-F152 HydrophobicContact CD2-CD2 4.08Å; L133-F152 HydrophobicContact CD2-CG 3.71Å; V137-F152 HydrophobicContact CB-CZ 4.38Å; V137-F152 HydrophobicContact CG1-CE2 4.22Å; V137-F152 HydrophobicContact CG1-CZ 3.95Å; V137-F152 HydrophobicContact CG2-CE1 3.87Å; V137-F152 HydrophobicContact CG2-CE2 3.81Å; V137-F152 HydrophobicContact CG2-CZ 3.44Å; V137-F152 VanDerWaalsContact CG2-CZ 3.44Å; M147-F152 HydrophobicContact CG-CE2 4.5Å; M147-F152 HydrophobicContact SD-CE2 4.5Å; P149-F152 WeakPolarHBondContact O-CB 3.08Å; P149-F152 PolarHBondContact O-N 3.44Å; L150-F152 PolarHBondContact O-N 3.31Å; F152-R154 PolarHBondContact O-N 3.12Å; F152-F155 HydrophobicContact CD1-CD2 4.06Å; F152-F155 AromaticContact CD1-CE2 3.8Å; F152-F155 HydrophobicContact CD1-CE2 3.8Å; F152-F155 HydrophobicContact CD1-CZ 4.4Å; F152-F155 HydrophobicContact CE1-CE2 4.24Å; F152-F155 WeakPolarHBondContact O-CB 3.22Å; F152-F155 PolarHBondContact O-N 3.43Å; F152-Y156 HydrophobicContact CB-CE2 4.42Å; F152-Y156 VanDerWaalsContact O-CD2 3.32Å; F152-Y156 WeakPolarHBondContact O-CD2 3.27Å; F152-M266 HydrophobicContact CD1-CE 3.51Å; F152-M266 HydrophobicContact CD1-SD 4.22Å; F152-M266 HydrophobicContact CE1-CE 3.55Å; F152-M266 HydrophobicContact CE1-SD 4.4Å; F152-M266 HydrophobicContact CG-CE 4.37Å; F152-M266 HydrophobicContact CZ-CE 4.43Å; F152-I283 HydrophobicContact CE2-CD1 4.02Å; F152-I283 HydrophobicContact CZ-CD1 3.57Å; F152-I283 HydrophobicContact CZ-CG1 3.92Å; F152-T284 HydrophobicContact CD1-CG2 3.64Å; F152-T284 HydrophobicContact CE1-CG2 3.53Å; F152-T284 HydrophobicContact CE2-CG2 4.43Å; F152-T284 HydrophobicContact CG-CG2 4.15Å; F152-T284 HydrophobicContact CZ-CG2 3.96Å
153A96.7Very high85.7Confident0 Ų047.4 Ų47.40%028%0.28CS..G310 helixtrans-51.9-36.8-179.400000112.6A71 V100 F128 L150 F155 Y156 L160A71-A153 HydrophobicContact CB-CB 4.21Å; V100-A153 HydrophobicContact CB-CB 4.45Å; V100-A153 HydrophobicContact CG1-CB 3.91Å; F128-A153 HydrophobicContact CD2-CB 4.18Å; F128-A153 HydrophobicContact CE2-CB 4.28Å; L150-A153 VanDerWaalsContact O-CB 3.25Å; L150-A153 WeakPolarHBondContact O-CB 3.1Å; L150-A153 PolarHBondContact O-N 3.33Å; L150-A153 VanDerWaalsContact O-N 3.09Å; A153-F155 PolarHBondContact O-N 3.42Å; A153-Y156 PolarHBondContact O-N 2.6Å; A153-L160 HydrophobicContact CB-CD1 4.03Å; A153-L160 WeakPolarHBondContact O-CD1 3.43Å
154R96.6Very high87.9Confident10 Ų1041.8 Ų41.84%0.03826%0.255CS..G310 helixtrans-57.5-19.1176.262.4-174.875.7106.1-11.2115.6T151 F152 Y169 D171 F246 T284T151-R154 PolarHBondContact O-NH1 3Å; T151-R154 PolarHBondContact OG1-NH1 3.05Å; F152-R154 PolarHBondContact O-N 3.12Å; R154-Y169 HydrophobicContact CB-CD1 3.98Å; R154-Y169 HydrophobicContact CB-CD2 3.83Å; R154-Y169 HydrophobicContact CB-CE1 3.82Å; R154-Y169 HydrophobicContact CB-CE2 3.61Å; R154-Y169 HydrophobicContact CB-CG 4Å; R154-Y169 PolarHBondContact NE-OH 3.46Å; R154-Y169 PolarHBondContact NH2-OH 3.25Å; R154-D171 IonicContact CZ-OD1 2.63Å; R154-D171 IonicContact NE-OD1 2.6Å; R154-D171 IonicContact NH2-OD1 2.93Å; R154-D171 PolarHBondContact NH2-OD1 3.3Å; R154-D171 IonicContact NH2-OD2 3.05Å; R154-D171 PolarHBondContact NH2-OD2 3.48Å; R154-F246 HydrophobicContact CB-CE1 3.93Å; R154-F246 HydrophobicContact CB-CZ 4.08Å; R154-T284 PolarHBondContact NH1-OG1 3.34Å; R154-T284 VanDerWaalsContact NH1-OG1 3.09Å
155F98.3Very high90.6Very high0 Ų045.3 Ų45.30%025%0.248CC..G310 helixtrans-83.6-18.9176.9-64.31.6000112.5F152 A153 T259 L262 M266 T284 P287 L288F152-F155 HydrophobicContact CD1-CD2 4.06Å; F152-F155 AromaticContact CD1-CE2 3.8Å; F152-F155 HydrophobicContact CD1-CE2 3.8Å; F152-F155 HydrophobicContact CD1-CZ 4.4Å; F152-F155 HydrophobicContact CE1-CE2 4.24Å; F152-F155 WeakPolarHBondContact O-CB 3.22Å; F152-F155 PolarHBondContact O-N 3.43Å; A153-F155 PolarHBondContact O-N 3.42Å; F155-T259 WeakPolarHBondContact O-CG2 3.16Å; F155-T259 PolarHBondContact O-OG1 3.32Å; F155-L262 HydrophobicContact CB-CD1 3.91Å; F155-L262 HydrophobicContact CD1-CD1 3.88Å; F155-L262 HydrophobicContact CD2-CB 4.02Å; F155-L262 HydrophobicContact CD2-CD1 4.42Å; F155-L262 HydrophobicContact CE2-CB 4.4Å; F155-L262 HydrophobicContact CG-CB 4.26Å; F155-L262 HydrophobicContact CG-CD1 3.83Å; F155-M266 HydrophobicContact CD2-CG 4.46Å; F155-M266 HydrophobicContact CD2-SD 3.46Å; F155-M266 WeakPolarHBondContact CD2-SD 3.41Å; F155-M266 HydrophobicContact CE2-CG 3.93Å; F155-M266 HydrophobicContact CE2-SD 3.49Å; F155-M266 WeakPolarHBondContact CE2-SD 3.39Å; F155-T284 HydrophobicContact CZ-CG2 4.06Å; F155-T284 VanDerWaalsContact CZ-O 3.26Å; F155-T284 WeakPolarHBondContact CZ-O 3.48Å; F155-P287 HydrophobicContact CE2-CB 4.22Å; F155-P287 HydrophobicContact CE2-CG 4.07Å; F155-P287 HydrophobicContact CZ-CB 4.1Å; F155-P287 HydrophobicContact CZ-CG 3.94Å; F155-L288 HydrophobicContact CD1-CD1 4.33Å; F155-L288 HydrophobicContact CD1-CD2 4.18Å; F155-L288 HydrophobicContact CD1-CG 4.24Å; F155-L288 HydrophobicContact CE1-CD1 3.63Å; F155-L288 HydrophobicContact CE1-CD2 4.03Å; F155-L288 HydrophobicContact CE1-CG 3.59Å; F155-L288 HydrophobicContact CZ-CG 4.31Å
156Y98.4Very high92.8Very high0 Ų040.9 Ų40.90%023%0.227CC..  trans-110.519.4-169.4-63.2-75000112.8F128 L132 L133 F152 A153 P158 I159 L160 T259 E263F128-Y156 AromaticContact CE2-CD2 3.79Å; F128-Y156 HydrophobicContact CE2-CD2 3.79Å; F128-Y156 HydrophobicContact CE2-CE2 4.42Å; F128-Y156 HydrophobicContact CE2-CG 4.45Å; F128-Y156 HydrophobicContact CZ-CD2 4.04Å; F128-Y156 HydrophobicContact CZ-CE2 4.21Å; L132-Y156 HydrophobicContact CB-CE1 4.26Å; L132-Y156 HydrophobicContact CB-CE2 4.34Å; L132-Y156 HydrophobicContact CD1-CD1 4.11Å; L132-Y156 HydrophobicContact CD1-CD2 4.44Å; L132-Y156 HydrophobicContact CD1-CE1 4.26Å; L132-Y156 HydrophobicContact CD1-CG 4.19Å; L132-Y156 HydrophobicContact CD2-CE1 4.42Å; L132-Y156 PolarHBondContact O-OH 3.18Å; L133-Y156 HydrophobicContact CD2-CE2 4.01Å; F152-Y156 HydrophobicContact CB-CE2 4.42Å; F152-Y156 VanDerWaalsContact O-CD2 3.32Å; F152-Y156 WeakPolarHBondContact O-CD2 3.27Å; A153-Y156 PolarHBondContact O-N 2.6Å; Y156-P158 VanDerWaalsContact C-CD 3.45Å; Y156-P158 VanDerWaalsContact C-N 3.32Å; Y156-I159 HydrophobicContact CD1-CD1 3.82Å; Y156-I159 WeakPolarHBondContact O-CA 3.27Å; Y156-I159 WeakPolarHBondContact O-CB 3.49Å; Y156-I159 PolarHBondContact O-N 3.04Å; Y156-L160 WeakPolarHBondContact O-CG 3.4Å; Y156-L160 PolarHBondContact O-N 2.94Å; Y156-T259 HydrophobicContact CD1-CG2 3.69Å; Y156-T259 HydrophobicContact CE1-CG2 3.79Å; Y156-E263 HydrophobicContact CE1-CG 4.46Å; Y156-E263 WeakPolarHBondContact CE1-OE1 3.46Å; Y156-E263 PolarHBondContact OH-OE1 3.4Å
157L98.4Very high94.6Very high0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-49.3-44.7-178-58.9-179.7000113.6V69 I159 L160 V161 Y169 F246 A248 L250V69-L157 HydrophobicContact CB-CD2 4.09Å; V69-L157 HydrophobicContact CG1-CD2 3.92Å; V69-L157 HydrophobicContact CG2-CD2 4.14Å; L157-I159 PolarHBondContact O-N 3.27Å; L157-L160 PolarHBondContact O-N 3.06Å; L157-V161 WeakPolarHBondContact O-CG2 3.46Å; L157-V161 PolarHBondContact O-N 3.34Å; L157-Y169 HydrophobicContact CD2-CD2 3.86Å; L157-Y169 HydrophobicContact CD2-CG 4.44Å; L157-F246 HydrophobicContact CD1-CE2 3.61Å; L157-F246 HydrophobicContact CD1-CZ 3.65Å; L157-A248 HydrophobicContact CD1-CB 3.73Å; L157-L250 HydrophobicContact CB-CD2 3.59Å; L157-L250 HydrophobicContact CD1-CD2 4.29Å
158P97.6Very high95.9Very high16 Ų1632.9 Ų32.910%0.10418%0.177CC..Hα-helixtrans-63.9-23.5178.2-20.832.3000114.8Y156 P162 L250 W253 K254Y156-P158 VanDerWaalsContact C-CD 3.45Å; Y156-P158 VanDerWaalsContact C-N 3.32Å; P158-P162 VanDerWaalsContact O-CA 3.24Å; P158-P162 WeakPolarHBondContact O-CA 3.35Å; P158-L250 HydrophobicContact CG-CD2 4.29Å; P158-W253 HydrophobicContact CG-CB 4.41Å; P158-W253 HydrophobicContact CG-CG 3.92Å; P158-K254 HydrophobicContact CB-CD 4.06Å; P158-K254 HydrophobicContact CB-CG 3.67Å; P158-K254 HydrophobicContact CG-CG 4.11Å
159I97Very high96.5Very high99 Ų9928.5 Ų28.551%0.50816%0.158SC..Hα-helixtrans-83.2-39.7175.8-56.2-176.1000110Y156 L157Y156-I159 HydrophobicContact CD1-CD1 3.82Å; Y156-I159 WeakPolarHBondContact O-CA 3.27Å; Y156-I159 WeakPolarHBondContact O-CB 3.49Å; Y156-I159 PolarHBondContact O-N 3.04Å; L157-I159 PolarHBondContact O-N 3.27Å
160L97.8Very high96.7Very high13 Ų1327.4 Ų27.47%0.06815%0.151CC..Hα-helixtrans-75.2-31.3-176.7-61.5168.6000112.5V100 V126 F128 A153 Y156 L157V100-L160 HydrophobicContact CG1-CD1 4.23Å; V100-L160 HydrophobicContact CG1-CD2 4.03Å; V100-L160 HydrophobicContact CG2-CD1 4.02Å; V100-L160 HydrophobicContact CG2-CD2 4.37Å; V126-L160 HydrophobicContact CG1-CB 4.37Å; V126-L160 HydrophobicContact CG1-CD2 3.63Å; F128-L160 HydrophobicContact CD2-CD2 4.3Å; A153-L160 HydrophobicContact CB-CD1 4.03Å; A153-L160 WeakPolarHBondContact O-CD1 3.43Å; Y156-L160 WeakPolarHBondContact O-CG 3.4Å; Y156-L160 PolarHBondContact O-N 2.94Å; L157-L160 PolarHBondContact O-N 3.06Å
161V96.9Very high96.9Very high0 Ų028 Ų280%015%0.154CC..SBendtrans-13361.1-178.9-62.80000112.4V69 Y98 L157 S163 A164 A167 L250V69-V161 HydrophobicContact CG2-CG1 3.72Å; V69-V161 HydrophobicContact CG2-CG2 4.17Å; Y98-V161 HydrophobicContact CD1-CB 4.4Å; Y98-V161 HydrophobicContact CD1-CG1 3.34Å; Y98-V161 HydrophobicContact CD2-CG1 3.53Å; Y98-V161 HydrophobicContact CE1-CB 4.32Å; Y98-V161 HydrophobicContact CE1-CG1 3.7Å; Y98-V161 HydrophobicContact CE2-CG1 3.92Å; Y98-V161 HydrophobicContact CG-CB 4.48Å; Y98-V161 HydrophobicContact CG-CG1 3.22Å; L157-V161 WeakPolarHBondContact O-CG2 3.46Å; L157-V161 PolarHBondContact O-N 3.34Å; V161-S163 VanDerWaalsContact C-N 3.29Å; V161-S163 PolarHBondContact O-N 2.94Å; V161-S163 VanDerWaalsContact O-N 3.14Å; V161-A164 HydrophobicContact CB-CB 4.22Å; V161-A164 HydrophobicContact CG2-CB 4.23Å; V161-A164 PolarHBondContact O-N 3.16Å; V161-A167 HydrophobicContact CG2-CB 4.36Å; V161-L250 HydrophobicContact CG2-CD1 3.46Å; V161-L250 VanDerWaalsContact CG2-CD1 3.46Å
162P95Very high97.1Very high83 Ų8326.5 Ų26.554%0.53914%0.144SC..THydrogen-bonded Turntrans-63.6-28.9-16424.5-34.7000115.1P158 K254P158-P162 VanDerWaalsContact O-CA 3.24Å; P158-P162 WeakPolarHBondContact O-CA 3.35Å; P162-K254 PolarHBondContact O-NZ 3.38Å
163S92.7Very high97.2Very high93 Ų9326.6 Ų26.665%0.6515%0.145SC*.THydrogen-bonded Turntrans-80.1-17.1179.658.70000113.8V161V161-S163 VanDerWaalsContact C-N 3.29Å; V161-S163 PolarHBondContact O-N 2.94Å; V161-S163 VanDerWaalsContact O-N 3.14Å
164A96.8Very high97.3Very high9 Ų926.6 Ų26.67%0.07415%0.145CC..  trans-78.2137.7-177.500000111.2P67 V161 L250P67-A164 HydrophobicContact CB-CB 4.22Å; P67-A164 HydrophobicContact CG-CB 3.83Å; V161-A164 HydrophobicContact CB-CB 4.22Å; V161-A164 HydrophobicContact CG2-CB 4.23Å; V161-A164 PolarHBondContact O-N 3.16Å; A164-L250 HydrophobicContact CB-CD1 3.68Å; A164-L250 WeakPolarHBondContact O-CB 3.29Å; A164-L250 WeakPolarHBondContact O-CD1 3.3Å
165K97.4Very high97.4Very high152 Ų15226.1 Ų26.166%0.66114%0.143SC*.SBendtrans-87.4-28.9171.3-66.6-179.2-177.9174.70112.1N249 L250 T251K165-N249 CarbonylContact O-C 3.59Å; K165-N249 PolarHBondContact O-OD1 3.23Å; K165-L250 PolarHBondContact O-N 3.19Å; K165-T251 PolarHBondContact O-N 3.12Å
166K98.1Very high97.4Very high40 Ų4026.1 Ų26.117%0.17414%0.143CC..EExtended strand (participates in β ladder)trans-146.1142.9179.5-171.3-178.9-168.51800108.7P67 Y184 T186 V247 A248P67-K166 WeakPolarHBondContact CD-O 3.29Å; P67-K166 WeakPolarHBondContact CG-O 3.3Å; K166-Y184 HydrophobicContact CB-CE2 4.02Å; K166-Y184 HydrophobicContact CD-CD2 4.48Å; K166-Y184 HydrophobicContact CD-CE1 4.33Å; K166-Y184 HydrophobicContact CD-CE2 4.07Å; K166-Y184 WeakPolarHBondContact CE-O 3.26Å; K166-Y184 HydrophobicContact CG-CE2 3.88Å; K166-Y184 PolarHBondContact NZ-O 2.81Å; K166-Y184 PolarHBondContact O-OH 2.89Å; K166-T186 PolarHBondContact NZ-O 3.35Å; K166-T186 VanDerWaalsContact NZ-O 3.07Å; K166-V247 HydrophobicContact CD-CG1 4.31Å; K166-V247 HydrophobicContact CG-CG1 4.2Å; K166-A248 CarbonylContact C-O 3.59Å; K166-A248 WeakPolarHBondContact CA-O 3.25Å; K166-A248 WeakPolarHBondContact CG-O 3.45Å
167A98.6Very high97.4Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-145.8157.9179.600000111P67 V69 V161 A248 L250P67-A167 HydrophobicContact CB-CB 4.07Å; P67-A167 WeakPolarHBondContact O-CA 3.49Å; V69-A167 HydrophobicContact CG2-CB 4.36Å; V161-A167 HydrophobicContact CG2-CB 4.36Å; A167-A248 PolarHBondContact N-O 2.6Å; A167-A248 PolarHBondContact O-N 3.03Å; A167-L250 HydrophobicContact CB-CD1 3.82Å; A167-L250 HydrophobicContact CB-CG 4.39Å
168I98.8Very high97.4Very high0 Ų029.1 Ų29.10%016%0.162CC..EExtended strand (participates in β ladder)trans-101.6131.1166.7-55.4172.4000107.2I66 P67 V68 V69 M170 I180 L183 Y184 F246 V247I66-I168 HydrophobicContact CG2-CD1 4.18Å; P67-I168 PolarHBondContact O-N 3.23Å; V68-I168 CarbonylContact C-O 3.44Å; V68-I168 WeakPolarHBondContact CA-O 3.35Å; V68-I168 HydrophobicContact CG2-CB 4.47Å; V68-I168 HydrophobicContact CG2-CD1 4.49Å; V69-I168 PolarHBondContact N-O 3.01Å; I168-M170 HydrophobicContact CG2-CG 3.6Å; I168-M170 HydrophobicContact CG2-SD 3.89Å; I168-I180 HydrophobicContact CD1-CD1 3.82Å; I168-I180 HydrophobicContact CD1-CG1 3.6Å; I168-L183 HydrophobicContact CD1-CB 4.28Å; I168-L183 HydrophobicContact CD1-CD2 4.22Å; I168-L183 HydrophobicContact CD1-CG 4.11Å; I168-L183 HydrophobicContact CG2-CD2 3.88Å; I168-Y184 HydrophobicContact CD1-CD2 4.23Å; I168-Y184 HydrophobicContact CG1-CD2 4.03Å; I168-F246 WeakPolarHBondContact CA-O 3.45Å; I168-V247 HydrophobicContact CG1-CG2 4.42Å
169Y98.8Very high97.4Very high1 Ų131.5 Ų31.50%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-102.1138165.8174.3-85.9000109.5V69 R154 L157 D171 V245 F246V69-Y169 HydrophobicContact CB-CD2 4.29Å; V69-Y169 HydrophobicContact CG1-CD2 4.25Å; V69-Y169 WeakPolarHBondContact O-CA 3.47Å; R154-Y169 HydrophobicContact CB-CD1 3.98Å; R154-Y169 HydrophobicContact CB-CD2 3.83Å; R154-Y169 HydrophobicContact CB-CE1 3.82Å; R154-Y169 HydrophobicContact CB-CE2 3.61Å; R154-Y169 HydrophobicContact CB-CG 4Å; R154-Y169 PolarHBondContact NE-OH 3.46Å; R154-Y169 PolarHBondContact NH2-OH 3.25Å; L157-Y169 HydrophobicContact CD2-CD2 3.86Å; L157-Y169 HydrophobicContact CD2-CG 4.44Å; Y169-D171 VanDerWaalsContact CE1-OD1 3.24Å; Y169-D171 WeakPolarHBondContact CE1-OD1 3.26Å; Y169-D171 PolarHBondContact OH-OD1 3.03Å; Y169-V245 WeakPolarHBondContact O-CA 3.47Å; Y169-F246 VanDerWaalsContact CB-CE1 3.48Å; Y169-F246 AromaticContact CD1-CD1 3.73Å; Y169-F246 HydrophobicContact CD1-CD1 3.73Å; Y169-F246 AromaticContact CD1-CE1 3.31Å; Y169-F246 HydrophobicContact CD1-CE1 3.31Å; Y169-F246 HydrophobicContact CD1-CZ 4.21Å; Y169-F246 HydrophobicContact CE1-CE1 4.26Å; Y169-F246 HydrophobicContact CG-CD1 4.17Å; Y169-F246 AromaticContact CG-CE1 3.53Å; Y169-F246 HydrophobicContact CG-CE1 3.53Å; Y169-F246 AromaticContact CG-CZ 3.99Å; Y169-F246 HydrophobicContact CG-CZ 3.99Å; Y169-F246 PolarHBondContact N-O 3.37Å; Y169-F246 PolarHBondContact O-N 3.3Å
170M97.4Very high97.5Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-141.3139178.8-47.7-176.381.300110.7V68 V69 I70 I87 I168 V174 V176 I180 L183 G244 V245 L326V68-M170 HydrophobicContact CG1-CG 4.3Å; V68-M170 HydrophobicContact CG1-SD 3.94Å; V69-M170 PolarHBondContact O-N 3.43Å; I70-M170 HydrophobicContact CG1-CB 4.33Å; I87-M170 HydrophobicContact CD1-SD 3.81Å; I168-M170 HydrophobicContact CG2-CG 3.6Å; I168-M170 HydrophobicContact CG2-SD 3.89Å; M170-V174 HydrophobicContact CB-CG2 4.35Å; M170-V174 HydrophobicContact CE-CG2 4.2Å; M170-V176 HydrophobicContact CE-CG2 3.5Å; M170-V176 VanDerWaalsContact CE-CG2 3.5Å; M170-V176 HydrophobicContact SD-CG2 4.35Å; M170-I180 HydrophobicContact CE-CD1 4.23Å; M170-I180 HydrophobicContact SD-CD1 4.02Å; M170-L183 HydrophobicContact CE-CD2 4.44Å; M170-G244 CarbonylContact C-O 3.55Å; M170-G244 VanDerWaalsContact CA-O 3.27Å; M170-G244 WeakPolarHBondContact CA-O 3.21Å; M170-V245 HydrophobicContact CE-CG1 4.2Å; M170-L326 HydrophobicContact CE-CD1 3.09Å; M170-L326 HydrophobicContact CE-CG 4.42Å
171D96.8Very high97.5Very high26 Ų2629.1 Ų29.114%0.13916%0.161CC..  trans-71.6161.3168.3-75.1-13.7000110.8R154 Y169 D173 V174 G244R154-D171 IonicContact CZ-OD1 2.63Å; R154-D171 IonicContact NE-OD1 2.6Å; R154-D171 IonicContact NH2-OD1 2.93Å; R154-D171 PolarHBondContact NH2-OD1 3.3Å; R154-D171 IonicContact NH2-OD2 3.05Å; R154-D171 PolarHBondContact NH2-OD2 3.48Å; Y169-D171 VanDerWaalsContact CE1-OD1 3.24Å; Y169-D171 WeakPolarHBondContact CE1-OD1 3.26Å; Y169-D171 PolarHBondContact OH-OD1 3.03Å; D171-D173 VanDerWaalsContact C-N 3.27Å; D171-D173 VanDerWaalsContact CB-OD1 3.25Å; D171-D173 WeakPolarHBondContact CB-OD1 3.21Å; D171-D173 PolarHBondContact O-N 3.07Å; D171-V174 VanDerWaalsContact O-CG2 3.28Å; D171-V174 WeakPolarHBondContact O-CG2 3.02Å; D171-G244 VanDerWaalsContact CG-CA 3.45Å; D171-G244 PolarHBondContact N-O 2.88Å; D171-G244 WeakPolarHBondContact OD2-CA 3.45Å
172D96.8Very high97.6Very high11 Ų1131.9 Ų31.96%0.05918%0.184CC..THydrogen-bonded Turntrans-77.9-4.6-176.165.644.2000114.7I70 R76 G79 A80I70-D172 HydrophobicContact CG2-CB 4.39Å; R76-D172 WeakPolarHBondContact CB-OD2 3.47Å; R76-D172 WeakPolarHBondContact CD-OD2 3.24Å; R76-D172 IonicContact CZ-OD1 3.67Å; R76-D172 IonicContact CZ-OD2 3.32Å; R76-D172 IonicContact NE-OD1 3.06Å; R76-D172 PolarHBondContact NE-OD1 2.78Å; R76-D172 IonicContact NE-OD2 3.94Å; R76-D172 PolarHBondContact NE-OD2 3.3Å; R76-D172 IonicContact NH2-OD1 3.68Å; R76-D172 PolarHBondContact NH2-OD1 2.86Å; R76-D172 IonicContact NH2-OD2 3.93Å; G79-D172 CarbonylContact C-O 3.29Å; G79-D172 WeakPolarHBondContact CA-O 3.19Å; G79-D172 VanDerWaalsContact O-O 3.07Å; A80-D172 HydrophobicContact CB-CB 3.95Å
173D97.1Very high97.7Very high5 Ų527.9 Ų27.93%0.02716%0.159CC..THydrogen-bonded Turntrans-105.135.4-176.350.95.5000111.9R76 D171 H328 W329 K334 W336R76-D173 VanDerWaalsContact NH2-CG 3.26Å; R76-D173 IonicContact NH2-OD1 3.7Å; R76-D173 IonicContact NH2-OD2 2.73Å; R76-D173 PolarHBondContact NH2-OD2 2.87Å; D171-D173 VanDerWaalsContact C-N 3.27Å; D171-D173 VanDerWaalsContact CB-OD1 3.25Å; D171-D173 WeakPolarHBondContact CB-OD1 3.21Å; D171-D173 PolarHBondContact O-N 3.07Å; D173-H328 IonicContact OD1-CD2 3.86Å; D173-H328 PolarHBondContact OD1-CD2 3.4Å; D173-H328 VanDerWaalsContact OD1-CD2 3.3Å; D173-H328 IonicContact OD1-NE2 2.71Å; D173-H328 PolarHBondContact OD1-NE2 3.42Å; D173-H328 VanDerWaalsContact OD1-NE2 3.12Å; D173-W329 HydrophobicContact CB-CB 4.26Å; D173-W329 PolarHBondContact O-N 2.94Å; D173-K334 HydrophobicContact CB-CD 4.33Å; D173-K334 IonicContact OD2-NZ 3.97Å; D173-K334 PolarHBondContact OD2-NZ 3.4Å; D173-W336 HydrophobicContact CB-CH2 3.71Å; D173-W336 HydrophobicContact CB-CZ3 4.27Å
174V98.4Very high98Very high0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans-117.5153.3-179.8-54.70000112.3A83 M170 D171 V245 L326 L327 H328A83-V174 HydrophobicContact CB-CG2 3.88Å; A83-V174 WeakPolarHBondContact CB-O 3.24Å; M170-V174 HydrophobicContact CB-CG2 4.35Å; M170-V174 HydrophobicContact CE-CG2 4.2Å; D171-V174 VanDerWaalsContact O-CG2 3.28Å; D171-V174 WeakPolarHBondContact O-CG2 3.02Å; V174-V245 HydrophobicContact CG1-CG2 4.03Å; V174-L326 HydrophobicContact CB-CD1 4.49Å; V174-L326 HydrophobicContact CB-CD2 4.12Å; V174-L326 HydrophobicContact CB-CG 4.34Å; V174-L326 HydrophobicContact CG1-CD2 4.08Å; V174-L327 CarbonylContact C-O 3.53Å; V174-L327 VanDerWaalsContact CA-O 3.23Å; V174-L327 WeakPolarHBondContact CA-O 3.47Å; V174-H328 HydrophobicContact CG1-CB 4.29Å
175I98.7Very high98.1Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-126125.9164.8-67.5-61.6000108.5A82 Q177 L326 L327 W329 W346 W349A82-I175 HydrophobicContact CB-CD1 4.15Å; I175-Q177 HydrophobicContact CG2-CG 4.14Å; I175-L326 WeakPolarHBondContact O-CA 3.38Å; I175-L327 HydrophobicContact CB-CB 4.49Å; I175-L327 PolarHBondContact N-O 3.02Å; I175-L327 PolarHBondContact O-N 2.76Å; I175-W329 HydrophobicContact CB-CZ3 3.99Å; I175-W329 HydrophobicContact CG1-CH2 4.14Å; I175-W329 HydrophobicContact CG1-CZ3 3.7Å; I175-W346 HydrophobicContact CD1-CG 4.29Å; I175-W346 HydrophobicContact CG1-CB 4.41Å; I175-W346 HydrophobicContact CG1-CG 4.22Å; I175-W349 HydrophobicContact CD1-CB 3.82Å; I175-W349 HydrophobicContact CD1-CG 3.88Å; I175-W349 VanDerWaalsContact CG2-CD1 3.45Å; I175-W349 HydrophobicContact CG2-CG 4.34Å; I175-W349 VanDerWaalsContact CG2-NE1 3.33Å
176V98.7Very high98.1Very high0 Ų021 Ų210%012%0.12CC..EExtended strand (participates in β ladder)trans-96.5119.4178.6-177.40000108.9S86 I87 N90 M170 G178 I180 W303 L326S86-V176 WeakPolarHBondContact CB-O 3.47Å; S86-V176 PolarHBondContact OG-N 3.26Å; I87-V176 HydrophobicContact CD1-CG2 3.97Å; I87-V176 HydrophobicContact CG1-CB 3.66Å; I87-V176 HydrophobicContact CG1-CG1 4.16Å; I87-V176 HydrophobicContact CG1-CG2 3.45Å; I87-V176 VanDerWaalsContact CG1-CG2 3.45Å; N90-V176 PolarHBondContact ND2-O 2.9Å; M170-V176 HydrophobicContact CE-CG2 3.5Å; M170-V176 VanDerWaalsContact CE-CG2 3.5Å; M170-V176 HydrophobicContact SD-CG2 4.35Å; V176-G178 VanDerWaalsContact CG1-O 3.29Å; V176-G178 WeakPolarHBondContact CG1-O 3.35Å; V176-I180 HydrophobicContact CG1-CD1 4.24Å; V176-W303 HydrophobicContact CG1-CZ3 4Å; V176-L326 HydrophobicContact CG2-CD1 4.06Å; V176-L326 HydrophobicContact CG2-CG 4.45Å
177Q98.5Very high98.1Very high48 Ų4824.2 Ų24.222%0.22415%0.145CC..  trans-107.9-23178.9-55.3-174.4136.200112.2I175 V321 A324 K325I175-Q177 HydrophobicContact CG2-CG 4.14Å; Q177-V321 PolarHBondContact NE2-O 3.32Å; Q177-A324 PolarHBondContact NE2-O 2.88Å; Q177-K325 PolarHBondContact N-O 2.94Å
178G98Very high98.1Very high16 Ų1626.1 Ų26.117%0.16516%0.155CC..SBendtrans-91.1166175.600000113.2V176 I180 K325V176-G178 VanDerWaalsContact CG1-O 3.29Å; V176-G178 WeakPolarHBondContact CG1-O 3.35Å; G178-I180 PolarHBondContact O-N 2.96Å; G178-K325 PolarHBondContact N-O 3.34Å
179D98.2Very high98Very high65 Ų6532.4 Ų32.435%0.34818%0.183SC..  trans-68.8113.3173.3-171.5-16.8000110.6N90 T91 L181 A182 W303N90-D179 WeakPolarHBondContact O-CA 3.39Å; T91-D179 WeakPolarHBondContact CB-OD1 3.44Å; T91-D179 PolarHBondContact OG1-OD1 3.37Å; D179-L181 PolarHBondContact O-N 3.37Å; D179-L181 WeakPolarHBondContact OD1-CB 3.41Å; D179-L181 PolarHBondContact OD1-N 3.2Å; D179-A182 WeakPolarHBondContact O-CB 3.35Å; D179-A182 PolarHBondContact O-N 3.04Å; D179-W303 WeakPolarHBondContact O-CH2 3.33Å; D179-W303 WeakPolarHBondContact O-CZ2 3.3Å
180I98.3Very high98Very high1 Ų138.6 Ų38.61%0.00522%0.223CC..Hα-helixtrans-56.8-23-176.3-161.767.3000113.1I66 V68 I87 T91 V95 I168 M170 V176 G178 A182 L183 Y184 W303I66-I180 HydrophobicContact CD1-CG2 4.33Å; V68-I180 HydrophobicContact CG2-CG1 4.4Å; I87-I180 HydrophobicContact CG2-CB 4.18Å; I87-I180 HydrophobicContact CG2-CG1 4.35Å; I87-I180 HydrophobicContact CG2-CG2 4Å; T91-I180 HydrophobicContact CG2-CG2 3.98Å; V95-I180 HydrophobicContact CG2-CG2 3.83Å; I168-I180 HydrophobicContact CD1-CD1 3.82Å; I168-I180 HydrophobicContact CD1-CG1 3.6Å; M170-I180 HydrophobicContact CE-CD1 4.23Å; M170-I180 HydrophobicContact SD-CD1 4.02Å; V176-I180 HydrophobicContact CG1-CD1 4.24Å; G178-I180 PolarHBondContact O-N 2.96Å; I180-A182 VanDerWaalsContact C-N 3.25Å; I180-A182 PolarHBondContact O-N 3.36Å; I180-L183 HydrophobicContact CD1-CB 4.24Å; I180-L183 HydrophobicContact CD1-CD2 3.84Å; I180-L183 WeakPolarHBondContact O-CB 3.3Å; I180-L183 PolarHBondContact O-N 3.42Å; I180-L183 VanDerWaalsContact O-N 3.12Å; I180-Y184 PolarHBondContact O-N 3.43Å; I180-W303 HydrophobicContact CD1-CZ3 4.34Å
181L98.1Very high97.9Very high61 Ų6140 Ų4032%0.31924%0.237SC..Hα-helixtrans-58.5-37.9173.5177.364.7000112I66 S93 D179 L183 Y184 N185I66-L181 HydrophobicContact CD1-CB 4.01Å; I66-L181 HydrophobicContact CD1-CD1 3.78Å; S93-L181 WeakPolarHBondContact OG-CB 3.27Å; S93-L181 WeakPolarHBondContact OG-CD2 2.77Å; D179-L181 PolarHBondContact O-N 3.37Å; D179-L181 WeakPolarHBondContact OD1-CB 3.41Å; D179-L181 PolarHBondContact OD1-N 3.2Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.15Å; L181-Y184 WeakPolarHBondContact O-CB 3.17Å; L181-Y184 PolarHBondContact O-N 3.18Å; L181-N185 WeakPolarHBondContact CD1-ND2 3.31Å; L181-N185 WeakPolarHBondContact O-CB 3.34Å; L181-N185 PolarHBondContact O-N 2.82Å
182A98.3Very high98Very high58 Ų5839.7 Ų39.748%0.47924%0.235SC..Hα-helixtrans-67.9-34.1177.700000111.9D179 I180 W303D179-A182 WeakPolarHBondContact O-CB 3.35Å; D179-A182 PolarHBondContact O-N 3.04Å; I180-A182 VanDerWaalsContact C-N 3.25Å; I180-A182 PolarHBondContact O-N 3.36Å; A182-W303 HydrophobicContact CB-CZ2 3.98Å
183L98.4Very high98.1Very high0 Ų039.2 Ų39.20%023%0.233CC..Hα-helixtrans-66.9-46.6169.9-178.257000110.6I168 M170 I180 L181 N185 T186 V245 V247 I299 W303I168-L183 HydrophobicContact CD1-CB 4.28Å; I168-L183 HydrophobicContact CD1-CD2 4.22Å; I168-L183 HydrophobicContact CD1-CG 4.11Å; I168-L183 HydrophobicContact CG2-CD2 3.88Å; M170-L183 HydrophobicContact CE-CD2 4.44Å; I180-L183 HydrophobicContact CD1-CB 4.24Å; I180-L183 HydrophobicContact CD1-CD2 3.84Å; I180-L183 WeakPolarHBondContact O-CB 3.3Å; I180-L183 PolarHBondContact O-N 3.42Å; I180-L183 VanDerWaalsContact O-N 3.12Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.15Å; L183-N185 PolarHBondContact O-N 3.37Å; L183-T186 WeakPolarHBondContact O-CB 3.47Å; L183-T186 PolarHBondContact O-N 2.78Å; L183-T186 PolarHBondContact O-OG1 3.23Å; L183-V245 HydrophobicContact CD2-CG1 4.08Å; L183-V247 HydrophobicContact CD1-CG2 3.89Å; L183-V247 HydrophobicContact CG-CG2 4.02Å; L183-V247 WeakPolarHBondContact O-CG2 3.26Å; L183-I299 HydrophobicContact CD1-CD1 4.05Å; L183-I299 HydrophobicContact CD1-CG1 4.36Å; L183-I299 HydrophobicContact CD1-CG2 3.64Å; L183-W303 HydrophobicContact CB-CD2 3.82Å; L183-W303 HydrophobicContact CB-CE3 3.83Å; L183-W303 HydrophobicContact CB-CG 4.5Å; L183-W303 HydrophobicContact CB-CH2 3.92Å; L183-W303 HydrophobicContact CB-CZ2 3.88Å; L183-W303 HydrophobicContact CB-CZ3 3.87Å; L183-W303 HydrophobicContact CD1-CB 4.04Å; L183-W303 HydrophobicContact CD1-CD2 4.03Å; L183-W303 HydrophobicContact CD1-CE3 4.39Å; L183-W303 HydrophobicContact CD1-CG 3.87Å; L183-W303 HydrophobicContact CD2-CD2 4.3Å; L183-W303 HydrophobicContact CD2-CE3 3.83Å; L183-W303 HydrophobicContact CD2-CZ3 4.23Å; L183-W303 HydrophobicContact CG-CD2 4.26Å; L183-W303 HydrophobicContact CG-CE3 4.23Å
184Y98.5Very high98.2Very high8 Ų839 Ų393%0.03123%0.231CC..Hα-helixtrans-57-39.9178.8-172.7-107.8000111.9I66 K166 I168 I180 L181 T186I66-Y184 HydrophobicContact CG1-CD1 4.22Å; I66-Y184 HydrophobicContact CG1-CG 4.21Å; I66-Y184 HydrophobicContact CG2-CD2 3.68Å; I66-Y184 HydrophobicContact CG2-CE2 4.24Å; I66-Y184 HydrophobicContact CG2-CG 3.88Å; K166-Y184 HydrophobicContact CB-CE2 4.02Å; K166-Y184 HydrophobicContact CD-CD2 4.48Å; K166-Y184 HydrophobicContact CD-CE1 4.33Å; K166-Y184 HydrophobicContact CD-CE2 4.07Å; K166-Y184 WeakPolarHBondContact CE-O 3.26Å; K166-Y184 HydrophobicContact CG-CE2 3.88Å; K166-Y184 PolarHBondContact NZ-O 2.81Å; K166-Y184 PolarHBondContact O-OH 2.89Å; I168-Y184 HydrophobicContact CD1-CD2 4.23Å; I168-Y184 HydrophobicContact CG1-CD2 4.03Å; I180-Y184 PolarHBondContact O-N 3.43Å; L181-Y184 WeakPolarHBondContact O-CB 3.17Å; L181-Y184 PolarHBondContact O-N 3.18Å; Y184-T186 PolarHBondContact O-N 2.74Å
185N97.8Very high98.2Very high91 Ų9139 Ų3949%0.48723%0.231SC..THydrogen-bonded Turntrans-78.97-179.5-72.5-17.3000114.5L181 L183 P187L181-N185 WeakPolarHBondContact CD1-ND2 3.31Å; L181-N185 WeakPolarHBondContact O-CB 3.34Å; L181-N185 PolarHBondContact O-N 2.82Å; L183-N185 PolarHBondContact O-N 3.37Å; N185-P187 WeakPolarHBondContact O-CD 3.4Å; N185-P187 VanDerWaalsContact O-N 3.15Å
186T98.1Very high98.1Very high10 Ų1039 Ų396%0.06123%0.231CC..  trans-47.7124172.1-60.10000110.5K166 L183 Y184 L188 A195 I299K166-T186 PolarHBondContact NZ-O 3.35Å; K166-T186 VanDerWaalsContact NZ-O 3.07Å; L183-T186 WeakPolarHBondContact O-CB 3.47Å; L183-T186 PolarHBondContact O-N 2.78Å; L183-T186 PolarHBondContact O-OG1 3.23Å; Y184-T186 PolarHBondContact O-N 2.74Å; T186-L188 PolarHBondContact O-N 3.32Å; T186-A195 HydrophobicContact CG2-CB 3.87Å; T186-I299 HydrophobicContact CG2-CG1 4.11Å
187P97.6Very high97.9Very high108 Ų10839.1 Ų39.170%0.70123%0.232SC*.  trans-64.4127.7177.6-23.534.3000111.8N185 S297N185-P187 WeakPolarHBondContact O-CD 3.4Å; N185-P187 VanDerWaalsContact O-N 3.15Å; P187-S297 WeakPolarHBondContact O-CB 3.44Å; P187-S297 PolarHBondContact O-OG 3.33Å
188L98.2Very high97.6Very high40 Ų4038.9 Ų38.921%0.20923%0.231CC..  trans-104.4124.2174.2-61.1178.7000108.5T186 A195 N249 S297T186-L188 PolarHBondContact O-N 3.32Å; L188-A195 HydrophobicContact CD2-CB 3.47Å; L188-A195 VanDerWaalsContact CD2-CB 3.47Å; L188-N249 HydrophobicContact CD1-CB 3.51Å; L188-S297 WeakPolarHBondContact CA-OG 3.49Å
189K98.1Very high97Very high132 Ų13238.2 Ų38.257%0.57422%0.224SC*.  trans-63.9151.6175.7-65.4175.6-179.6174.10109.2G191 H192 S297K189-G191 PolarHBondContact O-N 3.09Å; K189-H192 WeakPolarHBondContact O-CB 3.21Å; K189-H192 PolarHBondContact O-N 3.07Å; K189-S297 PolarHBondContact N-OG 2.81Å
190P97.4Very high96.2Very high130 Ų13036.9 Ų36.984%0.84422%0.219SC*.THydrogen-bonded Turntrans-51.4131.9175.3-26.935.3000111.5H192P190-H192 VanDerWaalsContact C-N 3.28Å; P190-H192 PolarHBondContact O-N 3.45Å
191G97.1Very high94.9Very high30 Ų3041.7 Ų41.731%0.30925%0.245SC..THydrogen-bonded Turntrans79.2-2.9-177.900000115.6K189 Q256K189-G191 PolarHBondContact O-N 3.09Å; G191-Q256 PolarHBondContact O-NE2 3.25Å
192H98.6Very high93.3Very high20 Ų2038.9 Ų38.99%0.09323%0.23CC..  trans-88.9119175.6-68.6-167.8000110.9K189 P190 A194 H296 S297K189-H192 WeakPolarHBondContact O-CB 3.21Å; K189-H192 PolarHBondContact O-N 3.07Å; P190-H192 VanDerWaalsContact C-N 3.28Å; P190-H192 PolarHBondContact O-N 3.45Å; H192-A194 VanDerWaalsContact C-N 3.34Å; H192-H296 VanDerWaalsContact CE1-C 3.45Å; H192-H296 PolarHBondContact CE1-O 3.35Å; H192-H296 PolarHBondContact ND1-O 3.14Å; H192-S297 PolarHBondContact ND1-N 3.35Å; H192-S297 VanDerWaalsContact ND1-N 3.16Å
193A98.6Very high91.7Very high1 Ų137.4 Ų37.41%0.00822%0.218CC..  trans-81-12.2179.200000113.7A248 N249 E252 W253 I258 F292A193-A248 CarbonylContact O-C 3.41Å; A193-A248 WeakPolarHBondContact O-CA 3.07Å; A193-N249 PolarHBondContact O-N 3.15Å; A193-E252 HydrophobicContact CB-CB 4.17Å; A193-E252 HydrophobicContact CB-CG 3.94Å; A193-W253 HydrophobicContact CB-CB 4.21Å; A193-W253 HydrophobicContact CB-CE3 4.43Å; A193-I258 HydrophobicContact CB-CD1 4.48Å; A193-I258 HydrophobicContact CB-CG1 4.04Å; A193-F292 HydrophobicContact CB-CE1 4Å
194A98.6Very high89.8Confident0 Ų037.5 Ų37.50%022%0.218CC..EExtended strand (participates in β ladder)trans-152161177.900000113.1H192 F196 F246 V247 W253 F292 H296 S297H192-A194 VanDerWaalsContact C-N 3.34Å; A194-F196 HydrophobicContact CB-CD2 4.33Å; A194-F196 HydrophobicContact CB-CE2 3.53Å; A194-F196 HydrophobicContact CB-CZ 3.79Å; A194-F246 HydrophobicContact CB-CD2 4.29Å; A194-V247 CarbonylContact C-O 3.53Å; A194-V247 WeakPolarHBondContact CA-O 3.42Å; A194-W253 HydrophobicContact CB-CZ3 4.31Å; A194-F292 HydrophobicContact CB-CD1 4.16Å; A194-F292 HydrophobicContact CB-CE1 3.56Å; A194-F292 HydrophobicContact CB-CZ 3.84Å; A194-H296 WeakPolarHBondContact O-CA 3.47Å; A194-S297 PolarHBondContact O-N 2.87Å
195A98.5Very high87.9Confident0 Ų039.4 Ų39.40%023%0.231CC..EExtended strand (participates in β ladder)trans-121.4140.9163.300000111.3T186 L188 F246 V247 S297 I299T186-A195 HydrophobicContact CG2-CB 3.87Å; L188-A195 HydrophobicContact CD2-CB 3.47Å; L188-A195 VanDerWaalsContact CD2-CB 3.47Å; A195-F246 WeakPolarHBondContact O-CA 3.16Å; A195-F246 VanDerWaalsContact O-CB 3.22Å; A195-F246 WeakPolarHBondContact O-CB 3.32Å; A195-V247 HydrophobicContact CB-CB 4.49Å; A195-V247 PolarHBondContact N-O 3.12Å; A195-V247 PolarHBondContact O-N 3.36Å; A195-V247 VanDerWaalsContact O-N 3.13Å; A195-S297 CarbonylContact C-O 3.41Å; A195-S297 WeakPolarHBondContact CA-O 3.42Å; A195-S297 WeakPolarHBondContact CB-O 3.33Å; A195-I299 HydrophobicContact CB-CD1 4.28Å; A195-I299 HydrophobicContact CB-CG1 3.71Å; A195-I299 WeakPolarHBondContact O-CD1 3.46Å
196F97.4Very high85.9Confident0 Ų044.2 Ų44.20%025%0.248CC..EExtended strand (participates in β ladder)trans-129.5156.1179.1-60.1-86.6000110.9A194 F241 F246 F292 H296 S297 T298 I299A194-F196 HydrophobicContact CB-CD2 4.33Å; A194-F196 HydrophobicContact CB-CE2 3.53Å; A194-F196 HydrophobicContact CB-CZ 3.79Å; F196-F241 HydrophobicContact CB-CB 3.69Å; F196-F241 HydrophobicContact CB-CD1 4.15Å; F196-F241 HydrophobicContact CB-CD2 3.92Å; F196-F241 HydrophobicContact CB-CG 3.66Å; F196-F241 AromaticContact CD1-CD2 3.55Å; F196-F241 HydrophobicContact CD1-CD2 3.55Å; F196-F241 AromaticContact CD1-CE2 3.77Å; F196-F241 HydrophobicContact CD1-CE2 3.77Å; F196-F241 HydrophobicContact CD1-CG 4.2Å; F196-F241 HydrophobicContact CD2-CD1 4.21Å; F196-F241 HydrophobicContact CD2-CD2 4.08Å; F196-F241 HydrophobicContact CD2-CE1 4.06Å; F196-F241 AromaticContact CD2-CE2 3.94Å; F196-F241 HydrophobicContact CD2-CE2 3.94Å; F196-F241 HydrophobicContact CD2-CG 4.22Å; F196-F241 AromaticContact CD2-CZ 3.93Å; F196-F241 HydrophobicContact CD2-CZ 3.93Å; F196-F241 HydrophobicContact CE1-CD2 4.06Å; F196-F241 AromaticContact CE1-CE2 3.82Å; F196-F241 HydrophobicContact CE1-CE2 3.82Å; F196-F241 HydrophobicContact CE2-CE1 4.43Å; F196-F241 AromaticContact CE2-CE2 3.97Å; F196-F241 HydrophobicContact CE2-CE2 3.97Å; F196-F241 AromaticContact CE2-CZ 3.92Å; F196-F241 HydrophobicContact CE2-CZ 3.92Å; F196-F241 HydrophobicContact CG-CB 4.33Å; F196-F241 HydrophobicContact CG-CD1 4.21Å; F196-F241 AromaticContact CG-CD2 3.58Å; F196-F241 HydrophobicContact CG-CD2 3.58Å; F196-F241 HydrophobicContact CG-CE1 4.44Å; F196-F241 AromaticContact CG-CE2 3.86Å; F196-F241 HydrophobicContact CG-CE2 3.86Å; F196-F241 AromaticContact CG-CG 3.79Å; F196-F241 HydrophobicContact CG-CG 3.79Å; F196-F241 HydrophobicContact CG-CZ 4.28Å; F196-F241 AromaticContact CZ-CE2 3.93Å; F196-F241 HydrophobicContact CZ-CE2 3.93Å; F196-F241 HydrophobicContact CZ-CZ 4.26Å; F196-F246 HydrophobicContact CD1-CB 3.37Å; F196-F246 HydrophobicContact CD1-CD1 4.42Å; F196-F246 HydrophobicContact CD1-CG 4Å; F196-F246 HydrophobicContact CE1-CB 3.37Å; F196-F246 AromaticContact CE1-CD1 3.78Å; F196-F246 HydrophobicContact CE1-CD1 3.78Å; F196-F246 AromaticContact CE1-CD2 3.92Å; F196-F246 HydrophobicContact CE1-CD2 3.92Å; F196-F246 HydrophobicContact CE1-CE1 4.47Å; F196-F246 AromaticContact CE1-CG 3.45Å; F196-F246 HydrophobicContact CE1-CG 3.45Å; F196-F246 VanDerWaalsContact CE1-CG 3.45Å; F196-F246 HydrophobicContact CG-CB 4.22Å; F196-F246 HydrophobicContact CZ-CB 4.22Å; F196-F246 HydrophobicContact CZ-CD2 4.14Å; F196-F246 HydrophobicContact CZ-CG 4.14Å; F196-F292 HydrophobicContact CE2-CB 4.13Å; F196-F292 HydrophobicContact CE2-CD1 4.07Å; F196-F292 AromaticContact CE2-CD2 3.91Å; F196-F292 HydrophobicContact CE2-CD2 3.91Å; F196-F292 HydrophobicContact CE2-CE1 4.47Å; F196-F292 HydrophobicContact CE2-CE2 4.34Å; F196-F292 AromaticContact CE2-CG 3.77Å; F196-F292 HydrophobicContact CE2-CG 3.77Å; F196-F292 AromaticContact CZ-CD2 4Å; F196-F292 HydrophobicContact CZ-CD2 4Å; F196-F292 HydrophobicContact CZ-CE2 4.15Å; F196-F292 HydrophobicContact CZ-CG 4.33Å; F196-H296 HydrophobicContact CD2-CB 3.76Å; F196-H296 AromaticContact CD2-CD2 3.97Å; F196-H296 AromaticContact CD2-CG 3.97Å; F196-H296 HydrophobicContact CE2-CB 4.12Å; F196-S297 PolarHBondContact N-O 2.97Å; F196-T298 CarbonylContact O-C 3.4Å; F196-T298 WeakPolarHBondContact O-CA 3.45Å; F196-I299 PolarHBondContact O-N 2.82Å
197S94.4Very high83.9Confident2 Ų246.6 Ų46.61%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-82.9119163.7177.60000108.4F241S197-F241 WeakPolarHBondContact O-CB 3Å
198E91.1Very high81.8Confident44 Ų4447.7 Ų47.721%0.20627%0.266CS..EExtended strand (participates in β ladder)trans-71.9147.6175.2-66.8-171.1-167.800111.4H296E198-H296 IonicContact OE1-NE2 2.67Å; E198-H296 PolarHBondContact OE1-NE2 2.86Å
199D85.4Confident79.9Confident1 Ų146.7 Ų46.71%0.00526%0.261CS..SBendtrans-79.9-21.9-174-67.6-18.6000112.2T205 Y216 S240 N242 R306D199-T205 PolarHBondContact O-OG1 2.99Å; D199-Y216 HydrophobicContact CB-CD1 4.14Å; D199-S240 WeakPolarHBondContact CB-O 2.83Å; D199-S240 PolarHBondContact N-O 3.23Å; D199-S240 PolarHBondContact OD2-OG 3.34Å; D199-N242 PolarHBondContact OD1-N 3.05Å; D199-R306 IonicContact OD1-CZ 2.6Å; D199-R306 IonicContact OD1-NE 3.3Å; D199-R306 IonicContact OD1-NH1 3.88Å; D199-R306 PolarHBondContact OD1-NH1 3.47Å; D199-R306 IonicContact OD1-NH2 3.71Å; D199-R306 PolarHBondContact OD1-NH2 3.39Å; D199-R306 IonicContact OD2-CZ 3.37Å; D199-R306 IonicContact OD2-NH1 2.71Å; D199-R306 PolarHBondContact OD2-NH1 3.06Å; D199-R306 IonicContact OD2-NH2 2.74Å; D199-R306 PolarHBondContact OD2-NH2 2.93Å; D199-R306 VanDerWaalsContact OD2-NH2 3.11Å
200C81.9Confident77.5Confident37 Ų3751.6 Ų51.625%0.2528%0.276CS..SBendtrans-73.4-37176.8-71.20000112.5S202 T205 C239C200-S202 VanDerWaalsContact C-N 3.27Å; C200-S202 PolarHBondContact O-N 2.68Å; C200-T205 WeakPolarHBondContact O-CB 3.3Å; C200-T205 PolarHBondContact O-OG1 2.89Å; C200-C239 HydrophobicContact CB-CB 3.76Å; C200-C239 WeakPolarHBondContact CB-SG 3.16Å; C200-C239 VanDerWaalsContact SG-CA 3.6Å; C200-C239 WeakPolarHBondContact SG-CB 3.29Å; C200-C239 CovalentContact SG-SG 2.03Å; C200-C239 PolarHBondContact SG-SG 2.95Å
201D71.3Confident75.3Confident103 Ų10349.4 Ų49.455%0.55128%0.277SS*.SBendtrans-85.6-1.6-179.9-66.6-24.8000112.9P301D201-P301 HydrophobicContact CB-CG 3.87Å; D201-P301 WeakPolarHBondContact O-CB 3.16Å; D201-P301 VanDerWaalsContact O-CG 3.26Å; D201-P301 WeakPolarHBondContact O-CG 3.46Å
202S65.3Low73.1Confident2 Ų248.6 Ų48.61%0.01427%0.267CS..SBendtrans-66.2144.6178.9-167.10000112.2C200 S204 T205C200-S202 VanDerWaalsContact C-N 3.27Å; C200-S202 PolarHBondContact O-N 2.68Å; S202-S204 VanDerWaalsContact CB-OG 3.3Å; S202-S204 WeakPolarHBondContact CB-OG 3.33Å; S202-S204 PolarHBondContact O-N 3.12Å; S202-S204 VanDerWaalsContact O-N 3.07Å; S202-S204 PolarHBondContact OG-N 3.12Å; S202-S204 PolarHBondContact OG-OG 3.05Å; S202-T205 PolarHBondContact O-N 3.05Å; S202-T205 VanDerWaalsContact O-N 3.1Å; S202-T205 PolarHBondContact O-OG1 3.22Å
203A63.9Low71.3Confident26 Ų2649.8 Ų49.822%0.21529%0.286CS..G310 helixtrans-58.9-21.217000000112.3Y316 F320A203-Y316 HydrophobicContact CB-CE1 4.38Å; A203-F320 HydrophobicContact CB-CE1 3.97Å; A203-F320 HydrophobicContact CB-CE2 3.88Å; A203-F320 HydrophobicContact CB-CZ 3.22Å
204S59Low69.8Low2 Ų252.9 Ų52.91%0.01430%0.302CS..G310 helixtrans-69.8-28.917656.60000114.4S202 K206 V207 H307 Y316S202-S204 VanDerWaalsContact CB-OG 3.3Å; S202-S204 WeakPolarHBondContact CB-OG 3.33Å; S202-S204 PolarHBondContact O-N 3.12Å; S202-S204 VanDerWaalsContact O-N 3.07Å; S202-S204 PolarHBondContact OG-N 3.12Å; S202-S204 PolarHBondContact OG-OG 3.05Å; S204-K206 PolarHBondContact O-N 2.96Å; S204-V207 PolarHBondContact O-N 2.99Å; S204-V207 VanDerWaalsContact O-O 3.1Å; S204-H307 PolarHBondContact OG-CD2 3.22Å; S204-Y316 WeakPolarHBondContact CA-OH 3.44Å; S204-Y316 WeakPolarHBondContact CB-OH 3.4Å; S204-Y316 PolarHBondContact N-OH 3.09Å
205T57.8Low68.8Low49 Ų4955 Ų5530%0.30131%0.312SS..G310 helixtrans-64.9-23.1-175.8-200000112D199 C200 S202 V207 Y216D199-T205 PolarHBondContact O-OG1 2.99Å; C200-T205 WeakPolarHBondContact O-CB 3.3Å; C200-T205 PolarHBondContact O-OG1 2.89Å; S202-T205 PolarHBondContact O-N 3.05Å; S202-T205 VanDerWaalsContact O-N 3.1Å; S202-T205 PolarHBondContact O-OG1 3.22Å; T205-V207 PolarHBondContact O-N 3.2Å; T205-Y216 HydrophobicContact CG2-CD1 3.78Å; T205-Y216 HydrophobicContact CG2-CE1 3.89Å; T205-Y216 HydrophobicContact CG2-CG 4.26Å
206K55.7Low68.1Low191 Ų19156.7 Ų56.783%0.8332%0.318SS*.G310 helixtrans-73.6-7.9176.5-61.6-176.9-178.5178.50113.2S204S204-K206 PolarHBondContact O-N 2.96Å
207V55.9Low67.8Low60 Ų6058.3 Ų58.336%0.36433%0.327SS..SBendtrans-120.3116.1177.5-176.30000109S204 T205 I209S204-V207 PolarHBondContact O-N 2.99Å; S204-V207 VanDerWaalsContact O-O 3.1Å; T205-V207 PolarHBondContact O-N 3.2Å; V207-I209 WeakPolarHBondContact O-CG1 3.49Å; V207-I209 PolarHBondContact O-N 3.26Å
208V54.3Low67.7Low131 Ų13158.3 Ų58.379%0.79433%0.327SS*.  trans-60111.7176.4177.70000109.6R210V208-R210 PolarHBondContact O-N 2.7Å
209I56.9Low67.7Low19 Ų1959.7 Ų59.710%0.09734%0.335CS..  trans-85.694.6177-50.7178.2000108.8V207 G211 A212 Y216 H307 R315V207-I209 WeakPolarHBondContact O-CG1 3.49Å; V207-I209 PolarHBondContact O-N 3.26Å; I209-G211 PolarHBondContact O-N 2.99Å; I209-A212 HydrophobicContact CB-CB 3.83Å; I209-A212 HydrophobicContact CG2-CB 3.33Å; I209-A212 PolarHBondContact O-N 3.46Å; I209-Y216 WeakPolarHBondContact CD1-OH 3.26Å; I209-Y216 VanDerWaalsContact CG1-OH 3.27Å; I209-Y216 WeakPolarHBondContact CG1-OH 3.38Å; I209-H307 HydrophobicContact CD1-CB 3.85Å; I209-H307 VanDerWaalsContact CD1-CG 3.44Å; I209-R315 VanDerWaalsContact CG2-NH1 3.32Å
210R49.3Very low67.9Low235 Ų23559.8 Ų59.889%0.88734%0.336SS*.THydrogen-bonded Turntrans-60.1126.1170.9-68.1-173.8178.1-176.7-0.4109.4V208V208-R210 PolarHBondContact O-N 2.7Å
211G49.6Very low68.5Low84 Ų8458.5 Ų58.587%0.86633%0.326SS*.THydrogen-bonded Turntrans86-1.2175.300000116.6I209 G213I209-G211 PolarHBondContact O-N 2.99Å; G211-G213 VanDerWaalsContact C-N 3.31Å; G211-G213 PolarHBondContact O-N 3.3Å
212A52.6Low69.6Low13 Ų1353.7 Ų53.711%0.10730%0.3CS..SBendtrans-81.9-3.6176.700000114.4I209 Q215 L279I209-A212 HydrophobicContact CB-CB 3.83Å; I209-A212 HydrophobicContact CG2-CB 3.33Å; I209-A212 PolarHBondContact O-N 3.46Å; A212-Q215 VanDerWaalsContact O-CD 3.22Å; A212-Q215 WeakPolarHBondContact O-CG 3.27Å; A212-Q215 PolarHBondContact O-NE2 3.11Å; A212-L279 WeakPolarHBondContact O-CD2 3.44Å
213G59.3Low71Confident46 Ų4655.4 Ų55.447%0.47431%0.309SS..  trans63.3179.4-167.200000111.7G211 Q215G211-G213 VanDerWaalsContact C-N 3.31Å; G211-G213 PolarHBondContact O-N 3.3Å; G213-Q215 VanDerWaalsContact C-N 3.31Å; G213-Q215 PolarHBondContact O-N 3.27Å
214N67.9Low72.4Confident65 Ų6556.2 Ų56.235%0.34831%0.307SS..SBendtrans-79.578.8177.2-169.9-0.1000111.1Y216 N217 I219 G220N214-Y216 PolarHBondContact O-N 3.04Å; N214-Y216 PolarHBondContact OD1-N 3.38Å; N214-N217 PolarHBondContact OD1-OD1 2.97Å; N214-I219 HydrophobicContact CB-CG2 4.41Å; N214-I219 WeakPolarHBondContact ND2-CG2 3.39Å; N214-G220 VanDerWaalsContact O-CA 3.3Å; N214-G220 WeakPolarHBondContact O-CA 3.26Å
215Q77.6Confident74.1Confident44 Ų4465 Ų6521%0.20635%0.345CS..  trans-837.1176.8-70.3178.41000113.9A212 G213 Y221 S240 L279 H307A212-Q215 VanDerWaalsContact O-CD 3.22Å; A212-Q215 WeakPolarHBondContact O-CG 3.27Å; A212-Q215 PolarHBondContact O-NE2 3.11Å; G213-Q215 VanDerWaalsContact C-N 3.31Å; G213-Q215 PolarHBondContact O-N 3.27Å; Q215-Y221 PolarHBondContact O-OH 2.98Å; Q215-S240 PolarHBondContact O-OG 2.91Å; Q215-L279 HydrophobicContact CG-CD1 3.77Å; Q215-L279 HydrophobicContact CG-CD2 3.52Å; Q215-L279 HydrophobicContact CG-CG 4.28Å; Q215-H307 PolarHBondContact OE1-CE1 3.12Å
216Y84.1Confident75.9Confident36 Ų3666 Ų6614%0.14135%0.345CS..SBendtrans-101.9-18.9-175-56.7-68.6000113D199 T205 I209 N214 C239 S240D199-Y216 HydrophobicContact CB-CD1 4.14Å; T205-Y216 HydrophobicContact CG2-CD1 3.78Å; T205-Y216 HydrophobicContact CG2-CE1 3.89Å; T205-Y216 HydrophobicContact CG2-CG 4.26Å; I209-Y216 WeakPolarHBondContact CD1-OH 3.26Å; I209-Y216 VanDerWaalsContact CG1-OH 3.27Å; I209-Y216 WeakPolarHBondContact CG1-OH 3.38Å; N214-Y216 PolarHBondContact O-N 3.04Å; N214-Y216 PolarHBondContact OD1-N 3.38Å; Y216-C239 CarbonylContact O-C 3.53Å; Y216-C239 WeakPolarHBondContact O-CA 3.3Å; Y216-S240 WeakPolarHBondContact CA-OG 3.41Å; Y216-S240 PolarHBondContact O-N 3.47Å; Y216-S240 PolarHBondContact O-OG 3.15Å
217N90.2Very high77.9Confident35 Ų3562.5 Ų62.519%0.18733%0.331CS..BIsolated β-bridgetrans-137.1160.4-174.9-51.291.7000111.8N214 I219 G220 Y221 S237 T238N214-N217 PolarHBondContact OD1-OD1 2.97Å; N217-I219 HydrophobicContact CB-CG2 4.26Å; N217-I219 PolarHBondContact O-N 3.1Å; N217-I219 VanDerWaalsContact O-N 3.09Å; N217-G220 PolarHBondContact O-N 3.1Å; N217-Y221 WeakPolarHBondContact O-CD2 3.36Å; N217-S237 PolarHBondContact ND2-O 3.44Å; N217-T238 CarbonylContact C-O 3.55Å; N217-T238 WeakPolarHBondContact CA-O 3.25Å; N217-T238 WeakPolarHBondContact CB-O 3.17Å
218Y93.5Very high79.9Confident2 Ų264.2 Ų64.21%0.00833%0.331CS..G310 helixtrans-59.6-26.9-175.5-83.145.8000113.5G220 Y221 L222 Y224 M234 A236 T238 C239 L289 Y293Y218-G220 PolarHBondContact O-N 2.92Å; Y218-Y221 PolarHBondContact O-N 3.26Å; Y218-L222 HydrophobicContact CD2-CD1 3.72Å; Y218-L222 HydrophobicContact CG-CD1 4.48Å; Y218-L222 PolarHBondContact O-N 2.81Å; Y218-Y224 WeakPolarHBondContact CB-OH 3.16Å; Y218-M234 HydrophobicContact CD2-CE 4.31Å; Y218-M234 HydrophobicContact CD2-SD 4.14Å; Y218-M234 HydrophobicContact CE2-CE 4.46Å; Y218-M234 HydrophobicContact CE2-SD 3.82Å; Y218-A236 PolarHBondContact N-O 2.71Å; Y218-T238 HydrophobicContact CD1-CG2 4.08Å; Y218-T238 VanDerWaalsContact CD1-O 3.25Å; Y218-T238 WeakPolarHBondContact CD1-O 3.44Å; Y218-T238 HydrophobicContact CE1-CG2 3.84Å; Y218-T238 PolarHBondContact N-O 2.73Å; Y218-C239 WeakPolarHBondContact CE1-O 3.32Å; Y218-L289 HydrophobicContact CD1-CD1 4.26Å; Y218-L289 HydrophobicContact CD2-CB 4.4Å; Y218-L289 HydrophobicContact CE1-CB 4.25Å; Y218-L289 HydrophobicContact CE1-CD1 4.22Å; Y218-L289 HydrophobicContact CE1-CD2 3.78Å; Y218-L289 HydrophobicContact CE1-CG 4.3Å; Y218-L289 HydrophobicContact CE2-CB 3.72Å; Y218-L289 HydrophobicContact CG-CD1 4.5Å; Y218-L289 PolarHBondContact OH-O 3.41Å; Y218-Y293 HydrophobicContact CD2-CD2 4.36Å; Y218-Y293 AromaticContact CE2-CD2 3.48Å; Y218-Y293 HydrophobicContact CE2-CD2 3.48Å; Y218-Y293 VanDerWaalsContact CE2-CD2 3.48Å; Y218-Y293 HydrophobicContact CE2-CE2 4Å; Y218-Y293 AromaticContact CZ-CD2 3.68Å
219I91.1Very high81.9Confident73 Ų7358 Ų5837%0.37429%0.294SS..G310 helixtrans-58.3-26.8176.2-166.357.1000113.5N214 N217 Y221 Y224 A236N214-I219 HydrophobicContact CB-CG2 4.41Å; N214-I219 WeakPolarHBondContact ND2-CG2 3.39Å; N217-I219 HydrophobicContact CB-CG2 4.26Å; N217-I219 PolarHBondContact O-N 3.1Å; N217-I219 VanDerWaalsContact O-N 3.09Å; I219-Y221 VanDerWaalsContact C-N 3.33Å; I219-Y224 HydrophobicContact CD1-CD2 3.53Å; I219-Y224 HydrophobicContact CD1-CE2 4.18Å; I219-Y224 HydrophobicContact CD1-CG 4.14Å; I219-A236 HydrophobicContact CB-CB 4.08Å; I219-A236 HydrophobicContact CD1-CB 4.08Å; I219-A236 HydrophobicContact CG1-CB 4.43Å; I219-A236 PolarHBondContact N-O 3.36Å; I219-A236 VanDerWaalsContact N-O 3.07Å
220G89.7Confident83.8Confident2 Ų264.9 Ų64.92%0.02132%0.318CS..G310 helixtrans-76.4-20.7175.500000114N214 N217 Y218 S276 T278 L279N214-G220 VanDerWaalsContact O-CA 3.3Å; N214-G220 WeakPolarHBondContact O-CA 3.26Å; N217-G220 PolarHBondContact O-N 3.1Å; Y218-G220 PolarHBondContact O-N 2.92Å; G220-S276 VanDerWaalsContact O-CB 3.25Å; G220-S276 WeakPolarHBondContact O-CB 3.2Å; G220-S276 PolarHBondContact O-OG 2.75Å; G220-T278 PolarHBondContact O-OG1 2.96Å; G220-T278 VanDerWaalsContact O-OG1 3.06Å; G220-L279 WeakPolarHBondContact O-CD1 3.39Å; G220-L279 WeakPolarHBondContact O-CG 3.45Å
221Y93.1Very high86.1Confident10 Ų1060.6 Ų60.64%0.03931%0.306CS..THydrogen-bonded Turntrans-108.6-31.2-170.4-66-78.6000113.2Q215 N217 Y218 I219 S240 S276 L279 S282 T285 L289Q215-Y221 PolarHBondContact O-OH 2.98Å; N217-Y221 WeakPolarHBondContact O-CD2 3.36Å; Y218-Y221 PolarHBondContact O-N 3.26Å; I219-Y221 VanDerWaalsContact C-N 3.33Å; Y221-S240 WeakPolarHBondContact CE2-OG 3.22Å; Y221-S276 PolarHBondContact O-N 3.13Å; Y221-L279 HydrophobicContact CD1-CD1 3.78Å; Y221-L279 HydrophobicContact CD2-CD1 4.24Å; Y221-L279 HydrophobicContact CE1-CD1 3.49Å; Y221-L279 VanDerWaalsContact CE1-CD1 3.49Å; Y221-L279 HydrophobicContact CE2-CD1 3.98Å; Y221-L279 HydrophobicContact CG-CD1 4.16Å; Y221-S282 WeakPolarHBondContact CD1-OG 3.44Å; Y221-S282 WeakPolarHBondContact CE1-OG 3.42Å; Y221-T285 HydrophobicContact CD1-CG2 3.81Å; Y221-T285 HydrophobicContact CE1-CG2 3.63Å; Y221-T285 HydrophobicContact CG-CG2 4.44Å; Y221-L289 HydrophobicContact CD1-CD1 4.33Å; Y221-L289 HydrophobicContact CD2-CD1 3.63Å; Y221-L289 HydrophobicContact CE2-CD1 4.35Å; Y221-L289 HydrophobicContact CG-CD1 3.62Å
222L94.6Very high88.4Confident2 Ų259.4 Ų59.41%0.0128%0.28CS..BIsolated β-bridgetrans-113140.1-174.6-57.1177000111.4Y218 Y224 I229 M234 Y275 P286 I290Y218-L222 HydrophobicContact CD2-CD1 3.72Å; Y218-L222 HydrophobicContact CG-CD1 4.48Å; Y218-L222 PolarHBondContact O-N 2.81Å; L222-Y224 HydrophobicContact CB-CD2 4.23Å; L222-Y224 HydrophobicContact CB-CE2 3.88Å; L222-Y224 WeakPolarHBondContact O-CD2 3.15Å; L222-Y224 PolarHBondContact O-N 3.02Å; L222-I229 HydrophobicContact CB-CG2 3.96Å; L222-I229 HydrophobicContact CD1-CG2 4.4Å; L222-I229 HydrophobicContact CD2-CD1 4.22Å; L222-M234 HydrophobicContact CD1-CE 3.3Å; L222-Y275 HydrophobicContact CD2-CD1 4.22Å; L222-P286 HydrophobicContact CD2-CB 3.78Å; L222-I290 HydrophobicContact CD1-CG1 4.39Å; L222-I290 HydrophobicContact CD2-CD1 3.91Å; L222-I290 HydrophobicContact CD2-CG1 4.04Å
223D94Very high90.4Very high38 Ų3863.7 Ų63.720%0.20331%0.309CS..  trans-84.193.5173.4-173.5-0.6000110.5K225 K226 L274D223-K225 PolarHBondContact O-N 3.25Å; D223-K225 VanDerWaalsContact O-N 3.1Å; D223-K225 WeakPolarHBondContact OD1-CB 3.25Å; D223-K225 WeakPolarHBondContact OD1-CG 3.36Å; D223-K225 PolarHBondContact OD1-N 2.9Å; D223-K226 HydrophobicContact CB-CG 3.84Å; D223-K226 WeakPolarHBondContact O-CB 3.42Å; D223-K226 PolarHBondContact O-N 2.89Å; D223-K226 VanDerWaalsContact OD2-CE 3.31Å; D223-K226 WeakPolarHBondContact OD2-CE 3.38Å; D223-L274 WeakPolarHBondContact CB-O 3.11Å; D223-L274 PolarHBondContact N-O 3.11Å
224Y94.4Very high92.2Very high44 Ų4462.1 Ų62.117%0.17329%0.289CS..THydrogen-bonded Turntrans-66.4-5.7178-79.1-92.7000114.2Y218 I219 L222 K226 I229 R230 M234 K235 A236Y218-Y224 WeakPolarHBondContact CB-OH 3.16Å; I219-Y224 HydrophobicContact CD1-CD2 3.53Å; I219-Y224 HydrophobicContact CD1-CE2 4.18Å; I219-Y224 HydrophobicContact CD1-CG 4.14Å; L222-Y224 HydrophobicContact CB-CD2 4.23Å; L222-Y224 HydrophobicContact CB-CE2 3.88Å; L222-Y224 WeakPolarHBondContact O-CD2 3.15Å; L222-Y224 PolarHBondContact O-N 3.02Å; Y224-K226 VanDerWaalsContact C-N 3.27Å; Y224-I229 HydrophobicContact CD1-CG2 4.12Å; Y224-I229 HydrophobicContact CD2-CG2 4.45Å; Y224-I229 HydrophobicContact CE1-CG2 4.25Å; Y224-I229 HydrophobicContact CG-CG2 4.22Å; Y224-R230 VanDerWaalsContact O-CD 3.3Å; Y224-R230 WeakPolarHBondContact O-CD 3.43Å; Y224-R230 WeakPolarHBondContact O-CG 3.39Å; Y224-M234 WeakPolarHBondContact CE1-O 3.41Å; Y224-M234 PolarHBondContact OH-O 2.98Å; Y224-K235 PolarHBondContact OH-O 3.47Å; Y224-A236 HydrophobicContact CD1-CB 4.4Å; Y224-A236 HydrophobicContact CD2-CB 4.32Å; Y224-A236 HydrophobicContact CE1-CB 4.07Å; Y224-A236 HydrophobicContact CE2-CB 3.97Å; Y224-A236 VanDerWaalsContact CZ-CA 3.47Å; Y224-A236 WeakPolarHBondContact OH-CA 3.06Å; Y224-A236 PolarHBondContact OH-N 2.77Å
225K94.6Very high93.5Very high186 Ų18665.8 Ų65.881%0.80930%0.302SS*.THydrogen-bonded Turntrans-74.7-22.3169.2-57.9176.3179.3177.80111.6D223D223-K225 PolarHBondContact O-N 3.25Å; D223-K225 VanDerWaalsContact O-N 3.1Å; D223-K225 WeakPolarHBondContact OD1-CB 3.25Å; D223-K225 WeakPolarHBondContact OD1-CG 3.36Å; D223-K225 PolarHBondContact OD1-N 2.9Å
226K96.2Very high94.2Very high71 Ų7165.4 Ų65.431%0.30931%0.307SS..SBendtrans-76.9127.9179.9-57.7-72.5175.6158.20110.5D223 Y224 R228 I229 R230 E272 G273 L274D223-K226 HydrophobicContact CB-CG 3.84Å; D223-K226 WeakPolarHBondContact O-CB 3.42Å; D223-K226 PolarHBondContact O-N 2.89Å; D223-K226 VanDerWaalsContact OD2-CE 3.31Å; D223-K226 WeakPolarHBondContact OD2-CE 3.38Å; Y224-K226 VanDerWaalsContact C-N 3.27Å; K226-R228 VanDerWaalsContact C-N 3.28Å; K226-R228 PolarHBondContact O-N 2.97Å; K226-I229 HydrophobicContact CB-CB 4.38Å; K226-I229 HydrophobicContact CB-CG1 4.12Å; K226-I229 PolarHBondContact O-N 3.16Å; K226-I229 VanDerWaalsContact O-N 3.12Å; K226-R230 PolarHBondContact O-N 3.2Å; K226-R230 VanDerWaalsContact O-N 3.12Å; K226-E272 PolarHBondContact NZ-O 2.97Å; K226-G273 WeakPolarHBondContact CE-O 3.3Å; K226-G273 PolarHBondContact NZ-O 2.88Å; K226-L274 HydrophobicContact CB-CD2 4.05Å; K226-L274 HydrophobicContact CG-CD2 4.25Å
227E96.9Very high94.5Very high116 Ų11667.8 Ų67.854%0.54233%0.329SS..Hα-helixtrans-57.7-40.7-178.9-170.2-172.8167.300112.1I229 R230 K231E227-I229 VanDerWaalsContact C-N 3.32Å; E227-I229 PolarHBondContact O-N 3.42Å; E227-R230 PolarHBondContact O-N 3.04Å; E227-K231 HydrophobicContact CG-CD 4.32Å; E227-K231 WeakPolarHBondContact O-CG 3.24Å; E227-K231 PolarHBondContact O-N 3.44Å; E227-K231 WeakPolarHBondContact OE1-CE 3.49Å; E227-K231 IonicContact OE1-NZ 3.03Å; E227-K231 PolarHBondContact OE1-NZ 3.44Å
228R97.4Very high94.6Very high97 Ų9767.8 Ų67.837%0.36633%0.33SS..Hα-helixtrans-58.5-42.1177.1-175.7177.3-63.7-805.9112.7K226 K231 W265 E272 L274K226-R228 VanDerWaalsContact C-N 3.28Å; K226-R228 PolarHBondContact O-N 2.97Å; R228-K231 PolarHBondContact O-N 3.27Å; R228-W265 HydrophobicContact CG-CH2 4.3Å; R228-W265 HydrophobicContact CG-CZ3 4.24Å; R228-E272 IonicContact CZ-OE1 2.62Å; R228-E272 IonicContact CZ-OE2 3.88Å; R228-E272 VanDerWaalsContact NE-CD 3.29Å; R228-E272 IonicContact NE-OE1 3.13Å; R228-E272 PolarHBondContact NE-OE1 3.05Å; R228-E272 IonicContact NE-OE2 2.7Å; R228-E272 PolarHBondContact NE-OE2 3.21Å; R228-E272 IonicContact NH2-OE1 3.91Å; R228-E272 PolarHBondContact NH2-OE1 2.95Å; R228-E272 IonicContact NH2-OE2 2.71Å; R228-L274 HydrophobicContact CB-CD2 4.11Å
229I97.6Very high94.6Very high0 Ų069.3 Ų69.30%034%0.34CS..Hα-helixtrans-66.2-43.8176.8-65.2-55.2000110.4L222 Y224 K226 E227 K231 L232 L274L222-I229 HydrophobicContact CB-CG2 3.96Å; L222-I229 HydrophobicContact CD1-CG2 4.4Å; L222-I229 HydrophobicContact CD2-CD1 4.22Å; Y224-I229 HydrophobicContact CD1-CG2 4.12Å; Y224-I229 HydrophobicContact CD2-CG2 4.45Å; Y224-I229 HydrophobicContact CE1-CG2 4.25Å; Y224-I229 HydrophobicContact CG-CG2 4.22Å; K226-I229 HydrophobicContact CB-CB 4.38Å; K226-I229 HydrophobicContact CB-CG1 4.12Å; K226-I229 PolarHBondContact O-N 3.16Å; K226-I229 VanDerWaalsContact O-N 3.12Å; E227-I229 VanDerWaalsContact C-N 3.32Å; E227-I229 PolarHBondContact O-N 3.42Å; I229-K231 VanDerWaalsContact C-N 3.3Å; I229-K231 PolarHBondContact O-N 2.9Å; I229-L232 HydrophobicContact CD1-CD1 4.17Å; I229-L232 WeakPolarHBondContact O-CB 3.35Å; I229-L232 PolarHBondContact O-N 3.46Å; I229-L232 VanDerWaalsContact O-N 3.14Å; I229-L274 HydrophobicContact CD1-CB 4.15Å; I229-L274 HydrophobicContact CG1-CB 4.34Å; I229-L274 HydrophobicContact CG1-CD2 4.38Å
230R96.5Very high94.6Very high163 Ų16365.9 Ų65.962%0.61532%0.323SS*.Hα-helixtrans-60.6-38.2177.1-71.1172.149.1-154.9-7.6112.8Y224 K226 E227 L232 S233Y224-R230 VanDerWaalsContact O-CD 3.3Å; Y224-R230 WeakPolarHBondContact O-CD 3.43Å; Y224-R230 WeakPolarHBondContact O-CG 3.39Å; K226-R230 PolarHBondContact O-N 3.2Å; K226-R230 VanDerWaalsContact O-N 3.12Å; E227-R230 PolarHBondContact O-N 3.04Å; R230-L232 PolarHBondContact O-N 2.86Å; R230-S233 PolarHBondContact O-N 3.43Å
231K97.6Very high94.8Very high146 Ų14665.8 Ų65.864%0.63532%0.322SS*.Hα-helixtrans-66.5-16.6178.1-77179.2177.3168.70114E227 R228 I229 S233E227-K231 HydrophobicContact CG-CD 4.32Å; E227-K231 WeakPolarHBondContact O-CG 3.24Å; E227-K231 PolarHBondContact O-N 3.44Å; E227-K231 WeakPolarHBondContact OE1-CE 3.49Å; E227-K231 IonicContact OE1-NZ 3.03Å; E227-K231 PolarHBondContact OE1-NZ 3.44Å; R228-K231 PolarHBondContact O-N 3.27Å; I229-K231 VanDerWaalsContact C-N 3.3Å; I229-K231 PolarHBondContact O-N 2.9Å; K231-S233 PolarHBondContact O-N 2.97Å
232L97.1Very high94.7Very high59 Ų5966.1 Ų66.131%0.30932%0.324SS..THydrogen-bonded Turntrans-74.4-12.5172-61.4171000112.6I229 R230 M234 W265 I290I229-L232 HydrophobicContact CD1-CD1 4.17Å; I229-L232 WeakPolarHBondContact O-CB 3.35Å; I229-L232 PolarHBondContact O-N 3.46Å; I229-L232 VanDerWaalsContact O-N 3.14Å; R230-L232 PolarHBondContact O-N 2.86Å; L232-M234 HydrophobicContact CB-CE 3.93Å; L232-M234 HydrophobicContact CB-CG 4.08Å; L232-M234 HydrophobicContact CB-SD 4.49Å; L232-M234 HydrophobicContact CD1-CE 3.51Å; L232-M234 HydrophobicContact CG-CE 4.38Å; L232-M234 PolarHBondContact O-N 2.73Å; L232-W265 HydrophobicContact CD1-CH2 3.54Å; L232-W265 HydrophobicContact CD1-CZ2 3.97Å; L232-W265 HydrophobicContact CD1-CZ3 4.24Å; L232-W265 HydrophobicContact CD2-CH2 3.77Å; L232-W265 HydrophobicContact CD2-CZ2 3.78Å; L232-W265 HydrophobicContact CG-CH2 4.09Å; L232-W265 HydrophobicContact CG-CZ2 4.47Å; L232-I290 HydrophobicContact CD1-CG1 4.39Å; L232-I290 HydrophobicContact CD1-CG2 3.94Å
233S95.8Very high94.6Very high103 Ų10366.3 Ų66.372%0.7233%0.326SS*.THydrogen-bonded Turntrans54.621.4178.9-59.50000114.8R230 K231R230-S233 PolarHBondContact O-N 3.43Å; K231-S233 PolarHBondContact O-N 2.97Å
234M96.6Very high94.6Very high13 Ų1364.5 Ų64.56%0.06432%0.316CS..  trans-73.8139172.6-60.9-176.6-6000109.6Y218 L222 Y224 L232 I290 Y293Y218-M234 HydrophobicContact CD2-CE 4.31Å; Y218-M234 HydrophobicContact CD2-SD 4.14Å; Y218-M234 HydrophobicContact CE2-CE 4.46Å; Y218-M234 HydrophobicContact CE2-SD 3.82Å; L222-M234 HydrophobicContact CD1-CE 3.3Å; Y224-M234 WeakPolarHBondContact CE1-O 3.41Å; Y224-M234 PolarHBondContact OH-O 2.98Å; L232-M234 HydrophobicContact CB-CE 3.93Å; L232-M234 HydrophobicContact CB-CG 4.08Å; L232-M234 HydrophobicContact CB-SD 4.49Å; L232-M234 HydrophobicContact CD1-CE 3.51Å; L232-M234 HydrophobicContact CG-CE 4.38Å; L232-M234 PolarHBondContact O-N 2.73Å; M234-I290 HydrophobicContact CE-CG1 4.02Å; M234-Y293 HydrophobicContact CB-CD2 4.23Å; M234-Y293 HydrophobicContact CB-CE1 4.3Å; M234-Y293 HydrophobicContact CB-CE2 3.79Å; M234-Y293 HydrophobicContact CG-CD1 3.76Å; M234-Y293 HydrophobicContact CG-CD2 3.78Å; M234-Y293 HydrophobicContact CG-CE1 3.78Å; M234-Y293 HydrophobicContact CG-CE2 3.78Å; M234-Y293 HydrophobicContact CG-CG 3.75Å; M234-Y293 HydrophobicContact SD-CD1 4.2Å; M234-Y293 HydrophobicContact SD-CD2 3.62Å; M234-Y293 HydrophobicContact SD-CE2 4.17Å; M234-Y293 HydrophobicContact SD-CG 3.62Å
235K94.4Very high94.7Very high142 Ų14262.5 Ų62.562%0.61731%0.308SS*.  trans-76.4131.8177.9-62.5179-178.9176.30110.1Y224 S237 T238 Y293Y224-K235 PolarHBondContact OH-O 3.47Å; K235-S237 PolarHBondContact O-N 2.81Å; K235-S237 VanDerWaalsContact O-N 3.14Å; K235-T238 WeakPolarHBondContact O-CB 3.18Å; K235-T238 PolarHBondContact O-N 2.03Å; K235-T238 PolarHBondContact O-OG1 3.1Å; K235-Y293 PolarHBondContact N-OH 2.85Å
236A92.3Very high94.9Very high36 Ų3653.6 Ų53.630%0.29827%0.27SS..THydrogen-bonded Turntrans-55.4-30.1173.800000113.5Y218 I219 Y224Y218-A236 PolarHBondContact N-O 2.71Å; I219-A236 HydrophobicContact CB-CB 4.08Å; I219-A236 HydrophobicContact CD1-CB 4.08Å; I219-A236 HydrophobicContact CG1-CB 4.43Å; I219-A236 PolarHBondContact N-O 3.36Å; I219-A236 VanDerWaalsContact N-O 3.07Å; Y224-A236 HydrophobicContact CD1-CB 4.4Å; Y224-A236 HydrophobicContact CD2-CB 4.32Å; Y224-A236 HydrophobicContact CE1-CB 4.07Å; Y224-A236 HydrophobicContact CE2-CB 3.97Å; Y224-A236 VanDerWaalsContact CZ-CA 3.47Å; Y224-A236 WeakPolarHBondContact OH-CA 3.06Å; Y224-A236 PolarHBondContact OH-N 2.77Å
237S91.1Very high95Very high86 Ų8650.2 Ų50.260%0.60126%0.255SS*.THydrogen-bonded Turntrans-86.1-0.9177.257.80000114.5N217 K235 C239N217-S237 PolarHBondContact ND2-O 3.44Å; K235-S237 PolarHBondContact O-N 2.81Å; K235-S237 VanDerWaalsContact O-N 3.14Å; S237-C239 PolarHBondContact O-N 3.37Å
238T93.1Very high95.1Very high34 Ų3444.7 Ų44.721%0.20923%0.229CC..SBendtrans-60.6136.5174.7-65.50000109.9N217 Y218 K235 Y293N217-T238 CarbonylContact C-O 3.55Å; N217-T238 WeakPolarHBondContact CA-O 3.25Å; N217-T238 WeakPolarHBondContact CB-O 3.17Å; Y218-T238 HydrophobicContact CD1-CG2 4.08Å; Y218-T238 VanDerWaalsContact CD1-O 3.25Å; Y218-T238 WeakPolarHBondContact CD1-O 3.44Å; Y218-T238 HydrophobicContact CE1-CG2 3.84Å; Y218-T238 PolarHBondContact N-O 2.73Å; K235-T238 WeakPolarHBondContact O-CB 3.18Å; K235-T238 PolarHBondContact O-N 2.03Å; K235-T238 PolarHBondContact O-OG1 3.1Å; T238-Y293 HydrophobicContact CG2-CD2 4.4Å; T238-Y293 HydrophobicContact CG2-CE2 3.69Å; T238-Y293 PolarHBondContact OG1-OH 2.78Å
239C91.8Very high95.1Very high35 Ų3542.2 Ų42.224%0.23622%0.223CC..BIsolated β-bridgetrans-61132.2176.1-66.90000111.2C200 Y216 Y218 S237C200-C239 HydrophobicContact CB-CB 3.76Å; C200-C239 WeakPolarHBondContact CB-SG 3.16Å; C200-C239 VanDerWaalsContact SG-CA 3.6Å; C200-C239 WeakPolarHBondContact SG-CB 3.29Å; C200-C239 CovalentContact SG-SG 2.03Å; C200-C239 PolarHBondContact SG-SG 2.95Å; Y216-C239 CarbonylContact O-C 3.53Å; Y216-C239 WeakPolarHBondContact O-CA 3.3Å; Y218-C239 WeakPolarHBondContact CE1-O 3.32Å; S237-C239 PolarHBondContact O-N 3.37Å
240S92.6Very high95.2Very high0 Ų042.2 Ų42.20%022%0.223CC..  trans-83.6175.2171.757.40000111.4D199 Q215 Y216 Y221D199-S240 WeakPolarHBondContact CB-O 2.83Å; D199-S240 PolarHBondContact N-O 3.23Å; D199-S240 PolarHBondContact OD2-OG 3.34Å; Q215-S240 PolarHBondContact O-OG 2.91Å; Y216-S240 WeakPolarHBondContact CA-OG 3.41Å; Y216-S240 PolarHBondContact O-N 3.47Å; Y216-S240 PolarHBondContact O-OG 3.15Å; Y221-S240 WeakPolarHBondContact CE2-OG 3.22Å
241F93.4Very high95.3Very high0 Ų037.9 Ų37.90%022%0.215CC..EExtended strand (participates in β ladder)trans-134.8158.216852.6-107.5000110.3F196 S197 L288 L289 F292 H296F196-F241 HydrophobicContact CB-CB 3.69Å; F196-F241 HydrophobicContact CB-CD1 4.15Å; F196-F241 HydrophobicContact CB-CD2 3.92Å; F196-F241 HydrophobicContact CB-CG 3.66Å; F196-F241 AromaticContact CD1-CD2 3.55Å; F196-F241 HydrophobicContact CD1-CD2 3.55Å; F196-F241 AromaticContact CD1-CE2 3.77Å; F196-F241 HydrophobicContact CD1-CE2 3.77Å; F196-F241 HydrophobicContact CD1-CG 4.2Å; F196-F241 HydrophobicContact CD2-CD1 4.21Å; F196-F241 HydrophobicContact CD2-CD2 4.08Å; F196-F241 HydrophobicContact CD2-CE1 4.06Å; F196-F241 AromaticContact CD2-CE2 3.94Å; F196-F241 HydrophobicContact CD2-CE2 3.94Å; F196-F241 HydrophobicContact CD2-CG 4.22Å; F196-F241 AromaticContact CD2-CZ 3.93Å; F196-F241 HydrophobicContact CD2-CZ 3.93Å; F196-F241 HydrophobicContact CE1-CD2 4.06Å; F196-F241 AromaticContact CE1-CE2 3.82Å; F196-F241 HydrophobicContact CE1-CE2 3.82Å; F196-F241 HydrophobicContact CE2-CE1 4.43Å; F196-F241 AromaticContact CE2-CE2 3.97Å; F196-F241 HydrophobicContact CE2-CE2 3.97Å; F196-F241 AromaticContact CE2-CZ 3.92Å; F196-F241 HydrophobicContact CE2-CZ 3.92Å; F196-F241 HydrophobicContact CG-CB 4.33Å; F196-F241 HydrophobicContact CG-CD1 4.21Å; F196-F241 AromaticContact CG-CD2 3.58Å; F196-F241 HydrophobicContact CG-CD2 3.58Å; F196-F241 HydrophobicContact CG-CE1 4.44Å; F196-F241 AromaticContact CG-CE2 3.86Å; F196-F241 HydrophobicContact CG-CE2 3.86Å; F196-F241 AromaticContact CG-CG 3.79Å; F196-F241 HydrophobicContact CG-CG 3.79Å; F196-F241 HydrophobicContact CG-CZ 4.28Å; F196-F241 AromaticContact CZ-CE2 3.93Å; F196-F241 HydrophobicContact CZ-CE2 3.93Å; F196-F241 HydrophobicContact CZ-CZ 4.26Å; S197-F241 WeakPolarHBondContact O-CB 3Å; F241-L288 HydrophobicContact CE2-CB 4.09Å; F241-L288 HydrophobicContact CZ-CB 4.37Å; F241-L289 HydrophobicContact CD1-CD2 3.89Å; F241-L289 HydrophobicContact CD2-CD2 4.07Å; F241-L289 HydrophobicContact CE1-CD2 3.73Å; F241-L289 HydrophobicContact CE2-CD2 3.91Å; F241-L289 HydrophobicContact CG-CD2 4.05Å; F241-L289 HydrophobicContact CZ-CD2 3.73Å; F241-F292 HydrophobicContact CE1-CB 4.18Å; F241-F292 HydrophobicContact CZ-CB 3.91Å; F241-H296 AromaticContact CD1-CE1 3.86Å; F241-H296 AromaticContact CD1-NE2 3.71Å; F241-H296 AromaticContact CE1-CE1 3.83Å; F241-H296 AromaticContact CE1-ND1 3.96Å
242N90.9Very high95.3Very high18 Ų1832 Ų3210%0.09619%0.19CC..EExtended strand (participates in β ladder)trans-81.3132.1168.3-161.8-108.2000111.6D199 G244 N304 R306 H328D199-N242 PolarHBondContact OD1-N 3.05Å; N242-G244 VanDerWaalsContact C-N 3.33Å; N242-G244 VanDerWaalsContact OD1-CA 3.26Å; N242-G244 WeakPolarHBondContact OD1-CA 3.44Å; N242-G244 PolarHBondContact OD1-N 3.36Å; N242-N304 WeakPolarHBondContact CB-ND2 3.21Å; N242-R306 VanDerWaalsContact CB-CD 3.42Å; N242-R306 PolarHBondContact ND2-NH1 3.01Å; N242-H328 PolarHBondContact OD1-CE1 3.41Å
243P91.9Very high95.4Very high6 Ų629.3 Ų29.34%0.03918%0.175CC..EExtended strand (participates in β ladder)trans-90.78.817537.5-37.5000114.2F246 T285 L288P243-F246 WeakPolarHBondContact O-CD1 3.46Å; P243-T285 HydrophobicContact CG-CG2 4.33Å; P243-L288 HydrophobicContact CB-CD1 3.18Å; P243-L288 HydrophobicContact CG-CD1 4.03Å
244G93.7Very high95.5Very high0 Ų029.3 Ų29.30%016%0.162CC..EExtended strand (participates in β ladder)trans-82.8-13.5-179.200000114.2M170 D171 N242M170-G244 CarbonylContact C-O 3.55Å; M170-G244 VanDerWaalsContact CA-O 3.27Å; M170-G244 WeakPolarHBondContact CA-O 3.21Å; D171-G244 VanDerWaalsContact CG-CA 3.45Å; D171-G244 PolarHBondContact N-O 2.88Å; D171-G244 WeakPolarHBondContact OD2-CA 3.45Å; N242-G244 VanDerWaalsContact C-N 3.33Å; N242-G244 VanDerWaalsContact OD1-CA 3.26Å; N242-G244 WeakPolarHBondContact OD1-CA 3.44Å; N242-G244 PolarHBondContact OD1-N 3.36Å
245V96.8Very high95.6Very high1 Ų136.6 Ų36.61%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-142.7120.1169.1-178.40000108.8Y169 M170 V174 L183 L326Y169-V245 WeakPolarHBondContact O-CA 3.47Å; M170-V245 HydrophobicContact CE-CG1 4.2Å; V174-V245 HydrophobicContact CG1-CG2 4.03Å; L183-V245 HydrophobicContact CD2-CG1 4.08Å; V245-L326 HydrophobicContact CG1-CD1 4Å; V245-L326 HydrophobicContact CG2-CD1 3.9Å; V245-L326 HydrophobicContact CG2-CD2 4.04Å
246F98.6Very high95.8Very high0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-156.8160176.268.1-86.6000113.1R154 L157 I168 Y169 A194 A195 F196 P243 A248 W253R154-F246 HydrophobicContact CB-CE1 3.93Å; R154-F246 HydrophobicContact CB-CZ 4.08Å; L157-F246 HydrophobicContact CD1-CE2 3.61Å; L157-F246 HydrophobicContact CD1-CZ 3.65Å; I168-F246 WeakPolarHBondContact CA-O 3.45Å; Y169-F246 VanDerWaalsContact CB-CE1 3.48Å; Y169-F246 AromaticContact CD1-CD1 3.73Å; Y169-F246 HydrophobicContact CD1-CD1 3.73Å; Y169-F246 AromaticContact CD1-CE1 3.31Å; Y169-F246 HydrophobicContact CD1-CE1 3.31Å; Y169-F246 HydrophobicContact CD1-CZ 4.21Å; Y169-F246 HydrophobicContact CE1-CE1 4.26Å; Y169-F246 HydrophobicContact CG-CD1 4.17Å; Y169-F246 AromaticContact CG-CE1 3.53Å; Y169-F246 HydrophobicContact CG-CE1 3.53Å; Y169-F246 AromaticContact CG-CZ 3.99Å; Y169-F246 HydrophobicContact CG-CZ 3.99Å; Y169-F246 PolarHBondContact N-O 3.37Å; Y169-F246 PolarHBondContact O-N 3.3Å; A194-F246 HydrophobicContact CB-CD2 4.29Å; A195-F246 WeakPolarHBondContact O-CA 3.16Å; A195-F246 VanDerWaalsContact O-CB 3.22Å; A195-F246 WeakPolarHBondContact O-CB 3.32Å; F196-F246 HydrophobicContact CD1-CB 3.37Å; F196-F246 HydrophobicContact CD1-CD1 4.42Å; F196-F246 HydrophobicContact CD1-CG 4Å; F196-F246 HydrophobicContact CE1-CB 3.37Å; F196-F246 AromaticContact CE1-CD1 3.78Å; F196-F246 HydrophobicContact CE1-CD1 3.78Å; F196-F246 AromaticContact CE1-CD2 3.92Å; F196-F246 HydrophobicContact CE1-CD2 3.92Å; F196-F246 HydrophobicContact CE1-CE1 4.47Å; F196-F246 AromaticContact CE1-CG 3.45Å; F196-F246 HydrophobicContact CE1-CG 3.45Å; F196-F246 VanDerWaalsContact CE1-CG 3.45Å; F196-F246 HydrophobicContact CG-CB 4.22Å; F196-F246 HydrophobicContact CZ-CB 4.22Å; F196-F246 HydrophobicContact CZ-CD2 4.14Å; F196-F246 HydrophobicContact CZ-CG 4.14Å; P243-F246 WeakPolarHBondContact O-CD1 3.46Å; F246-A248 HydrophobicContact CD2-CB 4.19Å; F246-A248 HydrophobicContact CE2-CB 3.92Å; F246-W253 HydrophobicContact CE2-CH2 4.14Å; F246-W253 AromaticContact CE2-CZ3 3.82Å; F246-W253 HydrophobicContact CE2-CZ3 3.82Å; F246-W253 HydrophobicContact CZ-CH2 4.37Å; F246-W253 HydrophobicContact CZ-CZ3 4.5Å
247V98.8Very high96.1Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-104.5125.4175.1179.70000108K166 I168 L183 A194 A195 I299K166-V247 HydrophobicContact CD-CG1 4.31Å; K166-V247 HydrophobicContact CG-CG1 4.2Å; I168-V247 HydrophobicContact CG1-CG2 4.42Å; L183-V247 HydrophobicContact CD1-CG2 3.89Å; L183-V247 HydrophobicContact CG-CG2 4.02Å; L183-V247 WeakPolarHBondContact O-CG2 3.26Å; A194-V247 CarbonylContact C-O 3.53Å; A194-V247 WeakPolarHBondContact CA-O 3.42Å; A195-V247 HydrophobicContact CB-CB 4.49Å; A195-V247 PolarHBondContact N-O 3.12Å; A195-V247 PolarHBondContact O-N 3.36Å; A195-V247 VanDerWaalsContact O-N 3.13Å; V247-I299 HydrophobicContact CG2-CD1 4.05Å
248A98.8Very high96.5Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-111.2127.6-178.700000110.9L157 K166 A167 A193 F246 L250 W253L157-A248 HydrophobicContact CD1-CB 3.73Å; K166-A248 CarbonylContact C-O 3.59Å; K166-A248 WeakPolarHBondContact CA-O 3.25Å; K166-A248 WeakPolarHBondContact CG-O 3.45Å; A167-A248 PolarHBondContact N-O 2.6Å; A167-A248 PolarHBondContact O-N 3.03Å; A193-A248 CarbonylContact O-C 3.41Å; A193-A248 WeakPolarHBondContact O-CA 3.07Å; F246-A248 HydrophobicContact CD2-CB 4.19Å; F246-A248 HydrophobicContact CE2-CB 3.92Å; A248-L250 HydrophobicContact CB-CD2 3.9Å; A248-L250 HydrophobicContact CB-CG 4.49Å; A248-L250 PolarHBondContact O-N 3.2Å; A248-W253 HydrophobicContact CB-CE3 4.17Å; A248-W253 HydrophobicContact CB-CZ3 4.33Å
249N98.6Very high96.7Very high45 Ų4529.2 Ų29.224%0.24114%0.142CC..EExtended strand (participates in β ladder)trans-85.3100.4161.3179.6-18.1000108.1K165 L188 A193 T251 E252 W253K165-N249 CarbonylContact O-C 3.59Å; K165-N249 PolarHBondContact O-OD1 3.23Å; L188-N249 HydrophobicContact CD1-CB 3.51Å; A193-N249 PolarHBondContact O-N 3.15Å; N249-T251 VanDerWaalsContact C-N 3.31Å; N249-T251 PolarHBondContact O-N 3.11Å; N249-T251 WeakPolarHBondContact OD1-CB 3.47Å; N249-T251 PolarHBondContact OD1-N 2.66Å; N249-T251 VanDerWaalsContact OD1-N 3.16Å; N249-E252 HydrophobicContact CB-CB 4.02Å; N249-E252 PolarHBondContact O-N 2.89Å; N249-E252 PolarHBondContact OD1-N 2.88Å; N249-W253 VanDerWaalsContact O-CB 3.28Å; N249-W253 WeakPolarHBondContact O-CB 3.42Å; N249-W253 PolarHBondContact O-N 2.9Å
250L98.6Very high97.1Very high0 Ų031.6 Ų31.60%015%0.153CC..Hα-helixtrans-73.4-24.4-175-60.1177000112.8L157 P158 V161 A164 K165 A167 A248 K254L157-L250 HydrophobicContact CB-CD2 3.59Å; L157-L250 HydrophobicContact CD1-CD2 4.29Å; P158-L250 HydrophobicContact CG-CD2 4.29Å; V161-L250 HydrophobicContact CG2-CD1 3.46Å; V161-L250 VanDerWaalsContact CG2-CD1 3.46Å; A164-L250 HydrophobicContact CB-CD1 3.68Å; A164-L250 WeakPolarHBondContact O-CB 3.29Å; A164-L250 WeakPolarHBondContact O-CD1 3.3Å; K165-L250 PolarHBondContact O-N 3.19Å; A167-L250 HydrophobicContact CB-CD1 3.82Å; A167-L250 HydrophobicContact CB-CG 4.39Å; A248-L250 HydrophobicContact CB-CD2 3.9Å; A248-L250 HydrophobicContact CB-CG 4.49Å; A248-L250 PolarHBondContact O-N 3.2Å; L250-K254 WeakPolarHBondContact O-CB 3.36Å; L250-K254 WeakPolarHBondContact O-CE 3.44Å; L250-K254 VanDerWaalsContact O-CG 3.28Å; L250-K254 WeakPolarHBondContact O-CG 3.26Å; L250-K254 PolarHBondContact O-N 3.12Å
251T98.2Very high97.3Very high72 Ų7235.1 Ų35.144%0.44217%0.169SC..Hα-helixtrans-62.1-50.8169.6-57.20000109.8K165 N249 K254 R255K165-T251 PolarHBondContact O-N 3.12Å; N249-T251 VanDerWaalsContact C-N 3.31Å; N249-T251 PolarHBondContact O-N 3.11Å; N249-T251 WeakPolarHBondContact OD1-CB 3.47Å; N249-T251 PolarHBondContact OD1-N 2.66Å; N249-T251 VanDerWaalsContact OD1-N 3.16Å; T251-K254 PolarHBondContact O-N 3.27Å; T251-R255 WeakPolarHBondContact O-CB 3.38Å; T251-R255 PolarHBondContact O-N 2.84Å
252E98.5Very high97.6Very high22 Ų2235.1 Ų35.110%0.10317%0.169CC..Hα-helixtrans-70.4-38.3-178.8-171.357.2-157.700112.1A193 N249 K254 R255 Q256A193-E252 HydrophobicContact CB-CB 4.17Å; A193-E252 HydrophobicContact CB-CG 3.94Å; N249-E252 HydrophobicContact CB-CB 4.02Å; N249-E252 PolarHBondContact O-N 2.89Å; N249-E252 PolarHBondContact OD1-N 2.88Å; E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 3.19Å; E252-R255 VanDerWaalsContact CD-NE 3.28Å; E252-R255 PolarHBondContact O-N 2.92Å; E252-R255 IonicContact OE1-CZ 3.2Å; E252-R255 IonicContact OE1-NE 3.02Å; E252-R255 PolarHBondContact OE1-NE 2.9Å; E252-R255 IonicContact OE1-NH2 3.46Å; E252-R255 PolarHBondContact OE1-NH2 3.18Å; E252-R255 IonicContact OE2-CZ 3.78Å; E252-R255 IonicContact OE2-NE 2.84Å; E252-R255 PolarHBondContact OE2-NE 2.76Å; E252-R255 IonicContact OE2-NH2 2.9Å; E252-Q256 PolarHBondContact O-N 2.63Å; E252-Q256 WeakPolarHBondContact OE1-CG 3.43Å; E252-Q256 PolarHBondContact OE1-NE2 3.33Å
253W98.7Very high97.9Very high2 Ų235.5 Ų35.51%0.00817%0.17CC..Hα-helixtrans-57.5-44.1173.8-166.8-65.7000112.1P158 A193 A194 F246 A248 N249 N257 I258 T259 L262 L288 F292P158-W253 HydrophobicContact CG-CB 4.41Å; P158-W253 HydrophobicContact CG-CG 3.92Å; A193-W253 HydrophobicContact CB-CB 4.21Å; A193-W253 HydrophobicContact CB-CE3 4.43Å; A194-W253 HydrophobicContact CB-CZ3 4.31Å; F246-W253 HydrophobicContact CE2-CH2 4.14Å; F246-W253 AromaticContact CE2-CZ3 3.82Å; F246-W253 HydrophobicContact CE2-CZ3 3.82Å; F246-W253 HydrophobicContact CZ-CH2 4.37Å; F246-W253 HydrophobicContact CZ-CZ3 4.5Å; A248-W253 HydrophobicContact CB-CE3 4.17Å; A248-W253 HydrophobicContact CB-CZ3 4.33Å; N249-W253 VanDerWaalsContact O-CB 3.28Å; N249-W253 WeakPolarHBondContact O-CB 3.42Å; N249-W253 PolarHBondContact O-N 2.9Å; W253-N257 PolarHBondContact O-N 2.81Å; W253-I258 HydrophobicContact CB-CG1 4.48Å; W253-I258 HydrophobicContact CD2-CB 3.85Å; W253-I258 HydrophobicContact CD2-CG1 4.32Å; W253-I258 HydrophobicContact CD2-CG2 3.71Å; W253-I258 HydrophobicContact CE3-CG2 4.2Å; W253-I258 HydrophobicContact CG-CB 3.8Å; W253-I258 HydrophobicContact CG-CG1 4.13Å; W253-I258 HydrophobicContact CG-CG2 4.22Å; W253-I258 HydrophobicContact CH2-CG2 4.01Å; W253-I258 HydrophobicContact CZ2-CB 4.37Å; W253-I258 HydrophobicContact CZ2-CG2 3.49Å; W253-I258 VanDerWaalsContact CZ2-CG2 3.49Å; W253-I258 HydrophobicContact CZ3-CG2 4.35Å; W253-I258 PolarHBondContact O-N 3.06Å; W253-T259 PolarHBondContact NE1-OG1 3.06Å; W253-L262 HydrophobicContact CH2-CD1 4.28Å; W253-L262 HydrophobicContact CZ2-CD1 3.7Å; W253-L288 HydrophobicContact CH2-CD2 4.41Å; W253-F292 AromaticContact CE3-CZ 3.85Å; W253-F292 HydrophobicContact CE3-CZ 3.85Å; W253-F292 AromaticContact CH2-CE2 3.92Å; W253-F292 HydrophobicContact CH2-CE2 3.92Å; W253-F292 AromaticContact CH2-CZ 3.84Å; W253-F292 HydrophobicContact CH2-CZ 3.84Å; W253-F292 HydrophobicContact CZ3-CE1 4.47Å; W253-F292 AromaticContact CZ3-CE2 3.94Å; W253-F292 HydrophobicContact CZ3-CE2 3.94Å; W253-F292 AromaticContact CZ3-CZ 3.41Å; W253-F292 HydrophobicContact CZ3-CZ 3.41Å; W253-F292 VanDerWaalsContact CZ3-CZ 3.41Å
254K98.6Very high98.2Very high103 Ų10341.4 Ų41.445%0.44820%0.195SC..Hα-helixtrans-67-47174.3-76.3-178.9-74.5-169.20111.2P158 P162 L250 T251 E252 Q256 N257P158-K254 HydrophobicContact CB-CD 4.06Å; P158-K254 HydrophobicContact CB-CG 3.67Å; P158-K254 HydrophobicContact CG-CG 4.11Å; P162-K254 PolarHBondContact O-NZ 3.38Å; L250-K254 WeakPolarHBondContact O-CB 3.36Å; L250-K254 WeakPolarHBondContact O-CE 3.44Å; L250-K254 VanDerWaalsContact O-CG 3.28Å; L250-K254 WeakPolarHBondContact O-CG 3.26Å; L250-K254 PolarHBondContact O-N 3.12Å; T251-K254 PolarHBondContact O-N 3.27Å; E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 3.19Å; K254-Q256 VanDerWaalsContact C-N 3.29Å; K254-Q256 PolarHBondContact O-N 3.22Å; K254-N257 PolarHBondContact O-N 3.27Å
255R98.4Very high98.5Very high167 Ų16742.6 Ų42.663%0.6320%0.2SC*.Hα-helixtrans-56.8-41.5-179.3-168.1-167.272.475.9-2.4112.4T251 E252T251-R255 WeakPolarHBondContact O-CB 3.38Å; T251-R255 PolarHBondContact O-N 2.84Å; E252-R255 VanDerWaalsContact CD-NE 3.28Å; E252-R255 PolarHBondContact O-N 2.92Å; E252-R255 IonicContact OE1-CZ 3.2Å; E252-R255 IonicContact OE1-NE 3.02Å; E252-R255 PolarHBondContact OE1-NE 2.9Å; E252-R255 IonicContact OE1-NH2 3.46Å; E252-R255 PolarHBondContact OE1-NH2 3.18Å; E252-R255 IonicContact OE2-CZ 3.78Å; E252-R255 IonicContact OE2-NE 2.84Å; E252-R255 PolarHBondContact OE2-NE 2.76Å; E252-R255 IonicContact OE2-NH2 2.9Å
256Q98.5Very high98.4Very high49 Ų4942.9 Ų42.923%0.22920%0.201CC..THydrogen-bonded Turntrans-88.2-2.3179.4-66.3-17252.400113.9G191 E252 K254 I258 Q261G191-Q256 PolarHBondContact O-NE2 3.25Å; E252-Q256 PolarHBondContact O-N 2.63Å; E252-Q256 WeakPolarHBondContact OE1-CG 3.43Å; E252-Q256 PolarHBondContact OE1-NE2 3.33Å; K254-Q256 VanDerWaalsContact C-N 3.29Å; K254-Q256 PolarHBondContact O-N 3.22Å; Q256-I258 VanDerWaalsContact C-N 3.28Å; Q256-I258 HydrophobicContact CB-CD1 3.83Å; Q256-I258 HydrophobicContact CB-CG1 3.95Å; Q256-I258 PolarHBondContact O-N 2.93Å; Q256-Q261 PolarHBondContact O-NE2 2.6Å
257N98.4Very high98.3Very high79 Ų7947.2 Ų47.242%0.42222%0.22SC..THydrogen-bonded Turntrans54.342.3-177-160.712.2000113.5W253 K254 T259 N260 Q261W253-N257 PolarHBondContact O-N 2.81Å; K254-N257 PolarHBondContact O-N 3.27Å; N257-T259 VanDerWaalsContact C-N 3.29Å; N257-T259 PolarHBondContact O-N 2.8Å; N257-N260 PolarHBondContact ND2-ND2 3.06Å; N257-N260 PolarHBondContact O-N 3.33Å; N257-N260 WeakPolarHBondContact OD1-CB 3.37Å; N257-N260 PolarHBondContact OD1-ND2 2.85Å; N257-N260 PolarHBondContact OD1-OD1 3.48Å; N257-Q261 PolarHBondContact O-N 3.45Å
258I98.8Very high98.2Very high2 Ų248.1 Ų48.11%0.0123%0.225CC..Hα-helixtrans-57.8-40.2-173.9-64.2-64.2000111.6A193 W253 Q256 N260 Q261 L262 V291 F292A193-I258 HydrophobicContact CB-CD1 4.48Å; A193-I258 HydrophobicContact CB-CG1 4.04Å; W253-I258 HydrophobicContact CB-CG1 4.48Å; W253-I258 HydrophobicContact CD2-CB 3.85Å; W253-I258 HydrophobicContact CD2-CG1 4.32Å; W253-I258 HydrophobicContact CD2-CG2 3.71Å; W253-I258 HydrophobicContact CE3-CG2 4.2Å; W253-I258 HydrophobicContact CG-CB 3.8Å; W253-I258 HydrophobicContact CG-CG1 4.13Å; W253-I258 HydrophobicContact CG-CG2 4.22Å; W253-I258 HydrophobicContact CH2-CG2 4.01Å; W253-I258 HydrophobicContact CZ2-CB 4.37Å; W253-I258 HydrophobicContact CZ2-CG2 3.49Å; W253-I258 VanDerWaalsContact CZ2-CG2 3.49Å; W253-I258 HydrophobicContact CZ3-CG2 4.35Å; W253-I258 PolarHBondContact O-N 3.06Å; Q256-I258 VanDerWaalsContact C-N 3.28Å; Q256-I258 HydrophobicContact CB-CD1 3.83Å; Q256-I258 HydrophobicContact CB-CG1 3.95Å; Q256-I258 PolarHBondContact O-N 2.93Å; I258-N260 VanDerWaalsContact C-N 3.34Å; I258-N260 PolarHBondContact O-N 3.01Å; I258-Q261 WeakPolarHBondContact O-CB 3.33Å; I258-Q261 PolarHBondContact O-N 3.24Å; I258-Q261 VanDerWaalsContact O-N 3.08Å; I258-L262 HydrophobicContact CG2-CD1 3.95Å; I258-L262 HydrophobicContact CG2-CG 4.24Å; I258-L262 WeakPolarHBondContact O-CG 3.23Å; I258-L262 PolarHBondContact O-N 3.5Å; I258-V291 HydrophobicContact CD1-CG1 3.75Å; I258-V291 HydrophobicContact CG2-CG1 3.92Å; I258-F292 HydrophobicContact CG2-CE2 3.98Å; I258-F292 HydrophobicContact CG2-CZ 3.72Å
259T98.6Very high98.1Very high13 Ų1349.4 Ų49.48%0.0823%0.232CC..Hα-helixtrans-56.2-46.8178.2-62.50000111.6F155 Y156 W253 N257 Q261 L262 E263F155-T259 WeakPolarHBondContact O-CG2 3.16Å; F155-T259 PolarHBondContact O-OG1 3.32Å; Y156-T259 HydrophobicContact CD1-CG2 3.69Å; Y156-T259 HydrophobicContact CE1-CG2 3.79Å; W253-T259 PolarHBondContact NE1-OG1 3.06Å; N257-T259 VanDerWaalsContact C-N 3.29Å; N257-T259 PolarHBondContact O-N 2.8Å; T259-Q261 VanDerWaalsContact C-N 3.3Å; T259-Q261 PolarHBondContact O-N 3.04Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 PolarHBondContact O-N 3.25Å; T259-E263 WeakPolarHBondContact O-CG 3.47Å; T259-E263 PolarHBondContact O-N 3.34Å
260N98.6Very high97.8Very high85 Ų8549.3 Ų49.346%0.45523%0.232SC..Hα-helixtrans-66.8-32.1178.4-69.28.7000112.5N257 I258 K264N257-N260 PolarHBondContact ND2-ND2 3.06Å; N257-N260 PolarHBondContact O-N 3.33Å; N257-N260 WeakPolarHBondContact OD1-CB 3.37Å; N257-N260 PolarHBondContact OD1-ND2 2.85Å; N257-N260 PolarHBondContact OD1-OD1 3.48Å; I258-N260 VanDerWaalsContact C-N 3.34Å; I258-N260 PolarHBondContact O-N 3.01Å; N260-K264 WeakPolarHBondContact O-CB 3.34Å; N260-K264 PolarHBondContact O-N 2.73Å
261Q98.8Very high97.6Very high73 Ų7355.9 Ų55.934%0.34126%0.263SS..Hα-helixtrans-65.9-42.5174.1-60.3-17549.200111.4Q256 N257 I258 T259 K264 W265 V291Q256-Q261 PolarHBondContact O-NE2 2.6Å; N257-Q261 PolarHBondContact O-N 3.45Å; I258-Q261 WeakPolarHBondContact O-CB 3.33Å; I258-Q261 PolarHBondContact O-N 3.24Å; I258-Q261 VanDerWaalsContact O-N 3.08Å; T259-Q261 VanDerWaalsContact C-N 3.3Å; T259-Q261 PolarHBondContact O-N 3.04Å; Q261-K264 WeakPolarHBondContact O-CB 3.3Å; Q261-K264 PolarHBondContact O-N 3.25Å; Q261-W265 PolarHBondContact O-N 2.97Å; Q261-V291 HydrophobicContact CB-CG1 4.22Å; Q261-V291 HydrophobicContact CB-CG2 3.78Å
262L98.6Very high97.4Very high0 Ų055.5 Ų55.50%026%0.256CS..Hα-helixtrans-62-47.2175.2-64.7169.8000110.9F155 W253 I258 T259 K264 W265 M266 P287 L288 V291F155-L262 HydrophobicContact CB-CD1 3.91Å; F155-L262 HydrophobicContact CD1-CD1 3.88Å; F155-L262 HydrophobicContact CD2-CB 4.02Å; F155-L262 HydrophobicContact CD2-CD1 4.42Å; F155-L262 HydrophobicContact CE2-CB 4.4Å; F155-L262 HydrophobicContact CG-CB 4.26Å; F155-L262 HydrophobicContact CG-CD1 3.83Å; W253-L262 HydrophobicContact CH2-CD1 4.28Å; W253-L262 HydrophobicContact CZ2-CD1 3.7Å; I258-L262 HydrophobicContact CG2-CD1 3.95Å; I258-L262 HydrophobicContact CG2-CG 4.24Å; I258-L262 WeakPolarHBondContact O-CG 3.23Å; I258-L262 PolarHBondContact O-N 3.5Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 PolarHBondContact O-N 3.25Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.61Å; L262-W265 PolarHBondContact O-N 3.36Å; L262-W265 VanDerWaalsContact O-N 3.11Å; L262-M266 WeakPolarHBondContact O-CG 2.94Å; L262-M266 PolarHBondContact O-N 3.22Å; L262-P287 HydrophobicContact CD2-CB 3.81Å; L262-P287 WeakPolarHBondContact CD2-O 2.97Å; L262-L288 HydrophobicContact CD1-CD2 3.9Å; L262-L288 HydrophobicContact CD2-CD2 3.71Å; L262-L288 HydrophobicContact CD2-CG 4.08Å; L262-L288 HydrophobicContact CG-CD2 4.49Å; L262-V291 HydrophobicContact CD2-CB 3.92Å; L262-V291 HydrophobicContact CD2-CG1 4.42Å; L262-V291 HydrophobicContact CD2-CG2 3.73Å; L262-V291 HydrophobicContact CG-CG2 4.26Å
263E98.2Very high97.1Very high27 Ų2755.1 Ų55.113%0.12626%0.258CS..Hα-helixtrans-60-39.2176.7-69.6-163.5158.500113.1K136 Y156 T259 W265 M266 K267K136-E263 HydrophobicContact CD-CB 4.24Å; K136-E263 HydrophobicContact CD-CG 4.07Å; K136-E263 WeakPolarHBondContact CE-OE2 3.28Å; K136-E263 IonicContact NZ-OE1 2.76Å; K136-E263 PolarHBondContact NZ-OE1 2.68Å; K136-E263 IonicContact NZ-OE2 3.69Å; K136-E263 PolarHBondContact NZ-OE2 3.17Å; Y156-E263 HydrophobicContact CE1-CG 4.46Å; Y156-E263 WeakPolarHBondContact CE1-OE1 3.46Å; Y156-E263 PolarHBondContact OH-OE1 3.4Å; T259-E263 WeakPolarHBondContact O-CG 3.47Å; T259-E263 PolarHBondContact O-N 3.34Å; E263-W265 VanDerWaalsContact C-N 3.3Å; E263-W265 PolarHBondContact O-N 3.41Å; E263-M266 WeakPolarHBondContact O-CB 3.23Å; E263-M266 PolarHBondContact O-N 3.06Å; E263-K267 WeakPolarHBondContact O-CG 3.47Å; E263-K267 PolarHBondContact O-N 2.74Å
264K98.4Very high96.9Very high130 Ų13055 Ų5557%0.56526%0.258SS*.Hα-helixtrans-57.2-45.9174.6176.2-177176.8-179.90110.8N260 Q261 L262 K267 L268N260-K264 WeakPolarHBondContact O-CB 3.34Å; N260-K264 PolarHBondContact O-N 2.73Å; Q261-K264 WeakPolarHBondContact O-CB 3.3Å; Q261-K264 PolarHBondContact O-N 3.25Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.61Å; K264-K267 PolarHBondContact O-N 2.75Å; K264-L268 HydrophobicContact CG-CD1 3.98Å; K264-L268 WeakPolarHBondContact O-CB 3.4Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.39Å; K264-L268 PolarHBondContact O-N 2.76Å
265W98Very high96.6Very high25 Ų2551 Ų5110%0.09524%0.24CC..Hα-helixtrans-67.8-35.6178.8-77.7113.3000113R228 L232 Q261 L262 E263 L268 N269 L274 Y275 P287 I290R228-W265 HydrophobicContact CG-CH2 4.3Å; R228-W265 HydrophobicContact CG-CZ3 4.24Å; L232-W265 HydrophobicContact CD1-CH2 3.54Å; L232-W265 HydrophobicContact CD1-CZ2 3.97Å; L232-W265 HydrophobicContact CD1-CZ3 4.24Å; L232-W265 HydrophobicContact CD2-CH2 3.77Å; L232-W265 HydrophobicContact CD2-CZ2 3.78Å; L232-W265 HydrophobicContact CG-CH2 4.09Å; L232-W265 HydrophobicContact CG-CZ2 4.47Å; Q261-W265 PolarHBondContact O-N 2.97Å; L262-W265 PolarHBondContact O-N 3.36Å; L262-W265 VanDerWaalsContact O-N 3.11Å; E263-W265 VanDerWaalsContact C-N 3.3Å; E263-W265 PolarHBondContact O-N 3.41Å; W265-L268 HydrophobicContact CE3-CD1 4.07Å; W265-L268 HydrophobicContact CZ3-CD1 4.16Å; W265-N269 WeakPolarHBondContact O-CB 3.45Å; W265-N269 PolarHBondContact O-N 3.03Å; W265-L274 HydrophobicContact CE3-CD1 4.05Å; W265-L274 HydrophobicContact CZ3-CD1 3.88Å; W265-Y275 VanDerWaalsContact C-OH 3.24Å; W265-Y275 WeakPolarHBondContact CB-OH 3.46Å; W265-Y275 PolarHBondContact O-OH 2.75Å; W265-P287 HydrophobicContact CB-CB 4.07Å; W265-I290 HydrophobicContact CD2-CB 4.44Å; W265-I290 HydrophobicContact CD2-CD1 3.68Å; W265-I290 HydrophobicContact CD2-CG2 4.02Å; W265-I290 HydrophobicContact CE3-CD1 3.64Å; W265-I290 HydrophobicContact CG-CD1 4.13Å; W265-I290 HydrophobicContact CG-CG2 4.47Å; W265-I290 HydrophobicContact CH2-CG2 4.26Å; W265-I290 HydrophobicContact CZ2-CG2 3.48Å; W265-I290 VanDerWaalsContact CZ2-CG2 3.48Å; W265-I290 HydrophobicContact CZ3-CD1 4.07Å; W265-I290 VanDerWaalsContact NE1-CG2 3.35Å
266M96.4Very high96.1Very high6 Ų644.3 Ų44.33%0.0322%0.219CC..Hα-helixtrans-59.5-51.5172.8-67.8168.86800111.5L133 K136 V137 F152 F155 L262 E263 L268 N269 V270 P287L133-M266 HydrophobicContact CD2-CE 3.92Å; K136-M266 HydrophobicContact CB-CB 4.06Å; K136-M266 HydrophobicContact CB-CE 3.75Å; K136-M266 CarbonylContact O-C 3.56Å; K136-M266 WeakPolarHBondContact O-CB 3.5Å; V137-M266 HydrophobicContact CG2-CE 3.65Å; F152-M266 HydrophobicContact CD1-CE 3.51Å; F152-M266 HydrophobicContact CD1-SD 4.22Å; F152-M266 HydrophobicContact CE1-CE 3.55Å; F152-M266 HydrophobicContact CE1-SD 4.4Å; F152-M266 HydrophobicContact CG-CE 4.37Å; F152-M266 HydrophobicContact CZ-CE 4.43Å; F155-M266 HydrophobicContact CD2-CG 4.46Å; F155-M266 HydrophobicContact CD2-SD 3.46Å; F155-M266 WeakPolarHBondContact CD2-SD 3.41Å; F155-M266 HydrophobicContact CE2-CG 3.93Å; F155-M266 HydrophobicContact CE2-SD 3.49Å; F155-M266 WeakPolarHBondContact CE2-SD 3.39Å; L262-M266 WeakPolarHBondContact O-CG 2.94Å; L262-M266 PolarHBondContact O-N 3.22Å; E263-M266 WeakPolarHBondContact O-CB 3.23Å; E263-M266 PolarHBondContact O-N 3.06Å; M266-L268 PolarHBondContact O-N 2.93Å; M266-N269 WeakPolarHBondContact O-CB 3.47Å; M266-N269 PolarHBondContact O-N 3.23Å; M266-N269 VanDerWaalsContact O-N 3.15Å; M266-V270 PolarHBondContact O-N 3.27Å; M266-V270 VanDerWaalsContact O-N 3.09Å; M266-P287 HydrophobicContact CG-CG 4.23Å
267K96.8Very high95.2Very high92 Ų9252.4 Ų52.440%0.425%0.248SC..Hα-helixtrans-59.5-47.4177.4-68.5178.5-178.7-176.20112.4K136 E263 K264 N269 V270 E271K136-K267 HydrophobicContact CB-CG 4.3Å; K136-K267 HydrophobicContact CG-CD 4.43Å; K136-K267 HydrophobicContact CG-CG 3.83Å; E263-K267 WeakPolarHBondContact O-CG 3.47Å; E263-K267 PolarHBondContact O-N 2.74Å; K264-K267 PolarHBondContact O-N 2.75Å; K267-N269 PolarHBondContact O-N 3.45Å; K267-V270 WeakPolarHBondContact O-CA 3.43Å; K267-V270 VanDerWaalsContact O-CB 3.3Å; K267-V270 WeakPolarHBondContact O-CB 3.37Å; K267-V270 PolarHBondContact O-N 3.02Å; K267-E271 PolarHBondContact O-N 2.93Å
268L96.8Very high94.1Very high19 Ų1953.3 Ų53.310%0.09926%0.256CS..Hα-helixtrans-60.8-33.1177.4-72.4170.2000112.4K264 W265 M266 E271 E272 L274K264-L268 HydrophobicContact CG-CD1 3.98Å; K264-L268 WeakPolarHBondContact O-CB 3.4Å; K264-L268 VanDerWaalsContact O-CG 3.28Å; K264-L268 WeakPolarHBondContact O-CG 3.39Å; K264-L268 PolarHBondContact O-N 2.76Å; W265-L268 HydrophobicContact CE3-CD1 4.07Å; W265-L268 HydrophobicContact CZ3-CD1 4.16Å; M266-L268 PolarHBondContact O-N 2.93Å; L268-E271 PolarHBondContact O-N 2.75Å; L268-E272 WeakPolarHBondContact O-CB 3.33Å; L268-E272 PolarHBondContact O-N 2.81Å; L268-L274 HydrophobicContact CB-CD1 3.72Å
269N94.8Very high92.8Very high27 Ų2753.9 Ų53.914%0.14426%0.259CS..Hα-helixtrans-71.2-32.3174-176.562.7000112.7K138 W265 M266 K267 E271 G273 L274 Y275K138-N269 WeakPolarHBondContact CE-O 3.18Å; W265-N269 WeakPolarHBondContact O-CB 3.45Å; W265-N269 PolarHBondContact O-N 3.03Å; M266-N269 WeakPolarHBondContact O-CB 3.47Å; M266-N269 PolarHBondContact O-N 3.23Å; M266-N269 VanDerWaalsContact O-N 3.15Å; K267-N269 PolarHBondContact O-N 3.45Å; N269-E271 VanDerWaalsContact C-N 3.34Å; N269-G273 VanDerWaalsContact O-CA 3.27Å; N269-G273 WeakPolarHBondContact O-CA 3.07Å; N269-G273 PolarHBondContact O-N 3.43Å; N269-L274 PolarHBondContact OD1-N 3.41Å; N269-Y275 HydrophobicContact CB-CD1 4.44Å; N269-Y275 HydrophobicContact CB-CD2 3.97Å; N269-Y275 HydrophobicContact CB-CE1 4.07Å; N269-Y275 HydrophobicContact CB-CE2 3.58Å; N269-Y275 HydrophobicContact CB-CG 4.37Å; N269-Y275 VanDerWaalsContact CG-CE2 3.47Å; N269-Y275 VanDerWaalsContact ND2-CD2 3.35Å; N269-Y275 WeakPolarHBondContact ND2-CD2 3.41Å; N269-Y275 WeakPolarHBondContact OD1-CD2 3.45Å; N269-Y275 PolarHBondContact OD1-N 2.99Å
270V92.8Very high91Very high42 Ų4257.5 Ų57.526%0.25529%0.291SS..Hα-helixtrans-60.5-46.6169.7175.30000110.3K136 K138 M266 K267K136-V270 VanDerWaalsContact C-CG2 3.43Å; K136-V270 WeakPolarHBondContact O-CG2 3.43Å; K138-V270 VanDerWaalsContact CE-C 3.45Å; K138-V270 VanDerWaalsContact CE-CA 3.42Å; K138-V270 WeakPolarHBondContact CE-O 3.25Å; K138-V270 HydrophobicContact CG-CB 4.28Å; K138-V270 HydrophobicContact CG-CG1 4.2Å; K138-V270 HydrophobicContact CG-CG2 4.05Å; K138-V270 PolarHBondContact NZ-O 3.39Å; M266-V270 PolarHBondContact O-N 3.27Å; M266-V270 VanDerWaalsContact O-N 3.09Å; K267-V270 WeakPolarHBondContact O-CA 3.43Å; K267-V270 VanDerWaalsContact O-CB 3.3Å; K267-V270 WeakPolarHBondContact O-CB 3.37Å; K267-V270 PolarHBondContact O-N 3.02Å
271E94.4Very high89.3Confident139 Ų13956.7 Ų56.765%0.6530%0.302SS*.Hα-helixtrans-71.1-47.5-177.1-67166.8-169.700112.4K267 L268 N269K267-E271 PolarHBondContact O-N 2.93Å; L268-E271 PolarHBondContact O-N 2.75Å; N269-E271 VanDerWaalsContact C-N 3.34Å
272E94.3Very high88Confident63 Ų6354.2 Ų54.229%0.29429%0.293SS..Hα-helixtrans-111.9-13.3-164.6-62.4177.6-14500114.2K226 R228 L268 L274K226-E272 PolarHBondContact NZ-O 2.97Å; R228-E272 IonicContact CZ-OE1 2.62Å; R228-E272 IonicContact CZ-OE2 3.88Å; R228-E272 VanDerWaalsContact NE-CD 3.29Å; R228-E272 IonicContact NE-OE1 3.13Å; R228-E272 PolarHBondContact NE-OE1 3.05Å; R228-E272 IonicContact NE-OE2 2.7Å; R228-E272 PolarHBondContact NE-OE2 3.21Å; R228-E272 IonicContact NH2-OE1 3.91Å; R228-E272 PolarHBondContact NH2-OE1 2.95Å; R228-E272 IonicContact NH2-OE2 2.71Å; L268-E272 WeakPolarHBondContact O-CB 3.33Å; L268-E272 PolarHBondContact O-N 2.81Å; E272-L274 HydrophobicContact CB-CD2 3.68Å; E272-L274 HydrophobicContact CB-CG 3.93Å
273G92.8Very high87.4Confident14 Ų1457.8 Ų57.814%0.14431%0.311CS..  trans5964.3-174.500000111.8K226 N269K226-G273 WeakPolarHBondContact CE-O 3.3Å; K226-G273 PolarHBondContact NZ-O 2.88Å; N269-G273 VanDerWaalsContact O-CA 3.27Å; N269-G273 WeakPolarHBondContact O-CA 3.07Å; N269-G273 PolarHBondContact O-N 3.43Å
274L94.1Very high87Confident0 Ų056.8 Ų56.80%031%0.307CS..  trans-83.5-20.7-170.6-63.1177.3000114.3D223 K226 R228 I229 W265 L268 N269 E272D223-L274 WeakPolarHBondContact CB-O 3.11Å; D223-L274 PolarHBondContact N-O 3.11Å; K226-L274 HydrophobicContact CB-CD2 4.05Å; K226-L274 HydrophobicContact CG-CD2 4.25Å; R228-L274 HydrophobicContact CB-CD2 4.11Å; I229-L274 HydrophobicContact CD1-CB 4.15Å; I229-L274 HydrophobicContact CG1-CB 4.34Å; I229-L274 HydrophobicContact CG1-CD2 4.38Å; W265-L274 HydrophobicContact CE3-CD1 4.05Å; W265-L274 HydrophobicContact CZ3-CD1 3.88Å; L268-L274 HydrophobicContact CB-CD1 3.72Å; N269-L274 PolarHBondContact OD1-N 3.41Å; E272-L274 HydrophobicContact CB-CD2 3.68Å; E272-L274 HydrophobicContact CB-CG 3.93Å
275Y92.9Very high86.8Confident19 Ų1951.1 Ų51.18%0.07528%0.283CS..BIsolated β-bridgetrans-92.2146.9-174.1-54.4-19.8000111.1L222 W265 N269 P286 P287 I290L222-Y275 HydrophobicContact CD2-CD1 4.22Å; W265-Y275 VanDerWaalsContact C-OH 3.24Å; W265-Y275 WeakPolarHBondContact CB-OH 3.46Å; W265-Y275 PolarHBondContact O-OH 2.75Å; N269-Y275 HydrophobicContact CB-CD1 4.44Å; N269-Y275 HydrophobicContact CB-CD2 3.97Å; N269-Y275 HydrophobicContact CB-CE1 4.07Å; N269-Y275 HydrophobicContact CB-CE2 3.58Å; N269-Y275 HydrophobicContact CB-CG 4.37Å; N269-Y275 VanDerWaalsContact CG-CE2 3.47Å; N269-Y275 VanDerWaalsContact ND2-CD2 3.35Å; N269-Y275 WeakPolarHBondContact ND2-CD2 3.41Å; N269-Y275 WeakPolarHBondContact OD1-CD2 3.45Å; N269-Y275 PolarHBondContact OD1-N 2.99Å; Y275-P286 HydrophobicContact CD1-CB 3.31Å; Y275-P286 HydrophobicContact CD1-CG 3.9Å; Y275-P286 HydrophobicContact CD2-CB 3.75Å; Y275-P286 HydrophobicContact CD2-CG 3.69Å; Y275-P286 HydrophobicContact CE1-CB 3.45Å; Y275-P286 VanDerWaalsContact CE1-CB 3.45Å; Y275-P286 HydrophobicContact CE1-CG 4.4Å; Y275-P286 HydrophobicContact CE2-CB 3.85Å; Y275-P286 HydrophobicContact CE2-CG 4.19Å; Y275-P286 HydrophobicContact CG-CB 3.51Å; Y275-P286 HydrophobicContact CG-CG 3.55Å; Y275-P287 HydrophobicContact CE2-CG 4Å; Y275-P287 WeakPolarHBondContact OH-CD 3.41Å; Y275-P287 VanDerWaalsContact OH-CG 3.26Å; Y275-P287 WeakPolarHBondContact OH-CG 3.47Å; Y275-I290 HydrophobicContact CE1-CD1 4.14Å
276S87.2Confident86.7Confident27 Ų2750 Ų5019%0.18928%0.279CS..  trans-64.5141.5175-179.40000110.4G220 Y221 T278G220-S276 VanDerWaalsContact O-CB 3.25Å; G220-S276 WeakPolarHBondContact O-CB 3.2Å; G220-S276 PolarHBondContact O-OG 2.75Å; Y221-S276 PolarHBondContact O-N 3.13Å; S276-T278 WeakPolarHBondContact OG-CG2 3.47Å; S276-T278 PolarHBondContact OG-N 2.9Å; S276-T278 VanDerWaalsContact OG-N 3.17Å; S276-T278 PolarHBondContact OG-OG1 2.92Å
277R80.3Confident86.8Confident219 Ų21949.8 Ų49.883%0.82628%0.278SS*.SBendtrans-90.7-0.2173.2-62.7-173.7176.5111.4-8.4113.3L279R277-L279 VanDerWaalsContact C-N 3.27Å; R277-L279 PolarHBondContact O-N 3.01Å
278T74.7Confident86.9Confident98 Ų9845.4 Ų45.460%0.60126%0.259SS*.SBendtrans-69.6-24.9-176.9550000113.3G220 S276G220-T278 PolarHBondContact O-OG1 2.96Å; G220-T278 VanDerWaalsContact O-OG1 3.06Å; S276-T278 WeakPolarHBondContact OG-CG2 3.47Å; S276-T278 PolarHBondContact OG-N 2.9Å; S276-T278 VanDerWaalsContact OG-N 3.17Å; S276-T278 PolarHBondContact OG-OG1 2.92Å
279L71.4Confident86.9Confident13 Ų1344.5 Ų44.57%0.06825%0.254CS..SBendtrans-113.194.7179.2-61.9179000109.3A212 Q215 G220 Y221 R277 S282A212-L279 WeakPolarHBondContact O-CD2 3.44Å; Q215-L279 HydrophobicContact CG-CD1 3.77Å; Q215-L279 HydrophobicContact CG-CD2 3.52Å; Q215-L279 HydrophobicContact CG-CG 4.28Å; G220-L279 WeakPolarHBondContact O-CD1 3.39Å; G220-L279 WeakPolarHBondContact O-CG 3.45Å; Y221-L279 HydrophobicContact CD1-CD1 3.78Å; Y221-L279 HydrophobicContact CD2-CD1 4.24Å; Y221-L279 HydrophobicContact CE1-CD1 3.49Å; Y221-L279 VanDerWaalsContact CE1-CD1 3.49Å; Y221-L279 HydrophobicContact CE2-CD1 3.98Å; Y221-L279 HydrophobicContact CG-CD1 4.16Å; R277-L279 VanDerWaalsContact C-N 3.27Å; R277-L279 PolarHBondContact O-N 3.01Å; L279-S282 WeakPolarHBondContact O-CB 3.39Å; L279-S282 PolarHBondContact O-N 2.98Å
280A60.9Low87.1Confident90 Ų9044 Ų4474%0.74425%0.251SS*.THydrogen-bonded Turntrans-54.6140.9176.500000111.2S282A280-S282 PolarHBondContact O-N 3.4Å
281G62Low87.3Confident67 Ų6742.7 Ų42.769%0.69124%0.243SC*.THydrogen-bonded Turntrans725.1176.900000115.8I283G281-I283 VanDerWaalsContact C-N 3.33Å; G281-I283 PolarHBondContact O-N 2.91Å
282S73.1Confident87.5Confident21 Ų2136.1 Ų36.115%0.14721%0.213CC..  trans-89.723-176.7-170.40000114.6Y221 L279 A280 T284 T285 P286Y221-S282 WeakPolarHBondContact CD1-OG 3.44Å; Y221-S282 WeakPolarHBondContact CE1-OG 3.42Å; L279-S282 WeakPolarHBondContact O-CB 3.39Å; L279-S282 PolarHBondContact O-N 2.98Å; A280-S282 PolarHBondContact O-N 3.4Å; S282-T284 PolarHBondContact O-N 3.43Å; S282-T285 PolarHBondContact O-N 3.07Å; S282-T285 WeakPolarHBondContact OG-CB 3.25Å; S282-T285 PolarHBondContact OG-OG1 2.93Å; S282-P286 WeakPolarHBondContact O-CD 3.32Å
283I85.4Confident87.7Confident76 Ų7635 Ų3539%0.3921%0.206SC..THydrogen-bonded Turntrans-62.6-20.2-171.963.2-179.9000114.7V137 F152 G281V137-I283 HydrophobicContact CG1-CD1 4.22Å; F152-I283 HydrophobicContact CE2-CD1 4.02Å; F152-I283 HydrophobicContact CZ-CD1 3.57Å; F152-I283 HydrophobicContact CZ-CG1 3.92Å; G281-I283 VanDerWaalsContact C-N 3.33Å; G281-I283 PolarHBondContact O-N 2.91Å
284T90.5Very high87.7Confident5 Ų540.8 Ų40.83%0.03123%0.229CC..THydrogen-bonded Turntrans-92.2-21.2-179.848.10000114.8T151 F152 R154 F155 S282 P287T151-T284 HydrophobicContact CG2-CG2 3.68Å; F152-T284 HydrophobicContact CD1-CG2 3.64Å; F152-T284 HydrophobicContact CE1-CG2 3.53Å; F152-T284 HydrophobicContact CE2-CG2 4.43Å; F152-T284 HydrophobicContact CG-CG2 4.15Å; F152-T284 HydrophobicContact CZ-CG2 3.96Å; R154-T284 PolarHBondContact NH1-OG1 3.34Å; R154-T284 VanDerWaalsContact NH1-OG1 3.09Å; F155-T284 HydrophobicContact CZ-CG2 4.06Å; F155-T284 VanDerWaalsContact CZ-O 3.26Å; F155-T284 WeakPolarHBondContact CZ-O 3.48Å; S282-T284 PolarHBondContact O-N 3.43Å; T284-P287 WeakPolarHBondContact O-CD 3.49Å
285T94.1Very high87.9Confident12 Ų1245.3 Ų45.37%0.07425%0.25CS..Hα-helixtrans-71.2-46.1-178.4-49.30000112.3Y221 P243 S282 L288 L289Y221-T285 HydrophobicContact CD1-CG2 3.81Å; Y221-T285 HydrophobicContact CE1-CG2 3.63Å; Y221-T285 HydrophobicContact CG-CG2 4.44Å; P243-T285 HydrophobicContact CG-CG2 4.33Å; S282-T285 PolarHBondContact O-N 3.07Å; S282-T285 WeakPolarHBondContact OG-CB 3.25Å; S282-T285 PolarHBondContact OG-OG1 2.93Å; T285-L288 WeakPolarHBondContact O-CB 3.37Å; T285-L288 PolarHBondContact O-N 3.08Å; T285-L288 VanDerWaalsContact O-N 3.11Å; T285-L289 HydrophobicContact CG2-CD1 3.91Å; T285-L289 HydrophobicContact CG2-CD2 4.35Å; T285-L289 HydrophobicContact CG2-CG 3.88Å; T285-L289 WeakPolarHBondContact O-CG 3.29Å; T285-L289 PolarHBondContact O-N 2.77Å
286P96.1Very high88.1Confident2 Ų245.2 Ų45.21%0.01325%0.251CS..Hα-helixtrans-56-46.7-177.9-25.131.8000115.6L222 Y275 S282 L288 L289 I290L222-P286 HydrophobicContact CD2-CB 3.78Å; Y275-P286 HydrophobicContact CD1-CB 3.31Å; Y275-P286 HydrophobicContact CD1-CG 3.9Å; Y275-P286 HydrophobicContact CD2-CB 3.75Å; Y275-P286 HydrophobicContact CD2-CG 3.69Å; Y275-P286 HydrophobicContact CE1-CB 3.45Å; Y275-P286 VanDerWaalsContact CE1-CB 3.45Å; Y275-P286 HydrophobicContact CE1-CG 4.4Å; Y275-P286 HydrophobicContact CE2-CB 3.85Å; Y275-P286 HydrophobicContact CE2-CG 4.19Å; Y275-P286 HydrophobicContact CG-CB 3.51Å; Y275-P286 HydrophobicContact CG-CG 3.55Å; S282-P286 WeakPolarHBondContact O-CD 3.32Å; P286-L288 VanDerWaalsContact C-N 3.27Å; P286-L288 PolarHBondContact O-N 3.48Å; P286-L289 PolarHBondContact O-N 2.83Å; P286-I290 WeakPolarHBondContact O-CD1 3.44Å; P286-I290 VanDerWaalsContact O-CG1 3.24Å; P286-I290 WeakPolarHBondContact O-CG1 3.23Å; P286-I290 PolarHBondContact O-N 3.22Å
287P97.4Very high88.6Confident0 Ų044.1 Ų44.10%024%0.243CC..Hα-helixtrans-55-43.7174.8-16.821.7000112.4F155 L262 W265 M266 Y275 T284 I290 V291F155-P287 HydrophobicContact CE2-CB 4.22Å; F155-P287 HydrophobicContact CE2-CG 4.07Å; F155-P287 HydrophobicContact CZ-CB 4.1Å; F155-P287 HydrophobicContact CZ-CG 3.94Å; L262-P287 HydrophobicContact CD2-CB 3.81Å; L262-P287 WeakPolarHBondContact CD2-O 2.97Å; W265-P287 HydrophobicContact CB-CB 4.07Å; M266-P287 HydrophobicContact CG-CG 4.23Å; Y275-P287 HydrophobicContact CE2-CG 4Å; Y275-P287 WeakPolarHBondContact OH-CD 3.41Å; Y275-P287 VanDerWaalsContact OH-CG 3.26Å; Y275-P287 WeakPolarHBondContact OH-CG 3.47Å; T284-P287 WeakPolarHBondContact O-CD 3.49Å; P287-I290 PolarHBondContact O-N 3.1Å; P287-V291 WeakPolarHBondContact O-CB 3.23Å; P287-V291 WeakPolarHBondContact O-CG2 3.33Å; P287-V291 PolarHBondContact O-N 3.49Å
288L98Very high89.4Confident0 Ų037 Ų370%022%0.224CC..Hα-helixtrans-66.5-44.8179.5-70.4169.4000111.5F155 F241 P243 W253 L262 T285 P286 I290 V291 F292F155-L288 HydrophobicContact CD1-CD1 4.33Å; F155-L288 HydrophobicContact CD1-CD2 4.18Å; F155-L288 HydrophobicContact CD1-CG 4.24Å; F155-L288 HydrophobicContact CE1-CD1 3.63Å; F155-L288 HydrophobicContact CE1-CD2 4.03Å; F155-L288 HydrophobicContact CE1-CG 3.59Å; F155-L288 HydrophobicContact CZ-CG 4.31Å; F241-L288 HydrophobicContact CE2-CB 4.09Å; F241-L288 HydrophobicContact CZ-CB 4.37Å; P243-L288 HydrophobicContact CB-CD1 3.18Å; P243-L288 HydrophobicContact CG-CD1 4.03Å; W253-L288 HydrophobicContact CH2-CD2 4.41Å; L262-L288 HydrophobicContact CD1-CD2 3.9Å; L262-L288 HydrophobicContact CD2-CD2 3.71Å; L262-L288 HydrophobicContact CD2-CG 4.08Å; L262-L288 HydrophobicContact CG-CD2 4.49Å; T285-L288 WeakPolarHBondContact O-CB 3.37Å; T285-L288 PolarHBondContact O-N 3.08Å; T285-L288 VanDerWaalsContact O-N 3.11Å; P286-L288 VanDerWaalsContact C-N 3.27Å; P286-L288 PolarHBondContact O-N 3.48Å; L288-I290 VanDerWaalsContact C-N 3.28Å; L288-I290 PolarHBondContact O-N 2.74Å; L288-V291 PolarHBondContact O-N 3.23Å; L288-F292 HydrophobicContact CB-CD2 4.44Å; L288-F292 HydrophobicContact CD2-CD2 3.98Å; L288-F292 HydrophobicContact CD2-CE2 3.7Å; L288-F292 VanDerWaalsContact O-CB 3.32Å; L288-F292 WeakPolarHBondContact O-CB 3.3Å; L288-F292 WeakPolarHBondContact O-CD2 3.15Å; L288-F292 PolarHBondContact O-N 3.2Å
289L97.6Very high90.4Very high0 Ų032.4 Ų32.40%020%0.196CC..Hα-helixtrans-57.6-42175.6-68.6-177.7000111.6Y218 Y221 F241 T285 P286 Y293Y218-L289 HydrophobicContact CD1-CD1 4.26Å; Y218-L289 HydrophobicContact CD2-CB 4.4Å; Y218-L289 HydrophobicContact CE1-CB 4.25Å; Y218-L289 HydrophobicContact CE1-CD1 4.22Å; Y218-L289 HydrophobicContact CE1-CD2 3.78Å; Y218-L289 HydrophobicContact CE1-CG 4.3Å; Y218-L289 HydrophobicContact CE2-CB 3.72Å; Y218-L289 HydrophobicContact CG-CD1 4.5Å; Y218-L289 PolarHBondContact OH-O 3.41Å; Y221-L289 HydrophobicContact CD1-CD1 4.33Å; Y221-L289 HydrophobicContact CD2-CD1 3.63Å; Y221-L289 HydrophobicContact CE2-CD1 4.35Å; Y221-L289 HydrophobicContact CG-CD1 3.62Å; F241-L289 HydrophobicContact CD1-CD2 3.89Å; F241-L289 HydrophobicContact CD2-CD2 4.07Å; F241-L289 HydrophobicContact CE1-CD2 3.73Å; F241-L289 HydrophobicContact CE2-CD2 3.91Å; F241-L289 HydrophobicContact CG-CD2 4.05Å; F241-L289 HydrophobicContact CZ-CD2 3.73Å; T285-L289 HydrophobicContact CG2-CD1 3.91Å; T285-L289 HydrophobicContact CG2-CD2 4.35Å; T285-L289 HydrophobicContact CG2-CG 3.88Å; T285-L289 WeakPolarHBondContact O-CG 3.29Å; T285-L289 PolarHBondContact O-N 2.77Å; P286-L289 PolarHBondContact O-N 2.83Å; L289-Y293 WeakPolarHBondContact O-CA 3.5Å; L289-Y293 WeakPolarHBondContact O-CB 3.11Å; L289-Y293 PolarHBondContact O-N 3.18Å; L289-Y293 VanDerWaalsContact O-N 3.09Å
290I98.3Very high91.5Very high16 Ų1635 Ų358%0.08221%0.21CC..Hα-helixtrans-68.2-49.3179.3-61160.1000111.1L222 L232 M234 W265 Y275 P286 P287 L288 F292 Y293L222-I290 HydrophobicContact CD1-CG1 4.39Å; L222-I290 HydrophobicContact CD2-CD1 3.91Å; L222-I290 HydrophobicContact CD2-CG1 4.04Å; L232-I290 HydrophobicContact CD1-CG1 4.39Å; L232-I290 HydrophobicContact CD1-CG2 3.94Å; M234-I290 HydrophobicContact CE-CG1 4.02Å; W265-I290 HydrophobicContact CD2-CB 4.44Å; W265-I290 HydrophobicContact CD2-CD1 3.68Å; W265-I290 HydrophobicContact CD2-CG2 4.02Å; W265-I290 HydrophobicContact CE3-CD1 3.64Å; W265-I290 HydrophobicContact CG-CD1 4.13Å; W265-I290 HydrophobicContact CG-CG2 4.47Å; W265-I290 HydrophobicContact CH2-CG2 4.26Å; W265-I290 HydrophobicContact CZ2-CG2 3.48Å; W265-I290 VanDerWaalsContact CZ2-CG2 3.48Å; W265-I290 HydrophobicContact CZ3-CD1 4.07Å; W265-I290 VanDerWaalsContact NE1-CG2 3.35Å; Y275-I290 HydrophobicContact CE1-CD1 4.14Å; P286-I290 WeakPolarHBondContact O-CD1 3.44Å; P286-I290 VanDerWaalsContact O-CG1 3.24Å; P286-I290 WeakPolarHBondContact O-CG1 3.23Å; P286-I290 PolarHBondContact O-N 3.22Å; P287-I290 PolarHBondContact O-N 3.1Å; L288-I290 VanDerWaalsContact C-N 3.28Å; L288-I290 PolarHBondContact O-N 2.74Å; I290-F292 PolarHBondContact O-N 3.37Å; I290-Y293 WeakPolarHBondContact O-CB 3.41Å; I290-Y293 PolarHBondContact O-N 3.2Å
291V98.5Very high93.1Very high15 Ų1532.3 Ų32.39%0.09118%0.184CC..Hα-helixtrans-69.7-33.7-174.9172.30000112.1I258 Q261 L262 P287 L288I258-V291 HydrophobicContact CD1-CG1 3.75Å; I258-V291 HydrophobicContact CG2-CG1 3.92Å; Q261-V291 HydrophobicContact CB-CG1 4.22Å; Q261-V291 HydrophobicContact CB-CG2 3.78Å; L262-V291 HydrophobicContact CD2-CB 3.92Å; L262-V291 HydrophobicContact CD2-CG1 4.42Å; L262-V291 HydrophobicContact CD2-CG2 3.73Å; L262-V291 HydrophobicContact CG-CG2 4.26Å; P287-V291 WeakPolarHBondContact O-CB 3.23Å; P287-V291 WeakPolarHBondContact O-CG2 3.33Å; P287-V291 PolarHBondContact O-N 3.49Å; L288-V291 PolarHBondContact O-N 3.23Å
292F98.3Very high94.7Very high2 Ų231.1 Ų31.11%0.00916%0.161CC..THydrogen-bonded Turntrans-9913.7179.5-69.4-76.2000113.6A193 A194 F196 F241 W253 I258 L288 I290 Q294 Q295 H296A193-F292 HydrophobicContact CB-CE1 4Å; A194-F292 HydrophobicContact CB-CD1 4.16Å; A194-F292 HydrophobicContact CB-CE1 3.56Å; A194-F292 HydrophobicContact CB-CZ 3.84Å; F196-F292 HydrophobicContact CE2-CB 4.13Å; F196-F292 HydrophobicContact CE2-CD1 4.07Å; F196-F292 AromaticContact CE2-CD2 3.91Å; F196-F292 HydrophobicContact CE2-CD2 3.91Å; F196-F292 HydrophobicContact CE2-CE1 4.47Å; F196-F292 HydrophobicContact CE2-CE2 4.34Å; F196-F292 AromaticContact CE2-CG 3.77Å; F196-F292 HydrophobicContact CE2-CG 3.77Å; F196-F292 AromaticContact CZ-CD2 4Å; F196-F292 HydrophobicContact CZ-CD2 4Å; F196-F292 HydrophobicContact CZ-CE2 4.15Å; F196-F292 HydrophobicContact CZ-CG 4.33Å; F241-F292 HydrophobicContact CE1-CB 4.18Å; F241-F292 HydrophobicContact CZ-CB 3.91Å; W253-F292 AromaticContact CE3-CZ 3.85Å; W253-F292 HydrophobicContact CE3-CZ 3.85Å; W253-F292 AromaticContact CH2-CE2 3.92Å; W253-F292 HydrophobicContact CH2-CE2 3.92Å; W253-F292 AromaticContact CH2-CZ 3.84Å; W253-F292 HydrophobicContact CH2-CZ 3.84Å; W253-F292 HydrophobicContact CZ3-CE1 4.47Å; W253-F292 AromaticContact CZ3-CE2 3.94Å; W253-F292 HydrophobicContact CZ3-CE2 3.94Å; W253-F292 AromaticContact CZ3-CZ 3.41Å; W253-F292 HydrophobicContact CZ3-CZ 3.41Å; W253-F292 VanDerWaalsContact CZ3-CZ 3.41Å; I258-F292 HydrophobicContact CG2-CE2 3.98Å; I258-F292 HydrophobicContact CG2-CZ 3.72Å; L288-F292 HydrophobicContact CB-CD2 4.44Å; L288-F292 HydrophobicContact CD2-CD2 3.98Å; L288-F292 HydrophobicContact CD2-CE2 3.7Å; L288-F292 VanDerWaalsContact O-CB 3.32Å; L288-F292 WeakPolarHBondContact O-CB 3.3Å; L288-F292 WeakPolarHBondContact O-CD2 3.15Å; L288-F292 PolarHBondContact O-N 3.2Å; I290-F292 PolarHBondContact O-N 3.37Å; F292-Q294 PolarHBondContact O-N 3.18Å; F292-Q295 PolarHBondContact O-N 3.35Å; F292-H296 HydrophobicContact CB-CB 4.23Å; F292-H296 HydrophobicContact CD1-CB 4.3Å; F292-H296 PolarHBondContact O-ND1 3.49Å
293Y97.4Very high95.8Very high39 Ų3930.5 Ų30.515%0.15316%0.156CC..THydrogen-bonded Turntrans-57.1111.8179.4-175.4-107.3000110.9Y218 M234 K235 T238 L289 I290 Q295Y218-Y293 HydrophobicContact CD2-CD2 4.36Å; Y218-Y293 AromaticContact CE2-CD2 3.48Å; Y218-Y293 HydrophobicContact CE2-CD2 3.48Å; Y218-Y293 VanDerWaalsContact CE2-CD2 3.48Å; Y218-Y293 HydrophobicContact CE2-CE2 4Å; Y218-Y293 AromaticContact CZ-CD2 3.68Å; M234-Y293 HydrophobicContact CB-CD2 4.23Å; M234-Y293 HydrophobicContact CB-CE1 4.3Å; M234-Y293 HydrophobicContact CB-CE2 3.79Å; M234-Y293 HydrophobicContact CG-CD1 3.76Å; M234-Y293 HydrophobicContact CG-CD2 3.78Å; M234-Y293 HydrophobicContact CG-CE1 3.78Å; M234-Y293 HydrophobicContact CG-CE2 3.78Å; M234-Y293 HydrophobicContact CG-CG 3.75Å; M234-Y293 HydrophobicContact SD-CD1 4.2Å; M234-Y293 HydrophobicContact SD-CD2 3.62Å; M234-Y293 HydrophobicContact SD-CE2 4.17Å; M234-Y293 HydrophobicContact SD-CG 3.62Å; K235-Y293 PolarHBondContact N-OH 2.85Å; T238-Y293 HydrophobicContact CG2-CD2 4.4Å; T238-Y293 HydrophobicContact CG2-CE2 3.69Å; T238-Y293 PolarHBondContact OG1-OH 2.78Å; L289-Y293 WeakPolarHBondContact O-CA 3.5Å; L289-Y293 WeakPolarHBondContact O-CB 3.11Å; L289-Y293 PolarHBondContact O-N 3.18Å; L289-Y293 VanDerWaalsContact O-N 3.09Å; I290-Y293 WeakPolarHBondContact O-CB 3.41Å; I290-Y293 PolarHBondContact O-N 3.2Å; Y293-Q295 WeakPolarHBondContact O-CG 3.35Å; Y293-Q295 PolarHBondContact O-N 3.46Å
294Q94.6Very high96.3Very high135 Ų13526.9 Ų26.963%0.63114%0.137SC*.THydrogen-bonded Turntrans55.913.6-174.2-53.6-179.712.500115.1F292F292-Q294 PolarHBondContact O-N 3.18Å
295Q96.5Very high96.4Very high95 Ų9526.7 Ų26.744%0.44414%0.136SC..  trans-120.135.9-176.7-67-65.6-23.500111.1F292 Y293F292-Q295 PolarHBondContact O-N 3.35Å; Y293-Q295 WeakPolarHBondContact O-CG 3.35Å; Y293-Q295 PolarHBondContact O-N 3.46Å
296H97.9Very high96.2Very high18 Ų1826.2 Ų26.28%0.08313%0.133CC..  trans-137.8153.2176.964.9-78.6000111.7H192 A194 F196 E198 F241 F292H192-H296 VanDerWaalsContact CE1-C 3.45Å; H192-H296 PolarHBondContact CE1-O 3.35Å; H192-H296 PolarHBondContact ND1-O 3.14Å; A194-H296 WeakPolarHBondContact O-CA 3.47Å; F196-H296 HydrophobicContact CD2-CB 3.76Å; F196-H296 AromaticContact CD2-CD2 3.97Å; F196-H296 AromaticContact CD2-CG 3.97Å; F196-H296 HydrophobicContact CE2-CB 4.12Å; E198-H296 IonicContact OE1-NE2 2.67Å; E198-H296 PolarHBondContact OE1-NE2 2.86Å; F241-H296 AromaticContact CD1-CE1 3.86Å; F241-H296 AromaticContact CD1-NE2 3.71Å; F241-H296 AromaticContact CE1-CE1 3.83Å; F241-H296 AromaticContact CE1-ND1 3.96Å; F292-H296 HydrophobicContact CB-CB 4.23Å; F292-H296 HydrophobicContact CD1-CB 4.3Å; F292-H296 PolarHBondContact O-ND1 3.49Å
297S98.1Very high95.8Very high4 Ų426.3 Ų26.33%0.02813%0.133CC..EExtended strand (participates in β ladder)trans-85.9167.3169.3-89.60000110.9P187 L188 K189 H192 A194 A195 F196P187-S297 WeakPolarHBondContact O-CB 3.44Å; P187-S297 PolarHBondContact O-OG 3.33Å; L188-S297 WeakPolarHBondContact CA-OG 3.49Å; K189-S297 PolarHBondContact N-OG 2.81Å; H192-S297 PolarHBondContact ND1-N 3.35Å; H192-S297 VanDerWaalsContact ND1-N 3.16Å; A194-S297 PolarHBondContact O-N 2.87Å; A195-S297 CarbonylContact C-O 3.41Å; A195-S297 WeakPolarHBondContact CA-O 3.42Å; A195-S297 WeakPolarHBondContact CB-O 3.33Å; F196-S297 PolarHBondContact N-O 2.97Å
298T96.3Very high95.6Very high69 Ų6926.5 Ų26.542%0.42313%0.134SC..EExtended strand (participates in β ladder)trans-102.2138.5-179.1-460000110.7F196F196-T298 CarbonylContact O-C 3.4Å; F196-T298 WeakPolarHBondContact O-CA 3.45Å
299I96.2Very high95.3Very high2 Ų226.5 Ų26.51%0.0113%0.134CC..PPolyproline II helixtrans-97140.9166.4-63.6171000107.9L183 T186 A195 F196 V247 W303L183-I299 HydrophobicContact CD1-CD1 4.05Å; L183-I299 HydrophobicContact CD1-CG1 4.36Å; L183-I299 HydrophobicContact CD1-CG2 3.64Å; T186-I299 HydrophobicContact CG2-CG1 4.11Å; A195-I299 HydrophobicContact CB-CD1 4.28Å; A195-I299 HydrophobicContact CB-CG1 3.71Å; A195-I299 WeakPolarHBondContact O-CD1 3.46Å; F196-I299 PolarHBondContact O-N 2.82Å; V247-I299 HydrophobicContact CG2-CD1 4.05Å; I299-W303 HydrophobicContact CG2-CB 3.55Å; I299-W303 HydrophobicContact CG2-CG 4.11Å
300D94.8Very high94.8Very high68 Ų6828.1 Ų28.136%0.36415%0.146SC..PPolyproline II helixtrans-51.8125170.8166.71.1000110.6M302 W303 K325D300-M302 PolarHBondContact O-N 3.48Å; D300-M302 WeakPolarHBondContact OD1-CB 3.27Å; D300-M302 PolarHBondContact OD1-N 3.43Å; D300-W303 WeakPolarHBondContact O-CB 3.42Å; D300-W303 PolarHBondContact O-N 2.96Å; D300-K325 IonicContact OD2-NZ 3.38Å; D300-K325 PolarHBondContact OD2-NZ 3.14Å
301P93.9Very high94.3Very high32 Ų3228.8 Ų28.821%0.20815%0.152CC..G310 helixtrans-56.1-20.6-176.6-25.633.1000115.7D201 W303 N304D201-P301 HydrophobicContact CB-CG 3.87Å; D201-P301 WeakPolarHBondContact O-CB 3.16Å; D201-P301 VanDerWaalsContact O-CG 3.26Å; D201-P301 WeakPolarHBondContact O-CG 3.46Å; P301-W303 PolarHBondContact O-N 3.39Å; P301-N304 CarbonylContact O-C 3.37Å; P301-N304 PolarHBondContact O-N 2.76Å
302M95.5Very high93.7Very high43 Ų4329.9 Ų29.921%0.21216%0.162CC..G310 helixtrans-66.4-16.8174.3-65-60.9-78.600113.3D300 N304 F320 A323 A324 K325 L326D300-M302 PolarHBondContact O-N 3.48Å; D300-M302 WeakPolarHBondContact OD1-CB 3.27Å; D300-M302 PolarHBondContact OD1-N 3.43Å; M302-N304 VanDerWaalsContact C-N 3.32Å; M302-F320 HydrophobicContact CE-CE2 4.32Å; M302-F320 HydrophobicContact CE-CZ 4.39Å; M302-F320 HydrophobicContact SD-CE2 4.06Å; M302-F320 HydrophobicContact SD-CZ 3.91Å; M302-A323 VanDerWaalsContact CE-C 3.48Å; M302-A323 HydrophobicContact CE-CB 4.19Å; M302-A323 VanDerWaalsContact CE-O 3.23Å; M302-A323 WeakPolarHBondContact CE-O 3.38Å; M302-A324 HydrophobicContact CE-CB 4.46Å; M302-K325 HydrophobicContact CB-CD 4.19Å; M302-K325 HydrophobicContact CB-CG 4.12Å; M302-K325 WeakPolarHBondContact O-CA 3.49Å; M302-K325 WeakPolarHBondContact O-CB 3.48Å; M302-K325 PolarHBondContact O-N 3.34Å; M302-L326 PolarHBondContact O-N 3Å
303W96.8Very high93.2Very high7 Ų731.7 Ų31.73%0.02718%0.182CC..G310 helixtrans-86.34.4171.6-76112.5000114V176 D179 I180 A182 L183 I299 D300 P301 K325 L326V176-W303 HydrophobicContact CG1-CZ3 4Å; D179-W303 WeakPolarHBondContact O-CH2 3.33Å; D179-W303 WeakPolarHBondContact O-CZ2 3.3Å; I180-W303 HydrophobicContact CD1-CZ3 4.34Å; A182-W303 HydrophobicContact CB-CZ2 3.98Å; L183-W303 HydrophobicContact CB-CD2 3.82Å; L183-W303 HydrophobicContact CB-CE3 3.83Å; L183-W303 HydrophobicContact CB-CG 4.5Å; L183-W303 HydrophobicContact CB-CH2 3.92Å; L183-W303 HydrophobicContact CB-CZ2 3.88Å; L183-W303 HydrophobicContact CB-CZ3 3.87Å; L183-W303 HydrophobicContact CD1-CB 4.04Å; L183-W303 HydrophobicContact CD1-CD2 4.03Å; L183-W303 HydrophobicContact CD1-CE3 4.39Å; L183-W303 HydrophobicContact CD1-CG 3.87Å; L183-W303 HydrophobicContact CD2-CD2 4.3Å; L183-W303 HydrophobicContact CD2-CE3 3.83Å; L183-W303 HydrophobicContact CD2-CZ3 4.23Å; L183-W303 HydrophobicContact CG-CD2 4.26Å; L183-W303 HydrophobicContact CG-CE3 4.23Å; I299-W303 HydrophobicContact CG2-CB 3.55Å; I299-W303 HydrophobicContact CG2-CG 4.11Å; D300-W303 WeakPolarHBondContact O-CB 3.42Å; D300-W303 PolarHBondContact O-N 2.96Å; P301-W303 PolarHBondContact O-N 3.39Å; W303-K325 HydrophobicContact CD2-CB 3.69Å; W303-K325 HydrophobicContact CD2-CD 4.01Å; W303-K325 VanDerWaalsContact CE2-CD 3.46Å; W303-K325 HydrophobicContact CE3-CB 3.83Å; W303-K325 HydrophobicContact CG-CB 4.19Å; W303-K325 HydrophobicContact CG-CD 4.17Å; W303-K325 HydrophobicContact CH2-CB 4.22Å; W303-K325 HydrophobicContact CZ2-CB 4.12Å; W303-K325 HydrophobicContact CZ2-CD 3.88Å; W303-K325 HydrophobicContact CZ2-CG 4.48Å; W303-K325 HydrophobicContact CZ3-CB 4.11Å; W303-K325 VanDerWaalsContact NE1-CD 3.35Å; W303-L326 HydrophobicContact CE3-CB 4.13Å; W303-L326 WeakPolarHBondContact O-CB 3.2Å; W303-L326 WeakPolarHBondContact O-CD1 3.4Å
304N94.7Very high92.6Very high1 Ų136 Ų361%0.00520%0.201CC..  trans-152.165.2171.7-1575.5000110.7N242 P301 M302 R306 H328N242-N304 WeakPolarHBondContact CB-ND2 3.21Å; P301-N304 CarbonylContact O-C 3.37Å; P301-N304 PolarHBondContact O-N 2.76Å; M302-N304 VanDerWaalsContact C-N 3.32Å; N304-R306 HydrophobicContact CB-CG 4.48Å; N304-R306 VanDerWaalsContact O-CG 3.3Å; N304-R306 WeakPolarHBondContact O-CG 3.41Å; N304-R306 PolarHBondContact O-N 2.97Å; N304-R306 WeakPolarHBondContact OD1-CG 3.43Å; N304-H328 PolarHBondContact OD1-ND1 2.87Å
305V94.3Very high92.1Very high1 Ų133.2 Ų33.21%0.00619%0.185CC..BIsolated β-bridgetrans-74.693.9173.6177.70000109Y316 F320 A324 L326 L327 H328V305-Y316 HydrophobicContact CG1-CD2 4.07Å; V305-Y316 HydrophobicContact CG1-CE2 3.54Å; V305-F320 HydrophobicContact CG1-CE1 3.8Å; V305-F320 HydrophobicContact CG2-CE1 4.04Å; V305-F320 HydrophobicContact CG2-CZ 4.27Å; V305-A324 HydrophobicContact CB-CB 4.25Å; V305-A324 HydrophobicContact CG2-CB 3.65Å; V305-L326 WeakPolarHBondContact CB-O 3.31Å; V305-L326 PolarHBondContact N-O 2.84Å; V305-L327 HydrophobicContact CB-CD2 4.26Å; V305-L327 HydrophobicContact CG1-CD2 4.24Å; V305-H328 PolarHBondContact O-N 3.41Å
306R88.9Confident91.7Very high2 Ų230 Ų301%0.00817%0.169CC..  trans-84.9178-171.4-60.5-162.1-33.1-179.43.3114.5D199 N242 N304 L308 Y316 N330D199-R306 IonicContact OD1-CZ 2.6Å; D199-R306 IonicContact OD1-NE 3.3Å; D199-R306 IonicContact OD1-NH1 3.88Å; D199-R306 PolarHBondContact OD1-NH1 3.47Å; D199-R306 IonicContact OD1-NH2 3.71Å; D199-R306 PolarHBondContact OD1-NH2 3.39Å; D199-R306 IonicContact OD2-CZ 3.37Å; D199-R306 IonicContact OD2-NH1 2.71Å; D199-R306 PolarHBondContact OD2-NH1 3.06Å; D199-R306 IonicContact OD2-NH2 2.74Å; D199-R306 PolarHBondContact OD2-NH2 2.93Å; D199-R306 VanDerWaalsContact OD2-NH2 3.11Å; N242-R306 VanDerWaalsContact CB-CD 3.42Å; N242-R306 PolarHBondContact ND2-NH1 3.01Å; N304-R306 HydrophobicContact CB-CG 4.48Å; N304-R306 VanDerWaalsContact O-CG 3.3Å; N304-R306 WeakPolarHBondContact O-CG 3.41Å; N304-R306 PolarHBondContact O-N 2.97Å; N304-R306 WeakPolarHBondContact OD1-CG 3.43Å; R306-L308 VanDerWaalsContact C-N 3.26Å; R306-L308 PolarHBondContact O-N 2.92Å; R306-Y316 PolarHBondContact O-OH 3.18Å; R306-N330 WeakPolarHBondContact CA-OD1 3.25Å; R306-N330 WeakPolarHBondContact CB-OD1 3.48Å
307H88.8Confident91.4Very high4 Ų432 Ų322%0.01918%0.184CC..  trans70.515.3168.5-56.2-73.7000114.3S204 I209 Q215 G309 S310 H328 N330S204-H307 PolarHBondContact OG-CD2 3.22Å; I209-H307 HydrophobicContact CD1-CB 3.85Å; I209-H307 VanDerWaalsContact CD1-CG 3.44Å; Q215-H307 PolarHBondContact OE1-CE1 3.12Å; H307-G309 PolarHBondContact O-N 3.36Å; H307-S310 WeakPolarHBondContact O-CB 3.03Å; H307-S310 PolarHBondContact O-N 3Å; H307-S310 PolarHBondContact O-OG 3.46Å; H307-H328 PolarHBondContact N-O 2.84Å; H307-N330 PolarHBondContact N-OD1 3.45Å
308L92.6Very high91.1Very high3 Ų336.5 Ų36.52%0.01621%0.214CC..THydrogen-bonded Turntrans-65.2-25.1175.2-51.4-168.3000111.5R306 Y316 L327 H328 W329 S341 Y342R306-L308 VanDerWaalsContact C-N 3.26Å; R306-L308 PolarHBondContact O-N 2.92Å; L308-Y316 HydrophobicContact CD2-CD2 3.65Å; L308-Y316 HydrophobicContact CD2-CE2 3.53Å; L308-L327 HydrophobicContact CD1-CB 3.7Å; L308-L327 HydrophobicContact CD1-CD2 3.95Å; L308-L327 HydrophobicContact CD1-CG 4.31Å; L308-H328 WeakPolarHBondContact CB-O 3.48Å; L308-H328 WeakPolarHBondContact CG-O 3.46Å; L308-H328 PolarHBondContact N-O 3.45Å; L308-W329 HydrophobicContact CB-CB 4.43Å; L308-W329 HydrophobicContact CB-CD2 3.88Å; L308-W329 HydrophobicContact CB-CG 3.71Å; L308-W329 HydrophobicContact CD1-CD2 4.05Å; L308-W329 HydrophobicContact CD1-CE3 4.19Å; L308-W329 HydrophobicContact CD1-CH2 4.13Å; L308-W329 HydrophobicContact CD1-CZ2 4Å; L308-W329 HydrophobicContact CD1-CZ3 4.21Å; L308-S341 PolarHBondContact O-OG 2.67Å; L308-Y342 HydrophobicContact CD1-CD2 4.26Å; L308-Y342 HydrophobicContact CD2-CD2 4.15Å; L308-Y342 HydrophobicContact CD2-CE2 3.86Å
309G91.2Very high91Very high0 Ų039.8 Ų39.80%022%0.224CC..THydrogen-bonded Turntrans-92.22.917500000114.7H307 N330 G331 H332 F333H307-G309 PolarHBondContact O-N 3.36Å; G309-N330 CarbonylContact C-O 3.57Å; G309-N330 WeakPolarHBondContact CA-O 3.41Å; G309-N330 PolarHBondContact N-O 3.33Å; G309-G331 CarbonylContact O-C 3.51Å; G309-G331 VanDerWaalsContact O-C 3.29Å; G309-G331 WeakPolarHBondContact O-CA 3.44Å; G309-H332 PolarHBondContact O-N 3.13Å; G309-F333 VanDerWaalsContact CA-O 3.25Å; G309-F333 WeakPolarHBondContact CA-O 3.36Å; G309-F333 WeakPolarHBondContact O-CB 3.39Å; G309-F333 WeakPolarHBondContact O-CD2 3.21Å; G309-F333 PolarHBondContact O-N 3.16Å
310S87.7Confident91Very high35 Ų3542.2 Ų42.225%0.24524%0.235CC..SBendtrans-83.8-19.4-179.867.80000113.5H307 R315 N330H307-S310 WeakPolarHBondContact O-CB 3.03Å; H307-S310 PolarHBondContact O-N 3Å; H307-S310 PolarHBondContact O-OG 3.46Å; S310-R315 PolarHBondContact OG-NH1 3.4Å; S310-R315 PolarHBondContact OG-NH2 3.02Å; S310-N330 PolarHBondContact N-O 3.02Å
311S87.2Confident91Very high30 Ų3039.2 Ų39.221%0.2122%0.219CC..  trans-154.3159170.663.50000110.9G313 R315S311-G313 PolarHBondContact O-N 3.33Å; S311-R315 VanDerWaalsContact CB-NH2 3.27Å; S311-R315 PolarHBondContact OG-NE 2.97Å; S311-R315 VanDerWaalsContact OG-NE 3.09Å; S311-R315 PolarHBondContact OG-NH2 3.33Å
312A87.1Confident91.1Very high37 Ų3746.2 Ų46.231%0.30625%0.246SC..SBendtrans-66.7-19.3170.900000114.9F333 T339 A340 S341A312-F333 HydrophobicContact CB-CD1 4.25Å; A312-F333 HydrophobicContact CB-CE1 4.39Å; A312-T339 HydrophobicContact CB-CG2 3.5Å; A312-A340 CarbonylContact O-C 3.4Å; A312-S341 WeakPolarHBondContact O-CA 3.49Å; A312-S341 PolarHBondContact O-N 2.97Å
313G86.1Confident91.1Very high41 Ų4147.1 Ų47.142%0.42326%0.261SS..SBendtrans-73.5144.7-17700000114.1S311 R315 S341S311-G313 PolarHBondContact O-N 3.33Å; G313-R315 PolarHBondContact O-N 3.24Å; G313-S341 VanDerWaalsContact O-CB 3.27Å; G313-S341 WeakPolarHBondContact O-CB 3.27Å
314K85.6Confident91.1Very high129 Ų12947 Ų4756%0.56126%0.261SS*.  trans-78.9113.7171.4-65.3-174.4174.8-170.10109.3Y342 D344K314-Y342 WeakPolarHBondContact CA-OH 3.43Å; K314-Y342 HydrophobicContact CB-CE1 3.73Å; K314-Y342 HydrophobicContact CB-CE2 4.4Å; K314-Y342 HydrophobicContact CD-CD1 3.91Å; K314-Y342 HydrophobicContact CD-CE1 3.8Å; K314-Y342 HydrophobicContact CG-CD1 3.93Å; K314-Y342 HydrophobicContact CG-CE1 3.63Å; K314-Y342 HydrophobicContact CG-CE2 4.41Å; K314-Y342 HydrophobicContact CG-CG 4.43Å; K314-D344 IonicContact NZ-OD1 2.95Å; K314-D344 PolarHBondContact NZ-OD1 3.33Å; K314-D344 IonicContact NZ-OD2 3.94Å
315R83.4Confident91.3Very high76 Ų7650.3 Ų50.329%0.28728%0.275SS..  trans-101-15-175.4-59.3-173.3-170.7171.82.8115.8I209 S310 S311 G313 Y342I209-R315 VanDerWaalsContact CG2-NH1 3.32Å; S310-R315 PolarHBondContact OG-NH1 3.4Å; S310-R315 PolarHBondContact OG-NH2 3.02Å; S311-R315 VanDerWaalsContact CB-NH2 3.27Å; S311-R315 PolarHBondContact OG-NE 2.97Å; S311-R315 VanDerWaalsContact OG-NE 3.09Å; S311-R315 PolarHBondContact OG-NH2 3.33Å; G313-R315 PolarHBondContact O-N 3.24Å; R315-Y342 PolarHBondContact N-OH 3.09Å
316Y88.6Confident91.4Very high29 Ų2950.2 Ų50.211%0.11428%0.275CS..SBendtrans-116.5149.6-176.5-61.9-62.8000108.4A203 S204 V305 R306 L308 F320 Y342A203-Y316 HydrophobicContact CB-CE1 4.38Å; S204-Y316 WeakPolarHBondContact CA-OH 3.44Å; S204-Y316 WeakPolarHBondContact CB-OH 3.4Å; S204-Y316 PolarHBondContact N-OH 3.09Å; V305-Y316 HydrophobicContact CG1-CD2 4.07Å; V305-Y316 HydrophobicContact CG1-CE2 3.54Å; R306-Y316 PolarHBondContact O-OH 3.18Å; L308-Y316 HydrophobicContact CD2-CD2 3.65Å; L308-Y316 HydrophobicContact CD2-CE2 3.53Å; Y316-F320 AromaticContact CD1-CD1 3.65Å; Y316-F320 HydrophobicContact CD1-CD1 3.65Å; Y316-F320 AromaticContact CD1-CE1 3.79Å; Y316-F320 HydrophobicContact CD1-CE1 3.79Å; Y316-F320 HydrophobicContact CD1-CG 4.45Å; Y316-F320 HydrophobicContact CD2-CD1 4.44Å; Y316-F320 HydrophobicContact CE1-CD1 4.32Å; Y316-F320 AromaticContact CE1-CE1 3.98Å; Y316-F320 HydrophobicContact CE1-CE1 3.98Å; Y316-F320 AromaticContact CG-CD1 3.72Å; Y316-F320 HydrophobicContact CG-CD1 3.72Å; Y316-F320 HydrophobicContact CG-CE1 4.1Å; Y316-Y342 WeakPolarHBondContact CA-OH 3.38Å; Y316-Y342 WeakPolarHBondContact CB-OH 3.43Å; Y316-Y342 PolarHBondContact N-OH 3.21Å; Y316-Y342 PolarHBondContact O-OH 2.98Å
317S91Very high91.9Very high58 Ų5850.1 Ų50.141%0.40628%0.275SS..  trans-66.3151173.467.70000110.4Q319 F320 V321S317-Q319 PolarHBondContact O-N 2.86Å; S317-F320 PolarHBondContact O-N 2.69Å; S317-F320 WeakPolarHBondContact OG-CB 3.36Å; S317-F320 PolarHBondContact OG-N 2.78Å; S317-F320 VanDerWaalsContact OG-N 3.15Å; S317-V321 WeakPolarHBondContact O-CG2 3.32Å; S317-V321 PolarHBondContact O-N 3.09Å
318P92.8Very high92.2Very high99 Ų9950 Ų5064%0.64327%0.274SS*.Hα-helixtrans-53.9-35.6173.4-27.435.6000113.2V321 K322P318-V321 PolarHBondContact O-N 3.05Å; P318-K322 WeakPolarHBondContact O-CB 3.43Å; P318-K322 PolarHBondContact O-N 3.26Å
319Q94.7Very high92.4Very high138 Ų13849.8 Ų49.865%0.64527%0.273SS*.Hα-helixtrans-65.6-42.2177.3-62.179.14.600111.5S317 K322 A323S317-Q319 PolarHBondContact O-N 2.86Å; Q319-K322 PolarHBondContact O-N 3.21Å; Q319-A323 WeakPolarHBondContact O-CB 3.42Å; Q319-A323 PolarHBondContact O-N 3Å
320F94.6Very high92.4Very high54 Ų5450.7 Ų50.724%0.23728%0.278CS..Hα-helixtrans-65.3-45.5176.2-176.9-90.3000111.3A203 M302 V305 Y316 S317 K322 A323 A324A203-F320 HydrophobicContact CB-CE1 3.97Å; A203-F320 HydrophobicContact CB-CE2 3.88Å; A203-F320 HydrophobicContact CB-CZ 3.22Å; M302-F320 HydrophobicContact CE-CE2 4.32Å; M302-F320 HydrophobicContact CE-CZ 4.39Å; M302-F320 HydrophobicContact SD-CE2 4.06Å; M302-F320 HydrophobicContact SD-CZ 3.91Å; V305-F320 HydrophobicContact CG1-CE1 3.8Å; V305-F320 HydrophobicContact CG2-CE1 4.04Å; V305-F320 HydrophobicContact CG2-CZ 4.27Å; Y316-F320 AromaticContact CD1-CD1 3.65Å; Y316-F320 HydrophobicContact CD1-CD1 3.65Å; Y316-F320 AromaticContact CD1-CE1 3.79Å; Y316-F320 HydrophobicContact CD1-CE1 3.79Å; Y316-F320 HydrophobicContact CD1-CG 4.45Å; Y316-F320 HydrophobicContact CD2-CD1 4.44Å; Y316-F320 HydrophobicContact CE1-CD1 4.32Å; Y316-F320 AromaticContact CE1-CE1 3.98Å; Y316-F320 HydrophobicContact CE1-CE1 3.98Å; Y316-F320 AromaticContact CG-CD1 3.72Å; Y316-F320 HydrophobicContact CG-CD1 3.72Å; Y316-F320 HydrophobicContact CG-CE1 4.1Å; S317-F320 PolarHBondContact O-N 2.69Å; S317-F320 WeakPolarHBondContact OG-CB 3.36Å; S317-F320 PolarHBondContact OG-N 2.78Å; S317-F320 VanDerWaalsContact OG-N 3.15Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 2.67Å; F320-A323 PolarHBondContact O-N 3.02Å; F320-A324 PolarHBondContact O-N 3.22Å
321V95.3Very high92.4Very high4 Ų450.7 Ų50.72%0.02428%0.283CS..Hα-helixtrans-58.9-41176.3174.20000111.1Q177 S317 P318 A323 A324 L327 Y342 V345Q177-V321 PolarHBondContact NE2-O 3.32Å; S317-V321 WeakPolarHBondContact O-CG2 3.32Å; S317-V321 PolarHBondContact O-N 3.09Å; P318-V321 PolarHBondContact O-N 3.05Å; V321-A323 VanDerWaalsContact C-N 3.32Å; V321-A323 PolarHBondContact O-N 2.75Å; V321-A324 WeakPolarHBondContact O-CB 3.48Å; V321-A324 PolarHBondContact O-N 3.06Å; V321-L327 HydrophobicContact CG1-CD1 3.7Å; V321-L327 HydrophobicContact CG1-CD2 3.96Å; V321-L327 HydrophobicContact CG1-CG 4.5Å; V321-Y342 HydrophobicContact CG1-CD1 4.41Å; V321-Y342 HydrophobicContact CG2-CD1 4.02Å; V321-Y342 HydrophobicContact CG2-CE1 3.6Å; V321-Y342 HydrophobicContact CG2-CE2 4.36Å; V321-V345 HydrophobicContact CG1-CG1 4.49Å; V321-V345 HydrophobicContact CG1-CG2 4.18Å
322K95.7Very high92.5Very high179 Ų17957.6 Ų57.678%0.77831%0.312SS*.Hα-helixtrans-65.9-33.2175.5-173.9178.4178.2-177.90113P318 Q319 F320P318-K322 WeakPolarHBondContact O-CB 3.43Å; P318-K322 PolarHBondContact O-N 3.26Å; Q319-K322 PolarHBondContact O-N 3.21Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 2.67Å
323A96.3Very high92.7Very high63 Ų6360 Ų6052%0.52132%0.315SS..Hα-helixtrans-81.2-20.5179.800000113.7M302 Q319 F320 V321M302-A323 VanDerWaalsContact CE-C 3.48Å; M302-A323 HydrophobicContact CE-CB 4.19Å; M302-A323 VanDerWaalsContact CE-O 3.23Å; M302-A323 WeakPolarHBondContact CE-O 3.38Å; Q319-A323 WeakPolarHBondContact O-CB 3.42Å; Q319-A323 PolarHBondContact O-N 3Å; F320-A323 PolarHBondContact O-N 3.02Å; V321-A323 VanDerWaalsContact C-N 3.32Å; V321-A323 PolarHBondContact O-N 2.75Å
324A96.9Very high93.1Very high3 Ų359.5 Ų59.53%0.02530%0.302CS..  trans-56140.7175.400000111.3Q177 M302 V305 F320 V321 L327Q177-A324 PolarHBondContact NE2-O 2.88Å; M302-A324 HydrophobicContact CE-CB 4.46Å; V305-A324 HydrophobicContact CB-CB 4.25Å; V305-A324 HydrophobicContact CG2-CB 3.65Å; F320-A324 PolarHBondContact O-N 3.22Å; V321-A324 WeakPolarHBondContact O-CB 3.48Å; V321-A324 PolarHBondContact O-N 3.06Å; A324-L327 HydrophobicContact CB-CD2 3.59Å; A324-L327 HydrophobicContact CB-CG 4.29Å
325K97.9Very high93.6Very high71 Ų7153.3 Ų53.331%0.30928%0.275SS..SBendtrans-84.7-29.5174.3-59.9175.6-176.5165.40111Q177 G178 D300 M302 W303Q177-K325 PolarHBondContact N-O 2.94Å; G178-K325 PolarHBondContact N-O 3.34Å; D300-K325 IonicContact OD2-NZ 3.38Å; D300-K325 PolarHBondContact OD2-NZ 3.14Å; M302-K325 HydrophobicContact CB-CD 4.19Å; M302-K325 HydrophobicContact CB-CG 4.12Å; M302-K325 WeakPolarHBondContact O-CA 3.49Å; M302-K325 WeakPolarHBondContact O-CB 3.48Å; M302-K325 PolarHBondContact O-N 3.34Å; W303-K325 HydrophobicContact CD2-CB 3.69Å; W303-K325 HydrophobicContact CD2-CD 4.01Å; W303-K325 VanDerWaalsContact CE2-CD 3.46Å; W303-K325 HydrophobicContact CE3-CB 3.83Å; W303-K325 HydrophobicContact CG-CB 4.19Å; W303-K325 HydrophobicContact CG-CD 4.17Å; W303-K325 HydrophobicContact CH2-CB 4.22Å; W303-K325 HydrophobicContact CZ2-CB 4.12Å; W303-K325 HydrophobicContact CZ2-CD 3.88Å; W303-K325 HydrophobicContact CZ2-CG 4.48Å; W303-K325 HydrophobicContact CZ3-CB 4.11Å; W303-K325 VanDerWaalsContact NE1-CD 3.35Å
326L98.1Very high94.1Very high0 Ų050.7 Ų50.70%027%0.265CS..EExtended strand (participates in β ladder)trans-146.3134.3175.1-177.1157.1000111M170 V174 I175 V176 V245 M302 W303 V305 H328M170-L326 HydrophobicContact CE-CD1 3.09Å; M170-L326 HydrophobicContact CE-CG 4.42Å; V174-L326 HydrophobicContact CB-CD1 4.49Å; V174-L326 HydrophobicContact CB-CD2 4.12Å; V174-L326 HydrophobicContact CB-CG 4.34Å; V174-L326 HydrophobicContact CG1-CD2 4.08Å; I175-L326 WeakPolarHBondContact O-CA 3.38Å; V176-L326 HydrophobicContact CG2-CD1 4.06Å; V176-L326 HydrophobicContact CG2-CG 4.45Å; V245-L326 HydrophobicContact CG1-CD1 4Å; V245-L326 HydrophobicContact CG2-CD1 3.9Å; V245-L326 HydrophobicContact CG2-CD2 4.04Å; M302-L326 PolarHBondContact O-N 3Å; W303-L326 HydrophobicContact CE3-CB 4.13Å; W303-L326 WeakPolarHBondContact O-CB 3.2Å; W303-L326 WeakPolarHBondContact O-CD1 3.4Å; V305-L326 WeakPolarHBondContact CB-O 3.31Å; V305-L326 PolarHBondContact N-O 2.84Å; L326-H328 HydrophobicContact CD2-CB 3.93Å
327L97.8Very high94.2Very high0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-107.5133.5176-62.5172.8000109.5V174 I175 V305 L308 V321 A324 W329 V345V174-L327 CarbonylContact C-O 3.53Å; V174-L327 VanDerWaalsContact CA-O 3.23Å; V174-L327 WeakPolarHBondContact CA-O 3.47Å; I175-L327 HydrophobicContact CB-CB 4.49Å; I175-L327 PolarHBondContact N-O 3.02Å; I175-L327 PolarHBondContact O-N 2.76Å; V305-L327 HydrophobicContact CB-CD2 4.26Å; V305-L327 HydrophobicContact CG1-CD2 4.24Å; L308-L327 HydrophobicContact CD1-CB 3.7Å; L308-L327 HydrophobicContact CD1-CD2 3.95Å; L308-L327 HydrophobicContact CD1-CG 4.31Å; V321-L327 HydrophobicContact CG1-CD1 3.7Å; V321-L327 HydrophobicContact CG1-CD2 3.96Å; V321-L327 HydrophobicContact CG1-CG 4.5Å; A324-L327 HydrophobicContact CB-CD2 3.59Å; A324-L327 HydrophobicContact CB-CG 4.29Å; L327-W329 HydrophobicContact CB-CE3 4.38Å; L327-W329 HydrophobicContact CB-CH2 3.92Å; L327-W329 HydrophobicContact CB-CZ3 3.58Å; L327-W329 HydrophobicContact CD1-CH2 4.08Å; L327-V345 HydrophobicContact CD1-CG1 3.65Å
328H96.5Very high94Very high0 Ų056.5 Ų56.50%028%0.283CS..EExtended strand (participates in β ladder)trans-129.8116.2-173.4-170.3174000111.5D173 V174 N242 N304 V305 H307 L308 L326 N330D173-H328 IonicContact OD1-CD2 3.86Å; D173-H328 PolarHBondContact OD1-CD2 3.4Å; D173-H328 VanDerWaalsContact OD1-CD2 3.3Å; D173-H328 IonicContact OD1-NE2 2.71Å; D173-H328 PolarHBondContact OD1-NE2 3.42Å; D173-H328 VanDerWaalsContact OD1-NE2 3.12Å; V174-H328 HydrophobicContact CG1-CB 4.29Å; N242-H328 PolarHBondContact OD1-CE1 3.41Å; N304-H328 PolarHBondContact OD1-ND1 2.87Å; V305-H328 PolarHBondContact O-N 3.41Å; H307-H328 PolarHBondContact N-O 2.84Å; L308-H328 WeakPolarHBondContact CB-O 3.48Å; L308-H328 WeakPolarHBondContact CG-O 3.46Å; L308-H328 PolarHBondContact N-O 3.45Å; L326-H328 HydrophobicContact CD2-CB 3.93Å; H328-N330 PolarHBondContact CD2-N 3.08Å; H328-N330 PolarHBondContact O-N 3.3Å; H328-N330 PolarHBondContact O-OD1 2.96Å
329W95.9Very high93.8Very high0 Ų055.8 Ų55.80%028%0.276CS..  trans-87.143.2176.4-74.5-101.3000112.7D173 I175 L308 L327 G331 K334 P335 S341 W346D173-W329 HydrophobicContact CB-CB 4.26Å; D173-W329 PolarHBondContact O-N 2.94Å; I175-W329 HydrophobicContact CB-CZ3 3.99Å; I175-W329 HydrophobicContact CG1-CH2 4.14Å; I175-W329 HydrophobicContact CG1-CZ3 3.7Å; L308-W329 HydrophobicContact CB-CB 4.43Å; L308-W329 HydrophobicContact CB-CD2 3.88Å; L308-W329 HydrophobicContact CB-CG 3.71Å; L308-W329 HydrophobicContact CD1-CD2 4.05Å; L308-W329 HydrophobicContact CD1-CE3 4.19Å; L308-W329 HydrophobicContact CD1-CH2 4.13Å; L308-W329 HydrophobicContact CD1-CZ2 4Å; L308-W329 HydrophobicContact CD1-CZ3 4.21Å; L327-W329 HydrophobicContact CB-CE3 4.38Å; L327-W329 HydrophobicContact CB-CH2 3.92Å; L327-W329 HydrophobicContact CB-CZ3 3.58Å; L327-W329 HydrophobicContact CD1-CH2 4.08Å; W329-G331 PolarHBondContact O-N 3.3Å; W329-K334 PolarHBondContact O-NZ 3.06Å; W329-P335 HydrophobicContact CB-CG 4.47Å; W329-P335 HydrophobicContact CD2-CG 4Å; W329-P335 HydrophobicContact CG-CG 3.99Å; W329-S341 PolarHBondContact NE1-O 3.48Å; W329-W346 HydrophobicContact CH2-CB 3.97Å; W329-W346 HydrophobicContact CZ2-CB 4.05Å
330N90.3Very high93.7Very high19 Ų1949.8 Ų49.810%0.10225%0.25CS..  trans-62.1129.8171.862.7-61.6000110.2R306 H307 G309 S310 H328R306-N330 WeakPolarHBondContact CA-OD1 3.25Å; R306-N330 WeakPolarHBondContact CB-OD1 3.48Å; H307-N330 PolarHBondContact N-OD1 3.45Å; G309-N330 CarbonylContact C-O 3.57Å; G309-N330 WeakPolarHBondContact CA-O 3.41Å; G309-N330 PolarHBondContact N-O 3.33Å; S310-N330 PolarHBondContact N-O 3.02Å; H328-N330 PolarHBondContact CD2-N 3.08Å; H328-N330 PolarHBondContact O-N 3.3Å; H328-N330 PolarHBondContact O-OD1 2.96Å
331G88.4Confident93.6Very high35 Ų3547.3 Ų47.336%0.36124%0.24SC..SBendtrans121.3-169.4-172.800000113.3G309 W329 K334G309-G331 CarbonylContact O-C 3.51Å; G309-G331 VanDerWaalsContact O-C 3.29Å; G309-G331 WeakPolarHBondContact O-CA 3.44Å; W329-G331 PolarHBondContact O-N 3.3Å; G331-K334 WeakPolarHBondContact O-CE 3.49Å; G331-K334 PolarHBondContact O-NZ 3.2Å
332H88.6Confident93.6Very high174 Ų17447.4 Ų47.481%0.80624%0.24SC*.SBendtrans-80.3-30.7-172-63.7-77.7000114.3G309 K334G309-H332 PolarHBondContact O-N 3.13Å; H332-K334 PolarHBondContact O-N 3.32Å; H332-K334 VanDerWaalsContact O-N 3.14Å
333F92.6Very high93.5Very high87 Ų8740.7 Ų40.738%0.38221%0.214SC..  trans-85.589-173.7-63.9-87.9000111G309 A312 T339 A340G309-F333 VanDerWaalsContact CA-O 3.25Å; G309-F333 WeakPolarHBondContact CA-O 3.36Å; G309-F333 WeakPolarHBondContact O-CB 3.39Å; G309-F333 WeakPolarHBondContact O-CD2 3.21Å; G309-F333 PolarHBondContact O-N 3.16Å; A312-F333 HydrophobicContact CB-CD1 4.25Å; A312-F333 HydrophobicContact CB-CE1 4.39Å; F333-T339 WeakPolarHBondContact CD1-O 3.34Å; F333-A340 HydrophobicContact CB-CB 4.4Å
334K95.1Very high93.4Very high31 Ų3141.3 Ų41.314%0.13521%0.208CC..  trans-82.4142.2179.1-57.2-55.1179.7-169.70112.3D173 W329 G331 H332 W336 G337 A340D173-K334 HydrophobicContact CB-CD 4.33Å; D173-K334 IonicContact OD2-NZ 3.97Å; D173-K334 PolarHBondContact OD2-NZ 3.4Å; W329-K334 PolarHBondContact O-NZ 3.06Å; G331-K334 WeakPolarHBondContact O-CE 3.49Å; G331-K334 PolarHBondContact O-NZ 3.2Å; H332-K334 PolarHBondContact O-N 3.32Å; H332-K334 VanDerWaalsContact O-N 3.14Å; K334-W336 HydrophobicContact CB-CD2 3.78Å; K334-W336 VanDerWaalsContact CB-CE2 3.48Å; K334-W336 HydrophobicContact CB-CE3 4.29Å; K334-W336 HydrophobicContact CB-CG 4.22Å; K334-W336 HydrophobicContact CB-CH2 4.35Å; K334-W336 HydrophobicContact CB-CZ2 3.8Å; K334-W336 HydrophobicContact CD-CH2 4.11Å; K334-W336 HydrophobicContact CD-CZ2 3.86Å; K334-W336 HydrophobicContact CG-CH2 4.41Å; K334-W336 HydrophobicContact CG-CZ2 3.74Å; K334-W336 PolarHBondContact O-N 2.91Å; K334-G337 WeakPolarHBondContact O-CA 3.41Å; K334-G337 PolarHBondContact O-N 3.15Å; K334-A340 WeakPolarHBondContact O-CB 3.37Å
335P94.6Very high93.4Very high0 Ų041.8 Ų41.80%021%0.211CC..THydrogen-bonded Turntrans-66.1-21.1-177.824.3-30.6000113.5W329 W346 R362W329-P335 HydrophobicContact CB-CG 4.47Å; W329-P335 HydrophobicContact CD2-CG 4Å; W329-P335 HydrophobicContact CG-CG 3.99Å; P335-W346 HydrophobicContact CB-CB 3.63Å; P335-W346 HydrophobicContact CB-CD2 3.76Å; P335-W346 HydrophobicContact CB-CE3 4.16Å; P335-W346 HydrophobicContact CB-CG 3.49Å; P335-W346 VanDerWaalsContact CB-CG 3.49Å; P335-W346 HydrophobicContact CG-CB 3.96Å; P335-W346 HydrophobicContact CG-CD2 3.68Å; P335-W346 HydrophobicContact CG-CE3 4.47Å; P335-W346 HydrophobicContact CG-CG 3.36Å; P335-R362 VanDerWaalsContact O-CZ 3.3Å; P335-R362 PolarHBondContact O-NH1 2.95Å; P335-R362 PolarHBondContact O-NH2 2.84Å
336W94.7Very high93.4Very high21 Ų2138.4 Ų38.48%0.0820%0.196CC..THydrogen-bonded Turntrans-84.3-7.3170.453.693000114.3R76 G79 D173 K334 W346 F358 L360 I361R76-W336 HydrophobicContact CB-CZ2 4.34Å; R76-W336 HydrophobicContact CG-CZ2 4.27Å; G79-W336 VanDerWaalsContact CA-CZ3 3.49Å; D173-W336 HydrophobicContact CB-CH2 3.71Å; D173-W336 HydrophobicContact CB-CZ3 4.27Å; K334-W336 HydrophobicContact CB-CD2 3.78Å; K334-W336 VanDerWaalsContact CB-CE2 3.48Å; K334-W336 HydrophobicContact CB-CE3 4.29Å; K334-W336 HydrophobicContact CB-CG 4.22Å; K334-W336 HydrophobicContact CB-CH2 4.35Å; K334-W336 HydrophobicContact CB-CZ2 3.8Å; K334-W336 HydrophobicContact CD-CH2 4.11Å; K334-W336 HydrophobicContact CD-CZ2 3.86Å; K334-W336 HydrophobicContact CG-CH2 4.41Å; K334-W336 HydrophobicContact CG-CZ2 3.74Å; K334-W336 PolarHBondContact O-N 2.91Å; W336-W346 HydrophobicContact CB-CH2 4.04Å; W336-W346 HydrophobicContact CB-CZ3 4.37Å; W336-W346 HydrophobicContact CD2-CZ2 4.46Å; W336-W346 AromaticContact CE3-CE2 3.74Å; W336-W346 HydrophobicContact CE3-CH2 4.19Å; W336-W346 AromaticContact CE3-CZ2 3.52Å; W336-W346 HydrophobicContact CE3-CZ2 3.52Å; W336-W346 AromaticContact CE3-NE1 3.98Å; W336-W346 HydrophobicContact CZ3-CZ2 4.1Å; W336-W346 AromaticContact CZ3-NE1 3.87Å; W336-F358 HydrophobicContact CB-CE1 4.18Å; W336-F358 HydrophobicContact CB-CZ 3.71Å; W336-F358 AromaticContact CD1-CZ 3.73Å; W336-F358 AromaticContact CG-CZ 3.74Å; W336-F358 HydrophobicContact CG-CZ 3.74Å; W336-L360 HydrophobicContact CB-CD2 3.86Å; W336-I361 PolarHBondContact O-N 3.49Å; W336-I361 VanDerWaalsContact O-N 3.08Å
337G90.9Very high93.3Very high16 Ų1642 Ų4217%0.16521%0.213CC..SBendtrans-85.4-173174.900000113.6K334 T339 I361 R362K334-G337 WeakPolarHBondContact O-CA 3.41Å; K334-G337 PolarHBondContact O-N 3.15Å; G337-T339 PolarHBondContact O-N 2.71Å; G337-I361 CarbonylContact C-O 3.55Å; G337-R362 PolarHBondContact O-NH1 3.07Å
338R85.9Confident93.3Very high193 Ų19349.2 Ų49.273%0.72825%0.245SC*.SBendtrans-59.5-47.2-173.6-71.8-179.5-179.4-171.60.2114.5I361R338-I361 HydrophobicContact CB-CG2 4.49Å; R338-I361 HydrophobicContact CG-CB 4.34Å; R338-I361 HydrophobicContact CG-CG2 3.48Å; R338-I361 VanDerWaalsContact CG-CG2 3.48Å
339T88.6Confident93.3Very high83 Ų8351.2 Ų51.251%0.50925%0.252SS..SBendtrans-142.2130.5-176.5-44.10000108.4A312 F333 G337A312-T339 HydrophobicContact CB-CG2 3.5Å; F333-T339 WeakPolarHBondContact CD1-O 3.34Å; G337-T339 PolarHBondContact O-N 2.71Å
340A92.6Very high93.4Very high12 Ų1253.2 Ų53.210%0.09926%0.26CS..  trans-154.6164.4174.900000110.5A312 F333 K334 T343A312-A340 CarbonylContact O-C 3.4Å; F333-A340 HydrophobicContact CB-CB 4.4Å; K334-A340 WeakPolarHBondContact O-CB 3.37Å; A340-T343 HydrophobicContact CB-CG2 3.84Å
341S92.8Very high93.7Very high2 Ų253 Ų531%0.01426%0.259CS..THydrogen-bonded Turntrans-74.7146.3172.272.80000110.4L308 A312 G313 W329 T343L308-S341 PolarHBondContact O-OG 2.67Å; A312-S341 WeakPolarHBondContact O-CA 3.49Å; A312-S341 PolarHBondContact O-N 2.97Å; G313-S341 VanDerWaalsContact O-CB 3.27Å; G313-S341 WeakPolarHBondContact O-CB 3.27Å; W329-S341 PolarHBondContact NE1-O 3.48Å; S341-T343 VanDerWaalsContact C-N 3.25Å; S341-T343 PolarHBondContact O-N 2.7Å; S341-T343 VanDerWaalsContact O-N 3.09Å
342Y94.6Very high94.1Very high7 Ų755.6 Ų55.63%0.02727%0.269CS..THydrogen-bonded Turntrans49.636.3174.1-42.7-79.5000115.7L308 K314 R315 Y316 V321 D344 V345 W346L308-Y342 HydrophobicContact CD1-CD2 4.26Å; L308-Y342 HydrophobicContact CD2-CD2 4.15Å; L308-Y342 HydrophobicContact CD2-CE2 3.86Å; K314-Y342 WeakPolarHBondContact CA-OH 3.43Å; K314-Y342 HydrophobicContact CB-CE1 3.73Å; K314-Y342 HydrophobicContact CB-CE2 4.4Å; K314-Y342 HydrophobicContact CD-CD1 3.91Å; K314-Y342 HydrophobicContact CD-CE1 3.8Å; K314-Y342 HydrophobicContact CG-CD1 3.93Å; K314-Y342 HydrophobicContact CG-CE1 3.63Å; K314-Y342 HydrophobicContact CG-CE2 4.41Å; K314-Y342 HydrophobicContact CG-CG 4.43Å; R315-Y342 PolarHBondContact N-OH 3.09Å; Y316-Y342 WeakPolarHBondContact CA-OH 3.38Å; Y316-Y342 WeakPolarHBondContact CB-OH 3.43Å; Y316-Y342 PolarHBondContact N-OH 3.21Å; Y316-Y342 PolarHBondContact O-OH 2.98Å; V321-Y342 HydrophobicContact CG1-CD1 4.41Å; V321-Y342 HydrophobicContact CG2-CD1 4.02Å; V321-Y342 HydrophobicContact CG2-CE1 3.6Å; V321-Y342 HydrophobicContact CG2-CE2 4.36Å; Y342-D344 PolarHBondContact O-N 3.4Å; Y342-V345 WeakPolarHBondContact O-CB 3.3Å; Y342-V345 PolarHBondContact O-N 3.4Å; Y342-W346 PolarHBondContact O-N 2.91Å
343T94.3Very high94.5Very high38 Ų3848 Ų4823%0.23323%0.234CC..Hα-helixtrans-54.4-37.317649.40000111.8A340 S341 V345 W346 E347A340-T343 HydrophobicContact CB-CG2 3.84Å; S341-T343 VanDerWaalsContact C-N 3.25Å; S341-T343 PolarHBondContact O-N 2.7Å; S341-T343 VanDerWaalsContact O-N 3.09Å; T343-V345 PolarHBondContact O-N 3.48Å; T343-W346 PolarHBondContact O-N 3.38Å; T343-W346 VanDerWaalsContact O-N 3.16Å; T343-E347 WeakPolarHBondContact O-CB 3.49Å; T343-E347 VanDerWaalsContact O-CG 3.31Å; T343-E347 WeakPolarHBondContact O-CG 3.43Å; T343-E347 PolarHBondContact O-N 3.31Å
344D94.4Very high94.6Very high75 Ų7547.6 Ų47.640%0.40124%0.241SC..Hα-helixtrans-60.1-27.1176.659.8-69.2000113.9K314 Y342 K348K314-D344 IonicContact NZ-OD1 2.95Å; K314-D344 PolarHBondContact NZ-OD1 3.33Å; K314-D344 IonicContact NZ-OD2 3.94Å; Y342-D344 PolarHBondContact O-N 3.4Å; D344-K348 WeakPolarHBondContact O-CE 3.43Å; D344-K348 WeakPolarHBondContact O-CG 3.31Å
345V96.8Very high94.6Very high14 Ų1449 Ų499%0.08525%0.252CS..Hα-helixtrans-81.9-40.5176.4-179.10000110.7V321 L327 Y342 T343V321-V345 HydrophobicContact CG1-CG1 4.49Å; V321-V345 HydrophobicContact CG1-CG2 4.18Å; L327-V345 HydrophobicContact CD1-CG1 3.65Å; Y342-V345 WeakPolarHBondContact O-CB 3.3Å; Y342-V345 PolarHBondContact O-N 3.4Å; T343-V345 PolarHBondContact O-N 3.48Å
346W97.7Very high94.5Very high0 Ų050.9 Ų50.90%027%0.272CS..Hα-helixtrans-70.4-42.1179.2-176.894.4000112.3G78 A82 I175 W329 P335 W336 Y342 T343 K348 W349 Y350 L360G78-W346 WeakPolarHBondContact O-CZ2 3.37Å; A82-W346 HydrophobicContact CB-CD2 4.48Å; A82-W346 HydrophobicContact CB-CH2 4.22Å; A82-W346 HydrophobicContact CB-CZ2 3.44Å; A82-W346 VanDerWaalsContact CB-CZ2 3.44Å; I175-W346 HydrophobicContact CD1-CG 4.29Å; I175-W346 HydrophobicContact CG1-CB 4.41Å; I175-W346 HydrophobicContact CG1-CG 4.22Å; W329-W346 HydrophobicContact CH2-CB 3.97Å; W329-W346 HydrophobicContact CZ2-CB 4.05Å; P335-W346 HydrophobicContact CB-CB 3.63Å; P335-W346 HydrophobicContact CB-CD2 3.76Å; P335-W346 HydrophobicContact CB-CE3 4.16Å; P335-W346 HydrophobicContact CB-CG 3.49Å; P335-W346 VanDerWaalsContact CB-CG 3.49Å; P335-W346 HydrophobicContact CG-CB 3.96Å; P335-W346 HydrophobicContact CG-CD2 3.68Å; P335-W346 HydrophobicContact CG-CE3 4.47Å; P335-W346 HydrophobicContact CG-CG 3.36Å; W336-W346 HydrophobicContact CB-CH2 4.04Å; W336-W346 HydrophobicContact CB-CZ3 4.37Å; W336-W346 HydrophobicContact CD2-CZ2 4.46Å; W336-W346 AromaticContact CE3-CE2 3.74Å; W336-W346 HydrophobicContact CE3-CH2 4.19Å; W336-W346 AromaticContact CE3-CZ2 3.52Å; W336-W346 HydrophobicContact CE3-CZ2 3.52Å; W336-W346 AromaticContact CE3-NE1 3.98Å; W336-W346 HydrophobicContact CZ3-CZ2 4.1Å; W336-W346 AromaticContact CZ3-NE1 3.87Å; Y342-W346 PolarHBondContact O-N 2.91Å; T343-W346 PolarHBondContact O-N 3.38Å; T343-W346 VanDerWaalsContact O-N 3.16Å; W346-K348 PolarHBondContact O-N 3.46Å; W346-K348 VanDerWaalsContact O-N 3.12Å; W346-W349 PolarHBondContact O-N 3.04Å; W346-Y350 AromaticContact CH2-CD2 3.56Å; W346-Y350 HydrophobicContact CH2-CD2 3.56Å; W346-Y350 HydrophobicContact CH2-CE2 4.39Å; W346-Y350 HydrophobicContact CH2-CG 4.06Å; W346-Y350 AromaticContact CZ3-CD2 3.91Å; W346-Y350 HydrophobicContact CZ3-CD2 3.91Å; W346-Y350 AromaticContact CZ3-CG 3.93Å; W346-Y350 HydrophobicContact CZ3-CG 3.93Å; W346-L360 HydrophobicContact CH2-CD2 3.94Å; W346-L360 HydrophobicContact CZ3-CD2 3.61Å
347E96.5Very high94.5Very high75 Ų7557 Ų5735%0.3530%0.299SS..G310 helixtrans-60.6-24.4-177-79.2175.9-169.300114T343 W349 Y350 L360 R362T343-E347 WeakPolarHBondContact O-CB 3.49Å; T343-E347 VanDerWaalsContact O-CG 3.31Å; T343-E347 WeakPolarHBondContact O-CG 3.43Å; T343-E347 PolarHBondContact O-N 3.31Å; E347-W349 PolarHBondContact O-N 3.43Å; E347-W349 VanDerWaalsContact O-N 3.11Å; E347-Y350 WeakPolarHBondContact O-CB 3.35Å; E347-Y350 PolarHBondContact O-N 2.95Å; E347-Y350 VanDerWaalsContact O-N 3.13Å; E347-L360 HydrophobicContact CG-CD1 4.33Å; E347-R362 IonicContact OE1-CZ 3.08Å; E347-R362 IonicContact OE1-NE 2.7Å; E347-R362 PolarHBondContact OE1-NE 3.49Å; E347-R362 IonicContact OE1-NH2 2.67Å; E347-R362 PolarHBondContact OE1-NH2 2.92Å
348K97.1Very high94.7Very high152 Ų15257.1 Ų57.166%0.66130%0.295SS*.G310 helixtrans-57.6-25.3173.6-66.6174.8-174.2177.70113.1D344 W346D344-K348 WeakPolarHBondContact O-CE 3.43Å; D344-K348 WeakPolarHBondContact O-CG 3.31Å; W346-K348 PolarHBondContact O-N 3.46Å; W346-K348 VanDerWaalsContact O-N 3.12Å
349W97.8Very high95.1Very high42 Ų4252.9 Ų52.916%0.15929%0.286CS..G310 helixtrans-104.6-6.1-176.4-55.2106.1000112.7A82 N85 S86 H89 N90 I175 W346 E347 I351A82-W349 WeakPolarHBondContact CA-O 3.06Å; A82-W349 HydrophobicContact CB-CB 4.19Å; N85-W349 PolarHBondContact ND2-O 3.09Å; S86-W349 VanDerWaalsContact CA-CE3 3.5Å; H89-W349 HydrophobicContact CB-CE3 4.47Å; H89-W349 HydrophobicContact CB-CH2 3.98Å; H89-W349 HydrophobicContact CB-CZ3 3.44Å; H89-W349 VanDerWaalsContact CB-CZ3 3.44Å; H89-W349 AromaticContact CG-CZ3 3.97Å; N90-W349 WeakPolarHBondContact ND2-CH2 3.14Å; N90-W349 VanDerWaalsContact ND2-CZ2 3.26Å; N90-W349 WeakPolarHBondContact ND2-CZ2 3.36Å; I175-W349 HydrophobicContact CD1-CB 3.82Å; I175-W349 HydrophobicContact CD1-CG 3.88Å; I175-W349 VanDerWaalsContact CG2-CD1 3.45Å; I175-W349 HydrophobicContact CG2-CG 4.34Å; I175-W349 VanDerWaalsContact CG2-NE1 3.33Å; W346-W349 PolarHBondContact O-N 3.04Å; E347-W349 PolarHBondContact O-N 3.43Å; E347-W349 VanDerWaalsContact O-N 3.11Å; W349-I351 PolarHBondContact O-N 2.94Å
350Y97.3Very high95.3Very high42 Ų4251 Ų5117%0.16527%0.273CS..  trans-70.6129.7179.3177.1-115.8000111W112 W346 E347 P352 F358 L360W112-Y350 HydrophobicContact CZ2-CE2 4.11Å; W346-Y350 AromaticContact CH2-CD2 3.56Å; W346-Y350 HydrophobicContact CH2-CD2 3.56Å; W346-Y350 HydrophobicContact CH2-CE2 4.39Å; W346-Y350 HydrophobicContact CH2-CG 4.06Å; W346-Y350 AromaticContact CZ3-CD2 3.91Å; W346-Y350 HydrophobicContact CZ3-CD2 3.91Å; W346-Y350 AromaticContact CZ3-CG 3.93Å; W346-Y350 HydrophobicContact CZ3-CG 3.93Å; E347-Y350 WeakPolarHBondContact O-CB 3.35Å; E347-Y350 PolarHBondContact O-N 2.95Å; E347-Y350 VanDerWaalsContact O-N 3.13Å; Y350-P352 HydrophobicContact CE1-CB 4.44Å; Y350-P352 HydrophobicContact CE1-CG 4.25Å; Y350-F358 HydrophobicContact CE2-CD1 4.17Å; Y350-F358 AromaticContact CE2-CE1 4Å; Y350-F358 HydrophobicContact CE2-CE1 4Å; Y350-L360 HydrophobicContact CD1-CD1 3.6Å; Y350-L360 HydrophobicContact CD1-CD2 4.24Å; Y350-L360 HydrophobicContact CD1-CG 4.01Å; Y350-L360 HydrophobicContact CD2-CD2 4Å; Y350-L360 HydrophobicContact CE1-CD1 3.67Å; Y350-L360 HydrophobicContact CE1-CD2 4.09Å; Y350-L360 HydrophobicContact CE1-CG 3.65Å; Y350-L360 HydrophobicContact CE2-CD2 3.84Å; Y350-L360 HydrophobicContact CE2-CG 4.28Å; Y350-L360 HydrophobicContact CG-CD1 4.16Å; Y350-L360 HydrophobicContact CG-CD2 4.18Å; Y350-L360 HydrophobicContact CG-CG 4.46Å
351I96.8Very high95.1Very high14 Ų1454.9 Ų54.97%0.07229%0.291CS..  trans-110.4124.6170.4-63.4171.5000106.3I81 N85 W112 L118 W349I81-I351 HydrophobicContact CG2-CB 4Å; I81-I351 HydrophobicContact CG2-CD1 4.22Å; I81-I351 HydrophobicContact CG2-CG1 4.46Å; N85-I351 HydrophobicContact CB-CD1 4.01Å; W112-I351 WeakPolarHBondContact CZ2-O 3.36Å; W112-I351 PolarHBondContact NE1-O 2.9Å; W112-I351 VanDerWaalsContact NE1-O 3.08Å; L118-I351 HydrophobicContact CD1-CD1 4.07Å; L118-I351 HydrophobicContact CD2-CD1 3.5Å; L118-I351 VanDerWaalsContact CD2-CD1 3.5Å; L118-I351 HydrophobicContact CG-CD1 3.67Å; W349-I351 PolarHBondContact O-N 2.94Å
352P96.3Very high94.8Very high90 Ų9058.6 Ų58.658%0.58431%0.305SS*.  trans-55.2142.5178.7-26.935.4000113.3W112 Y350 P354W112-P352 PolarHBondContact NE1-O 3.05Å; Y350-P352 HydrophobicContact CE1-CB 4.44Å; Y350-P352 HydrophobicContact CE1-CG 4.25Å; P352-P354 WeakPolarHBondContact O-CD 3.38Å
353D96.6Very high93.3Very high13 Ų1368.3 Ų68.37%0.0734%0.341CS..  trans-67.8119.6172.8174.36.4000110.2H108 W112 T355 G356 K357 F358H108-D353 IonicContact CD2-OD1 2.68Å; H108-D353 IonicContact CE1-OD2 3.36Å; H108-D353 IonicContact NE2-OD1 3.83Å; H108-D353 PolarHBondContact NE2-OD1 3.35Å; H108-D353 IonicContact NE2-OD2 3.12Å; H108-D353 PolarHBondContact NE2-OD2 3.29Å; W112-D353 HydrophobicContact CD2-CB 4.21Å; W112-D353 VanDerWaalsContact CE2-CA 3.48Å; W112-D353 HydrophobicContact CE3-CB 4.16Å; W112-D353 HydrophobicContact CH2-CB 3.69Å; W112-D353 HydrophobicContact CZ2-CB 3.69Å; W112-D353 HydrophobicContact CZ3-CB 3.91Å; D353-T355 VanDerWaalsContact CG-OG1 3.31Å; D353-T355 PolarHBondContact O-N 3.38Å; D353-T355 WeakPolarHBondContact OD1-CB 3.35Å; D353-T355 PolarHBondContact OD1-N 2.96Å; D353-T355 PolarHBondContact OD1-OG1 2.85Å; D353-T355 PolarHBondContact OD2-OG1 2.94Å; D353-G356 PolarHBondContact O-N 3.5Å; D353-G356 PolarHBondContact OD2-N 3.35Å; D353-K357 WeakPolarHBondContact OD2-CA 3.26Å; D353-K357 PolarHBondContact OD2-N 3.3Å; D353-F358 HydrophobicContact CB-CB 4.07Å; D353-F358 WeakPolarHBondContact CB-O 3.44Å; D353-F358 PolarHBondContact OD2-N 3.29Å
354P95.3Very high91.3Very high80 Ų8076.9 Ų76.952%0.51937%0.371SS..THydrogen-bonded Turntrans-66.2-17.7179.928.2-35.3000113.6P352P352-P354 WeakPolarHBondContact O-CD 3.38Å
355T94.4Very high88.9Confident60 Ų6079.3 Ų79.337%0.36839%0.389SS..THydrogen-bonded Turntrans-92.9-13.6178.476.80000113.2H108 D353 K357H108-T355 PolarHBondContact CD2-OG1 2.91Å; H108-T355 PolarHBondContact NE2-OG1 3.02Å; D353-T355 VanDerWaalsContact CG-OG1 3.31Å; D353-T355 PolarHBondContact O-N 3.38Å; D353-T355 WeakPolarHBondContact OD1-CB 3.35Å; D353-T355 PolarHBondContact OD1-N 2.96Å; D353-T355 PolarHBondContact OD1-OG1 2.85Å; D353-T355 PolarHBondContact OD2-OG1 2.94Å; T355-K357 PolarHBondContact O-N 3.48Å; T355-K357 WeakPolarHBondContact OG1-CG 3.47Å; T355-K357 PolarHBondContact OG1-N 3.35Å
356G94Very high86.1Confident40 Ų4086.6 Ų86.641%0.41242%0.422SS..SBendtrans69.111.7-177.500000115.2D353 N359D353-G356 PolarHBondContact O-N 3.5Å; D353-G356 PolarHBondContact OD2-N 3.35Å; G356-N359 PolarHBondContact O-ND2 3.25Å
357K94.1Very high83.4Confident150 Ų15093.1 Ų93.165%0.65246%0.455SS*.SBendtrans-74.5-38.7177-71.5177.9177.9-178.40111.9D353 T355D353-K357 WeakPolarHBondContact OD2-CA 3.26Å; D353-K357 PolarHBondContact OD2-N 3.3Å; T355-K357 PolarHBondContact O-N 3.48Å; T355-K357 WeakPolarHBondContact OG1-CG 3.47Å; T355-K357 PolarHBondContact OG1-N 3.35Å
358F95.6Very high80.6Confident17 Ų1793.4 Ų93.48%0.07547%0.466CS..SBendtrans-98.5126.3173.8-173.5-79.4000110.3W112 W336 Y350 D353 L360W112-F358 HydrophobicContact CH2-CB 3.72Å; W112-F358 AromaticContact CH2-CD1 3.65Å; W112-F358 HydrophobicContact CH2-CD1 3.65Å; W112-F358 HydrophobicContact CH2-CE1 4.42Å; W112-F358 AromaticContact CH2-CG 3.73Å; W112-F358 HydrophobicContact CH2-CG 3.73Å; W112-F358 HydrophobicContact CZ3-CB 3.77Å; W112-F358 HydrophobicContact CZ3-CD1 4.45Å; W112-F358 HydrophobicContact CZ3-CG 4.08Å; W336-F358 HydrophobicContact CB-CE1 4.18Å; W336-F358 HydrophobicContact CB-CZ 3.71Å; W336-F358 AromaticContact CD1-CZ 3.73Å; W336-F358 AromaticContact CG-CZ 3.74Å; W336-F358 HydrophobicContact CG-CZ 3.74Å; Y350-F358 HydrophobicContact CE2-CD1 4.17Å; Y350-F358 AromaticContact CE2-CE1 4Å; Y350-F358 HydrophobicContact CE2-CE1 4Å; D353-F358 HydrophobicContact CB-CB 4.07Å; D353-F358 WeakPolarHBondContact CB-O 3.44Å; D353-F358 PolarHBondContact OD2-N 3.29Å; F358-L360 HydrophobicContact CE1-CD2 4.2Å
359N93Very high78.1Confident104 Ų10493.3 Ų93.356%0.55647%0.473SS*.  trans-135.5145.5176.3-66.2-76.8000110.6G356 I361G356-N359 PolarHBondContact O-ND2 3.25Å; N359-I361 PolarHBondContact O-N 3.08Å
360L93.3Very high75.5Confident45 Ų4598.4 Ų98.424%0.23650%0.501CS..  trans-64.9130.3170.7-57.1-176.3000109.5W336 W346 E347 Y350 F358 R362W336-L360 HydrophobicContact CB-CD2 3.86Å; W346-L360 HydrophobicContact CH2-CD2 3.94Å; W346-L360 HydrophobicContact CZ3-CD2 3.61Å; E347-L360 HydrophobicContact CG-CD1 4.33Å; Y350-L360 HydrophobicContact CD1-CD1 3.6Å; Y350-L360 HydrophobicContact CD1-CD2 4.24Å; Y350-L360 HydrophobicContact CD1-CG 4.01Å; Y350-L360 HydrophobicContact CD2-CD2 4Å; Y350-L360 HydrophobicContact CE1-CD1 3.67Å; Y350-L360 HydrophobicContact CE1-CD2 4.09Å; Y350-L360 HydrophobicContact CE1-CG 3.65Å; Y350-L360 HydrophobicContact CE2-CD2 3.84Å; Y350-L360 HydrophobicContact CE2-CG 4.28Å; Y350-L360 HydrophobicContact CG-CD1 4.16Å; Y350-L360 HydrophobicContact CG-CD2 4.18Å; Y350-L360 HydrophobicContact CG-CG 4.46Å; F358-L360 HydrophobicContact CE1-CD2 4.2Å; L360-R362 HydrophobicContact CB-CG 4.25Å; L360-R362 PolarHBondContact O-N 3.14Å
361I88.9Confident72.6Confident93 Ų93109.5 Ų109.548%0.47755%0.55SS.*  trans-88.4107.5173.9-50.8177.1000107.3W336 G337 R338 N359W336-I361 PolarHBondContact O-N 3.49Å; W336-I361 VanDerWaalsContact O-N 3.08Å; G337-I361 CarbonylContact C-O 3.55Å; R338-I361 HydrophobicContact CB-CG2 4.49Å; R338-I361 HydrophobicContact CG-CB 4.34Å; R338-I361 HydrophobicContact CG-CG2 3.48Å; R338-I361 VanDerWaalsContact CG-CG2 3.48Å; N359-I361 PolarHBondContact O-N 3.08Å
362R86Confident71.4Confident79 Ų79114.3 Ų114.330%0.29857%0.574SS.*  trans-121143.6177.2-59.7-63.6176-106.77.2110P335 G337 E347 L360P335-R362 VanDerWaalsContact O-CZ 3.3Å; P335-R362 PolarHBondContact O-NH1 2.95Å; P335-R362 PolarHBondContact O-NH2 2.84Å; G337-R362 PolarHBondContact O-NH1 3.07Å; E347-R362 IonicContact OE1-CZ 3.08Å; E347-R362 IonicContact OE1-NE 2.7Å; E347-R362 PolarHBondContact OE1-NE 3.49Å; E347-R362 IonicContact OE1-NH2 2.67Å; E347-R362 PolarHBondContact OE1-NH2 2.92Å; L360-R362 HydrophobicContact CB-CG 4.25Å; L360-R362 PolarHBondContact O-N 3.14Å
363R63.8Low70.1Confident211 Ų211115.5 Ų115.580%0.79657%0.574SS**  trans-76.5124159.6-77.1-170.1-178.4-172.20.5106.7T365R363-T365 PolarHBondContact O-N 3.44Å
364Y51.4Low68.6Low219 Ų219121.2 Ų121.286%0.85960%0.602SS**  trans-61.7107156-78.3-89000106.4E366Y364-E366 PolarHBondContact O-N 2.83Å
365T43.8Very low67.1Low126 Ų126123.6 Ų123.677%0.77361%0.606SS**  trans-67.890.4150.519.10000105.3R363 I367R363-T365 PolarHBondContact O-N 3.44Å; T365-I367 PolarHBondContact O-N 3.47Å
366E38.6Very low65.4Low167 Ų167127.6 Ų127.678%0.7862%0.621SS**  trans-58.393.5154.7-76.2-176.117100106.3Y364 S368Y364-E366 PolarHBondContact O-N 2.83Å; E366-S368 PolarHBondContact O-N 3.48Å; E366-S368 VanDerWaalsContact O-N 3.07Å
367I40.6Very low63.5Low136 Ų136133.5 Ų133.570%0.69764%0.635SS**  trans-74.286.7150.2-60.4172.9000103.2T365 N369T365-I367 PolarHBondContact O-N 3.47Å; I367-N369 PolarHBondContact O-N 2.98Å
368S38.1Very low61.3Low81 Ų81132.3 Ų132.357%0.56663%0.634SS**  trans-60.589.416041.50000106.9E366 I370E366-S368 PolarHBondContact O-N 3.48Å; E366-S368 VanDerWaalsContact O-N 3.07Å; S368-I370 PolarHBondContact O-N 2.92Å
369N43.8Very low58.6Low151 Ų151141.2 Ų141.281%0.80768%0.677SS**  trans-62.179.5150.6-80.2-22.8000106.7I367I367-N369 PolarHBondContact O-N 2.98Å
370I43.4Very low55.8Low149 Ų149144.3 Ų144.376%0.76469%0.687SS**  trans-89104.1159.6-66.4168.7000105.2S368S368-I370 PolarHBondContact O-N 2.92Å
371K37.6Very low52.4Low274 Ų274153.3 Ų153.3100%1.19173%0.728SS**  trans6.30159.2-73.5179.6174.3179.30118.7

Retrieved 371 of 371 residues in 1441.2 ms (Link to these results)

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