A0A060WVF9_ONCMY Loading...

Beta-1,4-galactosyltransferase

Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids.

AlphaFold DB , UniProt , Accession A0A060WVF9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 355 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
1M43.1Very low54.7Low247 Ų247111.7 Ų111.7100%1.21766%0.657SS**  0101.90-73-173-87.400108
2G47.8Very low55.4Low80 Ų80116.3 Ų116.383%0.82565%0.654SS**PPolyproline II helixtrans-76.1134.2-177.100000111.3C4G2-C4 PolarHBondContact O-N 3.06Å
3V51.8Low56.4Low120 Ų120118.7 Ų118.773%0.72765%0.654SS**PPolyproline II helixtrans-65.1126.3176.7-1770000108.8V7V3-V7 HydrophobicContact CG1-CB 4.34Å; V3-V7 HydrophobicContact CG1-CG1 4.43Å
4C50.6Low57.4Low77 Ų77114.1 Ų114.152%0.5263%0.633SS.*PPolyproline II helixtrans-55.3132.9-174.3-159.60000111.8G2 A6 V7G2-C4 PolarHBondContact O-N 3.06Å; C4-A6 PolarHBondContact O-N 3.1Å; C4-V7 HydrophobicContact CB-CG2 4.3Å; C4-V7 PolarHBondContact O-N 2.92Å
5P57.1Low58.3Low101 Ų101116.3 Ų116.366%0.65663%0.634SS**Hα-helixtrans-56.5-27.3-175-26.634.6000114.9V7 M9P5-V7 VanDerWaalsContact C-N 3.35Å; P5-V7 PolarHBondContact O-N 3.27Å; P5-M9 PolarHBondContact O-N 3.31Å
6A55.4Low59.5Low65 Ų65118.1 Ų118.154%0.53763%0.63SS.*Hα-helixtrans-67.2-33.2178.700000113.1C4 F10C4-A6 PolarHBondContact O-N 3.1Å; A6-F10 PolarHBondContact O-N 3.46Å
7V56.5Low60.5Low65 Ų65117.9 Ų117.939%0.39463%0.626SS.*Hα-helixtrans-72-38.8-178.5179.70000110.4V3 C4 P5 M9 F10 F11V3-V7 HydrophobicContact CG1-CB 4.34Å; V3-V7 HydrophobicContact CG1-CG1 4.43Å; C4-V7 HydrophobicContact CB-CG2 4.3Å; C4-V7 PolarHBondContact O-N 2.92Å; P5-V7 VanDerWaalsContact C-N 3.35Å; P5-V7 PolarHBondContact O-N 3.27Å; V7-M9 PolarHBondContact O-N 2.85Å; V7-F10 PolarHBondContact O-N 3.03Å; V7-F11 HydrophobicContact CG1-CD2 3.81Å; V7-F11 HydrophobicContact CG1-CE2 3.57Å; V7-F11 WeakPolarHBondContact O-CD2 3.48Å; V7-F11 PolarHBondContact O-N 3.09Å; V7-F11 VanDerWaalsContact O-N 3.15Å
8S56.9Low61.7Low79 Ų79117.1 Ų117.155%0.55262%0.62SS**Hα-helixtrans-62.8-41.4176.7176.60000112.9R12S8-R12 PolarHBondContact O-N 3.22Å; S8-R12 VanDerWaalsContact O-N 3.13Å
9M56.5Low62.6Low122 Ų122116.4 Ų116.460%0.60162%0.617SS**Hα-helixtrans-67.2-36.1176.2-76.8-157.5-74.300112.8P5 V7 R12 K13P5-M9 PolarHBondContact O-N 3.31Å; V7-M9 PolarHBondContact O-N 2.85Å; M9-R12 PolarHBondContact O-N 3.36Å; M9-K13 WeakPolarHBondContact O-CG 3.24Å; M9-K13 PolarHBondContact O-N 2.73Å
10F64.5Low63.7Low141 Ų141115.9 Ų115.962%0.61861%0.613SS**Hα-helixtrans-65-44.8177.7-167.9-98.2000111.8A6 V7 R12 K13 C14A6-F10 PolarHBondContact O-N 3.46Å; V7-F10 PolarHBondContact O-N 3.03Å; F10-R12 VanDerWaalsContact C-N 3.31Å; F10-R12 PolarHBondContact O-N 2.71Å; F10-K13 PolarHBondContact O-N 3.34Å; F10-C14 PolarHBondContact O-N 2.83Å
11F61.2Low64.7Low132 Ų132116 Ų11658%0.57961%0.614SS**Hα-helixtrans-63.7-35175-81.6-72000113V7 K15V7-F11 HydrophobicContact CG1-CD2 3.81Å; V7-F11 HydrophobicContact CG1-CE2 3.57Å; V7-F11 WeakPolarHBondContact O-CD2 3.48Å; V7-F11 PolarHBondContact O-N 3.09Å; V7-F11 VanDerWaalsContact O-N 3.15Å; F11-K15 WeakPolarHBondContact O-CG 3.42Å; F11-K15 PolarHBondContact O-N 3.45Å; F11-K15 VanDerWaalsContact O-N 3.12Å
12R63.2Low66.5Low166 Ų166109 Ų10963%0.62658%0.581SS**Hα-helixtrans-68.1-43.6176.3-134.1174.9-177.7177.8-0.1111.3S8 M9 F10 K15 Y16S8-R12 PolarHBondContact O-N 3.22Å; S8-R12 VanDerWaalsContact O-N 3.13Å; M9-R12 PolarHBondContact O-N 3.36Å; F10-R12 VanDerWaalsContact C-N 3.31Å; F10-R12 PolarHBondContact O-N 2.71Å; R12-K15 PolarHBondContact O-N 2.03Å; R12-Y16 HydrophobicContact CG-CE2 4.08Å; R12-Y16 WeakPolarHBondContact O-CD2 3.34Å; R12-Y16 PolarHBondContact O-N 3.48Å
13K68.6Low68.1Low148 Ų148107.9 Ų107.964%0.64356%0.56SS**Hα-helixtrans-64.4-41175.8-72.6-175.7178.1-1740112.3M9 F10 K15 Y16 M17M9-K13 WeakPolarHBondContact O-CG 3.24Å; M9-K13 PolarHBondContact O-N 2.73Å; F10-K13 PolarHBondContact O-N 3.34Å; K13-K15 PolarHBondContact O-N 3.26Å; K13-Y16 PolarHBondContact O-N 3.27Å; K13-M17 WeakPolarHBondContact O-CG 3.26Å; K13-M17 PolarHBondContact O-N 3.05Å
14C70.9Confident69.5Low55 Ų55106.2 Ų106.237%0.37255%0.55SS.*Hα-helixtrans-60.4-41.7173.8-94.60000112.8F10 Y16 M17 I18F10-C14 PolarHBondContact O-N 2.83Å; C14-Y16 PolarHBondContact O-N 2.57Å; C14-M17 PolarHBondContact O-N 2.74Å; C14-I18 VanDerWaalsContact O-CG1 3.31Å; C14-I18 WeakPolarHBondContact O-CG1 3.31Å; C14-I18 PolarHBondContact O-N 2.94Å
15K70.8Confident70.9Confident146 Ų146105.5 Ų105.564%0.63555%0.546SS*.Hα-helixtrans-62.6-41177-76.9-178.7176.8-176.30112.6F11 R12 K13 I18 L19F11-K15 WeakPolarHBondContact O-CG 3.42Å; F11-K15 PolarHBondContact O-N 3.45Å; F11-K15 VanDerWaalsContact O-N 3.12Å; R12-K15 PolarHBondContact O-N 2.03Å; K13-K15 PolarHBondContact O-N 3.26Å; K15-I18 PolarHBondContact O-N 2.99Å; K15-L19 WeakPolarHBondContact O-CG 3.31Å; K15-L19 PolarHBondContact O-N 2.92Å; K15-L19 VanDerWaalsContact O-N 3.07Å
16Y77.5Confident71.8Confident146 Ų146104.4 Ų104.457%0.57354%0.537SS*.Hα-helixtrans-68.2-37.4176.3-72.2-64.6000112.6R12 K13 C14 L19 L20R12-Y16 HydrophobicContact CG-CE2 4.08Å; R12-Y16 WeakPolarHBondContact O-CD2 3.34Å; R12-Y16 PolarHBondContact O-N 3.48Å; K13-Y16 PolarHBondContact O-N 3.27Å; C14-Y16 PolarHBondContact O-N 2.57Å; Y16-L19 PolarHBondContact O-N 2.82Å; Y16-L20 WeakPolarHBondContact O-CB 3.08Å; Y16-L20 PolarHBondContact O-N 3.47Å
17M76.8Confident72.7Confident115 Ų115106.9 Ų106.957%0.56754%0.541SS*.Hα-helixtrans-65.2-39.1175.3-69.5-60.6-65.400112.3K13 C14 L20 L21K13-M17 WeakPolarHBondContact O-CG 3.26Å; K13-M17 PolarHBondContact O-N 3.05Å; C14-M17 PolarHBondContact O-N 2.74Å; M17-L20 PolarHBondContact O-N 3.13Å; M17-L21 WeakPolarHBondContact O-CG 3.08Å; M17-L21 PolarHBondContact O-N 3.5Å
18I81.7Confident73.5Confident102 Ų102106.4 Ų106.452%0.52354%0.544SS..Hα-helixtrans-65.1-43.4175-68165.7000110.8C14 K15 L20 L21 L22C14-I18 VanDerWaalsContact O-CG1 3.31Å; C14-I18 WeakPolarHBondContact O-CG1 3.31Å; C14-I18 PolarHBondContact O-N 2.94Å; K15-I18 PolarHBondContact O-N 2.99Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.13Å; I18-L21 PolarHBondContact O-N 3.49Å; I18-L22 HydrophobicContact CG2-CD1 4.06Å; I18-L22 WeakPolarHBondContact O-CG 3.47Å; I18-L22 PolarHBondContact O-N 2.89Å
19L78.9Confident74.2Confident105 Ų105110.1 Ų110.155%0.5555%0.546SS..Hα-helixtrans-62.8-37.6176.1-78.6164000112.4K15 Y16 L22 S23K15-L19 WeakPolarHBondContact O-CG 3.31Å; K15-L19 PolarHBondContact O-N 2.92Å; K15-L19 VanDerWaalsContact O-N 3.07Å; Y16-L19 PolarHBondContact O-N 2.82Å; L19-L22 PolarHBondContact O-N 3.37Å; L19-S23 PolarHBondContact O-N 3.49Å; L19-S23 PolarHBondContact O-OG 2.96Å
20L84Confident74.9Confident106 Ų106111.2 Ų111.256%0.55554%0.544SS*.Hα-helixtrans-69.4-37.6177.4-153.6113000112Y16 M17 I18 S23 V24Y16-L20 WeakPolarHBondContact O-CB 3.08Å; Y16-L20 PolarHBondContact O-N 3.47Å; M17-L20 PolarHBondContact O-N 3.13Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.13Å; L20-S23 PolarHBondContact O-N 3.42Å; L20-S23 PolarHBondContact O-OG 3.12Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.22Å; L20-V24 PolarHBondContact O-N 3.37Å
21L84.7Confident75Confident118 Ų118108.2 Ų108.262%0.61855%0.546SS*.Hα-helixtrans-67-37.4173.9-73.4166.2000111.9M17 I18 S25M17-L21 WeakPolarHBondContact O-CG 3.08Å; M17-L21 PolarHBondContact O-N 3.5Å; I18-L21 PolarHBondContact O-N 3.49Å; L21-S25 WeakPolarHBondContact O-CB 3.43Å; L21-S25 PolarHBondContact O-N 2.91Å; L21-S25 PolarHBondContact O-OG 3.07Å
22L81.5Confident75Confident100 Ų100107 Ų10752%0.52455%0.549SS..Hα-helixtrans-67.9-38.3174.8-71.7170.2000112.1I18 L19 S25 V26I18-L22 HydrophobicContact CG2-CD1 4.06Å; I18-L22 WeakPolarHBondContact O-CG 3.47Å; I18-L22 PolarHBondContact O-N 2.89Å; L19-L22 PolarHBondContact O-N 3.37Å; L22-S25 WeakPolarHBondContact CA-OG 3.28Å; L22-S25 PolarHBondContact O-OG 3.41Å; L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.46Å; L22-V26 PolarHBondContact O-N 3.23Å; L22-V26 VanDerWaalsContact O-N 3.13Å
23S80.2Confident74.5Confident57 Ų57106.8 Ų106.840%0.39955%0.553SS.*Hα-helixtrans-70.3-40.4177.266.50000112.4L19 L20 S25 V26 L27L19-S23 PolarHBondContact O-N 3.49Å; L19-S23 PolarHBondContact O-OG 2.96Å; L20-S23 PolarHBondContact O-N 3.42Å; L20-S23 PolarHBondContact O-OG 3.12Å; S23-S25 PolarHBondContact O-N 3.03Å; S23-V26 PolarHBondContact O-N 3.49Å; S23-L27 WeakPolarHBondContact O-CG 3.33Å; S23-L27 PolarHBondContact O-N 3.49Å
24V82.9Confident73.5Confident84 Ų84104.1 Ų104.151%0.50955%0.553SS.*Hα-helixtrans-65.9-37.5177173.30000111.6L20 L27 A28L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.22Å; L20-V24 PolarHBondContact O-N 3.37Å; V24-L27 PolarHBondContact O-N 3.13Å; V24-A28 WeakPolarHBondContact O-CB 3.44Å; V24-A28 PolarHBondContact O-N 2.97Å
25S78.8Confident72.2Confident63 Ų63104.5 Ų104.544%0.44157%0.566SS.*Hα-helixtrans-68.1-36.2175.447.40000112.9L21 L22 S23 A28 W29L21-S25 WeakPolarHBondContact O-CB 3.43Å; L21-S25 PolarHBondContact O-N 2.91Å; L21-S25 PolarHBondContact O-OG 3.07Å; L22-S25 WeakPolarHBondContact CA-OG 3.28Å; L22-S25 PolarHBondContact O-OG 3.41Å; S23-S25 PolarHBondContact O-N 3.03Å; S25-A28 PolarHBondContact O-N 3.34Å; S25-W29 WeakPolarHBondContact O-CB 3.3Å; S25-W29 PolarHBondContact O-N 3Å
26V75.9Confident70.7Confident77 Ų77106.6 Ų106.647%0.46758%0.579SS.*Hα-helixtrans-65.9-40.6172.1171.80000111.5L22 S23 W29 Y30L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.46Å; L22-V26 PolarHBondContact O-N 3.23Å; L22-V26 VanDerWaalsContact O-N 3.13Å; S23-V26 PolarHBondContact O-N 3.49Å; V26-W29 PolarHBondContact O-N 2.95Å; V26-Y30 HydrophobicContact CG1-CD2 4.04Å; V26-Y30 HydrophobicContact CG1-CE2 4.2Å; V26-Y30 WeakPolarHBondContact O-CD2 3.32Å; V26-Y30 PolarHBondContact O-N 2.78Å
27L75.6Confident68.7Low117 Ų117105.8 Ų105.861%0.61359%0.589SS**Hα-helixtrans-67.2-39.3176.5-70.2171.8000112.3S23 V24 W29 Y30 A31S23-L27 WeakPolarHBondContact O-CG 3.33Å; S23-L27 PolarHBondContact O-N 3.49Å; V24-L27 PolarHBondContact O-N 3.13Å; L27-W29 VanDerWaalsContact C-N 3.32Å; L27-W29 PolarHBondContact O-N 3.38Å; L27-Y30 PolarHBondContact O-N 3.15Å; L27-A31 WeakPolarHBondContact O-CB 3.43Å; L27-A31 PolarHBondContact O-N 3.03Å
28A72.4Confident66.6Low55 Ų55106.7 Ų106.746%0.45560%0.6SS.*Hα-helixtrans-64.6-35.817300000112.2V24 S25 A31 T32V24-A28 WeakPolarHBondContact O-CB 3.44Å; V24-A28 PolarHBondContact O-N 2.97Å; S25-A28 PolarHBondContact O-N 3.34Å; A28-A31 PolarHBondContact O-N 2.95Å; A28-T32 WeakPolarHBondContact O-CB 3.35Å; A28-T32 WeakPolarHBondContact O-CG2 3.37Å; A28-T32 PolarHBondContact O-N 3.29Å; A28-T32 PolarHBondContact O-OG1 2.97Å
29W71.3Confident64.1Low157 Ų157111.6 Ų111.660%0.59562%0.618SS**Hα-helixtrans-66.8-41.4174-171.260.2000112.2S25 V26 L27 T32 F33S25-W29 WeakPolarHBondContact O-CB 3.3Å; S25-W29 PolarHBondContact O-N 3Å; V26-W29 PolarHBondContact O-N 2.95Å; L27-W29 VanDerWaalsContact C-N 3.32Å; L27-W29 PolarHBondContact O-N 3.38Å; W29-T32 WeakPolarHBondContact CA-OG1 3.47Å; W29-T32 PolarHBondContact O-N 2.99Å; W29-T32 PolarHBondContact O-OG1 3.29Å; W29-T32 VanDerWaalsContact O-OG1 3.05Å; W29-F33 AromaticContact NE1-CD2 3.71Å; W29-F33 AromaticContact NE1-CE2 3.84Å; W29-F33 PolarHBondContact O-N 2.79Å; W29-F33 VanDerWaalsContact O-N 3.15Å
30Y70.7Confident61.7Low146 Ų146110.6 Ų110.657%0.57363%0.625SS**Hα-helixtrans-64.2-41.3173.4-96.7-81.2000112.7V26 L27 T32 F33 S34V26-Y30 HydrophobicContact CG1-CD2 4.04Å; V26-Y30 HydrophobicContact CG1-CE2 4.2Å; V26-Y30 WeakPolarHBondContact O-CD2 3.32Å; V26-Y30 PolarHBondContact O-N 2.78Å; L27-Y30 PolarHBondContact O-N 3.15Å; Y30-T32 VanDerWaalsContact C-N 3.32Å; Y30-T32 PolarHBondContact O-N 2.86Å; Y30-F33 PolarHBondContact O-N 3.18Å; Y30-S34 WeakPolarHBondContact O-CB 3.47Å; Y30-S34 PolarHBondContact O-N 2.71Å; Y30-S34 PolarHBondContact O-OG 2.79Å
31A67.6Low59.2Low78 Ų78113.3 Ų113.365%0.64564%0.638SS**Hα-helixtrans-67.4-31.5178.600000112.9L27 A28L27-A31 WeakPolarHBondContact O-CB 3.43Å; L27-A31 PolarHBondContact O-N 3.03Å; A28-A31 PolarHBondContact O-N 2.95Å
32T60.2Low56.3Low106 Ų106116.8 Ų116.865%0.6565%0.651SS**Hα-helixtrans-81.6-24.3178.9460000113.5A28 W29 Y30A28-T32 WeakPolarHBondContact O-CB 3.35Å; A28-T32 WeakPolarHBondContact O-CG2 3.37Å; A28-T32 PolarHBondContact O-N 3.29Å; A28-T32 PolarHBondContact O-OG1 2.97Å; W29-T32 WeakPolarHBondContact CA-OG1 3.47Å; W29-T32 PolarHBondContact O-N 2.99Å; W29-T32 PolarHBondContact O-OG1 3.29Å; W29-T32 VanDerWaalsContact O-OG1 3.05Å; Y30-T32 VanDerWaalsContact C-N 3.32Å; Y30-T32 PolarHBondContact O-N 2.86Å
33F54.6Low53.7Low161 Ų161114.9 Ų114.971%0.70666%0.656SS**Hα-helixtrans-100.7-6.9-179.4-99.6-89.5000115.7W29 Y30 G35W29-F33 AromaticContact NE1-CD2 3.71Å; W29-F33 AromaticContact NE1-CE2 3.84Å; W29-F33 PolarHBondContact O-N 2.79Å; W29-F33 VanDerWaalsContact O-N 3.15Å; Y30-F33 PolarHBondContact O-N 3.18Å; F33-G35 VanDerWaalsContact C-N 3.32Å
34S47.1Very low51.1Low92 Ų92118.7 Ų118.764%0.64368%0.677SS**SBendtrans-88.15178.7-56.10000114Y30Y30-S34 WeakPolarHBondContact O-CB 3.47Å; Y30-S34 PolarHBondContact O-N 2.71Å; Y30-S34 PolarHBondContact O-OG 2.79Å
35G42.7Very low48.3Very low64 Ų64122.8 Ų122.866%0.6670%0.695SS**SBendtrans-104.84.2-16800000117.6F33F33-G35 VanDerWaalsContact C-N 3.32Å
36E39.2Very low45.9Very low190 Ų190127.5 Ų127.589%0.88872%0.715SS**  trans-128.683.8178.7-74-170.1161.700112
37T35.4Very low43.6Very low129 Ų129129.1 Ų129.179%0.79173%0.727SS**  trans-129.4137.7152.445.20000109.9
38V33.2Very low41.3Very low133 Ų133129.7 Ų129.781%0.80673%0.734SS**  trans74.794165.5-166.80000116.9
39K28.9Very low39.1Very low206 Ų206135.9 Ų135.990%0.89675%0.754SS**  trans-118109.7135.9-90.1-177.2177.9176.40109.1
40A29.1Very low36.9Very low84 Ų84134.6 Ų134.669%0.69476%0.764SS**  trans-54.2135.8163.100000109.7
41I31.6Very low34.8Very low163 Ų163135.5 Ų135.584%0.83678%0.778SS**  trans-117.7113.4159.6-64.2-179.6000107.1
42Q24.5Very low32.8Very low190 Ų190136 Ų13689%0.88878%0.782SS**  trans-99.7139.4171.1-155.9156.4-13.500106.4
43G25.8Very low31.1Very low60 Ų60138.2 Ų138.262%0.61979%0.79SS**  trans114.5133.517700000111.7
44T25.7Very low29.8Very low137 Ų137137.2 Ų137.284%0.8479%0.792SS**  cis-161.9129.113.7-46.70000106.7
45L25Very low28.9Very low170 Ų170139.7 Ų139.789%0.8980%0.803SS**  trans-76.7127.6168-83.3159.5000109
46L27.3Very low28.1Very low163 Ų163145.1 Ų145.185%0.85381%0.811SS**  trans-162.5157.3157.1-90.4-161.6000109.5
47P28.7Very low27.5Very low111 Ų111141.7 Ų141.772%0.72180%0.803SS**  -109.7166-114.633.6-24.2000116.1
48V25.9Very low27Very low128 Ų128144.1 Ų144.178%0.77681%0.81SS**  trans-35.7127.3164175.30000112.7T50V48-T50 HydrophobicContact CG1-CG2 4.27Å
49Q27.2Very low26.7Very low186 Ų186143.2 Ų143.287%0.86981%0.81SS**  trans-120.9110.7155.4-80-177.4-19.900108.9
50T24.9Very low26.5Very low129 Ų129137 Ų13779%0.79181%0.805SS**  trans-66.9124.4164.739.80000109.8V48V48-T50 HydrophobicContact CG1-CG2 4.27Å
51L25.9Very low26.3Very low166 Ų166136.8 Ų136.887%0.86981%0.81SS**  trans-119.1101.7158.2-107.7135.6000106.9
52A24.9Very low26Very low89 Ų89138.8 Ų138.874%0.73682%0.816SS**  trans-76131.715900000107.1
53D26.4Very low26.2Very low151 Ų151133.2 Ų133.281%0.80781%0.809SS**  trans-141.3136.4149.5-150.2-1.1000110.2
54N26.3Very low26.4Very low141 Ų141138.1 Ų138.175%0.75482%0.822SS**  trans-87144.8-176.2-70.9-44.3000109.1
55T27.8Very low26.5Very low144 Ų144138.3 Ų138.388%0.88382%0.816SS**  trans-151.2121.3144.2-250000110.6
56E26.9Very low26.6Very low177 Ų177141.2 Ų141.283%0.82782%0.816SS**  trans-73.1139.8171.9-74.8179.9138.300112
57V25.2Very low26.7Very low118 Ų118145.1 Ų145.172%0.71582%0.819SS**  trans37.2117.8130-169.60000119
58L26.3Very low26.7Very low181 Ų181145.4 Ų145.495%0.94882%0.824SS**  trans-138.4135.8134.5-79.7178.1000110.6
59S26.6Very low27Very low114 Ų114146 Ų14680%0.79783%0.827SS**  trans-104161-174.547.10000112.6
60G24.1Very low27.2Very low76 Ų76143.6 Ų143.678%0.78483%0.826SS**  trans136104.3168.700000110.8
61G25Very low27.7Very low78 Ų78146.2 Ų146.280%0.80483%0.829SS**  83.5127.48200000108.9
62E26.5Very low28.2Very low205 Ų205143.6 Ų143.696%0.95882%0.82SS**  cis-161.4167.722.6-75172.3116.400107.9
63G27.9Very low28.7Very low73 Ų73148.4 Ų148.475%0.75382%0.824SS**  trans152.372.7154.800000117
64N30.2Very low29Very low164 Ų164146.3 Ų146.388%0.87782%0.821SS**  trans-76.4127.6169.5-51-35.3000110.4
65L27.5Very low29.4Very low140 Ų140147.1 Ų147.173%0.73383%0.826SS**  trans-166.3141.1151.3-151.755.7000110.8
66W27.3Very low30.3Very low232 Ų232145.9 Ų145.988%0.87982%0.82SS**  trans88.655.6174.3-42.3102.2000117.8
67R28.6Very low31.1Very low244 Ų244145.1 Ų145.192%0.92182%0.821SS**  trans-134.597.1147.6-87-172.6175.1155.5-0.8109.5
68S28.7Very low32.2Very low118 Ų118144.7 Ų144.783%0.82582%0.821SS**  trans-172.6146.9156.1-830000108.6
69V32.7Very low33.8Very low139 Ų139142.3 Ų142.384%0.84281%0.809SS**SBendtrans79.993-166.3-156.90000110
70T31.3Very low35.2Very low136 Ų136143.4 Ų143.483%0.83481%0.811SS**  -158.211855.6-320000108.6
71Q36.4Very low37.1Very low185 Ų185142.6 Ų142.686%0.86479%0.793SS**  trans-139.191173.6-163.9-176.917.500108.7
72V34.8Very low39.1Very low111 Ų111144 Ų14467%0.67379%0.788SS**  trans-149.3126.7155.4-150.70000110
73F35.6Very low41.5Very low190 Ų190140.2 Ų140.283%0.83378%0.781SS**SBendtrans73.2111.7172.3-48.8-67.7000115.6
74S33.7Very low44.1Very low106 Ų106141 Ų14174%0.74176%0.764SS**  cis-153.2134.531.6-51.60000109.5P76S74-P76 WeakPolarHBondContact O-CD 3.4Å
75N35.4Very low47.1Very low158 Ų158141 Ų14185%0.84576%0.759SS**PPolyproline II helixtrans-71.1120.9170.5-76.6-16.3000108.7
76P45.1Very low50.4Low118 Ų118138 Ų13877%0.76675%0.749SS**PPolyproline II helixtrans-62.8138167.1-14.128.8000108.6S74S74-P76 WeakPolarHBondContact O-CD 3.4Å
77L44.5Very low53.7Low162 Ų162127.1 Ų127.185%0.84871%0.708SS**PPolyproline II helixtrans-49.3137.5167.4-78.5154.5000109D79L77-D79 PolarHBondContact O-N 2.88Å
78P49Very low56.9Low109 Ų109118.4 Ų118.471%0.70868%0.684SS**  trans-60.6115.5176.722.5-29.6000108.8T80P78-T80 PolarHBondContact O-N 3.13Å; P78-T80 VanDerWaalsContact O-N 3.09Å
79D58.5Low60Low131 Ų131120.6 Ų120.670%0.70168%0.681SS**  trans-58.1113.5171.3-172.1-10000107.5L77 S81L77-D79 PolarHBondContact O-N 2.88Å; D79-S81 PolarHBondContact O-N 3.2Å; D79-S81 VanDerWaalsContact OD1-CB 3.31Å; D79-S81 WeakPolarHBondContact OD1-CB 3.28Å; D79-S81 PolarHBondContact OD1-N 3.18Å; D79-S81 PolarHBondContact OD1-OG 3.48Å; D79-S81 PolarHBondContact OD2-OG 3.13Å
80T57.1Low63Low137 Ų137120.7 Ų120.784%0.8467%0.67SS**  trans-84.84.5-176.738.70000112P78P78-T80 PolarHBondContact O-N 3.13Å; P78-T80 VanDerWaalsContact O-N 3.09Å
81S64.1Low66.1Low58 Ų58114.6 Ų114.641%0.40663%0.633SS.*SBendtrans-69.8139.1171.863.60000110.8D79D79-S81 PolarHBondContact O-N 3.2Å; D79-S81 VanDerWaalsContact OD1-CB 3.31Å; D79-S81 WeakPolarHBondContact OD1-CB 3.28Å; D79-S81 PolarHBondContact OD1-N 3.18Å; D79-S81 PolarHBondContact OD1-OG 3.48Å; D79-S81 PolarHBondContact OD2-OG 3.13Å
82P67.3Low69Low109 Ų109110.5 Ų110.571%0.70862%0.622SS**PPolyproline II helixtrans-56.2140.2172.522.9-31.7000109.2K84P82-K84 PolarHBondContact O-N 2.03Å; P82-K84 VanDerWaalsContact O-N 3.1Å
83P76.3Confident72.1Confident124 Ų124109.4 Ų109.481%0.80561%0.612SS**PPolyproline II helixtrans-55.9122.6-176.220-30.3000109.7Q85P83-Q85 PolarHBondContact O-N 3.16Å
84K81.6Confident75.1Confident89 Ų89101.3 Ų101.339%0.38758%0.578SS.*PPolyproline II helixtrans-54.7129.3179.1-74.3-174.2-173.5-175.10109.2P82 P126 L129P82-K84 PolarHBondContact O-N 2.03Å; P82-K84 VanDerWaalsContact O-N 3.1Å; K84-P126 VanDerWaalsContact CE-O 3.31Å; K84-P126 WeakPolarHBondContact CE-O 3.47Å; K84-P126 PolarHBondContact NZ-O 3.49Å; K84-L129 HydrophobicContact CB-CD1 4.4Å; K84-L129 HydrophobicContact CB-CD2 3.95Å; K84-L129 HydrophobicContact CB-CG 3.74Å; K84-L129 HydrophobicContact CD-CD2 4.36Å; K84-L129 VanDerWaalsContact O-CD1 3.24Å; K84-L129 WeakPolarHBondContact O-CD1 3.44Å; K84-L129 WeakPolarHBondContact O-CG 3.5Å
85Q93.4Very high78.1Confident165 Ų165102.5 Ų102.577%0.77157%0.571SS**PPolyproline II helixtrans-68.4154.6174.6-65.2-179.84.200110P83 C128 L129P83-Q85 PolarHBondContact O-N 3.16Å; Q85-C128 CarbonylContact O-C 3.58Å; Q85-C128 VanDerWaalsContact O-CA 3.26Å; Q85-C128 WeakPolarHBondContact O-CA 3.28Å; Q85-C128 WeakPolarHBondContact O-CB 3.34Å; Q85-L129 PolarHBondContact O-N 2.82Å
86S96.2Very high81.1Confident76 Ų7695.1 Ų95.153%0.53153%0.533SS..BIsolated β-bridgetrans-64.6144173.5-170.50000110.7L129S86-L129 CarbonylContact C-O 3.5Å; S86-L129 WeakPolarHBondContact CA-O 3.15Å; S86-L129 PolarHBondContact OG-O 3.47Å
87C97.4Very high83.6Confident4 Ų493.4 Ų93.43%0.02753%0.529CS..PPolyproline II helixtrans-59.9148172.9-58.70000110.2C128 L129 Q131 Q162C87-C128 WeakPolarHBondContact CA-SG 3.41Å; C87-C128 HydrophobicContact CB-CB 3.93Å; C87-C128 WeakPolarHBondContact CB-SG 3.37Å; C87-C128 VanDerWaalsContact SG-C 3.55Å; C87-C128 WeakPolarHBondContact SG-CB 3.34Å; C87-C128 CovalentContact SG-SG 2.03Å; C87-C128 PolarHBondContact SG-SG 3.41Å; C87-L129 PolarHBondContact N-O 3.15Å; C87-L129 PolarHBondContact SG-O 3.47Å; C87-L129 VanDerWaalsContact SG-O 3.34Å; C87-Q131 PolarHBondContact O-NE2 2.94Å; C87-Q162 HydrophobicContact CB-CB 4.18Å
88P96.4Very high86.1Confident62 Ų6287.4 Ų87.440%0.40350%0.497SS..PPolyproline II helixtrans-62.1148.5178.726.7-34.4000111.2K90P88-K90 VanDerWaalsContact C-N 3.28Å; P88-K90 PolarHBondContact O-N 2.98Å
89E92.8Very high88.3Confident164 Ų16489.3 Ų89.377%0.76650%0.501SS*.SBendtrans-54.2-46.4179.7-174.4-175170.400111.8Q131E89-Q131 VanDerWaalsContact CA-NE2 3.34Å
90K95.1Very high90.2Very high141 Ų14184.3 Ų84.361%0.61347%0.474SS*.SBendtrans-102.7115.2168.2-171.3-179.4-179.7-176.70109P88 L94P88-K90 VanDerWaalsContact C-N 3.28Å; P88-K90 PolarHBondContact O-N 2.98Å; K90-L94 HydrophobicContact CG-CD1 4.47Å
91S98Very high92Very high7 Ų780.4 Ų80.45%0.04945%0.45CS..  trans-58.9132.3174.1167.60000110.7L93 R160 Q162S91-L93 PolarHBondContact O-N 3.35Å; S91-L93 WeakPolarHBondContact OG-CB 3.49Å; S91-L93 PolarHBondContact OG-N 2.89Å; S91-R160 WeakPolarHBondContact CB-O 3.44Å; S91-R160 PolarHBondContact OG-O 2.82Å; S91-Q162 PolarHBondContact OG-OE1 3.07Å
92P97.6Very high93.5Very high100 Ų10080.8 Ų80.865%0.64945%0.445SS*.THydrogen-bonded Turntrans-75.1-7.1173.933.4-35.8000112.3
93L98.2Very high94.9Very high88 Ų8881 Ų8146%0.46144%0.437SS..THydrogen-bonded Turntrans-88-9.8-175.8-50.7177.9000113.1S91 R160 Q162S91-L93 PolarHBondContact O-N 3.35Å; S91-L93 WeakPolarHBondContact OG-CB 3.49Å; S91-L93 PolarHBondContact OG-N 2.89Å; L93-R160 HydrophobicContact CB-CB 4.14Å; L93-R160 HydrophobicContact CB-CG 4.23Å; L93-R160 VanDerWaalsContact O-CD 3.3Å; L93-R160 WeakPolarHBondContact O-CD 3.5Å; L93-Q162 HydrophobicContact CD1-CG 3.91Å
94L98.4Very high95.7Very high20 Ų2082 Ų8211%0.10544%0.435CS..  trans-65137.6-177.6-57.2-179.8000111.4K90 R160 Q161 D212 Y213 L215K90-L94 HydrophobicContact CG-CD1 4.47Å; L94-R160 HydrophobicContact CD2-CB 4.4Å; L94-R160 WeakPolarHBondContact CD2-O 3.5Å; L94-Q161 HydrophobicContact CD2-CG 3.79Å; L94-D212 HydrophobicContact CD2-CB 4.3Å; L94-Y213 HydrophobicContact CB-CD1 3.95Å; L94-Y213 HydrophobicContact CB-CE1 3.64Å; L94-Y213 HydrophobicContact CD1-CD1 3.73Å; L94-Y213 HydrophobicContact CD1-CE1 4.04Å; L94-Y213 HydrophobicContact CG-CD1 4.46Å; L94-Y213 HydrophobicContact CG-CE1 4.49Å; L94-L215 HydrophobicContact CD1-CD2 4.03Å
95Q98.3Very high96.4Very high131 Ų13181.7 Ų81.761%0.61244%0.444SS*.  trans-108.4-13.6-176-63.5178.9-1.200112.8L98 D212Q95-L98 HydrophobicContact CB-CD2 4.22Å; Q95-D212 VanDerWaalsContact N-CG 3.34Å; Q95-D212 PolarHBondContact N-OD1 3.16Å; Q95-D212 PolarHBondContact N-OD2 3.12Å
96G98.1Very high96.6Very high3 Ų374.7 Ų74.73%0.03141%0.412CS..SBendtrans80.3-128.4-172.200000111.4N211 D212G96-N211 VanDerWaalsContact C-CG 3.46Å; G96-N211 VanDerWaalsContact C-OD1 3.24Å; G96-N211 VanDerWaalsContact CA-OD1 3.32Å; G96-N211 WeakPolarHBondContact CA-OD1 3.22Å; G96-N211 CarbonylContact O-C 3.59Å; G96-N211 VanDerWaalsContact O-CA 3.22Å; G96-N211 WeakPolarHBondContact O-CA 3.41Å; G96-N211 PolarHBondContact O-OD1 2.78Å; G96-D212 WeakPolarHBondContact CA-OD1 3.25Å; G96-D212 PolarHBondContact N-OD1 2.81Å; G96-D212 PolarHBondContact O-N 3.25Å
97A97.8Very high96.7Very high82 Ų8273.9 Ų73.968%0.67840%0.404SS*.BIsolated β-bridgetrans-66.8134.8-176.600000111.4E210A97-E210 CarbonylContact C-O 3.53Å; A97-E210 WeakPolarHBondContact CA-O 3.4Å
98L97.1Very high96.7Very high36 Ų3676.6 Ų76.619%0.18842%0.418CS..  trans-111.8146.7-174.6-54.5176.9000110.6Q95 L100 F157 R160 E210 D212Q95-L98 HydrophobicContact CB-CD2 4.22Å; L98-L100 HydrophobicContact CB-CD2 4.36Å; L98-F157 HydrophobicContact CD1-CD2 3.65Å; L98-F157 HydrophobicContact CD1-CE2 4.32Å; L98-R160 VanDerWaalsContact CD1-NH2 3.26Å; L98-R160 VanDerWaalsContact CD2-NH2 3.33Å; L98-E210 PolarHBondContact N-O 2.86Å; L98-D212 HydrophobicContact CD1-CB 4.28Å
99N94.9Very high96.8Very high148 Ų14881.6 Ų81.679%0.79143%0.433SS*.  trans-92.1112172-170.719.7000109.5
100L97Very high97Very high27 Ų2776.9 Ų76.914%0.14141%0.411CS..  trans-92.2134.5-177.8-55.7-178.8000110.9L98 F102 H153 V208 E210L98-L100 HydrophobicContact CB-CD2 4.36Å; L100-F102 HydrophobicContact CB-CE2 3.72Å; L100-F102 HydrophobicContact CB-CZ 3.85Å; L100-F102 HydrophobicContact CD1-CZ 4.19Å; L100-H153 HydrophobicContact CD2-CB 4.3Å; L100-V208 HydrophobicContact CD1-CB 4.06Å; L100-V208 HydrophobicContact CD1-CG1 3.69Å; L100-V208 HydrophobicContact CD2-CG1 3.82Å; L100-V208 HydrophobicContact CG-CG1 4.36Å; L100-E210 HydrophobicContact CD1-CG 3.75Å
101T95.7Very high97.2Very high54 Ų5470.1 Ų70.133%0.33138%0.382SS..  trans-124.5141.9177.759.30000110.9H153T101-H153 PolarHBondContact N-CE1 2.84Å; T101-H153 PolarHBondContact N-NE2 2.79Å; T101-H153 PolarHBondContact O-CE1 2.82Å; T101-H153 PolarHBondContact O-NE2 2.86Å
102F96.1Very high97.2Very high66 Ų6672.6 Ų72.629%0.28939%0.393SS..  trans-130.759.5-173.6-58.6-81.2000110.4L100 Y149 V208 T295 V297L100-F102 HydrophobicContact CB-CE2 3.72Å; L100-F102 HydrophobicContact CB-CZ 3.85Å; L100-F102 HydrophobicContact CD1-CZ 4.19Å; F102-Y149 HydrophobicContact CB-CD1 4.27Å; F102-Y149 HydrophobicContact CB-CE1 3.97Å; F102-Y149 HydrophobicContact CB-CE2 4.3Å; F102-Y149 AromaticContact CD1-CD1 3.99Å; F102-Y149 HydrophobicContact CD1-CD1 3.99Å; F102-Y149 HydrophobicContact CD1-CD2 4Å; F102-Y149 AromaticContact CD1-CG 3.71Å; F102-Y149 HydrophobicContact CD1-CG 3.71Å; F102-Y149 PolarHBondContact O-OH 3.03Å; F102-Y149 VanDerWaalsContact O-OH 3.1Å; F102-V208 HydrophobicContact CE1-CG2 3.99Å; F102-V208 HydrophobicContact CZ-CB 4.4Å; F102-V208 HydrophobicContact CZ-CG2 4.35Å; F102-T295 HydrophobicContact CE2-CG2 3.66Å; F102-T295 HydrophobicContact CZ-CG2 3.61Å; F102-V297 HydrophobicContact CD1-CG2 3.82Å; F102-V297 HydrophobicContact CE1-CG2 3.45Å; F102-V297 VanDerWaalsContact CE1-CG2 3.45Å; F102-V297 HydrophobicContact CZ-CG2 4.16Å
103E95.4Very high97.2Very high115 Ų11576 Ų7654%0.53739%0.393SS..  trans-71.2132.8-174.6-62.9-175.8-172.100112.6S105 L106 K145 Y149E103-S105 PolarHBondContact O-N 2.91Å; E103-L106 WeakPolarHBondContact O-CB 3.39Å; E103-L106 PolarHBondContact O-N 2.92Å; E103-K145 PolarHBondContact O-NZ 2.91Å; E103-Y149 VanDerWaalsContact O-CE1 3.3Å; E103-Y149 WeakPolarHBondContact O-CE1 3.34Å; E103-Y149 PolarHBondContact O-OH 2.95Å
104D94.4Very high97.1Very high143 Ų14377 Ų7777%0.76539%0.394SS*.THydrogen-bonded Turntrans-64.1-30.1178.2-71.9-28000112.2L106 K145 Y149D104-L106 VanDerWaalsContact C-N 3.33Å; D104-L106 PolarHBondContact O-N 3.03Å; D104-K145 PolarHBondContact O-NZ 3.42Å; D104-Y149 PolarHBondContact OD1-OH 2.88Å
105S96.8Very high97.1Very high84 Ų8476.2 Ų76.259%0.58739%0.391SS*.THydrogen-bonded Turntrans-74.2-16.417844.30000114.8E103 T107E103-S105 PolarHBondContact O-N 2.91Å; S105-T107 WeakPolarHBondContact O-CG2 3.39Å; S105-T107 PolarHBondContact O-N 2.93Å
106L97.6Very high97Very high17 Ų1775.1 Ų75.19%0.08940%0.398CS..  trans-54.7133.7-178.1-17869.6000111E103 D104 V111 K145 L148 Y149 H152E103-L106 WeakPolarHBondContact O-CB 3.39Å; E103-L106 PolarHBondContact O-N 2.92Å; D104-L106 VanDerWaalsContact C-N 3.33Å; D104-L106 PolarHBondContact O-N 3.03Å; L106-V111 HydrophobicContact CD1-CG2 4.05Å; L106-V111 HydrophobicContact CD2-CG2 4.35Å; L106-V111 HydrophobicContact CG-CG2 4.31Å; L106-K145 PolarHBondContact O-NZ 2.88Å; L106-L148 HydrophobicContact CD2-CD1 4.48Å; L106-L148 HydrophobicContact CD2-CD2 4.44Å; L106-L148 HydrophobicContact CD2-CG 4.03Å; L106-L148 HydrophobicContact CG-CD1 4.48Å; L106-L148 HydrophobicContact CG-CD2 4.27Å; L106-L148 HydrophobicContact CG-CG 4.26Å; L106-L148 WeakPolarHBondContact O-CD2 3.25Å; L106-Y149 HydrophobicContact CD2-CD1 3.88Å; L106-Y149 HydrophobicContact CD2-CE1 4.23Å; L106-H152 HydrophobicContact CD2-CB 3.8Å
107T97.9Very high96.8Very high60 Ų6077.3 Ų77.337%0.36842%0.42SS..  trans-119155.6179.168.30000112.5S105 K109 E110 V111S105-T107 WeakPolarHBondContact O-CG2 3.39Å; S105-T107 PolarHBondContact O-N 2.93Å; T107-K109 VanDerWaalsContact C-N 3.28Å; T107-K109 PolarHBondContact O-N 3.25Å; T107-E110 PolarHBondContact N-OE2 3.31Å; T107-E110 PolarHBondContact O-N 3.36Å; T107-E110 VanDerWaalsContact OG1-CG 3.27Å; T107-E110 WeakPolarHBondContact OG1-CG 3.32Å; T107-E110 PolarHBondContact OG1-N 2.95Å; T107-E110 PolarHBondContact OG1-OE2 3.36Å; T107-V111 PolarHBondContact O-N 3.21Å
108L97.2Very high96.8Very high61 Ų6173.8 Ų73.832%0.31939%0.39SS..Hα-helixtrans-61.3-37.2177.9-167.467.9000112.3E110 V111 E112 L148 L151 L342L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 2.88Å; L108-V111 PolarHBondContact O-N 3.09Å; L108-E112 WeakPolarHBondContact O-CG 3.35Å; L108-E112 PolarHBondContact O-N 3.12Å; L108-L148 HydrophobicContact CB-CD1 4.18Å; L108-L148 HydrophobicContact CD1-CD1 3.89Å; L108-L151 HydrophobicContact CD1-CD1 4.17Å; L108-L342 HydrophobicContact CD1-CD1 3.67Å; L108-L342 HydrophobicContact CG-CD1 4.23Å
109K97.7Very high96.8Very high166 Ų16675.1 Ų75.172%0.72241%0.406SS*.Hα-helixtrans-63.8-34.1178.4-71.1-175.3176.5-178.60113.2T107 R113T107-K109 VanDerWaalsContact C-N 3.28Å; T107-K109 PolarHBondContact O-N 3.25Å; K109-R113 WeakPolarHBondContact O-CB 3.21Å; K109-R113 PolarHBondContact O-N 2.88Å
110E97.9Very high96.9Very high65 Ų6574 Ų7430%0.30440%0.396SS..Hα-helixtrans-66.6-44.9174.6-73.1160.6157.600110.4T107 L108 E112 R113 E114T107-E110 PolarHBondContact N-OE2 3.31Å; T107-E110 PolarHBondContact O-N 3.36Å; T107-E110 VanDerWaalsContact OG1-CG 3.27Å; T107-E110 WeakPolarHBondContact OG1-CG 3.32Å; T107-E110 PolarHBondContact OG1-N 2.95Å; T107-E110 PolarHBondContact OG1-OE2 3.36Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 2.88Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E110-E112 PolarHBondContact O-N 3.01Å; E110-R113 PolarHBondContact O-N 3.2Å; E110-E114 WeakPolarHBondContact O-CG 3.46Å; E110-E114 PolarHBondContact O-N 2.88Å
111V98.3Very high96.8Very high0 Ų072.7 Ų72.70%039%0.389CS..Hα-helixtrans-61.8-41.8176.2-177.30000111.4L106 T107 L108 E114 N115 L148 L151 H152 L342L106-V111 HydrophobicContact CD1-CG2 4.05Å; L106-V111 HydrophobicContact CD2-CG2 4.35Å; L106-V111 HydrophobicContact CG-CG2 4.31Å; T107-V111 PolarHBondContact O-N 3.21Å; L108-V111 PolarHBondContact O-N 3.09Å; V111-E114 PolarHBondContact O-N 3.46Å; V111-N115 WeakPolarHBondContact O-CB 3.44Å; V111-N115 PolarHBondContact O-N 3.33Å; V111-N115 VanDerWaalsContact O-N 3.09Å; V111-N115 PolarHBondContact O-ND2 2.93Å; V111-L148 HydrophobicContact CG2-CD1 3.8Å; V111-L151 HydrophobicContact CG1-CB 4.36Å; V111-H152 HydrophobicContact CG1-CB 4.42Å; V111-H152 HydrophobicContact CG2-CB 3.76Å; V111-L342 HydrophobicContact CB-CD1 3.89Å; V111-L342 HydrophobicContact CG1-CD1 3.59Å; V111-L342 HydrophobicContact CG1-CD2 4.31Å
112E98.1Very high96.9Very high59 Ų5973 Ų7328%0.27639%0.387SS..Hα-helixtrans-58.3-47.9174.2-74.4172.6-177.200111.4L108 E110 E114 N115 S116 P341 L342L108-E112 WeakPolarHBondContact O-CG 3.35Å; L108-E112 PolarHBondContact O-N 3.12Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E110-E112 PolarHBondContact O-N 3.01Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.25Å; E112-N115 CarbonylContact O-C 3.56Å; E112-N115 PolarHBondContact O-N 3.03Å; E112-S116 PolarHBondContact O-N 2.95Å; E112-P341 HydrophobicContact CG-CB 4.23Å; E112-P341 HydrophobicContact CG-CG 4.45Å; E112-L342 HydrophobicContact CB-CD1 4.46Å; E112-L342 HydrophobicContact CG-CD1 3.58Å; E112-L342 HydrophobicContact CG-CD2 4.37Å; E112-L342 HydrophobicContact CG-CG 3.71Å
113R97.8Very high97.1Very high172 Ų17271.2 Ų71.265%0.64938%0.378SS*.Hα-helixtrans-63-40.3179.8-178-176.763.9-159.1-4.9112.2K109 E110 N115K109-R113 WeakPolarHBondContact O-CB 3.21Å; K109-R113 PolarHBondContact O-N 2.88Å; E110-R113 PolarHBondContact O-N 3.2Å; R113-N115 PolarHBondContact O-N 3.18Å
114E97.6Very high97.2Very high107 Ų10771.7 Ų71.750%0.538%0.381SS..Hα-helixtrans-73-18.2179.3-72.1171.7-171.700113.1E110 V111 E112 H152E110-E114 WeakPolarHBondContact O-CG 3.46Å; E110-E114 PolarHBondContact O-N 2.88Å; V111-E114 PolarHBondContact O-N 3.46Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.25Å; E114-H152 IonicContact OE2-CD2 2.78Å; E114-H152 IonicContact OE2-NE2 3.38Å
115N97.6Very high97.3Very high5 Ų565.1 Ų65.13%0.02735%0.346CS..THydrogen-bonded Turntrans-122.745.7-177.8-64.5-82.3000111.7V111 E112 R113 G117 V118 H155 P156 Q159 L342V111-N115 WeakPolarHBondContact O-CB 3.44Å; V111-N115 PolarHBondContact O-N 3.33Å; V111-N115 VanDerWaalsContact O-N 3.09Å; V111-N115 PolarHBondContact O-ND2 2.93Å; E112-N115 CarbonylContact O-C 3.56Å; E112-N115 PolarHBondContact O-N 3.03Å; R113-N115 PolarHBondContact O-N 3.18Å; N115-G117 PolarHBondContact O-N 2.96Å; N115-V118 HydrophobicContact CB-CG2 3.97Å; N115-V118 WeakPolarHBondContact O-CB 3.05Å; N115-V118 PolarHBondContact O-N 3.3Å; N115-H155 HydrophobicContact CB-CB 4.26Å; N115-H155 WeakPolarHBondContact OD1-CB 2.99Å; N115-P156 WeakPolarHBondContact OD1-CD 3.39Å; N115-Q159 PolarHBondContact OD1-NE2 3.44Å; N115-L342 HydrophobicContact CB-CD2 4.1Å
116S95.8Very high97.2Very high108 Ų10864.7 Ų64.776%0.75534%0.341SS*.THydrogen-bonded Turntrans-61.9-14.2-176.960.60000115.3E112 V118E112-S116 PolarHBondContact O-N 2.95Å; S116-V118 VanDerWaalsContact C-N 3.29Å
117G95Very high97Very high48 Ų4870.6 Ų70.650%0.49537%0.373SS..THydrogen-bonded Turntrans-77.9-10.2171.600000114.3N115 Y123N115-G117 PolarHBondContact O-N 2.96Å; G117-Y123 WeakPolarHBondContact O-CD2 3.46Å
118V97.8Very high97Very high9 Ų968.3 Ų68.36%0.05536%0.359CS..  trans-93.3130.2176.8-170.60000108.7N115 S116 Q122 Y123 P341N115-V118 HydrophobicContact CB-CG2 3.97Å; N115-V118 WeakPolarHBondContact O-CB 3.05Å; N115-V118 PolarHBondContact O-N 3.3Å; S116-V118 VanDerWaalsContact C-N 3.29Å; V118-Q122 WeakPolarHBondContact CA-O 3.34Å; V118-Q122 WeakPolarHBondContact CG1-O 3.4Å; V118-Y123 HydrophobicContact CG2-CD2 4.46Å; V118-P341 WeakPolarHBondContact CG1-O 3.42Å
119A96.9Very high97Very high64 Ų6470.1 Ų70.153%0.52937%0.368SS..BIsolated β-bridgetrans-137.3137.3178.400000110.2G121 Q122 P341A119-G121 PolarHBondContact O-N 3.22Å; A119-Q122 PolarHBondContact N-O 2.79Å; A119-Q122 PolarHBondContact O-N 3.37Å; A119-P341 CarbonylContact C-O 3.57Å
120E96.9Very high97Very high123 Ų12363.4 Ų63.458%0.57534%0.344SS*.THydrogen-bonded Turntrans50.433.2-179.9-60.2-166.9133.800113.7Q122 R339 P340 P341 I344E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 3.3Å; E120-R339 HydrophobicContact CB-CB 4.07Å; E120-R339 HydrophobicContact CG-CB 4.42Å; E120-P340 CarbonylContact C-O 3.59Å; E120-P341 PolarHBondContact N-O 2.88Å; E120-I344 WeakPolarHBondContact O-CG1 3.47Å
121G95.2Very high96.9Very high0 Ų064.2 Ų64.20%035%0.348CS..THydrogen-bonded Turntrans77.110.6-178.200000115.6A119 S166 I167 P340 P341 Y343A119-G121 PolarHBondContact O-N 3.22Å; G121-S166 VanDerWaalsContact O-CA 3.27Å; G121-S166 WeakPolarHBondContact O-CA 3.16Å; G121-I167 PolarHBondContact O-N 3.26Å; G121-P340 PolarHBondContact N-O 2.65Å; G121-P341 PolarHBondContact N-O 3.15Å; G121-Y343 VanDerWaalsContact CA-CA 3.45Å; G121-Y343 VanDerWaalsContact CA-N 3.35Å
122Q98Very high96.8Very high61 Ų6166.4 Ų66.429%0.28536%0.358SS..EExtended strand (participates in β ladder)trans-121.6152.5-176.5-41-154.6-20.800112.1V118 A119 E120 Y165 S166V118-Q122 WeakPolarHBondContact CA-O 3.34Å; V118-Q122 WeakPolarHBondContact CG1-O 3.4Å; A119-Q122 PolarHBondContact N-O 2.79Å; A119-Q122 PolarHBondContact O-N 3.37Å; E120-Q122 VanDerWaalsContact C-N 3.3Å; E120-Q122 PolarHBondContact O-N 3.3Å; Q122-Y165 CarbonylContact C-O 3.59Å; Q122-Y165 WeakPolarHBondContact CA-O 3.27Å; Q122-S166 WeakPolarHBondContact CG-OG 3.19Å; Q122-S166 PolarHBondContact NE2-OG 3.42Å
123Y98.5Very high96.9Very high28 Ų2864.1 Ų64.111%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-143.5143.2172.2170.9-90.5000110.3G117 V118 P125 Q159 L163 H164 Y165G117-Y123 WeakPolarHBondContact O-CD2 3.46Å; V118-Y123 HydrophobicContact CG2-CD2 4.46Å; Y123-P125 HydrophobicContact CE1-CG 4.25Å; Y123-Q159 HydrophobicContact CD1-CG 3.93Å; Y123-Q159 HydrophobicContact CD2-CG 3.79Å; Y123-Q159 HydrophobicContact CE1-CB 4.13Å; Y123-Q159 HydrophobicContact CE1-CG 3.83Å; Y123-Q159 HydrophobicContact CE2-CB 4.43Å; Y123-Q159 HydrophobicContact CE2-CG 3.69Å; Y123-Q159 HydrophobicContact CG-CG 3.91Å; Y123-L163 WeakPolarHBondContact CD1-O 3.43Å; Y123-H164 CarbonylContact O-C 3.55Å; Y123-H164 WeakPolarHBondContact O-CA 3.36Å; Y123-H164 PolarHBondContact O-CD2 2.75Å; Y123-Y165 VanDerWaalsContact CB-CE1 3.45Å; Y123-Y165 AromaticContact CD1-CD1 3.88Å; Y123-Y165 HydrophobicContact CD1-CD1 3.88Å; Y123-Y165 AromaticContact CD1-CE1 3.46Å; Y123-Y165 HydrophobicContact CD1-CE1 3.46Å; Y123-Y165 VanDerWaalsContact CD1-CE1 3.46Å; Y123-Y165 HydrophobicContact CE1-CE1 4.47Å; Y123-Y165 HydrophobicContact CG-CD1 4.38Å; Y123-Y165 AromaticContact CG-CE1 3.71Å; Y123-Y165 HydrophobicContact CG-CE1 3.71Å; Y123-Y165 PolarHBondContact N-O 3.05Å; Y123-Y165 PolarHBondContact O-N 3.4Å
124Q97.6Very high96.9Very high125 Ų12556 Ų5658%0.58432%0.318SS*.  trans-132.7146.1167.163.8176.726.400110
125P97.1Very high97Very high6 Ų650.9 Ų50.94%0.03929%0.294CS..  trans-61.7132.2176-20.934.1000110.7Y123 D127 A130 Q162 L163Y123-P125 HydrophobicContact CE1-CG 4.25Å; P125-D127 VanDerWaalsContact C-N 3.34Å; P125-D127 PolarHBondContact O-N 3.46Å; P125-A130 HydrophobicContact CG-CB 4.2Å; P125-Q162 VanDerWaalsContact CG-C 3.5Å; P125-Q162 HydrophobicContact CG-CB 4.04Å; P125-Q162 WeakPolarHBondContact CG-O 3.46Å; P125-L163 WeakPolarHBondContact CD-O 3.47Å
126P94.8Very high97Very high74 Ų7450.6 Ų50.648%0.48129%0.293SS..SBendtrans-70.7-32.2-177.425.8-32.8000112.4K84K84-P126 VanDerWaalsContact CE-O 3.31Å; K84-P126 WeakPolarHBondContact CE-O 3.47Å; K84-P126 PolarHBondContact NZ-O 3.49Å
127D94.4Very high97.2Very high141 Ų14145.5 Ų45.575%0.75426%0.257SS*.SBendtrans-101-7.4-166-53.6-46.2000114.3P125P125-D127 VanDerWaalsContact C-N 3.34Å; P125-D127 PolarHBondContact O-N 3.46Å
128C96.6Very high97.4Very high12 Ų1243.2 Ų43.28%0.08123%0.233CC..SBendtrans-154.9162.1-176.959.40000112.1Q85 C87 Q162Q85-C128 CarbonylContact O-C 3.58Å; Q85-C128 VanDerWaalsContact O-CA 3.26Å; Q85-C128 WeakPolarHBondContact O-CA 3.28Å; Q85-C128 WeakPolarHBondContact O-CB 3.34Å; C87-C128 WeakPolarHBondContact CA-SG 3.41Å; C87-C128 HydrophobicContact CB-CB 3.93Å; C87-C128 WeakPolarHBondContact CB-SG 3.37Å; C87-C128 VanDerWaalsContact SG-C 3.55Å; C87-C128 WeakPolarHBondContact SG-CB 3.34Å; C87-C128 CovalentContact SG-SG 2.03Å; C87-C128 PolarHBondContact SG-SG 3.41Å; C128-Q162 PolarHBondContact SG-NE2 3.03Å
129L97Very high97.4Very high99 Ų9943.1 Ų43.152%0.51823%0.233SC..BIsolated β-bridgetrans-84119173.1-60.4177.9000109.9K84 Q85 S86 C87K84-L129 HydrophobicContact CB-CD1 4.4Å; K84-L129 HydrophobicContact CB-CD2 3.95Å; K84-L129 HydrophobicContact CB-CG 3.74Å; K84-L129 HydrophobicContact CD-CD2 4.36Å; K84-L129 VanDerWaalsContact O-CD1 3.24Å; K84-L129 WeakPolarHBondContact O-CD1 3.44Å; K84-L129 WeakPolarHBondContact O-CG 3.5Å; Q85-L129 PolarHBondContact O-N 2.82Å; S86-L129 CarbonylContact C-O 3.5Å; S86-L129 WeakPolarHBondContact CA-O 3.15Å; S86-L129 PolarHBondContact OG-O 3.47Å; C87-L129 PolarHBondContact N-O 3.15Å; C87-L129 PolarHBondContact SG-O 3.47Å; C87-L129 VanDerWaalsContact SG-O 3.34Å
130A97.6Very high97.5Very high26 Ų2640.4 Ų40.422%0.21521%0.21CC..  trans-57.4140.9177.300000111.2P125 Q132 H164P125-A130 HydrophobicContact CG-CB 4.2Å; A130-Q132 VanDerWaalsContact C-N 3.31Å; A130-Q132 PolarHBondContact O-N 3.4Å; A130-H164 HydrophobicContact CB-CB 3.65Å
131Q96.1Very high97.5Very high82 Ų8235.6 Ų35.638%0.38319%0.186SC..SBendtrans-74-23.1-179.6-66.1-174.3-22.200113.6C87 E89C87-Q131 PolarHBondContact O-NE2 2.94Å; E89-Q131 VanDerWaalsContact CA-NE2 3.34Å
132Q97.4Very high97.5Very high45 Ų4540.2 Ų40.221%0.2121%0.211CC..  trans-144.6140.9177.6-77.5-174-24.500109.5A130 V134 H164 C218A130-Q132 VanDerWaalsContact C-N 3.31Å; A130-Q132 PolarHBondContact O-N 3.4Å; Q132-V134 HydrophobicContact CB-CG2 4.32Å; Q132-H164 PolarHBondContact O-N 2.96Å; Q132-C218 PolarHBondContact NE2-O 3.34Å; Q132-C218 VanDerWaalsContact NE2-O 3.13Å; Q132-C218 VanDerWaalsContact OE1-N 3.12Å; Q132-C218 PolarHBondContact OE1-O 2.94Å
133S98.7Very high97.4Very high12 Ų1238.2 Ų38.28%0.08420%0.201CC..EExtended strand (participates in β ladder)trans-92.7125.3167.4-56.50000109.2H164 W197 D198 C199S133-H164 CarbonylContact C-O 3.57Å; S133-H164 VanDerWaalsContact CA-O 3.27Å; S133-H164 WeakPolarHBondContact CA-O 3.27Å; S133-H164 WeakPolarHBondContact CB-ND1 3.25Å; S133-H164 PolarHBondContact OG-ND1 2.61Å; S133-W197 VanDerWaalsContact C-CE3 3.49Å; S133-D198 PolarHBondContact N-OD2 3.32Å; S133-D198 PolarHBondContact O-N 3.08Å; S133-D198 VanDerWaalsContact O-N 3.13Å; S133-C199 PolarHBondContact O-N 3.48Å; S133-C199 VanDerWaalsContact O-N 3.16Å
134V98.9Very high97.3Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-124.1121-171.4-168.50000112.3Q132 I136 L163 H164 Y165 S166 W197 C199 V201Q132-V134 HydrophobicContact CB-CG2 4.32Å; V134-I136 HydrophobicContact CG1-CD1 3.69Å; V134-L163 HydrophobicContact CG2-CD1 4.3Å; V134-L163 HydrophobicContact CG2-CD2 4.05Å; V134-H164 PolarHBondContact N-O 2.85Å; V134-Y165 WeakPolarHBondContact O-CA 3.25Å; V134-Y165 WeakPolarHBondContact O-CB 3.48Å; V134-S166 PolarHBondContact O-N 3.45Å; V134-S166 VanDerWaalsContact O-N 3.08Å; V134-W197 VanDerWaalsContact C-CE3 3.4Å; V134-W197 VanDerWaalsContact N-CE3 3.33Å; V134-C199 WeakPolarHBondContact CA-O 3.25Å; V134-C199 HydrophobicContact CB-CB 4.43Å; V134-C199 HydrophobicContact CG1-CB 4.14Å; V134-C199 HydrophobicContact CG2-CB 4.09Å; V134-V201 HydrophobicContact CG1-CG2 3.6Å
135A98.9Very high97.3Very high0 Ų039.5 Ų39.50%021%0.207CC..EExtended strand (participates in β ladder)trans-89.2118.9167.500000110.3L137 Y168 A191 W197 C199 F200 V201A135-L137 HydrophobicContact CB-CD2 4.18Å; A135-Y168 HydrophobicContact CB-CD2 4.21Å; A135-Y168 HydrophobicContact CB-CE2 4.07Å; A135-A191 HydrophobicContact CB-CB 4.03Å; A135-W197 HydrophobicContact CB-CB 4.23Å; A135-W197 HydrophobicContact CB-CD2 3.82Å; A135-W197 HydrophobicContact CB-CE3 4.39Å; A135-W197 HydrophobicContact CB-CG 3.72Å; A135-C199 PolarHBondContact N-O 3.02Å; A135-F200 HydrophobicContact CB-CD1 3.79Å; A135-F200 HydrophobicContact CB-CE1 3.96Å; A135-F200 WeakPolarHBondContact O-CA 3.4Å; A135-V201 PolarHBondContact O-N 3.1Å
136I98.9Very high97.3Very high0 Ų040.4 Ų40.40%021%0.21CC..EExtended strand (participates in β ladder)trans-93.8118.4172.6-46.3-59.9000108.3V134 I138 L154 L158 S166 I167 Y168 V201 H203 Y216V134-I136 HydrophobicContact CG1-CD1 3.69Å; I136-I138 HydrophobicContact CG2-CD1 4.46Å; I136-I138 HydrophobicContact CG2-CG1 4.27Å; I136-L154 HydrophobicContact CG2-CD2 4.27Å; I136-L158 HydrophobicContact CD1-CD1 4.38Å; I136-L158 HydrophobicContact CD1-CD2 4.5Å; I136-L158 HydrophobicContact CG1-CD1 3.98Å; I136-S166 PolarHBondContact N-O 3.49Å; I136-I167 HydrophobicContact CB-CG1 4.25Å; I136-I167 HydrophobicContact CG1-CG1 4.36Å; I136-Y168 PolarHBondContact O-N 3.44Å; I136-V201 HydrophobicContact CD1-CB 3.6Å; I136-V201 HydrophobicContact CD1-CG1 4.22Å; I136-V201 HydrophobicContact CD1-CG2 3.73Å; I136-H203 HydrophobicContact CG2-CB 4.1Å; I136-Y216 HydrophobicContact CD1-CD1 4Å
137L98.9Very high97.5Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-110.6115.6-174.4-51.8-178.2000110.2A135 Y168 I170 L184 Y188 A191 F200 V201 F202 H203A135-L137 HydrophobicContact CB-CD2 4.18Å; L137-Y168 HydrophobicContact CD2-CD2 3.93Å; L137-Y168 HydrophobicContact CD2-CG 4.09Å; L137-I170 HydrophobicContact CB-CD1 4.22Å; L137-I170 HydrophobicContact CD2-CD1 4.47Å; L137-L184 HydrophobicContact CB-CD2 4.17Å; L137-Y188 VanDerWaalsContact CD1-N 3.33Å; L137-A191 HydrophobicContact CD2-CB 4.14Å; L137-F200 HydrophobicContact CD1-CD1 3.98Å; L137-F200 HydrophobicContact CG-CD1 4.49Å; L137-V201 PolarHBondContact N-O 3.08Å; L137-F202 HydrophobicContact CB-CD1 4.47Å; L137-F202 HydrophobicContact CD1-CD1 3.87Å; L137-F202 HydrophobicContact CD1-CE1 3.69Å; L137-H203 PolarHBondContact O-N 3.04Å
138I98.9Very high97.7Very high0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-116.9109.4-175.8-58.2168.1000109.1I136 L147 L150 I167 Y168 I170 H203 V205I136-I138 HydrophobicContact CG2-CD1 4.46Å; I136-I138 HydrophobicContact CG2-CG1 4.27Å; I138-L147 HydrophobicContact CD1-CD1 4.4Å; I138-L150 HydrophobicContact CD1-CD2 3.69Å; I138-L150 HydrophobicContact CG1-CD2 4.42Å; I138-I167 HydrophobicContact CD1-CG2 3.61Å; I138-Y168 PolarHBondContact N-O 3.05Å; I138-I170 PolarHBondContact O-N 3.45Å; I138-H203 HydrophobicContact CG1-CB 4.21Å; I138-V205 HydrophobicContact CG2-CB 3.74Å; I138-V205 HydrophobicContact CG2-CG2 4.02Å
139P98.8Very high97.8Very high7 Ų731.7 Ų31.75%0.04516%0.158CC..EExtended strand (participates in β ladder)trans-74.8131.617531.7-27.4000108.8F178 R180 L183 L184 H203P139-F178 HydrophobicContact CB-CZ 4.07Å; P139-R180 HydrophobicContact CB-CG 4.35Å; P139-R180 HydrophobicContact CG-CG 3.79Å; P139-L183 HydrophobicContact CB-CB 3.79Å; P139-L183 HydrophobicContact CB-CD1 3.94Å; P139-L184 HydrophobicContact CB-CD2 4.3Å; P139-L184 HydrophobicContact CB-CG 4.4Å; P139-L184 HydrophobicContact CG-CD2 3.82Å; P139-L184 HydrophobicContact CG-CG 4.08Å; P139-H203 WeakPolarHBondContact CD-O 3.42Å
140H98.4Very high97.9Very high8 Ų827 Ų274%0.03713%0.133CC..EExtended strand (participates in β ladder)trans-142.2142.3-167.4-178.3-79.7000113.3E144 V169 I170 H171 Q172H140-E144 IonicContact CE1-OE1 2.6Å; H140-E144 PolarHBondContact CE1-OE1 3.39Å; H140-E144 VanDerWaalsContact CE1-OE1 3.28Å; H140-E144 IonicContact NE2-OE1 2.83Å; H140-V169 HydrophobicContact CB-CG1 3.54Å; H140-I170 PolarHBondContact N-O 2.9Å; H140-H171 AromaticContact ND1-ND1 3.31Å; H140-H171 PolarHBondContact ND1-ND1 3.36Å; H140-H171 WeakPolarHBondContact O-CA 3.42Å; H140-Q172 PolarHBondContact O-N 2.96Å
141R96.9Very high98Very high21 Ų2125.8 Ų25.88%0.07912%0.123CC..SBendtrans-163.1132158.8-174.7168.563.6-173.71.1109.7R143 Q172 G174 V176 F178R141-R143 VanDerWaalsContact C-N 3.34Å; R141-R143 VanDerWaalsContact O-CG 3.31Å; R141-R143 WeakPolarHBondContact O-CG 3.2Å; R141-R143 PolarHBondContact O-N 3.06Å; R141-Q172 WeakPolarHBondContact CD-O 3.3Å; R141-G174 PolarHBondContact NH1-O 3.21Å; R141-V176 PolarHBondContact NH1-O 3.07Å; R141-V176 PolarHBondContact NH2-O 3.22Å; R141-F178 HydrophobicContact CB-CD2 4.1Å; R141-F178 HydrophobicContact CB-CE2 3.98Å
142N94.5Very high98.1Very high98 Ų9823.4 Ų23.452%0.52411%0.112SC..SBendtrans53.544.4173.7-57.9-20000113.8E144N142-E144 WeakPolarHBondContact CA-OE1 3.2Å
143R96.1Very high98.1Very high18 Ų1822.2 Ų22.27%0.06811%0.106CC..  trans-13730.2-171.3-75.5-68.4-178167.5-6.9113.4R141 K145 H146 L147 V205 H299 D302R141-R143 VanDerWaalsContact C-N 3.34Å; R141-R143 VanDerWaalsContact O-CG 3.31Å; R141-R143 WeakPolarHBondContact O-CG 3.2Å; R141-R143 PolarHBondContact O-N 3.06Å; R143-K145 VanDerWaalsContact C-N 3.34Å; R143-K145 PolarHBondContact O-N 3.04Å; R143-H146 HydrophobicContact CB-CB 4.46Å; R143-H146 PolarHBondContact NH1-CE1 2.98Å; R143-H146 PolarHBondContact NH1-NE2 3.42Å; R143-H146 WeakPolarHBondContact O-CB 3.4Å; R143-H146 PolarHBondContact O-N 3.18Å; R143-L147 PolarHBondContact O-N 2.9Å; R143-V205 HydrophobicContact CB-CG1 4.08Å; R143-V205 HydrophobicContact CG-CG1 4.23Å; R143-H299 VanDerWaalsContact CZ-CG 3.46Å; R143-H299 PolarHBondContact NH1-CD2 3.3Å; R143-H299 PolarHBondContact NH2-CE1 3.14Å; R143-H299 PolarHBondContact NH2-ND1 2.89Å; R143-D302 IonicContact CZ-OD1 3.08Å; R143-D302 IonicContact CZ-OD2 3.51Å; R143-D302 VanDerWaalsContact CZ-OD2 3.24Å; R143-D302 IonicContact NE-OD1 3.3Å; R143-D302 PolarHBondContact NE-OD1 3.22Å; R143-D302 IonicContact NE-OD2 3.41Å; R143-D302 PolarHBondContact NE-OD2 3.3Å; R143-D302 IonicContact NH2-OD1 2.75Å; R143-D302 PolarHBondContact NH2-OD1 3.07Å; R143-D302 IonicContact NH2-OD2 2.73Å; R143-D302 PolarHBondContact NH2-OD2 3.03Å
144E96.8Very high98.1Very high111 Ų11121.7 Ų21.752%0.51910%0.102SC..Hα-helixtrans-59.1-42.1-168.6-62.264.8-132.100111.9H140 N142 H146 L147 L148H140-E144 IonicContact CE1-OE1 2.6Å; H140-E144 PolarHBondContact CE1-OE1 3.39Å; H140-E144 VanDerWaalsContact CE1-OE1 3.28Å; H140-E144 IonicContact NE2-OE1 2.83Å; N142-E144 WeakPolarHBondContact CA-OE1 3.2Å; E144-H146 PolarHBondContact O-N 3.13Å; E144-L147 PolarHBondContact O-N 3.44Å; E144-L148 WeakPolarHBondContact O-CB 3.46Å; E144-L148 PolarHBondContact O-N 3.07Å
145K97Very high98.1Very high69 Ų6921.7 Ų21.730%0.310%0.102SC..Hα-helixtrans-67.8-34.9177.8-166.971.6-171.3178.90112.7E103 D104 L106 R143 L148 Y149E103-K145 PolarHBondContact O-NZ 2.91Å; D104-K145 PolarHBondContact O-NZ 3.42Å; L106-K145 PolarHBondContact O-NZ 2.88Å; R143-K145 VanDerWaalsContact C-N 3.34Å; R143-K145 PolarHBondContact O-N 3.04Å; K145-L148 HydrophobicContact CD-CD2 4.32Å; K145-L148 PolarHBondContact O-N 3.32Å; K145-Y149 HydrophobicContact CD-CE2 4.33Å; K145-Y149 WeakPolarHBondContact CE-OH 3.15Å; K145-Y149 HydrophobicContact CG-CD2 4.27Å; K145-Y149 HydrophobicContact CG-CE2 3.7Å; K145-Y149 WeakPolarHBondContact O-CD2 3.18Å; K145-Y149 PolarHBondContact O-N 3.33Å; K145-Y149 VanDerWaalsContact O-N 3.11Å
146H98.3Very high98.1Very high26 Ų2623.5 Ų23.512%0.1212%0.115CC..Hα-helixtrans-69.2-44.4176-67.367000110.3R143 E144 L148 Y149 L150 V205 V297R143-H146 HydrophobicContact CB-CB 4.46Å; R143-H146 PolarHBondContact NH1-CE1 2.98Å; R143-H146 PolarHBondContact NH1-NE2 3.42Å; R143-H146 WeakPolarHBondContact O-CB 3.4Å; R143-H146 PolarHBondContact O-N 3.18Å; E144-H146 PolarHBondContact O-N 3.13Å; H146-L148 VanDerWaalsContact C-N 3.3Å; H146-L148 PolarHBondContact O-N 3.02Å; H146-Y149 PolarHBondContact O-N 3.18Å; H146-L150 WeakPolarHBondContact O-CB 3.24Å; H146-L150 PolarHBondContact O-N 3.08Å; H146-V205 HydrophobicContact CB-CG1 4.31Å; H146-V205 HydrophobicContact CB-CG2 4.16Å; H146-V297 PolarHBondContact NE2-O 3.31Å
147L98.6Very high98.1Very high10 Ų1023.6 Ų23.65%0.05212%0.115CC..Hα-helixtrans-58.1-44.6174.6179.162.1000110.8I138 R143 E144 Y149 L150 L151 V169 V205 Y343I138-L147 HydrophobicContact CD1-CD1 4.4Å; R143-L147 PolarHBondContact O-N 2.9Å; E144-L147 PolarHBondContact O-N 3.44Å; L147-Y149 PolarHBondContact O-N 3.1Å; L147-L150 PolarHBondContact O-N 3.24Å; L147-L151 HydrophobicContact CD1-CD1 4.14Å; L147-L151 HydrophobicContact CD1-CD2 4.32Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.25Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.34Å; L147-L151 PolarHBondContact O-N 2.94Å; L147-V169 HydrophobicContact CD1-CG2 3.78Å; L147-V169 HydrophobicContact CD2-CG1 4.14Å; L147-V169 HydrophobicContact CD2-CG2 4.02Å; L147-V205 HydrophobicContact CB-CG2 3.83Å; L147-V205 HydrophobicContact CD1-CG2 4.23Å; L147-Y343 HydrophobicContact CD2-CE2 4.46Å
148L98.6Very high98.1Very high20 Ų2023.6 Ų23.611%0.10512%0.115CC..Hα-helixtrans-57.9-48.5176.9177.561.5000112.3L106 L108 V111 E144 K145 H146 L150 L151 H152L106-L148 HydrophobicContact CD2-CD1 4.48Å; L106-L148 HydrophobicContact CD2-CD2 4.44Å; L106-L148 HydrophobicContact CD2-CG 4.03Å; L106-L148 HydrophobicContact CG-CD1 4.48Å; L106-L148 HydrophobicContact CG-CD2 4.27Å; L106-L148 HydrophobicContact CG-CG 4.26Å; L106-L148 WeakPolarHBondContact O-CD2 3.25Å; L108-L148 HydrophobicContact CB-CD1 4.18Å; L108-L148 HydrophobicContact CD1-CD1 3.89Å; V111-L148 HydrophobicContact CG2-CD1 3.8Å; E144-L148 WeakPolarHBondContact O-CB 3.46Å; E144-L148 PolarHBondContact O-N 3.07Å; K145-L148 HydrophobicContact CD-CD2 4.32Å; K145-L148 PolarHBondContact O-N 3.32Å; H146-L148 VanDerWaalsContact C-N 3.3Å; H146-L148 PolarHBondContact O-N 3.02Å; L148-L150 VanDerWaalsContact C-N 3.31Å; L148-L150 PolarHBondContact O-N 3.4Å; L148-L151 PolarHBondContact O-N 3.36Å; L148-H152 WeakPolarHBondContact O-CB 3.4Å; L148-H152 PolarHBondContact O-N 3.19Å
149Y98.6Very high98.1Very high13 Ų1325.3 Ų25.35%0.05112%0.123CC..Hα-helixtrans-62.4-40.2175.9-68.4-43.7000112.4F102 E103 D104 L106 K145 H146 L147 H153 V297F102-Y149 HydrophobicContact CB-CD1 4.27Å; F102-Y149 HydrophobicContact CB-CE1 3.97Å; F102-Y149 HydrophobicContact CB-CE2 4.3Å; F102-Y149 AromaticContact CD1-CD1 3.99Å; F102-Y149 HydrophobicContact CD1-CD1 3.99Å; F102-Y149 HydrophobicContact CD1-CD2 4Å; F102-Y149 AromaticContact CD1-CG 3.71Å; F102-Y149 HydrophobicContact CD1-CG 3.71Å; F102-Y149 PolarHBondContact O-OH 3.03Å; F102-Y149 VanDerWaalsContact O-OH 3.1Å; E103-Y149 VanDerWaalsContact O-CE1 3.3Å; E103-Y149 WeakPolarHBondContact O-CE1 3.34Å; E103-Y149 PolarHBondContact O-OH 2.95Å; D104-Y149 PolarHBondContact OD1-OH 2.88Å; L106-Y149 HydrophobicContact CD2-CD1 3.88Å; L106-Y149 HydrophobicContact CD2-CE1 4.23Å; K145-Y149 HydrophobicContact CD-CE2 4.33Å; K145-Y149 WeakPolarHBondContact CE-OH 3.15Å; K145-Y149 HydrophobicContact CG-CD2 4.27Å; K145-Y149 HydrophobicContact CG-CE2 3.7Å; K145-Y149 WeakPolarHBondContact O-CD2 3.18Å; K145-Y149 PolarHBondContact O-N 3.33Å; K145-Y149 VanDerWaalsContact O-N 3.11Å; H146-Y149 PolarHBondContact O-N 3.18Å; L147-Y149 PolarHBondContact O-N 3.1Å; Y149-H153 PolarHBondContact O-CD2 2.95Å; Y149-H153 PolarHBondContact O-N 2.96Å; Y149-V297 HydrophobicContact CD2-CG1 4.03Å; Y149-V297 HydrophobicContact CE2-CG1 4.39Å
150L98.8Very high98.1Very high0 Ų026.9 Ų26.90%013%0.128CC..Hα-helixtrans-62.9-49.4177.5179.360.5000110.9I138 H146 L147 L148 H152 H153 L154 H203 V205 V208I138-L150 HydrophobicContact CD1-CD2 3.69Å; I138-L150 HydrophobicContact CG1-CD2 4.42Å; H146-L150 WeakPolarHBondContact O-CB 3.24Å; H146-L150 PolarHBondContact O-N 3.08Å; L147-L150 PolarHBondContact O-N 3.24Å; L148-L150 VanDerWaalsContact C-N 3.31Å; L148-L150 PolarHBondContact O-N 3.4Å; L150-H152 VanDerWaalsContact C-N 3.34Å; L150-H152 PolarHBondContact O-N 3.06Å; L150-H153 PolarHBondContact O-N 2.86Å; L150-L154 HydrophobicContact CD1-CB 4.04Å; L150-L154 HydrophobicContact CD1-CD2 4.08Å; L150-L154 HydrophobicContact CG-CB 4.33Å; L150-L154 HydrophobicContact CG-CD2 4.17Å; L150-L154 WeakPolarHBondContact O-CA 3.38Å; L150-L154 WeakPolarHBondContact O-CB 3.35Å; L150-L154 PolarHBondContact O-N 2.86Å; L150-H203 VanDerWaalsContact CD1-CE1 3.42Å; L150-H203 WeakPolarHBondContact CD1-CE1 3.1Å; L150-V205 HydrophobicContact CD2-CG2 4.43Å; L150-V208 HydrophobicContact CD1-CG2 4.2Å
151L98.8Very high98.1Very high1 Ų126.6 Ų26.61%0.00513%0.127CC..Hα-helixtrans-59.7-44.1179.9-66.8171.9000111.5L108 V111 L147 L148 H153 L154 H155 I167 L342 Y343L108-L151 HydrophobicContact CD1-CD1 4.17Å; V111-L151 HydrophobicContact CG1-CB 4.36Å; L147-L151 HydrophobicContact CD1-CD1 4.14Å; L147-L151 HydrophobicContact CD1-CD2 4.32Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.25Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.34Å; L147-L151 PolarHBondContact O-N 2.94Å; L148-L151 PolarHBondContact O-N 3.36Å; L151-H153 VanDerWaalsContact C-N 3.26Å; L151-H153 PolarHBondContact O-N 3.36Å; L151-L154 PolarHBondContact O-N 3.02Å; L151-H155 PolarHBondContact O-CD2 2.8Å; L151-H155 PolarHBondContact O-N 2.91Å; L151-H155 VanDerWaalsContact O-N 3.13Å; L151-I167 HydrophobicContact CD2-CD1 3.87Å; L151-I167 HydrophobicContact CD2-CG2 4.27Å; L151-L342 HydrophobicContact CD1-CB 4.33Å; L151-Y343 HydrophobicContact CD1-CD1 3.6Å; L151-Y343 HydrophobicContact CD1-CE1 3.91Å; L151-Y343 HydrophobicContact CD2-CD1 4.44Å
152H98.6Very high98.1Very high32 Ų3226.7 Ų26.715%0.14813%0.128CC..Hα-helixtrans-53.4-42.1177.4175.5-135.5000112.8L106 V111 E114 L148 L150 P156L106-H152 HydrophobicContact CD2-CB 3.8Å; V111-H152 HydrophobicContact CG1-CB 4.42Å; V111-H152 HydrophobicContact CG2-CB 3.76Å; E114-H152 IonicContact OE2-CD2 2.78Å; E114-H152 IonicContact OE2-NE2 3.38Å; L148-H152 WeakPolarHBondContact O-CB 3.4Å; L148-H152 PolarHBondContact O-N 3.19Å; L150-H152 VanDerWaalsContact C-N 3.34Å; L150-H152 PolarHBondContact O-N 3.06Å; H152-P156 VanDerWaalsContact O-CD 3.24Å; H152-P156 WeakPolarHBondContact O-CD 3.37Å; H152-P156 WeakPolarHBondContact O-CG 3Å
153H98.8Very high98.3Very high21 Ų2122 Ų2210%0.09710%0.103CC..Hα-helixtrans-90.4-35.1-178.9-68.8-58.8000113.5L100 T101 Y149 L150 L151 F157 V208L100-H153 HydrophobicContact CD2-CB 4.3Å; T101-H153 PolarHBondContact N-CE1 2.84Å; T101-H153 PolarHBondContact N-NE2 2.79Å; T101-H153 PolarHBondContact O-CE1 2.82Å; T101-H153 PolarHBondContact O-NE2 2.86Å; Y149-H153 PolarHBondContact O-CD2 2.95Å; Y149-H153 PolarHBondContact O-N 2.96Å; L150-H153 PolarHBondContact O-N 2.86Å; L151-H153 VanDerWaalsContact C-N 3.26Å; L151-H153 PolarHBondContact O-N 3.36Å; H153-F157 WeakPolarHBondContact O-CB 3.41Å; H153-F157 PolarHBondContact O-N 3.13Å; H153-V208 HydrophobicContact CB-CG1 3.42Å; H153-V208 VanDerWaalsContact CB-CG1 3.42Å
154L98.8Very high98.4Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-77.3-36.8-170.6-170.564000112.3I136 L150 L151 F157 L158 I167 P209 Y216I136-L154 HydrophobicContact CG2-CD2 4.27Å; L150-L154 HydrophobicContact CD1-CB 4.04Å; L150-L154 HydrophobicContact CD1-CD2 4.08Å; L150-L154 HydrophobicContact CG-CB 4.33Å; L150-L154 HydrophobicContact CG-CD2 4.17Å; L150-L154 WeakPolarHBondContact O-CA 3.38Å; L150-L154 WeakPolarHBondContact O-CB 3.35Å; L150-L154 PolarHBondContact O-N 2.86Å; L151-L154 PolarHBondContact O-N 3.02Å; L154-F157 HydrophobicContact CD1-CD1 4.13Å; L154-F157 WeakPolarHBondContact O-CB 3.35Å; L154-F157 PolarHBondContact O-N 2.95Å; L154-L158 HydrophobicContact CD1-CD1 4.12Å; L154-L158 HydrophobicContact CD1-CD2 4.25Å; L154-L158 HydrophobicContact CD1-CG 3.97Å; L154-L158 HydrophobicContact CD2-CD1 4.22Å; L154-L158 HydrophobicContact CG-CD1 3.72Å; L154-L158 HydrophobicContact CG-CG 4.02Å; L154-L158 WeakPolarHBondContact O-CB 3.29Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.07Å; L154-I167 HydrophobicContact CD2-CD1 4.17Å; L154-P209 HydrophobicContact CD1-CG 4.37Å; L154-Y216 HydrophobicContact CD1-CD1 4.3Å; L154-Y216 HydrophobicContact CD1-CE1 3.69Å
155H98.8Very high98.5Very high0 Ų016.8 Ų16.80%08%0.079CC..Hα-helixtrans-59.2-57.2177.3-78-62.3000113.5N115 L151 F157 L158 Q159 Y165 I167 L342N115-H155 HydrophobicContact CB-CB 4.26Å; N115-H155 WeakPolarHBondContact OD1-CB 2.99Å; L151-H155 PolarHBondContact O-CD2 2.8Å; L151-H155 PolarHBondContact O-N 2.91Å; L151-H155 VanDerWaalsContact O-N 3.13Å; H155-F157 PolarHBondContact O-N 3.06Å; H155-L158 PolarHBondContact O-N 3Å; H155-Q159 WeakPolarHBondContact O-CB 3.37Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3.15Å; H155-Q159 PolarHBondContact O-NE2 2.97Å; H155-Y165 AromaticContact ND1-CE2 3.84Å; H155-Y165 AromaticContact ND1-CZ 3.83Å; H155-Y165 PolarHBondContact ND1-OH 3.23Å; H155-I167 VanDerWaalsContact CE1-CD1 3.42Å; H155-I167 WeakPolarHBondContact CE1-CD1 3.07Å; H155-L342 PolarHBondContact CE1-O 3.01Å; H155-L342 PolarHBondContact NE2-O 3.38Å
156P98.6Very high98.6Very high39 Ų3913.5 Ų13.525%0.2537%0.065SC..Hα-helixtrans-65.6-30179.927.4-35.8000111.4N115 H152 R160N115-P156 WeakPolarHBondContact OD1-CD 3.39Å; H152-P156 VanDerWaalsContact O-CD 3.24Å; H152-P156 WeakPolarHBondContact O-CD 3.37Å; H152-P156 WeakPolarHBondContact O-CG 3Å; P156-R160 WeakPolarHBondContact O-CG 3.46Å; P156-R160 PolarHBondContact O-N 3.36Å; P156-R160 VanDerWaalsContact O-N 3.13Å; P156-R160 PolarHBondContact O-NH1 3.31Å; P156-R160 VanDerWaalsContact O-NH1 3.15Å
157F98.8Very high98.6Very high1 Ų112.2 Ų12.20%0.0046%0.059CC..Hα-helixtrans-59.4-51.3172.2177.8-78.9000112.4L98 H153 L154 H155 R160 Q161 P209 N211 D212 N214 Y216L98-F157 HydrophobicContact CD1-CD2 3.65Å; L98-F157 HydrophobicContact CD1-CE2 4.32Å; H153-F157 WeakPolarHBondContact O-CB 3.41Å; H153-F157 PolarHBondContact O-N 3.13Å; L154-F157 HydrophobicContact CD1-CD1 4.13Å; L154-F157 WeakPolarHBondContact O-CB 3.35Å; L154-F157 PolarHBondContact O-N 2.95Å; H155-F157 PolarHBondContact O-N 3.06Å; F157-R160 PolarHBondContact O-N 3.15Å; F157-Q161 VanDerWaalsContact CZ-NE2 3.3Å; F157-Q161 WeakPolarHBondContact O-CG 3.36Å; F157-Q161 PolarHBondContact O-N 2.75Å; F157-P209 HydrophobicContact CD1-CG 4.28Å; F157-P209 HydrophobicContact CD2-CB 4.24Å; F157-P209 HydrophobicContact CD2-CG 3.68Å; F157-P209 HydrophobicContact CE1-CG 4.09Å; F157-P209 HydrophobicContact CE2-CB 3.54Å; F157-P209 HydrophobicContact CE2-CG 3.45Å; F157-P209 VanDerWaalsContact CE2-CG 3.45Å; F157-P209 HydrophobicContact CG-CG 4.11Å; F157-P209 HydrophobicContact CZ-CB 3.74Å; F157-P209 HydrophobicContact CZ-CG 3.69Å; F157-N211 WeakPolarHBondContact CE2-O 3.36Å; F157-D212 HydrophobicContact CD2-CB 3.78Å; F157-D212 HydrophobicContact CE2-CB 3.78Å; F157-D212 HydrophobicContact CG-CB 4.42Å; F157-D212 HydrophobicContact CZ-CB 4.41Å; F157-N214 HydrophobicContact CZ-CB 4.42Å; F157-N214 VanDerWaalsContact CZ-O 3.28Å; F157-N214 WeakPolarHBondContact CZ-O 3.28Å; F157-Y216 AromaticContact CE1-CD2 3.44Å; F157-Y216 HydrophobicContact CE1-CD2 3.44Å; F157-Y216 VanDerWaalsContact CE1-CD2 3.44Å; F157-Y216 AromaticContact CE1-CE2 3.54Å; F157-Y216 HydrophobicContact CE1-CE2 3.54Å; F157-Y216 HydrophobicContact CE1-CG 4.05Å; F157-Y216 AromaticContact CZ-CD2 3.94Å; F157-Y216 HydrophobicContact CZ-CD2 3.94Å; F157-Y216 AromaticContact CZ-CE2 3.76Å; F157-Y216 HydrophobicContact CZ-CE2 3.76Å
158L98.7Very high98.6Very high0 Ų011.9 Ų11.90%06%0.057CC..Hα-helixtrans-71.2-36.2-178.7-65173.8000112.3I136 L154 H155 R160 Q161 Q162 L163 Y165 Y216I136-L158 HydrophobicContact CD1-CD1 4.38Å; I136-L158 HydrophobicContact CD1-CD2 4.5Å; I136-L158 HydrophobicContact CG1-CD1 3.98Å; L154-L158 HydrophobicContact CD1-CD1 4.12Å; L154-L158 HydrophobicContact CD1-CD2 4.25Å; L154-L158 HydrophobicContact CD1-CG 3.97Å; L154-L158 HydrophobicContact CD2-CD1 4.22Å; L154-L158 HydrophobicContact CG-CD1 3.72Å; L154-L158 HydrophobicContact CG-CG 4.02Å; L154-L158 WeakPolarHBondContact O-CB 3.29Å; L154-L158 VanDerWaalsContact O-CG 3.25Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.07Å; H155-L158 PolarHBondContact O-N 3Å; L158-R160 PolarHBondContact O-N 3.45Å; L158-Q161 WeakPolarHBondContact O-CB 3.16Å; L158-Q161 PolarHBondContact O-N 3.33Å; L158-Q162 PolarHBondContact O-N 3.49Å; L158-L163 HydrophobicContact CD2-CD1 3.79Å; L158-Y165 HydrophobicContact CB-CD1 3.75Å; L158-Y165 HydrophobicContact CB-CE1 3.46Å; L158-Y165 VanDerWaalsContact CB-CE1 3.46Å; L158-Y165 HydrophobicContact CB-CE2 4.33Å; L158-Y165 HydrophobicContact CB-CG 4.28Å; L158-Y165 HydrophobicContact CD1-CD1 4.32Å; L158-Y165 HydrophobicContact CD1-CD2 3.67Å; L158-Y165 HydrophobicContact CD1-CE1 4.3Å; L158-Y165 HydrophobicContact CD1-CE2 3.69Å; L158-Y165 HydrophobicContact CD1-CG 4.01Å; L158-Y216 HydrophobicContact CD2-CD1 3.69Å; L158-Y216 HydrophobicContact CD2-CG 3.77Å
159Q98.5Very high98.6Very high36 Ų3611 Ų1117%0.1685%0.052CC..Hα-helixtrans-60.7-43.7175.4-70.9171.757.600111.5N115 Y123 H155 Q161 Q162 Y165N115-Q159 PolarHBondContact OD1-NE2 3.44Å; Y123-Q159 HydrophobicContact CD1-CG 3.93Å; Y123-Q159 HydrophobicContact CD2-CG 3.79Å; Y123-Q159 HydrophobicContact CE1-CB 4.13Å; Y123-Q159 HydrophobicContact CE1-CG 3.83Å; Y123-Q159 HydrophobicContact CE2-CB 4.43Å; Y123-Q159 HydrophobicContact CE2-CG 3.69Å; Y123-Q159 HydrophobicContact CG-CG 3.91Å; H155-Q159 WeakPolarHBondContact O-CB 3.37Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3.15Å; H155-Q159 PolarHBondContact O-NE2 2.97Å; Q159-Q161 PolarHBondContact O-N 3.1Å; Q159-Q162 PolarHBondContact O-N 3.33Å; Q159-Y165 HydrophobicContact CG-CE1 4.25Å
160R98.4Very high98.7Very high41 Ų4110.3 Ų10.316%0.1555%0.05CC..Hα-helixtrans-63.5-23.4174.6-72.2-171.4-54.7-87.31.7112.9S91 L93 L94 L98 P156 F157 L158 Q162 D212S91-R160 WeakPolarHBondContact CB-O 3.44Å; S91-R160 PolarHBondContact OG-O 2.82Å; L93-R160 HydrophobicContact CB-CB 4.14Å; L93-R160 HydrophobicContact CB-CG 4.23Å; L93-R160 VanDerWaalsContact O-CD 3.3Å; L93-R160 WeakPolarHBondContact O-CD 3.5Å; L94-R160 HydrophobicContact CD2-CB 4.4Å; L94-R160 WeakPolarHBondContact CD2-O 3.5Å; L98-R160 VanDerWaalsContact CD1-NH2 3.26Å; L98-R160 VanDerWaalsContact CD2-NH2 3.33Å; P156-R160 WeakPolarHBondContact O-CG 3.46Å; P156-R160 PolarHBondContact O-N 3.36Å; P156-R160 VanDerWaalsContact O-N 3.13Å; P156-R160 PolarHBondContact O-NH1 3.31Å; P156-R160 VanDerWaalsContact O-NH1 3.15Å; F157-R160 PolarHBondContact O-N 3.15Å; L158-R160 PolarHBondContact O-N 3.45Å; R160-Q162 PolarHBondContact O-N 3.23Å; R160-D212 IonicContact CZ-OD2 3.74Å; R160-D212 IonicContact NE-OD2 3.89Å; R160-D212 PolarHBondContact NE-OD2 3.49Å; R160-D212 IonicContact NH2-OD2 3.16Å; R160-D212 PolarHBondContact NH2-OD2 2.8Å
161Q98.4Very high98.7Very high2 Ų212.5 Ų12.51%0.0096%0.06CC..THydrogen-bonded Turntrans-80.2-1.6174-65.7-174.76.700113.9L94 F157 L158 Q159 L163 D212 N214 L215L94-Q161 HydrophobicContact CD2-CG 3.79Å; F157-Q161 VanDerWaalsContact CZ-NE2 3.3Å; F157-Q161 WeakPolarHBondContact O-CG 3.36Å; F157-Q161 PolarHBondContact O-N 2.75Å; L158-Q161 WeakPolarHBondContact O-CB 3.16Å; L158-Q161 PolarHBondContact O-N 3.33Å; Q159-Q161 PolarHBondContact O-N 3.1Å; Q161-L163 VanDerWaalsContact C-N 3.28Å; Q161-L163 HydrophobicContact CB-CD1 4.09Å; Q161-L163 HydrophobicContact CB-CG 3.89Å; Q161-L163 PolarHBondContact O-N 2.99Å; Q161-D212 PolarHBondContact NE2-O 3.5Å; Q161-N214 PolarHBondContact NE2-O 3.2Å; Q161-L215 HydrophobicContact CG-CD2 4.16Å
162Q98.1Very high98.6Very high22 Ų2212.5 Ų12.510%0.1036%0.06CC..THydrogen-bonded Turntrans52.944.8-179.7-58.8-176-80.500112.6C87 S91 L93 P125 C128 L158 Q159 R160C87-Q162 HydrophobicContact CB-CB 4.18Å; S91-Q162 PolarHBondContact OG-OE1 3.07Å; L93-Q162 HydrophobicContact CD1-CG 3.91Å; P125-Q162 VanDerWaalsContact CG-C 3.5Å; P125-Q162 HydrophobicContact CG-CB 4.04Å; P125-Q162 WeakPolarHBondContact CG-O 3.46Å; C128-Q162 PolarHBondContact SG-NE2 3.03Å; L158-Q162 PolarHBondContact O-N 3.49Å; Q159-Q162 PolarHBondContact O-N 3.33Å; R160-Q162 PolarHBondContact O-N 3.23Å
163L97.9Very high98.6Very high0 Ų012 Ų120%06%0.061CC..  trans-88.2145.9175.9-60.3176.1000110.9Y123 P125 V134 L158 Q161 Y165 K217Y123-L163 WeakPolarHBondContact CD1-O 3.43Å; P125-L163 WeakPolarHBondContact CD-O 3.47Å; V134-L163 HydrophobicContact CG2-CD1 4.3Å; V134-L163 HydrophobicContact CG2-CD2 4.05Å; L158-L163 HydrophobicContact CD2-CD1 3.79Å; Q161-L163 VanDerWaalsContact C-N 3.28Å; Q161-L163 HydrophobicContact CB-CD1 4.09Å; Q161-L163 HydrophobicContact CB-CG 3.89Å; Q161-L163 PolarHBondContact O-N 2.99Å; L163-Y165 HydrophobicContact CB-CD1 4.08Å; L163-K217 HydrophobicContact CD2-CD 3.91Å; L163-K217 HydrophobicContact CD2-CG 3.47Å; L163-K217 VanDerWaalsContact CD2-CG 3.47Å
164H98.6Very high98.4Very high19 Ų1913.2 Ų13.29%0.0888%0.079CC..EExtended strand (participates in β ladder)trans-83.3118.3151.6170.8-130.7000105.8Y123 A130 Q132 S133 V134 Y195 W197Y123-H164 CarbonylContact O-C 3.55Å; Y123-H164 WeakPolarHBondContact O-CA 3.36Å; Y123-H164 PolarHBondContact O-CD2 2.75Å; A130-H164 HydrophobicContact CB-CB 3.65Å; Q132-H164 PolarHBondContact O-N 2.96Å; S133-H164 CarbonylContact C-O 3.57Å; S133-H164 VanDerWaalsContact CA-O 3.27Å; S133-H164 WeakPolarHBondContact CA-O 3.27Å; S133-H164 WeakPolarHBondContact CB-ND1 3.25Å; S133-H164 PolarHBondContact OG-ND1 2.61Å; V134-H164 PolarHBondContact N-O 2.85Å; H164-Y195 AromaticContact CE1-CE1 3.79Å; H164-Y195 AromaticContact CE1-CZ 3.69Å; H164-W197 AromaticContact CE1-CH2 3.84Å; H164-W197 AromaticContact CE1-CZ3 3.77Å; H164-W197 AromaticContact ND1-CZ3 3.93Å
165Y98.9Very high98.2Very high0 Ų020.6 Ų20.60%011%0.114CC..EExtended strand (participates in β ladder)trans-144.5156.5-175.775.1-92.9000112.8Q122 Y123 V134 H155 L158 Q159 L163 I167Q122-Y165 CarbonylContact C-O 3.59Å; Q122-Y165 WeakPolarHBondContact CA-O 3.27Å; Y123-Y165 VanDerWaalsContact CB-CE1 3.45Å; Y123-Y165 AromaticContact CD1-CD1 3.88Å; Y123-Y165 HydrophobicContact CD1-CD1 3.88Å; Y123-Y165 AromaticContact CD1-CE1 3.46Å; Y123-Y165 HydrophobicContact CD1-CE1 3.46Å; Y123-Y165 VanDerWaalsContact CD1-CE1 3.46Å; Y123-Y165 HydrophobicContact CE1-CE1 4.47Å; Y123-Y165 HydrophobicContact CG-CD1 4.38Å; Y123-Y165 AromaticContact CG-CE1 3.71Å; Y123-Y165 HydrophobicContact CG-CE1 3.71Å; Y123-Y165 PolarHBondContact N-O 3.05Å; Y123-Y165 PolarHBondContact O-N 3.4Å; V134-Y165 WeakPolarHBondContact O-CA 3.25Å; V134-Y165 WeakPolarHBondContact O-CB 3.48Å; H155-Y165 AromaticContact ND1-CE2 3.84Å; H155-Y165 AromaticContact ND1-CZ 3.83Å; H155-Y165 PolarHBondContact ND1-OH 3.23Å; L158-Y165 HydrophobicContact CB-CD1 3.75Å; L158-Y165 HydrophobicContact CB-CE1 3.46Å; L158-Y165 VanDerWaalsContact CB-CE1 3.46Å; L158-Y165 HydrophobicContact CB-CE2 4.33Å; L158-Y165 HydrophobicContact CB-CG 4.28Å; L158-Y165 HydrophobicContact CD1-CD1 4.32Å; L158-Y165 HydrophobicContact CD1-CD2 3.67Å; L158-Y165 HydrophobicContact CD1-CE1 4.3Å; L158-Y165 HydrophobicContact CD1-CE2 3.69Å; L158-Y165 HydrophobicContact CD1-CG 4.01Å; Q159-Y165 HydrophobicContact CG-CE1 4.25Å; L163-Y165 HydrophobicContact CB-CD1 4.08Å; Y165-I167 HydrophobicContact CD2-CG1 4.05Å; Y165-I167 HydrophobicContact CE2-CD1 4.16Å; Y165-I167 HydrophobicContact CE2-CG1 3.95Å
166S98.9Very high98Very high0 Ų022.4 Ų22.40%013%0.125CC..EExtended strand (participates in β ladder)trans-131.3141.7167-68.50000110.9G121 Q122 V134 I136 W197G121-S166 VanDerWaalsContact O-CA 3.27Å; G121-S166 WeakPolarHBondContact O-CA 3.16Å; Q122-S166 WeakPolarHBondContact CG-OG 3.19Å; Q122-S166 PolarHBondContact NE2-OG 3.42Å; V134-S166 PolarHBondContact O-N 3.45Å; V134-S166 VanDerWaalsContact O-N 3.08Å; I136-S166 PolarHBondContact N-O 3.49Å; S166-W197 VanDerWaalsContact CB-CH2 3.47Å; S166-W197 VanDerWaalsContact CB-CZ2 3.42Å; S166-W197 WeakPolarHBondContact OG-CH2 3.38Å; S166-W197 WeakPolarHBondContact OG-CZ2 3.29Å
167I98.9Very high97.9Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-100.4118.1173.7-58.7-176000109.1G121 I136 I138 L151 L154 H155 Y165 V169 Y343 I344G121-I167 PolarHBondContact O-N 3.26Å; I136-I167 HydrophobicContact CB-CG1 4.25Å; I136-I167 HydrophobicContact CG1-CG1 4.36Å; I138-I167 HydrophobicContact CD1-CG2 3.61Å; L151-I167 HydrophobicContact CD2-CD1 3.87Å; L151-I167 HydrophobicContact CD2-CG2 4.27Å; L154-I167 HydrophobicContact CD2-CD1 4.17Å; H155-I167 VanDerWaalsContact CE1-CD1 3.42Å; H155-I167 WeakPolarHBondContact CE1-CD1 3.07Å; Y165-I167 HydrophobicContact CD2-CG1 4.05Å; Y165-I167 HydrophobicContact CE2-CD1 4.16Å; Y165-I167 HydrophobicContact CE2-CG1 3.95Å; I167-V169 HydrophobicContact CG2-CG2 4.44Å; I167-Y343 CarbonylContact O-C 3.33Å; I167-Y343 WeakPolarHBondContact O-CA 3.06Å; I167-I344 PolarHBondContact O-N 3.32Å
168Y98.9Very high97.8Very high2 Ų223.9 Ų23.91%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-103.9122173-64.8-94000109.2A135 I136 L137 I138 I170 A191 D194 W197 I344 V346A135-Y168 HydrophobicContact CB-CD2 4.21Å; A135-Y168 HydrophobicContact CB-CE2 4.07Å; I136-Y168 PolarHBondContact O-N 3.44Å; L137-Y168 HydrophobicContact CD2-CD2 3.93Å; L137-Y168 HydrophobicContact CD2-CG 4.09Å; I138-Y168 PolarHBondContact N-O 3.05Å; Y168-I170 WeakPolarHBondContact O-CD1 3.39Å; Y168-A191 HydrophobicContact CD1-CB 4.44Å; Y168-A191 HydrophobicContact CD2-CB 4.01Å; Y168-A191 HydrophobicContact CE1-CB 4.15Å; Y168-A191 HydrophobicContact CE2-CB 3.67Å; Y168-A191 HydrophobicContact CG-CB 4.39Å; Y168-D194 VanDerWaalsContact CE1-OD2 3.28Å; Y168-D194 WeakPolarHBondContact CE1-OD2 3.41Å; Y168-D194 WeakPolarHBondContact OH-CB 3.48Å; Y168-D194 PolarHBondContact OH-OD2 2.91Å; Y168-W197 HydrophobicContact CE2-CZ2 4.19Å; Y168-W197 AromaticContact CE2-NE1 3.96Å; Y168-W197 PolarHBondContact OH-NE1 3.44Å; Y168-I344 WeakPolarHBondContact CA-O 3.33Å; Y168-I344 HydrophobicContact CD1-CB 3.94Å; Y168-I344 HydrophobicContact CD1-CD1 4.05Å; Y168-I344 HydrophobicContact CD1-CG2 3.97Å; Y168-I344 HydrophobicContact CE1-CB 4.14Å; Y168-I344 HydrophobicContact CE1-CD1 3.47Å; Y168-I344 VanDerWaalsContact CE1-CD1 3.47Å; Y168-I344 HydrophobicContact CE1-CG1 4.42Å; Y168-I344 HydrophobicContact CE1-CG2 4.04Å; Y168-I344 HydrophobicContact CE2-CD1 4.24Å; Y168-V346 HydrophobicContact CD1-CG2 4.29Å
169V98.9Very high97.8Very high1 Ų123.9 Ų23.91%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-100.8112.5170178.80000107.4H140 L147 I167 H171 Y343 I344 V346H140-V169 HydrophobicContact CB-CG1 3.54Å; L147-V169 HydrophobicContact CD1-CG2 3.78Å; L147-V169 HydrophobicContact CD2-CG1 4.14Å; L147-V169 HydrophobicContact CD2-CG2 4.02Å; I167-V169 HydrophobicContact CG2-CG2 4.44Å; V169-H171 PolarHBondContact O-N 2.88Å; V169-Y343 HydrophobicContact CB-CD2 3.81Å; V169-Y343 HydrophobicContact CB-CE2 4.23Å; V169-Y343 HydrophobicContact CG2-CD2 3.46Å; V169-Y343 VanDerWaalsContact CG2-CD2 3.46Å; V169-Y343 HydrophobicContact CG2-CE2 4.1Å; V169-Y343 HydrophobicContact CG2-CG 3.86Å; V169-I344 PolarHBondContact N-O 3.26Å; V169-V346 PolarHBondContact O-N 3.44Å
170I98.9Very high97.8Very high0 Ų023.4 Ų23.40%013%0.128CC..EExtended strand (participates in β ladder)trans-96.996-176-56.561000106.7L137 I138 H140 Y168 L183 V186 G187 V346 V348L137-I170 HydrophobicContact CB-CD1 4.22Å; L137-I170 HydrophobicContact CD2-CD1 4.47Å; I138-I170 PolarHBondContact O-N 3.45Å; H140-I170 PolarHBondContact N-O 2.9Å; Y168-I170 WeakPolarHBondContact O-CD1 3.39Å; I170-L183 HydrophobicContact CB-CB 4.38Å; I170-L183 HydrophobicContact CG2-CB 3.96Å; I170-L183 HydrophobicContact CG2-CD2 3.76Å; I170-L183 HydrophobicContact CG2-CG 4.45Å; I170-V186 HydrophobicContact CG2-CB 4.25Å; I170-V186 HydrophobicContact CG2-CG1 4.01Å; I170-G187 VanDerWaalsContact CG1-CA 3.41Å; I170-V346 CarbonylContact C-O 3.6Å; I170-V348 HydrophobicContact CG2-CG2 3.96Å
171H98.8Very high97.8Very high46 Ų4621.5 Ų21.521%0.21312%0.12CC..EExtended strand (participates in β ladder)trans-85.6119.4-175.5-174.980.2000111H140 V169 A173 V346 T347 V348H140-H171 AromaticContact ND1-ND1 3.31Å; H140-H171 PolarHBondContact ND1-ND1 3.36Å; H140-H171 WeakPolarHBondContact O-CA 3.42Å; V169-H171 PolarHBondContact O-N 2.88Å; H171-A173 PolarHBondContact O-N 3.19Å; H171-V346 PolarHBondContact N-O 3.39Å; H171-T347 WeakPolarHBondContact O-CA 3.46Å; H171-V348 PolarHBondContact O-N 2.73Å
172Q98.6Very high97.8Very high1 Ų122.4 Ų22.41%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-79.6114.5174.9-172.6175.3-37.200110.5H140 R141 V176 T177 F178 L183 I350H140-Q172 PolarHBondContact O-N 2.96Å; R141-Q172 WeakPolarHBondContact CD-O 3.3Å; Q172-V176 PolarHBondContact NE2-O 3.21Å; Q172-T177 PolarHBondContact NE2-O 3.03Å; Q172-F178 HydrophobicContact CB-CD2 4.38Å; Q172-F178 HydrophobicContact CB-CE2 4.35Å; Q172-L183 HydrophobicContact CB-CD1 3.88Å; Q172-L183 HydrophobicContact CB-CD2 3.77Å; Q172-L183 HydrophobicContact CB-CG 4.39Å; Q172-L183 HydrophobicContact CG-CD2 4.26Å; Q172-I350 VanDerWaalsContact CD-CD1 3.46Å; Q172-I350 HydrophobicContact CG-CD1 3.95Å; Q172-I350 HydrophobicContact CG-CG1 4.03Å
173A97.9Very high97.9Very high21 Ų2121.3 Ų21.317%0.17412%0.119CC..  trans-71151.2175.200000112.2H171 L335 T347 V348H171-A173 PolarHBondContact O-N 3.19Å; A173-L335 HydrophobicContact CB-CD1 3.59Å; A173-T347 HydrophobicContact CB-CG2 4.07Å; A173-V348 WeakPolarHBondContact CB-O 3.2Å; A173-V348 PolarHBondContact N-O 2.75Å
174G94.8Very high97.9Very high46 Ų4621.3 Ų21.347%0.47412%0.119SC..SBendtrans73.5-177.4176.600000114.8R141R141-G174 PolarHBondContact NH1-O 3.21Å
175E93.7Very high97.9Very high156 Ų15620.4 Ų20.473%0.72912%0.115SC*.SBendtrans-104.65.4-169.4-60.9-57.8132.300113.7
176V94.4Very high98Very high38 Ų3820.4 Ų20.423%0.2312%0.115CC..SBendtrans-63161.6179.2-57.20000110.7R141 Q172 F178 W264 E352R141-V176 PolarHBondContact NH1-O 3.07Å; R141-V176 PolarHBondContact NH2-O 3.22Å; Q172-V176 PolarHBondContact NE2-O 3.21Å; V176-F178 PolarHBondContact O-N 3.34Å; V176-W264 HydrophobicContact CG2-CZ3 4.38Å; V176-E352 HydrophobicContact CG1-CG 3.83Å
177T96.3Very high98Very high44 Ų4420.4 Ų20.427%0.2712%0.115SC..PPolyproline II helixtrans-52138.5-178.8-51.70000111.6Q172 W264 G265 G304Q172-T177 PolarHBondContact NE2-O 3.03Å; T177-W264 HydrophobicContact CG2-CB 4.17Å; T177-W264 VanDerWaalsContact O-CZ3 3.23Å; T177-W264 WeakPolarHBondContact O-CZ3 3.18Å; T177-G265 VanDerWaalsContact CG2-N 3.29Å; T177-G304 CarbonylContact C-O 3.58Å; T177-G304 WeakPolarHBondContact CA-O 3.31Å; T177-G304 WeakPolarHBondContact CG2-O 3.27Å
178F97.9Very high97.9Very high26 Ų2620.7 Ų20.711%0.11412%0.116CC..PPolyproline II helixtrans-67.4138-179.7-170-112.2000110.5P139 R141 Q172 V176 R180 L183 G265 G304 N305P139-F178 HydrophobicContact CB-CZ 4.07Å; R141-F178 HydrophobicContact CB-CD2 4.1Å; R141-F178 HydrophobicContact CB-CE2 3.98Å; Q172-F178 HydrophobicContact CB-CD2 4.38Å; Q172-F178 HydrophobicContact CB-CE2 4.35Å; V176-F178 PolarHBondContact O-N 3.34Å; F178-R180 HydrophobicContact CD1-CB 4.27Å; F178-R180 HydrophobicContact CE1-CB 3.81Å; F178-R180 HydrophobicContact CE1-CG 4.49Å; F178-L183 HydrophobicContact CD2-CD1 4.02Å; F178-L183 HydrophobicContact CE1-CD1 4.39Å; F178-L183 HydrophobicContact CE2-CD1 3.29Å; F178-L183 HydrophobicContact CZ-CD1 3.52Å; F178-G265 PolarHBondContact O-N 3.28Å; F178-G304 PolarHBondContact N-O 3.42Å; F178-N305 HydrophobicContact CB-CB 4.29Å
179N98.4Very high97.9Very high0 Ų022.9 Ų22.90%013%0.128CC..  trans-129.783.4177.2-170.2-27000110.6A181 K182 L183 N261 Y263 W264 I350N179-A181 VanDerWaalsContact C-N 3.3Å; N179-A181 PolarHBondContact O-N 2.95Å; N179-K182 HydrophobicContact CB-CB 4.12Å; N179-K182 PolarHBondContact O-N 3.16Å; N179-K182 WeakPolarHBondContact OD1-CB 3.36Å; N179-K182 PolarHBondContact OD1-N 2.77Å; N179-L183 VanDerWaalsContact O-CG 3.29Å; N179-L183 WeakPolarHBondContact O-CG 3.42Å; N179-L183 PolarHBondContact O-N 3.21Å; N179-N261 PolarHBondContact ND2-O 3.19Å; N179-Y263 PolarHBondContact OD1-O 2.87Å; N179-W264 HydrophobicContact CB-CD2 4.07Å; N179-W264 HydrophobicContact CB-CE3 3.68Å; N179-W264 HydrophobicContact CB-CH2 4.34Å; N179-W264 HydrophobicContact CB-CZ3 3.83Å; N179-W264 VanDerWaalsContact ND2-CE2 3.33Å; N179-I350 HydrophobicContact CB-CD1 3.69Å
180R98.5Very high97.9Very high27 Ų2723.5 Ų23.510%0.10213%0.13CC..Hα-helixtrans-49.5-50179.1-178-177170.4-78.9-13.4112.3P139 F178 L183 L184 D204 G244 E269P139-R180 HydrophobicContact CB-CG 4.35Å; P139-R180 HydrophobicContact CG-CG 3.79Å; F178-R180 HydrophobicContact CD1-CB 4.27Å; F178-R180 HydrophobicContact CE1-CB 3.81Å; F178-R180 HydrophobicContact CE1-CG 4.49Å; R180-L183 PolarHBondContact O-N 3.04Å; R180-L184 HydrophobicContact CG-CD1 4.28Å; R180-L184 WeakPolarHBondContact O-CG 3.34Å; R180-L184 PolarHBondContact O-N 3.27Å; R180-L184 VanDerWaalsContact O-N 3.08Å; R180-D204 IonicContact CZ-OD1 3.39Å; R180-D204 IonicContact NE-OD1 3.93Å; R180-D204 PolarHBondContact NE-OD1 3.49Å; R180-D204 IonicContact NE-OD2 2.94Å; R180-D204 IonicContact NH2-OD1 3.06Å; R180-D204 PolarHBondContact NH2-OD1 2.73Å; R180-G244 PolarHBondContact NH2-O 3.36Å; R180-E269 WeakPolarHBondContact CD-OE1 3.43Å; R180-E269 IonicContact CZ-OE1 2.62Å; R180-E269 IonicContact NE-OE1 3.86Å; R180-E269 IonicContact NH1-OE1 3.48Å; R180-E269 PolarHBondContact NH1-OE1 3.08Å
181A98.7Very high97.9Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-61-47.2-175.100000112.3N179 L184 N185 F259 S260 E269N179-A181 VanDerWaalsContact C-N 3.3Å; N179-A181 PolarHBondContact O-N 2.95Å; A181-L184 PolarHBondContact O-N 3.44Å; A181-N185 PolarHBondContact O-N 3.16Å; A181-N185 VanDerWaalsContact O-N 3.17Å; A181-F259 HydrophobicContact CB-CB 3.96Å; A181-F259 HydrophobicContact CB-CD1 4.48Å; A181-F259 HydrophobicContact CB-CG 4.41Å; A181-S260 WeakPolarHBondContact CB-O 3.37Å; A181-E269 HydrophobicContact CB-CB 3.78Å; A181-E269 HydrophobicContact CB-CG 3.84Å
182K98.8Very high97.9Very high21 Ų2123.8 Ų23.89%0.09113%0.133CC..Hα-helixtrans-66.8-40.4178.9-170.4169.2-177.4-176.30111.7N179 L184 N185 V186 N261 S331 I350N179-K182 HydrophobicContact CB-CB 4.12Å; N179-K182 PolarHBondContact O-N 3.16Å; N179-K182 WeakPolarHBondContact OD1-CB 3.36Å; N179-K182 PolarHBondContact OD1-N 2.77Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.12Å; K182-N185 WeakPolarHBondContact O-CB 3.25Å; K182-N185 PolarHBondContact O-N 2.92Å; K182-V186 WeakPolarHBondContact O-CG2 3.2Å; K182-V186 PolarHBondContact O-N 3.21Å; K182-N261 HydrophobicContact CD-CB 4.08Å; K182-N261 HydrophobicContact CG-CB 4.25Å; K182-S331 WeakPolarHBondContact CE-O 3.42Å; K182-S331 PolarHBondContact NZ-O 3.19Å; K182-I350 HydrophobicContact CD-CB 4.04Å; K182-I350 HydrophobicContact CD-CD1 4.38Å; K182-I350 HydrophobicContact CG-CB 4.47Å; K182-I350 PolarHBondContact NZ-O 2.89Å
183L98.9Very high97.9Very high0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-61.9-36.2175.2-65.5166.3000112.1P139 I170 Q172 F178 N179 R180 V186 G187 V348 I350P139-L183 HydrophobicContact CB-CB 3.79Å; P139-L183 HydrophobicContact CB-CD1 3.94Å; I170-L183 HydrophobicContact CB-CB 4.38Å; I170-L183 HydrophobicContact CG2-CB 3.96Å; I170-L183 HydrophobicContact CG2-CD2 3.76Å; I170-L183 HydrophobicContact CG2-CG 4.45Å; Q172-L183 HydrophobicContact CB-CD1 3.88Å; Q172-L183 HydrophobicContact CB-CD2 3.77Å; Q172-L183 HydrophobicContact CB-CG 4.39Å; Q172-L183 HydrophobicContact CG-CD2 4.26Å; F178-L183 HydrophobicContact CD2-CD1 4.02Å; F178-L183 HydrophobicContact CE1-CD1 4.39Å; F178-L183 HydrophobicContact CE2-CD1 3.29Å; F178-L183 HydrophobicContact CZ-CD1 3.52Å; N179-L183 VanDerWaalsContact O-CG 3.29Å; N179-L183 WeakPolarHBondContact O-CG 3.42Å; N179-L183 PolarHBondContact O-N 3.21Å; R180-L183 PolarHBondContact O-N 3.04Å; L183-V186 WeakPolarHBondContact O-CB 3.02Å; L183-V186 PolarHBondContact O-N 3.11Å; L183-G187 PolarHBondContact O-N 3.3Å; L183-V348 HydrophobicContact CD2-CG2 3.79Å; L183-I350 HydrophobicContact CD2-CD1 4.24Å; L183-I350 HydrophobicContact CD2-CG2 4Å; L183-I350 HydrophobicContact CG-CD1 4.37Å
184L98.9Very high97.8Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-67.8-37175.2-68.2172.7000112.5L137 P139 R180 A181 K182 G187 Y188 F202 F259L137-L184 HydrophobicContact CB-CD2 4.17Å; P139-L184 HydrophobicContact CB-CD2 4.3Å; P139-L184 HydrophobicContact CB-CG 4.4Å; P139-L184 HydrophobicContact CG-CD2 3.82Å; P139-L184 HydrophobicContact CG-CG 4.08Å; R180-L184 HydrophobicContact CG-CD1 4.28Å; R180-L184 WeakPolarHBondContact O-CG 3.34Å; R180-L184 PolarHBondContact O-N 3.27Å; R180-L184 VanDerWaalsContact O-N 3.08Å; A181-L184 PolarHBondContact O-N 3.44Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.12Å; L184-G187 PolarHBondContact O-N 2.95Å; L184-Y188 PolarHBondContact O-N 3.5Å; L184-Y188 VanDerWaalsContact O-N 3.08Å; L184-F202 HydrophobicContact CB-CD1 3.94Å; L184-F202 HydrophobicContact CD1-CB 4.02Å; L184-F202 HydrophobicContact CD1-CD1 4.44Å; L184-F202 HydrophobicContact CD2-CB 3.98Å; L184-F202 HydrophobicContact CD2-CD1 4.02Å; L184-F202 HydrophobicContact CG-CD1 4.33Å; L184-F259 HydrophobicContact CB-CD2 3.74Å; L184-F259 HydrophobicContact CB-CE2 3.68Å; L184-F259 HydrophobicContact CD1-CD2 4.23Å; L184-F259 HydrophobicContact CD1-CE1 4.36Å; L184-F259 HydrophobicContact CD1-CE2 3.62Å; L184-F259 HydrophobicContact CD1-CZ 3.68Å; L184-F259 HydrophobicContact CG-CE2 4.29Å
185N98.9Very high98Very high0 Ų034.9 Ų34.90%017%0.165CC..Hα-helixtrans-61.9-44.5169.6-77.6-16.7000111.5A181 K182 Y188 L189 F253 F259 N261 L327 C330A181-N185 PolarHBondContact O-N 3.16Å; A181-N185 VanDerWaalsContact O-N 3.17Å; K182-N185 WeakPolarHBondContact O-CB 3.25Å; K182-N185 PolarHBondContact O-N 2.92Å; N185-Y188 WeakPolarHBondContact O-CB 3.42Å; N185-Y188 PolarHBondContact O-N 3.48Å; N185-L189 WeakPolarHBondContact O-CG 3.27Å; N185-L189 PolarHBondContact O-N 2.98Å; N185-F253 VanDerWaalsContact OD1-CZ 3.3Å; N185-F253 WeakPolarHBondContact OD1-CZ 2.98Å; N185-F259 PolarHBondContact ND2-O 3.28Å; N185-F259 PolarHBondContact OD1-N 2.95Å; N185-N261 PolarHBondContact ND2-OD1 3.09Å; N185-L327 HydrophobicContact CB-CD2 4.1Å; N185-C330 HydrophobicContact CB-CB 4.33Å
186V98.9Very high98.1Very high0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-59.6-47.4175.9172.20000110.8I170 K182 L183 Y188 L189 E190 Y332 V348 I350I170-V186 HydrophobicContact CG2-CB 4.25Å; I170-V186 HydrophobicContact CG2-CG1 4.01Å; K182-V186 WeakPolarHBondContact O-CG2 3.2Å; K182-V186 PolarHBondContact O-N 3.21Å; L183-V186 WeakPolarHBondContact O-CB 3.02Å; L183-V186 PolarHBondContact O-N 3.11Å; V186-Y188 VanDerWaalsContact C-N 3.29Å; V186-Y188 PolarHBondContact O-N 2.9Å; V186-L189 PolarHBondContact O-N 3.13Å; V186-L189 VanDerWaalsContact O-N 3.09Å; V186-E190 HydrophobicContact CG1-CG 4.06Å; V186-E190 WeakPolarHBondContact O-CG 3.37Å; V186-E190 PolarHBondContact O-N 3.33Å; V186-Y332 HydrophobicContact CG1-CD2 3.8Å; V186-Y332 HydrophobicContact CG1-CE2 3.7Å; V186-Y332 HydrophobicContact CG1-CG 4.28Å; V186-Y332 HydrophobicContact CG2-CD1 3.68Å; V186-Y332 HydrophobicContact CG2-CD2 4Å; V186-Y332 HydrophobicContact CG2-CE1 4.12Å; V186-Y332 HydrophobicContact CG2-CE2 4.41Å; V186-Y332 HydrophobicContact CG2-CG 3.61Å; V186-V348 HydrophobicContact CG1-CB 4.36Å; V186-V348 HydrophobicContact CG1-CG1 3.76Å; V186-V348 HydrophobicContact CG1-CG2 4.14Å; V186-I350 HydrophobicContact CG2-CG2 4.23Å
187G98.9Very high98.3Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-57.2-41.5177.400000112.9I170 L183 L184 A191I170-G187 VanDerWaalsContact CG1-CA 3.41Å; L183-G187 PolarHBondContact O-N 3.3Å; L184-G187 PolarHBondContact O-N 2.95Å; G187-A191 WeakPolarHBondContact O-CB 3.25Å; G187-A191 PolarHBondContact O-N 3.26Å
188Y98.9Very high98.4Very high6 Ų632.4 Ų32.42%0.02415%0.154CC..Hα-helixtrans-61.6-46.4174.6174.3-92.2000111.6L137 L184 N185 V186 L192 F200 K250 F253 L327L137-Y188 VanDerWaalsContact CD1-N 3.33Å; L184-Y188 PolarHBondContact O-N 3.5Å; L184-Y188 VanDerWaalsContact O-N 3.08Å; N185-Y188 WeakPolarHBondContact O-CB 3.42Å; N185-Y188 PolarHBondContact O-N 3.48Å; V186-Y188 VanDerWaalsContact C-N 3.29Å; V186-Y188 PolarHBondContact O-N 2.9Å; Y188-L192 HydrophobicContact CD1-CD1 3.94Å; Y188-L192 HydrophobicContact CE1-CD1 3.39Å; Y188-L192 HydrophobicContact CE2-CD1 4.25Å; Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 3.35Å; Y188-F200 HydrophobicContact CD2-CB 4.43Å; Y188-F200 AromaticContact CD2-CD1 3.5Å; Y188-F200 HydrophobicContact CD2-CD1 3.5Å; Y188-F200 AromaticContact CD2-CD2 3.71Å; Y188-F200 HydrophobicContact CD2-CD2 3.71Å; Y188-F200 AromaticContact CD2-CE1 3.51Å; Y188-F200 HydrophobicContact CD2-CE1 3.51Å; Y188-F200 AromaticContact CD2-CE2 3.76Å; Y188-F200 HydrophobicContact CD2-CE2 3.76Å; Y188-F200 AromaticContact CD2-CG 3.59Å; Y188-F200 HydrophobicContact CD2-CG 3.59Å; Y188-F200 AromaticContact CD2-CZ 3.64Å; Y188-F200 HydrophobicContact CD2-CZ 3.64Å; Y188-F200 HydrophobicContact CE2-CD1 4.18Å; Y188-F200 AromaticContact CE2-CD2 3.56Å; Y188-F200 HydrophobicContact CE2-CD2 3.56Å; Y188-F200 AromaticContact CE2-CE1 3.98Å; Y188-F200 HydrophobicContact CE2-CE1 3.98Å; Y188-F200 AromaticContact CE2-CE2 3.38Å; Y188-F200 HydrophobicContact CE2-CE2 3.38Å; Y188-F200 AromaticContact CE2-CG 3.96Å; Y188-F200 HydrophobicContact CE2-CG 3.96Å; Y188-F200 AromaticContact CE2-CZ 3.59Å; Y188-F200 HydrophobicContact CE2-CZ 3.59Å; Y188-F200 HydrophobicContact CG-CD1 4.39Å; Y188-F200 HydrophobicContact CG-CE1 4.26Å; Y188-K250 PolarHBondContact OH-O 3.13Å; Y188-F253 AromaticContact CD1-CD1 3.89Å; Y188-F253 HydrophobicContact CD1-CD1 3.89Å; Y188-F253 AromaticContact CD1-CE1 3.94Å; Y188-F253 HydrophobicContact CD1-CE1 3.94Å; Y188-F253 AromaticContact CD2-CD1 3.34Å; Y188-F253 HydrophobicContact CD2-CD1 3.34Å; Y188-F253 AromaticContact CD2-CE1 3.8Å; Y188-F253 HydrophobicContact CD2-CE1 3.8Å; Y188-F253 HydrophobicContact CD2-CG 4.23Å; Y188-F253 HydrophobicContact CE1-CD1 4.05Å; Y188-F253 HydrophobicContact CE2-CB 4.11Å; Y188-F253 AromaticContact CE2-CD1 3.53Å; Y188-F253 HydrophobicContact CE2-CD1 3.53Å; Y188-F253 HydrophobicContact CE2-CE1 4.39Å; Y188-F253 HydrophobicContact CE2-CG 4.24Å; Y188-F253 AromaticContact CG-CD1 3.53Å; Y188-F253 HydrophobicContact CG-CD1 3.53Å; Y188-F253 AromaticContact CG-CE1 3.54Å; Y188-F253 HydrophobicContact CG-CE1 3.54Å; Y188-F253 AromaticContact CZ-CD1 3.88Å; Y188-L327 HydrophobicContact CD1-CD1 4.19Å; Y188-L327 HydrophobicContact CD1-CD2 3.79Å; Y188-L327 HydrophobicContact CE1-CD1 3.86Å; Y188-L327 HydrophobicContact CE1-CD2 4.27Å
189L98.9Very high98.5Very high48 Ų4831.2 Ų31.225%0.25115%0.149SC..Hα-helixtrans-67.7-38.9-179.4-67.6171.1000112.7N185 V186 L327 C330 Y332N185-L189 WeakPolarHBondContact O-CG 3.27Å; N185-L189 PolarHBondContact O-N 2.98Å; V186-L189 PolarHBondContact O-N 3.13Å; V186-L189 VanDerWaalsContact O-N 3.09Å; L189-L327 HydrophobicContact CD1-CD2 4.43Å; L189-L327 HydrophobicContact CD2-CD2 4.24Å; L189-L327 HydrophobicContact CG-CD2 4.17Å; L189-C330 HydrophobicContact CD1-CB 4.1Å; L189-Y332 HydrophobicContact CD1-CE1 3.82Å
190E98.8Very high98.5Very high13 Ų1331.2 Ų31.26%0.06115%0.149CC..Hα-helixtrans-71.7-44176.7-66.9-60.4122.700111.9V186 L192 K193 Y332 T334 V346V186-E190 HydrophobicContact CG1-CG 4.06Å; V186-E190 WeakPolarHBondContact O-CG 3.37Å; V186-E190 PolarHBondContact O-N 3.33Å; E190-L192 PolarHBondContact O-N 3.35Å; E190-K193 WeakPolarHBondContact O-CB 3.42Å; E190-K193 PolarHBondContact O-N 2.96Å; E190-K193 WeakPolarHBondContact OE1-CE 3.04Å; E190-K193 IonicContact OE1-NZ 3.79Å; E190-K193 PolarHBondContact OE1-NZ 3.15Å; E190-K193 IonicContact OE2-NZ 2.8Å; E190-K193 PolarHBondContact OE2-NZ 2.9Å; E190-Y332 HydrophobicContact CG-CE2 4.35Å; E190-Y332 WeakPolarHBondContact OE1-CE2 3.42Å; E190-Y332 VanDerWaalsContact OE1-CZ 3.29Å; E190-Y332 PolarHBondContact OE1-OH 2.9Å; E190-T334 PolarHBondContact OE1-OG1 3.5Å; E190-V346 HydrophobicContact CB-CG1 4.43Å; E190-V346 HydrophobicContact CG-CG1 3.8Å
191A98.8Very high98.5Very high0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-60.8-34.1178.800000112.2A135 L137 Y168 G187 K193 D194 Y195 W197 F200A135-A191 HydrophobicContact CB-CB 4.03Å; L137-A191 HydrophobicContact CD2-CB 4.14Å; Y168-A191 HydrophobicContact CD1-CB 4.44Å; Y168-A191 HydrophobicContact CD2-CB 4.01Å; Y168-A191 HydrophobicContact CE1-CB 4.15Å; Y168-A191 HydrophobicContact CE2-CB 3.67Å; Y168-A191 HydrophobicContact CG-CB 4.39Å; G187-A191 WeakPolarHBondContact O-CB 3.25Å; G187-A191 PolarHBondContact O-N 3.26Å; A191-K193 PolarHBondContact O-N 3.26Å; A191-D194 WeakPolarHBondContact O-CB 3.38Å; A191-D194 PolarHBondContact O-N 3.2Å; A191-D194 VanDerWaalsContact O-N 3.15Å; A191-Y195 PolarHBondContact O-N 3.38Å; A191-W197 PolarHBondContact O-NE1 3.3Å; A191-W197 VanDerWaalsContact O-NE1 3.13Å; A191-F200 HydrophobicContact CB-CE1 4.07Å
192L98.4Very high98.5Very high52 Ų5229.9 Ų29.927%0.27214%0.144SC..Hα-helixtrans-68-17.9174.5-76.7176.9000114.5Y188 E190 D194 F200 K250Y188-L192 HydrophobicContact CD1-CD1 3.94Å; Y188-L192 HydrophobicContact CE1-CD1 3.39Å; Y188-L192 HydrophobicContact CE2-CD1 4.25Å; Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 3.35Å; E190-L192 PolarHBondContact O-N 3.35Å; L192-D194 VanDerWaalsContact C-N 3.34Å; L192-F200 HydrophobicContact CD2-CE2 4.44Å; L192-F200 HydrophobicContact CD2-CZ 3.7Å; L192-F200 HydrophobicContact CG-CE1 4.45Å; L192-F200 HydrophobicContact CG-CZ 3.88Å; L192-K250 HydrophobicContact CD2-CD 4.02Å; L192-K250 HydrophobicContact CD2-CG 4.37Å
193K98.3Very high98.6Very high133 Ų13328.9 Ų28.958%0.57814%0.139SC*.Hα-helixtrans-77.1-27.1172.1-59.9172.7-175.3176.70111.7E190 A191E190-K193 WeakPolarHBondContact O-CB 3.42Å; E190-K193 PolarHBondContact O-N 2.96Å; E190-K193 WeakPolarHBondContact OE1-CE 3.04Å; E190-K193 IonicContact OE1-NZ 3.79Å; E190-K193 PolarHBondContact OE1-NZ 3.15Å; E190-K193 IonicContact OE2-NZ 2.8Å; E190-K193 PolarHBondContact OE2-NZ 2.9Å; A191-K193 PolarHBondContact O-N 3.26Å
194D95.9Very high98.5Very high60 Ų6030.2 Ų30.232%0.32115%0.146SC..Hα-helixtrans-85.2-44.3-176.3-82.87.3000112.5Y168 A191 L192 R339Y168-D194 VanDerWaalsContact CE1-OD2 3.28Å; Y168-D194 WeakPolarHBondContact CE1-OD2 3.41Å; Y168-D194 WeakPolarHBondContact OH-CB 3.48Å; Y168-D194 PolarHBondContact OH-OD2 2.91Å; A191-D194 WeakPolarHBondContact O-CB 3.38Å; A191-D194 PolarHBondContact O-N 3.2Å; A191-D194 VanDerWaalsContact O-N 3.15Å; L192-D194 VanDerWaalsContact C-N 3.34Å; D194-R339 IonicContact OD1-CZ 3.05Å; D194-R339 IonicContact OD1-NH2 3.32Å; D194-R339 PolarHBondContact OD1-NH2 2.84Å; D194-R339 IonicContact OD2-CZ 3.24Å; D194-R339 IonicContact OD2-NH1 3.28Å; D194-R339 PolarHBondContact OD2-NH1 2.94Å; D194-R339 IonicContact OD2-NH2 2.61Å; D194-R339 PolarHBondContact OD2-NH2 2.83Å
195Y98.2Very high98.5Very high109 Ų10930.9 Ų30.943%0.42715%0.15SC..  trans-157.3157.2-174.1-165.3-94.1000111.8H164 A191 W197H164-Y195 AromaticContact CE1-CE1 3.79Å; H164-Y195 AromaticContact CE1-CZ 3.69Å; A191-Y195 PolarHBondContact O-N 3.38Å; Y195-W197 VanDerWaalsContact C-N 3.28Å; Y195-W197 HydrophobicContact CD1-CD2 4.02Å; Y195-W197 HydrophobicContact CD1-CE3 4.13Å; Y195-W197 HydrophobicContact CD1-CG 4.37Å; Y195-W197 HydrophobicContact CD1-CZ3 4.43Å; Y195-W197 HydrophobicContact CG-CZ2 4.38Å; Y195-W197 VanDerWaalsContact O-CD1 3.24Å; Y195-W197 PolarHBondContact O-N 2.98Å
196D97.4Very high98.4Very high107 Ų10731.4 Ų31.457%0.57215%0.153SC*.  trans-81.872.8173.8-16424.2000111K250D196-K250 IonicContact OD1-NZ 3.52Å; D196-K250 PolarHBondContact OD1-NZ 2.88Å
197W98.5Very high98.4Very high1 Ų131.4 Ų31.40%0.00415%0.153CC..  trans-66.8132.1-177.6-61.5103.4000112.5S133 V134 A135 H164 S166 Y168 A191 Y195 F200S133-W197 VanDerWaalsContact C-CE3 3.49Å; V134-W197 VanDerWaalsContact C-CE3 3.4Å; V134-W197 VanDerWaalsContact N-CE3 3.33Å; A135-W197 HydrophobicContact CB-CB 4.23Å; A135-W197 HydrophobicContact CB-CD2 3.82Å; A135-W197 HydrophobicContact CB-CE3 4.39Å; A135-W197 HydrophobicContact CB-CG 3.72Å; H164-W197 AromaticContact CE1-CH2 3.84Å; H164-W197 AromaticContact CE1-CZ3 3.77Å; H164-W197 AromaticContact ND1-CZ3 3.93Å; S166-W197 VanDerWaalsContact CB-CH2 3.47Å; S166-W197 VanDerWaalsContact CB-CZ2 3.42Å; S166-W197 WeakPolarHBondContact OG-CH2 3.38Å; S166-W197 WeakPolarHBondContact OG-CZ2 3.29Å; Y168-W197 HydrophobicContact CE2-CZ2 4.19Å; Y168-W197 AromaticContact CE2-NE1 3.96Å; Y168-W197 PolarHBondContact OH-NE1 3.44Å; A191-W197 PolarHBondContact O-NE1 3.3Å; A191-W197 VanDerWaalsContact O-NE1 3.13Å; Y195-W197 VanDerWaalsContact C-N 3.28Å; Y195-W197 HydrophobicContact CD1-CD2 4.02Å; Y195-W197 HydrophobicContact CD1-CE3 4.13Å; Y195-W197 HydrophobicContact CD1-CG 4.37Å; Y195-W197 HydrophobicContact CD1-CZ3 4.43Å; Y195-W197 HydrophobicContact CG-CZ2 4.38Å; Y195-W197 VanDerWaalsContact O-CD1 3.24Å; Y195-W197 PolarHBondContact O-N 2.98Å; W197-F200 HydrophobicContact CB-CE1 4.21Å; W197-F200 HydrophobicContact CB-CE2 4.16Å; W197-F200 HydrophobicContact CB-CZ 3.77Å
198D98.4Very high98.4Very high78 Ų7831.5 Ų31.542%0.41715%0.154SC..SBendtrans-72.3-37.8176-56.3-59.3000111.6S133 T249 K250S133-D198 PolarHBondContact N-OD2 3.32Å; S133-D198 PolarHBondContact O-N 3.08Å; S133-D198 VanDerWaalsContact O-N 3.13Å; D198-T249 WeakPolarHBondContact O-CA 3.18Å; D198-K250 PolarHBondContact O-N 3.29Å
199C98.8Very high98.4Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-134.7140.7-167.1-179.40000112.2S133 V134 A135 C218S133-C199 PolarHBondContact O-N 3.48Å; S133-C199 VanDerWaalsContact O-N 3.16Å; V134-C199 WeakPolarHBondContact CA-O 3.25Å; V134-C199 HydrophobicContact CB-CB 4.43Å; V134-C199 HydrophobicContact CG1-CB 4.14Å; V134-C199 HydrophobicContact CG2-CB 4.09Å; A135-C199 PolarHBondContact N-O 3.02Å; C199-C218 WeakPolarHBondContact CA-SG 3.41Å; C199-C218 HydrophobicContact CB-CB 3.59Å; C199-C218 WeakPolarHBondContact CB-SG 3.26Å; C199-C218 VanDerWaalsContact SG-CA 3.56Å; C199-C218 WeakPolarHBondContact SG-CB 3.43Å; C199-C218 PolarHBondContact SG-N 3.18Å; C199-C218 CovalentContact SG-SG 2.03Å; C199-C218 PolarHBondContact SG-SG 2.87Å
200F98.9Very high98.4Very high0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-120.1124.1174.8-63.4-93.2000109.6A135 L137 Y188 A191 L192 W197 F202 A247 M248 K250A135-F200 HydrophobicContact CB-CD1 3.79Å; A135-F200 HydrophobicContact CB-CE1 3.96Å; A135-F200 WeakPolarHBondContact O-CA 3.4Å; L137-F200 HydrophobicContact CD1-CD1 3.98Å; L137-F200 HydrophobicContact CG-CD1 4.49Å; Y188-F200 HydrophobicContact CD2-CB 4.43Å; Y188-F200 AromaticContact CD2-CD1 3.5Å; Y188-F200 HydrophobicContact CD2-CD1 3.5Å; Y188-F200 AromaticContact CD2-CD2 3.71Å; Y188-F200 HydrophobicContact CD2-CD2 3.71Å; Y188-F200 AromaticContact CD2-CE1 3.51Å; Y188-F200 HydrophobicContact CD2-CE1 3.51Å; Y188-F200 AromaticContact CD2-CE2 3.76Å; Y188-F200 HydrophobicContact CD2-CE2 3.76Å; Y188-F200 AromaticContact CD2-CG 3.59Å; Y188-F200 HydrophobicContact CD2-CG 3.59Å; Y188-F200 AromaticContact CD2-CZ 3.64Å; Y188-F200 HydrophobicContact CD2-CZ 3.64Å; Y188-F200 HydrophobicContact CE2-CD1 4.18Å; Y188-F200 AromaticContact CE2-CD2 3.56Å; Y188-F200 HydrophobicContact CE2-CD2 3.56Å; Y188-F200 AromaticContact CE2-CE1 3.98Å; Y188-F200 HydrophobicContact CE2-CE1 3.98Å; Y188-F200 AromaticContact CE2-CE2 3.38Å; Y188-F200 HydrophobicContact CE2-CE2 3.38Å; Y188-F200 AromaticContact CE2-CG 3.96Å; Y188-F200 HydrophobicContact CE2-CG 3.96Å; Y188-F200 AromaticContact CE2-CZ 3.59Å; Y188-F200 HydrophobicContact CE2-CZ 3.59Å; Y188-F200 HydrophobicContact CG-CD1 4.39Å; Y188-F200 HydrophobicContact CG-CE1 4.26Å; A191-F200 HydrophobicContact CB-CE1 4.07Å; L192-F200 HydrophobicContact CD2-CE2 4.44Å; L192-F200 HydrophobicContact CD2-CZ 3.7Å; L192-F200 HydrophobicContact CG-CE1 4.45Å; L192-F200 HydrophobicContact CG-CZ 3.88Å; W197-F200 HydrophobicContact CB-CE1 4.21Å; W197-F200 HydrophobicContact CB-CE2 4.16Å; W197-F200 HydrophobicContact CB-CZ 3.77Å; F200-F202 HydrophobicContact CB-CE1 4.35Å; F200-F202 HydrophobicContact CB-CE2 4.19Å; F200-F202 HydrophobicContact CB-CZ 3.83Å; F200-A247 VanDerWaalsContact O-CA 3.3Å; F200-A247 WeakPolarHBondContact O-CA 3.17Å; F200-M248 PolarHBondContact N-O 2.92Å; F200-M248 PolarHBondContact O-N 3.5Å; F200-K250 HydrophobicContact CD2-CB 4.5Å; F200-K250 HydrophobicContact CE2-CB 3.86Å; F200-K250 HydrophobicContact CE2-CG 4.12Å
201V98.9Very high98.4Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-107.1113.7173.2-1790000108.4V134 A135 I136 L137 H203 Y216 L225 V245 T246 A247V134-V201 HydrophobicContact CG1-CG2 3.6Å; A135-V201 PolarHBondContact O-N 3.1Å; I136-V201 HydrophobicContact CD1-CB 3.6Å; I136-V201 HydrophobicContact CD1-CG1 4.22Å; I136-V201 HydrophobicContact CD1-CG2 3.73Å; L137-V201 PolarHBondContact N-O 3.08Å; V201-H203 HydrophobicContact CG1-CB 4.44Å; V201-Y216 HydrophobicContact CG1-CD1 3.89Å; V201-Y216 HydrophobicContact CG1-CE1 4.09Å; V201-Y216 HydrophobicContact CG2-CD1 4.42Å; V201-L225 HydrophobicContact CG1-CD1 4.07Å; V201-V245 HydrophobicContact CG1-CG1 3.61Å; V201-T246 CarbonylContact C-O 3.5Å; V201-T246 VanDerWaalsContact CA-O 3.31Å; V201-T246 WeakPolarHBondContact CA-O 3.42Å; V201-A247 HydrophobicContact CG2-CB 3.97Å
202F98.9Very high98.4Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-89.6118.6175.7-48.2-81.4000108.4L137 L184 F200 V245 T246 M248 F253 F259L137-F202 HydrophobicContact CB-CD1 4.47Å; L137-F202 HydrophobicContact CD1-CD1 3.87Å; L137-F202 HydrophobicContact CD1-CE1 3.69Å; L184-F202 HydrophobicContact CB-CD1 3.94Å; L184-F202 HydrophobicContact CD1-CB 4.02Å; L184-F202 HydrophobicContact CD1-CD1 4.44Å; L184-F202 HydrophobicContact CD2-CB 3.98Å; L184-F202 HydrophobicContact CD2-CD1 4.02Å; L184-F202 HydrophobicContact CG-CD1 4.33Å; F200-F202 HydrophobicContact CB-CE1 4.35Å; F200-F202 HydrophobicContact CB-CE2 4.19Å; F200-F202 HydrophobicContact CB-CZ 3.83Å; F202-V245 VanDerWaalsContact O-CA 3.27Å; F202-V245 WeakPolarHBondContact O-CA 3.44Å; F202-T246 PolarHBondContact N-O 3.09Å; F202-T246 PolarHBondContact O-N 3.3Å; F202-M248 HydrophobicContact CE2-CB 4.13Å; F202-M248 HydrophobicContact CE2-CG 4.21Å; F202-M248 HydrophobicContact CE2-SD 4.35Å; F202-F253 HydrophobicContact CE1-CD2 4.12Å; F202-F253 HydrophobicContact CE1-CE1 4.06Å; F202-F253 AromaticContact CE1-CE2 3.66Å; F202-F253 HydrophobicContact CE1-CE2 3.66Å; F202-F253 AromaticContact CE1-CZ 3.6Å; F202-F253 HydrophobicContact CE1-CZ 3.6Å; F202-F253 AromaticContact CE2-CD2 3.68Å; F202-F253 HydrophobicContact CE2-CD2 3.68Å; F202-F253 AromaticContact CE2-CE2 3.85Å; F202-F253 HydrophobicContact CE2-CE2 3.85Å; F202-F253 HydrophobicContact CE2-CG 4.32Å; F202-F253 HydrophobicContact CZ-CB 4.38Å; F202-F253 AromaticContact CZ-CD1 3.98Å; F202-F253 HydrophobicContact CZ-CD1 3.98Å; F202-F253 AromaticContact CZ-CD2 3.24Å; F202-F253 HydrophobicContact CZ-CD2 3.24Å; F202-F253 AromaticContact CZ-CE1 3.95Å; F202-F253 HydrophobicContact CZ-CE1 3.95Å; F202-F253 AromaticContact CZ-CE2 3.24Å; F202-F253 HydrophobicContact CZ-CE2 3.24Å; F202-F253 AromaticContact CZ-CG 3.62Å; F202-F253 HydrophobicContact CZ-CG 3.62Å; F202-F253 AromaticContact CZ-CZ 3.59Å; F202-F253 HydrophobicContact CZ-CZ 3.59Å; F202-F259 HydrophobicContact CB-CE2 4.38Å; F202-F259 HydrophobicContact CB-CZ 4.35Å; F202-F259 AromaticContact CD1-CE2 3.68Å; F202-F259 HydrophobicContact CD1-CE2 3.68Å; F202-F259 HydrophobicContact CD1-CZ 4.44Å; F202-F259 HydrophobicContact CD2-CE2 4.26Å; F202-F259 HydrophobicContact CD2-CZ 4.45Å; F202-F259 AromaticContact CE1-CE2 3.97Å; F202-F259 HydrophobicContact CE1-CE2 3.97Å; F202-F259 AromaticContact CG-CE2 3.83Å; F202-F259 HydrophobicContact CG-CE2 3.83Å; F202-F259 HydrophobicContact CG-CZ 4.15Å; F202-F259 HydrophobicContact CZ-CE2 4.41Å
203H98.9Very high98.4Very high0 Ų032.6 Ų32.60%015%0.154CC..EExtended strand (participates in β ladder)trans-133.6125.1-161.7-171.6-67.9000112.2I136 L137 I138 P139 L150 V201 L207 Y216 V245I136-H203 HydrophobicContact CG2-CB 4.1Å; L137-H203 PolarHBondContact O-N 3.04Å; I138-H203 HydrophobicContact CG1-CB 4.21Å; P139-H203 WeakPolarHBondContact CD-O 3.42Å; L150-H203 VanDerWaalsContact CD1-CE1 3.42Å; L150-H203 WeakPolarHBondContact CD1-CE1 3.1Å; V201-H203 HydrophobicContact CG1-CB 4.44Å; H203-L207 PolarHBondContact CE1-O 3.07Å; H203-L207 PolarHBondContact NE2-O 3.41Å; H203-L207 VanDerWaalsContact NE2-O 3.07Å; H203-Y216 AromaticContact CD2-CE1 3.63Å; H203-Y216 AromaticContact CD2-CZ 3.95Å; H203-Y216 PolarHBondContact CD2-OH 3.39Å; H203-Y216 PolarHBondContact NE2-OH 2.84Å; H203-V245 HydrophobicContact CB-CG1 4.17Å; H203-V245 VanDerWaalsContact CD2-CG1 3.42Å; H203-V245 WeakPolarHBondContact CD2-CG1 3.44Å; H203-V245 WeakPolarHBondContact CD2-CG2 3.5Å
204D98.4Very high98.4Very high27 Ų2726.2 Ų26.214%0.14413%0.126CC..  trans-75128.5172.7-72.5-4.4000111.5R180 D206 L207 G244R180-D204 IonicContact CZ-OD1 3.39Å; R180-D204 IonicContact NE-OD1 3.93Å; R180-D204 PolarHBondContact NE-OD1 3.49Å; R180-D204 IonicContact NE-OD2 2.94Å; R180-D204 IonicContact NH2-OD1 3.06Å; R180-D204 PolarHBondContact NH2-OD1 2.73Å; D204-D206 WeakPolarHBondContact CB-OD1 3.3Å; D204-D206 PolarHBondContact O-N 3.01Å; D204-L207 HydrophobicContact CB-CD1 3.99Å; D204-L207 HydrophobicContact CB-CG 4.07Å; D204-L207 PolarHBondContact O-N 3.35Å; D204-G244 PolarHBondContact N-O 3.03Å; D204-G244 VanDerWaalsContact OD2-CA 3.29Å; D204-G244 WeakPolarHBondContact OD2-CA 3.48Å
205V98.5Very high98.5Very high14 Ų1426.1 Ų26.19%0.08513%0.125CC..THydrogen-bonded Turntrans-56.7-21.7-174.771.90000114.8I138 R143 H146 L147 L150I138-V205 HydrophobicContact CG2-CB 3.74Å; I138-V205 HydrophobicContact CG2-CG2 4.02Å; R143-V205 HydrophobicContact CB-CG1 4.08Å; R143-V205 HydrophobicContact CG-CG1 4.23Å; H146-V205 HydrophobicContact CB-CG1 4.31Å; H146-V205 HydrophobicContact CB-CG2 4.16Å; L147-V205 HydrophobicContact CB-CG2 3.83Å; L147-V205 HydrophobicContact CD1-CG2 4.23Å; L150-V205 HydrophobicContact CD2-CG2 4.43Å
206D97.4Very high98.5Very high12 Ų1220.9 Ų20.96%0.06411%0.105CC..THydrogen-bonded Turntrans-982.3-176.469.9-23.2000114.2D204 M296 V297 H299D204-D206 WeakPolarHBondContact CB-OD1 3.3Å; D204-D206 PolarHBondContact O-N 3.01Å; D206-M296 CarbonylContact O-C 3.36Å; D206-M296 VanDerWaalsContact O-CA 3.31Å; D206-M296 WeakPolarHBondContact O-CA 3.35Å; D206-M296 WeakPolarHBondContact OD2-CE 3.28Å; D206-V297 PolarHBondContact O-N 3.38Å; D206-H299 IonicContact OD2-CD2 2.8Å; D206-H299 IonicContact OD2-NE2 3.83Å; D206-H299 PolarHBondContact OD2-NE2 2.96Å
207L98.5Very high98.5Very high0 Ų016.9 Ų16.90%08%0.082CC..EExtended strand (participates in β ladder)trans-108103.5-177.1-67.2-176.2000112.6H203 D204 V226 V245 Y294 M296H203-L207 PolarHBondContact CE1-O 3.07Å; H203-L207 PolarHBondContact NE2-O 3.41Å; H203-L207 VanDerWaalsContact NE2-O 3.07Å; D204-L207 HydrophobicContact CB-CD1 3.99Å; D204-L207 HydrophobicContact CB-CG 4.07Å; D204-L207 PolarHBondContact O-N 3.35Å; L207-V226 HydrophobicContact CD1-CG1 4.47Å; L207-V226 HydrophobicContact CD1-CG2 4.04Å; L207-V245 HydrophobicContact CB-CG2 4.2Å; L207-V245 HydrophobicContact CD1-CG2 4.21Å; L207-Y294 HydrophobicContact CB-CD1 3.78Å; L207-Y294 HydrophobicContact CB-CE1 4.4Å; L207-M296 HydrophobicContact CD2-CB 3.9Å; L207-M296 HydrophobicContact CD2-CG 4.06Å
208V98.7Very high98.5Very high1 Ų117.2 Ų17.21%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-97.6124.7178.3-174.50000110.9L100 F102 L150 H153 Y294 T295 V297L100-V208 HydrophobicContact CD1-CB 4.06Å; L100-V208 HydrophobicContact CD1-CG1 3.69Å; L100-V208 HydrophobicContact CD2-CG1 3.82Å; L100-V208 HydrophobicContact CG-CG1 4.36Å; F102-V208 HydrophobicContact CE1-CG2 3.99Å; F102-V208 HydrophobicContact CZ-CB 4.4Å; F102-V208 HydrophobicContact CZ-CG2 4.35Å; L150-V208 HydrophobicContact CD1-CG2 4.2Å; H153-V208 HydrophobicContact CB-CG1 3.42Å; H153-V208 VanDerWaalsContact CB-CG1 3.42Å; V208-Y294 VanDerWaalsContact C-CD1 3.48Å; V208-Y294 CarbonylContact O-C 3.57Å; V208-Y294 VanDerWaalsContact O-CA 3.29Å; V208-Y294 WeakPolarHBondContact O-CA 3.38Å; V208-T295 PolarHBondContact N-O 3.5Å; V208-T295 PolarHBondContact O-N 2.92Å; V208-V297 HydrophobicContact CG2-CG2 4.3Å
209P98.5Very high98.4Very high1 Ų117 Ų171%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-71.3140.4-179.130-35.4000112L154 F157 Y216 Y294L154-P209 HydrophobicContact CD1-CG 4.37Å; F157-P209 HydrophobicContact CD1-CG 4.28Å; F157-P209 HydrophobicContact CD2-CB 4.24Å; F157-P209 HydrophobicContact CD2-CG 3.68Å; F157-P209 HydrophobicContact CE1-CG 4.09Å; F157-P209 HydrophobicContact CE2-CB 3.54Å; F157-P209 HydrophobicContact CE2-CG 3.45Å; F157-P209 VanDerWaalsContact CE2-CG 3.45Å; F157-P209 HydrophobicContact CG-CG 4.11Å; F157-P209 HydrophobicContact CZ-CB 3.74Å; F157-P209 HydrophobicContact CZ-CG 3.69Å; P209-Y216 HydrophobicContact CB-CE2 4.31Å; P209-Y216 HydrophobicContact CG-CE2 4.31Å; P209-Y294 HydrophobicContact CB-CD1 4.2Å; P209-Y294 HydrophobicContact CB-CE1 3.68Å; P209-Y294 HydrophobicContact CB-CE2 4.39Å; P209-Y294 HydrophobicContact CG-CE1 4.33Å
210E98.6Very high98.3Very high27 Ų2725 Ų2513%0.12612%0.121CC..SBendtrans-97.5-6.7-176-68.3174.8-166.500114A97 L98 L100 Y234 R293 T295A97-E210 CarbonylContact C-O 3.53Å; A97-E210 WeakPolarHBondContact CA-O 3.4Å; L98-E210 PolarHBondContact N-O 2.86Å; L100-E210 HydrophobicContact CD1-CG 3.75Å; E210-Y234 VanDerWaalsContact OE1-CE1 3.29Å; E210-Y234 WeakPolarHBondContact OE1-CE1 3.38Å; E210-Y234 PolarHBondContact OE1-OH 2.93Å; E210-Y234 WeakPolarHBondContact OE2-CE1 3.19Å; E210-R293 HydrophobicContact CB-CB 4.2Å; E210-R293 PolarHBondContact N-O 3.39Å; E210-R293 WeakPolarHBondContact OE2-CB 3.45Å; E210-T295 PolarHBondContact OE1-N 3.41Å; E210-T295 PolarHBondContact OE1-OG1 2.79Å
211N98.6Very high98.3Very high19 Ų1927.6 Ų27.610%0.10213%0.133CC..BIsolated β-bridgetrans-148.1119.6-175-168-43.9000111.3G96 F157 Y213 N214 I291G96-N211 VanDerWaalsContact C-CG 3.46Å; G96-N211 VanDerWaalsContact C-OD1 3.24Å; G96-N211 VanDerWaalsContact CA-OD1 3.32Å; G96-N211 WeakPolarHBondContact CA-OD1 3.22Å; G96-N211 CarbonylContact O-C 3.59Å; G96-N211 VanDerWaalsContact O-CA 3.22Å; G96-N211 WeakPolarHBondContact O-CA 3.41Å; G96-N211 PolarHBondContact O-OD1 2.78Å; F157-N211 WeakPolarHBondContact CE2-O 3.36Å; N211-Y213 PolarHBondContact O-N 2.91Å; N211-Y213 VanDerWaalsContact OD1-CB 3.28Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.46Å; N211-Y213 WeakPolarHBondContact OD1-CD2 3.33Å; N211-Y213 PolarHBondContact OD1-N 2.69Å; N211-N214 WeakPolarHBondContact O-CB 3.47Å; N211-N214 PolarHBondContact O-N 3.02Å; N211-I291 WeakPolarHBondContact CB-O 3.41Å
212D98.6Very high98.3Very high0 Ų027.6 Ų27.60%013%0.133CC..THydrogen-bonded Turntrans-77.6-2.4-175.966.415.3000114.7L94 Q95 G96 L98 F157 R160 Q161 N214L94-D212 HydrophobicContact CD2-CB 4.3Å; Q95-D212 VanDerWaalsContact N-CG 3.34Å; Q95-D212 PolarHBondContact N-OD1 3.16Å; Q95-D212 PolarHBondContact N-OD2 3.12Å; G96-D212 WeakPolarHBondContact CA-OD1 3.25Å; G96-D212 PolarHBondContact N-OD1 2.81Å; G96-D212 PolarHBondContact O-N 3.25Å; L98-D212 HydrophobicContact CD1-CB 4.28Å; F157-D212 HydrophobicContact CD2-CB 3.78Å; F157-D212 HydrophobicContact CE2-CB 3.78Å; F157-D212 HydrophobicContact CG-CB 4.42Å; F157-D212 HydrophobicContact CZ-CB 4.41Å; R160-D212 IonicContact CZ-OD2 3.74Å; R160-D212 IonicContact NE-OD2 3.89Å; R160-D212 PolarHBondContact NE-OD2 3.49Å; R160-D212 IonicContact NH2-OD2 3.16Å; R160-D212 PolarHBondContact NH2-OD2 2.8Å; Q161-D212 PolarHBondContact NE2-O 3.5Å; D212-N214 PolarHBondContact O-N 3.33Å
213Y98.4Very high98.3Very high95 Ų9528.7 Ų28.737%0.37314%0.138SC..THydrogen-bonded Turntrans-69.1-10.3159.4-62.9-46.8000112.9L94 N211 L215L94-Y213 HydrophobicContact CB-CD1 3.95Å; L94-Y213 HydrophobicContact CB-CE1 3.64Å; L94-Y213 HydrophobicContact CD1-CD1 3.73Å; L94-Y213 HydrophobicContact CD1-CE1 4.04Å; L94-Y213 HydrophobicContact CG-CD1 4.46Å; L94-Y213 HydrophobicContact CG-CE1 4.49Å; N211-Y213 PolarHBondContact O-N 2.91Å; N211-Y213 VanDerWaalsContact OD1-CB 3.28Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.46Å; N211-Y213 WeakPolarHBondContact OD1-CD2 3.33Å; N211-Y213 PolarHBondContact OD1-N 2.69Å; Y213-L215 PolarHBondContact O-N 2.95Å; Y213-L215 VanDerWaalsContact O-N 3.12Å
214N98.5Very high98.3Very high0 Ų028.7 Ų28.70%014%0.138CC..SBendtrans-79.187.5170.3-165.87.5000109.8F157 Q161 N211 D212 Y216 L225 P287 I291 Y294F157-N214 HydrophobicContact CZ-CB 4.42Å; F157-N214 VanDerWaalsContact CZ-O 3.28Å; F157-N214 WeakPolarHBondContact CZ-O 3.28Å; Q161-N214 PolarHBondContact NE2-O 3.2Å; N211-N214 WeakPolarHBondContact O-CB 3.47Å; N211-N214 PolarHBondContact O-N 3.02Å; D212-N214 PolarHBondContact O-N 3.33Å; N214-Y216 WeakPolarHBondContact O-CD2 3.17Å; N214-Y216 PolarHBondContact O-N 3.05Å; N214-L225 PolarHBondContact ND2-O 2.88Å; N214-L225 VanDerWaalsContact OD1-CD2 3.25Å; N214-L225 WeakPolarHBondContact OD1-CD2 3.37Å; N214-P287 WeakPolarHBondContact OD1-CG 3.35Å; N214-I291 HydrophobicContact CB-CG2 3.73Å; N214-I291 VanDerWaalsContact N-CG2 3.25Å; N214-Y294 VanDerWaalsContact ND2-CE2 3.34Å; N214-Y294 WeakPolarHBondContact ND2-CE2 3.47Å; N214-Y294 PolarHBondContact ND2-OH 3.29Å
215L98.3Very high98.3Very high57 Ų5727.4 Ų27.430%0.29813%0.131SC..  trans-71122.6-171.1-55.6-178.9000112.3L94 Q161 Y213 K217 L225L94-L215 HydrophobicContact CD1-CD2 4.03Å; Q161-L215 HydrophobicContact CG-CD2 4.16Å; Y213-L215 PolarHBondContact O-N 2.95Å; Y213-L215 VanDerWaalsContact O-N 3.12Å; L215-K217 HydrophobicContact CB-CB 4.44Å; L215-K217 PolarHBondContact O-N 3.42Å; L215-L225 WeakPolarHBondContact O-CD2 3.19Å
216Y98.5Very high98.2Very high0 Ų026.9 Ų26.90%013%0.127CC..  trans-80.956.1174.2-83.8-136.4000110.1I136 L154 F157 L158 V201 H203 P209 N214 L225 V245 Y294I136-Y216 HydrophobicContact CD1-CD1 4Å; L154-Y216 HydrophobicContact CD1-CD1 4.3Å; L154-Y216 HydrophobicContact CD1-CE1 3.69Å; F157-Y216 AromaticContact CE1-CD2 3.44Å; F157-Y216 HydrophobicContact CE1-CD2 3.44Å; F157-Y216 VanDerWaalsContact CE1-CD2 3.44Å; F157-Y216 AromaticContact CE1-CE2 3.54Å; F157-Y216 HydrophobicContact CE1-CE2 3.54Å; F157-Y216 HydrophobicContact CE1-CG 4.05Å; F157-Y216 AromaticContact CZ-CD2 3.94Å; F157-Y216 HydrophobicContact CZ-CD2 3.94Å; F157-Y216 AromaticContact CZ-CE2 3.76Å; F157-Y216 HydrophobicContact CZ-CE2 3.76Å; L158-Y216 HydrophobicContact CD2-CD1 3.69Å; L158-Y216 HydrophobicContact CD2-CG 3.77Å; V201-Y216 HydrophobicContact CG1-CD1 3.89Å; V201-Y216 HydrophobicContact CG1-CE1 4.09Å; V201-Y216 HydrophobicContact CG2-CD1 4.42Å; H203-Y216 AromaticContact CD2-CE1 3.63Å; H203-Y216 AromaticContact CD2-CZ 3.95Å; H203-Y216 PolarHBondContact CD2-OH 3.39Å; H203-Y216 PolarHBondContact NE2-OH 2.84Å; P209-Y216 HydrophobicContact CB-CE2 4.31Å; P209-Y216 HydrophobicContact CG-CE2 4.31Å; N214-Y216 WeakPolarHBondContact O-CD2 3.17Å; N214-Y216 PolarHBondContact O-N 3.05Å; Y216-L225 HydrophobicContact CD2-CD1 4.02Å; Y216-L225 HydrophobicContact CE2-CD1 4.19Å; Y216-L225 HydrophobicContact CG-CD1 4.26Å; Y216-V245 HydrophobicContact CE1-CG1 4.34Å; Y216-Y294 VanDerWaalsContact CE2-OH 3.25Å; Y216-Y294 WeakPolarHBondContact CE2-OH 3.42Å; Y216-Y294 WeakPolarHBondContact OH-CE1 3.42Å; Y216-Y294 PolarHBondContact OH-OH 2.82Å
217K97.1Very high98Very high22 Ų2226.9 Ų26.910%0.09613%0.128CC..  trans-128145.3-178.8-74.3-173.8-178.5178.70109.6L163 L215 K223L163-K217 HydrophobicContact CD2-CD 3.91Å; L163-K217 HydrophobicContact CD2-CG 3.47Å; L163-K217 VanDerWaalsContact CD2-CG 3.47Å; L215-K217 HydrophobicContact CB-CB 4.44Å; L215-K217 PolarHBondContact O-N 3.42Å; K217-K223 PolarHBondContact O-NZ 3.39Å
218C98.4Very high97.8Very high8 Ų827 Ų275%0.05413%0.129CC..  trans-81.2156.7175.6-700000110.6Q132 C199 M248 T249Q132-C218 PolarHBondContact NE2-O 3.34Å; Q132-C218 VanDerWaalsContact NE2-O 3.13Å; Q132-C218 VanDerWaalsContact OE1-N 3.12Å; Q132-C218 PolarHBondContact OE1-O 2.94Å; C199-C218 WeakPolarHBondContact CA-SG 3.41Å; C199-C218 HydrophobicContact CB-CB 3.59Å; C199-C218 WeakPolarHBondContact CB-SG 3.26Å; C199-C218 VanDerWaalsContact SG-CA 3.56Å; C199-C218 WeakPolarHBondContact SG-CB 3.43Å; C199-C218 PolarHBondContact SG-N 3.18Å; C199-C218 CovalentContact SG-SG 2.03Å; C199-C218 PolarHBondContact SG-SG 2.87Å; C218-M248 PolarHBondContact SG-N 3.47Å; C218-M248 PolarHBondContact SG-O 3.46Å; C218-T249 HydrophobicContact CB-CG2 3.67Å; C218-T249 PolarHBondContact SG-N 3.21Å
219D96.8Very high97.6Very high75 Ų7527.8 Ų27.840%0.40113%0.132SC..  trans-130.1-179.3-178.7-146.1-46.4000109.4Q221 K223 Q252 I285D219-Q221 PolarHBondContact O-N 2.89Å; D219-Q221 VanDerWaalsContact O-N 3.13Å; D219-K223 IonicContact OD2-NZ 3.67Å; D219-Q252 PolarHBondContact O-NE2 3.26Å; D219-I285 HydrophobicContact CB-CD1 3.65Å
220Q97.6Very high97.4Very high168 Ų16829.7 Ų29.779%0.78514%0.142SC*.SBendtrans-59.9-22.4174.8-63.9-60-24.100113.1Q252Q220-Q252 PolarHBondContact O-NE2 3.41Å
221Q98.6Very high97Very high54 Ų5430.9 Ų30.925%0.25216%0.156SC..SBendtrans-123.6147.5178.5-71.1-67.212.500111.4D219 K223 E283 I285D219-Q221 PolarHBondContact O-N 2.89Å; D219-Q221 VanDerWaalsContact O-N 3.13Å; Q221-K223 PolarHBondContact O-N 3.46Å; Q221-E283 WeakPolarHBondContact CB-O 3.19Å; Q221-I285 HydrophobicContact CB-CD1 4.37Å; Q221-I285 HydrophobicContact CB-CG1 4.25Å; Q221-I285 HydrophobicContact CB-CG2 3.8Å; Q221-I285 HydrophobicContact CG-CG2 4.37Å
222P98.6Very high96.6Very high0 Ų031.8 Ų31.80%016%0.163CC..  trans-53.4130.3174.6-30.239.2000112.2F242 M248 Q252 V277 M282 I284 I285P222-F242 HydrophobicContact CB-CZ 4.19Å; P222-M248 HydrophobicContact CB-CE 4.29Å; P222-M248 HydrophobicContact CB-CG 4.05Å; P222-M248 HydrophobicContact CG-CE 3.95Å; P222-Q252 HydrophobicContact CG-CG 4.46Å; P222-V277 HydrophobicContact CB-CG1 4.29Å; P222-V277 HydrophobicContact CB-CG2 4.46Å; P222-V277 HydrophobicContact CG-CG1 3.94Å; P222-V277 HydrophobicContact CG-CG2 4.28Å; P222-M282 HydrophobicContact CG-CB 4.19Å; P222-M282 HydrophobicContact CG-CE 4.15Å; P222-M282 HydrophobicContact CG-SD 4Å; P222-I284 WeakPolarHBondContact O-CA 3.3Å; P222-I285 PolarHBondContact O-N 3.35Å
223K98.3Very high96.4Very high23 Ų2334.2 Ų34.210%0.119%0.188CC..EExtended strand (participates in β ladder)trans-106.6130-172.8-170.3175.6-68.4167.70110.7K217 D219 Q221 L225 T246 A247 I285K217-K223 PolarHBondContact O-NZ 3.39Å; D219-K223 IonicContact OD2-NZ 3.67Å; Q221-K223 PolarHBondContact O-N 3.46Å; K223-L225 HydrophobicContact CD-CD2 3.57Å; K223-L225 HydrophobicContact CD-CG 4.46Å; K223-L225 HydrophobicContact CG-CD2 3.86Å; K223-L225 HydrophobicContact CG-CG 4.33Å; K223-T246 CarbonylContact O-C 3.53Å; K223-T246 VanDerWaalsContact O-CA 3.27Å; K223-T246 WeakPolarHBondContact O-CA 3.48Å; K223-A247 HydrophobicContact CB-CB 4.28Å; K223-A247 PolarHBondContact N-O 2.89Å; K223-A247 PolarHBondContact O-N 3.19Å; K223-I285 WeakPolarHBondContact CA-O 3.41Å; K223-I285 HydrophobicContact CB-CD1 4.4Å; K223-I285 HydrophobicContact CB-CG1 4.04Å; K223-I285 HydrophobicContact CG-CD1 4.43Å; K223-I285 HydrophobicContact CG-CG1 4.16Å
224H98.6Very high96.2Very high0 Ų033.4 Ų33.40%019%0.185CC..EExtended strand (participates in β ladder)trans-100.5107.5170.1-179-126.2000109.2V226 Y241 F242 G243 I284 I285 R286 P287H224-V226 PolarHBondContact CE1-O 3.24Å; H224-V226 PolarHBondContact ND1-O 3.38Å; H224-V226 PolarHBondContact NE2-O 3.11Å; H224-Y241 AromaticContact CE1-CD1 3.65Å; H224-Y241 PolarHBondContact CE1-O 2.99Å; H224-Y241 VanDerWaalsContact CE1-O 3.31Å; H224-Y241 AromaticContact NE2-CD1 3.76Å; H224-Y241 AromaticContact NE2-CE1 3.9Å; H224-F242 HydrophobicContact CB-CD2 3.67Å; H224-F242 HydrophobicContact CB-CE2 3.74Å; H224-F242 AromaticContact CD2-CD2 3.83Å; H224-F242 AromaticContact CG-CD2 3.92Å; H224-G243 PolarHBondContact NE2-O 3.36Å; H224-G243 VanDerWaalsContact NE2-O 3.1Å; H224-I284 HydrophobicContact CB-CG2 3.67Å; H224-I285 PolarHBondContact N-O 3.43Å; H224-R286 HydrophobicContact CB-CG 3.83Å; H224-R286 PolarHBondContact ND1-NE 2.92Å; H224-R286 VanDerWaalsContact ND1-NE 3.12Å; H224-P287 VanDerWaalsContact O-CD 3.28Å; H224-P287 WeakPolarHBondContact O-CD 3.34Å
225L98.4Very high96.1Very high0 Ų040.9 Ų40.90%022%0.217CC..  trans-80.3-19.9-171.2-67169.3000112.1V201 N214 L215 Y216 K223 V245 A247 P287 A292 Y294V201-L225 HydrophobicContact CG1-CD1 4.07Å; N214-L225 PolarHBondContact ND2-O 2.88Å; N214-L225 VanDerWaalsContact OD1-CD2 3.25Å; N214-L225 WeakPolarHBondContact OD1-CD2 3.37Å; L215-L225 WeakPolarHBondContact O-CD2 3.19Å; Y216-L225 HydrophobicContact CD2-CD1 4.02Å; Y216-L225 HydrophobicContact CE2-CD1 4.19Å; Y216-L225 HydrophobicContact CG-CD1 4.26Å; K223-L225 HydrophobicContact CD-CD2 3.57Å; K223-L225 HydrophobicContact CD-CG 4.46Å; K223-L225 HydrophobicContact CG-CD2 3.86Å; K223-L225 HydrophobicContact CG-CG 4.33Å; L225-V245 HydrophobicContact CB-CB 4.15Å; L225-V245 HydrophobicContact CB-CG1 4.13Å; L225-V245 HydrophobicContact CD1-CG1 3.78Å; L225-V245 PolarHBondContact N-O 3.43Å; L225-A247 HydrophobicContact CD1-CB 4.12Å; L225-P287 HydrophobicContact CD2-CG 4.39Å; L225-A292 VanDerWaalsContact O-CB 3.25Å; L225-A292 WeakPolarHBondContact O-CB 3.43Å; L225-Y294 WeakPolarHBondContact O-CE2 3.15Å
226V97.3Very high96Very high2 Ų240.8 Ų40.81%0.01222%0.217CC..  trans-102.691.8-176.5-171.90000112.1L207 H224 V245 Y294L207-V226 HydrophobicContact CD1-CG1 4.47Å; L207-V226 HydrophobicContact CD1-CG2 4.04Å; H224-V226 PolarHBondContact CE1-O 3.24Å; H224-V226 PolarHBondContact ND1-O 3.38Å; H224-V226 PolarHBondContact NE2-O 3.11Å; V226-V245 HydrophobicContact CG2-CB 3.55Å; V226-V245 HydrophobicContact CG2-CG2 3.61Å; V226-V245 VanDerWaalsContact CG2-N 3.26Å; V226-Y294 HydrophobicContact CB-CD2 4.1Å; V226-Y294 HydrophobicContact CB-CE2 4.26Å; V226-Y294 HydrophobicContact CG1-CD2 3.93Å; V226-Y294 HydrophobicContact CG1-CG 4.19Å; V226-Y294 HydrophobicContact CG2-CD1 4.27Å; V226-Y294 HydrophobicContact CG2-CD2 3.83Å; V226-Y294 HydrophobicContact CG2-CE1 4.15Å; V226-Y294 HydrophobicContact CG2-CE2 3.75Å; V226-Y294 HydrophobicContact CG2-CG 4.12Å
227V94Very high95.7Very high13 Ų1346.5 Ų46.58%0.07924%0.238CC..SBendtrans-80.9-35.4174.2175.60000111.5K235 L236 R286 P289 A292V227-K235 CarbonylContact O-C 3.56Å; V227-L236 HydrophobicContact CG1-CB 4.47Å; V227-L236 WeakPolarHBondContact O-CA 3.4Å; V227-L236 PolarHBondContact O-N 3.03Å; V227-R286 HydrophobicContact CG2-CB 3.85Å; V227-R286 HydrophobicContact CG2-CG 4.12Å; V227-P289 HydrophobicContact CG1-CB 3.84Å; V227-P289 HydrophobicContact CG1-CG 4.08Å; V227-A292 HydrophobicContact CB-CB 3.63Å; V227-A292 HydrophobicContact CG2-CB 3.42Å; V227-A292 VanDerWaalsContact CG2-CB 3.42Å; V227-A292 PolarHBondContact N-O 2.5Å
228G92.6Very high95.6Very high2 Ų249.7 Ų49.72%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-153.6148.2-178.700000112.1A292 R293 Y294G228-A292 PolarHBondContact N-O 2.97Å; G228-R293 WeakPolarHBondContact O-CA 3.47Å; G228-Y294 PolarHBondContact O-N 2.86Å
229R95.1Very high95.4Very high18 Ų1858.6 Ų58.67%0.06829%0.288CS..EExtended strand (participates in β ladder)trans-124.1158.4173.456.9179.1165.2-163.9-15.8112A231 T232 G233 Y234 Y294 M296R229-A231 HydrophobicContact CG-CB 4.28Å; R229-A231 PolarHBondContact O-N 2.88Å; R229-A231 VanDerWaalsContact O-N 3.16Å; R229-T232 HydrophobicContact CG-CG2 3.8Å; R229-T232 WeakPolarHBondContact CG-OG1 3.19Å; R229-T232 PolarHBondContact N-OG1 3.37Å; R229-T232 CarbonylContact O-C 3.49Å; R229-T232 PolarHBondContact O-N 3.24Å; R229-T232 PolarHBondContact O-OG1 3.21Å; R229-T232 VanDerWaalsContact O-OG1 3.12Å; R229-G233 PolarHBondContact O-N 3.39Å; R229-Y234 PolarHBondContact O-N 3.31Å; R229-Y294 CarbonylContact C-O 3.51Å; R229-Y294 WeakPolarHBondContact CA-O 3.21Å; R229-Y294 WeakPolarHBondContact CB-O 3.44Å; R229-M296 PolarHBondContact NH1-SD 3.28Å; R229-M296 VanDerWaalsContact NH1-SD 3.43Å
230N94.1Very high95.3Very high40 Ų4055.9 Ų55.921%0.21428%0.278CS..G310 helixtrans-45.2-45.117362.9-18.3000112.3T232 G233 Y234 Y294 M296 F298N230-T232 PolarHBondContact O-N 3.1Å; N230-G233 PolarHBondContact O-N 3.23Å; N230-G233 VanDerWaalsContact O-N 3.11Å; N230-Y234 HydrophobicContact CB-CE1 4.18Å; N230-Y294 PolarHBondContact N-O 2.93Å; N230-Y294 VanDerWaalsContact N-O 3.09Å; N230-M296 PolarHBondContact ND2-O 3.24Å; N230-M296 VanDerWaalsContact OD1-CB 3.3Å; N230-M296 WeakPolarHBondContact OD1-CB 3.05Å; N230-M296 PolarHBondContact OD1-N 3.21Å; N230-F298 VanDerWaalsContact ND2-CE2 3.35Å; N230-F298 WeakPolarHBondContact ND2-CE2 3.44Å
231A90.2Very high95.3Very high52 Ų5248.4 Ų48.443%0.4324%0.243SC..G310 helixtrans-66.3-18.3179.500000114.9R229 M296 F298R229-A231 HydrophobicContact CG-CB 4.28Å; R229-A231 PolarHBondContact O-N 2.88Å; R229-A231 VanDerWaalsContact O-N 3.16Å; A231-M296 HydrophobicContact CB-SD 4.16Å; A231-F298 HydrophobicContact CB-CE1 3.76Å; A231-F298 HydrophobicContact CB-CZ 4.05Å
232T90.4Very high95.2Very high38 Ų3846 Ų4623%0.23323%0.231CC..G310 helixtrans-10813.3176.262.80000112.4R229 N230 Y234 K235R229-T232 HydrophobicContact CG-CG2 3.8Å; R229-T232 WeakPolarHBondContact CG-OG1 3.19Å; R229-T232 PolarHBondContact N-OG1 3.37Å; R229-T232 CarbonylContact O-C 3.49Å; R229-T232 PolarHBondContact O-N 3.24Å; R229-T232 PolarHBondContact O-OG1 3.21Å; R229-T232 VanDerWaalsContact O-OG1 3.12Å; N230-T232 PolarHBondContact O-N 3.1Å; T232-Y234 PolarHBondContact O-N 3.48Å; T232-K235 WeakPolarHBondContact CB-O 3.27Å; T232-K235 PolarHBondContact O-N 2.81Å; T232-K235 PolarHBondContact OG1-O 3.49Å
233G94.2Very high95.1Very high51 Ų5146.1 Ų46.153%0.52623%0.232SC..THydrogen-bonded Turntrans60.933.9-173.700000112.6R229 N230 K235R229-G233 PolarHBondContact O-N 3.39Å; N230-G233 PolarHBondContact O-N 3.23Å; N230-G233 VanDerWaalsContact O-N 3.11Å; G233-K235 PolarHBondContact O-N 3.06Å
234Y95.6Very high95.1Very high79 Ų7945 Ų4531%0.3123%0.228SC..THydrogen-bonded Turntrans57.728-177.4-55.7-71.8000115E210 R229 N230 T232 R293E210-Y234 VanDerWaalsContact OE1-CE1 3.29Å; E210-Y234 WeakPolarHBondContact OE1-CE1 3.38Å; E210-Y234 PolarHBondContact OE1-OH 2.93Å; E210-Y234 WeakPolarHBondContact OE2-CE1 3.19Å; R229-Y234 PolarHBondContact O-N 3.31Å; N230-Y234 HydrophobicContact CB-CE1 4.18Å; T232-Y234 PolarHBondContact O-N 3.48Å; Y234-R293 HydrophobicContact CD1-CB 3.93Å; Y234-R293 HydrophobicContact CD1-CG 3.8Å; Y234-R293 HydrophobicContact CE1-CB 4.24Å; Y234-R293 HydrophobicContact CE1-CG 4.5Å; Y234-R293 HydrophobicContact CG-CG 4.34Å
235K95.4Very high95.1Very high157 Ų15745 Ų4568%0.68323%0.228SC*.SBendtrans-107.5151172.9-64.1-178.9-176.9-1800111.1V227 T232 G233 R237V227-K235 CarbonylContact O-C 3.56Å; T232-K235 WeakPolarHBondContact CB-O 3.27Å; T232-K235 PolarHBondContact O-N 2.81Å; T232-K235 PolarHBondContact OG1-O 3.49Å; G233-K235 PolarHBondContact O-N 3.06Å; K235-R237 PolarHBondContact O-N 2.95Å
236L95.9Very high95.1Very high55 Ų5545.1 Ų45.129%0.28823%0.228SC..  trans-61.5131.1170.9-171.370.2000109.3V227 Y238 Y241V227-L236 HydrophobicContact CG1-CB 4.47Å; V227-L236 WeakPolarHBondContact O-CA 3.4Å; V227-L236 PolarHBondContact O-N 3.03Å; L236-Y238 VanDerWaalsContact C-N 3.31Å; L236-Y238 WeakPolarHBondContact CD2-O 3.38Å; L236-Y238 WeakPolarHBondContact CG-O 3.4Å; L236-Y238 PolarHBondContact O-N 3.47Å; L236-Y241 HydrophobicContact CD1-CD1 4.07Å
237R92.6Very high95.2Very high120 Ų12045.1 Ų45.145%0.45323%0.228SC..SBendtrans-59-43.9-172.8-161.7-179-137176.84112.4K235 Y241K235-R237 PolarHBondContact O-N 2.95Å; R237-Y241 HydrophobicContact CB-CD1 4.07Å; R237-Y241 HydrophobicContact CB-CD2 4.07Å; R237-Y241 HydrophobicContact CB-CG 3.82Å
238Y95.3Very high95.4Very high88 Ų8844.5 Ų44.535%0.34523%0.225SC..SBendtrans-163.9163.8171.553.2-87.1000108.5L236 G240 Y241 D271L236-Y238 VanDerWaalsContact C-N 3.31Å; L236-Y238 WeakPolarHBondContact CD2-O 3.38Å; L236-Y238 WeakPolarHBondContact CG-O 3.4Å; L236-Y238 PolarHBondContact O-N 3.47Å; Y238-G240 VanDerWaalsContact C-N 3.26Å; Y238-G240 PolarHBondContact O-N 3.41Å; Y238-G240 VanDerWaalsContact O-N 3.15Å; Y238-Y241 HydrophobicContact CD1-CD2 4.41Å; Y238-Y241 AromaticContact CE1-CD2 3.61Å; Y238-Y241 HydrophobicContact CE1-CD2 3.61Å; Y238-Y241 HydrophobicContact CE1-CG 4.18Å; Y238-Y241 VanDerWaalsContact CE2-N 3.31Å; Y238-Y241 AromaticContact CZ-CD2 3.75Å; Y238-Y241 VanDerWaalsContact O-CB 3.25Å; Y238-Y241 WeakPolarHBondContact O-CB 3.29Å; Y238-Y241 PolarHBondContact O-N 3.31Å; Y238-D271 WeakPolarHBondContact CE2-OD1 3.41Å; Y238-D271 PolarHBondContact OH-OD1 2.83Å; Y238-D271 PolarHBondContact OH-OD2 3.42Å
239K94.1Very high95.7Very high196 Ų19645.9 Ų45.985%0.85223%0.233SC*.THydrogen-bonded Turntrans-53.1-40.6-172.7-174.5179.8178.3-177.80113.8R286K239-R286 PolarHBondContact O-NH2 2.96Å
240G94.4Very high95.9Very high18 Ų1848.2 Ų48.219%0.18624%0.243CC..THydrogen-bonded Turntrans-87.39.7179.700000115.2Y238 F242 R274Y238-G240 VanDerWaalsContact C-N 3.26Å; Y238-G240 PolarHBondContact O-N 3.41Å; Y238-G240 VanDerWaalsContact O-N 3.15Å; G240-F242 PolarHBondContact O-N 2.98Å; G240-R274 WeakPolarHBondContact O-CD 3.35Å; G240-R274 PolarHBondContact O-NE 2.94Å
241Y96.8Very high96.1Very high11 Ų1152.1 Ų52.14%0.04326%0.264CS..  trans-69.2128.1-176.5-176-112.8000111H224 L236 R237 Y238 G243 R286H224-Y241 AromaticContact CE1-CD1 3.65Å; H224-Y241 PolarHBondContact CE1-O 2.99Å; H224-Y241 VanDerWaalsContact CE1-O 3.31Å; H224-Y241 AromaticContact NE2-CD1 3.76Å; H224-Y241 AromaticContact NE2-CE1 3.9Å; L236-Y241 HydrophobicContact CD1-CD1 4.07Å; R237-Y241 HydrophobicContact CB-CD1 4.07Å; R237-Y241 HydrophobicContact CB-CD2 4.07Å; R237-Y241 HydrophobicContact CB-CG 3.82Å; Y238-Y241 HydrophobicContact CD1-CD2 4.41Å; Y238-Y241 AromaticContact CE1-CD2 3.61Å; Y238-Y241 HydrophobicContact CE1-CD2 3.61Å; Y238-Y241 HydrophobicContact CE1-CG 4.18Å; Y238-Y241 VanDerWaalsContact CE2-N 3.31Å; Y238-Y241 AromaticContact CZ-CD2 3.75Å; Y238-Y241 VanDerWaalsContact O-CB 3.25Å; Y238-Y241 WeakPolarHBondContact O-CB 3.29Å; Y238-Y241 PolarHBondContact O-N 3.31Å; Y241-G243 WeakPolarHBondContact CE1-O 3.29Å; Y241-G243 PolarHBondContact OH-O 2.94Å; Y241-R286 PolarHBondContact O-NH2 3.01Å
242F97.9Very high96.5Very high3 Ų350.2 Ų50.21%0.01325%0.246CC..  trans-136.419-179.1-163-130.7000112.6P222 H224 G240 T246 L273 R274 V277 I284P222-F242 HydrophobicContact CB-CZ 4.19Å; H224-F242 HydrophobicContact CB-CD2 3.67Å; H224-F242 HydrophobicContact CB-CE2 3.74Å; H224-F242 AromaticContact CD2-CD2 3.83Å; H224-F242 AromaticContact CG-CD2 3.92Å; G240-F242 PolarHBondContact O-N 2.98Å; F242-T246 HydrophobicContact CD1-CG2 4.17Å; F242-T246 HydrophobicContact CD2-CG2 3.67Å; F242-T246 HydrophobicContact CE1-CG2 4.01Å; F242-T246 HydrophobicContact CE2-CG2 3.47Å; F242-T246 VanDerWaalsContact CE2-CG2 3.47Å; F242-T246 HydrophobicContact CG-CG2 4.02Å; F242-T246 HydrophobicContact CZ-CG2 3.65Å; F242-T246 WeakPolarHBondContact O-CG2 3.31Å; F242-L273 HydrophobicContact CD1-CB 4.44Å; F242-L273 HydrophobicContact CD1-CD2 4.03Å; F242-L273 HydrophobicContact CD1-CG 4.16Å; F242-L273 HydrophobicContact CE1-CD2 3.59Å; F242-L273 HydrophobicContact CE1-CG 3.89Å; F242-R274 HydrophobicContact CB-CB 3.94Å; F242-R274 HydrophobicContact CD1-CB 4.12Å; F242-R274 HydrophobicContact CG-CB 4.3Å; F242-V277 HydrophobicContact CE1-CG2 4.27Å; F242-I284 HydrophobicContact CB-CD1 4.28Å; F242-I284 HydrophobicContact CD1-CD1 4.12Å; F242-I284 HydrophobicContact CD2-CD1 3.57Å; F242-I284 HydrophobicContact CD2-CG1 4.06Å; F242-I284 HydrophobicContact CD2-CG2 3.76Å; F242-I284 HydrophobicContact CE1-CD1 4.34Å; F242-I284 HydrophobicContact CE2-CB 4.39Å; F242-I284 HydrophobicContact CE2-CD1 3.85Å; F242-I284 HydrophobicContact CE2-CG1 3.83Å; F242-I284 HydrophobicContact CE2-CG2 3.64Å; F242-I284 HydrophobicContact CG-CD1 3.74Å; F242-I284 HydrophobicContact CZ-CD1 4.23Å; F242-I284 HydrophobicContact CZ-CG1 4.17Å
243G96.8Very high96.9Very high2 Ų248.4 Ų48.42%0.02124%0.235CC..  trans-93173.9178.600000113.5H224 Y241 V245 D270H224-G243 PolarHBondContact NE2-O 3.36Å; H224-G243 VanDerWaalsContact NE2-O 3.1Å; Y241-G243 WeakPolarHBondContact CE1-O 3.29Å; Y241-G243 PolarHBondContact OH-O 2.94Å; G243-V245 PolarHBondContact O-N 2.89Å; G243-D270 VanDerWaalsContact CA-OD2 3.29Å; G243-D270 WeakPolarHBondContact CA-OD2 3.19Å; G243-D270 PolarHBondContact N-OD2 3.36Å
244G97.7Very high97.2Very high1 Ų152 Ų521%0.0124%0.238CC..SBendtrans90.8-99.5-176.900000111.9R180 D204R180-G244 PolarHBondContact NH2-O 3.36Å; D204-G244 PolarHBondContact N-O 3.03Å; D204-G244 VanDerWaalsContact OD2-CA 3.29Å; D204-G244 WeakPolarHBondContact OD2-CA 3.48Å
245V98.8Very high97.3Very high0 Ų053.5 Ų53.50%025%0.246CC..EExtended strand (participates in β ladder)trans-125.7124.8-178.5-1670000110.7V201 F202 H203 L207 Y216 L225 V226 G243 Y294V201-V245 HydrophobicContact CG1-CG1 3.61Å; F202-V245 VanDerWaalsContact O-CA 3.27Å; F202-V245 WeakPolarHBondContact O-CA 3.44Å; H203-V245 HydrophobicContact CB-CG1 4.17Å; H203-V245 VanDerWaalsContact CD2-CG1 3.42Å; H203-V245 WeakPolarHBondContact CD2-CG1 3.44Å; H203-V245 WeakPolarHBondContact CD2-CG2 3.5Å; L207-V245 HydrophobicContact CB-CG2 4.2Å; L207-V245 HydrophobicContact CD1-CG2 4.21Å; Y216-V245 HydrophobicContact CE1-CG1 4.34Å; L225-V245 HydrophobicContact CB-CB 4.15Å; L225-V245 HydrophobicContact CB-CG1 4.13Å; L225-V245 HydrophobicContact CD1-CG1 3.78Å; L225-V245 PolarHBondContact N-O 3.43Å; V226-V245 HydrophobicContact CG2-CB 3.55Å; V226-V245 HydrophobicContact CG2-CG2 3.61Å; V226-V245 VanDerWaalsContact CG2-N 3.26Å; G243-V245 PolarHBondContact O-N 2.89Å; V245-Y294 HydrophobicContact CB-CE1 4.49Å; V245-Y294 HydrophobicContact CG2-CE1 3.8Å
246T98.7Very high97.5Very high2 Ų246 Ų461%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-134.3150.1179.754.80000110.5V201 F202 K223 F242V201-T246 CarbonylContact C-O 3.5Å; V201-T246 VanDerWaalsContact CA-O 3.31Å; V201-T246 WeakPolarHBondContact CA-O 3.42Å; F202-T246 PolarHBondContact N-O 3.09Å; F202-T246 PolarHBondContact O-N 3.3Å; K223-T246 CarbonylContact O-C 3.53Å; K223-T246 VanDerWaalsContact O-CA 3.27Å; K223-T246 WeakPolarHBondContact O-CA 3.48Å; F242-T246 HydrophobicContact CD1-CG2 4.17Å; F242-T246 HydrophobicContact CD2-CG2 3.67Å; F242-T246 HydrophobicContact CE1-CG2 4.01Å; F242-T246 HydrophobicContact CE2-CG2 3.47Å; F242-T246 VanDerWaalsContact CE2-CG2 3.47Å; F242-T246 HydrophobicContact CG-CG2 4.02Å; F242-T246 HydrophobicContact CZ-CG2 3.65Å; F242-T246 WeakPolarHBondContact O-CG2 3.31Å
247A98.8Very high97.6Very high1 Ų144.3 Ų44.31%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-126.2131.9175.800000110.5F200 V201 K223 L225F200-A247 VanDerWaalsContact O-CA 3.3Å; F200-A247 WeakPolarHBondContact O-CA 3.17Å; V201-A247 HydrophobicContact CG2-CB 3.97Å; K223-A247 HydrophobicContact CB-CB 4.28Å; K223-A247 PolarHBondContact N-O 2.89Å; K223-A247 PolarHBondContact O-N 3.19Å; L225-A247 HydrophobicContact CD1-CB 4.12Å
248M98.9Very high97.9Very high0 Ų038.6 Ų38.60%018%0.183CC..EExtended strand (participates in β ladder)trans-139.2140.3177.6-59.3-178.267.200109.7F200 F202 C218 P222 Q252 F253 V256 L273 V277 M282F200-M248 PolarHBondContact N-O 2.92Å; F200-M248 PolarHBondContact O-N 3.5Å; F202-M248 HydrophobicContact CE2-CB 4.13Å; F202-M248 HydrophobicContact CE2-CG 4.21Å; F202-M248 HydrophobicContact CE2-SD 4.35Å; C218-M248 PolarHBondContact SG-N 3.47Å; C218-M248 PolarHBondContact SG-O 3.46Å; P222-M248 HydrophobicContact CB-CE 4.29Å; P222-M248 HydrophobicContact CB-CG 4.05Å; P222-M248 HydrophobicContact CG-CE 3.95Å; M248-Q252 HydrophobicContact CB-CB 4.09Å; M248-Q252 HydrophobicContact CE-CB 3.91Å; M248-F253 HydrophobicContact CB-CB 4.22Å; M248-F253 HydrophobicContact SD-CD2 3.96Å; M248-V256 HydrophobicContact CE-CG1 4.3Å; M248-V256 HydrophobicContact CE-CG2 3.89Å; M248-L273 HydrophobicContact SD-CD1 4.44Å; M248-L273 HydrophobicContact SD-CD2 4.11Å; M248-V277 HydrophobicContact CE-CG2 3.89Å; M248-V277 HydrophobicContact SD-CG2 4.5Å; M248-M282 HydrophobicContact CE-CE 4.41Å
249T98.9Very high98.1Very high32 Ų3234.5 Ų34.520%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-63161.9172.270.10000110.3D198 C218 D251 Q252 F253D198-T249 WeakPolarHBondContact O-CA 3.18Å; C218-T249 HydrophobicContact CB-CG2 3.67Å; C218-T249 PolarHBondContact SG-N 3.21Å; T249-D251 PolarHBondContact O-N 3.05Å; T249-Q252 HydrophobicContact CG2-CG 4.49Å; T249-Q252 PolarHBondContact O-N 3.41Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.34Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.27Å; T249-Q252 PolarHBondContact OG1-N 3.27Å; T249-F253 PolarHBondContact O-N 2.84Å
250K98.6Very high98.3Very high66 Ų6625.2 Ų25.229%0.28713%0.127SC..Hα-helixtrans-45.5-49171.2-172.1177.5177.7178.60112.1Y188 L192 D196 D198 F200 H254Y188-K250 PolarHBondContact OH-O 3.13Å; L192-K250 HydrophobicContact CD2-CD 4.02Å; L192-K250 HydrophobicContact CD2-CG 4.37Å; D196-K250 IonicContact OD1-NZ 3.52Å; D196-K250 PolarHBondContact OD1-NZ 2.88Å; D198-K250 PolarHBondContact O-N 3.29Å; F200-K250 HydrophobicContact CD2-CB 4.5Å; F200-K250 HydrophobicContact CE2-CB 3.86Å; F200-K250 HydrophobicContact CE2-CG 4.12Å; K250-H254 WeakPolarHBondContact O-CB 3.3Å; K250-H254 PolarHBondContact O-N 3.03Å
251D98.7Very high98.5Very high122 Ų12224.9 Ų24.965%0.65212%0.121SC*.Hα-helixtrans-71.7-41.4-177.6-66.3-21.9000113T249 F253 H254 K255T249-D251 PolarHBondContact O-N 3.05Å; D251-F253 VanDerWaalsContact C-N 3.32Å; D251-F253 PolarHBondContact O-N 3.09Å; D251-H254 PolarHBondContact O-N 2.6Å; D251-K255 WeakPolarHBondContact O-CB 3.33Å; D251-K255 PolarHBondContact O-N 3.14Å
252Q98.9Very high98.5Very high12 Ų1227 Ų276%0.05614%0.135CC..Hα-helixtrans-59.8-45.6177.7-74.5166.3-2.700110.8D219 Q220 P222 M248 T249 K255 V256 M282D219-Q252 PolarHBondContact O-NE2 3.26Å; Q220-Q252 PolarHBondContact O-NE2 3.41Å; P222-Q252 HydrophobicContact CG-CG 4.46Å; M248-Q252 HydrophobicContact CB-CB 4.09Å; M248-Q252 HydrophobicContact CE-CB 3.91Å; T249-Q252 HydrophobicContact CG2-CG 4.49Å; T249-Q252 PolarHBondContact O-N 3.41Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.34Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.27Å; T249-Q252 PolarHBondContact OG1-N 3.27Å; Q252-K255 PolarHBondContact O-N 3.03Å; Q252-V256 PolarHBondContact O-N 2.58Å; Q252-M282 HydrophobicContact CB-CE 4.47Å; Q252-M282 HydrophobicContact CB-SD 4.17Å; Q252-M282 HydrophobicContact CG-SD 3.81Å
253F98.9Very high98.5Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-69.8-40-179.5-167.9-111.4000112.1N185 Y188 F202 M248 T249 D251 K255 V256 N257 G258 F259 L327N185-F253 VanDerWaalsContact OD1-CZ 3.3Å; N185-F253 WeakPolarHBondContact OD1-CZ 2.98Å; Y188-F253 AromaticContact CD1-CD1 3.89Å; Y188-F253 HydrophobicContact CD1-CD1 3.89Å; Y188-F253 AromaticContact CD1-CE1 3.94Å; Y188-F253 HydrophobicContact CD1-CE1 3.94Å; Y188-F253 AromaticContact CD2-CD1 3.34Å; Y188-F253 HydrophobicContact CD2-CD1 3.34Å; Y188-F253 AromaticContact CD2-CE1 3.8Å; Y188-F253 HydrophobicContact CD2-CE1 3.8Å; Y188-F253 HydrophobicContact CD2-CG 4.23Å; Y188-F253 HydrophobicContact CE1-CD1 4.05Å; Y188-F253 HydrophobicContact CE2-CB 4.11Å; Y188-F253 AromaticContact CE2-CD1 3.53Å; Y188-F253 HydrophobicContact CE2-CD1 3.53Å; Y188-F253 HydrophobicContact CE2-CE1 4.39Å; Y188-F253 HydrophobicContact CE2-CG 4.24Å; Y188-F253 AromaticContact CG-CD1 3.53Å; Y188-F253 HydrophobicContact CG-CD1 3.53Å; Y188-F253 AromaticContact CG-CE1 3.54Å; Y188-F253 HydrophobicContact CG-CE1 3.54Å; Y188-F253 AromaticContact CZ-CD1 3.88Å; F202-F253 HydrophobicContact CE1-CD2 4.12Å; F202-F253 HydrophobicContact CE1-CE1 4.06Å; F202-F253 AromaticContact CE1-CE2 3.66Å; F202-F253 HydrophobicContact CE1-CE2 3.66Å; F202-F253 AromaticContact CE1-CZ 3.6Å; F202-F253 HydrophobicContact CE1-CZ 3.6Å; F202-F253 AromaticContact CE2-CD2 3.68Å; F202-F253 HydrophobicContact CE2-CD2 3.68Å; F202-F253 AromaticContact CE2-CE2 3.85Å; F202-F253 HydrophobicContact CE2-CE2 3.85Å; F202-F253 HydrophobicContact CE2-CG 4.32Å; F202-F253 HydrophobicContact CZ-CB 4.38Å; F202-F253 AromaticContact CZ-CD1 3.98Å; F202-F253 HydrophobicContact CZ-CD1 3.98Å; F202-F253 AromaticContact CZ-CD2 3.24Å; F202-F253 HydrophobicContact CZ-CD2 3.24Å; F202-F253 AromaticContact CZ-CE1 3.95Å; F202-F253 HydrophobicContact CZ-CE1 3.95Å; F202-F253 AromaticContact CZ-CE2 3.24Å; F202-F253 HydrophobicContact CZ-CE2 3.24Å; F202-F253 AromaticContact CZ-CG 3.62Å; F202-F253 HydrophobicContact CZ-CG 3.62Å; F202-F253 AromaticContact CZ-CZ 3.59Å; F202-F253 HydrophobicContact CZ-CZ 3.59Å; M248-F253 HydrophobicContact CB-CB 4.22Å; M248-F253 HydrophobicContact SD-CD2 3.96Å; T249-F253 PolarHBondContact O-N 2.84Å; D251-F253 VanDerWaalsContact C-N 3.32Å; D251-F253 PolarHBondContact O-N 3.09Å; F253-K255 PolarHBondContact O-N 2.9Å; F253-V256 HydrophobicContact CD2-CG2 4.43Å; F253-V256 WeakPolarHBondContact O-CG2 3.46Å; F253-V256 PolarHBondContact O-N 2.81Å; F253-N257 PolarHBondContact O-N 3.13Å; F253-G258 VanDerWaalsContact CZ-CA 3.41Å; F253-G258 PolarHBondContact O-N 3.45Å; F253-F259 AromaticContact CE2-CD2 3.57Å; F253-F259 HydrophobicContact CE2-CD2 3.57Å; F253-F259 AromaticContact CE2-CE2 3.62Å; F253-F259 HydrophobicContact CE2-CE2 3.62Å; F253-F259 HydrophobicContact CE2-CG 4.47Å; F253-F259 AromaticContact CZ-CD2 3.61Å; F253-F259 HydrophobicContact CZ-CD2 3.61Å; F253-F259 AromaticContact CZ-CE2 3.96Å; F253-F259 HydrophobicContact CZ-CE2 3.96Å; F253-L327 HydrophobicContact CD1-CD1 4.02Å; F253-L327 HydrophobicContact CE1-CD1 4.13Å; F253-L327 HydrophobicContact CE1-CD2 3.93Å; F253-L327 HydrophobicContact CE1-CG 4.29Å
254H98.6Very high98.5Very high126 Ų12628.4 Ų28.458%0.58314%0.14SC*.Hα-helixtrans-60.9-44.4173.5-173.476.5000112K250 D251 V256 N257K250-H254 WeakPolarHBondContact O-CB 3.3Å; K250-H254 PolarHBondContact O-N 3.03Å; D251-H254 PolarHBondContact O-N 2.6Å; H254-V256 VanDerWaalsContact C-N 3.26Å; H254-V256 PolarHBondContact O-N 2.86Å; H254-N257 WeakPolarHBondContact O-CA 3.29Å; H254-N257 PolarHBondContact O-N 3.5Å
255K98.7Very high98.4Very high111 Ų11128.8 Ų28.848%0.48314%0.143SC..Hα-helixtrans-62.1-30.4-178-173.1176.4-177.3-177.80113.5D251 Q252 F253 N257 Q280D251-K255 WeakPolarHBondContact O-CB 3.33Å; D251-K255 PolarHBondContact O-N 3.14Å; Q252-K255 PolarHBondContact O-N 3.03Å; F253-K255 PolarHBondContact O-N 2.9Å; K255-N257 VanDerWaalsContact C-N 3.29Å; K255-Q280 HydrophobicContact CD-CB 4.48Å; K255-Q280 VanDerWaalsContact CE-OE1 3.24Å; K255-Q280 HydrophobicContact CG-CB 4.4Å; K255-Q280 HydrophobicContact CG-CG 4.03Å
256V98.8Very high98.3Very high0 Ų033.5 Ų33.50%016%0.161CC..THydrogen-bonded Turntrans-87.23.6174.6-60.30000113.3M248 Q252 F253 H254 G258 L273 R276 V277 Q280 M282M248-V256 HydrophobicContact CE-CG1 4.3Å; M248-V256 HydrophobicContact CE-CG2 3.89Å; Q252-V256 PolarHBondContact O-N 2.58Å; F253-V256 HydrophobicContact CD2-CG2 4.43Å; F253-V256 WeakPolarHBondContact O-CG2 3.46Å; F253-V256 PolarHBondContact O-N 2.81Å; H254-V256 VanDerWaalsContact C-N 3.26Å; H254-V256 PolarHBondContact O-N 2.86Å; V256-G258 PolarHBondContact O-N 2.83Å; V256-L273 HydrophobicContact CG2-CD1 3.9Å; V256-R276 HydrophobicContact CB-CB 3.86Å; V256-R276 HydrophobicContact CG1-CB 4.23Å; V256-R276 WeakPolarHBondContact O-CD 3.27Å; V256-V277 HydrophobicContact CG1-CG2 4.07Å; V256-Q280 HydrophobicContact CG1-CB 4.25Å; V256-Q280 HydrophobicContact CG1-CG 3.83Å; V256-M282 HydrophobicContact CG1-CE 3.45Å; V256-M282 VanDerWaalsContact CG1-CE 3.45Å
257N98.9Very high98.1Very high19 Ų1933.7 Ų33.710%0.10216%0.164CC..THydrogen-bonded Turntrans56.834.2-171.6-170.137.2000112.2F253 H254 K255 R276 W322 G326 L327 N328F253-N257 PolarHBondContact O-N 3.13Å; H254-N257 WeakPolarHBondContact O-CA 3.29Å; H254-N257 PolarHBondContact O-N 3.5Å; K255-N257 VanDerWaalsContact C-N 3.29Å; N257-R276 PolarHBondContact O-NH1 3.16Å; N257-W322 HydrophobicContact CB-CE3 4.09Å; N257-W322 HydrophobicContact CB-CZ3 4.1Å; N257-W322 PolarHBondContact ND2-O 2.92Å; N257-G326 PolarHBondContact ND2-N 3.41Å; N257-G326 CarbonylContact O-C 3.55Å; N257-G326 WeakPolarHBondContact O-CA 3.33Å; N257-L327 PolarHBondContact O-N 3.5Å; N257-L327 PolarHBondContact OD1-N 2.82Å; N257-N328 PolarHBondContact ND2-OD1 2.68Å; N257-N328 PolarHBondContact OD1-N 2.86Å; N257-N328 VanDerWaalsContact OD1-N 3.09Å; N257-N328 PolarHBondContact OD1-OD1 2.89Å
258G98.8Very high98Very high0 Ų034 Ų340%017%0.167CC..SBendtrans54.7-157.1-174.800000115.2F253 V256 R276F253-G258 VanDerWaalsContact CZ-CA 3.41Å; F253-G258 PolarHBondContact O-N 3.45Å; V256-G258 PolarHBondContact O-N 2.83Å; G258-R276 VanDerWaalsContact O-CD 3.26Å; G258-R276 WeakPolarHBondContact O-CD 3.44Å; G258-R276 PolarHBondContact O-NH1 3.02Å
259F98.8Very high98Very high2 Ų234.8 Ų34.81%0.00917%0.171CC..SBendtrans-76162.3176.6-71.4-83.7000112.4A181 L184 N185 F202 F253 L273 R276 G326A181-F259 HydrophobicContact CB-CB 3.96Å; A181-F259 HydrophobicContact CB-CD1 4.48Å; A181-F259 HydrophobicContact CB-CG 4.41Å; L184-F259 HydrophobicContact CB-CD2 3.74Å; L184-F259 HydrophobicContact CB-CE2 3.68Å; L184-F259 HydrophobicContact CD1-CD2 4.23Å; L184-F259 HydrophobicContact CD1-CE1 4.36Å; L184-F259 HydrophobicContact CD1-CE2 3.62Å; L184-F259 HydrophobicContact CD1-CZ 3.68Å; L184-F259 HydrophobicContact CG-CE2 4.29Å; N185-F259 PolarHBondContact ND2-O 3.28Å; N185-F259 PolarHBondContact OD1-N 2.95Å; F202-F259 HydrophobicContact CB-CE2 4.38Å; F202-F259 HydrophobicContact CB-CZ 4.35Å; F202-F259 AromaticContact CD1-CE2 3.68Å; F202-F259 HydrophobicContact CD1-CE2 3.68Å; F202-F259 HydrophobicContact CD1-CZ 4.44Å; F202-F259 HydrophobicContact CD2-CE2 4.26Å; F202-F259 HydrophobicContact CD2-CZ 4.45Å; F202-F259 AromaticContact CE1-CE2 3.97Å; F202-F259 HydrophobicContact CE1-CE2 3.97Å; F202-F259 AromaticContact CG-CE2 3.83Å; F202-F259 HydrophobicContact CG-CE2 3.83Å; F202-F259 HydrophobicContact CG-CZ 4.15Å; F202-F259 HydrophobicContact CZ-CE2 4.41Å; F253-F259 AromaticContact CE2-CD2 3.57Å; F253-F259 HydrophobicContact CE2-CD2 3.57Å; F253-F259 AromaticContact CE2-CE2 3.62Å; F253-F259 HydrophobicContact CE2-CE2 3.62Å; F253-F259 HydrophobicContact CE2-CG 4.47Å; F253-F259 AromaticContact CZ-CD2 3.61Å; F253-F259 HydrophobicContact CZ-CD2 3.61Å; F253-F259 AromaticContact CZ-CE2 3.96Å; F253-F259 HydrophobicContact CZ-CE2 3.96Å; F259-L273 HydrophobicContact CD1-CB 3.77Å; F259-L273 HydrophobicContact CD1-CD1 4.35Å; F259-L273 HydrophobicContact CD1-CD2 3.91Å; F259-L273 HydrophobicContact CD1-CG 4.2Å; F259-L273 HydrophobicContact CE1-CB 3.71Å; F259-L273 HydrophobicContact CE1-CD1 4.44Å; F259-L273 HydrophobicContact CE1-CD2 3.21Å; F259-L273 HydrophobicContact CE1-CG 3.93Å; F259-L273 HydrophobicContact CE2-CD2 4.11Å; F259-L273 HydrophobicContact CZ-CD2 3.32Å; F259-L273 HydrophobicContact CZ-CG 4.42Å; F259-R276 PolarHBondContact O-NH1 3.49Å; F259-G326 WeakPolarHBondContact O-CA 3.22Å
260S98.5Very high97.9Very high1 Ų134 Ų341%0.00717%0.165CC..  trans-66.5140.2165.3174.50000111.5A181 T262 Y263 R276 D325A181-S260 WeakPolarHBondContact CB-O 3.37Å; S260-T262 VanDerWaalsContact C-N 3.32Å; S260-T262 PolarHBondContact OG-N 3.17Å; S260-T262 VanDerWaalsContact OG-N 3.14Å; S260-T262 PolarHBondContact OG-OG1 2.79Å; S260-Y263 WeakPolarHBondContact OG-CD2 3.32Å; S260-R276 VanDerWaalsContact CB-NH2 3.31Å; S260-D325 WeakPolarHBondContact CA-OD2 3.27Å; S260-D325 VanDerWaalsContact CB-OD2 3.28Å; S260-D325 WeakPolarHBondContact CB-OD2 3.05Å; S260-D325 PolarHBondContact OG-OD2 2.77Å
261N98.4Very high97.9Very high11 Ų1132 Ų326%0.05916%0.158CC..SBendtrans-87.4-1.8174.6-60.7-48.6000113N179 K182 N185 D325 G326 T329 C330N179-N261 PolarHBondContact ND2-O 3.19Å; K182-N261 HydrophobicContact CD-CB 4.08Å; K182-N261 HydrophobicContact CG-CB 4.25Å; N185-N261 PolarHBondContact ND2-OD1 3.09Å; N261-D325 WeakPolarHBondContact CB-OD1 3.44Å; N261-D325 PolarHBondContact N-OD1 3.36Å; N261-G326 PolarHBondContact ND2-O 2.91Å; N261-T329 PolarHBondContact ND2-OG1 3.33Å; N261-C330 PolarHBondContact ND2-N 3.48Å
262T97.1Very high97.9Very high55 Ų5526.3 Ų26.334%0.33713%0.128SC..  trans-101.6-3-166.165.10000114.6S260 W264S260-T262 VanDerWaalsContact C-N 3.32Å; S260-T262 PolarHBondContact OG-N 3.17Å; S260-T262 VanDerWaalsContact OG-N 3.14Å; S260-T262 PolarHBondContact OG-OG1 2.79Å; T262-W264 PolarHBondContact O-N 2.88Å; T262-W264 VanDerWaalsContact O-N 3.07Å
263Y97.7Very high97.9Very high3 Ų325.8 Ų25.81%0.01213%0.125CC..  trans-83.782.1178.4-76-100.5000111.3N179 S260 G267 G268 E269 D272 R311 L314 L315N179-Y263 PolarHBondContact OD1-O 2.87Å; S260-Y263 WeakPolarHBondContact OG-CD2 3.32Å; Y263-G267 WeakPolarHBondContact CD1-O 3.43Å; Y263-G268 WeakPolarHBondContact CE1-O 3.48Å; Y263-G268 PolarHBondContact OH-O 3.31Å; Y263-E269 HydrophobicContact CD1-CB 3.92Å; Y263-E269 HydrophobicContact CD2-CB 4.1Å; Y263-E269 HydrophobicContact CG-CB 3.63Å; Y263-D272 HydrophobicContact CE2-CB 3.86Å; Y263-R311 HydrophobicContact CE1-CB 4.29Å; Y263-L314 HydrophobicContact CD1-CD1 4.11Å; Y263-L314 HydrophobicContact CD2-CD1 4.33Å; Y263-L314 HydrophobicContact CE1-CB 3.98Å; Y263-L314 HydrophobicContact CE1-CD1 4.13Å; Y263-L314 HydrophobicContact CE2-CB 4.03Å; Y263-L314 HydrophobicContact CE2-CD1 4.35Å; Y263-L314 HydrophobicContact CG-CD1 4.23Å; Y263-L314 WeakPolarHBondContact OH-CB 3.44Å; Y263-L315 VanDerWaalsContact OH-CA 3.27Å; Y263-L315 WeakPolarHBondContact OH-CA 3.22Å; Y263-L315 PolarHBondContact OH-N 3.48Å; Y263-L315 VanDerWaalsContact OH-N 3.07Å
264W97.4Very high97.9Very high33 Ų3327.7 Ų27.713%0.12513%0.132CC..  trans-84.4118.3171.7-63.693.7000110.4V176 T177 N179 T262 N308 I350 G351 P353V176-W264 HydrophobicContact CG2-CZ3 4.38Å; T177-W264 HydrophobicContact CG2-CB 4.17Å; T177-W264 VanDerWaalsContact O-CZ3 3.23Å; T177-W264 WeakPolarHBondContact O-CZ3 3.18Å; N179-W264 HydrophobicContact CB-CD2 4.07Å; N179-W264 HydrophobicContact CB-CE3 3.68Å; N179-W264 HydrophobicContact CB-CH2 4.34Å; N179-W264 HydrophobicContact CB-CZ3 3.83Å; N179-W264 VanDerWaalsContact ND2-CE2 3.33Å; T262-W264 PolarHBondContact O-N 2.88Å; T262-W264 VanDerWaalsContact O-N 3.07Å; W264-N308 WeakPolarHBondContact O-CB 3.35Å; W264-N308 VanDerWaalsContact O-CG 3.31Å; W264-N308 PolarHBondContact O-ND2 3.07Å; W264-I350 HydrophobicContact CH2-CD1 3.82Å; W264-I350 HydrophobicContact CH2-CG1 3.89Å; W264-I350 HydrophobicContact CZ3-CD1 3.86Å; W264-I350 HydrophobicContact CZ3-CG1 4.22Å; W264-G351 WeakPolarHBondContact CH2-O 3.39Å; W264-P353 HydrophobicContact CB-CB 4.29Å; W264-P353 HydrophobicContact CB-CG 3.99Å; W264-P353 HydrophobicContact CD2-CB 4.08Å; W264-P353 HydrophobicContact CD2-CG 3.62Å; W264-P353 HydrophobicContact CE3-CG 3.89Å; W264-P353 HydrophobicContact CG-CB 3.8Å; W264-P353 HydrophobicContact CG-CG 3.65Å
265G96.4Very high97.9Very high8 Ų823 Ų238%0.08211%0.111CC..SBendtrans89.1-168.6-174.500000112.9T177 F178T177-G265 VanDerWaalsContact CG2-N 3.29Å; F178-G265 PolarHBondContact O-N 3.28Å
266W95.1Very high97.9Very high99 Ų9917.7 Ų17.738%0.3759%0.088SC..BIsolated β-bridgetrans-84.1122.2-167-176.181.7000114.1N305 E306 I307 N308 R311W266-N305 PolarHBondContact N-OD1 2.88Å; W266-E306 PolarHBondContact N-O 3.27Å; W266-I307 HydrophobicContact CE3-CG1 3.79Å; W266-I307 HydrophobicContact CZ3-CG1 4.24Å; W266-N308 PolarHBondContact O-N 2.54Å; W266-R311 PolarHBondContact O-NH1 3Å
267G95Very high97.9Very high7 Ų717.7 Ų17.77%0.0729%0.088CC..SBendtrans107.7146.7151.400000115.7Y263 E269 R311Y263-G267 WeakPolarHBondContact CD1-O 3.43Å; G267-E269 VanDerWaalsContact C-OE2 3.28Å; G267-E269 WeakPolarHBondContact CA-OE2 3.2Å; G267-R311 WeakPolarHBondContact O-CB 3.36Å
268G96.9Very high97.9Very high7 Ų721.3 Ų21.37%0.07210%0.104CC..SBendtrans93.4-8.1172.200000114.2Y263 D272Y263-G268 WeakPolarHBondContact CE1-O 3.48Å; Y263-G268 PolarHBondContact OH-O 3.31Å; G268-D272 WeakPolarHBondContact O-CB 3.42Å; G268-D272 PolarHBondContact O-N 2.85Å
269E98.4Very high97.9Very high17 Ų1724.7 Ų24.78%0.07912%0.122CC..Hα-helixtrans-73.8-31.1178.782-65168.100112.7R180 A181 Y263 G267 L273R180-E269 WeakPolarHBondContact CD-OE1 3.43Å; R180-E269 IonicContact CZ-OE1 2.62Å; R180-E269 IonicContact NE-OE1 3.86Å; R180-E269 IonicContact NH1-OE1 3.48Å; R180-E269 PolarHBondContact NH1-OE1 3.08Å; A181-E269 HydrophobicContact CB-CB 3.78Å; A181-E269 HydrophobicContact CB-CG 3.84Å; Y263-E269 HydrophobicContact CD1-CB 3.92Å; Y263-E269 HydrophobicContact CD2-CB 4.1Å; Y263-E269 HydrophobicContact CG-CB 3.63Å; G267-E269 VanDerWaalsContact C-OE2 3.28Å; G267-E269 WeakPolarHBondContact CA-OE2 3.2Å; E269-L273 PolarHBondContact O-N 3.43Å
270D98.1Very high97.9Very high15 Ų1526.2 Ų26.28%0.0813%0.129CC..Hα-helixtrans-71.9-40.917358.3-29.5000111.8G243 D272 L273 R274G243-D270 VanDerWaalsContact CA-OD2 3.29Å; G243-D270 WeakPolarHBondContact CA-OD2 3.19Å; G243-D270 PolarHBondContact N-OD2 3.36Å; D270-D272 VanDerWaalsContact C-N 3.34Å; D270-L273 PolarHBondContact O-N 2.97Å; D270-R274 PolarHBondContact O-N 3.44Å
271D98.4Very high97.9Very high25 Ų2535.3 Ų35.313%0.13417%0.168CC..Hα-helixtrans-64.3-38.3171.4-72.9-45.2000112Y238 R274 I275 L315Y238-D271 WeakPolarHBondContact CE2-OD1 3.41Å; Y238-D271 PolarHBondContact OH-OD1 2.83Å; Y238-D271 PolarHBondContact OH-OD2 3.42Å; D271-R274 PolarHBondContact O-N 2.9Å; D271-R274 IonicContact OD1-NH2 2.61Å; D271-I275 WeakPolarHBondContact O-CG1 3.45Å; D271-I275 PolarHBondContact O-N 3.39Å; D271-L315 HydrophobicContact CB-CD1 3.59Å; D271-L315 HydrophobicContact CB-CD2 3.96Å; D271-L315 HydrophobicContact CB-CG 4.46Å
272D98.8Very high97.9Very high2 Ų235.7 Ų35.71%0.01117%0.17CC..Hα-helixtrans-60.6-49.8173.9-177.8-79.6000110.4Y263 G268 D270 R274 I275 R276 L315 T318Y263-D272 HydrophobicContact CE2-CB 3.86Å; G268-D272 WeakPolarHBondContact O-CB 3.42Å; G268-D272 PolarHBondContact O-N 2.85Å; D270-D272 VanDerWaalsContact C-N 3.34Å; D272-R274 VanDerWaalsContact C-N 3.32Å; D272-R274 PolarHBondContact O-N 2.82Å; D272-I275 WeakPolarHBondContact O-CB 3.3Å; D272-I275 PolarHBondContact O-N 3.03Å; D272-I275 VanDerWaalsContact O-N 3.08Å; D272-R276 WeakPolarHBondContact O-CG 3.08Å; D272-R276 PolarHBondContact O-N 3.48Å; D272-R276 IonicContact OD1-CZ 3.98Å; D272-R276 VanDerWaalsContact OD1-CZ 3.29Å; D272-R276 IonicContact OD1-NE 2.91Å; D272-R276 PolarHBondContact OD1-NE 3.06Å; D272-R276 IonicContact OD1-NH2 3.67Å; D272-R276 PolarHBondContact OD1-NH2 3.03Å; D272-R276 VanDerWaalsContact OD1-NH2 3.13Å; D272-L315 HydrophobicContact CB-CD1 4.22Å; D272-T318 HydrophobicContact CB-CG2 4.34Å; D272-T318 VanDerWaalsContact CG-CG2 3.46Å; D272-T318 VanDerWaalsContact OD2-CB 3.27Å; D272-T318 WeakPolarHBondContact OD2-CB 3.49Å; D272-T318 WeakPolarHBondContact OD2-CG2 3.44Å; D272-T318 PolarHBondContact OD2-OG1 2.85Å
273L98.8Very high97.9Very high0 Ų039.7 Ų39.70%019%0.185CC..Hα-helixtrans-57.6-44.1176.3-179.165.5000111.8F242 M248 V256 F259 E269 D270 I275 R276 V277F242-L273 HydrophobicContact CD1-CB 4.44Å; F242-L273 HydrophobicContact CD1-CD2 4.03Å; F242-L273 HydrophobicContact CD1-CG 4.16Å; F242-L273 HydrophobicContact CE1-CD2 3.59Å; F242-L273 HydrophobicContact CE1-CG 3.89Å; M248-L273 HydrophobicContact SD-CD1 4.44Å; M248-L273 HydrophobicContact SD-CD2 4.11Å; V256-L273 HydrophobicContact CG2-CD1 3.9Å; F259-L273 HydrophobicContact CD1-CB 3.77Å; F259-L273 HydrophobicContact CD1-CD1 4.35Å; F259-L273 HydrophobicContact CD1-CD2 3.91Å; F259-L273 HydrophobicContact CD1-CG 4.2Å; F259-L273 HydrophobicContact CE1-CB 3.71Å; F259-L273 HydrophobicContact CE1-CD1 4.44Å; F259-L273 HydrophobicContact CE1-CD2 3.21Å; F259-L273 HydrophobicContact CE1-CG 3.93Å; F259-L273 HydrophobicContact CE2-CD2 4.11Å; F259-L273 HydrophobicContact CZ-CD2 3.32Å; F259-L273 HydrophobicContact CZ-CG 4.42Å; E269-L273 PolarHBondContact O-N 3.43Å; D270-L273 PolarHBondContact O-N 2.97Å; L273-I275 VanDerWaalsContact C-N 3.31Å; L273-I275 PolarHBondContact O-N 3.27Å; L273-R276 WeakPolarHBondContact O-CB 3.5Å; L273-R276 PolarHBondContact O-N 3.25Å; L273-R276 VanDerWaalsContact O-N 3.1Å; L273-V277 WeakPolarHBondContact O-CG2 3.34Å; L273-V277 PolarHBondContact O-N 2.74Å
274R98.6Very high97.9Very high41 Ų4141.1 Ų41.116%0.15519%0.192CC..Hα-helixtrans-56-46.8175.2171.6-179.46166.812.3111.4G240 F242 D270 D271 D272 R276 V277 E278 I284G240-R274 WeakPolarHBondContact O-CD 3.35Å; G240-R274 PolarHBondContact O-NE 2.94Å; F242-R274 HydrophobicContact CB-CB 3.94Å; F242-R274 HydrophobicContact CD1-CB 4.12Å; F242-R274 HydrophobicContact CG-CB 4.3Å; D270-R274 PolarHBondContact O-N 3.44Å; D271-R274 PolarHBondContact O-N 2.9Å; D271-R274 IonicContact OD1-NH2 2.61Å; D272-R274 VanDerWaalsContact C-N 3.32Å; D272-R274 PolarHBondContact O-N 2.82Å; R274-R276 VanDerWaalsContact C-N 3.26Å; R274-R276 PolarHBondContact O-N 2.67Å; R274-V277 WeakPolarHBondContact O-CB 3.15Å; R274-V277 PolarHBondContact O-N 3.36Å; R274-E278 WeakPolarHBondContact CD-OE1 3.36Å; R274-E278 HydrophobicContact CG-CG 4.33Å; R274-E278 VanDerWaalsContact CG-OE1 3.25Å; R274-E278 WeakPolarHBondContact CG-OE1 3.4Å; R274-E278 IonicContact CZ-OE1 3.9Å; R274-E278 IonicContact NE-OE1 3.57Å; R274-E278 VanDerWaalsContact NH1-CD 3.27Å; R274-E278 IonicContact NH1-OE1 3.25Å; R274-E278 PolarHBondContact NH1-OE1 3.45Å; R274-E278 IonicContact NH1-OE2 2.67Å; R274-E278 PolarHBondContact NH1-OE2 3Å; R274-E278 WeakPolarHBondContact O-CG 3.22Å; R274-E278 PolarHBondContact O-N 3.07Å; R274-I284 HydrophobicContact CB-CD1 4.11Å; R274-I284 HydrophobicContact CG-CD1 3.63Å
275I98.8Very high97.9Very high26 Ų2642 Ų4213%0.13320%0.199CC..Hα-helixtrans-59.7-40.2178.5-69.4170.1000110.3D271 D272 L273 E278 L279 L315 T318 P319D271-I275 WeakPolarHBondContact O-CG1 3.45Å; D271-I275 PolarHBondContact O-N 3.39Å; D272-I275 WeakPolarHBondContact O-CB 3.3Å; D272-I275 PolarHBondContact O-N 3.03Å; D272-I275 VanDerWaalsContact O-N 3.08Å; L273-I275 VanDerWaalsContact C-N 3.31Å; L273-I275 PolarHBondContact O-N 3.27Å; I275-E278 PolarHBondContact O-N 3.44Å; I275-L279 HydrophobicContact CG2-CD1 3.79Å; I275-L279 HydrophobicContact CG2-CG 4.25Å; I275-L279 WeakPolarHBondContact O-CB 3.39Å; I275-L279 WeakPolarHBondContact O-CG 3.49Å; I275-L279 PolarHBondContact O-N 3.31Å; I275-L315 HydrophobicContact CD1-CD1 3.52Å; I275-L315 HydrophobicContact CD1-CG 4.07Å; I275-T318 HydrophobicContact CB-CG2 3.93Å; I275-T318 HydrophobicContact CG2-CG2 3.68Å; I275-P319 HydrophobicContact CG2-CG 4.1Å
276R98.8Very high98Very high0 Ų045.4 Ų45.40%021%0.21CC..Hα-helixtrans-62.9-43176.3-58.5177.9-174.4-136.5-10.8112.3V256 N257 G258 F259 S260 D272 L273 R274 L279 Q280 T318 W322 D325V256-R276 HydrophobicContact CB-CB 3.86Å; V256-R276 HydrophobicContact CG1-CB 4.23Å; V256-R276 WeakPolarHBondContact O-CD 3.27Å; N257-R276 PolarHBondContact O-NH1 3.16Å; G258-R276 VanDerWaalsContact O-CD 3.26Å; G258-R276 WeakPolarHBondContact O-CD 3.44Å; G258-R276 PolarHBondContact O-NH1 3.02Å; F259-R276 PolarHBondContact O-NH1 3.49Å; S260-R276 VanDerWaalsContact CB-NH2 3.31Å; D272-R276 WeakPolarHBondContact O-CG 3.08Å; D272-R276 PolarHBondContact O-N 3.48Å; D272-R276 IonicContact OD1-CZ 3.98Å; D272-R276 VanDerWaalsContact OD1-CZ 3.29Å; D272-R276 IonicContact OD1-NE 2.91Å; D272-R276 PolarHBondContact OD1-NE 3.06Å; D272-R276 IonicContact OD1-NH2 3.67Å; D272-R276 PolarHBondContact OD1-NH2 3.03Å; D272-R276 VanDerWaalsContact OD1-NH2 3.13Å; L273-R276 WeakPolarHBondContact O-CB 3.5Å; L273-R276 PolarHBondContact O-N 3.25Å; L273-R276 VanDerWaalsContact O-N 3.1Å; R274-R276 VanDerWaalsContact C-N 3.26Å; R274-R276 PolarHBondContact O-N 2.67Å; R276-L279 PolarHBondContact O-N 3.01Å; R276-Q280 WeakPolarHBondContact O-CG 3.02Å; R276-Q280 PolarHBondContact O-N 3.31Å; R276-T318 HydrophobicContact CG-CG2 4.11Å; R276-W322 HydrophobicContact CG-CB 3.81Å; R276-W322 HydrophobicContact CG-CG 4.33Å; R276-D325 VanDerWaalsContact CZ-O 3.28Å; R276-D325 PolarHBondContact NH1-O 2.94Å; R276-D325 PolarHBondContact NH2-O 2.85Å; R276-D325 IonicContact NH2-OD2 3.7Å
277V98.8Very high98.1Very high0 Ų041.9 Ų41.90%020%0.199CC..Hα-helixtrans-57.8-49.2174.7167.20000110.7P222 F242 M248 V256 L273 R274 L279 Q280 K281 M282 I284P222-V277 HydrophobicContact CB-CG1 4.29Å; P222-V277 HydrophobicContact CB-CG2 4.46Å; P222-V277 HydrophobicContact CG-CG1 3.94Å; P222-V277 HydrophobicContact CG-CG2 4.28Å; F242-V277 HydrophobicContact CE1-CG2 4.27Å; M248-V277 HydrophobicContact CE-CG2 3.89Å; M248-V277 HydrophobicContact SD-CG2 4.5Å; V256-V277 HydrophobicContact CG1-CG2 4.07Å; L273-V277 WeakPolarHBondContact O-CG2 3.34Å; L273-V277 PolarHBondContact O-N 2.74Å; R274-V277 WeakPolarHBondContact O-CB 3.15Å; R274-V277 PolarHBondContact O-N 3.36Å; V277-L279 PolarHBondContact O-N 3.47Å; V277-Q280 CarbonylContact O-C 3.48Å; V277-Q280 PolarHBondContact O-N 3.21Å; V277-Q280 VanDerWaalsContact O-N 3.1Å; V277-K281 PolarHBondContact O-N 2.79Å; V277-M282 HydrophobicContact CG1-CB 3.8Å; V277-M282 HydrophobicContact CG2-CE 4.48Å; V277-M282 PolarHBondContact O-N 3.17Å; V277-I284 HydrophobicContact CG1-CG1 3.98Å
278E98.6Very high98.2Very high96 Ų9645.1 Ų45.145%0.44922%0.219SC..Hα-helixtrans-62.1-40.6178.1-70.2168.8-176.600112R274 I275 Q280 K281R274-E278 WeakPolarHBondContact CD-OE1 3.36Å; R274-E278 HydrophobicContact CG-CG 4.33Å; R274-E278 VanDerWaalsContact CG-OE1 3.25Å; R274-E278 WeakPolarHBondContact CG-OE1 3.4Å; R274-E278 IonicContact CZ-OE1 3.9Å; R274-E278 IonicContact NE-OE1 3.57Å; R274-E278 VanDerWaalsContact NH1-CD 3.27Å; R274-E278 IonicContact NH1-OE1 3.25Å; R274-E278 PolarHBondContact NH1-OE1 3.45Å; R274-E278 IonicContact NH1-OE2 2.67Å; R274-E278 PolarHBondContact NH1-OE2 3Å; R274-E278 WeakPolarHBondContact O-CG 3.22Å; R274-E278 PolarHBondContact O-N 3.07Å; I275-E278 PolarHBondContact O-N 3.44Å; E278-Q280 PolarHBondContact O-N 3.15Å; E278-K281 PolarHBondContact O-N 3.44Å
279L98.5Very high98.2Very high71 Ų7148.7 Ų48.737%0.37224%0.241SC..Hα-helixtrans-64.6-26.7175.9-72.7168.8000112.9I275 R276 V277 P319 W322I275-L279 HydrophobicContact CG2-CD1 3.79Å; I275-L279 HydrophobicContact CG2-CG 4.25Å; I275-L279 WeakPolarHBondContact O-CB 3.39Å; I275-L279 WeakPolarHBondContact O-CG 3.49Å; I275-L279 PolarHBondContact O-N 3.31Å; R276-L279 PolarHBondContact O-N 3.01Å; V277-L279 PolarHBondContact O-N 3.47Å; L279-P319 HydrophobicContact CD1-CB 4.15Å; L279-W322 HydrophobicContact CD1-CG 4.44Å
280Q98.5Very high98.1Very high34 Ų3453.7 Ų53.716%0.15927%0.267CS..THydrogen-bonded Turntrans-86.711172.9-68.7-53-53.900113.7K255 V256 R276 V277 E278 M282 W322K255-Q280 HydrophobicContact CD-CB 4.48Å; K255-Q280 VanDerWaalsContact CE-OE1 3.24Å; K255-Q280 HydrophobicContact CG-CB 4.4Å; K255-Q280 HydrophobicContact CG-CG 4.03Å; V256-Q280 HydrophobicContact CG1-CB 4.25Å; V256-Q280 HydrophobicContact CG1-CG 3.83Å; R276-Q280 WeakPolarHBondContact O-CG 3.02Å; R276-Q280 PolarHBondContact O-N 3.31Å; V277-Q280 CarbonylContact O-C 3.48Å; V277-Q280 PolarHBondContact O-N 3.21Å; V277-Q280 VanDerWaalsContact O-N 3.1Å; E278-Q280 PolarHBondContact O-N 3.15Å; Q280-M282 HydrophobicContact CB-CE 3.83Å; Q280-M282 HydrophobicContact CB-CG 4.48Å; Q280-M282 PolarHBondContact O-N 3.39Å; Q280-W322 HydrophobicContact CG-CH2 4.44Å
281K98.3Very high98Very high191 Ų19154.9 Ų54.983%0.8327%0.273SS*.THydrogen-bonded Turntrans60.123.7178.3-54.7-83.1-174.4169.50112.8V277 E278V277-K281 PolarHBondContact O-N 2.79Å; E278-K281 PolarHBondContact O-N 3.44Å
282M98.6Very high98Very high20 Ų2053.7 Ų53.710%0.09927%0.267CS..  trans-93.4151.4174.4-68-173.7-64.700109.7P222 M248 Q252 V256 V277 Q280P222-M282 HydrophobicContact CG-CB 4.19Å; P222-M282 HydrophobicContact CG-CE 4.15Å; P222-M282 HydrophobicContact CG-SD 4Å; M248-M282 HydrophobicContact CE-CE 4.41Å; Q252-M282 HydrophobicContact CB-CE 4.47Å; Q252-M282 HydrophobicContact CB-SD 4.17Å; Q252-M282 HydrophobicContact CG-SD 3.81Å; V256-M282 HydrophobicContact CG1-CE 3.45Å; V256-M282 VanDerWaalsContact CG1-CE 3.45Å; V277-M282 HydrophobicContact CG1-CB 3.8Å; V277-M282 HydrophobicContact CG2-CE 4.48Å; V277-M282 PolarHBondContact O-N 3.17Å; Q280-M282 HydrophobicContact CB-CE 3.83Å; Q280-M282 HydrophobicContact CB-CG 4.48Å; Q280-M282 PolarHBondContact O-N 3.39Å
283E97.3Very high97.9Very high139 Ų13957.6 Ų57.665%0.6528%0.282SS*.  trans-108.8142.7-179.7-64.8-172.1171.700110.1Q221Q221-E283 WeakPolarHBondContact CB-O 3.19Å
284I98.3Very high97.9Very high32 Ų3257.6 Ų57.616%0.16428%0.282CS..  trans-87.6116.1176.4-67165.4000109.2P222 H224 F242 R274 V277P222-I284 WeakPolarHBondContact O-CA 3.3Å; H224-I284 HydrophobicContact CB-CG2 3.67Å; F242-I284 HydrophobicContact CB-CD1 4.28Å; F242-I284 HydrophobicContact CD1-CD1 4.12Å; F242-I284 HydrophobicContact CD2-CD1 3.57Å; F242-I284 HydrophobicContact CD2-CG1 4.06Å; F242-I284 HydrophobicContact CD2-CG2 3.76Å; F242-I284 HydrophobicContact CE1-CD1 4.34Å; F242-I284 HydrophobicContact CE2-CB 4.39Å; F242-I284 HydrophobicContact CE2-CD1 3.85Å; F242-I284 HydrophobicContact CE2-CG1 3.83Å; F242-I284 HydrophobicContact CE2-CG2 3.64Å; F242-I284 HydrophobicContact CG-CD1 3.74Å; F242-I284 HydrophobicContact CZ-CD1 4.23Å; F242-I284 HydrophobicContact CZ-CG1 4.17Å; R274-I284 HydrophobicContact CB-CD1 4.11Å; R274-I284 HydrophobicContact CG-CD1 3.63Å; V277-I284 HydrophobicContact CG1-CG1 3.98Å
285I97.9Very high97.9Very high51 Ų5156.7 Ų56.726%0.26228%0.281SS..BIsolated β-bridgetrans-91.7147.5173.663.2168.1000110.9D219 Q221 P222 K223 H224D219-I285 HydrophobicContact CB-CD1 3.65Å; Q221-I285 HydrophobicContact CB-CD1 4.37Å; Q221-I285 HydrophobicContact CB-CG1 4.25Å; Q221-I285 HydrophobicContact CB-CG2 3.8Å; Q221-I285 HydrophobicContact CG-CG2 4.37Å; P222-I285 PolarHBondContact O-N 3.35Å; K223-I285 WeakPolarHBondContact CA-O 3.41Å; K223-I285 HydrophobicContact CB-CD1 4.4Å; K223-I285 HydrophobicContact CB-CG1 4.04Å; K223-I285 HydrophobicContact CG-CD1 4.43Å; K223-I285 HydrophobicContact CG-CG1 4.16Å; H224-I285 PolarHBondContact N-O 3.43Å
286R97.9Very high97.8Very high81 Ų8157 Ų5731%0.30628%0.282SS..  trans-131.2134.6179.6-76175-172.790.4-3.7109.3H224 V227 K239 Y241H224-R286 HydrophobicContact CB-CG 3.83Å; H224-R286 PolarHBondContact ND1-NE 2.92Å; H224-R286 VanDerWaalsContact ND1-NE 3.12Å; V227-R286 HydrophobicContact CG2-CB 3.85Å; V227-R286 HydrophobicContact CG2-CG 4.12Å; K239-R286 PolarHBondContact O-NH2 2.96Å; Y241-R286 PolarHBondContact O-NH2 3.01Å
287P97.2Very high97.6Very high24 Ų2457.9 Ų57.916%0.15629%0.287CS..  trans-62.1165.2168.6-13.926.3000111.2N214 H224 L225 I291 A292N214-P287 WeakPolarHBondContact OD1-CG 3.35Å; H224-P287 VanDerWaalsContact O-CD 3.28Å; H224-P287 WeakPolarHBondContact O-CD 3.34Å; L225-P287 HydrophobicContact CD2-CG 4.39Å; P287-I291 HydrophobicContact CB-CG2 4.48Å; P287-A292 HydrophobicContact CB-CB 4.04Å; P287-A292 HydrophobicContact CG-CB 4.16Å
288P97.3Very high97Very high76 Ų7664.6 Ų64.649%0.49432%0.317SS..  trans-52138.8175.6-28.836.5000112.2L290 I291 A292P288-L290 PolarHBondContact O-N 2.76Å; P288-I291 HydrophobicContact CB-CB 4.49Å; P288-I291 HydrophobicContact CB-CD1 4.15Å; P288-I291 HydrophobicContact CB-CG1 4.34Å; P288-I291 HydrophobicContact CG-CD1 3.97Å; P288-I291 WeakPolarHBondContact O-CA 3.48Å; P288-I291 WeakPolarHBondContact O-CB 3.33Å; P288-I291 PolarHBondContact O-N 3.45Å; P288-A292 PolarHBondContact O-N 2.99Å
289P95.9Very high96.3Very high81 Ų8163.4 Ų63.453%0.52631%0.311SS..THydrogen-bonded Turntrans-57.5-24.9-175.6-27.533.5000115.7V227 R293V227-P289 HydrophobicContact CG1-CB 3.84Å; V227-P289 HydrophobicContact CG1-CG 4.08Å; P289-R293 WeakPolarHBondContact O-CG 3.04Å
290L96Very high95.4Very high122 Ų12269 Ų6964%0.63933%0.333SS*.THydrogen-bonded Turntrans-76.1-24.3175.7-65.3179.2000113.1P288 R293P288-L290 PolarHBondContact O-N 2.76Å; L290-R293 VanDerWaalsContact CD2-NH2 3.29Å
291I97.6Very high94.6Very high40 Ų4073.7 Ų73.721%0.20535%0.349CS..THydrogen-bonded Turntrans-91.2-42.1179.8-65.8175.8000109.9N211 N214 P287 P288 R293N211-I291 WeakPolarHBondContact CB-O 3.41Å; N214-I291 HydrophobicContact CB-CG2 3.73Å; N214-I291 VanDerWaalsContact N-CG2 3.25Å; P287-I291 HydrophobicContact CB-CG2 4.48Å; P288-I291 HydrophobicContact CB-CB 4.49Å; P288-I291 HydrophobicContact CB-CD1 4.15Å; P288-I291 HydrophobicContact CB-CG1 4.34Å; P288-I291 HydrophobicContact CG-CD1 3.97Å; P288-I291 WeakPolarHBondContact O-CA 3.48Å; P288-I291 WeakPolarHBondContact O-CB 3.33Å; P288-I291 PolarHBondContact O-N 3.45Å; I291-R293 PolarHBondContact O-N 3.21Å
292A97.3Very high93.7Very high0 Ų067.1 Ų67.10%032%0.323CS..SBendtrans-82.942.4-17700000113.8L225 V227 G228 P287 P288L225-A292 VanDerWaalsContact O-CB 3.25Å; L225-A292 WeakPolarHBondContact O-CB 3.43Å; V227-A292 HydrophobicContact CB-CB 3.63Å; V227-A292 HydrophobicContact CG2-CB 3.42Å; V227-A292 VanDerWaalsContact CG2-CB 3.42Å; V227-A292 PolarHBondContact N-O 2.5Å; G228-A292 PolarHBondContact N-O 2.97Å; P287-A292 HydrophobicContact CB-CB 4.04Å; P287-A292 HydrophobicContact CG-CB 4.16Å; P288-A292 PolarHBondContact O-N 2.99Å
293R97.9Very high92.9Very high84 Ų8471.7 Ų71.732%0.31736%0.356SS..EExtended strand (participates in β ladder)trans-95.2143.3176.1-67.8-174.1174.5175.3-3.6111.8E210 G228 Y234 P289 L290 I291E210-R293 HydrophobicContact CB-CB 4.2Å; E210-R293 PolarHBondContact N-O 3.39Å; E210-R293 WeakPolarHBondContact OE2-CB 3.45Å; G228-R293 WeakPolarHBondContact O-CA 3.47Å; Y234-R293 HydrophobicContact CD1-CB 3.93Å; Y234-R293 HydrophobicContact CD1-CG 3.8Å; Y234-R293 HydrophobicContact CE1-CB 4.24Å; Y234-R293 HydrophobicContact CE1-CG 4.5Å; Y234-R293 HydrophobicContact CG-CG 4.34Å; P289-R293 WeakPolarHBondContact O-CG 3.04Å; L290-R293 VanDerWaalsContact CD2-NH2 3.29Å; I291-R293 PolarHBondContact O-N 3.21Å
294Y98.4Very high92.1Very high0 Ų065.6 Ų65.60%033%0.331CS..EExtended strand (participates in β ladder)trans-134.3142.7-179.1-77.5-106.4000111.6L207 V208 P209 N214 Y216 L225 V226 G228 R229 N230 V245L207-Y294 HydrophobicContact CB-CD1 3.78Å; L207-Y294 HydrophobicContact CB-CE1 4.4Å; V208-Y294 VanDerWaalsContact C-CD1 3.48Å; V208-Y294 CarbonylContact O-C 3.57Å; V208-Y294 VanDerWaalsContact O-CA 3.29Å; V208-Y294 WeakPolarHBondContact O-CA 3.38Å; P209-Y294 HydrophobicContact CB-CD1 4.2Å; P209-Y294 HydrophobicContact CB-CE1 3.68Å; P209-Y294 HydrophobicContact CB-CE2 4.39Å; P209-Y294 HydrophobicContact CG-CE1 4.33Å; N214-Y294 VanDerWaalsContact ND2-CE2 3.34Å; N214-Y294 WeakPolarHBondContact ND2-CE2 3.47Å; N214-Y294 PolarHBondContact ND2-OH 3.29Å; Y216-Y294 VanDerWaalsContact CE2-OH 3.25Å; Y216-Y294 WeakPolarHBondContact CE2-OH 3.42Å; Y216-Y294 WeakPolarHBondContact OH-CE1 3.42Å; Y216-Y294 PolarHBondContact OH-OH 2.82Å; L225-Y294 WeakPolarHBondContact O-CE2 3.15Å; V226-Y294 HydrophobicContact CB-CD2 4.1Å; V226-Y294 HydrophobicContact CB-CE2 4.26Å; V226-Y294 HydrophobicContact CG1-CD2 3.93Å; V226-Y294 HydrophobicContact CG1-CG 4.19Å; V226-Y294 HydrophobicContact CG2-CD1 4.27Å; V226-Y294 HydrophobicContact CG2-CD2 3.83Å; V226-Y294 HydrophobicContact CG2-CE1 4.15Å; V226-Y294 HydrophobicContact CG2-CE2 3.75Å; V226-Y294 HydrophobicContact CG2-CG 4.12Å; G228-Y294 PolarHBondContact O-N 2.86Å; R229-Y294 CarbonylContact C-O 3.51Å; R229-Y294 WeakPolarHBondContact CA-O 3.21Å; R229-Y294 WeakPolarHBondContact CB-O 3.44Å; N230-Y294 PolarHBondContact N-O 2.93Å; N230-Y294 VanDerWaalsContact N-O 3.09Å; V245-Y294 HydrophobicContact CB-CE1 4.49Å; V245-Y294 HydrophobicContact CG2-CE1 3.8Å
295T98.1Very high91.7Very high23 Ų2365.4 Ų65.414%0.14133%0.33CS..EExtended strand (participates in β ladder)trans-91.1119.5163.5-74.20000108.5F102 V208 E210F102-T295 HydrophobicContact CE2-CG2 3.66Å; F102-T295 HydrophobicContact CZ-CG2 3.61Å; V208-T295 PolarHBondContact N-O 3.5Å; V208-T295 PolarHBondContact O-N 2.92Å; E210-T295 PolarHBondContact OE1-N 3.41Å; E210-T295 PolarHBondContact OE1-OG1 2.79Å
296M96.4Very high91.4Very high32 Ų3267.6 Ų67.616%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-82.3118.7167.6-172.4-177.4-176.500108.4D206 L207 R229 N230 A231 F298D206-M296 CarbonylContact O-C 3.36Å; D206-M296 VanDerWaalsContact O-CA 3.31Å; D206-M296 WeakPolarHBondContact O-CA 3.35Å; D206-M296 WeakPolarHBondContact OD2-CE 3.28Å; L207-M296 HydrophobicContact CD2-CB 3.9Å; L207-M296 HydrophobicContact CD2-CG 4.06Å; R229-M296 PolarHBondContact NH1-SD 3.28Å; R229-M296 VanDerWaalsContact NH1-SD 3.43Å; N230-M296 PolarHBondContact ND2-O 3.24Å; N230-M296 VanDerWaalsContact OD1-CB 3.3Å; N230-M296 WeakPolarHBondContact OD1-CB 3.05Å; N230-M296 PolarHBondContact OD1-N 3.21Å; A231-M296 HydrophobicContact CB-SD 4.16Å; M296-F298 PolarHBondContact O-N 2.9Å
297V94.3Very high91.3Very high18 Ų1867.3 Ų67.311%0.10934%0.343CS..  trans-71.3111.4170.9-177.90000107.5F102 H146 Y149 D206 V208F102-V297 HydrophobicContact CD1-CG2 3.82Å; F102-V297 HydrophobicContact CE1-CG2 3.45Å; F102-V297 VanDerWaalsContact CE1-CG2 3.45Å; F102-V297 HydrophobicContact CZ-CG2 4.16Å; H146-V297 PolarHBondContact NE2-O 3.31Å; Y149-V297 HydrophobicContact CD2-CG1 4.03Å; Y149-V297 HydrophobicContact CE2-CG1 4.39Å; D206-V297 PolarHBondContact O-N 3.38Å; V208-V297 HydrophobicContact CG2-CG2 4.3Å
298F86.3Confident91.2Very high141 Ų14167.1 Ų67.162%0.61834%0.341SS*.  trans-68.5141.3-169.1-72.8-75.7000112.9N230 A231 M296N230-F298 VanDerWaalsContact ND2-CE2 3.35Å; N230-F298 WeakPolarHBondContact ND2-CE2 3.44Å; A231-F298 HydrophobicContact CB-CE1 3.76Å; A231-F298 HydrophobicContact CB-CZ 4.05Å; M296-F298 PolarHBondContact O-N 2.9Å
299H84.2Confident91.1Very high72 Ų7272.7 Ų72.733%0.33336%0.357SS..  trans-148.9158.9176.164.285000111.7R143 D206R143-H299 VanDerWaalsContact CZ-CG 3.46Å; R143-H299 PolarHBondContact NH1-CD2 3.3Å; R143-H299 PolarHBondContact NH2-CE1 3.14Å; R143-H299 PolarHBondContact NH2-ND1 2.89Å; D206-H299 IonicContact OD2-CD2 2.8Å; D206-H299 IonicContact OD2-NE2 3.83Å; D206-H299 PolarHBondContact OD2-NE2 2.96Å
300K80.2Confident91Very high189 Ų18971.8 Ų71.882%0.82235%0.348SS*.PPolyproline II helixtrans-75.7159.2165.9-64.8-177.9-176.7175.40109.1D302K300-D302 PolarHBondContact O-N 3.33Å
301R80.6Confident91Very high131 Ų13168.9 Ų68.949%0.49433%0.329SS..PPolyproline II helixtrans-57.3134.3173.4-163.788.671.379.28.6109.6
302D79.8Confident91Very high54 Ų5473 Ų7329%0.28935%0.349SS..PPolyproline II helixtrans-76.5146.9176.3-56.7-42.6000111.7R143 K300 N305R143-D302 IonicContact CZ-OD1 3.08Å; R143-D302 IonicContact CZ-OD2 3.51Å; R143-D302 VanDerWaalsContact CZ-OD2 3.24Å; R143-D302 IonicContact NE-OD1 3.3Å; R143-D302 PolarHBondContact NE-OD1 3.22Å; R143-D302 IonicContact NE-OD2 3.41Å; R143-D302 PolarHBondContact NE-OD2 3.3Å; R143-D302 IonicContact NH2-OD1 2.75Å; R143-D302 PolarHBondContact NH2-OD1 3.07Å; R143-D302 IonicContact NH2-OD2 2.73Å; R143-D302 PolarHBondContact NH2-OD2 3.03Å; K300-D302 PolarHBondContact O-N 3.33Å; D302-N305 HydrophobicContact CB-CB 4.3Å; D302-N305 PolarHBondContact O-N 2.91Å
303S81Confident91Very high115 Ų11579.7 Ų79.780%0.80437%0.374SS*.THydrogen-bonded Turntrans-60.4136.4162.2-172.40000109.5N305S303-N305 VanDerWaalsContact C-N 3.28Å; S303-N305 PolarHBondContact O-N 3.07Å
304G81.3Confident90.9Very high11 Ų1177 Ų7711%0.11337%0.366CS..THydrogen-bonded Turntrans79.25.9-17600000114.3T177 F178 E306T177-G304 CarbonylContact C-O 3.58Å; T177-G304 WeakPolarHBondContact CA-O 3.31Å; T177-G304 WeakPolarHBondContact CG2-O 3.27Å; F178-G304 PolarHBondContact N-O 3.42Å; G304-E306 VanDerWaalsContact C-OE2 3.27Å; G304-E306 VanDerWaalsContact CA-OE2 3.25Å; G304-E306 WeakPolarHBondContact CA-OE2 3.47Å; G304-E306 PolarHBondContact N-OE1 3.43Å; G304-E306 PolarHBondContact N-OE2 2.82Å
305N89.6Confident90.9Very high28 Ų2878.2 Ų78.215%0.1537%0.372CS..  trans-128.242.8170.2-164.518.8000111.2F178 W266 D302 S303F178-N305 HydrophobicContact CB-CB 4.29Å; W266-N305 PolarHBondContact N-OD1 2.88Å; D302-N305 HydrophobicContact CB-CB 4.3Å; D302-N305 PolarHBondContact O-N 2.91Å; S303-N305 VanDerWaalsContact C-N 3.28Å; S303-N305 PolarHBondContact O-N 3.07Å
306E93Very high90.9Very high97 Ų9780.8 Ų80.845%0.45340%0.396SS..  trans-64.6165.9176.7-62.176-16500111.3W266 G304 N308W266-E306 PolarHBondContact N-O 3.27Å; G304-E306 VanDerWaalsContact C-OE2 3.27Å; G304-E306 VanDerWaalsContact CA-OE2 3.25Å; G304-E306 WeakPolarHBondContact CA-OE2 3.47Å; G304-E306 PolarHBondContact N-OE1 3.43Å; G304-E306 PolarHBondContact N-OE2 2.82Å; E306-N308 PolarHBondContact O-N 2.9Å; E306-N308 VanDerWaalsContact O-N 3.13Å
307I94.3Very high90.9Very high75 Ų7585.8 Ų85.839%0.38541%0.413SS..BIsolated β-bridgetrans-59.6122.6174.6-80.5152.6000108.8W266 K309 R311W266-I307 HydrophobicContact CE3-CG1 3.79Å; W266-I307 HydrophobicContact CZ3-CG1 4.24Å; I307-K309 PolarHBondContact O-N 3.31Å; I307-K309 VanDerWaalsContact O-N 3.11Å; I307-R311 VanDerWaalsContact CG2-NH1 3.3Å
308N94.8Very high91.1Very high20 Ų2085 Ų8511%0.10741%0.408CS..  trans-66.7111.2167.5-176.8-27000108.6W264 W266 E306 D310 R311W264-N308 WeakPolarHBondContact O-CB 3.35Å; W264-N308 VanDerWaalsContact O-CG 3.31Å; W264-N308 PolarHBondContact O-ND2 3.07Å; W266-N308 PolarHBondContact O-N 2.54Å; E306-N308 PolarHBondContact O-N 2.9Å; E306-N308 VanDerWaalsContact O-N 3.13Å; N308-D310 PolarHBondContact O-N 3.28Å; N308-D310 WeakPolarHBondContact OD1-CA 3.4Å; N308-D310 WeakPolarHBondContact OD1-CB 3.4Å; N308-D310 PolarHBondContact OD1-N 3.49Å; N308-R311 HydrophobicContact CB-CB 4.23Å; N308-R311 WeakPolarHBondContact O-CD 3.39Å; N308-R311 VanDerWaalsContact O-CG 3.27Å; N308-R311 WeakPolarHBondContact O-CG 3.47Å; N308-R311 PolarHBondContact O-N 3.41Å; N308-R311 PolarHBondContact OD1-N 2.87Å
309K95.1Very high91.7Very high194 Ų19481.3 Ų81.384%0.84340%0.398SS*.THydrogen-bonded Turntrans-67.1-24.1-178.3-65.4-180-177.6173.50112.4I307I307-K309 PolarHBondContact O-N 3.31Å; I307-K309 VanDerWaalsContact O-N 3.11Å
310D95.1Very high92.3Very high62 Ų6286.3 Ų86.333%0.33242%0.419SS..THydrogen-bonded Turntrans-93.3-3.8-177.8-69.9-36.4000113.7N308 M312 R313 L314N308-D310 PolarHBondContact O-N 3.28Å; N308-D310 WeakPolarHBondContact OD1-CA 3.4Å; N308-D310 WeakPolarHBondContact OD1-CB 3.4Å; N308-D310 PolarHBondContact OD1-N 3.49Å; D310-M312 PolarHBondContact O-N 3.19Å; D310-R313 VanDerWaalsContact CG-NH1 3.3Å; D310-R313 CarbonylContact O-C 3.58Å; D310-R313 WeakPolarHBondContact O-CA 3.39Å; D310-R313 WeakPolarHBondContact O-CB 3.42Å; D310-R313 PolarHBondContact O-N 3.26Å; D310-R313 IonicContact OD1-CZ 2.68Å; D310-R313 IonicContact OD1-NE 3.41Å; D310-R313 IonicContact OD1-NH1 3.87Å; D310-R313 PolarHBondContact OD1-NH1 2.77Å; D310-R313 IonicContact OD1-NH2 2.9Å; D310-R313 PolarHBondContact OD1-NH2 3.33Å; D310-R313 IonicContact OD2-CZ 3.13Å; D310-R313 IonicContact OD2-NH1 3.29Å; D310-R313 IonicContact OD2-NH2 3.65Å; D310-R313 PolarHBondContact OD2-NH2 2.75Å; D310-L314 HydrophobicContact CB-CG 4.42Å; D310-L314 WeakPolarHBondContact O-CG 3.38Å; D310-L314 PolarHBondContact O-N 2.61Å
311R95.6Very high93.2Very high61 Ų6179 Ų7923%0.2339%0.39CS..Hα-helixtrans-51.2-38-174.869-173.1178.4-151.8-2.8114.6Y263 W266 G267 I307 N308 L314 L315Y263-R311 HydrophobicContact CE1-CB 4.29Å; W266-R311 PolarHBondContact O-NH1 3Å; G267-R311 WeakPolarHBondContact O-CB 3.36Å; I307-R311 VanDerWaalsContact CG2-NH1 3.3Å; N308-R311 HydrophobicContact CB-CB 4.23Å; N308-R311 WeakPolarHBondContact O-CD 3.39Å; N308-R311 VanDerWaalsContact O-CG 3.27Å; N308-R311 WeakPolarHBondContact O-CG 3.47Å; N308-R311 PolarHBondContact O-N 3.41Å; N308-R311 PolarHBondContact OD1-N 2.87Å; R311-L314 PolarHBondContact O-N 3.05Å; R311-L315 VanDerWaalsContact O-CB 3.22Å; R311-L315 WeakPolarHBondContact O-CB 3.29Å; R311-L315 PolarHBondContact O-N 3.12Å
312M97.3Very high94Very high127 Ų12773.4 Ų73.463%0.62637%0.369SS*.Hα-helixtrans-72.2-36.4179.5-60.8-52.6-60.400111.5D310 A316D310-M312 PolarHBondContact O-N 3.19Å; M312-A316 WeakPolarHBondContact O-CB 3.48Å; M312-A316 PolarHBondContact O-N 3.45Å
313R97.1Very high94.9Very high139 Ų13978.4 Ų78.453%0.52538%0.384SS..Hα-helixtrans-68.1-41.7174.8-176-174.272.2-155.28.3110.9D310 R317D310-R313 VanDerWaalsContact CG-NH1 3.3Å; D310-R313 CarbonylContact O-C 3.58Å; D310-R313 WeakPolarHBondContact O-CA 3.39Å; D310-R313 WeakPolarHBondContact O-CB 3.42Å; D310-R313 PolarHBondContact O-N 3.26Å; D310-R313 IonicContact OD1-CZ 2.68Å; D310-R313 IonicContact OD1-NE 3.41Å; D310-R313 IonicContact OD1-NH1 3.87Å; D310-R313 PolarHBondContact OD1-NH1 2.77Å; D310-R313 IonicContact OD1-NH2 2.9Å; D310-R313 PolarHBondContact OD1-NH2 3.33Å; D310-R313 IonicContact OD2-CZ 3.13Å; D310-R313 IonicContact OD2-NH1 3.29Å; D310-R313 IonicContact OD2-NH2 3.65Å; D310-R313 PolarHBondContact OD2-NH2 2.75Å; R313-R317 WeakPolarHBondContact O-CG 3.27Å; R313-R317 PolarHBondContact O-N 3.33Å
314L97.1Very high95.7Very high28 Ų2881 Ų8115%0.14738%0.38CS..Hα-helixtrans-61.6-50.7174.6-66.1175.3000110.5Y263 D310 R311 A316 R317 T318Y263-L314 HydrophobicContact CD1-CD1 4.11Å; Y263-L314 HydrophobicContact CD2-CD1 4.33Å; Y263-L314 HydrophobicContact CE1-CB 3.98Å; Y263-L314 HydrophobicContact CE1-CD1 4.13Å; Y263-L314 HydrophobicContact CE2-CB 4.03Å; Y263-L314 HydrophobicContact CE2-CD1 4.35Å; Y263-L314 HydrophobicContact CG-CD1 4.23Å; Y263-L314 WeakPolarHBondContact OH-CB 3.44Å; D310-L314 HydrophobicContact CB-CG 4.42Å; D310-L314 WeakPolarHBondContact O-CG 3.38Å; D310-L314 PolarHBondContact O-N 2.61Å; R311-L314 PolarHBondContact O-N 3.05Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.62Å; L314-R317 WeakPolarHBondContact O-CA 3.39Å; L314-R317 WeakPolarHBondContact O-CB 3.43Å; L314-R317 PolarHBondContact O-N 2.94Å; L314-T318 PolarHBondContact O-N 3.31Å
315L97.8Very high96.5Very high25 Ų2581.3 Ų81.313%0.13138%0.38CS..Hα-helixtrans-60.5-39.5-178.2-173.166.1000112.7Y263 D271 D272 I275 R311 R317 T318Y263-L315 VanDerWaalsContact OH-CA 3.27Å; Y263-L315 WeakPolarHBondContact OH-CA 3.22Å; Y263-L315 PolarHBondContact OH-N 3.48Å; Y263-L315 VanDerWaalsContact OH-N 3.07Å; D271-L315 HydrophobicContact CB-CD1 3.59Å; D271-L315 HydrophobicContact CB-CD2 3.96Å; D271-L315 HydrophobicContact CB-CG 4.46Å; D272-L315 HydrophobicContact CB-CD1 4.22Å; I275-L315 HydrophobicContact CD1-CD1 3.52Å; I275-L315 HydrophobicContact CD1-CG 4.07Å; R311-L315 VanDerWaalsContact O-CB 3.22Å; R311-L315 WeakPolarHBondContact O-CB 3.29Å; R311-L315 PolarHBondContact O-N 3.12Å; L315-R317 PolarHBondContact O-N 2.99Å; L315-T318 WeakPolarHBondContact CA-OG1 3.27Å; L315-T318 PolarHBondContact O-N 3.34Å; L315-T318 PolarHBondContact O-OG1 2.82Å
316A97.8Very high96.9Very high78 Ų7880 Ų8065%0.64537%0.373SS*.Hα-helixtrans-64.2-21.9176.100000113.1M312 L314M312-A316 WeakPolarHBondContact O-CB 3.48Å; M312-A316 PolarHBondContact O-N 3.45Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.62Å
317R97.4Very high97.2Very high137 Ų13776.4 Ų76.452%0.51736%0.357SS..Hα-helixtrans-92.7-15.1-179.9-68.4178.366.7-178.20.1113.2R313 L314 L315 P319 K320 V321R313-R317 WeakPolarHBondContact O-CG 3.27Å; R313-R317 PolarHBondContact O-N 3.33Å; L314-R317 WeakPolarHBondContact O-CA 3.39Å; L314-R317 WeakPolarHBondContact O-CB 3.43Å; L314-R317 PolarHBondContact O-N 2.94Å; L315-R317 PolarHBondContact O-N 2.99Å; R317-P319 VanDerWaalsContact C-CD 3.44Å; R317-P319 VanDerWaalsContact C-N 3.34Å; R317-P319 VanDerWaalsContact O-N 3.14Å; R317-K320 WeakPolarHBondContact O-CA 3.14Å; R317-K320 WeakPolarHBondContact O-CB 3.31Å; R317-K320 PolarHBondContact O-N 2.9Å; R317-V321 HydrophobicContact CB-CG1 4.35Å; R317-V321 HydrophobicContact CB-CG2 4.36Å; R317-V321 WeakPolarHBondContact O-CG2 3.37Å; R317-V321 PolarHBondContact O-N 3.07Å
318T98.3Very high97.4Very high0 Ų077.4 Ų77.40%036%0.363CS..Hα-helixtrans-43.2-50.1-175.8-51.50000113.4D272 I275 R276 L314 L315 K320 V321 W322D272-T318 HydrophobicContact CB-CG2 4.34Å; D272-T318 VanDerWaalsContact CG-CG2 3.46Å; D272-T318 VanDerWaalsContact OD2-CB 3.27Å; D272-T318 WeakPolarHBondContact OD2-CB 3.49Å; D272-T318 WeakPolarHBondContact OD2-CG2 3.44Å; D272-T318 PolarHBondContact OD2-OG1 2.85Å; I275-T318 HydrophobicContact CB-CG2 3.93Å; I275-T318 HydrophobicContact CG2-CG2 3.68Å; R276-T318 HydrophobicContact CG-CG2 4.11Å; L314-T318 PolarHBondContact O-N 3.31Å; L315-T318 WeakPolarHBondContact CA-OG1 3.27Å; L315-T318 PolarHBondContact O-N 3.34Å; L315-T318 PolarHBondContact O-OG1 2.82Å; T318-K320 PolarHBondContact O-N 3.46Å; T318-V321 PolarHBondContact O-N 2.82Å; T318-V321 VanDerWaalsContact O-N 3.14Å; T318-W322 HydrophobicContact CG2-CB 4.41Å; T318-W322 WeakPolarHBondContact O-CB 3.4Å; T318-W322 PolarHBondContact O-N 2.7Å
319P98.3Very high97.6Very high64 Ų6479.7 Ų79.742%0.41638%0.378SS..Hα-helixtrans-60.8-24.1-178.1-23.235.3000114.7I275 L279 R317I275-P319 HydrophobicContact CG2-CG 4.1Å; L279-P319 HydrophobicContact CD1-CB 4.15Å; R317-P319 VanDerWaalsContact C-CD 3.44Å; R317-P319 VanDerWaalsContact C-N 3.34Å; R317-P319 VanDerWaalsContact O-N 3.14Å
320K97.9Very high97.7Very high178 Ų17871.1 Ų71.177%0.77434%0.342SS*.Hα-helixtrans-91.1-28.7-179.1-58.5-179.5-178.5178.80112.9R317 T318R317-K320 WeakPolarHBondContact O-CA 3.14Å; R317-K320 WeakPolarHBondContact O-CB 3.31Å; R317-K320 PolarHBondContact O-N 2.9Å; T318-K320 PolarHBondContact O-N 3.46Å
321V97.4Very high97.8Very high36 Ų3672.5 Ų72.522%0.21836%0.356CS..Hα-helixtrans-113.7-16.3-167.2-580000114.8R317 T318 R323 K324 D325R317-V321 HydrophobicContact CB-CG1 4.35Å; R317-V321 HydrophobicContact CB-CG2 4.36Å; R317-V321 WeakPolarHBondContact O-CG2 3.37Å; R317-V321 PolarHBondContact O-N 3.07Å; T318-V321 PolarHBondContact O-N 2.82Å; T318-V321 VanDerWaalsContact O-N 3.14Å; V321-R323 PolarHBondContact O-N 2.88Å; V321-K324 CarbonylContact O-C 3.59Å; V321-K324 WeakPolarHBondContact O-CA 3.31Å; V321-K324 PolarHBondContact O-N 3.05Å; V321-D325 PolarHBondContact O-N 2.83Å; V321-D325 VanDerWaalsContact O-N 3.15Å
322W98Very high98Very high13 Ų1371.9 Ų71.95%0.04935%0.354CS..THydrogen-bonded Turntrans-56.7-30-170.974.4-91.9000114.9N257 R276 L279 Q280 T318 K324 D325N257-W322 HydrophobicContact CB-CE3 4.09Å; N257-W322 HydrophobicContact CB-CZ3 4.1Å; N257-W322 PolarHBondContact ND2-O 2.92Å; R276-W322 HydrophobicContact CG-CB 3.81Å; R276-W322 HydrophobicContact CG-CG 4.33Å; L279-W322 HydrophobicContact CD1-CG 4.44Å; Q280-W322 HydrophobicContact CG-CH2 4.44Å; T318-W322 HydrophobicContact CG2-CB 4.41Å; T318-W322 WeakPolarHBondContact O-CB 3.4Å; T318-W322 PolarHBondContact O-N 2.7Å; W322-K324 VanDerWaalsContact C-N 3.28Å; W322-K324 PolarHBondContact O-N 3.2Å; W322-D325 VanDerWaalsContact O-O 3.12Å
323R98.3Very high98Very high158 Ų15869.1 Ų69.160%0.59635%0.348SS*.THydrogen-bonded Turntrans-73.5-17.4175.4-64.7-173.3177.687.5-5.7114V321 N328V321-R323 PolarHBondContact O-N 2.88Å; R323-N328 PolarHBondContact O-ND2 2.88Å
324K98Very high98.1Very high169 Ų16965.2 Ų65.274%0.73534%0.339SS*.THydrogen-bonded Turntrans-109.2-4.5-176.7-59.3-176.7178.6-175.10112.6V321 W322 T329V321-K324 CarbonylContact O-C 3.59Å; V321-K324 WeakPolarHBondContact O-CA 3.31Å; V321-K324 PolarHBondContact O-N 3.05Å; W322-K324 VanDerWaalsContact C-N 3.28Å; W322-K324 PolarHBondContact O-N 3.2Å; K324-T329 WeakPolarHBondContact O-CG2 3.44Å
325D98.2Very high98.2Very high19 Ų1968.8 Ų68.810%0.10236%0.358CS..SBendtrans-141.2106.6-179.5170.337.3000110S260 N261 R276 V321 W322 T329S260-D325 WeakPolarHBondContact CA-OD2 3.27Å; S260-D325 VanDerWaalsContact CB-OD2 3.28Å; S260-D325 WeakPolarHBondContact CB-OD2 3.05Å; S260-D325 PolarHBondContact OG-OD2 2.77Å; N261-D325 WeakPolarHBondContact CB-OD1 3.44Å; N261-D325 PolarHBondContact N-OD1 3.36Å; R276-D325 VanDerWaalsContact CZ-O 3.28Å; R276-D325 PolarHBondContact NH1-O 2.94Å; R276-D325 PolarHBondContact NH2-O 2.85Å; R276-D325 IonicContact NH2-OD2 3.7Å; V321-D325 PolarHBondContact O-N 2.83Å; V321-D325 VanDerWaalsContact O-N 3.15Å; W322-D325 VanDerWaalsContact O-O 3.12Å; D325-T329 WeakPolarHBondContact CA-OG1 3.23Å
326G98.7Very high98.2Very high0 Ų069.3 Ų69.30%036%0.363CS..SBendtrans168-138.8176.300000112.7N257 F259 N261 N328 T329 C330N257-G326 PolarHBondContact ND2-N 3.41Å; N257-G326 CarbonylContact O-C 3.55Å; N257-G326 WeakPolarHBondContact O-CA 3.33Å; F259-G326 WeakPolarHBondContact O-CA 3.22Å; N261-G326 PolarHBondContact ND2-O 2.91Å; G326-N328 PolarHBondContact O-N 2.69Å; G326-T329 PolarHBondContact N-OG1 3.11Å; G326-T329 VanDerWaalsContact N-OG1 3.17Å; G326-T329 CarbonylContact O-C 3.49Å; G326-T329 PolarHBondContact O-N 3.35Å; G326-T329 PolarHBondContact O-OG1 3.13Å; G326-C330 PolarHBondContact O-N 3.24Å
327L98.8Very high98.3Very high22 Ų2268.7 Ų68.712%0.11535%0.352CS..G310 helixtrans-51.4-43.7179.7-72.6175.7000112.5N185 Y188 L189 F253 N257 T329 C330N185-L327 HydrophobicContact CB-CD2 4.1Å; Y188-L327 HydrophobicContact CD1-CD1 4.19Å; Y188-L327 HydrophobicContact CD1-CD2 3.79Å; Y188-L327 HydrophobicContact CE1-CD1 3.86Å; Y188-L327 HydrophobicContact CE1-CD2 4.27Å; L189-L327 HydrophobicContact CD1-CD2 4.43Å; L189-L327 HydrophobicContact CD2-CD2 4.24Å; L189-L327 HydrophobicContact CG-CD2 4.17Å; F253-L327 HydrophobicContact CD1-CD1 4.02Å; F253-L327 HydrophobicContact CE1-CD1 4.13Å; F253-L327 HydrophobicContact CE1-CD2 3.93Å; F253-L327 HydrophobicContact CE1-CG 4.29Å; N257-L327 PolarHBondContact O-N 3.5Å; N257-L327 PolarHBondContact OD1-N 2.82Å; L327-T329 PolarHBondContact O-N 2.77Å; L327-T329 VanDerWaalsContact O-N 3.13Å; L327-C330 PolarHBondContact O-N 2.84Å
328N98.4Very high98.3Very high96 Ų9667.1 Ų67.151%0.51335%0.35SS..G310 helixtrans-65.3-13.2-179.666.5-13.3000115.4N257 R323 G326N257-N328 PolarHBondContact ND2-OD1 2.68Å; N257-N328 PolarHBondContact OD1-N 2.86Å; N257-N328 VanDerWaalsContact OD1-N 3.09Å; N257-N328 PolarHBondContact OD1-OD1 2.89Å; R323-N328 PolarHBondContact O-ND2 2.88Å; G326-N328 PolarHBondContact O-N 2.69Å
329T98.3Very high98.3Very high68 Ų6871.4 Ų71.442%0.41737%0.367SS..G310 helixtrans-128.114178.859.20000112.7N261 K324 D325 G326 L327 S331N261-T329 PolarHBondContact ND2-OG1 3.33Å; K324-T329 WeakPolarHBondContact O-CG2 3.44Å; D325-T329 WeakPolarHBondContact CA-OG1 3.23Å; G326-T329 PolarHBondContact N-OG1 3.11Å; G326-T329 VanDerWaalsContact N-OG1 3.17Å; G326-T329 CarbonylContact O-C 3.49Å; G326-T329 PolarHBondContact O-N 3.35Å; G326-T329 PolarHBondContact O-OG1 3.13Å; L327-T329 PolarHBondContact O-N 2.77Å; L327-T329 VanDerWaalsContact O-N 3.13Å; T329-S331 PolarHBondContact O-N 2.85Å
330C98.3Very high98.3Very high14 Ų1470 Ų7010%0.09536%0.357CS..  trans-75.485.2-179.3-172.50000110.7N185 L189 N261 G326 L327 Y332N185-C330 HydrophobicContact CB-CB 4.33Å; L189-C330 HydrophobicContact CD1-CB 4.1Å; N261-C330 PolarHBondContact ND2-N 3.48Å; G326-C330 PolarHBondContact O-N 3.24Å; L327-C330 PolarHBondContact O-N 2.84Å; C330-Y332 WeakPolarHBondContact O-CD1 3.4Å
331S98Very high98.2Very high91 Ų9164.2 Ų64.264%0.63634%0.338SS*.  trans-86.4129.8175.1-173.40000111.6K182 T329K182-S331 WeakPolarHBondContact CE-O 3.42Å; K182-S331 PolarHBondContact NZ-O 3.19Å; T329-S331 PolarHBondContact O-N 2.85Å
332Y98.6Very high98.3Very high48 Ų4862.6 Ų62.619%0.18833%0.328CS..  trans-160.9166.8178.167-79.2000110.3V186 L189 E190 C330 V348 D349V186-Y332 HydrophobicContact CG1-CD2 3.8Å; V186-Y332 HydrophobicContact CG1-CE2 3.7Å; V186-Y332 HydrophobicContact CG1-CG 4.28Å; V186-Y332 HydrophobicContact CG2-CD1 3.68Å; V186-Y332 HydrophobicContact CG2-CD2 4Å; V186-Y332 HydrophobicContact CG2-CE1 4.12Å; V186-Y332 HydrophobicContact CG2-CE2 4.41Å; V186-Y332 HydrophobicContact CG2-CG 3.61Å; L189-Y332 HydrophobicContact CD1-CE1 3.82Å; E190-Y332 HydrophobicContact CG-CE2 4.35Å; E190-Y332 WeakPolarHBondContact OE1-CE2 3.42Å; E190-Y332 VanDerWaalsContact OE1-CZ 3.29Å; E190-Y332 PolarHBondContact OE1-OH 2.9Å; C330-Y332 WeakPolarHBondContact O-CD1 3.4Å; Y332-V348 HydrophobicContact CD2-CB 4.44Å; Y332-V348 HydrophobicContact CD2-CG1 4.2Å; Y332-D349 CarbonylContact C-O 3.51Å; Y332-D349 VanDerWaalsContact CA-O 3.27Å; Y332-D349 WeakPolarHBondContact CA-O 3.37Å; Y332-D349 WeakPolarHBondContact CB-O 3.33Å
333S98.6Very high98.3Very high69 Ų6964 Ų6448%0.48333%0.333SS..EExtended strand (participates in β ladder)trans-121.2125.6172-61.70000109.8L335 V348 D349S333-L335 PolarHBondContact O-N 3.36Å; S333-V348 WeakPolarHBondContact O-CA 3.25Å; S333-D349 PolarHBondContact N-O 3.35Å; S333-D349 PolarHBondContact O-N 3.3Å
334T98.6Very high98.3Very high56 Ų5656.4 Ų56.434%0.34431%0.305SS..EExtended strand (participates in β ladder)trans-76.8118.8170.5-50.50000109.4E190 V337 V346E190-T334 PolarHBondContact OE1-OG1 3.5Å; T334-V337 HydrophobicContact CG2-CG2 3.7Å; T334-V346 HydrophobicContact CG2-CG1 4.22Å
335L98.7Very high98.4Very high103 Ų10349.5 Ų49.554%0.53928%0.276SS..EExtended strand (participates in β ladder)trans-91.3-42.1179.9-55.1-176.1000111.5A173 S333 T347 D349A173-L335 HydrophobicContact CB-CD1 3.59Å; S333-L335 PolarHBondContact O-N 3.36Å; L335-T347 HydrophobicContact CB-CG2 4.24Å; L335-T347 HydrophobicContact CD1-CG2 4.27Å; L335-T347 PolarHBondContact N-O 3.31Å; L335-D349 HydrophobicContact CD1-CB 4.26Å; L335-D349 HydrophobicContact CD2-CB 4.3Å; L335-D349 HydrophobicContact CG-CB 4.38Å
336S98.7Very high98.4Very high36 Ų3648.7 Ų48.725%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-152.7154.2174.469.50000112T347S336-T347 PolarHBondContact N-O 3.31Å; S336-T347 PolarHBondContact O-N 3.49Å; S336-T347 WeakPolarHBondContact OG-CB 3.49Å; S336-T347 PolarHBondContact OG-OG1 3.39Å
337V98.6Very high98.4Very high66 Ų6649.7 Ų49.740%0.428%0.278SS..EExtended strand (participates in β ladder)trans-129.8113.8168.3-178.40000107.7T334 I344 N345 V346T334-V337 HydrophobicContact CG2-CG2 3.7Å; V337-I344 HydrophobicContact CG1-CG2 3.93Å; V337-N345 CarbonylContact C-O 3.54Å; V337-N345 WeakPolarHBondContact CA-O 3.36Å; V337-V346 HydrophobicContact CG2-CG1 4.37Å
338E98.5Very high98.4Very high104 Ų10448.7 Ų48.749%0.48627%0.273SS..EExtended strand (participates in β ladder)trans-116143.5-180-62.6166.9-168.100109.3P340 I344 N345E338-P340 VanDerWaalsContact O-CD 3.3Å; E338-P340 WeakPolarHBondContact O-CD 3.43Å; E338-I344 CarbonylContact O-C 3.57Å; E338-I344 WeakPolarHBondContact O-CA 3.38Å; E338-N345 HydrophobicContact CB-CB 4.26Å; E338-N345 PolarHBondContact N-O 3.49Å; E338-N345 PolarHBondContact O-N 3.13Å
339R98.2Very high98.4Very high90 Ų9047.5 Ų47.534%0.3427%0.266SS..  trans-120.765.9-176.9-60.1-174.1-175.9-88.4-4.4111.8E120 D194 I344E120-R339 HydrophobicContact CB-CB 4.07Å; E120-R339 HydrophobicContact CG-CB 4.42Å; D194-R339 IonicContact OD1-CZ 3.05Å; D194-R339 IonicContact OD1-NH2 3.32Å; D194-R339 PolarHBondContact OD1-NH2 2.84Å; D194-R339 IonicContact OD2-CZ 3.24Å; D194-R339 IonicContact OD2-NH1 3.28Å; D194-R339 PolarHBondContact OD2-NH1 2.94Å; D194-R339 IonicContact OD2-NH2 2.61Å; D194-R339 PolarHBondContact OD2-NH2 2.83Å; R339-I344 HydrophobicContact CG-CG1 4.33Å; R339-I344 HydrophobicContact CG-CG2 4.34Å
340P96.9Very high98.4Very high34 Ų3444.3 Ų44.322%0.22125%0.247CC..  trans-59.8166.1169.626.4-33000111.2E120 G121 E338 L342 Y343E120-P340 CarbonylContact C-O 3.59Å; G121-P340 PolarHBondContact N-O 2.65Å; E338-P340 VanDerWaalsContact O-CD 3.3Å; E338-P340 WeakPolarHBondContact O-CD 3.43Å; P340-L342 VanDerWaalsContact C-N 3.28Å; P340-L342 PolarHBondContact O-N 3.29Å; P340-L342 VanDerWaalsContact O-N 3.16Å; P340-Y343 WeakPolarHBondContact CD-O 3.43Å; P340-Y343 HydrophobicContact CG-CD1 4.28Å; P340-Y343 HydrophobicContact CG-CD2 4.14Å; P340-Y343 HydrophobicContact CG-CE1 4.06Å; P340-Y343 HydrophobicContact CG-CE2 3.95Å; P340-Y343 HydrophobicContact CG-CG 4.31Å; P340-Y343 WeakPolarHBondContact CG-O 3.33Å
341P97.1Very high98.3Very high57 Ų5745.2 Ų45.237%0.3726%0.258SS..THydrogen-bonded Turntrans-55.5-39.2-172.2-28.535.8000114.7E112 V118 A119 E120 G121E112-P341 HydrophobicContact CG-CB 4.23Å; E112-P341 HydrophobicContact CG-CG 4.45Å; V118-P341 WeakPolarHBondContact CG1-O 3.42Å; A119-P341 CarbonylContact C-O 3.57Å; E120-P341 PolarHBondContact N-O 2.88Å; G121-P341 PolarHBondContact N-O 3.15Å
342L98.6Very high98.1Very high1 Ų147.7 Ų47.71%0.00526%0.26CS..THydrogen-bonded Turntrans-94.3-19.2-169.8-66.6174.6000115L108 V111 E112 N115 L151 H155 P340L108-L342 HydrophobicContact CD1-CD1 3.67Å; L108-L342 HydrophobicContact CG-CD1 4.23Å; V111-L342 HydrophobicContact CB-CD1 3.89Å; V111-L342 HydrophobicContact CG1-CD1 3.59Å; V111-L342 HydrophobicContact CG1-CD2 4.31Å; E112-L342 HydrophobicContact CB-CD1 4.46Å; E112-L342 HydrophobicContact CG-CD1 3.58Å; E112-L342 HydrophobicContact CG-CD2 4.37Å; E112-L342 HydrophobicContact CG-CG 3.71Å; N115-L342 HydrophobicContact CB-CD2 4.1Å; L151-L342 HydrophobicContact CD1-CB 4.33Å; H155-L342 PolarHBondContact CE1-O 3.01Å; H155-L342 PolarHBondContact NE2-O 3.38Å; P340-L342 VanDerWaalsContact C-N 3.28Å; P340-L342 PolarHBondContact O-N 3.29Å; P340-L342 VanDerWaalsContact O-N 3.16Å
343Y98.8Very high97.6Very high42 Ų4247 Ų4717%0.16526%0.261CS..  trans-159.3164.8-178.660.3-83.2000111.4G121 L147 L151 I167 V169 P340 N345G121-Y343 VanDerWaalsContact CA-CA 3.45Å; G121-Y343 VanDerWaalsContact CA-N 3.35Å; L147-Y343 HydrophobicContact CD2-CE2 4.46Å; L151-Y343 HydrophobicContact CD1-CD1 3.6Å; L151-Y343 HydrophobicContact CD1-CE1 3.91Å; L151-Y343 HydrophobicContact CD2-CD1 4.44Å; I167-Y343 CarbonylContact O-C 3.33Å; I167-Y343 WeakPolarHBondContact O-CA 3.06Å; V169-Y343 HydrophobicContact CB-CD2 3.81Å; V169-Y343 HydrophobicContact CB-CE2 4.23Å; V169-Y343 HydrophobicContact CG2-CD2 3.46Å; V169-Y343 VanDerWaalsContact CG2-CD2 3.46Å; V169-Y343 HydrophobicContact CG2-CE2 4.1Å; V169-Y343 HydrophobicContact CG2-CG 3.86Å; P340-Y343 WeakPolarHBondContact CD-O 3.43Å; P340-Y343 HydrophobicContact CG-CD1 4.28Å; P340-Y343 HydrophobicContact CG-CD2 4.14Å; P340-Y343 HydrophobicContact CG-CE1 4.06Å; P340-Y343 HydrophobicContact CG-CE2 3.95Å; P340-Y343 HydrophobicContact CG-CG 4.31Å; P340-Y343 WeakPolarHBondContact CG-O 3.33Å; Y343-N345 HydrophobicContact CD2-CB 4.16Å; Y343-N345 HydrophobicContact CE2-CB 3.82Å
344I98.8Very high96.5Very high0 Ų052.5 Ų52.50%028%0.281CS..EExtended strand (participates in β ladder)trans-99.4117.1170.6-58.5159.8000107E120 I167 Y168 V169 V337 E338 R339 V346E120-I344 WeakPolarHBondContact O-CG1 3.47Å; I167-I344 PolarHBondContact O-N 3.32Å; Y168-I344 WeakPolarHBondContact CA-O 3.33Å; Y168-I344 HydrophobicContact CD1-CB 3.94Å; Y168-I344 HydrophobicContact CD1-CD1 4.05Å; Y168-I344 HydrophobicContact CD1-CG2 3.97Å; Y168-I344 HydrophobicContact CE1-CB 4.14Å; Y168-I344 HydrophobicContact CE1-CD1 3.47Å; Y168-I344 VanDerWaalsContact CE1-CD1 3.47Å; Y168-I344 HydrophobicContact CE1-CG1 4.42Å; Y168-I344 HydrophobicContact CE1-CG2 4.04Å; Y168-I344 HydrophobicContact CE2-CD1 4.24Å; V169-I344 PolarHBondContact N-O 3.26Å; V337-I344 HydrophobicContact CG1-CG2 3.93Å; E338-I344 CarbonylContact O-C 3.57Å; E338-I344 WeakPolarHBondContact O-CA 3.38Å; R339-I344 HydrophobicContact CG-CG1 4.33Å; R339-I344 HydrophobicContact CG-CG2 4.34Å; I344-V346 HydrophobicContact CG2-CG2 4.18Å
345N98.8Very high94.5Very high23 Ų2361.7 Ų61.712%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-91.4117.5176.5-170.640.6000109.7V337 E338 Y343V337-N345 CarbonylContact C-O 3.54Å; V337-N345 WeakPolarHBondContact CA-O 3.36Å; E338-N345 HydrophobicContact CB-CB 4.26Å; E338-N345 PolarHBondContact N-O 3.49Å; E338-N345 PolarHBondContact O-N 3.13Å; Y343-N345 HydrophobicContact CD2-CB 4.16Å; Y343-N345 HydrophobicContact CE2-CB 3.82Å
346V98.9Very high94.3Very high2 Ų259.7 Ų59.71%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-111.1105.5175.8-175.30000108Y168 V169 I170 H171 E190 T334 V337 I344 V348Y168-V346 HydrophobicContact CD1-CG2 4.29Å; V169-V346 PolarHBondContact O-N 3.44Å; I170-V346 CarbonylContact C-O 3.6Å; H171-V346 PolarHBondContact N-O 3.39Å; E190-V346 HydrophobicContact CB-CG1 4.43Å; E190-V346 HydrophobicContact CG-CG1 3.8Å; T334-V346 HydrophobicContact CG2-CG1 4.22Å; V337-V346 HydrophobicContact CG2-CG1 4.37Å; I344-V346 HydrophobicContact CG2-CG2 4.18Å; V346-V348 HydrophobicContact CG1-CG1 3.63Å
347T98.9Very high94Very high22 Ų2260.9 Ų60.914%0.13531%0.312CS..EExtended strand (participates in β ladder)trans-90.6124.1177.1-59.90000110H171 A173 L335 S336H171-T347 WeakPolarHBondContact O-CA 3.46Å; A173-T347 HydrophobicContact CB-CG2 4.07Å; L335-T347 HydrophobicContact CB-CG2 4.24Å; L335-T347 HydrophobicContact CD1-CG2 4.27Å; L335-T347 PolarHBondContact N-O 3.31Å; S336-T347 PolarHBondContact N-O 3.31Å; S336-T347 PolarHBondContact O-N 3.49Å; S336-T347 WeakPolarHBondContact OG-CB 3.49Å; S336-T347 PolarHBondContact OG-OG1 3.39Å
348V98.8Very high93.8Very high0 Ų060.6 Ų60.60%031%0.307CS..EExtended strand (participates in β ladder)trans-133.5144.3-172.9-610000112.9I170 H171 A173 L183 V186 Y332 S333 V346 I350I170-V348 HydrophobicContact CG2-CG2 3.96Å; H171-V348 PolarHBondContact O-N 2.73Å; A173-V348 WeakPolarHBondContact CB-O 3.2Å; A173-V348 PolarHBondContact N-O 2.75Å; L183-V348 HydrophobicContact CD2-CG2 3.79Å; V186-V348 HydrophobicContact CG1-CB 4.36Å; V186-V348 HydrophobicContact CG1-CG1 3.76Å; V186-V348 HydrophobicContact CG1-CG2 4.14Å; Y332-V348 HydrophobicContact CD2-CB 4.44Å; Y332-V348 HydrophobicContact CD2-CG1 4.2Å; S333-V348 WeakPolarHBondContact O-CA 3.25Å; V346-V348 HydrophobicContact CG1-CG1 3.63Å; V348-I350 HydrophobicContact CB-CG2 4.48Å; V348-I350 HydrophobicContact CG2-CG2 3.81Å
349D98.4Very high93.5Very high71 Ų7158.1 Ų58.138%0.3830%0.297SS..EExtended strand (participates in β ladder)trans-95121.1162.3-179.4-1000108.7Y332 S333 L335 G351Y332-D349 CarbonylContact C-O 3.51Å; Y332-D349 VanDerWaalsContact CA-O 3.27Å; Y332-D349 WeakPolarHBondContact CA-O 3.37Å; Y332-D349 WeakPolarHBondContact CB-O 3.33Å; S333-D349 PolarHBondContact N-O 3.35Å; S333-D349 PolarHBondContact O-N 3.3Å; L335-D349 HydrophobicContact CD1-CB 4.26Å; L335-D349 HydrophobicContact CD2-CB 4.3Å; L335-D349 HydrophobicContact CG-CB 4.38Å; D349-G351 PolarHBondContact OD1-N 3.04Å
350I97.9Very high93.2Very high2 Ų256.1 Ų56.11%0.0129%0.294CS..  trans-106.812-178.761.5166.6000112.6Q172 N179 K182 L183 V186 W264 V348Q172-I350 VanDerWaalsContact CD-CD1 3.46Å; Q172-I350 HydrophobicContact CG-CD1 3.95Å; Q172-I350 HydrophobicContact CG-CG1 4.03Å; N179-I350 HydrophobicContact CB-CD1 3.69Å; K182-I350 HydrophobicContact CD-CB 4.04Å; K182-I350 HydrophobicContact CD-CD1 4.38Å; K182-I350 HydrophobicContact CG-CB 4.47Å; K182-I350 PolarHBondContact NZ-O 2.89Å; L183-I350 HydrophobicContact CD2-CD1 4.24Å; L183-I350 HydrophobicContact CD2-CG2 4Å; L183-I350 HydrophobicContact CG-CD1 4.37Å; V186-I350 HydrophobicContact CG2-CG2 4.23Å; W264-I350 HydrophobicContact CH2-CD1 3.82Å; W264-I350 HydrophobicContact CH2-CG1 3.89Å; W264-I350 HydrophobicContact CZ3-CD1 3.86Å; W264-I350 HydrophobicContact CZ3-CG1 4.22Å; V348-I350 HydrophobicContact CB-CG2 4.48Å; V348-I350 HydrophobicContact CG2-CG2 3.81Å
351G96.2Very high92.9Very high32 Ų3257.5 Ų57.533%0.3330%0.299SS..  trans69.2-156.3-176.200000113.1W264 D349W264-G351 WeakPolarHBondContact CH2-O 3.39Å; D349-G351 PolarHBondContact OD1-N 3.04Å
352E93.8Very high92.7Very high143 Ų14357.6 Ų57.667%0.66829%0.294SS*.  trans-124.4159.7-171.6-63.6-174.317600112V176 M354V176-E352 HydrophobicContact CG1-CG 3.83Å; E352-M354 PolarHBondContact O-N 3.37Å
353P88.1Confident92.2Very high33 Ų3361.9 Ų61.921%0.21432%0.316CS..  trans-58126.2169.8-14.725.2000110.9W264 H355W264-P353 HydrophobicContact CB-CB 4.29Å; W264-P353 HydrophobicContact CB-CG 3.99Å; W264-P353 HydrophobicContact CD2-CB 4.08Å; W264-P353 HydrophobicContact CD2-CG 3.62Å; W264-P353 HydrophobicContact CE3-CG 3.89Å; W264-P353 HydrophobicContact CG-CB 3.8Å; W264-P353 HydrophobicContact CG-CG 3.65Å; P353-H355 PolarHBondContact O-N 3.05Å
354M75.3Confident91.6Very high186 Ų18663.6 Ų63.692%0.91633%0.328SS*.  trans-72.5117.5170.6-68.8-173.6-81.400109E352E352-M354 PolarHBondContact O-N 3.37Å
355H55.9Low91Very high249 Ų24969.4 Ų69.4100%1.15336%0.358SS*.  trans-77.60-179.8-74.1-55.9000113.8P353P353-H355 PolarHBondContact O-N 3.05Å

Retrieved 355 of 355 residues in 845.5 ms (Link to these results)

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