A0A077Z7P9_TRITR Loading...

Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase

Initiates complex N-linked carbohydrate formation. Essential for the conversion of high-mannose to hybrid and complex N-glycans.

AlphaFold DB , UniProt , Accession A0A077Z7P9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low50Low237 Ų237156.1 Ų156.1100%1.16777%0.765SS**  093.50-119.9176.1176.100107.9V3M1-V3 PolarHBondContact O-N 3.26Å
2H37.4Very low51.6Low194 Ų194144.8 Ų144.890%0.89872%0.719SS**  trans-82.698.7174.3-85.9-59.4000108.5K4H2-K4 PolarHBondContact O-N 3.49Å
3V39.7Very low53.2Low122 Ų122140.3 Ų140.374%0.73970%0.695SS**  trans-68.599.7171.1-1800000107M1 V5M1-V3 PolarHBondContact O-N 3.26Å; V3-V5 PolarHBondContact O-N 3.48Å
4K39.8Very low53.8Low196 Ų196135.1 Ų135.185%0.85267%0.67SS**  trans-64104.2165.9-80.8-175.7175.2-179.30106.8H2 R6H2-K4 PolarHBondContact O-N 3.49Å; K4-R6 PolarHBondContact O-N 3.23Å
5V43.6Very low54.8Low127 Ų127134.7 Ų134.777%0.7766%0.663SS**  trans-59.5104168.7-1790000106.2V3 E7V3-V5 PolarHBondContact O-N 3.48Å; V5-E7 PolarHBondContact O-N 3.48Å
6R43.7Very low55.8Low238 Ų238135.5 Ų135.590%0.89866%0.657SS**  trans-68.3111168.6-81.5-178.1172.9-175.7-2106K4 D8K4-R6 PolarHBondContact O-N 3.23Å; R6-D8 PolarHBondContact O-N 3.44Å
7E52.4Low56.7Low172 Ų172132.1 Ų132.180%0.80464%0.642SS**  trans-56.5123.9169.2-73-175.616000108.6V5 P9V5-E7 PolarHBondContact O-N 3.48Å; E7-P9 WeakPolarHBondContact O-CD 3.42Å
8D65.3Low57.2Low82 Ų82128.1 Ų128.144%0.43962%0.624SS.*  trans-60.4119.6176.4177.7-8.7000109.1R6 E10 M11 G12R6-D8 PolarHBondContact O-N 3.44Å; D8-E10 PolarHBondContact O-N 3.36Å; D8-E10 WeakPolarHBondContact OD1-CB 3.39Å; D8-E10 PolarHBondContact OD1-N 2.8Å; D8-M11 HydrophobicContact CB-CB 4.05Å; D8-M11 HydrophobicContact CB-CG 4.19Å; D8-M11 PolarHBondContact O-N 3.03Å; D8-G12 PolarHBondContact O-N 3.17Å
9P67.5Low57.7Low105 Ų105130.8 Ų130.868%0.68263%0.627SS**Hα-helixtrans-54.8-32.8179.1-23.532.3000113.3E7 G12 Q13E7-P9 WeakPolarHBondContact O-CD 3.42Å; P9-G12 PolarHBondContact O-N 2.94Å; P9-Q13 WeakPolarHBondContact O-CB 3.49Å; P9-Q13 PolarHBondContact O-N 2.72Å
10E63Low58.5Low159 Ų159130.9 Ų130.974%0.74362%0.624SS**Hα-helixtrans-70.1-40.8177.9-66.3-165.8168.800111.3D8 Q13 L14D8-E10 PolarHBondContact O-N 3.36Å; D8-E10 WeakPolarHBondContact OD1-CB 3.39Å; D8-E10 PolarHBondContact OD1-N 2.8Å; E10-Q13 PolarHBondContact O-N 3.38Å; E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3Å
11M58.4Low58.7Low85 Ų85128.8 Ų128.842%0.41962%0.616SS.*Hα-helixtrans-65.1-42.4173.5-81.2-65.6-74.300111.8D8 Q13 L14 F15D8-M11 HydrophobicContact CB-CB 4.05Å; D8-M11 HydrophobicContact CB-CG 4.19Å; D8-M11 PolarHBondContact O-N 3.03Å; M11-Q13 VanDerWaalsContact C-N 3.3Å; M11-Q13 PolarHBondContact O-N 3.28Å; M11-L14 WeakPolarHBondContact O-CB 3.41Å; M11-L14 PolarHBondContact O-N 2.63Å; M11-L14 HydrophobicContact SD-CD2 3.82Å; M11-F15 HydrophobicContact CE-CD2 4.37Å; M11-F15 HydrophobicContact CE-CE2 3.5Å; M11-F15 VanDerWaalsContact CE-CE2 3.5Å; M11-F15 HydrophobicContact CE-CZ 3.95Å; M11-F15 WeakPolarHBondContact O-CD2 3.49Å; M11-F15 PolarHBondContact O-N 3.01Å
12G69.2Low60.1Low21 Ų21122.9 Ų122.922%0.21659%0.585CS.*Hα-helixtrans-59.5-40.8174.400000112.4D8 P9 R16D8-G12 PolarHBondContact O-N 3.17Å; P9-G12 PolarHBondContact O-N 2.94Å; G12-R16 WeakPolarHBondContact O-CG 3.39Å; G12-R16 PolarHBondContact O-N 3.13Å
13Q72.9Confident61.6Low86 Ų86117.7 Ų117.740%0.40256%0.564SS.*Hα-helixtrans-68.6-38.7174.7-170.460.232.800112.2P9 E10 M11 R16 N17P9-Q13 WeakPolarHBondContact O-CB 3.49Å; P9-Q13 PolarHBondContact O-N 2.72Å; E10-Q13 PolarHBondContact O-N 3.38Å; M11-Q13 VanDerWaalsContact C-N 3.3Å; M11-Q13 PolarHBondContact O-N 3.28Å; Q13-R16 PolarHBondContact O-N 2.93Å; Q13-N17 PolarHBondContact NE2-OD1 3.27Å; Q13-N17 VanDerWaalsContact NE2-OD1 3.09Å; Q13-N17 WeakPolarHBondContact O-CB 3.45Å; Q13-N17 PolarHBondContact O-N 3.48Å; Q13-N17 PolarHBondContact O-ND2 3.03Å; Q13-N17 PolarHBondContact O-OD1 3.23Å
14L61Low63.3Low67 Ų67115.2 Ų115.235%0.35155%0.547SS..Hα-helixtrans-60.2-46176.1-171.669.1000111.5E10 M11 N17 I18E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3Å; M11-L14 WeakPolarHBondContact O-CB 3.41Å; M11-L14 PolarHBondContact O-N 2.63Å; M11-L14 HydrophobicContact SD-CD2 3.82Å; L14-N17 PolarHBondContact O-N 3.21Å; L14-I18 HydrophobicContact CG-CD1 4.12Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.32Å
15F68.2Low64.9Low130 Ų130110.6 Ų110.657%0.5753%0.531SS*.Hα-helixtrans-64.3-42.8177.4-80.6-66.4000112.4M11 N17 I18 R19M11-F15 HydrophobicContact CE-CD2 4.37Å; M11-F15 HydrophobicContact CE-CE2 3.5Å; M11-F15 VanDerWaalsContact CE-CE2 3.5Å; M11-F15 HydrophobicContact CE-CZ 3.95Å; M11-F15 WeakPolarHBondContact O-CD2 3.49Å; M11-F15 PolarHBondContact O-N 3.01Å; F15-N17 VanDerWaalsContact C-N 3.32Å; F15-N17 PolarHBondContact O-N 3.21Å; F15-I18 PolarHBondContact O-N 3.26Å; F15-R19 WeakPolarHBondContact O-CB 3.37Å; F15-R19 PolarHBondContact O-N 2.94Å
16R70.7Confident66.2Low147 Ų147110.6 Ų110.656%0.55552%0.522SS*.Hα-helixtrans-59.7-42.8174.3-74.4-172.4-67.8-94.52.9111.9G12 Q13 R19 K20G12-R16 WeakPolarHBondContact O-CG 3.39Å; G12-R16 PolarHBondContact O-N 3.13Å; Q13-R16 PolarHBondContact O-N 2.93Å; R16-R19 PolarHBondContact O-N 2.84Å; R16-K20 WeakPolarHBondContact O-CB 3.41Å; R16-K20 PolarHBondContact O-N 3.21Å
17N71.6Confident67.8Low77 Ų77104.9 Ų104.941%0.41251%0.506SS..Hα-helixtrans-66.6-39.9177.7-69.4-11.8000112Q13 L14 F15 L21Q13-N17 PolarHBondContact NE2-OD1 3.27Å; Q13-N17 VanDerWaalsContact NE2-OD1 3.09Å; Q13-N17 WeakPolarHBondContact O-CB 3.45Å; Q13-N17 PolarHBondContact O-N 3.48Å; Q13-N17 PolarHBondContact O-ND2 3.03Å; Q13-N17 PolarHBondContact O-OD1 3.23Å; L14-N17 PolarHBondContact O-N 3.21Å; F15-N17 VanDerWaalsContact C-N 3.32Å; F15-N17 PolarHBondContact O-N 3.21Å; N17-L21 WeakPolarHBondContact O-CB 3.3Å; N17-L21 WeakPolarHBondContact O-CD1 3.23Å; N17-L21 WeakPolarHBondContact O-CG 3.46Å; N17-L21 PolarHBondContact O-N 2.99Å
18I65.8Low68.7Low60 Ų60103.3 Ų103.331%0.30850%0.498SS..Hα-helixtrans-63.7-44.1175.7-71.3167.4000110.8L14 F15 L21 Q22L14-I18 HydrophobicContact CG-CD1 4.12Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.32Å; F15-I18 PolarHBondContact O-N 3.26Å; I18-L21 PolarHBondContact O-N 3.07Å; I18-Q22 PolarHBondContact O-N 2.94Å
19R66.4Low69.1Low181 Ų181104.5 Ų104.568%0.68351%0.505SS*.Hα-helixtrans-63.3-48.7179.9-157.6176.5-146165.15.3111.3F15 R16 L21 Q22 D23F15-R19 WeakPolarHBondContact O-CB 3.37Å; F15-R19 PolarHBondContact O-N 2.94Å; R16-R19 PolarHBondContact O-N 2.84Å; R19-L21 VanDerWaalsContact C-N 3.25Å; R19-L21 PolarHBondContact O-N 3.17Å; R19-Q22 WeakPolarHBondContact O-CB 3.35Å; R19-Q22 PolarHBondContact O-N 3.31Å; R19-D23 PolarHBondContact O-N 3.14Å
20K73.3Confident69.4Low132 Ų132105.7 Ų105.757%0.57450%0.501SS*.Hα-helixtrans-56.5-40.1174.7-172.4175.8-179.91770112.3R16 D23 D24R16-K20 WeakPolarHBondContact O-CB 3.41Å; R16-K20 PolarHBondContact O-N 3.21Å; K20-D23 PolarHBondContact O-N 2.84Å; K20-D24 PolarHBondContact O-N 3.01Å
21L62.7Low70.1Confident87 Ų87103.6 Ų103.646%0.45549%0.491SS..Hα-helixtrans-69.4-35.7176.8-74.7167.1000113.1N17 I18 R19 D23 I25N17-L21 WeakPolarHBondContact O-CB 3.3Å; N17-L21 WeakPolarHBondContact O-CD1 3.23Å; N17-L21 WeakPolarHBondContact O-CG 3.46Å; N17-L21 PolarHBondContact O-N 2.99Å; I18-L21 PolarHBondContact O-N 3.07Å; R19-L21 VanDerWaalsContact C-N 3.25Å; R19-L21 PolarHBondContact O-N 3.17Å; L21-D23 VanDerWaalsContact C-N 3.31Å; L21-I25 WeakPolarHBondContact O-CB 3.07Å; L21-I25 WeakPolarHBondContact O-CD1 3.47Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.11Å; L21-I25 PolarHBondContact O-N 2.93Å
22Q70Confident70.7Confident112 Ų112101.2 Ų101.252%0.52349%0.488SS..Hα-helixtrans-63.4-41.7172.2-77.4-179.8-41.500110.7I18 R19 I25 Q26I18-Q22 PolarHBondContact O-N 2.94Å; R19-Q22 WeakPolarHBondContact O-CB 3.35Å; R19-Q22 PolarHBondContact O-N 3.31Å; Q22-I25 PolarHBondContact O-N 2.86Å; Q22-Q26 WeakPolarHBondContact O-CB 3.46Å; Q22-Q26 VanDerWaalsContact O-CG 3.25Å; Q22-Q26 WeakPolarHBondContact O-CG 3.31Å; Q22-Q26 PolarHBondContact O-N 3.19Å
23D69.5Low71.1Confident86 Ų86103.7 Ų103.746%0.4650%0.502SS..Hα-helixtrans-63.6-47176.7-57.6-26000110.7R19 K20 L21 I25 Q26 E27R19-D23 PolarHBondContact O-N 3.14Å; K20-D23 PolarHBondContact O-N 2.84Å; L21-D23 VanDerWaalsContact C-N 3.31Å; D23-I25 PolarHBondContact O-N 2.03Å; D23-Q26 PolarHBondContact O-N 2.65Å; D23-E27 WeakPolarHBondContact O-CB 3.48Å; D23-E27 PolarHBondContact O-N 3.13Å
24D74.2Confident71.5Confident69 Ų69107.3 Ų107.337%0.36951%0.512SS..Hα-helixtrans-61-41177.4-67.1-13.1000111.9K20 E27 Q28K20-D24 PolarHBondContact O-N 3.01Å; D24-E27 PolarHBondContact O-N 2.75Å; D24-Q28 WeakPolarHBondContact O-CG 3.37Å; D24-Q28 PolarHBondContact O-N 3.35Å
25I72.8Confident72.3Confident100 Ų100109.1 Ų109.151%0.51352%0.522SS..Hα-helixtrans-67.8-41.1177-71167.4000110.8L21 Q22 D23 E27 Q28 N29L21-I25 WeakPolarHBondContact O-CB 3.07Å; L21-I25 WeakPolarHBondContact O-CD1 3.47Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.11Å; L21-I25 PolarHBondContact O-N 2.93Å; Q22-I25 PolarHBondContact O-N 2.86Å; D23-I25 PolarHBondContact O-N 2.03Å; I25-E27 VanDerWaalsContact C-N 3.32Å; I25-Q28 PolarHBondContact O-N 3.25Å; I25-N29 WeakPolarHBondContact O-CB 3.34Å; I25-N29 PolarHBondContact O-N 2.74Å; I25-N29 PolarHBondContact O-ND2 3.38Å
26Q72.4Confident72.5Confident127 Ų127107.2 Ų107.259%0.59352%0.517SS*.Hα-helixtrans-64-40.4175.7-76.3177.71.200111Q22 D23 N29 H30Q22-Q26 WeakPolarHBondContact O-CB 3.46Å; Q22-Q26 VanDerWaalsContact O-CG 3.25Å; Q22-Q26 WeakPolarHBondContact O-CG 3.31Å; Q22-Q26 PolarHBondContact O-N 3.19Å; D23-Q26 PolarHBondContact O-N 2.65Å; Q26-N29 PolarHBondContact O-N 3.28Å; Q26-H30 VanDerWaalsContact O-CB 3.25Å; Q26-H30 WeakPolarHBondContact O-CB 3.41Å; Q26-H30 PolarHBondContact O-N 2.6Å
27E76.1Confident73Confident118 Ų118106.7 Ų106.755%0.55152%0.516SS*.Hα-helixtrans-63.4-46.9175.3-170.9171.9-157.300111.4D23 D24 I25 N29 H30 E31D23-E27 WeakPolarHBondContact O-CB 3.48Å; D23-E27 PolarHBondContact O-N 3.13Å; D24-E27 PolarHBondContact O-N 2.75Å; I25-E27 VanDerWaalsContact C-N 3.32Å; E27-N29 PolarHBondContact O-N 2.75Å; E27-H30 CarbonylContact O-C 3.58Å; E27-H30 WeakPolarHBondContact O-CA 3.4Å; E27-H30 WeakPolarHBondContact O-CB 3.36Å; E27-H30 PolarHBondContact O-N 3.09Å; E27-H30 VanDerWaalsContact O-N 3.14Å; E27-E31 PolarHBondContact O-N 3.47Å
28Q71.5Confident73.4Confident139 Ų139107.1 Ų107.165%0.6552%0.518SS*.Hα-helixtrans-64.8-39.2176.6-70.3-141.1-35.200113.2D24 I25 H30 E31 G32D24-Q28 WeakPolarHBondContact O-CG 3.37Å; D24-Q28 PolarHBondContact O-N 3.35Å; I25-Q28 PolarHBondContact O-N 3.25Å; Q28-H30 VanDerWaalsContact C-N 3.29Å; Q28-H30 PolarHBondContact O-N 3.11Å; Q28-E31 PolarHBondContact O-N 3.5Å; Q28-G32 PolarHBondContact O-N 3.16Å
29N74.2Confident73.9Confident107 Ų107108.4 Ų108.457%0.57253%0.525SS*.Hα-helixtrans-65.3-36.7173.8-77.6-21.3000111.2I25 Q26 E27 S33I25-N29 WeakPolarHBondContact O-CB 3.34Å; I25-N29 PolarHBondContact O-N 2.74Å; I25-N29 PolarHBondContact O-ND2 3.38Å; Q26-N29 PolarHBondContact O-N 3.28Å; E27-N29 PolarHBondContact O-N 2.75Å; N29-S33 WeakPolarHBondContact O-CB 3.47Å; N29-S33 PolarHBondContact O-N 2.95Å; N29-S33 PolarHBondContact O-OG 3.13Å
30H74.5Confident74.5Confident130 Ų130105 Ų10560%0.60252%0.516SS*.Hα-helixtrans-67.1-44.5174.9-170.776.9000111.8Q26 E27 Q28 S33 R34Q26-H30 VanDerWaalsContact O-CB 3.25Å; Q26-H30 WeakPolarHBondContact O-CB 3.41Å; Q26-H30 PolarHBondContact O-N 2.6Å; E27-H30 CarbonylContact O-C 3.58Å; E27-H30 WeakPolarHBondContact O-CA 3.4Å; E27-H30 WeakPolarHBondContact O-CB 3.36Å; E27-H30 PolarHBondContact O-N 3.09Å; E27-H30 VanDerWaalsContact O-N 3.14Å; Q28-H30 VanDerWaalsContact C-N 3.29Å; Q28-H30 PolarHBondContact O-N 3.11Å; H30-S33 PolarHBondContact O-N 2.99Å; H30-R34 WeakPolarHBondContact O-CB 3.49Å; H30-R34 PolarHBondContact O-N 3.23Å
31E76.9Confident74.8Confident115 Ų115101.5 Ų101.554%0.53750%0.502SS..Hα-helixtrans-61.8-43.2173.7-75.1-165.9150.500111.9E27 Q28 S33 R34 L35E27-E31 PolarHBondContact O-N 3.47Å; Q28-E31 PolarHBondContact O-N 3.5Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-S33 PolarHBondContact O-N 3.46Å; E31-R34 PolarHBondContact O-N 3.12Å; E31-L35 WeakPolarHBondContact O-CB 3.46Å; E31-L35 PolarHBondContact O-N 3.46Å
32G71.6Confident75.4Confident34 Ų34103.3 Ų103.335%0.35151%0.51SS..Hα-helixtrans-60-43174.900000112.2Q28 L35 L36Q28-G32 PolarHBondContact O-N 3.16Å; G32-L35 PolarHBondContact O-N 3.36Å; G32-L36 WeakPolarHBondContact O-CB 3.2Å; G32-L36 WeakPolarHBondContact O-CG 3.33Å; G32-L36 PolarHBondContact O-N 2.94Å
33S76.9Confident75.7Confident73 Ų73105.3 Ų105.351%0.5152%0.517SS..Hα-helixtrans-68.1-38.8177.2-57.20000111.9N29 H30 E31 L36 Y37N29-S33 WeakPolarHBondContact O-CB 3.47Å; N29-S33 PolarHBondContact O-N 2.95Å; N29-S33 PolarHBondContact O-OG 3.13Å; H30-S33 PolarHBondContact O-N 2.99Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-S33 PolarHBondContact O-N 3.46Å; S33-L36 PolarHBondContact O-N 2.9Å; S33-Y37 PolarHBondContact O-N 2.96Å
34R82.1Confident75.9Confident162 Ų162108.9 Ų108.961%0.61152%0.524SS*.Hα-helixtrans-66-41174.8-175.6178.9169.5-171.3-3111.5H30 E31 Y37 L38H30-R34 WeakPolarHBondContact O-CB 3.49Å; H30-R34 PolarHBondContact O-N 3.23Å; E31-R34 PolarHBondContact O-N 3.12Å; R34-Y37 PolarHBondContact O-N 2.68Å; R34-L38 HydrophobicContact CG-CD1 4.41Å; R34-L38 WeakPolarHBondContact O-CG 3.35Å; R34-L38 PolarHBondContact O-N 3.2Å
35L76.3Confident75.6Confident106 Ų106110 Ų11056%0.55553%0.533SS*.Hα-helixtrans-65.3-41.6176.2-172.266.2000111.1E31 G32 L38 L39E31-L35 WeakPolarHBondContact O-CB 3.46Å; E31-L35 PolarHBondContact O-N 3.46Å; G32-L35 PolarHBondContact O-N 3.36Å; L35-L38 PolarHBondContact O-N 2.98Å; L35-L39 HydrophobicContact CG-CD1 4.38Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.4Å; L35-L39 PolarHBondContact O-N 3.49Å
36L73.6Confident75Confident90 Ų90108.7 Ų108.747%0.47153%0.533SS..Hα-helixtrans-58.9-45.9172.1-83.9160.3000111.8G32 S33 L39 E40G32-L36 WeakPolarHBondContact O-CB 3.2Å; G32-L36 WeakPolarHBondContact O-CG 3.33Å; G32-L36 PolarHBondContact O-N 2.94Å; S33-L36 PolarHBondContact O-N 2.9Å; L36-L39 PolarHBondContact O-N 3.2Å; L36-E40 PolarHBondContact O-N 3.06Å
37Y80.6Confident74.1Confident135 Ų135105.8 Ų105.853%0.52953%0.531SS..Hα-helixtrans-61.1-45.2175.9179.6-101.3000112S33 R34 L39 E40 Q41S33-Y37 PolarHBondContact O-N 2.96Å; R34-Y37 PolarHBondContact O-N 2.68Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; Y37-L39 PolarHBondContact O-N 2.81Å; Y37-E40 PolarHBondContact O-N 3.44Å; Y37-Q41 HydrophobicContact CD1-CG 4.24Å; Y37-Q41 HydrophobicContact CE1-CG 3.86Å; Y37-Q41 HydrophobicContact CE2-CG 4.44Å; Y37-Q41 VanDerWaalsContact CZ-NE2 3.32Å; Y37-Q41 WeakPolarHBondContact O-CG 3.26Å; Y37-Q41 PolarHBondContact O-N 3.36Å; Y37-Q41 PolarHBondContact OH-NE2 3.27Å
38L81Confident72.7Confident86 Ų86104.6 Ų104.645%0.4554%0.535SS..Hα-helixtrans-61.2-40.7175.8-72.4169.8000111.9R34 L35 Q41 M42R34-L38 HydrophobicContact CG-CD1 4.41Å; R34-L38 WeakPolarHBondContact O-CG 3.35Å; R34-L38 PolarHBondContact O-N 3.2Å; L35-L38 PolarHBondContact O-N 2.98Å; L38-Q41 PolarHBondContact O-N 2.85Å; L38-M42 WeakPolarHBondContact O-CG 3.35Å; L38-M42 PolarHBondContact O-N 3.06Å
39L74.9Confident71.3Confident87 Ų87103.4 Ų103.446%0.45554%0.538SS..Hα-helixtrans-63.8-39.8175.6-75.4168.1000112.2L35 L36 Y37 M42 K43L35-L39 HydrophobicContact CG-CD1 4.38Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.4Å; L35-L39 PolarHBondContact O-N 3.49Å; L36-L39 PolarHBondContact O-N 3.2Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; Y37-L39 PolarHBondContact O-N 2.81Å; L39-M42 PolarHBondContact O-N 3.31Å; L39-K43 WeakPolarHBondContact O-CG 3.3Å; L39-K43 PolarHBondContact O-N 3.39Å
40E78.6Confident69.5Low109 Ų109107.1 Ų107.151%0.50955%0.549SS..Hα-helixtrans-64.6-41.3173.3-79.8-170.9161.300112.3L36 Y37 K43 R44L36-E40 PolarHBondContact O-N 3.06Å; Y37-E40 PolarHBondContact O-N 3.44Å; E40-K43 PolarHBondContact O-N 3.17Å; E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 3.17Å
41Q80.5Confident67.4Low60 Ų60109.3 Ų109.328%0.2856%0.559SS.*Hα-helixtrans-62.8-43.9174.6-66-58.2-34.100111.3Y37 L38 K43 R44 V45Y37-Q41 HydrophobicContact CD1-CG 4.24Å; Y37-Q41 HydrophobicContact CE1-CG 3.86Å; Y37-Q41 HydrophobicContact CE2-CG 4.44Å; Y37-Q41 VanDerWaalsContact CZ-NE2 3.32Å; Y37-Q41 WeakPolarHBondContact O-CG 3.26Å; Y37-Q41 PolarHBondContact O-N 3.36Å; Y37-Q41 PolarHBondContact OH-NE2 3.27Å; L38-Q41 PolarHBondContact O-N 2.85Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 2.63Å; Q41-R44 PolarHBondContact O-N 2.78Å; Q41-R44 VanDerWaalsContact O-N 3.15Å; Q41-V45 WeakPolarHBondContact O-CG2 3.37Å; Q41-V45 PolarHBondContact O-N 2.79Å
42M75.2Confident65.1Low125 Ų125112.4 Ų112.462%0.61657%0.573SS**Hα-helixtrans-61-39.3175.1-73.1-17872.100112.2L38 L39 V45 S46L38-M42 WeakPolarHBondContact O-CG 3.35Å; L38-M42 PolarHBondContact O-N 3.06Å; L39-M42 PolarHBondContact O-N 3.31Å; M42-V45 PolarHBondContact O-N 3.16Å; M42-S46 VanDerWaalsContact O-CB 3.32Å; M42-S46 WeakPolarHBondContact O-CB 3.38Å; M42-S46 PolarHBondContact O-N 2.91Å; M42-S46 PolarHBondContact O-OG 3.16Å
43K75.8Confident63.2Low153 Ų153122.9 Ų122.967%0.66560%0.602SS**Hα-helixtrans-63.8-41.2173.8-77-179.6-179.1179.10111.9L39 E40 Q41 S46 A47L39-K43 WeakPolarHBondContact O-CG 3.3Å; L39-K43 PolarHBondContact O-N 3.39Å; E40-K43 PolarHBondContact O-N 3.17Å; Q41-K43 VanDerWaalsContact C-N 3.31Å; Q41-K43 PolarHBondContact O-N 2.63Å; K43-S46 PolarHBondContact O-N 3.45Å; K43-A47 VanDerWaalsContact O-CB 3.31Å; K43-A47 WeakPolarHBondContact O-CB 3.29Å; K43-A47 PolarHBondContact O-N 3.49Å
44R73.4Confident60.8Low161 Ų161125.9 Ų125.961%0.60862%0.618SS**Hα-helixtrans-65-42.5176.4-71.7178.9-175.9-173.93.6112.1E40 Q41 A47 S48E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 3.17Å; Q41-R44 PolarHBondContact O-N 2.78Å; Q41-R44 VanDerWaalsContact O-N 3.15Å; R44-A47 PolarHBondContact O-N 2.92Å; R44-S48 PolarHBondContact O-N 3.19Å
45V68.4Low58.4Low94 Ų94126.1 Ų126.157%0.5763%0.631SS**Hα-helixtrans-63.3-44174.6174.50000110.7Q41 M42 A47 S48 T49Q41-V45 WeakPolarHBondContact O-CG2 3.37Å; Q41-V45 PolarHBondContact O-N 2.79Å; M42-V45 PolarHBondContact O-N 3.16Å; V45-A47 VanDerWaalsContact C-N 3.32Å; V45-A47 PolarHBondContact O-N 2.86Å; V45-S48 WeakPolarHBondContact O-CB 3.5Å; V45-S48 PolarHBondContact O-N 3Å; V45-T49 PolarHBondContact O-N 3.24Å; V45-T49 PolarHBondContact O-OG1 2.79Å
46S59.8Low56.2Low72 Ų72125.1 Ų125.150%0.50364%0.638SS.*Hα-helixtrans-65.9-33.4177.9-54.90000112.9M42 K43M42-S46 VanDerWaalsContact O-CB 3.32Å; M42-S46 WeakPolarHBondContact O-CB 3.38Å; M42-S46 PolarHBondContact O-N 2.91Å; M42-S46 PolarHBondContact O-OG 3.16Å; K43-S46 PolarHBondContact O-N 3.45Å
47A54.6Low54.3Low66 Ų66128.5 Ų128.555%0.54566%0.657SS.*Hα-helixtrans-71.5-36.1174.400000111.6K43 R44 V45 T49 K50K43-A47 VanDerWaalsContact O-CB 3.31Å; K43-A47 WeakPolarHBondContact O-CB 3.29Å; K43-A47 PolarHBondContact O-N 3.49Å; R44-A47 PolarHBondContact O-N 2.92Å; V45-A47 VanDerWaalsContact C-N 3.32Å; V45-A47 PolarHBondContact O-N 2.86Å; A47-T49 PolarHBondContact O-N 2.71Å; A47-K50 PolarHBondContact O-N 3.46Å
48S46.6Very low52Low93 Ų93128.6 Ų128.665%0.6567%0.672SS**Hα-helixtrans-66.1-21.1175.3-172.30000113.5R44 V45R44-S48 PolarHBondContact O-N 3.19Å; V45-S48 WeakPolarHBondContact O-CB 3.5Å; V45-S48 PolarHBondContact O-N 3Å
49T41.5Very low50.1Low114 Ų114129 Ų12970%0.69968%0.682SS**THydrogen-bonded Turntrans-923.5177.1-20.20000113.6V45 A47V45-T49 PolarHBondContact O-N 3.24Å; V45-T49 PolarHBondContact O-OG1 2.79Å; A47-T49 PolarHBondContact O-N 2.71Å
50K36.4Very low48.3Very low185 Ų185131.3 Ų131.380%0.80470%0.699SS**  trans-124.157.8176.9-71.3-172.5177.5-177.90111.2A47A47-K50 PolarHBondContact O-N 3.46Å
51H30.2Very low46.5Very low175 Ų175131.4 Ų131.481%0.8171%0.708SS**  trans-88.899.1154.9-99.3-61.3000108.1
52E29.1Very low44.9Very low181 Ų181132.4 Ų132.485%0.84672%0.721SS**  trans150.393.4153.6-87.2175.4-171.900108.5
53R31.1Very low43.4Very low253 Ų253131.4 Ų131.496%0.95572%0.718SS**  trans-168.7121.5136.4-100.7157-163.4-145.94109.8
54T28.2Very low42.5Very low137 Ų137127.5 Ų127.584%0.8470%0.704SS**  trans-65.6154.4-178.336.90000113.5
55D29.7Very low41.9Very low166 Ų166123.6 Ų123.689%0.88870%0.701SS**  trans-51.1128.5173.9-57-60.6000113.2
56A31.2Very low42.4Very low86 Ų86126 Ų12671%0.71171%0.706SS**  trans163.893.9143.600000108.9
57N32.9Very low43.5Very low161 Ų161124.7 Ų124.786%0.86169%0.693SS**  trans-136.475.4155-104.4-8.6000107.8S59N57-S59 PolarHBondContact O-N 3.08Å
58T32.8Very low45.3Very low137 Ų137123 Ų12384%0.8468%0.676SS**  trans-63.591153.3-37.30000105.5T60T58-T60 PolarHBondContact O-N 3.02Å; T58-T60 VanDerWaalsContact O-N 3.11Å
59S41Very low47.6Very low95 Ų95121.5 Ų121.566%0.66466%0.664SS**  trans-57.2119.2171.917.60000106.6N57 V61N57-S59 PolarHBondContact O-N 3.08Å; S59-V61 VanDerWaalsContact C-N 3.33Å; S59-V61 PolarHBondContact O-N 3.09Å
60T37.8Very low50.3Low134 Ų134116 Ų11682%0.82263%0.631SS**  trans-54.8100.3169.936.30000107.6T58 S62T58-T60 PolarHBondContact O-N 3.02Å; T58-T60 VanDerWaalsContact O-N 3.11Å; T60-S62 VanDerWaalsContact C-N 3.29Å; T60-S62 PolarHBondContact O-N 2.98Å
61V41.2Very low53.2Low112 Ų112107.2 Ų107.268%0.67959%0.593SS**  trans-58.9101.7169.5177.80000105S59 I64S59-V61 VanDerWaalsContact C-N 3.33Å; S59-V61 PolarHBondContact O-N 3.09Å; V61-I64 HydrophobicContact CG1-CD1 3.7Å; V61-I64 HydrophobicContact CG1-CG1 3.82Å
62S45.3Very low56.5Low81 Ų8198.9 Ų98.957%0.56655%0.554SS**  trans-57.8145176.810.60000107.7T60 I64T60-S62 VanDerWaalsContact C-N 3.29Å; T60-S62 PolarHBondContact O-N 2.98Å; S62-I64 WeakPolarHBondContact O-CG1 3.14Å; S62-I64 PolarHBondContact O-N 3.44Å
63D45.5Very low59.8Low103 Ų10390.3 Ų90.355%0.55151%0.514SS*.  trans-43.3103.3178177.914.6000111.2S65 H66D63-S65 PolarHBondContact O-N 2.97Å; D63-S65 VanDerWaalsContact O-N 3.08Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.01Å; D63-S65 VanDerWaalsContact OD1-N 3.11Å; D63-S65 PolarHBondContact OD1-OG 3.18Å; D63-S65 PolarHBondContact OD2-OG 3.01Å; D63-H66 PolarHBondContact O-N 3.06Å; D63-H66 IonicContact OD2-CE1 3.86Å; D63-H66 IonicContact OD2-ND1 2.83Å; D63-H66 PolarHBondContact OD2-ND1 3.28Å; D63-H66 VanDerWaalsContact OD2-ND1 3.14Å
64I54.9Low63Low71 Ų7178.2 Ų78.236%0.36447%0.468SS..THydrogen-bonded Turntrans-67-10.8-175.7-51.6175.6000110.4V61 S62 H66 L196V61-I64 HydrophobicContact CG1-CD1 3.7Å; V61-I64 HydrophobicContact CG1-CG1 3.82Å; S62-I64 WeakPolarHBondContact O-CG1 3.14Å; S62-I64 PolarHBondContact O-N 3.44Å; I64-H66 VanDerWaalsContact C-N 3.3Å; I64-H66 PolarHBondContact O-N 2.94Å; I64-L196 HydrophobicContact CD1-CD2 3.78Å
65S62.2Low66.2Low79 Ų7972.1 Ų72.155%0.55243%0.43SS*.THydrogen-bonded Turntrans-68.7-28.7178.874.10000112.8D63D63-S65 PolarHBondContact O-N 2.97Å; D63-S65 VanDerWaalsContact O-N 3.08Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.01Å; D63-S65 VanDerWaalsContact OD1-N 3.11Å; D63-S65 PolarHBondContact OD1-OG 3.18Å; D63-S65 PolarHBondContact OD2-OG 3.01Å
66H77.7Confident69.4Low144 Ų14464.4 Ų64.467%0.66739%0.389SS*.SBendtrans-105110.1-178.7-70.483.9000111.5D63 I64 P68D63-H66 PolarHBondContact O-N 3.06Å; D63-H66 IonicContact OD2-CE1 3.86Å; D63-H66 IonicContact OD2-ND1 2.83Å; D63-H66 PolarHBondContact OD2-ND1 3.28Å; D63-H66 VanDerWaalsContact OD2-ND1 3.14Å; I64-H66 VanDerWaalsContact C-N 3.3Å; I64-H66 PolarHBondContact O-N 2.94Å; H66-P68 WeakPolarHBondContact O-CD 3.39Å
67I83.4Confident72.4Confident46 Ų4662 Ų6224%0.23637%0.367CS..PPolyproline II helixtrans-73.1118171.8-57.5175.1000107.8I70 L99 Y191I67-I70 HydrophobicContact CG2-CD1 3.95Å; I67-I70 HydrophobicContact CG2-CG1 4.21Å; I67-L99 HydrophobicContact CB-CD1 4.26Å; I67-L99 HydrophobicContact CG2-CD1 3.95Å; I67-Y191 HydrophobicContact CG2-CD1 3.89Å; I67-Y191 HydrophobicContact CG2-CE1 4.09Å
68P91.8Very high75.3Confident30 Ų3058.4 Ų58.420%0.19535%0.348CS..PPolyproline II helixtrans-68.7162173.931.3-34.4000110.5H66 I70 K168 Y191H66-P68 WeakPolarHBondContact O-CD 3.39Å; P68-I70 WeakPolarHBondContact O-CG1 3.43Å; P68-I70 PolarHBondContact O-N 3.33Å; P68-K168 HydrophobicContact CG-CD 4.45Å; P68-Y191 VanDerWaalsContact CD-OH 3.31Å; P68-Y191 WeakPolarHBondContact CD-OH 3.15Å; P68-Y191 HydrophobicContact CG-CE1 4.17Å; P68-Y191 WeakPolarHBondContact CG-OH 3.32Å
69P96.1Very high78.2Confident61 Ų6154.4 Ų54.440%0.39632%0.317SS..PPolyproline II helixtrans-51.2127.9173.9-28.736.5000112.5D98 L99 P101 F167P69-D98 WeakPolarHBondContact CB-O 3.36Å; P69-L99 CarbonylContact C-O 3.55Å; P69-L99 WeakPolarHBondContact CA-O 3.34Å; P69-P101 HydrophobicContact CB-CG 4.31Å; P69-F167 HydrophobicContact CB-CD1 4.2Å; P69-F167 HydrophobicContact CB-CE1 4.03Å
70I97.3Very high80.8Confident0 Ų051.6 Ų51.60%030%0.297CS..  trans-103.2103.8177.3-52.3-177.3000108.1I67 P68 V72 L99 F100 V169 I171 Y191 M253I67-I70 HydrophobicContact CG2-CD1 3.95Å; I67-I70 HydrophobicContact CG2-CG1 4.21Å; P68-I70 WeakPolarHBondContact O-CG1 3.43Å; P68-I70 PolarHBondContact O-N 3.33Å; I70-V72 PolarHBondContact O-N 3.4Å; I70-L99 PolarHBondContact N-O 2.85Å; I70-F100 HydrophobicContact CB-CD1 3.91Å; I70-F100 HydrophobicContact CB-CE1 3.72Å; I70-F100 HydrophobicContact CD1-CE1 3.95Å; I70-F100 HydrophobicContact CD1-CZ 4.28Å; I70-F100 HydrophobicContact CG1-CE1 4.24Å; I70-F100 HydrophobicContact CG2-CD1 4.34Å; I70-F100 HydrophobicContact CG2-CE1 4.07Å; I70-F100 WeakPolarHBondContact O-CA 3.23Å; I70-V169 HydrophobicContact CB-CG1 4.03Å; I70-V169 HydrophobicContact CG1-CG1 3.72Å; I70-V169 HydrophobicContact CG2-CG1 3.99Å; I70-V169 HydrophobicContact CG2-CG2 4.32Å; I70-I171 HydrophobicContact CG2-CD1 3.59Å; I70-I171 HydrophobicContact CG2-CG1 3.66Å; I70-Y191 HydrophobicContact CD1-CD2 4.41Å; I70-Y191 HydrophobicContact CD1-CG 4.11Å; I70-M253 HydrophobicContact CG2-SD 4.26Å
71A98.3Very high83.6Confident0 Ų049 Ų490%028%0.281CS..EExtended strand (participates in β ladder)trans-65.4133.7-179.600000111P101 V161 F167 V169 A170 I171A71-P101 WeakPolarHBondContact CA-O 3.48Å; A71-V161 HydrophobicContact CB-CG1 3.58Å; A71-F167 HydrophobicContact CB-CB 4.03Å; A71-F167 HydrophobicContact CB-CD1 4.04Å; A71-F167 HydrophobicContact CB-CD2 3.65Å; A71-F167 HydrophobicContact CB-CE1 4.44Å; A71-F167 HydrophobicContact CB-CE2 4.06Å; A71-F167 HydrophobicContact CB-CG 3.63Å; A71-F167 HydrophobicContact CB-CZ 4.45Å; A71-V169 PolarHBondContact N-O 2.99Å; A71-V169 VanDerWaalsContact N-O 3.17Å; A71-A170 HydrophobicContact CB-CB 4.38Å; A71-A170 CarbonylContact O-C 3.58Å; A71-A170 WeakPolarHBondContact O-CA 3.46Å; A71-I171 PolarHBondContact O-N 2.94Å
72V98.5Very high86.1Confident0 Ų043.8 Ų43.80%025%0.249CC..EExtended strand (participates in β ladder)trans-98.4104.2168.3-171.10000108.4I70 V74 L90 F100 P101 V102 V103 I171 F184I70-V72 PolarHBondContact O-N 3.4Å; V72-V74 HydrophobicContact CG1-CG2 4.33Å; V72-L90 HydrophobicContact CB-CD2 4.44Å; V72-L90 HydrophobicContact CG1-CD1 3.96Å; V72-L90 HydrophobicContact CG1-CD2 3.8Å; V72-L90 HydrophobicContact CG1-CG 4.49Å; V72-F100 HydrophobicContact CG2-CB 4.24Å; V72-F100 HydrophobicContact CG2-CD1 4.19Å; V72-P101 PolarHBondContact N-O 2.83Å; V72-V102 HydrophobicContact CB-CG2 4.29Å; V72-V102 WeakPolarHBondContact O-CA 3.25Å; V72-V103 PolarHBondContact O-N 3.4Å; V72-I171 CarbonylContact C-O 3.47Å; V72-I171 WeakPolarHBondContact CA-O 3.36Å; V72-F184 HydrophobicContact CG2-CE1 3.77Å; V72-F184 HydrophobicContact CG2-CZ 4.39Å
73L98.5Very high88.5Confident0 Ų039.9 Ų39.90%022%0.222CC..EExtended strand (participates in β ladder)trans-90.2114177175.157.2000109.8F75 V103 A157 L158 V161 I171 V172 T173L73-F75 HydrophobicContact CD1-CE2 4.42Å; L73-F75 HydrophobicContact CD2-CE2 3.5Å; L73-F75 HydrophobicContact CD2-CZ 3.65Å; L73-F75 HydrophobicContact CG-CD2 4.18Å; L73-F75 HydrophobicContact CG-CE2 3.62Å; L73-F75 HydrophobicContact CG-CZ 4.1Å; L73-V103 CarbonylContact C-O 3.58Å; L73-V103 WeakPolarHBondContact CA-O 3.34Å; L73-V103 HydrophobicContact CD1-CG1 4.44Å; L73-A157 HydrophobicContact CD1-CB 4.21Å; L73-A157 HydrophobicContact CD2-CB 4.05Å; L73-L158 HydrophobicContact CD2-CD2 3.89Å; L73-L158 HydrophobicContact CD2-CG 4.29Å; L73-V161 HydrophobicContact CB-CG2 4.39Å; L73-V161 HydrophobicContact CD1-CG2 3.94Å; L73-V161 HydrophobicContact CD2-CG2 4.15Å; L73-V161 HydrophobicContact CG-CG2 4.37Å; L73-I171 PolarHBondContact N-O 3.23Å; L73-V172 WeakPolarHBondContact O-CA 3.43Å; L73-T173 PolarHBondContact O-N 2.87Å; L73-T173 PolarHBondContact O-OG1 3.35Å
74V98Very high91Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-103.3121.7178.2-176.30000109.3V72 L87 L90 V102 V103 V104 S105 T173V72-V74 HydrophobicContact CG1-CG2 4.33Å; V74-L87 HydrophobicContact CB-CD2 4.5Å; V74-L87 HydrophobicContact CG1-CD2 4.31Å; V74-L87 HydrophobicContact CG2-CD2 4.09Å; V74-L90 HydrophobicContact CG2-CD2 3.78Å; V74-V102 HydrophobicContact CG2-CG1 4.19Å; V74-V103 PolarHBondContact N-O 3.46Å; V74-V104 HydrophobicContact CB-CG1 4.36Å; V74-V104 HydrophobicContact CB-CG2 4.25Å; V74-V104 HydrophobicContact CG1-CG1 4.48Å; V74-V104 WeakPolarHBondContact O-CA 3.41Å; V74-S105 PolarHBondContact O-N 3.36Å; V74-T173 WeakPolarHBondContact CA-O 3.32Å; V74-T173 WeakPolarHBondContact CG2-OG1 3.15Å
75F96.9Very high93Very high8 Ų840 Ų404%0.03522%0.219CC..EExtended strand (participates in β ladder)trans-89.3129.5173.1-74.8-91000111.2L73 H153 Y154 A157 V172 T173 E174 D175L73-F75 HydrophobicContact CD1-CE2 4.42Å; L73-F75 HydrophobicContact CD2-CE2 3.5Å; L73-F75 HydrophobicContact CD2-CZ 3.65Å; L73-F75 HydrophobicContact CG-CD2 4.18Å; L73-F75 HydrophobicContact CG-CE2 3.62Å; L73-F75 HydrophobicContact CG-CZ 4.1Å; F75-H153 AromaticContact CD1-CE1 3.48Å; F75-H153 VanDerWaalsContact CD1-CE1 3.48Å; F75-H153 WeakPolarHBondContact CD1-CE1 3.43Å; F75-H153 AromaticContact CD1-CG 3.97Å; F75-H153 AromaticContact CD1-ND1 3.57Å; F75-H153 AromaticContact CD1-NE2 3.78Å; F75-H153 AromaticContact CE1-CD2 3.98Å; F75-Y154 AromaticContact CD1-CD2 3.96Å; F75-Y154 HydrophobicContact CD1-CD2 3.96Å; F75-Y154 AromaticContact CD1-CE2 3.82Å; F75-Y154 HydrophobicContact CD1-CE2 3.82Å; F75-Y154 HydrophobicContact CD1-CG 4.5Å; F75-Y154 HydrophobicContact CD2-CE1 4.03Å; F75-Y154 HydrophobicContact CD2-CE2 4.23Å; F75-Y154 AromaticContact CD2-CZ 3.82Å; F75-Y154 HydrophobicContact CE1-CD1 4.25Å; F75-Y154 AromaticContact CE1-CD2 3.71Å; F75-Y154 HydrophobicContact CE1-CD2 3.71Å; F75-Y154 AromaticContact CE1-CE2 4Å; F75-Y154 HydrophobicContact CE1-CE2 4Å; F75-Y154 AromaticContact CE1-CG 3.85Å; F75-Y154 HydrophobicContact CE1-CG 3.85Å; F75-Y154 AromaticContact CE2-CD1 3.89Å; F75-Y154 HydrophobicContact CE2-CD1 3.89Å; F75-Y154 AromaticContact CE2-CE1 3.68Å; F75-Y154 HydrophobicContact CE2-CE1 3.68Å; F75-Y154 HydrophobicContact CE2-CE2 4.36Å; F75-Y154 HydrophobicContact CE2-CG 4.33Å; F75-Y154 AromaticContact CE2-CZ 3.93Å; F75-Y154 AromaticContact CG-CE2 3.96Å; F75-Y154 HydrophobicContact CG-CE2 3.96Å; F75-Y154 AromaticContact CG-CZ 3.99Å; F75-Y154 AromaticContact CZ-CD1 3.69Å; F75-Y154 HydrophobicContact CZ-CD1 3.69Å; F75-Y154 HydrophobicContact CZ-CD2 4.02Å; F75-Y154 AromaticContact CZ-CE1 3.95Å; F75-Y154 HydrophobicContact CZ-CE1 3.95Å; F75-Y154 HydrophobicContact CZ-CE2 4.25Å; F75-Y154 AromaticContact CZ-CG 3.74Å; F75-Y154 HydrophobicContact CZ-CG 3.74Å; F75-A157 HydrophobicContact CE1-CB 3.54Å; F75-A157 HydrophobicContact CZ-CB 3.61Å; F75-V172 HydrophobicContact CD2-CG1 3.85Å; F75-V172 HydrophobicContact CE2-CG1 3.64Å; F75-T173 PolarHBondContact N-O 3.46Å; F75-E174 HydrophobicContact CB-CG 4.14Å; F75-D175 PolarHBondContact O-N 2.77Å; F75-D175 VanDerWaalsContact O-N 3.09Å
76A95.9Very high94.7Very high4 Ų436.5 Ų36.53%0.03319%0.193CC..EExtended strand (participates in β ladder)trans-136.1159.9175.500000111.3T83 V104 S105 Q106 D107 T113 I117 H153 D175A76-T83 HydrophobicContact CB-CG2 4.22Å; A76-V104 HydrophobicContact CB-CG1 4.47Å; A76-S105 PolarHBondContact N-O 3.08Å; A76-Q106 CarbonylContact O-C 3.39Å; A76-Q106 WeakPolarHBondContact O-CA 3.36Å; A76-D107 PolarHBondContact O-N 3.47Å; A76-T113 HydrophobicContact CB-CG2 4.37Å; A76-I117 HydrophobicContact CB-CD1 4.25Å; A76-H153 PolarHBondContact O-CE1 3.26Å; A76-D175 HydrophobicContact CB-CB 4.35Å
77C95Very high95.7Very high35 Ų3529.6 Ų29.624%0.23616%0.161CC..SBendtrans-136.1-77.8174.7161.20000110.4Q106 C108 H110C77-Q106 PolarHBondContact O-NE2 3.45Å; C77-Q106 VanDerWaalsContact O-NE2 3.14Å; C77-C108 HydrophobicContact CB-CB 4.08Å; C77-C108 WeakPolarHBondContact CB-SG 3.46Å; C77-C108 WeakPolarHBondContact SG-CB 3.43Å; C77-C108 CovalentContact SG-SG 2.03Å; C77-C108 PolarHBondContact SG-SG 2.83Å; C77-H110 WeakPolarHBondContact O-CB 3.47Å
78N94Very high96.4Very high87 Ų8731.4 Ų31.447%0.46517%0.172SC..SBendtrans-141.625.5-169.666.7-9.2000114.5P80 H110 T113N78-P80 VanDerWaalsContact O-CD 3.23Å; N78-P80 WeakPolarHBondContact O-CD 3.46Å; N78-H110 WeakPolarHBondContact CA-ND1 3.49Å; N78-H110 HydrophobicContact CB-CB 3.74Å; N78-T113 VanDerWaalsContact C-OG1 3.31Å; N78-T113 WeakPolarHBondContact CA-OG1 3.13Å
79R93.1Very high96.7Very high52 Ų5232.9 Ų32.920%0.19617%0.173CC..  trans-113.673.6-177.6-62.6-172.7-71.8-167.3-6112.1T81 A82 T83 T113 D175 D176 Y299 V302R79-T81 VanDerWaalsContact C-N 3.31Å; R79-T81 PolarHBondContact O-N 2.89Å; R79-A82 HydrophobicContact CB-CB 3.75Å; R79-A82 PolarHBondContact O-N 3.09Å; R79-T83 PolarHBondContact O-N 2.94Å; R79-T83 PolarHBondContact O-OG1 3.43Å; R79-T113 PolarHBondContact N-OG1 3.37Å; R79-D175 IonicContact CZ-OD1 3.41Å; R79-D175 VanDerWaalsContact CZ-OD1 3.22Å; R79-D175 IonicContact NE-OD1 2.95Å; R79-D175 PolarHBondContact NE-OD1 2.75Å; R79-D175 IonicContact NE-OD2 3.23Å; R79-D175 IonicContact NH2-OD1 3.13Å; R79-D175 PolarHBondContact NH2-OD1 2.98Å; R79-D176 IonicContact CZ-OD2 3.35Å; R79-D176 VanDerWaalsContact CZ-OD2 3.23Å; R79-D176 IonicContact NH1-OD2 3.17Å; R79-D176 PolarHBondContact NH1-OD2 3.1Å; R79-D176 IonicContact NH2-OD1 2.63Å; R79-D176 IonicContact NH2-OD2 3.22Å; R79-D176 PolarHBondContact NH2-OD2 3.07Å; R79-Y299 PolarHBondContact NH1-O 3.16Å; R79-V302 PolarHBondContact NH1-O 3.03Å; R79-V302 VanDerWaalsContact NH1-O 3.16Å
80P96.4Very high96.7Very high36 Ų3630 Ų3023%0.23415%0.154CC..Hα-helixtrans-55.8-41.2-169.821.8-32.9000113.7N78 R84 T113 V116N78-P80 VanDerWaalsContact O-CD 3.23Å; N78-P80 WeakPolarHBondContact O-CD 3.46Å; P80-R84 WeakPolarHBondContact O-CB 3.43Å; P80-R84 PolarHBondContact O-N 2.9Å; P80-T113 WeakPolarHBondContact CD-OG1 3.44Å; P80-V116 HydrophobicContact CB-CG2 3.82Å
81T96.1Very high96.8Very high80 Ų8031.4 Ų31.449%0.49116%0.162SC..Hα-helixtrans-67.3-44.3178-49.50000112.3R79 R84 V85 Y299R79-T81 VanDerWaalsContact C-N 3.31Å; R79-T81 PolarHBondContact O-N 2.89Å; T81-R84 PolarHBondContact O-N 3.18Å; T81-V85 WeakPolarHBondContact O-CG2 3.16Å; T81-V85 PolarHBondContact O-N 3.35Å; T81-Y299 HydrophobicContact CG2-CE1 3.93Å; T81-Y299 WeakPolarHBondContact CG2-OH 3.36Å
82A93.2Very high96.8Very high2 Ų238 Ų382%0.01719%0.192CC..Hα-helixtrans-62.4-48.4178.400000110.3R79 R84 V85 H86 D175 Y299R79-A82 HydrophobicContact CB-CB 3.75Å; R79-A82 PolarHBondContact O-N 3.09Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.06Å; A82-V85 PolarHBondContact O-N 3.5Å; A82-H86 WeakPolarHBondContact O-CB 3.35Å; A82-H86 PolarHBondContact O-N 2.73Å; A82-D175 CarbonylContact C-O 3.16Å; A82-D175 VanDerWaalsContact CB-O 3.3Å; A82-D175 WeakPolarHBondContact CB-O 3.21Å; A82-D175 VanDerWaalsContact O-O 3.09Å; A82-Y299 HydrophobicContact CB-CD1 4.14Å; A82-Y299 HydrophobicContact CB-CD2 3.98Å; A82-Y299 HydrophobicContact CB-CG 3.63Å
83T96.1Very high96.8Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-55.5-44.2174.2-470000111.8A76 R79 L87 T113 I117 D175A76-T83 HydrophobicContact CB-CG2 4.22Å; R79-T83 PolarHBondContact O-N 2.94Å; R79-T83 PolarHBondContact O-OG1 3.43Å; T83-L87 HydrophobicContact CG2-CD1 3.84Å; T83-L87 HydrophobicContact CG2-CG 4.33Å; T83-L87 WeakPolarHBondContact O-CB 3.45Å; T83-L87 VanDerWaalsContact O-CG 3.26Å; T83-L87 WeakPolarHBondContact O-CG 3.41Å; T83-L87 PolarHBondContact O-N 2.89Å; T83-T113 HydrophobicContact CG2-CG2 4.48Å; T83-I117 HydrophobicContact CG2-CD1 4.21Å; T83-I117 HydrophobicContact CG2-CG1 3.77Å; T83-D175 PolarHBondContact OG1-OD2 2.8Å
84R98Very high96.7Very high103 Ų10341 Ų4139%0.38921%0.206SC..Hα-helixtrans-62-50.1177.3-176.8175-65.1-72.45.8112P80 T81 A82 H86 L87 N88 V116 Y120P80-R84 WeakPolarHBondContact O-CB 3.43Å; P80-R84 PolarHBondContact O-N 2.9Å; T81-R84 PolarHBondContact O-N 3.18Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.06Å; R84-H86 VanDerWaalsContact C-N 3.35Å; R84-H86 PolarHBondContact O-N 3.47Å; R84-L87 PolarHBondContact O-N 3.41Å; R84-N88 WeakPolarHBondContact O-CB 3.38Å; R84-N88 PolarHBondContact O-N 3.48Å; R84-V116 HydrophobicContact CB-CG1 3.83Å; R84-Y120 WeakPolarHBondContact CA-OH 3.35Å; R84-Y120 PolarHBondContact O-OH 3.06Å
85V97.2Very high96.6Very high74 Ų7445.3 Ų45.345%0.44823%0.234SC..Hα-helixtrans-61-46.2-178.6170.70000110.7T81 A82 R89 Y299T81-V85 WeakPolarHBondContact O-CG2 3.16Å; T81-V85 PolarHBondContact O-N 3.35Å; A82-V85 PolarHBondContact O-N 3.5Å; V85-R89 WeakPolarHBondContact O-CB 3.38Å; V85-R89 PolarHBondContact O-N 3.41Å; V85-R89 VanDerWaalsContact O-N 3.11Å; V85-Y299 HydrophobicContact CB-CE2 4.46Å; V85-Y299 HydrophobicContact CG2-CE2 4.25Å
86H96.4Very high96.6Very high4 Ų446.9 Ų46.92%0.01925%0.246CC..Hα-helixtrans-62.7-48.6179.2-177.576.4000112.1A82 R84 R89 L90 E174 L177A82-H86 WeakPolarHBondContact O-CB 3.35Å; A82-H86 PolarHBondContact O-N 2.73Å; R84-H86 VanDerWaalsContact C-N 3.35Å; R84-H86 PolarHBondContact O-N 3.47Å; H86-R89 PolarHBondContact O-N 2.92Å; H86-L90 WeakPolarHBondContact O-CB 3.33Å; H86-L90 PolarHBondContact O-N 3.42Å; H86-E174 PolarHBondContact CE1-O 3.3Å; H86-E174 PolarHBondContact ND1-O 2.56Å; H86-L177 PolarHBondContact ND1-O 2.76Å
87L98.4Very high96.6Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-66.2-40.7-179.7-70.4177.5000112.7V74 T83 R84 R89 L90 L91 V102 V104 Y120V74-L87 HydrophobicContact CB-CD2 4.5Å; V74-L87 HydrophobicContact CG1-CD2 4.31Å; V74-L87 HydrophobicContact CG2-CD2 4.09Å; T83-L87 HydrophobicContact CG2-CD1 3.84Å; T83-L87 HydrophobicContact CG2-CG 4.33Å; T83-L87 WeakPolarHBondContact O-CB 3.45Å; T83-L87 VanDerWaalsContact O-CG 3.26Å; T83-L87 WeakPolarHBondContact O-CG 3.41Å; T83-L87 PolarHBondContact O-N 2.89Å; R84-L87 PolarHBondContact O-N 3.41Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.33Å; L87-L90 HydrophobicContact CD2-CD2 4.47Å; L87-L90 PolarHBondContact O-N 3.29Å; L87-L91 WeakPolarHBondContact O-CB 3.34Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.3Å; L87-L91 PolarHBondContact O-N 3.11Å; L87-V102 HydrophobicContact CD2-CG1 4.33Å; L87-V104 HydrophobicContact CD1-CG2 4.13Å; L87-V104 HydrophobicContact CD2-CG2 3.65Å; L87-Y120 HydrophobicContact CB-CE1 4.05Å; L87-Y120 HydrophobicContact CB-CE2 3.9Å; L87-Y120 HydrophobicContact CD1-CD2 3.8Å; L87-Y120 HydrophobicContact CD1-CE2 3.53Å; L87-Y120 HydrophobicContact CG-CE2 4.38Å
88N98.4Very high96.7Very high84 Ų8455.5 Ų55.545%0.44929%0.285SS..Hα-helixtrans-56.3-48.3173.7-81.2-10.7000110.8R84 L91 E92 Y120R84-N88 WeakPolarHBondContact O-CB 3.38Å; R84-N88 PolarHBondContact O-N 3.48Å; N88-L91 PolarHBondContact O-N 2.86Å; N88-E92 VanDerWaalsContact O-CB 3.3Å; N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 PolarHBondContact O-N 2.84Å; N88-Y120 WeakPolarHBondContact OD1-CE1 3.26Å; N88-Y120 PolarHBondContact OD1-OH 2.92Å
89R97.9Very high96.8Very high61 Ų6153.7 Ų53.723%0.2328%0.275CS..Hα-helixtrans-65.3-41.8-180-177.455.9173.9169.23.8112.5V85 H86 L87 E92 L93 L179 N181V85-R89 WeakPolarHBondContact O-CB 3.38Å; V85-R89 PolarHBondContact O-N 3.41Å; V85-R89 VanDerWaalsContact O-N 3.11Å; H86-R89 PolarHBondContact O-N 2.92Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.33Å; R89-E92 WeakPolarHBondContact CD-OE2 3.5Å; R89-E92 IonicContact CZ-OE2 2.7Å; R89-E92 IonicContact NH1-OE1 3.14Å; R89-E92 PolarHBondContact NH1-OE1 3.43Å; R89-E92 IonicContact NH1-OE2 3.74Å; R89-E92 PolarHBondContact NH1-OE2 2.85Å; R89-E92 PolarHBondContact O-N 2.8Å; R89-L93 HydrophobicContact CG-CD1 4.25Å; R89-L93 WeakPolarHBondContact O-CG 3.41Å; R89-L93 PolarHBondContact O-N 2.87Å; R89-L93 VanDerWaalsContact O-N 3.14Å; R89-L179 HydrophobicContact CG-CB 4.19Å; R89-L179 PolarHBondContact NE-O 3.14Å; R89-N181 PolarHBondContact NH2-OD1 3.48Å
90L98Very high97Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-61.9-44.7177.8-17670.9000111.3V72 V74 H86 L87 L93 R94 V102 L179 F183 F184V72-L90 HydrophobicContact CB-CD2 4.44Å; V72-L90 HydrophobicContact CG1-CD1 3.96Å; V72-L90 HydrophobicContact CG1-CD2 3.8Å; V72-L90 HydrophobicContact CG1-CG 4.49Å; V74-L90 HydrophobicContact CG2-CD2 3.78Å; H86-L90 WeakPolarHBondContact O-CB 3.33Å; H86-L90 PolarHBondContact O-N 3.42Å; L87-L90 HydrophobicContact CD2-CD2 4.47Å; L87-L90 PolarHBondContact O-N 3.29Å; L90-L93 PolarHBondContact O-N 3.2Å; L90-R94 WeakPolarHBondContact O-CB 3.36Å; L90-R94 PolarHBondContact O-N 3.09Å; L90-R94 VanDerWaalsContact O-N 3.11Å; L90-V102 HydrophobicContact CD2-CB 4.42Å; L90-V102 HydrophobicContact CD2-CG1 3.69Å; L90-V102 HydrophobicContact CD2-CG2 3.78Å; L90-V102 HydrophobicContact CG-CG2 4.35Å; L90-L179 HydrophobicContact CB-CD1 4.02Å; L90-L179 HydrophobicContact CD1-CD1 3.56Å; L90-L179 HydrophobicContact CG-CD1 4.43Å; L90-F183 HydrophobicContact CD1-CE1 4.3Å; L90-F184 HydrophobicContact CD1-CE1 4.36Å; L90-F184 HydrophobicContact CD1-CE2 4.02Å; L90-F184 HydrophobicContact CD1-CZ 3.48Å; L90-F184 VanDerWaalsContact CD1-CZ 3.48Å; L90-F184 HydrophobicContact CG-CZ 4.14Å; L90-F184 WeakPolarHBondContact O-CE2 3.4Å
91L98.3Very high97.1Very high29 Ų2950.6 Ų50.615%0.15226%0.262CS..Hα-helixtrans-71.9-35.4179.7-67175.2000112.6L87 N88 L93 R94 V102 Y120 Q123 I124L87-L91 WeakPolarHBondContact O-CB 3.34Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.3Å; L87-L91 PolarHBondContact O-N 3.11Å; N88-L91 PolarHBondContact O-N 2.86Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.8Å; L91-R94 VanDerWaalsContact CD2-CZ 3.43Å; L91-R94 PolarHBondContact O-N 2.82Å; L91-V102 HydrophobicContact CD2-CG2 4.28Å; L91-Y120 HydrophobicContact CD1-CD1 3.44Å; L91-Y120 VanDerWaalsContact CD1-CD1 3.44Å; L91-Y120 HydrophobicContact CD1-CE1 3.8Å; L91-Y120 HydrophobicContact CD1-CG 4.42Å; L91-Q123 HydrophobicContact CD1-CB 4.1Å; L91-Q123 HydrophobicContact CD2-CB 4.27Å; L91-I124 HydrophobicContact CD2-CG2 4.42Å
92E98.1Very high97.2Very high138 Ų13846.9 Ų46.965%0.64524%0.239SC*.Hα-helixtrans-58.7-43.9173.1-176.9-162.1167.700111.6N88 R89N88-E92 VanDerWaalsContact O-CB 3.3Å; N88-E92 WeakPolarHBondContact O-CB 3.39Å; N88-E92 PolarHBondContact O-N 2.84Å; R89-E92 WeakPolarHBondContact CD-OE2 3.5Å; R89-E92 IonicContact CZ-OE2 2.7Å; R89-E92 IonicContact NH1-OE1 3.14Å; R89-E92 PolarHBondContact NH1-OE1 3.43Å; R89-E92 IonicContact NH1-OE2 3.74Å; R89-E92 PolarHBondContact NH1-OE2 2.85Å; R89-E92 PolarHBondContact O-N 2.8Å
93L98.1Very high97.5Very high33 Ų3346.9 Ų46.917%0.17324%0.238CC..Hα-helixtrans-82.4-13.6-178.5-66.6177000113.8R89 L90 L91 P95 L179 A180 F184R89-L93 HydrophobicContact CG-CD1 4.25Å; R89-L93 WeakPolarHBondContact O-CG 3.41Å; R89-L93 PolarHBondContact O-N 2.87Å; R89-L93 VanDerWaalsContact O-N 3.14Å; L90-L93 PolarHBondContact O-N 3.2Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.8Å; L93-P95 VanDerWaalsContact O-CD 3.3Å; L93-P95 WeakPolarHBondContact O-CD 3.45Å; L93-L179 HydrophobicContact CD1-CB 3.98Å; L93-A180 VanDerWaalsContact CD1-O 3.24Å; L93-A180 WeakPolarHBondContact CD1-O 3.2Å; L93-F184 HydrophobicContact CB-CD2 3.91Å; L93-F184 HydrophobicContact CB-CE2 3.84Å; L93-F184 WeakPolarHBondContact O-CD2 3.33Å
94R97.7Very high97.6Very high32 Ų3246.9 Ų46.912%0.12124%0.238CC..  trans-69116.8-170.4-177.717864.2-177.8-2.3111L90 L91 S96 F100 Q123 F184L90-R94 WeakPolarHBondContact O-CB 3.36Å; L90-R94 PolarHBondContact O-N 3.09Å; L90-R94 VanDerWaalsContact O-N 3.11Å; L91-R94 VanDerWaalsContact CD2-CZ 3.43Å; L91-R94 PolarHBondContact O-N 2.82Å; R94-S96 WeakPolarHBondContact CG-O 3.48Å; R94-F100 VanDerWaalsContact CD-O 3.23Å; R94-F100 WeakPolarHBondContact CD-O 3.46Å; R94-F100 HydrophobicContact CG-CB 4.05Å; R94-Q123 PolarHBondContact NH1-O 2.98Å; R94-F184 VanDerWaalsContact CA-CE2 3.43Å; R94-F184 HydrophobicContact CB-CE2 3.99Å; R94-F184 HydrophobicContact CB-CZ 3.99Å; R94-F184 HydrophobicContact CG-CZ 4.25Å
95P95.9Very high97.6Very high89 Ų8942 Ų4258%0.57822%0.22SC*.SBendtrans-75.7-30.7-176.929.4-34.6000113.1L93 F100 F184L93-P95 VanDerWaalsContact O-CD 3.3Å; L93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-F100 HydrophobicContact CG-CD2 3.67Å; P95-F100 HydrophobicContact CG-CE2 3.7Å; P95-F184 HydrophobicContact CG-CB 4.09Å; P95-F184 HydrophobicContact CG-CG 4.39Å
96S96.6Very high97.7Very high41 Ų4138.4 Ų38.429%0.28720%0.198SC..  trans-152.2135.8178.31650000110.7R94 D98 L99 F100R94-S96 WeakPolarHBondContact CG-O 3.48Å; S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 PolarHBondContact OG-N 3.41Å; S96-L99 PolarHBondContact OG-N 3.04Å; S96-L99 VanDerWaalsContact OG-N 3.16Å; S96-F100 PolarHBondContact O-N 3.35Å
97K96.3Very high97.6Very high92 Ų9238.6 Ų38.640%0.420%0.199SC..THydrogen-bonded Turntrans-67.6-32.2174.6179.7-179.5170.1-174.80112F100 P101 S122K97-F100 CarbonylContact O-C 3.56Å; K97-P101 WeakPolarHBondContact O-CA 3.31Å; K97-S122 WeakPolarHBondContact CE-O 3.46Å; K97-S122 PolarHBondContact NZ-O 3.23Å
98D95.9Very high97.4Very high129 Ų12941 Ų4169%0.6922%0.216SC*.THydrogen-bonded Turntrans-81.4-36.3-177.3-56.9-38.3000111.3P69 S96P69-D98 WeakPolarHBondContact CB-O 3.36Å; S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 PolarHBondContact OG-N 3.41Å
99L95.8Very high97.3Very high48 Ų4841.6 Ų41.625%0.25122%0.219SC..THydrogen-bonded Turntrans-76.8-35.4175.9-172.160.4000112I67 P69 I70 S96 P101I67-L99 HydrophobicContact CB-CD1 4.26Å; I67-L99 HydrophobicContact CG2-CD1 3.95Å; P69-L99 CarbonylContact C-O 3.55Å; P69-L99 WeakPolarHBondContact CA-O 3.34Å; I70-L99 PolarHBondContact N-O 2.85Å; S96-L99 PolarHBondContact OG-N 3.04Å; S96-L99 VanDerWaalsContact OG-N 3.16Å; L99-P101 VanDerWaalsContact C-CD 3.42Å; L99-P101 WeakPolarHBondContact O-CD 3.16Å
100F98Very high97.2Very high0 Ų041.8 Ų41.80%022%0.222CC..SBendtrans-125.369-179.5-66.6-75.2000112.2I70 V72 R94 P95 S96 K97 V102 I171 F184 S188I70-F100 HydrophobicContact CB-CD1 3.91Å; I70-F100 HydrophobicContact CB-CE1 3.72Å; I70-F100 HydrophobicContact CD1-CE1 3.95Å; I70-F100 HydrophobicContact CD1-CZ 4.28Å; I70-F100 HydrophobicContact CG1-CE1 4.24Å; I70-F100 HydrophobicContact CG2-CD1 4.34Å; I70-F100 HydrophobicContact CG2-CE1 4.07Å; I70-F100 WeakPolarHBondContact O-CA 3.23Å; V72-F100 HydrophobicContact CG2-CB 4.24Å; V72-F100 HydrophobicContact CG2-CD1 4.19Å; R94-F100 VanDerWaalsContact CD-O 3.23Å; R94-F100 WeakPolarHBondContact CD-O 3.46Å; R94-F100 HydrophobicContact CG-CB 4.05Å; P95-F100 HydrophobicContact CG-CD2 3.67Å; P95-F100 HydrophobicContact CG-CE2 3.7Å; S96-F100 PolarHBondContact O-N 3.35Å; K97-F100 CarbonylContact O-C 3.56Å; F100-V102 PolarHBondContact O-N 2.84Å; F100-I171 HydrophobicContact CD1-CD1 4.29Å; F100-I171 HydrophobicContact CE1-CD1 3.98Å; F100-F184 HydrophobicContact CB-CD1 4.1Å; F100-F184 HydrophobicContact CB-CE1 3.67Å; F100-F184 AromaticContact CD1-CD1 3.45Å; F100-F184 HydrophobicContact CD1-CD1 3.45Å; F100-F184 VanDerWaalsContact CD1-CD1 3.45Å; F100-F184 AromaticContact CD1-CE1 3.63Å; F100-F184 HydrophobicContact CD1-CE1 3.63Å; F100-F184 AromaticContact CD2-CD1 3.65Å; F100-F184 HydrophobicContact CD2-CD1 3.65Å; F100-F184 HydrophobicContact CD2-CE1 4.11Å; F100-F184 HydrophobicContact CD2-CG 4.36Å; F100-F184 AromaticContact CE1-CD1 3.65Å; F100-F184 HydrophobicContact CE1-CD1 3.65Å; F100-F184 HydrophobicContact CE1-CE1 4.28Å; F100-F184 HydrophobicContact CE2-CB 4.14Å; F100-F184 AromaticContact CE2-CD1 3.84Å; F100-F184 HydrophobicContact CE2-CD1 3.84Å; F100-F184 HydrophobicContact CE2-CG 4.36Å; F100-F184 AromaticContact CG-CD1 3.43Å; F100-F184 HydrophobicContact CG-CD1 3.43Å; F100-F184 VanDerWaalsContact CG-CD1 3.43Å; F100-F184 AromaticContact CG-CE1 3.52Å; F100-F184 HydrophobicContact CG-CE1 3.52Å; F100-F184 HydrophobicContact CZ-CB 4.25Å; F100-F184 AromaticContact CZ-CD1 3.84Å; F100-F184 HydrophobicContact CZ-CD1 3.84Å; F100-S188 VanDerWaalsContact CZ-OG 3.31Å; F100-S188 WeakPolarHBondContact CZ-OG 3.36Å
101P98.4Very high97.2Very high24 Ų2447.2 Ų47.216%0.15625%0.248CC..  trans-64127.7174.624.4-30.1000109.8P69 A71 V72 K97 L99 F167P69-P101 HydrophobicContact CB-CG 4.31Å; A71-P101 WeakPolarHBondContact CA-O 3.48Å; V72-P101 PolarHBondContact N-O 2.83Å; K97-P101 WeakPolarHBondContact O-CA 3.31Å; L99-P101 VanDerWaalsContact C-CD 3.42Å; L99-P101 WeakPolarHBondContact O-CD 3.16Å; P101-F167 HydrophobicContact CB-CE1 4.35Å; P101-F167 HydrophobicContact CB-CZ 4.02Å; P101-F167 HydrophobicContact CG-CD1 4.32Å; P101-F167 HydrophobicContact CG-CE1 3.39Å; P101-F167 HydrophobicContact CG-CZ 3.52Å
102V98.7Very high97.3Very high2 Ų248.3 Ų48.31%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-95.6122.3-177.8177.30000109.2V72 V74 L87 L90 L91 F100 V104 I124 T125V72-V102 HydrophobicContact CB-CG2 4.29Å; V72-V102 WeakPolarHBondContact O-CA 3.25Å; V74-V102 HydrophobicContact CG2-CG1 4.19Å; L87-V102 HydrophobicContact CD2-CG1 4.33Å; L90-V102 HydrophobicContact CD2-CB 4.42Å; L90-V102 HydrophobicContact CD2-CG1 3.69Å; L90-V102 HydrophobicContact CD2-CG2 3.78Å; L90-V102 HydrophobicContact CG-CG2 4.35Å; L91-V102 HydrophobicContact CD2-CG2 4.28Å; F100-V102 PolarHBondContact O-N 2.84Å; V102-V104 HydrophobicContact CG1-CG2 4.18Å; V102-I124 HydrophobicContact CB-CB 4.45Å; V102-I124 HydrophobicContact CB-CG2 3.96Å; V102-I124 HydrophobicContact CG1-CB 4.31Å; V102-I124 HydrophobicContact CG1-CG2 3.71Å; V102-I124 CarbonylContact O-C 3.04Å; V102-I124 WeakPolarHBondContact O-CA 3.45Å; V102-T125 PolarHBondContact O-N 2.9Å
103V98.8Very high97.3Very high1 Ų141.8 Ų41.81%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-115.7120175.8-174.70000108.3V72 L73 V74 T125 L127 V161 M165V72-V103 PolarHBondContact O-N 3.4Å; L73-V103 CarbonylContact C-O 3.58Å; L73-V103 WeakPolarHBondContact CA-O 3.34Å; L73-V103 HydrophobicContact CD1-CG1 4.44Å; V74-V103 PolarHBondContact N-O 3.46Å; V103-T125 CarbonylContact C-O 3.5Å; V103-T125 WeakPolarHBondContact CA-O 3.29Å; V103-L127 HydrophobicContact CG1-CD1 3.53Å; V103-L127 HydrophobicContact CG1-CG 3.83Å; V103-V161 HydrophobicContact CB-CG2 4.17Å; V103-V161 HydrophobicContact CG1-CG2 3.97Å; V103-V161 HydrophobicContact CG2-CG2 4.36Å; V103-M165 HydrophobicContact CG1-CE 4.13Å; V103-M165 HydrophobicContact CG1-SD 4.35Å; V103-M165 HydrophobicContact CG2-SD 3.95Å
104V98.7Very high97.3Very high0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-103.2116.8177.9-171.50000108.7V74 A76 L87 V102 I117 I124 T125 L127V74-V104 HydrophobicContact CB-CG1 4.36Å; V74-V104 HydrophobicContact CB-CG2 4.25Å; V74-V104 HydrophobicContact CG1-CG1 4.48Å; V74-V104 WeakPolarHBondContact O-CA 3.41Å; A76-V104 HydrophobicContact CB-CG1 4.47Å; L87-V104 HydrophobicContact CD1-CG2 4.13Å; L87-V104 HydrophobicContact CD2-CG2 3.65Å; V102-V104 HydrophobicContact CG1-CG2 4.18Å; V104-I117 HydrophobicContact CB-CG2 3.88Å; V104-I117 HydrophobicContact CG1-CD1 3.69Å; V104-I117 HydrophobicContact CG1-CG1 3.97Å; V104-I117 HydrophobicContact CG1-CG2 3.9Å; V104-I117 HydrophobicContact CG2-CG2 4.34Å; V104-I124 HydrophobicContact CB-CD1 4.17Å; V104-I124 HydrophobicContact CG2-CB 4.33Å; V104-I124 HydrophobicContact CG2-CD1 3.59Å; V104-I124 HydrophobicContact CG2-CG2 4.44Å; V104-T125 PolarHBondContact N-O 2.91Å; V104-L127 PolarHBondContact O-N 2.96Å
105S98.5Very high97.3Very high0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-105114.9176.4-172.60000110.2V74 A76 L127 H153 W156 A157V74-S105 PolarHBondContact O-N 3.36Å; A76-S105 PolarHBondContact N-O 3.08Å; S105-L127 WeakPolarHBondContact CA-O 3.21Å; S105-H153 PolarHBondContact O-CE1 3.26Å; S105-H153 PolarHBondContact O-NE2 2.93Å; S105-H153 PolarHBondContact OG-NE2 3.42Å; S105-W156 WeakPolarHBondContact OG-CZ3 3.15Å; S105-A157 WeakPolarHBondContact OG-CB 3.28Å
106Q98.3Very high97.5Very high0 Ų038.4 Ų38.40%022%0.216CC..EExtended strand (participates in β ladder)trans-103.5135.4-179.3-177-178.75.200111.8A76 C77 H110 T113 I117 F126 L127 Q128 Q129A76-Q106 CarbonylContact O-C 3.39Å; A76-Q106 WeakPolarHBondContact O-CA 3.36Å; C77-Q106 PolarHBondContact O-NE2 3.45Å; C77-Q106 VanDerWaalsContact O-NE2 3.14Å; Q106-H110 PolarHBondContact NE2-O 3.06Å; Q106-T113 HydrophobicContact CG-CG2 4.46Å; Q106-I117 HydrophobicContact CB-CD1 3.98Å; Q106-I117 HydrophobicContact CG-CD1 4.29Å; Q106-F126 HydrophobicContact CB-CE2 3.64Å; Q106-F126 HydrophobicContact CB-CZ 4.3Å; Q106-F126 VanDerWaalsContact OE1-CZ 3.3Å; Q106-L127 PolarHBondContact N-O 3Å; Q106-Q128 PolarHBondContact O-NE2 3.01Å; Q106-Q129 WeakPolarHBondContact O-CB 3.24Å; Q106-Q129 PolarHBondContact O-N 3.49Å
107D95.9Very high97.6Very high7 Ų736.4 Ų36.44%0.03720%0.203CC..  trans-105-177.3164-164.918.2000111.1A76 N109 Q129 Q132 H153A76-D107 PolarHBondContact O-N 3.47Å; D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 2.87Å; D107-Q129 HydrophobicContact CB-CB 4.49Å; D107-Q132 PolarHBondContact OD1-NE2 3.03Å; D107-Q132 PolarHBondContact OD1-OE1 3.25Å; D107-H153 HydrophobicContact CB-CB 4.41Å; D107-H153 WeakPolarHBondContact CB-ND1 3.42Å; D107-H153 PolarHBondContact N-CE1 3.05Å
108C94.4Very high97.7Very high51 Ų5137.9 Ų37.935%0.34521%0.205SC..THydrogen-bonded Turntrans73.41.2169.6-48.20000116.8C77 H110 Q132C77-C108 HydrophobicContact CB-CB 4.08Å; C77-C108 WeakPolarHBondContact CB-SG 3.46Å; C77-C108 WeakPolarHBondContact SG-CB 3.43Å; C77-C108 CovalentContact SG-SG 2.03Å; C77-C108 PolarHBondContact SG-SG 2.83Å; C108-H110 PolarHBondContact O-N 3.33Å; C108-Q132 VanDerWaalsContact N-OE1 3.12Å
109N94.6Very high97.8Very high96 Ų9635.2 Ų35.251%0.51320%0.197SC..THydrogen-bonded Turntrans46.234.6-179.8-79.11.6000114.3D107 E111 Q128 Q132D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact O-N 2.87Å; N109-E111 PolarHBondContact O-N 2.87Å; N109-Q128 PolarHBondContact OD1-NE2 3.11Å; N109-Q128 VanDerWaalsContact OD1-NE2 3.13Å; N109-Q132 WeakPolarHBondContact ND2-CG 3.47Å; N109-Q132 WeakPolarHBondContact OD1-CG 3.42Å
110H97.1Very high97.9Very high65 Ų6534.2 Ų34.230%0.30119%0.19SC..  trans-83.7103.1-175.5-174.8-116.4000110.6C77 N78 Q106 C108 A112 T113 A114C77-H110 WeakPolarHBondContact O-CB 3.47Å; N78-H110 WeakPolarHBondContact CA-ND1 3.49Å; N78-H110 HydrophobicContact CB-CB 3.74Å; Q106-H110 PolarHBondContact NE2-O 3.06Å; C108-H110 PolarHBondContact O-N 3.33Å; H110-A112 VanDerWaalsContact C-N 3.33Å; H110-A112 PolarHBondContact O-N 3.14Å; H110-T113 PolarHBondContact ND1-N 3.11Å; H110-T113 PolarHBondContact ND1-OG1 3.39Å; H110-T113 PolarHBondContact O-N 3.45Å; H110-A114 PolarHBondContact O-N 3.32Å
111E98.2Very high97.9Very high114 Ų11436.4 Ų36.453%0.53321%0.213SC..Hα-helixtrans-61.3-36.5-170.4-174.751.7-142.900113.5N109 T113 A114 S115 R118N109-E111 PolarHBondContact O-N 2.87Å; E111-T113 VanDerWaalsContact C-N 3.3Å; E111-T113 PolarHBondContact O-N 2.9Å; E111-A114 PolarHBondContact O-N 3.34Å; E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 2.95Å; E111-R118 IonicContact OE1-CZ 3.77Å; E111-R118 IonicContact OE1-NH1 2.72Å; E111-R118 PolarHBondContact OE1-NH1 2.85Å; E111-R118 IonicContact OE1-NH2 2.79Å; E111-R118 IonicContact OE2-NH1 3.54Å; E111-R118 IonicContact OE2-NH2 3.94Å; E111-R118 PolarHBondContact OE2-NH2 2.96Å
112A98.5Very high97.8Very high53 Ų5339.6 Ų39.644%0.43824%0.236SC..Hα-helixtrans-63.7-36.9176.300000112.1H110 V116H110-A112 VanDerWaalsContact C-N 3.33Å; H110-A112 PolarHBondContact O-N 3.14Å; A112-V116 WeakPolarHBondContact O-CG2 3.43Å; A112-V116 PolarHBondContact O-N 3.01Å
113T98.2Very high97.8Very high0 Ų043.4 Ų43.40%025%0.254CS..Hα-helixtrans-70.6-40.7173-64.70000110.9A76 N78 R79 P80 T83 Q106 H110 E111 S115 V116 I117A76-T113 HydrophobicContact CB-CG2 4.37Å; N78-T113 VanDerWaalsContact C-OG1 3.31Å; N78-T113 WeakPolarHBondContact CA-OG1 3.13Å; R79-T113 PolarHBondContact N-OG1 3.37Å; P80-T113 WeakPolarHBondContact CD-OG1 3.44Å; T83-T113 HydrophobicContact CG2-CG2 4.48Å; Q106-T113 HydrophobicContact CG-CG2 4.46Å; H110-T113 PolarHBondContact ND1-N 3.11Å; H110-T113 PolarHBondContact ND1-OG1 3.39Å; H110-T113 PolarHBondContact O-N 3.45Å; E111-T113 VanDerWaalsContact C-N 3.3Å; E111-T113 PolarHBondContact O-N 2.9Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 3.1Å; T113-V116 WeakPolarHBondContact O-CB 3.48Å; T113-V116 PolarHBondContact O-N 3.45Å; T113-I117 HydrophobicContact CG2-CD1 3.84Å; T113-I117 HydrophobicContact CG2-CG1 4.44Å; T113-I117 VanDerWaalsContact O-CG1 3.31Å; T113-I117 WeakPolarHBondContact O-CG1 3.13Å; T113-I117 PolarHBondContact O-N 3.06Å
114A98.6Very high97.8Very high1 Ų144.2 Ų44.21%0.00826%0.257CS..Hα-helixtrans-62.1-41.5177.600000111.9H110 E111 V116 I117 R118 F126H110-A114 PolarHBondContact O-N 3.32Å; E111-A114 PolarHBondContact O-N 3.34Å; A114-V116 PolarHBondContact O-N 3.16Å; A114-I117 PolarHBondContact O-N 3.48Å; A114-R118 WeakPolarHBondContact O-CB 3.46Å; A114-R118 VanDerWaalsContact O-CG 3.3Å; A114-R118 WeakPolarHBondContact O-CG 3Å; A114-R118 PolarHBondContact O-N 3.17Å; A114-F126 HydrophobicContact CB-CE1 4.4Å; A114-F126 HydrophobicContact CB-CZ 4.1Å
115S98.7Very high97.8Very high70 Ų7047.4 Ų47.449%0.4928%0.277SS..Hα-helixtrans-59.7-44.5174.7-177.70000112E111 T113 I117 R118 S119E111-S115 WeakPolarHBondContact O-CB 3.47Å; E111-S115 PolarHBondContact O-N 2.95Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 3.1Å; S115-I117 PolarHBondContact O-N 3.39Å; S115-R118 PolarHBondContact O-N 3.09Å; S115-S119 PolarHBondContact O-N 3.39Å
116V98.6Very high97.8Very high12 Ų1250 Ų507%0.07329%0.288CS..Hα-helixtrans-58.3-48.7173.1170.30000110.8P80 R84 A112 T113 A114 S119 Y120P80-V116 HydrophobicContact CB-CG2 3.82Å; R84-V116 HydrophobicContact CB-CG1 3.83Å; A112-V116 WeakPolarHBondContact O-CG2 3.43Å; A112-V116 PolarHBondContact O-N 3.01Å; T113-V116 WeakPolarHBondContact O-CB 3.48Å; T113-V116 PolarHBondContact O-N 3.45Å; A114-V116 PolarHBondContact O-N 3.16Å; V116-S119 WeakPolarHBondContact O-CB 3.39Å; V116-S119 PolarHBondContact O-N 3.49Å; V116-S119 PolarHBondContact O-OG 3.5Å; V116-Y120 HydrophobicContact CG1-CE2 4.14Å; V116-Y120 WeakPolarHBondContact O-CD2 3.38Å; V116-Y120 WeakPolarHBondContact O-CE2 3.28Å
117I98.7Very high97.8Very high0 Ų051.1 Ų51.10%029%0.294CS..Hα-helixtrans-63.7-48-177.9-63.9165.7000110.5A76 T83 V104 Q106 T113 A114 S115 S119 Y120 I124 F126A76-I117 HydrophobicContact CB-CD1 4.25Å; T83-I117 HydrophobicContact CG2-CD1 4.21Å; T83-I117 HydrophobicContact CG2-CG1 3.77Å; V104-I117 HydrophobicContact CB-CG2 3.88Å; V104-I117 HydrophobicContact CG1-CD1 3.69Å; V104-I117 HydrophobicContact CG1-CG1 3.97Å; V104-I117 HydrophobicContact CG1-CG2 3.9Å; V104-I117 HydrophobicContact CG2-CG2 4.34Å; Q106-I117 HydrophobicContact CB-CD1 3.98Å; Q106-I117 HydrophobicContact CG-CD1 4.29Å; T113-I117 HydrophobicContact CG2-CD1 3.84Å; T113-I117 HydrophobicContact CG2-CG1 4.44Å; T113-I117 VanDerWaalsContact O-CG1 3.31Å; T113-I117 WeakPolarHBondContact O-CG1 3.13Å; T113-I117 PolarHBondContact O-N 3.06Å; A114-I117 PolarHBondContact O-N 3.48Å; S115-I117 PolarHBondContact O-N 3.39Å; I117-S119 PolarHBondContact O-N 3.09Å; I117-Y120 PolarHBondContact O-N 2.96Å; I117-I124 HydrophobicContact CG2-CD1 3.4Å; I117-I124 VanDerWaalsContact CG2-CD1 3.4Å; I117-I124 WeakPolarHBondContact O-CD1 3.21Å; I117-F126 HydrophobicContact CB-CD2 4.26Å; I117-F126 HydrophobicContact CB-CE2 4.43Å; I117-F126 HydrophobicContact CD1-CD2 4.41Å; I117-F126 HydrophobicContact CD1-CE2 4.04Å; I117-F126 HydrophobicContact CG2-CB 3.95Å; I117-F126 HydrophobicContact CG2-CD2 3.42Å; I117-F126 VanDerWaalsContact CG2-CD2 3.42Å; I117-F126 HydrophobicContact CG2-CE2 4.03Å; I117-F126 HydrophobicContact CG2-CG 3.71Å
118R98.6Very high97.9Very high122 Ų12253.5 Ų53.546%0.4631%0.305SS..Hα-helixtrans-60.3-30178.1-68.3-177-155.9109.8-4.6112.8E111 A114 S115 Y120 G121 F126E111-R118 IonicContact OE1-CZ 3.77Å; E111-R118 IonicContact OE1-NH1 2.72Å; E111-R118 PolarHBondContact OE1-NH1 2.85Å; E111-R118 IonicContact OE1-NH2 2.79Å; E111-R118 IonicContact OE2-NH1 3.54Å; E111-R118 IonicContact OE2-NH2 3.94Å; E111-R118 PolarHBondContact OE2-NH2 2.96Å; A114-R118 WeakPolarHBondContact O-CB 3.46Å; A114-R118 VanDerWaalsContact O-CG 3.3Å; A114-R118 WeakPolarHBondContact O-CG 3Å; A114-R118 PolarHBondContact O-N 3.17Å; S115-R118 PolarHBondContact O-N 3.09Å; R118-Y120 PolarHBondContact O-N 3.4Å; R118-Y120 VanDerWaalsContact O-N 3.13Å; R118-G121 PolarHBondContact O-N 3.33Å; R118-F126 HydrophobicContact CG-CD1 3.73Å; R118-F126 HydrophobicContact CG-CE1 3.96Å
119S98.5Very high98Very high73 Ų7351.2 Ų51.251%0.5129%0.289SS..THydrogen-bonded Turntrans-62.2-18.3179.576.50000114.7S115 V116 I117 G121S115-S119 PolarHBondContact O-N 3.39Å; V116-S119 WeakPolarHBondContact O-CB 3.39Å; V116-S119 PolarHBondContact O-N 3.49Å; V116-S119 PolarHBondContact O-OG 3.5Å; I117-S119 PolarHBondContact O-N 3.09Å; S119-G121 VanDerWaalsContact C-N 3.29Å
120Y98.4Very high98.2Very high27 Ų2751 Ų5111%0.10629%0.294CS..THydrogen-bonded Turntrans-78.8-10.8174.9-69.4-84.8000113.7R84 L87 N88 L91 V116 I117 R118 S122 Q123R84-Y120 WeakPolarHBondContact CA-OH 3.35Å; R84-Y120 PolarHBondContact O-OH 3.06Å; L87-Y120 HydrophobicContact CB-CE1 4.05Å; L87-Y120 HydrophobicContact CB-CE2 3.9Å; L87-Y120 HydrophobicContact CD1-CD2 3.8Å; L87-Y120 HydrophobicContact CD1-CE2 3.53Å; L87-Y120 HydrophobicContact CG-CE2 4.38Å; N88-Y120 WeakPolarHBondContact OD1-CE1 3.26Å; N88-Y120 PolarHBondContact OD1-OH 2.92Å; L91-Y120 HydrophobicContact CD1-CD1 3.44Å; L91-Y120 VanDerWaalsContact CD1-CD1 3.44Å; L91-Y120 HydrophobicContact CD1-CE1 3.8Å; L91-Y120 HydrophobicContact CD1-CG 4.42Å; V116-Y120 HydrophobicContact CG1-CE2 4.14Å; V116-Y120 WeakPolarHBondContact O-CD2 3.38Å; V116-Y120 WeakPolarHBondContact O-CE2 3.28Å; I117-Y120 PolarHBondContact O-N 2.96Å; R118-Y120 PolarHBondContact O-N 3.4Å; R118-Y120 VanDerWaalsContact O-N 3.13Å; Y120-S122 PolarHBondContact O-N 2.99Å; Y120-Q123 WeakPolarHBondContact O-CB 3.16Å; Y120-Q123 WeakPolarHBondContact O-CG 3.47Å; Y120-Q123 PolarHBondContact O-N 2.94Å; Y120-Q123 VanDerWaalsContact O-N 3.16Å
121G97.5Very high98.2Very high47 Ų4751.3 Ų51.349%0.48530%0.297SS..G310 helixtrans52.2-130.6175.300000113R118 S119 Q123 I124R118-G121 PolarHBondContact O-N 3.33Å; S119-G121 VanDerWaalsContact C-N 3.29Å; G121-Q123 PolarHBondContact O-N 3.18Å; G121-Q123 VanDerWaalsContact O-N 3.12Å; G121-I124 PolarHBondContact O-N 2.66Å
122S96.8Very high98Very high91 Ų9148.6 Ų48.664%0.63629%0.285SS*.G310 helixtrans-71.5-2-175.568.40000114.8K97 Y120 I124K97-S122 WeakPolarHBondContact CE-O 3.46Å; K97-S122 PolarHBondContact NZ-O 3.23Å; Y120-S122 PolarHBondContact O-N 2.99Å; S122-I124 PolarHBondContact O-N 3.2Å
123Q97.9Very high97.8Very high82 Ų8250.1 Ų50.138%0.38329%0.288SS..G310 helixtrans-71.6-22.2176.6-64.9-65.5-63.400112.5L91 R94 Y120 G121L91-Q123 HydrophobicContact CD1-CB 4.1Å; L91-Q123 HydrophobicContact CD2-CB 4.27Å; R94-Q123 PolarHBondContact NH1-O 2.98Å; Y120-Q123 WeakPolarHBondContact O-CB 3.16Å; Y120-Q123 WeakPolarHBondContact O-CG 3.47Å; Y120-Q123 PolarHBondContact O-N 2.94Å; Y120-Q123 VanDerWaalsContact O-N 3.16Å; G121-Q123 PolarHBondContact O-N 3.18Å; G121-Q123 VanDerWaalsContact O-N 3.12Å
124I98.5Very high97.6Very high17 Ų1755.6 Ų55.69%0.08731%0.314CS..SBendtrans-137.4167.1-176.666.7156000111L91 V102 V104 I117 G121 S122L91-I124 HydrophobicContact CD2-CG2 4.42Å; V102-I124 HydrophobicContact CB-CB 4.45Å; V102-I124 HydrophobicContact CB-CG2 3.96Å; V102-I124 HydrophobicContact CG1-CB 4.31Å; V102-I124 HydrophobicContact CG1-CG2 3.71Å; V102-I124 CarbonylContact O-C 3.04Å; V102-I124 WeakPolarHBondContact O-CA 3.45Å; V104-I124 HydrophobicContact CB-CD1 4.17Å; V104-I124 HydrophobicContact CG2-CB 4.33Å; V104-I124 HydrophobicContact CG2-CD1 3.59Å; V104-I124 HydrophobicContact CG2-CG2 4.44Å; I117-I124 HydrophobicContact CG2-CD1 3.4Å; I117-I124 VanDerWaalsContact CG2-CD1 3.4Å; I117-I124 WeakPolarHBondContact O-CD1 3.21Å; G121-I124 PolarHBondContact O-N 2.66Å; S122-I124 PolarHBondContact O-N 3.2Å
125T98.5Very high97.3Very high67 Ų6756.9 Ų56.941%0.41132%0.323SS..EExtended strand (participates in β ladder)trans-106126.4163.2-60.50000109V102 V103 V104 L127 M165V102-T125 PolarHBondContact O-N 2.9Å; V103-T125 CarbonylContact C-O 3.5Å; V103-T125 WeakPolarHBondContact CA-O 3.29Å; V104-T125 PolarHBondContact N-O 2.91Å; T125-L127 HydrophobicContact CG2-CD2 4.41Å; T125-M165 HydrophobicContact CG2-CE 3.8Å
126F98.6Very high96.9Very high55 Ų5561.9 Ų61.924%0.24134%0.344CS..EExtended strand (participates in β ladder)trans-98.3126.3178.2176.2-141.8000111.4Q106 A114 I117 R118 Q128Q106-F126 HydrophobicContact CB-CE2 3.64Å; Q106-F126 HydrophobicContact CB-CZ 4.3Å; Q106-F126 VanDerWaalsContact OE1-CZ 3.3Å; A114-F126 HydrophobicContact CB-CE1 4.4Å; A114-F126 HydrophobicContact CB-CZ 4.1Å; I117-F126 HydrophobicContact CB-CD2 4.26Å; I117-F126 HydrophobicContact CB-CE2 4.43Å; I117-F126 HydrophobicContact CD1-CD2 4.41Å; I117-F126 HydrophobicContact CD1-CE2 4.04Å; I117-F126 HydrophobicContact CG2-CB 3.95Å; I117-F126 HydrophobicContact CG2-CD2 3.42Å; I117-F126 VanDerWaalsContact CG2-CD2 3.42Å; I117-F126 HydrophobicContact CG2-CE2 4.03Å; I117-F126 HydrophobicContact CG2-CG 3.71Å; R118-F126 HydrophobicContact CG-CD1 3.73Å; R118-F126 HydrophobicContact CG-CE1 3.96Å; F126-Q128 HydrophobicContact CZ-CB 4.28Å
127L98.6Very high96.5Very high23 Ų2362.9 Ų62.912%0.1235%0.349CS..EExtended strand (participates in β ladder)trans-117.8129.7173.3-61.4-177.1000110.1V103 V104 S105 Q106 T125 W156 Q160 M165V103-L127 HydrophobicContact CG1-CD1 3.53Å; V103-L127 HydrophobicContact CG1-CG 3.83Å; V104-L127 PolarHBondContact O-N 2.96Å; S105-L127 WeakPolarHBondContact CA-O 3.21Å; Q106-L127 PolarHBondContact N-O 3Å; T125-L127 HydrophobicContact CG2-CD2 4.41Å; L127-W156 HydrophobicContact CB-CH2 3.89Å; L127-W156 HydrophobicContact CB-CZ3 4.06Å; L127-Q160 HydrophobicContact CD1-CB 3.71Å; L127-Q160 HydrophobicContact CD1-CG 4.15Å; L127-M165 HydrophobicContact CD1-CE 3.77Å; L127-M165 HydrophobicContact CD2-CE 3.77Å; L127-M165 HydrophobicContact CG-CE 4.09Å
128Q98.2Very high96Very high57 Ų5767.5 Ų67.527%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-104.2122.2171.4-179.559.96000109Q106 N109 F126 P130 W156Q106-Q128 PolarHBondContact O-NE2 3.01Å; N109-Q128 PolarHBondContact OD1-NE2 3.11Å; N109-Q128 VanDerWaalsContact OD1-NE2 3.13Å; F126-Q128 HydrophobicContact CZ-CB 4.28Å; Q128-P130 WeakPolarHBondContact O-CD 3.41Å; Q128-W156 WeakPolarHBondContact O-CH2 3.34Å
129Q97.7Very high95.4Very high3 Ų371 Ų711%0.01440%0.395CS..  trans-62.2125176.1-162.7-78.34.800108.8Q106 D107 N131 Q132 W156Q106-Q129 WeakPolarHBondContact O-CB 3.24Å; Q106-Q129 PolarHBondContact O-N 3.49Å; D107-Q129 HydrophobicContact CB-CB 4.49Å; Q129-N131 PolarHBondContact NE2-O 3.11Å; Q129-N131 VanDerWaalsContact NE2-O 3.08Å; Q129-N131 VanDerWaalsContact OE1-CA 3.3Å; Q129-N131 PolarHBondContact OE1-O 2.91Å; Q129-Q132 PolarHBondContact O-NE2 3.32Å; Q129-W156 VanDerWaalsContact CA-CZ3 3.46Å; Q129-W156 HydrophobicContact CB-CE3 3.88Å; Q129-W156 HydrophobicContact CB-CZ3 3.93Å; Q129-W156 HydrophobicContact CG-CD2 4.07Å; Q129-W156 HydrophobicContact CG-CE3 3.7Å; Q129-W156 HydrophobicContact CG-CG 4.41Å; Q129-W156 HydrophobicContact CG-CZ3 4.28Å
130P97.4Very high94.7Very high93 Ų9375.8 Ų75.860%0.60441%0.407SS*.SBendtrans-82.9-28.5-169.830.1-36000113.9Q128 Q132 W156Q128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-Q132 PolarHBondContact O-N 3.46Å; P130-W156 VanDerWaalsContact CD-CZ2 3.42Å; P130-W156 HydrophobicContact CG-CZ2 4.2Å
131N96.9Very high94.1Very high71 Ų7177.2 Ų77.238%0.3842%0.415SS..  trans-92.494-178-178.8-7.1000111.9Q129 T133 R152Q129-N131 PolarHBondContact NE2-O 3.11Å; Q129-N131 VanDerWaalsContact NE2-O 3.08Å; Q129-N131 VanDerWaalsContact OE1-CA 3.3Å; Q129-N131 PolarHBondContact OE1-O 2.91Å; N131-T133 WeakPolarHBondContact OD1-CB 3.18Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.38Å; N131-T133 PolarHBondContact OD1-N 2.84Å; N131-T133 VanDerWaalsContact OD1-N 3.13Å; N131-T133 PolarHBondContact OD1-OG1 2.86Å; N131-R152 PolarHBondContact O-NE 2.84Å; N131-R152 VanDerWaalsContact O-NE 3.09Å; N131-R152 PolarHBondContact O-NH2 3.42Å
132Q94.7Very high93.6Very high56 Ų5681.4 Ų81.426%0.26242%0.42SS..  trans-9612.2-179.4-60.6-66.3-44.300113.6D107 C108 N109 Q129 P130D107-Q132 PolarHBondContact OD1-NE2 3.03Å; D107-Q132 PolarHBondContact OD1-OE1 3.25Å; C108-Q132 VanDerWaalsContact N-OE1 3.12Å; N109-Q132 WeakPolarHBondContact ND2-CG 3.47Å; N109-Q132 WeakPolarHBondContact OD1-CG 3.42Å; Q129-Q132 PolarHBondContact O-NE2 3.32Å; P130-Q132 PolarHBondContact O-N 3.46Å
133T95.2Very high93Very high85 Ų8582.4 Ų82.452%0.52141%0.413SS..PPolyproline II helixtrans-68154.5-176.862.40000112.1N131 R152N131-T133 WeakPolarHBondContact OD1-CB 3.18Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.38Å; N131-T133 PolarHBondContact OD1-N 2.84Å; N131-T133 VanDerWaalsContact OD1-N 3.13Å; N131-T133 PolarHBondContact OD1-OG1 2.86Å; T133-R152 PolarHBondContact O-NH1 3.14Å; T133-R152 PolarHBondContact O-NH2 2.79Å
134E93Very high92.4Very high115 Ų11579.2 Ų79.254%0.53740%0.398SS..PPolyproline II helixtrans-74.8135.9171.2-74.7-60.6154.300110.9N136 K149E134-N136 PolarHBondContact O-N 3.42Å; E134-K149 VanDerWaalsContact CD-NZ 3.33Å; E134-K149 WeakPolarHBondContact OE1-CE 3.27Å; E134-K149 IonicContact OE1-NZ 2.75Å; E134-K149 PolarHBondContact OE1-NZ 3.02Å; E134-K149 WeakPolarHBondContact OE2-CE 3.21Å; E134-K149 IonicContact OE2-NZ 2.65Å; E134-K149 PolarHBondContact OE2-NZ 2.81Å
135P91.4Very high92Very high29 Ų2980 Ų8019%0.18841%0.405CS..PPolyproline II helixtrans-62.1135.2173.6-20.231.7000111.7L137 Y148 K149P135-L137 HydrophobicContact CB-CD1 4.05Å; P135-L137 HydrophobicContact CB-CD2 4.42Å; P135-L137 HydrophobicContact CB-CG 3.93Å; P135-L137 PolarHBondContact O-N 3.04Å; P135-Y148 HydrophobicContact CB-CG 4.33Å; P135-K149 HydrophobicContact CG-CG 4.05Å
136N91.4Very high91.6Very high175 Ų17577.7 Ų77.794%0.93639%0.394SS*.  trans-71.689.9176.5-74.4-27.3000110.8E134E134-N136 PolarHBondContact O-N 3.42Å
137L90.5Very high91.1Very high33 Ų3375.8 Ų75.817%0.17339%0.386CS..  trans-119.3147.9-174.5-61.3175.6000112.7P135 M141 K142 Y148P135-L137 HydrophobicContact CB-CD1 4.05Å; P135-L137 HydrophobicContact CB-CD2 4.42Å; P135-L137 HydrophobicContact CB-CG 3.93Å; P135-L137 PolarHBondContact O-N 3.04Å; L137-M141 HydrophobicContact CB-CB 4.02Å; L137-M141 HydrophobicContact CD2-CB 4.41Å; L137-K142 HydrophobicContact CB-CG 4.47Å; L137-Y148 HydrophobicContact CD1-CD2 3.75Å; L137-Y148 HydrophobicContact CD1-CE2 3.95Å; L137-Y148 HydrophobicContact CD1-CG 4.28Å; L137-Y148 HydrophobicContact CD2-CD1 4.03Å; L137-Y148 HydrophobicContact CD2-CD2 4.05Å; L137-Y148 HydrophobicContact CD2-CE1 3.73Å; L137-Y148 HydrophobicContact CD2-CE2 3.73Å; L137-Y148 HydrophobicContact CD2-CG 4.2Å
138T88.1Confident90.8Very high96 Ų9676.7 Ų76.759%0.58939%0.388SS*.  trans-61.4156.917065.90000111.1K140 M141 K142T138-K140 PolarHBondContact O-N 3.48Å; T138-K140 VanDerWaalsContact O-N 3.09Å; T138-M141 PolarHBondContact O-N 3.32Å; T138-M141 WeakPolarHBondContact OG1-CG 3.23Å; T138-K142 PolarHBondContact O-N 3Å
139K86.2Confident90.6Very high196 Ų19676.4 Ų76.485%0.85239%0.386SS*.THydrogen-bonded Turntrans-51-38.4179.2-69.8-175.7-177.8178.50112.8M141K139-M141 VanDerWaalsContact C-N 3.34Å; K139-M141 PolarHBondContact O-N 2.86Å
140K84.2Confident90.4Very high173 Ų17377.7 Ų77.775%0.75239%0.393SS*.THydrogen-bonded Turntrans-67.5-32.2178.2-67.1-176.6-179.7178.40113T138 K143T138-K140 PolarHBondContact O-N 3.48Å; T138-K140 VanDerWaalsContact O-N 3.09Å; K140-K143 WeakPolarHBondContact O-CE 3.41Å
141M85.9Confident90.2Very high57 Ų5773.3 Ų73.328%0.28136%0.364SS..THydrogen-bonded Turntrans-92.2-15.3-176.4-65.9-57.8-72.200113.7L137 T138 K139 K143 F144 Y148 F270L137-M141 HydrophobicContact CB-CB 4.02Å; L137-M141 HydrophobicContact CD2-CB 4.41Å; T138-M141 PolarHBondContact O-N 3.32Å; T138-M141 WeakPolarHBondContact OG1-CG 3.23Å; K139-M141 VanDerWaalsContact C-N 3.34Å; K139-M141 PolarHBondContact O-N 2.86Å; M141-K143 PolarHBondContact O-N 2.86Å; M141-K143 VanDerWaalsContact O-N 3.1Å; M141-F144 HydrophobicContact CE-CD2 3.83Å; M141-F144 WeakPolarHBondContact O-CA 3.45Å; M141-F144 WeakPolarHBondContact O-CB 3.25Å; M141-F144 PolarHBondContact O-N 3.29Å; M141-F144 HydrophobicContact SD-CD2 3.79Å; M141-F144 HydrophobicContact SD-CE2 4.13Å; M141-Y148 HydrophobicContact CE-CE2 4.27Å; M141-Y148 WeakPolarHBondContact CE-OH 3.48Å; M141-F270 HydrophobicContact CE-CE2 4.31Å
142K86.1Confident90.1Very high135 Ų13572.1 Ų72.159%0.58735%0.354SS*.G310 helixtrans-52.3-35.2179.5-77.6-166.8175.4-169.10114.1L137 T138 F144 S145L137-K142 HydrophobicContact CB-CG 4.47Å; T138-K142 PolarHBondContact O-N 3Å; K142-F144 PolarHBondContact O-N 3.3Å; K142-F144 VanDerWaalsContact O-N 3.09Å; K142-S145 WeakPolarHBondContact O-CB 3.43Å; K142-S145 PolarHBondContact O-N 3.24Å; K142-S145 VanDerWaalsContact O-N 3.11Å; K142-S145 PolarHBondContact O-OG 3.33Å
143K84Confident90.2Very high112 Ų11270 Ų7049%0.48734%0.344SS..G310 helixtrans-62.9-12.7175.556.9168.1166.6171.70114.5K140 M141 I242K140-K143 WeakPolarHBondContact O-CE 3.41Å; M141-K143 PolarHBondContact O-N 2.86Å; M141-K143 VanDerWaalsContact O-N 3.1Å; K143-I242 PolarHBondContact NZ-O 3.24Å
144F86.2Confident90.3Very high15 Ų1566 Ų667%0.06632%0.32CS..G310 helixtrans-107.58179.7-54.7-44.8000112.7M141 K142 G146 Y147 Y148 I242 I244 F270M141-F144 HydrophobicContact CE-CD2 3.83Å; M141-F144 WeakPolarHBondContact O-CA 3.45Å; M141-F144 WeakPolarHBondContact O-CB 3.25Å; M141-F144 PolarHBondContact O-N 3.29Å; M141-F144 HydrophobicContact SD-CD2 3.79Å; M141-F144 HydrophobicContact SD-CE2 4.13Å; K142-F144 PolarHBondContact O-N 3.3Å; K142-F144 VanDerWaalsContact O-N 3.09Å; F144-G146 PolarHBondContact O-N 2.96Å; F144-G146 VanDerWaalsContact O-N 3.08Å; F144-Y147 HydrophobicContact CB-CD2 3.93Å; F144-Y147 HydrophobicContact CD1-CD2 4.23Å; F144-Y147 HydrophobicContact CD1-CE2 4.05Å; F144-Y147 HydrophobicContact CG-CD2 4.47Å; F144-Y147 PolarHBondContact O-N 3.43Å; F144-Y148 WeakPolarHBondContact O-CD2 3.47Å; F144-I242 HydrophobicContact CZ-CG2 3.92Å; F144-I244 HydrophobicContact CD1-CB 3.92Å; F144-I244 HydrophobicContact CD1-CD1 3.55Å; F144-I244 HydrophobicContact CD1-CG1 3.95Å; F144-I244 HydrophobicContact CD1-CG2 4.14Å; F144-I244 HydrophobicContact CD2-CD1 3.68Å; F144-I244 HydrophobicContact CE1-CB 3.39Å; F144-I244 HydrophobicContact CE1-CD1 3.21Å; F144-I244 HydrophobicContact CE1-CG1 3.21Å; F144-I244 HydrophobicContact CE1-CG2 4.12Å; F144-I244 HydrophobicContact CE2-CD1 3.3Å; F144-I244 HydrophobicContact CE2-CG1 4.04Å; F144-I244 HydrophobicContact CG-CD1 3.79Å; F144-I244 HydrophobicContact CZ-CB 3.99Å; F144-I244 HydrophobicContact CZ-CD1 3.04Å; F144-I244 HydrophobicContact CZ-CG1 3.24Å; F144-F270 HydrophobicContact CB-CZ 3.93Å; F144-F270 HydrophobicContact CG-CZ 4.17Å
145S89.7Confident90.5Very high33 Ų3366.5 Ų66.523%0.23132%0.317CS..Hα-helixtrans-51.7-35.8-17960.70000113.1K142 Y147 Y148 K149K142-S145 WeakPolarHBondContact O-CB 3.43Å; K142-S145 PolarHBondContact O-N 3.24Å; K142-S145 VanDerWaalsContact O-N 3.11Å; K142-S145 PolarHBondContact O-OG 3.33Å; S145-Y147 VanDerWaalsContact C-N 3.28Å; S145-Y147 PolarHBondContact O-N 3.31Å; S145-Y148 PolarHBondContact O-N 3.44Å; S145-Y148 VanDerWaalsContact O-N 3.09Å; S145-K149 WeakPolarHBondContact O-CG 3.02Å; S145-K149 PolarHBondContact O-N 2.85Å
146G89.2Confident90.9Very high19 Ų1967.7 Ų67.720%0.19632%0.317CS..Hα-helixtrans-53.3-41.417500000113.5F144 Y148 K149 I150F144-G146 PolarHBondContact O-N 2.96Å; F144-G146 VanDerWaalsContact O-N 3.08Å; G146-Y148 VanDerWaalsContact C-N 3.31Å; G146-Y148 PolarHBondContact O-N 3.45Å; G146-K149 PolarHBondContact O-N 3.01Å; G146-I150 WeakPolarHBondContact O-CB 3.45Å; G146-I150 WeakPolarHBondContact O-CD1 3.33Å; G146-I150 WeakPolarHBondContact O-CG1 3.48Å; G146-I150 PolarHBondContact O-N 2.95Å
147Y87.7Confident91.2Very high15 Ų1559.4 Ų59.46%0.05927%0.273CS..Hα-helixtrans-68.3-30.6179.8-61.4-65.2000113F144 S145 A151 I244 A246 F270 V304F144-Y147 HydrophobicContact CB-CD2 3.93Å; F144-Y147 HydrophobicContact CD1-CD2 4.23Å; F144-Y147 HydrophobicContact CD1-CE2 4.05Å; F144-Y147 HydrophobicContact CG-CD2 4.47Å; F144-Y147 PolarHBondContact O-N 3.43Å; S145-Y147 VanDerWaalsContact C-N 3.28Å; S145-Y147 PolarHBondContact O-N 3.31Å; Y147-A151 WeakPolarHBondContact O-CB 3.21Å; Y147-A151 PolarHBondContact O-N 3.29Å; Y147-A151 VanDerWaalsContact O-N 3.1Å; Y147-I244 HydrophobicContact CD2-CG2 4.2Å; Y147-I244 HydrophobicContact CE2-CB 4.41Å; Y147-I244 HydrophobicContact CE2-CG2 3.42Å; Y147-I244 VanDerWaalsContact CE2-CG2 3.42Å; Y147-A246 HydrophobicContact CD1-CB 3.83Å; Y147-A246 HydrophobicContact CE1-CB 3.19Å; Y147-A246 PolarHBondContact OH-N 3.44Å; Y147-F270 HydrophobicContact CD1-CD1 4.43Å; Y147-F270 HydrophobicContact CD1-CE1 4.32Å; Y147-F270 HydrophobicContact CD2-CD1 4.33Å; Y147-F270 AromaticContact CD2-CE1 3.48Å; Y147-F270 HydrophobicContact CD2-CE1 3.48Å; Y147-F270 VanDerWaalsContact CD2-CE1 3.48Å; Y147-F270 AromaticContact CD2-CZ 3.84Å; Y147-F270 HydrophobicContact CD2-CZ 3.84Å; Y147-F270 HydrophobicContact CE2-CE1 4.06Å; Y147-F270 HydrophobicContact CG-CD1 4.01Å; Y147-F270 AromaticContact CG-CE1 3.61Å; Y147-F270 HydrophobicContact CG-CE1 3.61Å; Y147-F270 HydrophobicContact CG-CZ 4.15Å; Y147-V304 HydrophobicContact CD1-CG2 4.39Å; Y147-V304 HydrophobicContact CE1-CB 4.26Å; Y147-V304 HydrophobicContact CE1-CG2 3.74Å
148Y93.1Very high91.6Very high42 Ų4257.8 Ų57.817%0.16527%0.265CS..Hα-helixtrans-75.5-40.8175.2-71.1-99.2000111.6P135 L137 M141 F144 S145 G146 I150 A151 R152 T268 F270P135-Y148 HydrophobicContact CB-CG 4.33Å; L137-Y148 HydrophobicContact CD1-CD2 3.75Å; L137-Y148 HydrophobicContact CD1-CE2 3.95Å; L137-Y148 HydrophobicContact CD1-CG 4.28Å; L137-Y148 HydrophobicContact CD2-CD1 4.03Å; L137-Y148 HydrophobicContact CD2-CD2 4.05Å; L137-Y148 HydrophobicContact CD2-CE1 3.73Å; L137-Y148 HydrophobicContact CD2-CE2 3.73Å; L137-Y148 HydrophobicContact CD2-CG 4.2Å; M141-Y148 HydrophobicContact CE-CE2 4.27Å; M141-Y148 WeakPolarHBondContact CE-OH 3.48Å; F144-Y148 WeakPolarHBondContact O-CD2 3.47Å; S145-Y148 PolarHBondContact O-N 3.44Å; S145-Y148 VanDerWaalsContact O-N 3.09Å; G146-Y148 VanDerWaalsContact C-N 3.31Å; G146-Y148 PolarHBondContact O-N 3.45Å; Y148-I150 VanDerWaalsContact C-N 3.35Å; Y148-A151 PolarHBondContact O-N 3.47Å; Y148-R152 WeakPolarHBondContact O-CB 3.46Å; Y148-R152 PolarHBondContact O-N 2.72Å; Y148-T268 VanDerWaalsContact CA-O 3.28Å; Y148-T268 WeakPolarHBondContact CA-O 3.3Å; Y148-T268 WeakPolarHBondContact CD1-O 3.47Å; Y148-F270 AromaticContact CE2-CE2 3.88Å; Y148-F270 HydrophobicContact CE2-CE2 3.88Å
149K94.3Very high92.1Very high52 Ų5255.1 Ų55.123%0.22625%0.247CC..Hα-helixtrans-60.3-46174.1-67.1-177.3177.9-1730111.2E134 P135 S145 G146 R152 H153E134-K149 VanDerWaalsContact CD-NZ 3.33Å; E134-K149 WeakPolarHBondContact OE1-CE 3.27Å; E134-K149 IonicContact OE1-NZ 2.75Å; E134-K149 PolarHBondContact OE1-NZ 3.02Å; E134-K149 WeakPolarHBondContact OE2-CE 3.21Å; E134-K149 IonicContact OE2-NZ 2.65Å; E134-K149 PolarHBondContact OE2-NZ 2.81Å; P135-K149 HydrophobicContact CG-CG 4.05Å; S145-K149 WeakPolarHBondContact O-CG 3.02Å; S145-K149 PolarHBondContact O-N 2.85Å; G146-K149 PolarHBondContact O-N 3.01Å; K149-R152 WeakPolarHBondContact O-CB 3.48Å; K149-R152 PolarHBondContact O-N 2.91Å; K149-H153 WeakPolarHBondContact O-CB 3.41Å; K149-H153 PolarHBondContact O-N 3.02Å
150I92.5Very high92.7Very high30 Ų3047.9 Ų47.915%0.15422%0.216CC..Hα-helixtrans-59.5-50.3175.9-71.5165.9000111.2G146 Y148 R152 H153 Y154 L248 V304G146-I150 WeakPolarHBondContact O-CB 3.45Å; G146-I150 WeakPolarHBondContact O-CD1 3.33Å; G146-I150 WeakPolarHBondContact O-CG1 3.48Å; G146-I150 PolarHBondContact O-N 2.95Å; Y148-I150 VanDerWaalsContact C-N 3.35Å; I150-R152 VanDerWaalsContact C-N 3.29Å; I150-R152 PolarHBondContact O-N 2.9Å; I150-H153 WeakPolarHBondContact O-CB 3.42Å; I150-H153 PolarHBondContact O-N 3.25Å; I150-Y154 HydrophobicContact CG2-CD2 3.75Å; I150-Y154 HydrophobicContact CG2-CE2 3.81Å; I150-Y154 WeakPolarHBondContact O-CD2 2.84Å; I150-Y154 PolarHBondContact O-N 3.29Å; I150-L248 HydrophobicContact CD1-CD1 4.47Å; I150-L248 HydrophobicContact CG2-CD1 4.04Å; I150-L248 HydrophobicContact CG2-CD2 3.5Å; I150-L248 VanDerWaalsContact CG2-CD2 3.5Å; I150-L248 HydrophobicContact CG2-CG 4.35Å; I150-V304 HydrophobicContact CD1-CB 4.44Å; I150-V304 HydrophobicContact CD1-CG1 3.8Å; I150-V304 HydrophobicContact CD1-CG2 3.88Å
151A94.1Very high93.4Very high0 Ų039.7 Ų39.70%018%0.18CC..Hα-helixtrans-60.4-39.7179.800000112.5Y147 Y148 R155 W266 W271Y147-A151 WeakPolarHBondContact O-CB 3.21Å; Y147-A151 PolarHBondContact O-N 3.29Å; Y147-A151 VanDerWaalsContact O-N 3.1Å; Y148-A151 PolarHBondContact O-N 3.47Å; A151-R155 PolarHBondContact O-N 3.26Å; A151-R155 VanDerWaalsContact O-N 3.11Å; A151-W266 PolarHBondContact O-NE1 2.58Å; A151-W271 HydrophobicContact CB-CB 4.22Å
152R95.8Very high93.9Very high47 Ų4737 Ų3718%0.17717%0.167CC..Hα-helixtrans-62-42.8172.4177.7-17665.3-158.22.4112.1N131 T133 Y148 K149 I150 W156N131-R152 PolarHBondContact O-NE 2.84Å; N131-R152 VanDerWaalsContact O-NE 3.09Å; N131-R152 PolarHBondContact O-NH2 3.42Å; T133-R152 PolarHBondContact O-NH1 3.14Å; T133-R152 PolarHBondContact O-NH2 2.79Å; Y148-R152 WeakPolarHBondContact O-CB 3.46Å; Y148-R152 PolarHBondContact O-N 2.72Å; K149-R152 WeakPolarHBondContact O-CB 3.48Å; K149-R152 PolarHBondContact O-N 2.91Å; I150-R152 VanDerWaalsContact C-N 3.29Å; I150-R152 PolarHBondContact O-N 2.9Å; R152-W156 WeakPolarHBondContact O-CB 3.43Å; R152-W156 PolarHBondContact O-N 3.44Å; R152-W156 VanDerWaalsContact O-N 3.14Å
153H96.4Very high94.5Very high10 Ų1033.3 Ų33.35%0.04615%0.154CC..Hα-helixtrans-64.8-47.8179.5-176.3-162.9000111.5F75 A76 S105 D107 K149 I150 R155 W156 A157F75-H153 AromaticContact CD1-CE1 3.48Å; F75-H153 VanDerWaalsContact CD1-CE1 3.48Å; F75-H153 WeakPolarHBondContact CD1-CE1 3.43Å; F75-H153 AromaticContact CD1-CG 3.97Å; F75-H153 AromaticContact CD1-ND1 3.57Å; F75-H153 AromaticContact CD1-NE2 3.78Å; F75-H153 AromaticContact CE1-CD2 3.98Å; A76-H153 PolarHBondContact O-CE1 3.26Å; S105-H153 PolarHBondContact O-CE1 3.26Å; S105-H153 PolarHBondContact O-NE2 2.93Å; S105-H153 PolarHBondContact OG-NE2 3.42Å; D107-H153 HydrophobicContact CB-CB 4.41Å; D107-H153 WeakPolarHBondContact CB-ND1 3.42Å; D107-H153 PolarHBondContact N-CE1 3.05Å; K149-H153 WeakPolarHBondContact O-CB 3.41Å; K149-H153 PolarHBondContact O-N 3.02Å; I150-H153 WeakPolarHBondContact O-CB 3.42Å; I150-H153 PolarHBondContact O-N 3.25Å; H153-R155 PolarHBondContact O-N 3.16Å; H153-W156 PolarHBondContact O-N 3.33Å; H153-A157 VanDerWaalsContact O-CB 3.31Å; H153-A157 WeakPolarHBondContact O-CB 3.45Å; H153-A157 PolarHBondContact O-N 3.17Å
154Y96.9Very high95.2Very high3 Ų333 Ų331%0.01216%0.161CC..Hα-helixtrans-57-48.9176.5-90.5-106.3000112.1F75 I150 W156 A157 L158 V172 E174 L248 W271F75-Y154 AromaticContact CD1-CD2 3.96Å; F75-Y154 HydrophobicContact CD1-CD2 3.96Å; F75-Y154 AromaticContact CD1-CE2 3.82Å; F75-Y154 HydrophobicContact CD1-CE2 3.82Å; F75-Y154 HydrophobicContact CD1-CG 4.5Å; F75-Y154 HydrophobicContact CD2-CE1 4.03Å; F75-Y154 HydrophobicContact CD2-CE2 4.23Å; F75-Y154 AromaticContact CD2-CZ 3.82Å; F75-Y154 HydrophobicContact CE1-CD1 4.25Å; F75-Y154 AromaticContact CE1-CD2 3.71Å; F75-Y154 HydrophobicContact CE1-CD2 3.71Å; F75-Y154 AromaticContact CE1-CE2 4Å; F75-Y154 HydrophobicContact CE1-CE2 4Å; F75-Y154 AromaticContact CE1-CG 3.85Å; F75-Y154 HydrophobicContact CE1-CG 3.85Å; F75-Y154 AromaticContact CE2-CD1 3.89Å; F75-Y154 HydrophobicContact CE2-CD1 3.89Å; F75-Y154 AromaticContact CE2-CE1 3.68Å; F75-Y154 HydrophobicContact CE2-CE1 3.68Å; F75-Y154 HydrophobicContact CE2-CE2 4.36Å; F75-Y154 HydrophobicContact CE2-CG 4.33Å; F75-Y154 AromaticContact CE2-CZ 3.93Å; F75-Y154 AromaticContact CG-CE2 3.96Å; F75-Y154 HydrophobicContact CG-CE2 3.96Å; F75-Y154 AromaticContact CG-CZ 3.99Å; F75-Y154 AromaticContact CZ-CD1 3.69Å; F75-Y154 HydrophobicContact CZ-CD1 3.69Å; F75-Y154 HydrophobicContact CZ-CD2 4.02Å; F75-Y154 AromaticContact CZ-CE1 3.95Å; F75-Y154 HydrophobicContact CZ-CE1 3.95Å; F75-Y154 HydrophobicContact CZ-CE2 4.25Å; F75-Y154 AromaticContact CZ-CG 3.74Å; F75-Y154 HydrophobicContact CZ-CG 3.74Å; I150-Y154 HydrophobicContact CG2-CD2 3.75Å; I150-Y154 HydrophobicContact CG2-CE2 3.81Å; I150-Y154 WeakPolarHBondContact O-CD2 2.84Å; I150-Y154 PolarHBondContact O-N 3.29Å; Y154-W156 PolarHBondContact O-N 2.92Å; Y154-A157 PolarHBondContact O-N 3.03Å; Y154-L158 WeakPolarHBondContact O-CB 3.31Å; Y154-L158 VanDerWaalsContact O-CG 3.3Å; Y154-L158 WeakPolarHBondContact O-CG 3.22Å; Y154-L158 PolarHBondContact O-N 3.16Å; Y154-V172 HydrophobicContact CE1-CG1 3.83Å; Y154-E174 PolarHBondContact OH-OE1 2.87Å; Y154-L248 HydrophobicContact CE2-CD1 3.96Å; Y154-L248 HydrophobicContact CE2-CD2 3.88Å; Y154-L248 HydrophobicContact CE2-CG 4.45Å; Y154-W271 AromaticContact CD1-CE2 3.77Å; Y154-W271 HydrophobicContact CD1-CH2 4.18Å; Y154-W271 AromaticContact CD1-CZ2 3.57Å; Y154-W271 HydrophobicContact CD1-CZ2 3.57Å; Y154-W271 HydrophobicContact CD2-CZ2 4.49Å; Y154-W271 AromaticContact CD2-NE1 3.69Å; Y154-W271 AromaticContact CE1-CE2 3.91Å; Y154-W271 AromaticContact CE1-CH2 3.91Å; Y154-W271 HydrophobicContact CE1-CH2 3.91Å; Y154-W271 AromaticContact CE1-CZ2 3.28Å; Y154-W271 HydrophobicContact CE1-CZ2 3.28Å; Y154-W271 HydrophobicContact CE2-CZ2 4.27Å; Y154-W271 AromaticContact CE2-NE1 3.97Å; Y154-W271 AromaticContact CG-CE2 3.94Å; Y154-W271 HydrophobicContact CG-CZ2 4.18Å; Y154-W271 AromaticContact CG-NE1 3.71Å; Y154-W271 AromaticContact CZ-CZ2 3.68Å
155R97.7Very high95.8Very high125 Ų12535.3 Ų35.347%0.47217%0.173SC..Hα-helixtrans-55-54.7178-175179.5174-160.2-1.7111.8A151 H153 A157 L158 D159 W259 W266A151-R155 PolarHBondContact O-N 3.26Å; A151-R155 VanDerWaalsContact O-N 3.11Å; H153-R155 PolarHBondContact O-N 3.16Å; R155-A157 PolarHBondContact O-N 3.27Å; R155-L158 PolarHBondContact O-N 3.37Å; R155-D159 PolarHBondContact O-N 2.71Å; R155-W259 HydrophobicContact CB-CH2 4.39Å; R155-W259 HydrophobicContact CG-CH2 4.14Å; R155-W259 HydrophobicContact CG-CZ2 4.26Å; R155-W259 WeakPolarHBondContact O-CZ2 3.3Å; R155-W266 HydrophobicContact CB-CG 4.14Å; R155-W266 HydrophobicContact CG-CB 4.48Å; R155-W266 HydrophobicContact CG-CG 4.22Å
156W98.4Very high96.1Very high54 Ų5435.6 Ų35.621%0.20518%0.181CC..Hα-helixtrans-62.2-45.5-176.6177.577.4000111.8S105 L127 Q128 Q129 P130 R152 H153 Y154 D159 Q160S105-W156 WeakPolarHBondContact OG-CZ3 3.15Å; L127-W156 HydrophobicContact CB-CH2 3.89Å; L127-W156 HydrophobicContact CB-CZ3 4.06Å; Q128-W156 WeakPolarHBondContact O-CH2 3.34Å; Q129-W156 VanDerWaalsContact CA-CZ3 3.46Å; Q129-W156 HydrophobicContact CB-CE3 3.88Å; Q129-W156 HydrophobicContact CB-CZ3 3.93Å; Q129-W156 HydrophobicContact CG-CD2 4.07Å; Q129-W156 HydrophobicContact CG-CE3 3.7Å; Q129-W156 HydrophobicContact CG-CG 4.41Å; Q129-W156 HydrophobicContact CG-CZ3 4.28Å; P130-W156 VanDerWaalsContact CD-CZ2 3.42Å; P130-W156 HydrophobicContact CG-CZ2 4.2Å; R152-W156 WeakPolarHBondContact O-CB 3.43Å; R152-W156 PolarHBondContact O-N 3.44Å; R152-W156 VanDerWaalsContact O-N 3.14Å; H153-W156 PolarHBondContact O-N 3.33Å; Y154-W156 PolarHBondContact O-N 2.92Å; W156-D159 PolarHBondContact O-N 2.93Å; W156-Q160 HydrophobicContact CD2-CG 4.04Å; W156-Q160 HydrophobicContact CE3-CG 4.37Å; W156-Q160 HydrophobicContact CH2-CG 4.06Å; W156-Q160 HydrophobicContact CZ2-CG 3.66Å; W156-Q160 HydrophobicContact CZ3-CG 4.38Å; W156-Q160 WeakPolarHBondContact O-CG 3.43Å; W156-Q160 PolarHBondContact O-N 3Å
157A98.4Very high96.5Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-66.5-38.8-178.100000112.6L73 F75 S105 H153 Y154 R155 Q160 V161L73-A157 HydrophobicContact CD1-CB 4.21Å; L73-A157 HydrophobicContact CD2-CB 4.05Å; F75-A157 HydrophobicContact CE1-CB 3.54Å; F75-A157 HydrophobicContact CZ-CB 3.61Å; S105-A157 WeakPolarHBondContact OG-CB 3.28Å; H153-A157 VanDerWaalsContact O-CB 3.31Å; H153-A157 WeakPolarHBondContact O-CB 3.45Å; H153-A157 PolarHBondContact O-N 3.17Å; Y154-A157 PolarHBondContact O-N 3.03Å; R155-A157 PolarHBondContact O-N 3.27Å; A157-Q160 PolarHBondContact O-N 3.02Å; A157-V161 WeakPolarHBondContact O-CG2 3.21Å; A157-V161 PolarHBondContact O-N 3.21Å
158L98.4Very high97Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-67-41175.5-72.5168.3000111.6L73 Y154 R155 Q160 V161 L162 V172 L254 W259 W266L73-L158 HydrophobicContact CD2-CD2 3.89Å; L73-L158 HydrophobicContact CD2-CG 4.29Å; Y154-L158 WeakPolarHBondContact O-CB 3.31Å; Y154-L158 VanDerWaalsContact O-CG 3.3Å; Y154-L158 WeakPolarHBondContact O-CG 3.22Å; Y154-L158 PolarHBondContact O-N 3.16Å; R155-L158 PolarHBondContact O-N 3.37Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.4Å; L158-V161 PolarHBondContact O-N 3.21Å; L158-L162 HydrophobicContact CD2-CD1 4.17Å; L158-L162 WeakPolarHBondContact O-CB 3.42Å; L158-L162 PolarHBondContact O-N 2.79Å; L158-V172 HydrophobicContact CD2-CG2 4.07Å; L158-L254 HydrophobicContact CD2-CD1 4.16Å; L158-L254 HydrophobicContact CD2-CD2 4.12Å; L158-W259 HydrophobicContact CB-CD2 3.81Å; L158-W259 HydrophobicContact CB-CE3 3.92Å; L158-W259 HydrophobicContact CB-CH2 3.82Å; L158-W259 HydrophobicContact CB-CZ2 3.64Å; L158-W259 HydrophobicContact CB-CZ3 3.93Å; L158-W259 HydrophobicContact CD1-CD2 4.43Å; L158-W259 HydrophobicContact CD1-CE3 3.69Å; L158-W259 HydrophobicContact CD1-CH2 3.95Å; L158-W259 HydrophobicContact CD1-CZ3 3.42Å; L158-W259 VanDerWaalsContact CD1-CZ3 3.42Å; L158-W259 HydrophobicContact CG-CE3 4.36Å; L158-W259 HydrophobicContact CG-CZ3 4.31Å; L158-W266 HydrophobicContact CD1-CH2 4.4Å
159D98.4Very high97.1Very high40 Ų4039.1 Ų39.121%0.21419%0.192CC..Iπ-helixtrans-58.5-43.9171.1-73.2-25.3000111.2R155 W156 V161 D163 V164 W259R155-D159 PolarHBondContact O-N 2.71Å; W156-D159 PolarHBondContact O-N 2.93Å; D159-V161 PolarHBondContact O-N 3.37Å; D159-D163 WeakPolarHBondContact O-CA 3.46Å; D159-D163 VanDerWaalsContact O-CB 3.28Å; D159-D163 WeakPolarHBondContact O-CB 3.32Å; D159-D163 PolarHBondContact O-N 3.25Å; D159-V164 PolarHBondContact O-N 3.46Å; D159-W259 VanDerWaalsContact OD1-CE2 3.26Å; D159-W259 WeakPolarHBondContact OD1-CZ2 2.79Å; D159-W259 PolarHBondContact OD1-NE1 3.2Å
160Q98.7Very high97.3Very high44 Ų4436.6 Ų36.621%0.20618%0.181CC..Iπ-helixtrans-61.7-46.3177.7-66.5-48.3-72.800112L127 W156 A157 L158 V164 M165L127-Q160 HydrophobicContact CD1-CB 3.71Å; L127-Q160 HydrophobicContact CD1-CG 4.15Å; W156-Q160 HydrophobicContact CD2-CG 4.04Å; W156-Q160 HydrophobicContact CE3-CG 4.37Å; W156-Q160 HydrophobicContact CH2-CG 4.06Å; W156-Q160 HydrophobicContact CZ2-CG 3.66Å; W156-Q160 HydrophobicContact CZ3-CG 4.38Å; W156-Q160 WeakPolarHBondContact O-CG 3.43Å; W156-Q160 PolarHBondContact O-N 3Å; A157-Q160 PolarHBondContact O-N 3.02Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.4Å; Q160-V164 WeakPolarHBondContact O-CB 3.36Å; Q160-V164 PolarHBondContact O-N 3.09Å; Q160-M165 WeakPolarHBondContact O-CB 3.46Å; Q160-M165 VanDerWaalsContact O-CG 3.3Å; Q160-M165 WeakPolarHBondContact O-CG 3.31Å; Q160-M165 PolarHBondContact O-N 3.11Å
161V98.6Very high97.6Very high0 Ų035.2 Ų35.20%017%0.174CC..Iπ-helixtrans-75-48.7-174.9171.60000111.9A71 L73 V103 A157 L158 D159 M165 F167 A170A71-V161 HydrophobicContact CB-CG1 3.58Å; L73-V161 HydrophobicContact CB-CG2 4.39Å; L73-V161 HydrophobicContact CD1-CG2 3.94Å; L73-V161 HydrophobicContact CD2-CG2 4.15Å; L73-V161 HydrophobicContact CG-CG2 4.37Å; V103-V161 HydrophobicContact CB-CG2 4.17Å; V103-V161 HydrophobicContact CG1-CG2 3.97Å; V103-V161 HydrophobicContact CG2-CG2 4.36Å; A157-V161 WeakPolarHBondContact O-CG2 3.21Å; A157-V161 PolarHBondContact O-N 3.21Å; L158-V161 PolarHBondContact O-N 3.21Å; D159-V161 PolarHBondContact O-N 3.37Å; V161-M165 HydrophobicContact CG2-SD 4.42Å; V161-M165 WeakPolarHBondContact O-CB 3.3Å; V161-F167 HydrophobicContact CG1-CB 4.29Å; V161-F167 HydrophobicContact CG1-CD2 3.86Å; V161-F167 HydrophobicContact CG1-CG 4.45Å; V161-F167 WeakPolarHBondContact O-CD2 3.41Å; V161-F167 PolarHBondContact O-N 3.31Å; V161-A170 HydrophobicContact CG1-CB 4.05Å
162L98.3Very high97.7Very high0 Ų035.2 Ų35.20%017%0.174CC..Iπ-helixtrans-86.1-35.3-171.5-63.7170.3000111.9L158 F167 A170 L254 K256 W259L158-L162 HydrophobicContact CD2-CD1 4.17Å; L158-L162 WeakPolarHBondContact O-CB 3.42Å; L158-L162 PolarHBondContact O-N 2.79Å; L162-F167 WeakPolarHBondContact CD2-O 3.47Å; L162-A170 HydrophobicContact CD2-CB 4.01Å; L162-L254 HydrophobicContact CD1-CD1 4.27Å; L162-L254 HydrophobicContact CD1-CD2 4.43Å; L162-L254 HydrophobicContact CD1-CG 4.27Å; L162-K256 HydrophobicContact CB-CG 4.35Å; L162-K256 HydrophobicContact CD2-CB 4.33Å; L162-K256 WeakPolarHBondContact O-CD 3.31Å; L162-K256 WeakPolarHBondContact O-CE 3.48Å; L162-K256 PolarHBondContact O-NZ 3.16Å; L162-W259 HydrophobicContact CB-CG 4.42Å; L162-W259 HydrophobicContact CD1-CB 3.39Å; L162-W259 HydrophobicContact CD1-CD2 4.39Å; L162-W259 HydrophobicContact CD1-CG 3.6Å
163D97.7Very high97.7Very high59 Ų5933 Ų3332%0.31617%0.165SC..Iπ-helixtrans-96.5-57-178.2-67-30.8000113.2D159 G166 K256 H260D159-D163 WeakPolarHBondContact O-CA 3.46Å; D159-D163 VanDerWaalsContact O-CB 3.28Å; D159-D163 WeakPolarHBondContact O-CB 3.32Å; D159-D163 PolarHBondContact O-N 3.25Å; D163-G166 PolarHBondContact O-N 2.83Å; D163-K256 WeakPolarHBondContact OD1-CE 3.29Å; D163-K256 IonicContact OD1-NZ 2.78Å; D163-H260 IonicContact OD1-CD2 3.24Å; D163-H260 IonicContact OD1-CE1 3.83Å; D163-H260 IonicContact OD1-NE2 2.93Å; D163-H260 PolarHBondContact OD1-NE2 3.41Å; D163-H260 IonicContact OD2-NE2 2.91Å
164V98.3Very high97.5Very high104 Ų10432.9 Ų32.963%0.6317%0.165SC*.Iπ-helixtrans-70.8-47.1-174.1-179.10000111.7D159 Q160 G166D159-V164 PolarHBondContact O-N 3.46Å; Q160-V164 WeakPolarHBondContact O-CB 3.36Å; Q160-V164 PolarHBondContact O-N 3.09Å; V164-G166 VanDerWaalsContact C-N 3.34Å
165M98.3Very high97.2Very high65 Ų6533 Ų3332%0.3217%0.166SC..SBendtrans-81.8-15.1177-63.5175-179.500112.9V103 T125 L127 Q160 V161 F167V103-M165 HydrophobicContact CG1-CE 4.13Å; V103-M165 HydrophobicContact CG1-SD 4.35Å; V103-M165 HydrophobicContact CG2-SD 3.95Å; T125-M165 HydrophobicContact CG2-CE 3.8Å; L127-M165 HydrophobicContact CD1-CE 3.77Å; L127-M165 HydrophobicContact CD2-CE 3.77Å; L127-M165 HydrophobicContact CG-CE 4.09Å; Q160-M165 WeakPolarHBondContact O-CB 3.46Å; Q160-M165 VanDerWaalsContact O-CG 3.3Å; Q160-M165 WeakPolarHBondContact O-CG 3.31Å; Q160-M165 PolarHBondContact O-N 3.11Å; V161-M165 HydrophobicContact CG2-SD 4.42Å; V161-M165 WeakPolarHBondContact O-CB 3.3Å; M165-F167 HydrophobicContact CB-CD2 3.67Å; M165-F167 HydrophobicContact CB-CE2 3.66Å; M165-F167 HydrophobicContact CG-CE2 4.36Å; M165-F167 PolarHBondContact O-N 3.35Å; M165-F167 HydrophobicContact SD-CD2 4.39Å; M165-F167 HydrophobicContact SD-CE2 3.89Å
166G97.6Very high96.7Very high39 Ų3927.3 Ų27.340%0.40215%0.145SC..  trans76.215.9173.200000115.6D163 V164D163-G166 PolarHBondContact O-N 2.83Å; V164-G166 VanDerWaalsContact C-N 3.34Å
167F98Very high96.4Very high41 Ų4125 Ų2518%0.1814%0.137CC..  trans-64.7139.2175.2-67.7-69.7000111.1P69 A71 P101 V161 L162 M165P69-F167 HydrophobicContact CB-CD1 4.2Å; P69-F167 HydrophobicContact CB-CE1 4.03Å; A71-F167 HydrophobicContact CB-CB 4.03Å; A71-F167 HydrophobicContact CB-CD1 4.04Å; A71-F167 HydrophobicContact CB-CD2 3.65Å; A71-F167 HydrophobicContact CB-CE1 4.44Å; A71-F167 HydrophobicContact CB-CE2 4.06Å; A71-F167 HydrophobicContact CB-CG 3.63Å; A71-F167 HydrophobicContact CB-CZ 4.45Å; P101-F167 HydrophobicContact CB-CE1 4.35Å; P101-F167 HydrophobicContact CB-CZ 4.02Å; P101-F167 HydrophobicContact CG-CD1 4.32Å; P101-F167 HydrophobicContact CG-CE1 3.39Å; P101-F167 HydrophobicContact CG-CZ 3.52Å; V161-F167 HydrophobicContact CG1-CB 4.29Å; V161-F167 HydrophobicContact CG1-CD2 3.86Å; V161-F167 HydrophobicContact CG1-CG 4.45Å; V161-F167 WeakPolarHBondContact O-CD2 3.41Å; V161-F167 PolarHBondContact O-N 3.31Å; L162-F167 WeakPolarHBondContact CD2-O 3.47Å; M165-F167 HydrophobicContact CB-CD2 3.67Å; M165-F167 HydrophobicContact CB-CE2 3.66Å; M165-F167 HydrophobicContact CG-CE2 4.36Å; M165-F167 PolarHBondContact O-N 3.35Å; M165-F167 HydrophobicContact SD-CD2 4.39Å; M165-F167 HydrophobicContact SD-CE2 3.89Å
168K96.3Very high96.1Very high108 Ų10828.9 Ų28.947%0.4716%0.156SC..SBendtrans-81.6-21179.7-63.4-171.9179.7-178.50113.2P68 T255 K256P68-K168 HydrophobicContact CG-CD 4.45Å; K168-T255 CarbonylContact O-C 3.43Å; K168-T255 WeakPolarHBondContact O-CA 3.21Å; K168-K256 WeakPolarHBondContact O-CB 3.44Å; K168-K256 PolarHBondContact O-N 2.88Å
169V96.9Very high96Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-152144.5-17458.20000108.9I70 A71 Y191 M253 L254I70-V169 HydrophobicContact CB-CG1 4.03Å; I70-V169 HydrophobicContact CG1-CG1 3.72Å; I70-V169 HydrophobicContact CG2-CG1 3.99Å; I70-V169 HydrophobicContact CG2-CG2 4.32Å; A71-V169 PolarHBondContact N-O 2.99Å; A71-V169 VanDerWaalsContact N-O 3.17Å; V169-Y191 HydrophobicContact CB-CD2 4.32Å; V169-Y191 HydrophobicContact CB-CE2 3.86Å; V169-Y191 HydrophobicContact CG1-CD2 4.11Å; V169-Y191 HydrophobicContact CG1-CE2 3.64Å; V169-Y191 HydrophobicContact CG2-CD2 3.94Å; V169-Y191 HydrophobicContact CG2-CE2 3.97Å; V169-M253 HydrophobicContact CG2-CG 3.41Å; V169-M253 VanDerWaalsContact CG2-CG 3.41Å; V169-M253 HydrophobicContact CG2-SD 3.69Å; V169-L254 WeakPolarHBondContact CA-O 3.19Å; V169-L254 VanDerWaalsContact CG2-O 3.29Å; V169-L254 WeakPolarHBondContact CG2-O 3.16Å
170A97.7Very high96Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-133.3141.3175.300000111.3A71 V161 L162 M253 L254A71-A170 HydrophobicContact CB-CB 4.38Å; A71-A170 CarbonylContact O-C 3.58Å; A71-A170 WeakPolarHBondContact O-CA 3.46Å; V161-A170 HydrophobicContact CG1-CB 4.05Å; L162-A170 HydrophobicContact CD2-CB 4.01Å; A170-M253 VanDerWaalsContact O-CA 3.23Å; A170-M253 WeakPolarHBondContact O-CA 3.24Å; A170-L254 HydrophobicContact CB-CD2 3.86Å; A170-L254 PolarHBondContact N-O 2.76Å; A170-L254 VanDerWaalsContact O-CD2 3.31Å; A170-L254 WeakPolarHBondContact O-CD2 3.29Å; A170-L254 PolarHBondContact O-N 3.17Å
171I98.1Very high96Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-96.5118.4164-60.2161.4000106.8I70 A71 V72 L73 F100 T173 F183 F187 W252 M253I70-I171 HydrophobicContact CG2-CD1 3.59Å; I70-I171 HydrophobicContact CG2-CG1 3.66Å; A71-I171 PolarHBondContact O-N 2.94Å; V72-I171 CarbonylContact C-O 3.47Å; V72-I171 WeakPolarHBondContact CA-O 3.36Å; L73-I171 PolarHBondContact N-O 3.23Å; F100-I171 HydrophobicContact CD1-CD1 4.29Å; F100-I171 HydrophobicContact CE1-CD1 3.98Å; I171-T173 HydrophobicContact CG2-CG2 4.19Å; I171-F183 HydrophobicContact CG2-CE1 4.2Å; I171-F183 HydrophobicContact CG2-CZ 3.79Å; I171-F187 HydrophobicContact CD1-CB 3.59Å; I171-F187 HydrophobicContact CD1-CD1 4.28Å; I171-F187 HydrophobicContact CD1-CD2 3.71Å; I171-F187 HydrophobicContact CD1-CE2 4.48Å; I171-F187 HydrophobicContact CD1-CG 3.6Å; I171-F187 HydrophobicContact CG1-CB 4.25Å; I171-F187 HydrophobicContact CG1-CD1 4.06Å; I171-F187 HydrophobicContact CG1-CD2 4.12Å; I171-F187 HydrophobicContact CG1-CE1 4.46Å; I171-F187 HydrophobicContact CG1-CG 3.88Å; I171-F187 HydrophobicContact CG2-CD2 4.06Å; I171-F187 HydrophobicContact CG2-CE1 4.45Å; I171-F187 HydrophobicContact CG2-CE2 3.73Å; I171-F187 HydrophobicContact CG2-CZ 3.94Å; I171-W252 CarbonylContact C-O 3.5Å; I171-W252 WeakPolarHBondContact CA-O 3.43Å; I171-M253 HydrophobicContact CG1-CB 4.13Å; I171-M253 HydrophobicContact CG1-CG 4.11Å; I171-M253 HydrophobicContact CG1-SD 4.12Å
172V97.2Very high95.9Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-94.6128.2179.6174.60000109.7L73 F75 Y154 L158 G251 W252 L254L73-V172 WeakPolarHBondContact O-CA 3.43Å; F75-V172 HydrophobicContact CD2-CG1 3.85Å; F75-V172 HydrophobicContact CE2-CG1 3.64Å; Y154-V172 HydrophobicContact CE1-CG1 3.83Å; L158-V172 HydrophobicContact CD2-CG2 4.07Å; V172-G251 WeakPolarHBondContact O-CA 3.43Å; V172-W252 HydrophobicContact CB-CD2 4.45Å; V172-W252 HydrophobicContact CB-CG 4.49Å; V172-W252 HydrophobicContact CB-CZ2 4.41Å; V172-W252 HydrophobicContact CG2-CZ2 4.17Å; V172-W252 PolarHBondContact N-O 2.89Å; V172-W252 PolarHBondContact O-N 3.48Å; V172-W252 VanDerWaalsContact O-N 3.14Å; V172-L254 HydrophobicContact CG2-CD2 3.94Å
173T95.6Very high95.9Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-137.8163.217955.10000111L73 V74 F75 I171 F183L73-T173 PolarHBondContact O-N 2.87Å; L73-T173 PolarHBondContact O-OG1 3.35Å; V74-T173 WeakPolarHBondContact CA-O 3.32Å; V74-T173 WeakPolarHBondContact CG2-OG1 3.15Å; F75-T173 PolarHBondContact N-O 3.46Å; I171-T173 HydrophobicContact CG2-CG2 4.19Å; T173-F183 HydrophobicContact CG2-CZ 3.82Å
174E92.4Very high95.9Very high9 Ų925.9 Ų25.94%0.04214%0.141CC..EExtended strand (participates in β ladder)trans-121.8156.5176.3-80.2156.5-117.500110.9F75 H86 Y154 D176 L177 L248F75-E174 HydrophobicContact CB-CG 4.14Å; H86-E174 PolarHBondContact CE1-O 3.3Å; H86-E174 PolarHBondContact ND1-O 2.56Å; Y154-E174 PolarHBondContact OH-OE1 2.87Å; E174-D176 PolarHBondContact O-N 2.72Å; E174-L177 HydrophobicContact CB-CD1 4.47Å; E174-L177 HydrophobicContact CB-CG 4.29Å; E174-L177 PolarHBondContact O-N 2.97Å; E174-L248 VanDerWaalsContact CD-CB 3.49Å; E174-L248 VanDerWaalsContact CD-CD1 3.45Å; E174-L248 HydrophobicContact CG-CD1 4.35Å; E174-L248 WeakPolarHBondContact OE1-CB 3.45Å; E174-L248 VanDerWaalsContact OE2-CD1 3.23Å; E174-L248 WeakPolarHBondContact OE2-CD1 3.3Å
175D91.2Very high95.9Very high5 Ų522.6 Ų22.63%0.02712%0.119CC..THydrogen-bonded Turntrans-65.4-4.8-177.166.2-4.4000115.6F75 A76 R79 A82 T83F75-D175 PolarHBondContact O-N 2.77Å; F75-D175 VanDerWaalsContact O-N 3.09Å; A76-D175 HydrophobicContact CB-CB 4.35Å; R79-D175 IonicContact CZ-OD1 3.41Å; R79-D175 VanDerWaalsContact CZ-OD1 3.22Å; R79-D175 IonicContact NE-OD1 2.95Å; R79-D175 PolarHBondContact NE-OD1 2.75Å; R79-D175 IonicContact NE-OD2 3.23Å; R79-D175 IonicContact NH2-OD1 3.13Å; R79-D175 PolarHBondContact NH2-OD1 2.98Å; A82-D175 CarbonylContact C-O 3.16Å; A82-D175 VanDerWaalsContact CB-O 3.3Å; A82-D175 WeakPolarHBondContact CB-O 3.21Å; A82-D175 VanDerWaalsContact O-O 3.09Å; T83-D175 PolarHBondContact OG1-OD2 2.8Å
176D86.9Confident95.9Very high6 Ų619.5 Ų19.53%0.03210%0.103CC..THydrogen-bonded Turntrans-109.610.3176.660.711.1000114.9R79 E174 M296 S297 G300R79-D176 IonicContact CZ-OD2 3.35Å; R79-D176 VanDerWaalsContact CZ-OD2 3.23Å; R79-D176 IonicContact NH1-OD2 3.17Å; R79-D176 PolarHBondContact NH1-OD2 3.1Å; R79-D176 IonicContact NH2-OD1 2.63Å; R79-D176 IonicContact NH2-OD2 3.22Å; R79-D176 PolarHBondContact NH2-OD2 3.07Å; E174-D176 PolarHBondContact O-N 2.72Å; D176-M296 HydrophobicContact CB-SD 4.24Å; D176-S297 WeakPolarHBondContact O-CB 3.5Å; D176-S297 PolarHBondContact O-N 3.19Å; D176-S297 PolarHBondContact O-OG 3.21Å; D176-G300 WeakPolarHBondContact OD2-CA 3.25Å
177L91.7Very high95.9Very high6 Ų617.7 Ų17.73%0.0318%0.084CC..EExtended strand (participates in β ladder)trans-87.9135.3176.7-59.6-179.2000112.5H86 E174 L179 L250 T294H86-L177 PolarHBondContact ND1-O 2.76Å; E174-L177 HydrophobicContact CB-CD1 4.47Å; E174-L177 HydrophobicContact CB-CG 4.29Å; E174-L177 PolarHBondContact O-N 2.97Å; L177-L179 HydrophobicContact CB-CD2 4.36Å; L177-L250 HydrophobicContact CD2-CB 4.18Å; L177-L250 HydrophobicContact CD2-CD2 3.72Å; L177-T294 HydrophobicContact CD1-CG2 4.31Å
178M92.9Very high95.8Very high81 Ų8116.2 Ų16.240%0.3998%0.079SC..EExtended strand (participates in β ladder)trans-88.1142.1162.2-57-171.8-62.300109.4T294 A295 L319M178-T294 CarbonylContact O-C 3.52Å; M178-T294 WeakPolarHBondContact O-CA 3.48Å; M178-A295 HydrophobicContact CB-CB 4.4Å; M178-A295 HydrophobicContact CE-CB 3.6Å; M178-A295 PolarHBondContact N-O 3.28Å; M178-A295 PolarHBondContact O-N 3.06Å; M178-L319 HydrophobicContact CB-CD2 3.86Å
179L96.3Very high95.8Very high3 Ų311.6 Ų11.62%0.0166%0.061CC..EExtended strand (participates in β ladder)trans-116.1134-174.5-52.1-177000111.7R89 L90 L93 L177 F183 T294R89-L179 HydrophobicContact CG-CB 4.19Å; R89-L179 PolarHBondContact NE-O 3.14Å; L90-L179 HydrophobicContact CB-CD1 4.02Å; L90-L179 HydrophobicContact CD1-CD1 3.56Å; L90-L179 HydrophobicContact CG-CD1 4.43Å; L93-L179 HydrophobicContact CD1-CB 3.98Å; L177-L179 HydrophobicContact CB-CD2 4.36Å; L179-F183 HydrophobicContact CB-CB 4.43Å; L179-F183 HydrophobicContact CB-CD2 4.37Å; L179-F183 HydrophobicContact CB-CG 4.38Å; L179-F183 HydrophobicContact CD1-CD1 4.44Å; L179-F183 HydrophobicContact CD2-CD2 3.91Å; L179-F183 HydrophobicContact CD2-CE2 3.71Å; L179-F183 HydrophobicContact CD2-CG 4.48Å; L179-F183 HydrophobicContact CD2-CZ 4.14Å; L179-T294 HydrophobicContact CD2-CG2 3.89Å
180A97.4Very high95.7Very high1 Ų111.6 Ų11.61%0.0086%0.061CC..  trans-71.1157.3175.600000111.8L93 D182 F183 R293 L319 N320L93-A180 VanDerWaalsContact CD1-O 3.24Å; L93-A180 WeakPolarHBondContact CD1-O 3.2Å; A180-D182 WeakPolarHBondContact CB-OD1 3.43Å; A180-D182 PolarHBondContact O-N 3.01Å; A180-F183 VanDerWaalsContact O-CB 3.25Å; A180-F183 WeakPolarHBondContact O-CB 3.42Å; A180-F183 PolarHBondContact O-N 3.32Å; A180-F183 VanDerWaalsContact O-N 3.11Å; A180-R293 HydrophobicContact CB-CB 4.22Å; A180-R293 HydrophobicContact CB-CG 4.1Å; A180-R293 WeakPolarHBondContact CB-O 3.46Å; A180-R293 PolarHBondContact N-O 3Å; A180-L319 HydrophobicContact CB-CD1 4.01Å; A180-L319 HydrophobicContact CB-CG 4.37Å; A180-N320 HydrophobicContact CB-CB 4.06Å; A180-N320 VanDerWaalsContact CB-O 3.29Å; A180-N320 WeakPolarHBondContact CB-O 3.32Å
181N98Very high95.6Very high69 Ų6912.1 Ų12.137%0.3696%0.063SC..THydrogen-bonded Turntrans-60.3-30.1-177.9-70.1-35.4000113.3R89 S321 F323R89-N181 PolarHBondContact NH2-OD1 3.48Å; N181-S321 PolarHBondContact ND2-O 3.47Å; N181-F323 HydrophobicContact CB-CD2 4.39Å
182D98Very high95.3Very high0 Ų016 Ų160%08%0.08CC..THydrogen-bonded Turntrans-97.517.6-179.762-13.9000113A180 F184 E185 Y186 R293 N320 F323 F326A180-D182 WeakPolarHBondContact CB-OD1 3.43Å; A180-D182 PolarHBondContact O-N 3.01Å; D182-F184 PolarHBondContact O-N 2.9Å; D182-E185 HydrophobicContact CB-CB 4.3Å; D182-E185 WeakPolarHBondContact O-CB 3.4Å; D182-E185 PolarHBondContact O-N 3.38Å; D182-Y186 VanDerWaalsContact O-CB 3.32Å; D182-Y186 WeakPolarHBondContact O-CB 3.23Å; D182-Y186 PolarHBondContact O-N 2.8Å; D182-R293 IonicContact OD1-NE 3.42Å; D182-R293 PolarHBondContact OD1-NE 2.84Å; D182-R293 IonicContact OD2-CZ 2.67Å; D182-R293 IonicContact OD2-NE 3.71Å; D182-R293 PolarHBondContact OD2-NE 3.11Å; D182-R293 VanDerWaalsContact OD2-NE 3.13Å; D182-R293 IonicContact OD2-NH2 3.82Å; D182-R293 PolarHBondContact OD2-NH2 3.46Å; D182-N320 PolarHBondContact OD1-ND2 2.95Å; D182-N320 VanDerWaalsContact OD1-ND2 3.11Å; D182-N320 PolarHBondContact OD2-ND2 2.82Å; D182-N320 VanDerWaalsContact OD2-ND2 3.09Å; D182-F323 HydrophobicContact CB-CD2 3.85Å; D182-F323 HydrophobicContact CB-CE2 4.11Å; D182-F323 HydrophobicContact CB-CG 4.33Å; D182-F326 WeakPolarHBondContact OD2-CE2 3.35Å
183F98.4Very high95.3Very high0 Ų016.5 Ų16.50%08%0.082CC..Hα-helixtrans-54.5-50.8-174.5179-94.5000113.3L90 I171 T173 L179 A180 F187 A205 R293 T294L90-F183 HydrophobicContact CD1-CE1 4.3Å; I171-F183 HydrophobicContact CG2-CE1 4.2Å; I171-F183 HydrophobicContact CG2-CZ 3.79Å; T173-F183 HydrophobicContact CG2-CZ 3.82Å; L179-F183 HydrophobicContact CB-CB 4.43Å; L179-F183 HydrophobicContact CB-CD2 4.37Å; L179-F183 HydrophobicContact CB-CG 4.38Å; L179-F183 HydrophobicContact CD1-CD1 4.44Å; L179-F183 HydrophobicContact CD2-CD2 3.91Å; L179-F183 HydrophobicContact CD2-CE2 3.71Å; L179-F183 HydrophobicContact CD2-CG 4.48Å; L179-F183 HydrophobicContact CD2-CZ 4.14Å; A180-F183 VanDerWaalsContact O-CB 3.25Å; A180-F183 WeakPolarHBondContact O-CB 3.42Å; A180-F183 PolarHBondContact O-N 3.32Å; A180-F183 VanDerWaalsContact O-N 3.11Å; F183-F187 HydrophobicContact CD1-CD2 4.34Å; F183-F187 HydrophobicContact CD2-CD2 4.43Å; F183-F187 HydrophobicContact CD2-CE2 4.03Å; F183-F187 HydrophobicContact CE1-CD2 4.05Å; F183-F187 HydrophobicContact CE1-CE2 4.07Å; F183-F187 HydrophobicContact CE2-CD2 4.17Å; F183-F187 AromaticContact CE2-CE2 3.49Å; F183-F187 HydrophobicContact CE2-CE2 3.49Å; F183-F187 VanDerWaalsContact CE2-CE2 3.49Å; F183-F187 AromaticContact CZ-CD2 3.97Å; F183-F187 HydrophobicContact CZ-CD2 3.97Å; F183-F187 AromaticContact CZ-CE2 3.5Å; F183-F187 HydrophobicContact CZ-CE2 3.5Å; F183-F187 VanDerWaalsContact O-CD2 3.3Å; F183-F187 WeakPolarHBondContact O-CD2 3.5Å; F183-F187 PolarHBondContact O-N 2.98Å; F183-A205 HydrophobicContact CE2-CB 4.31Å; F183-R293 HydrophobicContact CD2-CB 4.44Å; F183-T294 HydrophobicContact CD2-CG2 4.22Å; F183-T294 HydrophobicContact CE2-CG2 3.74Å
184F97.8Very high95.2Very high7 Ų717.2 Ų17.23%0.0319%0.086CC..Hα-helixtrans-71.6-35.2178.7-71.7-74.5000112.8V72 L90 L93 R94 P95 F100 D182 F187 S188V72-F184 HydrophobicContact CG2-CE1 3.77Å; V72-F184 HydrophobicContact CG2-CZ 4.39Å; L90-F184 HydrophobicContact CD1-CE1 4.36Å; L90-F184 HydrophobicContact CD1-CE2 4.02Å; L90-F184 HydrophobicContact CD1-CZ 3.48Å; L90-F184 VanDerWaalsContact CD1-CZ 3.48Å; L90-F184 HydrophobicContact CG-CZ 4.14Å; L90-F184 WeakPolarHBondContact O-CE2 3.4Å; L93-F184 HydrophobicContact CB-CD2 3.91Å; L93-F184 HydrophobicContact CB-CE2 3.84Å; L93-F184 WeakPolarHBondContact O-CD2 3.33Å; R94-F184 VanDerWaalsContact CA-CE2 3.43Å; R94-F184 HydrophobicContact CB-CE2 3.99Å; R94-F184 HydrophobicContact CB-CZ 3.99Å; R94-F184 HydrophobicContact CG-CZ 4.25Å; P95-F184 HydrophobicContact CG-CB 4.09Å; P95-F184 HydrophobicContact CG-CG 4.39Å; F100-F184 HydrophobicContact CB-CD1 4.1Å; F100-F184 HydrophobicContact CB-CE1 3.67Å; F100-F184 AromaticContact CD1-CD1 3.45Å; F100-F184 HydrophobicContact CD1-CD1 3.45Å; F100-F184 VanDerWaalsContact CD1-CD1 3.45Å; F100-F184 AromaticContact CD1-CE1 3.63Å; F100-F184 HydrophobicContact CD1-CE1 3.63Å; F100-F184 AromaticContact CD2-CD1 3.65Å; F100-F184 HydrophobicContact CD2-CD1 3.65Å; F100-F184 HydrophobicContact CD2-CE1 4.11Å; F100-F184 HydrophobicContact CD2-CG 4.36Å; F100-F184 AromaticContact CE1-CD1 3.65Å; F100-F184 HydrophobicContact CE1-CD1 3.65Å; F100-F184 HydrophobicContact CE1-CE1 4.28Å; F100-F184 HydrophobicContact CE2-CB 4.14Å; F100-F184 AromaticContact CE2-CD1 3.84Å; F100-F184 HydrophobicContact CE2-CD1 3.84Å; F100-F184 HydrophobicContact CE2-CG 4.36Å; F100-F184 AromaticContact CG-CD1 3.43Å; F100-F184 HydrophobicContact CG-CD1 3.43Å; F100-F184 VanDerWaalsContact CG-CD1 3.43Å; F100-F184 AromaticContact CG-CE1 3.52Å; F100-F184 HydrophobicContact CG-CE1 3.52Å; F100-F184 HydrophobicContact CZ-CB 4.25Å; F100-F184 AromaticContact CZ-CD1 3.84Å; F100-F184 HydrophobicContact CZ-CD1 3.84Å; D182-F184 PolarHBondContact O-N 2.9Å; F184-F187 PolarHBondContact O-N 3.45Å; F184-S188 WeakPolarHBondContact O-CB 3.31Å; F184-S188 PolarHBondContact O-N 3.25Å; F184-S188 PolarHBondContact O-OG 3.16Å
185E97.3Very high95.2Very high35 Ų3520.9 Ų20.916%0.16411%0.106CC..Hα-helixtrans-62.9-44177.3178.460.4-168.300111.1D182 S188 A189 F323 V324 P325 F326 T327D182-E185 HydrophobicContact CB-CB 4.3Å; D182-E185 WeakPolarHBondContact O-CB 3.4Å; D182-E185 PolarHBondContact O-N 3.38Å; E185-S188 PolarHBondContact O-N 2.67Å; E185-A189 WeakPolarHBondContact O-CB 3.18Å; E185-A189 PolarHBondContact O-N 2.83Å; E185-A189 VanDerWaalsContact O-N 3.07Å; E185-F323 HydrophobicContact CB-CE2 4.19Å; E185-F323 HydrophobicContact CB-CZ 3.95Å; E185-F323 HydrophobicContact CG-CE1 4.33Å; E185-F323 HydrophobicContact CG-CZ 3.85Å; E185-V324 WeakPolarHBondContact CG-O 3.43Å; E185-P325 WeakPolarHBondContact OE1-CA 3.38Å; E185-F326 HydrophobicContact CG-CB 4.3Å; E185-F326 PolarHBondContact OE1-N 2.77Å; E185-T327 VanDerWaalsContact OE1-CB 3.24Å; E185-T327 WeakPolarHBondContact OE1-CB 3.35Å; E185-T327 WeakPolarHBondContact OE1-CG2 3.49Å; E185-T327 PolarHBondContact OE1-N 3.25Å; E185-T327 PolarHBondContact OE1-OG1 3.31Å; E185-T327 PolarHBondContact OE2-OG1 3.47Å
186Y98.2Very high95.2Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-57.6-50.6174.1171.8-105.3000112.4D182 T190 V203 S204 A205 L222 R293 F326D182-Y186 VanDerWaalsContact O-CB 3.32Å; D182-Y186 WeakPolarHBondContact O-CB 3.23Å; D182-Y186 PolarHBondContact O-N 2.8Å; Y186-T190 HydrophobicContact CD2-CG2 4.18Å; Y186-T190 HydrophobicContact CE2-CG2 3.84Å; Y186-T190 WeakPolarHBondContact O-CB 3.34Å; Y186-T190 WeakPolarHBondContact O-CG2 3.42Å; Y186-T190 PolarHBondContact O-N 3.32Å; Y186-T190 VanDerWaalsContact O-N 3.09Å; Y186-T190 PolarHBondContact O-OG1 3.29Å; Y186-V203 HydrophobicContact CE1-CG1 3.59Å; Y186-V203 WeakPolarHBondContact OH-CG1 3.4Å; Y186-S204 PolarHBondContact OH-O 3.45Å; Y186-A205 HydrophobicContact CE1-CB 4.45Å; Y186-L222 HydrophobicContact CD2-CD2 4.28Å; Y186-L222 HydrophobicContact CE2-CD1 3.98Å; Y186-L222 HydrophobicContact CE2-CD2 3.65Å; Y186-L222 HydrophobicContact CE2-CG 4.5Å; Y186-R293 HydrophobicContact CD1-CG 4.33Å; Y186-R293 HydrophobicContact CG-CG 4.12Å; Y186-F326 HydrophobicContact CD2-CD2 4.1Å; Y186-F326 AromaticContact CD2-CE2 3.76Å; Y186-F326 HydrophobicContact CD2-CE2 3.76Å; Y186-F326 HydrophobicContact CD2-CZ 4.04Å; Y186-F326 HydrophobicContact CG-CE2 4.36Å
187F97.6Very high95.7Very high0 Ų025.7 Ų25.70%013%0.131CC..Hα-helixtrans-70.3-35.8-180-78.5-64.9000113I171 F183 F184 A189 T190 Y191 V203 A205 M253I171-F187 HydrophobicContact CD1-CB 3.59Å; I171-F187 HydrophobicContact CD1-CD1 4.28Å; I171-F187 HydrophobicContact CD1-CD2 3.71Å; I171-F187 HydrophobicContact CD1-CE2 4.48Å; I171-F187 HydrophobicContact CD1-CG 3.6Å; I171-F187 HydrophobicContact CG1-CB 4.25Å; I171-F187 HydrophobicContact CG1-CD1 4.06Å; I171-F187 HydrophobicContact CG1-CD2 4.12Å; I171-F187 HydrophobicContact CG1-CE1 4.46Å; I171-F187 HydrophobicContact CG1-CG 3.88Å; I171-F187 HydrophobicContact CG2-CD2 4.06Å; I171-F187 HydrophobicContact CG2-CE1 4.45Å; I171-F187 HydrophobicContact CG2-CE2 3.73Å; I171-F187 HydrophobicContact CG2-CZ 3.94Å; F183-F187 HydrophobicContact CD1-CD2 4.34Å; F183-F187 HydrophobicContact CD2-CD2 4.43Å; F183-F187 HydrophobicContact CD2-CE2 4.03Å; F183-F187 HydrophobicContact CE1-CD2 4.05Å; F183-F187 HydrophobicContact CE1-CE2 4.07Å; F183-F187 HydrophobicContact CE2-CD2 4.17Å; F183-F187 AromaticContact CE2-CE2 3.49Å; F183-F187 HydrophobicContact CE2-CE2 3.49Å; F183-F187 VanDerWaalsContact CE2-CE2 3.49Å; F183-F187 AromaticContact CZ-CD2 3.97Å; F183-F187 HydrophobicContact CZ-CD2 3.97Å; F183-F187 AromaticContact CZ-CE2 3.5Å; F183-F187 HydrophobicContact CZ-CE2 3.5Å; F183-F187 VanDerWaalsContact O-CD2 3.3Å; F183-F187 WeakPolarHBondContact O-CD2 3.5Å; F183-F187 PolarHBondContact O-N 2.98Å; F184-F187 PolarHBondContact O-N 3.45Å; F187-A189 VanDerWaalsContact C-N 3.35Å; F187-A189 PolarHBondContact O-N 2.7Å; F187-T190 WeakPolarHBondContact CA-OG1 3Å; F187-T190 PolarHBondContact O-N 3.38Å; F187-T190 PolarHBondContact O-OG1 3.45Å; F187-Y191 VanDerWaalsContact O-CB 3.24Å; F187-Y191 WeakPolarHBondContact O-CB 3.06Å; F187-Y191 PolarHBondContact O-N 2.8Å; F187-V203 HydrophobicContact CD1-CB 4.45Å; F187-V203 HydrophobicContact CD1-CG1 4.14Å; F187-V203 HydrophobicContact CE1-CB 4.2Å; F187-V203 HydrophobicContact CE1-CG1 3.94Å; F187-A205 HydrophobicContact CE2-CB 4.03Å; F187-A205 HydrophobicContact CZ-CB 3.86Å; F187-M253 HydrophobicContact CB-SD 4.32Å; F187-M253 HydrophobicContact CD1-CB 3.62Å; F187-M253 HydrophobicContact CD1-CE 3.86Å; F187-M253 HydrophobicContact CD1-CG 4.34Å; F187-M253 HydrophobicContact CD1-SD 3.85Å; F187-M253 HydrophobicContact CE1-CB 3.53Å; F187-M253 HydrophobicContact CG-SD 4.48Å
188S95.6Very high95.9Very high11 Ų1129.6 Ų29.68%0.07716%0.164CC..Hα-helixtrans-59.5-45.8175.2-59.40000111.8F100 F184 E185F100-S188 VanDerWaalsContact CZ-OG 3.31Å; F100-S188 WeakPolarHBondContact CZ-OG 3.36Å; F184-S188 WeakPolarHBondContact O-CB 3.31Å; F184-S188 PolarHBondContact O-N 3.25Å; F184-S188 PolarHBondContact O-OG 3.16Å; E185-S188 PolarHBondContact O-N 2.67Å
189A95.9Very high96.1Very high10 Ų1028 Ų288%0.08316%0.159CC..Hα-helixtrans-69.9-44-179.100000112.3E185 F187 F326 T327 L331E185-A189 WeakPolarHBondContact O-CB 3.18Å; E185-A189 PolarHBondContact O-N 2.83Å; E185-A189 VanDerWaalsContact O-N 3.07Å; F187-A189 VanDerWaalsContact C-N 3.35Å; F187-A189 PolarHBondContact O-N 2.7Å; A189-F326 VanDerWaalsContact CB-C 3.49Å; A189-F326 HydrophobicContact CB-CB 3.44Å; A189-F326 VanDerWaalsContact CB-CB 3.44Å; A189-T327 HydrophobicContact CB-CG2 3.93Å; A189-L331 HydrophobicContact CB-CD1 3.77Å
190T96.8Very high96.1Very high0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-79.5-18.8-175.654.10000113.7Y186 F187 K192 L193 L194 V203 L222 I287 L331Y186-T190 HydrophobicContact CD2-CG2 4.18Å; Y186-T190 HydrophobicContact CE2-CG2 3.84Å; Y186-T190 WeakPolarHBondContact O-CB 3.34Å; Y186-T190 WeakPolarHBondContact O-CG2 3.42Å; Y186-T190 PolarHBondContact O-N 3.32Å; Y186-T190 VanDerWaalsContact O-N 3.09Å; Y186-T190 PolarHBondContact O-OG1 3.29Å; F187-T190 WeakPolarHBondContact CA-OG1 3Å; F187-T190 PolarHBondContact O-N 3.38Å; F187-T190 PolarHBondContact O-OG1 3.45Å; T190-K192 VanDerWaalsContact C-N 3.25Å; T190-K192 PolarHBondContact O-N 3.41Å; T190-L193 WeakPolarHBondContact O-CB 3.4Å; T190-L193 PolarHBondContact O-N 2.64Å; T190-L194 PolarHBondContact O-N 3.06Å; T190-V203 HydrophobicContact CG2-CG1 4.21Å; T190-V203 WeakPolarHBondContact OG1-CG1 3.46Å; T190-L222 HydrophobicContact CG2-CD1 4.16Å; T190-I287 HydrophobicContact CG2-CG2 4.47Å; T190-L331 HydrophobicContact CG2-CD1 4.22Å
191Y95.2Very high96.1Very high12 Ų1228.4 Ų28.45%0.04716%0.161CC..Hα-helixtrans-53.7-43173.6169.2-108.5000112.4I67 P68 I70 V169 F187 L193 L194 L195 M253I67-Y191 HydrophobicContact CG2-CD1 3.89Å; I67-Y191 HydrophobicContact CG2-CE1 4.09Å; P68-Y191 VanDerWaalsContact CD-OH 3.31Å; P68-Y191 WeakPolarHBondContact CD-OH 3.15Å; P68-Y191 HydrophobicContact CG-CE1 4.17Å; P68-Y191 WeakPolarHBondContact CG-OH 3.32Å; I70-Y191 HydrophobicContact CD1-CD2 4.41Å; I70-Y191 HydrophobicContact CD1-CG 4.11Å; V169-Y191 HydrophobicContact CB-CD2 4.32Å; V169-Y191 HydrophobicContact CB-CE2 3.86Å; V169-Y191 HydrophobicContact CG1-CD2 4.11Å; V169-Y191 HydrophobicContact CG1-CE2 3.64Å; V169-Y191 HydrophobicContact CG2-CD2 3.94Å; V169-Y191 HydrophobicContact CG2-CE2 3.97Å; F187-Y191 VanDerWaalsContact O-CB 3.24Å; F187-Y191 WeakPolarHBondContact O-CB 3.06Å; F187-Y191 PolarHBondContact O-N 2.8Å; Y191-L193 PolarHBondContact O-N 2.74Å; Y191-L194 WeakPolarHBondContact O-CB 3.28Å; Y191-L194 PolarHBondContact O-N 2.77Å; Y191-L194 VanDerWaalsContact O-N 3.1Å; Y191-L195 HydrophobicContact CD1-CD1 4.45Å; Y191-L195 HydrophobicContact CE1-CD1 3.61Å; Y191-L195 HydrophobicContact CE1-CG 4.18Å; Y191-L195 HydrophobicContact CE2-CD1 4.24Å; Y191-L195 HydrophobicContact CE2-CD2 4.05Å; Y191-L195 HydrophobicContact CE2-CG 3.99Å; Y191-L195 PolarHBondContact O-N 2.74Å; Y191-L195 WeakPolarHBondContact OH-CD1 3.36Å; Y191-M253 VanDerWaalsContact CA-CE 3.48Å; Y191-M253 HydrophobicContact CD2-CE 4.45Å; Y191-M253 HydrophobicContact CD2-SD 4.31Å
192K92.1Very high96Very high82 Ų8225.1 Ų25.136%0.35714%0.143SC..Hα-helixtrans-58.5-38.2178-63.9-178.9-179.8178.50112T190 L195 L196T190-K192 VanDerWaalsContact C-N 3.25Å; T190-K192 PolarHBondContact O-N 3.41Å; K192-L195 PolarHBondContact O-N 2.76Å; K192-L196 WeakPolarHBondContact O-CB 3.22Å; K192-L196 VanDerWaalsContact O-CG 3.27Å; K192-L196 WeakPolarHBondContact O-CG 3.15Å; K192-L196 PolarHBondContact O-N 3.3Å; K192-L196 VanDerWaalsContact O-N 3.08Å
193L95.7Very high96Very high9 Ų925.1 Ų25.15%0.04714%0.143CC..Hα-helixtrans-67.4-41.6177.3-60.4172.7000111.4T190 Y191 L195 L196 D197 L200 I287 L331 L334 L335T190-L193 WeakPolarHBondContact O-CB 3.4Å; T190-L193 PolarHBondContact O-N 2.64Å; Y191-L193 PolarHBondContact O-N 2.74Å; L193-L195 PolarHBondContact O-N 3.24Å; L193-L196 PolarHBondContact O-N 2.78Å; L193-D197 WeakPolarHBondContact O-CB 3.49Å; L193-D197 PolarHBondContact O-N 2.72Å; L193-L200 HydrophobicContact CB-CD1 3.96Å; L193-I287 HydrophobicContact CB-CD1 3.97Å; L193-I287 HydrophobicContact CD1-CD1 3.52Å; L193-I287 HydrophobicContact CG-CD1 4.42Å; L193-L331 HydrophobicContact CD1-CB 3.93Å; L193-L334 HydrophobicContact CD1-CB 3.87Å; L193-L334 HydrophobicContact CD1-CD1 3.69Å; L193-L334 HydrophobicContact CD1-CG 4.42Å; L193-L335 HydrophobicContact CD2-CD2 3.82Å; L193-L335 HydrophobicContact CD2-CG 4.14Å
194L93.9Very high95.9Very high16 Ų1625.1 Ų25.18%0.08414%0.143CC..Hα-helixtrans-61.8-29.7179.2-168.763.2000112.4T190 Y191 L200 V203 M253 T255T190-L194 PolarHBondContact O-N 3.06Å; Y191-L194 WeakPolarHBondContact O-CB 3.28Å; Y191-L194 PolarHBondContact O-N 2.77Å; Y191-L194 VanDerWaalsContact O-N 3.1Å; L194-L200 HydrophobicContact CD1-CB 3.87Å; L194-V203 HydrophobicContact CB-CG2 4.37Å; L194-M253 HydrophobicContact CD2-CE 4.16Å; L194-M253 HydrophobicContact CD2-CG 4.22Å; L194-T255 HydrophobicContact CD2-CG2 3.61Å; L194-T255 HydrophobicContact CG-CG2 3.76Å
195L91.7Very high95.9Very high85 Ų8524.8 Ų24.845%0.44514%0.142SC..Hα-helixtrans-79-41.8172.8-66.4-174.7000113.5Y191 K192 L193Y191-L195 HydrophobicContact CD1-CD1 4.45Å; Y191-L195 HydrophobicContact CE1-CD1 3.61Å; Y191-L195 HydrophobicContact CE1-CG 4.18Å; Y191-L195 HydrophobicContact CE2-CD1 4.24Å; Y191-L195 HydrophobicContact CE2-CD2 4.05Å; Y191-L195 HydrophobicContact CE2-CG 3.99Å; Y191-L195 PolarHBondContact O-N 2.74Å; Y191-L195 WeakPolarHBondContact OH-CD1 3.36Å; K192-L195 PolarHBondContact O-N 2.76Å; L193-L195 PolarHBondContact O-N 3.24Å
196L92.6Very high95.8Very high98 Ų9823.1 Ų23.151%0.51313%0.134SC..Hα-helixtrans-77.6-27.8-172.8-75.5172.9000113.3I64 K192 L193 L335I64-L196 HydrophobicContact CD1-CD2 3.78Å; K192-L196 WeakPolarHBondContact O-CB 3.22Å; K192-L196 VanDerWaalsContact O-CG 3.27Å; K192-L196 WeakPolarHBondContact O-CG 3.15Å; K192-L196 PolarHBondContact O-N 3.3Å; K192-L196 VanDerWaalsContact O-N 3.08Å; L193-L196 PolarHBondContact O-N 2.78Å; L196-L335 HydrophobicContact CB-CD2 4.29Å
197D96.4Very high95.6Very high14 Ų1423.3 Ų23.38%0.07514%0.135CC..  trans-117.695.5-174-171.4-9.1000111L193 T199 L200 R224 L335 K336L193-D197 WeakPolarHBondContact O-CB 3.49Å; L193-D197 PolarHBondContact O-N 2.72Å; D197-T199 VanDerWaalsContact CG-OG1 3.24Å; D197-T199 PolarHBondContact O-N 3.01Å; D197-T199 WeakPolarHBondContact OD1-CA 3.34Å; D197-T199 VanDerWaalsContact OD1-CB 3.27Å; D197-T199 WeakPolarHBondContact OD1-CB 3.35Å; D197-T199 PolarHBondContact OD1-N 2.83Å; D197-T199 PolarHBondContact OD1-OG1 3.37Å; D197-T199 PolarHBondContact OD2-OG1 3.11Å; D197-L200 HydrophobicContact CB-CD1 4.04Å; D197-L200 HydrophobicContact CB-CG 4.12Å; D197-L200 WeakPolarHBondContact O-CB 3.29Å; D197-L200 PolarHBondContact O-N 3.31Å; D197-R224 IonicContact OD2-CZ 3.34Å; D197-R224 IonicContact OD2-NH1 2.67Å; D197-R224 PolarHBondContact OD2-NH1 3.4Å; D197-R224 IonicContact OD2-NH2 3.65Å; D197-L335 HydrophobicContact CB-CD2 3.86Å; D197-K336 PolarHBondContact OD2-N 3.32Å
198A95.4Very high95.3Very high89 Ų8923.4 Ų23.474%0.73614%0.135SC*.THydrogen-bonded Turntrans-60.9-10.4176.500000114.1L200A198-L200 VanDerWaalsContact C-N 3.28Å
199T97.5Very high95.2Very high47 Ų4723 Ų2329%0.28813%0.132SC..THydrogen-bonded Turntrans-86.1-1173.877.30000112.9D197 R224 R284 A285 K336D197-T199 VanDerWaalsContact CG-OG1 3.24Å; D197-T199 PolarHBondContact O-N 3.01Å; D197-T199 WeakPolarHBondContact OD1-CA 3.34Å; D197-T199 VanDerWaalsContact OD1-CB 3.27Å; D197-T199 WeakPolarHBondContact OD1-CB 3.35Å; D197-T199 PolarHBondContact OD1-N 2.83Å; D197-T199 PolarHBondContact OD1-OG1 3.37Å; D197-T199 PolarHBondContact OD2-OG1 3.11Å; T199-R224 PolarHBondContact O-NH2 3.09Å; T199-R224 PolarHBondContact OG1-NH2 2.91Å; T199-R284 CarbonylContact O-C 3.58Å; T199-R284 WeakPolarHBondContact O-CA 3.39Å; T199-R284 VanDerWaalsContact O-CB 3.3Å; T199-R284 WeakPolarHBondContact O-CB 3.01Å; T199-A285 PolarHBondContact O-N 3.14Å; T199-K336 HydrophobicContact CG2-CD 3.65Å; T199-K336 WeakPolarHBondContact OG1-CB 3.08Å; T199-K336 WeakPolarHBondContact OG1-CD 3.5Å
200L97.8Very high95.1Very high11 Ų1122.5 Ų22.56%0.05813%0.129CC..EExtended strand (participates in β ladder)trans-86138.5168.3-70.1175.1000111.4L193 L194 D197 A198 A285 I287L193-L200 HydrophobicContact CB-CD1 3.96Å; L194-L200 HydrophobicContact CD1-CB 3.87Å; D197-L200 HydrophobicContact CB-CD1 4.04Å; D197-L200 HydrophobicContact CB-CG 4.12Å; D197-L200 WeakPolarHBondContact O-CB 3.29Å; D197-L200 PolarHBondContact O-N 3.31Å; A198-L200 VanDerWaalsContact C-N 3.28Å; L200-A285 CarbonylContact C-O 3.51Å; L200-A285 VanDerWaalsContact CA-O 3.24Å; L200-A285 WeakPolarHBondContact CA-O 3.36Å; L200-A285 WeakPolarHBondContact CD2-O 3.37Å; L200-I287 HydrophobicContact CD1-CD1 3.74Å; L200-I287 HydrophobicContact CD1-CG1 4.13Å; L200-I287 HydrophobicContact CD2-CD1 4.33Å; L200-I287 HydrophobicContact CD2-CG1 3.78Å
201Y96Very high94.9Very high2 Ų223.6 Ų23.61%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-101.7-38178-166-136.5000111.6F228 L258 I275 R281 R284 A285Y201-F228 AromaticContact CD1-CD2 3.83Å; Y201-F228 HydrophobicContact CD1-CD2 3.83Å; Y201-F228 AromaticContact CE1-CD2 3.84Å; Y201-F228 HydrophobicContact CE1-CD2 3.84Å; Y201-F228 HydrophobicContact CE1-CE2 4.44Å; Y201-L258 HydrophobicContact CD2-CD1 3.87Å; Y201-L258 HydrophobicContact CD2-CD2 3.94Å; Y201-L258 HydrophobicContact CE2-CD1 3.44Å; Y201-L258 VanDerWaalsContact CE2-CD1 3.44Å; Y201-L258 HydrophobicContact CE2-CD2 3.96Å; Y201-L258 HydrophobicContact CE2-CG 4.34Å; Y201-L258 WeakPolarHBondContact O-CD2 3.18Å; Y201-I275 HydrophobicContact CE1-CD1 4.5Å; Y201-I275 HydrophobicContact CE1-CG1 3.92Å; Y201-I275 WeakPolarHBondContact OH-CG1 3.33Å; Y201-I275 PolarHBondContact OH-O 3.47Å; Y201-R281 HydrophobicContact CD1-CG 4.48Å; Y201-R284 HydrophobicContact CD2-CB 4.43Å; Y201-R284 HydrophobicContact CG-CB 4.33Å; Y201-A285 PolarHBondContact N-O 2.85Å
202C96.6Very high94.7Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-161.2168-179.977.60000111.2F228 W252 M253 C286 I287C202-F228 HydrophobicContact CB-CD2 4.39Å; C202-F228 HydrophobicContact CB-CE2 4.01Å; C202-F228 VanDerWaalsContact SG-CD2 3.57Å; C202-F228 VanDerWaalsContact SG-CE2 3.56Å; C202-W252 HydrophobicContact CB-CE3 4.15Å; C202-M253 WeakPolarHBondContact CA-O 3.33Å; C202-C286 HydrophobicContact CB-CB 4.24Å; C202-C286 WeakPolarHBondContact CB-SG 3.44Å; C202-C286 PolarHBondContact N-SG 3.45Å; C202-C286 VanDerWaalsContact N-SG 3.38Å; C202-C286 CarbonylContact O-C 3.53Å; C202-C286 WeakPolarHBondContact O-CA 3.49Å; C202-C286 WeakPolarHBondContact O-CB 3.34Å; C202-C286 WeakPolarHBondContact SG-CB 3.2Å; C202-C286 CovalentContact SG-SG 2.04Å; C202-C286 PolarHBondContact SG-SG 2.92Å; C202-I287 PolarHBondContact O-N 3.28Å
203V97.6Very high94.7Very high0 Ų028.2 Ų28.20%017%0.173CC..EExtended strand (participates in β ladder)trans-113.1124.7160.8179.50000107.1Y186 F187 T190 L194 W252 M253 I287Y186-V203 HydrophobicContact CE1-CG1 3.59Å; Y186-V203 WeakPolarHBondContact OH-CG1 3.4Å; F187-V203 HydrophobicContact CD1-CB 4.45Å; F187-V203 HydrophobicContact CD1-CG1 4.14Å; F187-V203 HydrophobicContact CE1-CB 4.2Å; F187-V203 HydrophobicContact CE1-CG1 3.94Å; T190-V203 HydrophobicContact CG2-CG1 4.21Å; T190-V203 WeakPolarHBondContact OG1-CG1 3.46Å; L194-V203 HydrophobicContact CB-CG2 4.37Å; V203-W252 CarbonylContact O-C 3.46Å; V203-W252 WeakPolarHBondContact O-CA 3.45Å; V203-M253 HydrophobicContact CB-CB 4.28Å; V203-M253 HydrophobicContact CB-CE 4Å; V203-M253 HydrophobicContact CG2-CE 3.77Å; V203-M253 PolarHBondContact N-O 2.94Å; V203-M253 PolarHBondContact O-N 3.44Å; V203-I287 HydrophobicContact CG1-CB 4.24Å; V203-I287 HydrophobicContact CG1-CG2 4.49Å; V203-I287 HydrophobicContact CG2-CB 4.36Å; V203-I287 HydrophobicContact CG2-CD1 4.28Å
204S96.8Very high94.7Very high0 Ų028.2 Ų28.20%017%0.173CC..EExtended strand (participates in β ladder)trans-110.5134.7177.9-175.10000111Y186 W206 G251 I287 P289Y186-S204 PolarHBondContact OH-O 3.45Å; S204-W206 PolarHBondContact O-N 2.93Å; S204-W206 PolarHBondContact OG-N 3.34Å; S204-W206 VanDerWaalsContact OG-N 3.16Å; S204-G251 WeakPolarHBondContact CA-O 3.34Å; S204-G251 PolarHBondContact OG-O 3.47Å; S204-I287 PolarHBondContact N-O 2.65Å; S204-P289 WeakPolarHBondContact O-CD 3.19Å
205A96.9Very high94.8Very high0 Ų028.3 Ų28.30%017%0.174CC..SBendtrans-75.70.417100000113F183 Y186 F187 G251 S292 R293 T294F183-A205 HydrophobicContact CE2-CB 4.31Å; Y186-A205 HydrophobicContact CE1-CB 4.45Å; F187-A205 HydrophobicContact CE2-CB 4.03Å; F187-A205 HydrophobicContact CZ-CB 3.86Å; A205-G251 PolarHBondContact N-O 2.94Å; A205-S292 CarbonylContact O-C 3.54Å; A205-S292 WeakPolarHBondContact O-CA 3.31Å; A205-R293 HydrophobicContact CB-CB 3.74Å; A205-R293 PolarHBondContact O-N 3.47Å; A205-T294 HydrophobicContact CB-CG2 3.68Å; A205-T294 PolarHBondContact O-N 3.5Å; A205-T294 PolarHBondContact O-OG1 3.39Å
206W94.8Very high95Very high0 Ų027.2 Ų27.20%017%0.166CC..  trans-115.7135.6-168.5179.3-93.8000113.2S204 D208 L250 L314 I317S204-W206 PolarHBondContact O-N 2.93Å; S204-W206 PolarHBondContact OG-N 3.34Å; S204-W206 VanDerWaalsContact OG-N 3.16Å; W206-D208 PolarHBondContact NE1-OD1 3.05Å; W206-L250 HydrophobicContact CB-CB 3.94Å; W206-L250 HydrophobicContact CD2-CB 3.69Å; W206-L250 HydrophobicContact CD2-CD1 3.31Å; W206-L250 HydrophobicContact CD2-CG 4.1Å; W206-L250 HydrophobicContact CE3-CB 3.62Å; W206-L250 HydrophobicContact CE3-CD1 3.57Å; W206-L250 HydrophobicContact CE3-CG 4.16Å; W206-L250 HydrophobicContact CG-CB 3.83Å; W206-L250 HydrophobicContact CG-CD1 3.92Å; W206-L250 HydrophobicContact CG-CG 4.45Å; W206-L250 HydrophobicContact CH2-CD1 3.54Å; W206-L250 HydrophobicContact CZ2-CD1 3.27Å; W206-L250 HydrophobicContact CZ3-CB 4.28Å; W206-L250 HydrophobicContact CZ3-CD1 3.65Å; W206-L250 HydrophobicContact CZ3-CG 4.44Å; W206-L314 HydrophobicContact CH2-CD2 4.12Å; W206-L314 HydrophobicContact CZ2-CD2 3.8Å; W206-I317 HydrophobicContact CD2-CG2 4.48Å; W206-I317 HydrophobicContact CE3-CG2 4.18Å; W206-I317 HydrophobicContact CH2-CB 3.63Å; W206-I317 HydrophobicContact CH2-CG1 3.54Å; W206-I317 HydrophobicContact CH2-CG2 3.72Å; W206-I317 HydrophobicContact CZ2-CB 4.06Å; W206-I317 HydrophobicContact CZ2-CD1 4.29Å; W206-I317 HydrophobicContact CZ2-CG1 3.5Å; W206-I317 HydrophobicContact CZ2-CG2 4.04Å; W206-I317 HydrophobicContact CZ3-CB 4.14Å; W206-I317 HydrophobicContact CZ3-CG1 4.48Å; W206-I317 HydrophobicContact CZ3-CG2 3.81Å
207N94.7Very high95.2Very high3 Ų328.5 Ų28.52%0.01617%0.174CC..  trans-108.3112.4166.7-175.3-0.7000110.3N209 G210 P289 E290 S292 T399N207-N209 PolarHBondContact O-N 2.92Å; N207-N209 PolarHBondContact OD1-N 3.43Å; N207-G210 WeakPolarHBondContact O-CA 3.24Å; N207-G210 PolarHBondContact O-N 3.43Å; N207-G210 PolarHBondContact OD1-N 2.89Å; N207-P289 WeakPolarHBondContact CB-O 3.35Å; N207-E290 PolarHBondContact ND2-O 3.14Å; N207-S292 PolarHBondContact N-OG 3.33Å; N207-T399 VanDerWaalsContact OD1-CG2 3.28Å; N207-T399 WeakPolarHBondContact OD1-CG2 3.31Å
208D91.3Very high95.2Very high2 Ų230.4 Ų30.41%0.01118%0.184CC..THydrogen-bonded Turntrans-58.8-32.7177.9-79.1-30.2000113.6W206 G230 I317 M389 R398 T399W206-D208 PolarHBondContact NE1-OD1 3.05Å; D208-G230 PolarHBondContact OD1-N 2.92Å; D208-I317 WeakPolarHBondContact O-CD1 3.18Å; D208-M389 HydrophobicContact CB-CE 4.36Å; D208-M389 HydrophobicContact CB-SD 3.83Å; D208-M389 WeakPolarHBondContact O-CE 3.25Å; D208-R398 HydrophobicContact CB-CB 4.17Å; D208-R398 HydrophobicContact CB-CG 4.49Å; D208-R398 IonicContact OD1-NH1 2.76Å; D208-R398 PolarHBondContact OD1-NH1 3Å; D208-R398 IonicContact OD2-CZ 3.1Å; D208-R398 IonicContact OD2-NH1 2.81Å; D208-R398 PolarHBondContact OD2-NH1 3.21Å; D208-T399 HydrophobicContact CB-CG2 3.82Å
209N93.1Very high95.3Very high3 Ų326.6 Ų26.62%0.01615%0.151CC..THydrogen-bonded Turntrans-101.922174.6-68.4-44.9000112N207 K211 L214 F388 M389 T399N207-N209 PolarHBondContact O-N 2.92Å; N207-N209 PolarHBondContact OD1-N 3.43Å; N209-K211 PolarHBondContact O-N 2.89Å; N209-L214 WeakPolarHBondContact O-CB 3.36Å; N209-F388 WeakPolarHBondContact OD1-CB 3.5Å; N209-M389 PolarHBondContact OD1-N 3.4Å; N209-T399 HydrophobicContact CB-CG2 3.94Å; N209-T399 WeakPolarHBondContact ND2-CG2 3.48Å; N209-T399 PolarHBondContact ND2-OG1 3.43Å
210G94.1Very high95.3Very high0 Ų029.3 Ų29.30%016%0.161CC..  trans-69.734.8-178.600000115.3N207 I317 V318N207-G210 WeakPolarHBondContact O-CA 3.24Å; N207-G210 PolarHBondContact O-N 3.43Å; N207-G210 PolarHBondContact OD1-N 2.89Å; G210-I317 WeakPolarHBondContact O-CA 3.45Å; G210-V318 PolarHBondContact O-N 2.83Å
211K92.3Very high95.3Very high22 Ų2230.3 Ų30.310%0.09617%0.166CC..BIsolated β-bridgetrans-92.9152.2-175.7-54.1179.4-166.1172.80111.2N209 G213 L214 I215 H313 S316 I317 G387N209-K211 PolarHBondContact O-N 2.89Å; K211-G213 PolarHBondContact O-N 3.43Å; K211-L214 HydrophobicContact CB-CD1 4.22Å; K211-L214 HydrophobicContact CD-CD1 4.14Å; K211-L214 HydrophobicContact CG-CD1 4.47Å; K211-L214 PolarHBondContact O-N 2.74Å; K211-I215 WeakPolarHBondContact O-CG1 3.45Å; K211-I215 PolarHBondContact O-N 3.04Å; K211-H313 PolarHBondContact NZ-ND1 3.42Å; K211-S316 WeakPolarHBondContact CA-O 3.44Å; K211-I317 HydrophobicContact CG-CD1 3.67Å; K211-G387 PolarHBondContact NZ-O 3.23Å
212L91Very high95.4Very high145 Ų14530.3 Ų30.376%0.75917%0.166SC*.THydrogen-bonded Turntrans-51.7132.3168.1-69.7175.2000110.7L214 V318L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 PolarHBondContact O-N 3.07Å; L212-V318 HydrophobicContact CD2-CG2 3.68Å; L212-V318 HydrophobicContact CG-CG2 3.66Å
213G92.4Very high95.5Very high47 Ų4731.1 Ų31.149%0.48517%0.169SC..THydrogen-bonded Turntrans83.7-7.2-178.400000115.6K211 F408 F409K211-G213 PolarHBondContact O-N 3.43Å; G213-F408 CarbonylContact C-O 3.59Å; G213-F409 WeakPolarHBondContact O-CD2 3.44Å
214L95.6Very high95.6Very high8 Ų831.2 Ų31.24%0.04217%0.17CC..THydrogen-bonded Turntrans-112-5.4172.9-59.5-178.7000113.5N209 K211 L212 I386 F388 I407 F408 F409N209-L214 WeakPolarHBondContact O-CB 3.36Å; K211-L214 HydrophobicContact CB-CD1 4.22Å; K211-L214 HydrophobicContact CD-CD1 4.14Å; K211-L214 HydrophobicContact CG-CD1 4.47Å; K211-L214 PolarHBondContact O-N 2.74Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L212-L214 PolarHBondContact O-N 3.07Å; L214-I386 HydrophobicContact CD2-CG2 3.72Å; L214-F388 HydrophobicContact CD1-CB 3.87Å; L214-I407 HydrophobicContact CD2-CD1 4.12Å; L214-F408 CarbonylContact C-O 3.46Å; L214-F408 WeakPolarHBondContact CA-O 3.31Å; L214-F408 PolarHBondContact O-N 3.41Å; L214-F409 HydrophobicContact CD2-CD2 4Å
215I96.6Very high95.6Very high19 Ų1931.2 Ų31.210%0.09717%0.17CC..SBendtrans-122.1150.2-179.662.9-175.2000110.9K211 E290 I291 V318 F408K211-I215 WeakPolarHBondContact O-CG1 3.45Å; K211-I215 PolarHBondContact O-N 3.04Å; I215-E290 HydrophobicContact CB-CG 4.22Å; I215-I291 HydrophobicContact CD1-CG1 4.37Å; I215-V318 HydrophobicContact CD1-CB 3.89Å; I215-V318 HydrophobicContact CD1-CG1 4.4Å; I215-V318 HydrophobicContact CD1-CG2 3.92Å; I215-F408 PolarHBondContact N-O 3.38Å
216E96.3Very high95.5Very high62 Ų6232.3 Ų32.329%0.2918%0.176SC..  trans-80.5143.6166.9-171.9170.2-159.800109.4N218 E290 F408 R413E216-N218 HydrophobicContact CB-CB 4.45Å; E216-N218 HydrophobicContact CG-CB 3.98Å; E216-N218 PolarHBondContact O-N 2.67Å; E216-E290 HydrophobicContact CB-CG 4.45Å; E216-E290 PolarHBondContact N-OE1 2.9Å; E216-F408 HydrophobicContact CB-CB 4.04Å; E216-F408 HydrophobicContact CB-CD1 3.99Å; E216-F408 HydrophobicContact CB-CD2 3.92Å; E216-F408 HydrophobicContact CB-CE1 4.39Å; E216-F408 HydrophobicContact CB-CE2 4.33Å; E216-F408 HydrophobicContact CB-CG 3.73Å; E216-F408 HydrophobicContact CG-CD1 4.48Å; E216-F408 HydrophobicContact CG-CD2 4.22Å; E216-F408 HydrophobicContact CG-CE1 4.38Å; E216-F408 HydrophobicContact CG-CE2 4.13Å; E216-F408 HydrophobicContact CG-CG 4.38Å; E216-F408 HydrophobicContact CG-CZ 4.21Å; E216-R413 VanDerWaalsContact CB-NH2 3.31Å; E216-R413 IonicContact OE2-CZ 3.71Å; E216-R413 IonicContact OE2-NH2 2.7Å; E216-R413 PolarHBondContact OE2-NH2 2.72Å
217D95.8Very high95.4Very high125 Ų12532.5 Ų32.567%0.66818%0.176SC*.SBendtrans-7660173.6-173.227.9000111.1R322D217-R322 PolarHBondContact O-NH2 2.99Å; D217-R322 IonicContact OD1-CZ 3.35Å; D217-R322 IonicContact OD1-NH2 3.72Å; D217-R322 PolarHBondContact OD1-NH2 2.87Å; D217-R322 IonicContact OD2-NH2 3.62Å; D217-R322 PolarHBondContact OD2-NH2 3.34Å
218N97Very high95.2Very high54 Ų5432.5 Ų32.529%0.28918%0.176SC..  trans-132.595.8-179.6-175.1-10.4000109.8E216 E220 L221E216-N218 HydrophobicContact CB-CB 4.45Å; E216-N218 HydrophobicContact CG-CB 3.98Å; E216-N218 PolarHBondContact O-N 2.67Å; N218-E220 VanDerWaalsContact C-N 3.29Å; N218-E220 PolarHBondContact O-N 3.45Å; N218-E220 PolarHBondContact OD1-N 2.82Å; N218-L221 HydrophobicContact CB-CB 4.44Å; N218-L221 PolarHBondContact O-N 2.88Å
219P97.5Very high94.8Very high8 Ų832.5 Ų32.55%0.05218%0.176CC..THydrogen-bonded Turntrans-73-20-175.330-37.8000112.8L221 I291 R293 N320 R322 V324P219-L221 VanDerWaalsContact C-N 3.27Å; P219-L221 PolarHBondContact O-N 2.73Å; P219-I291 HydrophobicContact CB-CD1 4.15Å; P219-R293 VanDerWaalsContact O-CZ 3.25Å; P219-R293 PolarHBondContact O-NH1 2.79Å; P219-R293 PolarHBondContact O-NH2 3.24Å; P219-N320 WeakPolarHBondContact CB-OD1 3.12Å; P219-R322 HydrophobicContact CG-CB 4.34Å; P219-V324 HydrophobicContact CB-CG2 3.66Å; P219-V324 HydrophobicContact CG-CG2 3.71Å
220E98Very high93.7Very high104 Ų10432.3 Ų32.349%0.48618%0.175SC..THydrogen-bonded Turntrans-74.4-20.3-178.9-58.6-177-166.600112.6N218 L222 V324 L329N218-E220 VanDerWaalsContact C-N 3.29Å; N218-E220 PolarHBondContact O-N 3.45Å; N218-E220 PolarHBondContact OD1-N 2.82Å; E220-L222 PolarHBondContact O-N 2.9Å; E220-V324 HydrophobicContact CB-CG1 4.45Å; E220-V324 HydrophobicContact CG-CG1 3.82Å; E220-V324 HydrophobicContact CG-CG2 4.18Å; E220-L329 HydrophobicContact CG-CD1 4.46Å
221L97.8Very high92.1Very high33 Ų3332.5 Ų32.517%0.17318%0.176CC..  trans-74.7122.3-172.9-171.655.5000111.6N218 P219 Y223 E290N218-L221 HydrophobicContact CB-CB 4.44Å; N218-L221 PolarHBondContact O-N 2.88Å; P219-L221 VanDerWaalsContact C-N 3.27Å; P219-L221 PolarHBondContact O-N 2.73Å; L221-Y223 HydrophobicContact CD2-CE2 4.05Å; L221-Y223 WeakPolarHBondContact CD2-OH 3.38Å; L221-Y223 HydrophobicContact CG-CE1 4.39Å; L221-Y223 HydrophobicContact CG-CE2 3.74Å; L221-E290 HydrophobicContact CB-CB 3.93Å; L221-E290 HydrophobicContact CD2-CB 4.44Å; L221-E290 HydrophobicContact CD2-CG 4.46Å; L221-E290 HydrophobicContact CG-CB 4.3Å; L221-E290 WeakPolarHBondContact O-CB 3.38Å; L221-E290 PolarHBondContact O-N 2.59Å
222L98.3Very high90Very high2 Ų231.5 Ų31.51%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-120.2154.6176.3-53.7-177.3000110.2Y186 T190 E220 I287 R288 P289 F326 L331 Y333 L334Y186-L222 HydrophobicContact CD2-CD2 4.28Å; Y186-L222 HydrophobicContact CE2-CD1 3.98Å; Y186-L222 HydrophobicContact CE2-CD2 3.65Å; Y186-L222 HydrophobicContact CE2-CG 4.5Å; T190-L222 HydrophobicContact CG2-CD1 4.16Å; E220-L222 PolarHBondContact O-N 2.9Å; L222-I287 HydrophobicContact CB-CG2 4.39Å; L222-I287 HydrophobicContact CD1-CG2 4.45Å; L222-R288 WeakPolarHBondContact CA-O 3.25Å; L222-P289 HydrophobicContact CD2-CB 3.76Å; L222-F326 HydrophobicContact CD1-CD1 4.2Å; L222-F326 HydrophobicContact CD1-CE1 3.78Å; L222-F326 HydrophobicContact CD1-CZ 4.46Å; L222-F326 HydrophobicContact CD2-CE1 3.93Å; L222-F326 HydrophobicContact CD2-CZ 3.92Å; L222-F326 HydrophobicContact CG-CE1 3.92Å; L222-F326 HydrophobicContact CG-CZ 4.42Å; L222-L331 HydrophobicContact CD1-CD1 4.24Å; L222-L331 HydrophobicContact CD1-CD2 4.2Å; L222-Y333 WeakPolarHBondContact CB-OH 3.39Å; L222-Y333 PolarHBondContact N-OH 3.13Å; L222-Y333 PolarHBondContact O-OH 2.94Å; L222-L334 HydrophobicContact CB-CD1 3.81Å; L222-L334 HydrophobicContact CB-CD2 4.07Å; L222-L334 HydrophobicContact CD1-CD1 3.77Å; L222-L334 HydrophobicContact CG-CD1 4.42Å
223Y98.4Very high87.9Confident16 Ų1624.9 Ų24.96%0.06314%0.137CC..EExtended strand (participates in β ladder)trans-133.7154.9-178.3-61-85.5000111.1L221 I287 R288 E290 Y339 T406 R413L221-Y223 HydrophobicContact CD2-CE2 4.05Å; L221-Y223 WeakPolarHBondContact CD2-OH 3.38Å; L221-Y223 HydrophobicContact CG-CE1 4.39Å; L221-Y223 HydrophobicContact CG-CE2 3.74Å; Y223-I287 CarbonylContact O-C 3.45Å; Y223-I287 VanDerWaalsContact O-CA 3.31Å; Y223-I287 WeakPolarHBondContact O-CA 3.42Å; Y223-R288 PolarHBondContact N-O 3.24Å; Y223-R288 PolarHBondContact O-N 2.71Å; Y223-E290 HydrophobicContact CE2-CB 3.88Å; Y223-E290 HydrophobicContact CE2-CG 4.44Å; Y223-E290 WeakPolarHBondContact CE2-OE2 3.25Å; Y223-Y339 WeakPolarHBondContact CA-OH 3.44Å; Y223-T406 HydrophobicContact CE1-CG2 4.2Å; Y223-R413 PolarHBondContact OH-NH1 3.4Å; Y223-R413 PolarHBondContact OH-NH2 2.91Å
224R98.2Very high85.6Confident2 Ų226.8 Ų26.81%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-84.2150.6155.8-59.1-179.672.1101.6-4.6109.7D197 T199 A285 C286 L334 Y339 Y401D197-R224 IonicContact OD2-CZ 3.34Å; D197-R224 IonicContact OD2-NH1 2.67Å; D197-R224 PolarHBondContact OD2-NH1 3.4Å; D197-R224 IonicContact OD2-NH2 3.65Å; T199-R224 PolarHBondContact O-NH2 3.09Å; T199-R224 PolarHBondContact OG1-NH2 2.91Å; R224-A285 HydrophobicContact CB-CB 4.32Å; R224-C286 CarbonylContact C-O 3.55Å; R224-C286 WeakPolarHBondContact CA-O 3.42Å; R224-L334 WeakPolarHBondContact CD-O 3.26Å; R224-L334 PolarHBondContact NH1-O 3.42Å; R224-Y339 HydrophobicContact CB-CD1 3.97Å; R224-Y339 HydrophobicContact CB-CE1 3.64Å; R224-Y339 HydrophobicContact CB-CE2 4.37Å; R224-Y339 HydrophobicContact CB-CG 4.45Å; R224-Y339 VanDerWaalsContact CD-CD1 3.41Å; R224-Y339 VanDerWaalsContact CD-CG 3.43Å; R224-Y339 HydrophobicContact CG-CD1 3.79Å; R224-Y339 HydrophobicContact CG-CD2 3.95Å; R224-Y339 HydrophobicContact CG-CE1 3.91Å; R224-Y339 HydrophobicContact CG-CE2 4.06Å; R224-Y339 HydrophobicContact CG-CG 3.79Å; R224-Y339 VanDerWaalsContact N-CZ 3.29Å; R224-Y339 PolarHBondContact N-OH 3.08Å; R224-Y401 HydrophobicContact CB-CD2 3.66Å; R224-Y401 HydrophobicContact CB-CE2 3.6Å; R224-Y401 HydrophobicContact CB-CG 4.3Å
225T97Very high82.9Confident0 Ų030.9 Ų30.90%015%0.154CC..EExtended strand (participates in β ladder)trans-145.6139.8171.6-1780000110.8F227 P229 A285 C286 R288 T399 A400T225-F227 WeakPolarHBondContact CG2-O 3.34Å; T225-F227 PolarHBondContact O-N 3.49Å; T225-F227 PolarHBondContact OG1-N 2.79Å; T225-P229 HydrophobicContact CG2-CG 3.76Å; T225-A285 CarbonylContact O-C 3.42Å; T225-A285 WeakPolarHBondContact O-CA 3.39Å; T225-A285 VanDerWaalsContact O-CB 3.3Å; T225-A285 WeakPolarHBondContact O-CB 3.5Å; T225-C286 HydrophobicContact CG2-CB 4.35Å; T225-C286 PolarHBondContact N-O 2.81Å; T225-C286 PolarHBondContact O-N 2.74Å; T225-R288 HydrophobicContact CG2-CB 4.26Å; T225-R288 HydrophobicContact CG2-CG 3.85Å; T225-T399 WeakPolarHBondContact OG1-CA 3.02Å; T225-A400 CarbonylContact C-O 3.54Å; T225-A400 VanDerWaalsContact CA-O 3.25Å; T225-A400 WeakPolarHBondContact CA-O 3.48Å; T225-A400 PolarHBondContact OG1-N 2.84Å; T225-A400 PolarHBondContact OG1-O 3.35Å
226D95.3Very high80.2Confident24 Ų2433.8 Ų33.813%0.12817%0.169CC..SBendtrans-79-13.1176.4-57.3-27.3000111.7R281 V396 A400 Y401 K402D226-R281 WeakPolarHBondContact O-CD 3.21Å; D226-R281 PolarHBondContact O-NE 2.92Å; D226-V396 HydrophobicContact CB-CG1 3.75Å; D226-A400 PolarHBondContact N-O 3.4Å; D226-Y401 VanDerWaalsContact OD1-CD2 3.29Å; D226-Y401 WeakPolarHBondContact OD1-CD2 3.35Å; D226-K402 WeakPolarHBondContact OD2-CA 3.31Å; D226-K402 PolarHBondContact OD2-N 3.5Å
227F92.4Very high77.5Confident4 Ų439 Ų392%0.01819%0.191CC..SBendtrans-88.9127.6178-164.9-87.2000109.1T225 P229 A232 K393 V396 R398T225-F227 WeakPolarHBondContact CG2-O 3.34Å; T225-F227 PolarHBondContact O-N 3.49Å; T225-F227 PolarHBondContact OG1-N 2.79Å; F227-P229 WeakPolarHBondContact O-CD 3.48Å; F227-P229 WeakPolarHBondContact O-CG 3.47Å; F227-P229 VanDerWaalsContact O-N 3.09Å; F227-A232 HydrophobicContact CZ-CB 4.01Å; F227-K393 HydrophobicContact CD2-CB 4.44Å; F227-K393 HydrophobicContact CE2-CB 3.67Å; F227-K393 HydrophobicContact CZ-CB 4.36Å; F227-V396 HydrophobicContact CB-CG1 3.98Å; F227-V396 HydrophobicContact CD2-CB 4.43Å; F227-V396 HydrophobicContact CD2-CG1 4.17Å; F227-V396 WeakPolarHBondContact CD2-O 3.24Å; F227-R398 HydrophobicContact CD1-CG 4.2Å; F227-R398 HydrophobicContact CD2-CG 4.3Å; F227-R398 HydrophobicContact CE1-CG 3.92Å; F227-R398 VanDerWaalsContact CE1-NH1 3.35Å; F227-R398 HydrophobicContact CE2-CG 3.98Å; F227-R398 HydrophobicContact CG-CG 4.39Å; F227-R398 HydrophobicContact CZ-CG 3.78Å
228F91.7Very high74.7Confident2 Ų236.9 Ų36.91%0.00918%0.184CC..  trans-66.5107.7170.9-177.9-90.1000109Y201 C202 W252 W271 I275 R276Y201-F228 AromaticContact CD1-CD2 3.83Å; Y201-F228 HydrophobicContact CD1-CD2 3.83Å; Y201-F228 AromaticContact CE1-CD2 3.84Å; Y201-F228 HydrophobicContact CE1-CD2 3.84Å; Y201-F228 HydrophobicContact CE1-CE2 4.44Å; C202-F228 HydrophobicContact CB-CD2 4.39Å; C202-F228 HydrophobicContact CB-CE2 4.01Å; C202-F228 VanDerWaalsContact SG-CD2 3.57Å; C202-F228 VanDerWaalsContact SG-CE2 3.56Å; F228-W252 HydrophobicContact CE2-CD2 4.11Å; F228-W252 AromaticContact CE2-CE3 3.77Å; F228-W252 HydrophobicContact CE2-CE3 3.77Å; F228-W252 AromaticContact CE2-CZ3 3.98Å; F228-W252 HydrophobicContact CE2-CZ3 3.98Å; F228-W252 AromaticContact CZ-CD2 3.59Å; F228-W252 HydrophobicContact CZ-CD2 3.59Å; F228-W252 AromaticContact CZ-CE2 3.84Å; F228-W252 AromaticContact CZ-CE3 3.72Å; F228-W252 HydrophobicContact CZ-CE3 3.72Å; F228-W252 AromaticContact CZ-CG 3.99Å; F228-W252 HydrophobicContact CZ-CG 3.99Å; F228-W252 HydrophobicContact CZ-CH2 4.26Å; F228-W252 HydrophobicContact CZ-CZ2 4.21Å; F228-W252 HydrophobicContact CZ-CZ3 4.01Å; F228-W271 HydrophobicContact CE1-CZ3 4.48Å; F228-I275 HydrophobicContact CD1-CG2 3.87Å; F228-I275 HydrophobicContact CE1-CG2 4.04Å; F228-I275 HydrophobicContact CE2-CD1 4.07Å; F228-I275 HydrophobicContact CG-CG2 4.17Å; F228-I275 HydrophobicContact CZ-CD1 4.12Å; F228-I275 HydrophobicContact CZ-CG2 4.46Å; F228-R276 HydrophobicContact CB-CG 3.78Å; F228-R276 PolarHBondContact O-NE 3.3Å; F228-R276 VanDerWaalsContact O-NE 3.16Å
229P82.5Confident72.2Confident2 Ų241.9 Ų41.91%0.01320%0.204CC..SBendtrans-68.8154.1-168.5-19.234.6000111.9T225 F227 C286 R288T225-P229 HydrophobicContact CG2-CG 3.76Å; F227-P229 WeakPolarHBondContact O-CD 3.48Å; F227-P229 WeakPolarHBondContact O-CG 3.47Å; F227-P229 VanDerWaalsContact O-N 3.09Å; P229-C286 HydrophobicContact CG-CB 4.4Å; P229-R288 HydrophobicContact CG-CB 4.37Å
230G69.5Low69.9Low0 Ų045.5 Ų45.50%023%0.234CC..SBendtrans106.1174.4-163.900000109.3D208 R276 R398D208-G230 PolarHBondContact OD1-N 2.92Å; G230-R276 PolarHBondContact O-NH2 2.82Å; G230-R398 PolarHBondContact O-NH1 3.44Å
231K61Low67Low4 Ų446.6 Ų46.62%0.01724%0.238CC..PPolyproline II helixtrans-91.8133.2-159.6-178-163.2177.3-1690113.7I247 R276 F309K231-I247 CarbonylContact C-O 3.53Å; K231-I247 HydrophobicContact CB-CB 4.29Å; K231-I247 VanDerWaalsContact CB-O 3.31Å; K231-I247 WeakPolarHBondContact CB-O 3.35Å; K231-I247 HydrophobicContact CD-CB 3.58Å; K231-I247 HydrophobicContact CD-CD1 4.18Å; K231-I247 HydrophobicContact CD-CG1 3.86Å; K231-I247 PolarHBondContact N-O 2.86Å; K231-R276 VanDerWaalsContact C-CZ 3.48Å; K231-R276 VanDerWaalsContact N-NH2 3.18Å; K231-R276 PolarHBondContact O-NH1 2.86Å; K231-R276 PolarHBondContact O-NH2 2.78Å; K231-F309 HydrophobicContact CD-CB 4.38Å; K231-F309 HydrophobicContact CD-CD1 4.35Å; K231-F309 HydrophobicContact CD-CD2 4.45Å; K231-F309 HydrophobicContact CD-CE1 4.47Å; K231-F309 HydrophobicContact CD-CE2 4.43Å; K231-F309 HydrophobicContact CD-CG 4.25Å; K231-F309 HydrophobicContact CD-CZ 4.41Å; K231-F309 VanDerWaalsContact CE-CB 3.47Å; K231-F309 VanDerWaalsContact CE-CE1 3.43Å; K231-F309 HydrophobicContact CG-CE1 4.38Å; K231-F309 HydrophobicContact CG-CZ 4.48Å; K231-F309 VanDerWaalsContact NZ-CB 3.34Å
232A48.3Very low64Low1 Ų148.2 Ų48.21%0.00825%0.246CC..PPolyproline II helixtrans-89.5141.8176.200000112.3F227F227-A232 HydrophobicContact CZ-CB 4.01Å
233T46.3Very low60.9Low5 Ų554 Ų543%0.03127%0.268CS..PPolyproline II helixtrans-80144.7167.2-33.90000109.8I244 A246 F270 D273T233-I244 HydrophobicContact CG2-CG2 3.52Å; T233-A246 HydrophobicContact CG2-CB 3.91Å; T233-A246 WeakPolarHBondContact OG1-CB 3.44Å; T233-F270 HydrophobicContact CG2-CD1 4.36Å; T233-F270 HydrophobicContact CG2-CE1 4.45Å; T233-D273 WeakPolarHBondContact CA-OD1 3.49Å; T233-D273 VanDerWaalsContact CB-OD1 3.32Å; T233-D273 WeakPolarHBondContact CB-OD1 3.4Å; T233-D273 WeakPolarHBondContact CB-OD2 3.31Å; T233-D273 PolarHBondContact N-OD1 3.06Å; T233-D273 PolarHBondContact OG1-OD1 2.8Å; T233-D273 PolarHBondContact OG1-OD2 3.25Å
234F43.6Very low57.9Low87 Ų8754.4 Ų54.438%0.38227%0.271SS..  trans-123.8141.4157.4-88.4-96.5000110I236 D391 L392F234-I236 HydrophobicContact CB-CG1 4.49Å; F234-D391 HydrophobicContact CD2-CB 4.5Å; F234-D391 HydrophobicContact CE2-CB 3.88Å; F234-L392 WeakPolarHBondContact CE2-O 3.03Å; F234-L392 WeakPolarHBondContact CZ-O 3.32Å
235I40.3Very low55.4Low95 Ų9556.6 Ų56.649%0.48728%0.281SS..EExtended strand (participates in β ladder)trans-89.3102.3159.4-60.6173.5000105.7F237 I242 I244I235-F237 HydrophobicContact CG2-CD2 3.79Å; I235-F237 HydrophobicContact CG2-CE2 3.56Å; I235-F237 HydrophobicContact CG2-CG 4.39Å; I235-F237 HydrophobicContact CG2-CZ 3.99Å; I235-I242 HydrophobicContact CG2-CG2 4.3Å; I235-I244 HydrophobicContact CG1-CD1 4.17Å
236I38.8Very low52.7Low80 Ų8056.6 Ų56.641%0.4128%0.281SS..EExtended strand (participates in β ladder)trans-87112.7165-61.2175.2000106.9F234 C238F234-I236 HydrophobicContact CB-CG1 4.49Å; I236-C238 VanDerWaalsContact C-N 3.29Å; I236-C238 HydrophobicContact CG2-CB 4.22Å; I236-C238 VanDerWaalsContact CG2-SG 3.58Å; I236-C238 PolarHBondContact O-N 2.04Å
237F40.1Very low50.3Low172 Ų17256.1 Ų56.175%0.75428%0.278SS*.EExtended strand (participates in β ladder)trans-76.681166-75.6-84.3000109.3I235I235-F237 HydrophobicContact CG2-CD2 3.79Å; I235-F237 HydrophobicContact CG2-CE2 3.56Å; I235-F237 HydrophobicContact CG2-CG 4.39Å; I235-F237 HydrophobicContact CG2-CZ 3.99Å
238C37.2Very low48.3Very low79 Ų7956.9 Ų56.953%0.53428%0.282SS..EExtended strand (participates in β ladder)trans-96.5134.6163.8-870000109.6I236 A240 F241I236-C238 VanDerWaalsContact C-N 3.29Å; I236-C238 HydrophobicContact CG2-CB 4.22Å; I236-C238 VanDerWaalsContact CG2-SG 3.58Å; I236-C238 PolarHBondContact O-N 2.04Å; C238-A240 PolarHBondContact O-N 3.06Å; C238-F241 PolarHBondContact O-N 3.1Å; C238-F241 VanDerWaalsContact O-N 3.07Å
239K45Very low46.6Very low160 Ų16056.8 Ų56.870%0.69628%0.282SS*.THydrogen-bonded Turntrans-45.9-16.8-171.8-76.1178.2174.61750117.6
240A48.5Very low46.1Very low83 Ų8356.7 Ų56.769%0.68628%0.281SS*.THydrogen-bonded Turntrans-121.9-18.1-179.600000114.8C238C238-A240 PolarHBondContact O-N 3.06Å
241F36.4Very low47.1Very low128 Ų12856.7 Ų56.756%0.56128%0.281SS*.EExtended strand (participates in β ladder)trans-151.2115-175.8-75.9-89000110.5C238 Y243C238-F241 PolarHBondContact O-N 3.1Å; C238-F241 VanDerWaalsContact O-N 3.07Å; F241-Y243 HydrophobicContact CB-CD2 3.58Å; F241-Y243 HydrophobicContact CB-CE2 3.18Å; F241-Y243 HydrophobicContact CB-CG 4.43Å; F241-Y243 HydrophobicContact CD1-CE2 4.34Å; F241-Y243 AromaticContact CD1-CZ 4Å; F241-Y243 HydrophobicContact CD2-CE2 4.4Å; F241-Y243 AromaticContact CG-CE2 3.76Å; F241-Y243 HydrophobicContact CG-CE2 3.76Å; F241-Y243 AromaticContact CG-CZ 3.84Å; F241-Y243 PolarHBondContact O-N 3.32Å; F241-Y243 VanDerWaalsContact O-N 3.16Å
242I35.8Very low48.7Very low67 Ų6756.6 Ų56.634%0.34428%0.281SS..EExtended strand (participates in β ladder)trans-75.998.4160.3-57.8165.3000106.2K143 F144 I235 I244K143-I242 PolarHBondContact NZ-O 3.24Å; F144-I242 HydrophobicContact CZ-CG2 3.92Å; I235-I242 HydrophobicContact CG2-CG2 4.3Å; I242-I244 HydrophobicContact CG2-CD1 4.41Å; I242-I244 HydrophobicContact CG2-CG1 3.92Å
243Y31.9Very low51.1Low124 Ų12456.5 Ų56.549%0.48628%0.28SS..EExtended strand (participates in β ladder)trans-85116.7167.9-72.8-77.3000108.6F241F241-Y243 HydrophobicContact CB-CD2 3.58Å; F241-Y243 HydrophobicContact CB-CE2 3.18Å; F241-Y243 HydrophobicContact CB-CG 4.43Å; F241-Y243 HydrophobicContact CD1-CE2 4.34Å; F241-Y243 AromaticContact CD1-CZ 4Å; F241-Y243 HydrophobicContact CD2-CE2 4.4Å; F241-Y243 AromaticContact CG-CE2 3.76Å; F241-Y243 HydrophobicContact CG-CE2 3.76Å; F241-Y243 AromaticContact CG-CZ 3.84Å; F241-Y243 PolarHBondContact O-N 3.32Å; F241-Y243 VanDerWaalsContact O-N 3.16Å
244I37.3Very low53.5Low23 Ų2356.3 Ų56.312%0.11828%0.279CS..EExtended strand (participates in β ladder)trans-103.5135.2171.5-68.9-156.2000108.8F144 Y147 T233 I235 I242 F270F144-I244 HydrophobicContact CD1-CB 3.92Å; F144-I244 HydrophobicContact CD1-CD1 3.55Å; F144-I244 HydrophobicContact CD1-CG1 3.95Å; F144-I244 HydrophobicContact CD1-CG2 4.14Å; F144-I244 HydrophobicContact CD2-CD1 3.68Å; F144-I244 HydrophobicContact CE1-CB 3.39Å; F144-I244 HydrophobicContact CE1-CD1 3.21Å; F144-I244 HydrophobicContact CE1-CG1 3.21Å; F144-I244 HydrophobicContact CE1-CG2 4.12Å; F144-I244 HydrophobicContact CE2-CD1 3.3Å; F144-I244 HydrophobicContact CE2-CG1 4.04Å; F144-I244 HydrophobicContact CG-CD1 3.79Å; F144-I244 HydrophobicContact CZ-CB 3.99Å; F144-I244 HydrophobicContact CZ-CD1 3.04Å; F144-I244 HydrophobicContact CZ-CG1 3.24Å; Y147-I244 HydrophobicContact CD2-CG2 4.2Å; Y147-I244 HydrophobicContact CE2-CB 4.41Å; Y147-I244 HydrophobicContact CE2-CG2 3.42Å; Y147-I244 VanDerWaalsContact CE2-CG2 3.42Å; T233-I244 HydrophobicContact CG2-CG2 3.52Å; I235-I244 HydrophobicContact CG1-CD1 4.17Å; I242-I244 HydrophobicContact CG2-CD1 4.41Å; I242-I244 HydrophobicContact CG2-CG1 3.92Å; I244-F270 HydrophobicContact CD1-CE1 4.13Å; I244-F270 HydrophobicContact CD1-CZ 4Å; I244-F270 HydrophobicContact CG2-CE1 3.77Å; I244-F270 HydrophobicContact CG2-CZ 4.49Å
245K44.4Very low56Low49 Ų4953 Ų5321%0.21327%0.266CS..  trans-132.649.4-152.1-103.1-159.9167.6-171.80110.9L308 F309K245-L308 HydrophobicContact CD-CD2 4.34Å; K245-L308 HydrophobicContact CG-CD2 4.14Å; K245-F309 HydrophobicContact CB-CE2 3.25Å; K245-F309 HydrophobicContact CB-CZ 3.43Å; K245-F309 VanDerWaalsContact CB-CZ 3.43Å; K245-F309 HydrophobicContact CD-CD2 4.41Å; K245-F309 HydrophobicContact CD-CE1 4.23Å; K245-F309 HydrophobicContact CD-CE2 3.48Å; K245-F309 VanDerWaalsContact CD-CE2 3.48Å; K245-F309 HydrophobicContact CD-CZ 3.4Å; K245-F309 HydrophobicContact CG-CD2 4.15Å; K245-F309 HydrophobicContact CG-CE2 3.16Å; K245-F309 HydrophobicContact CG-CZ 3.56Å; K245-F309 WeakPolarHBondContact O-CE2 3.39Å; K245-F309 WeakPolarHBondContact O-CZ 3.43Å
246A39.8Very low58.7Low0 Ų050.6 Ų50.60%025%0.252CS..  trans-102.9149.8-17500000114.9Y147 T233 D272 S305Y147-A246 HydrophobicContact CD1-CB 3.83Å; Y147-A246 HydrophobicContact CE1-CB 3.19Å; Y147-A246 PolarHBondContact OH-N 3.44Å; T233-A246 HydrophobicContact CG2-CB 3.91Å; T233-A246 WeakPolarHBondContact OG1-CB 3.44Å; A246-D272 WeakPolarHBondContact CB-OD2 3.49Å; A246-S305 WeakPolarHBondContact O-CB 3.43Å
247I46.3Very low61.4Low13 Ų1352.5 Ų52.57%0.06726%0.259CS..  trans-156.9150.5157.8-60174.3000107.7K231 L250 M296 S305 L314K231-I247 CarbonylContact C-O 3.53Å; K231-I247 HydrophobicContact CB-CB 4.29Å; K231-I247 VanDerWaalsContact CB-O 3.31Å; K231-I247 WeakPolarHBondContact CB-O 3.35Å; K231-I247 HydrophobicContact CD-CB 3.58Å; K231-I247 HydrophobicContact CD-CD1 4.18Å; K231-I247 HydrophobicContact CD-CG1 3.86Å; K231-I247 PolarHBondContact N-O 2.86Å; I247-L250 HydrophobicContact CG2-CD2 4.33Å; I247-M296 HydrophobicContact CD1-CE 4.5Å; I247-M296 HydrophobicContact CG2-CE 4.28Å; I247-S305 WeakPolarHBondContact CD1-OG 3.39Å; I247-L314 HydrophobicContact CD1-CD1 3.71Å
248L49.3Very low64.1Low20 Ų2044.8 Ų44.811%0.10523%0.226CC..  trans-71.5171.4-166.5-58.9162.4000115.1I150 Y154 E174 L250 W271I150-L248 HydrophobicContact CD1-CD1 4.47Å; I150-L248 HydrophobicContact CG2-CD1 4.04Å; I150-L248 HydrophobicContact CG2-CD2 3.5Å; I150-L248 VanDerWaalsContact CG2-CD2 3.5Å; I150-L248 HydrophobicContact CG2-CG 4.35Å; Y154-L248 HydrophobicContact CE2-CD1 3.96Å; Y154-L248 HydrophobicContact CE2-CD2 3.88Å; Y154-L248 HydrophobicContact CE2-CG 4.45Å; E174-L248 VanDerWaalsContact CD-CB 3.49Å; E174-L248 VanDerWaalsContact CD-CD1 3.45Å; E174-L248 HydrophobicContact CG-CD1 4.35Å; E174-L248 WeakPolarHBondContact OE1-CB 3.45Å; E174-L248 VanDerWaalsContact OE2-CD1 3.23Å; E174-L248 WeakPolarHBondContact OE2-CD1 3.3Å; L248-L250 WeakPolarHBondContact O-CG 3.47Å; L248-L250 PolarHBondContact O-N 3.15Å; L248-W271 HydrophobicContact CB-CZ2 4.33Å; L248-W271 VanDerWaalsContact CD2-CE2 3.49Å; L248-W271 HydrophobicContact CD2-CZ2 3.45Å; L248-W271 VanDerWaalsContact CD2-CZ2 3.45Å
249G55.7Low67Low1 Ų141 Ų411%0.0120%0.2CC..  trans-65.3115178.100000111.3G251G249-G251 PolarHBondContact O-N 3.39Å
250L73.4Confident69.5Low0 Ų037.9 Ų37.90%019%0.188CC..SBendtrans-81.655.6-165.4-61.8165.6000112.4L177 W206 I247 L248 T294 M296 L314L177-L250 HydrophobicContact CD2-CB 4.18Å; L177-L250 HydrophobicContact CD2-CD2 3.72Å; W206-L250 HydrophobicContact CB-CB 3.94Å; W206-L250 HydrophobicContact CD2-CB 3.69Å; W206-L250 HydrophobicContact CD2-CD1 3.31Å; W206-L250 HydrophobicContact CD2-CG 4.1Å; W206-L250 HydrophobicContact CE3-CB 3.62Å; W206-L250 HydrophobicContact CE3-CD1 3.57Å; W206-L250 HydrophobicContact CE3-CG 4.16Å; W206-L250 HydrophobicContact CG-CB 3.83Å; W206-L250 HydrophobicContact CG-CD1 3.92Å; W206-L250 HydrophobicContact CG-CG 4.45Å; W206-L250 HydrophobicContact CH2-CD1 3.54Å; W206-L250 HydrophobicContact CZ2-CD1 3.27Å; W206-L250 HydrophobicContact CZ3-CB 4.28Å; W206-L250 HydrophobicContact CZ3-CD1 3.65Å; W206-L250 HydrophobicContact CZ3-CG 4.44Å; I247-L250 HydrophobicContact CG2-CD2 4.33Å; L248-L250 WeakPolarHBondContact O-CG 3.47Å; L248-L250 PolarHBondContact O-N 3.15Å; L250-T294 VanDerWaalsContact O-CB 3.27Å; L250-T294 WeakPolarHBondContact O-CB 3.39Å; L250-T294 WeakPolarHBondContact O-CG2 3.49Å; L250-T294 PolarHBondContact O-OG1 3.4Å; L250-M296 HydrophobicContact CD2-CE 3.39Å; L250-L314 HydrophobicContact CD1-CD2 4.45Å
251G89.3Confident71.8Confident0 Ų036.6 Ų36.60%017%0.168CC..SBendtrans92.4102.6-171.400000111.5V172 S204 A205 G249V172-G251 WeakPolarHBondContact O-CA 3.43Å; S204-G251 WeakPolarHBondContact CA-O 3.34Å; S204-G251 PolarHBondContact OG-O 3.47Å; A205-G251 PolarHBondContact N-O 2.94Å; G249-G251 PolarHBondContact O-N 3.39Å
252W95.8Very high74.7Confident1 Ų130.5 Ų30.50%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-151153.1178.963-73000111.9I171 V172 C202 V203 F228 L254 W271 I275I171-W252 CarbonylContact C-O 3.5Å; I171-W252 WeakPolarHBondContact CA-O 3.43Å; V172-W252 HydrophobicContact CB-CD2 4.45Å; V172-W252 HydrophobicContact CB-CG 4.49Å; V172-W252 HydrophobicContact CB-CZ2 4.41Å; V172-W252 HydrophobicContact CG2-CZ2 4.17Å; V172-W252 PolarHBondContact N-O 2.89Å; V172-W252 PolarHBondContact O-N 3.48Å; V172-W252 VanDerWaalsContact O-N 3.14Å; C202-W252 HydrophobicContact CB-CE3 4.15Å; V203-W252 CarbonylContact O-C 3.46Å; V203-W252 WeakPolarHBondContact O-CA 3.45Å; F228-W252 HydrophobicContact CE2-CD2 4.11Å; F228-W252 AromaticContact CE2-CE3 3.77Å; F228-W252 HydrophobicContact CE2-CE3 3.77Å; F228-W252 AromaticContact CE2-CZ3 3.98Å; F228-W252 HydrophobicContact CE2-CZ3 3.98Å; F228-W252 AromaticContact CZ-CD2 3.59Å; F228-W252 HydrophobicContact CZ-CD2 3.59Å; F228-W252 AromaticContact CZ-CE2 3.84Å; F228-W252 AromaticContact CZ-CE3 3.72Å; F228-W252 HydrophobicContact CZ-CE3 3.72Å; F228-W252 AromaticContact CZ-CG 3.99Å; F228-W252 HydrophobicContact CZ-CG 3.99Å; F228-W252 HydrophobicContact CZ-CH2 4.26Å; F228-W252 HydrophobicContact CZ-CZ2 4.21Å; F228-W252 HydrophobicContact CZ-CZ3 4.01Å; W252-L254 HydrophobicContact CE3-CB 3.93Å; W252-L254 HydrophobicContact CH2-CB 4.23Å; W252-L254 HydrophobicContact CH2-CD1 3.58Å; W252-L254 HydrophobicContact CH2-CD2 4.42Å; W252-L254 HydrophobicContact CH2-CG 4.29Å; W252-L254 HydrophobicContact CZ3-CB 3.44Å; W252-L254 VanDerWaalsContact CZ3-CB 3.44Å; W252-L254 HydrophobicContact CZ3-CD1 3.7Å; W252-L254 HydrophobicContact CZ3-CD2 4.28Å; W252-L254 HydrophobicContact CZ3-CG 3.99Å; W252-W271 HydrophobicContact CZ2-CH2 4.05Å; W252-W271 HydrophobicContact CZ2-CZ3 4.16Å; W252-I275 HydrophobicContact CH2-CD1 4.15Å
253M97.3Very high77.7Confident0 Ų028.2 Ų28.20%013%0.131CC..EExtended strand (participates in β ladder)trans-112.6135.8-179.6-177.5171.263.500110.7I70 V169 A170 I171 F187 Y191 L194 C202 V203I70-M253 HydrophobicContact CG2-SD 4.26Å; V169-M253 HydrophobicContact CG2-CG 3.41Å; V169-M253 VanDerWaalsContact CG2-CG 3.41Å; V169-M253 HydrophobicContact CG2-SD 3.69Å; A170-M253 VanDerWaalsContact O-CA 3.23Å; A170-M253 WeakPolarHBondContact O-CA 3.24Å; I171-M253 HydrophobicContact CG1-CB 4.13Å; I171-M253 HydrophobicContact CG1-CG 4.11Å; I171-M253 HydrophobicContact CG1-SD 4.12Å; F187-M253 HydrophobicContact CB-SD 4.32Å; F187-M253 HydrophobicContact CD1-CB 3.62Å; F187-M253 HydrophobicContact CD1-CE 3.86Å; F187-M253 HydrophobicContact CD1-CG 4.34Å; F187-M253 HydrophobicContact CD1-SD 3.85Å; F187-M253 HydrophobicContact CE1-CB 3.53Å; F187-M253 HydrophobicContact CG-SD 4.48Å; Y191-M253 VanDerWaalsContact CA-CE 3.48Å; Y191-M253 HydrophobicContact CD2-CE 4.45Å; Y191-M253 HydrophobicContact CD2-SD 4.31Å; L194-M253 HydrophobicContact CD2-CE 4.16Å; L194-M253 HydrophobicContact CD2-CG 4.22Å; C202-M253 WeakPolarHBondContact CA-O 3.33Å; V203-M253 HydrophobicContact CB-CB 4.28Å; V203-M253 HydrophobicContact CB-CE 4Å; V203-M253 HydrophobicContact CG2-CE 3.77Å; V203-M253 PolarHBondContact N-O 2.94Å; V203-M253 PolarHBondContact O-N 3.44Å
254L96.6Very high80.8Confident1 Ų127.5 Ų27.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-134.1153.9177.282.8172.4000112L158 L162 V169 A170 V172 W252 L258L158-L254 HydrophobicContact CD2-CD1 4.16Å; L158-L254 HydrophobicContact CD2-CD2 4.12Å; L162-L254 HydrophobicContact CD1-CD1 4.27Å; L162-L254 HydrophobicContact CD1-CD2 4.43Å; L162-L254 HydrophobicContact CD1-CG 4.27Å; V169-L254 WeakPolarHBondContact CA-O 3.19Å; V169-L254 VanDerWaalsContact CG2-O 3.29Å; V169-L254 WeakPolarHBondContact CG2-O 3.16Å; A170-L254 HydrophobicContact CB-CD2 3.86Å; A170-L254 PolarHBondContact N-O 2.76Å; A170-L254 VanDerWaalsContact O-CD2 3.31Å; A170-L254 WeakPolarHBondContact O-CD2 3.29Å; A170-L254 PolarHBondContact O-N 3.17Å; V172-L254 HydrophobicContact CG2-CD2 3.94Å; W252-L254 HydrophobicContact CE3-CB 3.93Å; W252-L254 HydrophobicContact CH2-CB 4.23Å; W252-L254 HydrophobicContact CH2-CD1 3.58Å; W252-L254 HydrophobicContact CH2-CD2 4.42Å; W252-L254 HydrophobicContact CH2-CG 4.29Å; W252-L254 HydrophobicContact CZ3-CB 3.44Å; W252-L254 VanDerWaalsContact CZ3-CB 3.44Å; W252-L254 HydrophobicContact CZ3-CD1 3.7Å; W252-L254 HydrophobicContact CZ3-CD2 4.28Å; W252-L254 HydrophobicContact CZ3-CG 3.99Å; L254-L258 HydrophobicContact CB-CD2 4.24Å
255T96.5Very high83.7Confident17 Ų1730 Ų3010%0.10415%0.151CC..EExtended strand (participates in β ladder)trans-92160.7173.972.60000111.8K168 L194 E257 L258 W259K168-T255 CarbonylContact O-C 3.43Å; K168-T255 WeakPolarHBondContact O-CA 3.21Å; L194-T255 HydrophobicContact CD2-CG2 3.61Å; L194-T255 HydrophobicContact CG-CG2 3.76Å; T255-E257 VanDerWaalsContact C-N 3.29Å; T255-E257 WeakPolarHBondContact CB-OE2 3.14Å; T255-E257 PolarHBondContact O-N 3.41Å; T255-E257 PolarHBondContact OG1-OE2 3.26Å; T255-L258 PolarHBondContact O-N 3.5Å; T255-L258 PolarHBondContact OG1-N 2.95Å; T255-W259 PolarHBondContact O-N 3.13Å
256K97Very high86.2Confident45 Ų4528.7 Ų28.720%0.19615%0.145CC..Hα-helixtrans-61.4-38173.4179.8169.9-177.1156.40112L162 D163 K168 L258 W259 H260L162-K256 HydrophobicContact CB-CG 4.35Å; L162-K256 HydrophobicContact CD2-CB 4.33Å; L162-K256 WeakPolarHBondContact O-CD 3.31Å; L162-K256 WeakPolarHBondContact O-CE 3.48Å; L162-K256 PolarHBondContact O-NZ 3.16Å; D163-K256 WeakPolarHBondContact OD1-CE 3.29Å; D163-K256 IonicContact OD1-NZ 2.78Å; K168-K256 WeakPolarHBondContact O-CB 3.44Å; K168-K256 PolarHBondContact O-N 2.88Å; K256-L258 VanDerWaalsContact C-N 3.31Å; K256-L258 PolarHBondContact O-N 3.27Å; K256-W259 WeakPolarHBondContact O-CA 3.48Å; K256-W259 WeakPolarHBondContact O-CB 3.47Å; K256-W259 PolarHBondContact O-N 3.31Å; K256-W259 VanDerWaalsContact O-N 3.1Å; K256-H260 WeakPolarHBondContact CE-NE2 3.33Å; K256-H260 PolarHBondContact O-N 3.07Å
257E96.1Very high88.8Confident119 Ų11930 Ų3056%0.55615%0.153SC*.Hα-helixtrans-62.7-41.1178.4-6171.4-15400110.7T255 W259 H260 E261T255-E257 VanDerWaalsContact C-N 3.29Å; T255-E257 WeakPolarHBondContact CB-OE2 3.14Å; T255-E257 PolarHBondContact O-N 3.41Å; T255-E257 PolarHBondContact OG1-OE2 3.26Å; E257-W259 VanDerWaalsContact C-N 3.35Å; E257-H260 PolarHBondContact O-N 3.03Å; E257-E261 PolarHBondContact O-N 3.14Å; E257-E261 VanDerWaalsContact O-N 3.15Å
258L96.3Very high91.1Very high11 Ų1134.6 Ų34.66%0.05818%0.182CC..Hα-helixtrans-65.3-40.9173.2177.160.8000111.3Y201 L254 T255 K256 H260 E261 L262Y201-L258 HydrophobicContact CD2-CD1 3.87Å; Y201-L258 HydrophobicContact CD2-CD2 3.94Å; Y201-L258 HydrophobicContact CE2-CD1 3.44Å; Y201-L258 VanDerWaalsContact CE2-CD1 3.44Å; Y201-L258 HydrophobicContact CE2-CD2 3.96Å; Y201-L258 HydrophobicContact CE2-CG 4.34Å; Y201-L258 WeakPolarHBondContact O-CD2 3.18Å; L254-L258 HydrophobicContact CB-CD2 4.24Å; T255-L258 PolarHBondContact O-N 3.5Å; T255-L258 PolarHBondContact OG1-N 2.95Å; K256-L258 VanDerWaalsContact C-N 3.31Å; K256-L258 PolarHBondContact O-N 3.27Å; L258-H260 VanDerWaalsContact C-N 3.33Å; L258-H260 PolarHBondContact O-N 2.95Å; L258-E261 WeakPolarHBondContact O-CB 3.34Å; L258-E261 PolarHBondContact O-N 3.22Å; L258-E261 VanDerWaalsContact O-N 3.14Å; L258-L262 HydrophobicContact CD1-CD1 3.93Å; L258-L262 HydrophobicContact CD1-CD2 4.38Å; L258-L262 HydrophobicContact CD1-CG 3.92Å; L258-L262 HydrophobicContact CD2-CD1 4.38Å; L258-L262 HydrophobicContact CG-CD1 3.89Å; L258-L262 HydrophobicContact CG-CG 4.26Å; L258-L262 WeakPolarHBondContact O-CG 3.28Å; L258-L262 PolarHBondContact O-N 2.98Å
259W97.6Very high93.1Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-59.3-43.7175.8179.3-117.7000112.2R155 L158 D159 L162 T255 K256 E257 E261 L262 S263 W266R155-W259 HydrophobicContact CB-CH2 4.39Å; R155-W259 HydrophobicContact CG-CH2 4.14Å; R155-W259 HydrophobicContact CG-CZ2 4.26Å; R155-W259 WeakPolarHBondContact O-CZ2 3.3Å; L158-W259 HydrophobicContact CB-CD2 3.81Å; L158-W259 HydrophobicContact CB-CE3 3.92Å; L158-W259 HydrophobicContact CB-CH2 3.82Å; L158-W259 HydrophobicContact CB-CZ2 3.64Å; L158-W259 HydrophobicContact CB-CZ3 3.93Å; L158-W259 HydrophobicContact CD1-CD2 4.43Å; L158-W259 HydrophobicContact CD1-CE3 3.69Å; L158-W259 HydrophobicContact CD1-CH2 3.95Å; L158-W259 HydrophobicContact CD1-CZ3 3.42Å; L158-W259 VanDerWaalsContact CD1-CZ3 3.42Å; L158-W259 HydrophobicContact CG-CE3 4.36Å; L158-W259 HydrophobicContact CG-CZ3 4.31Å; D159-W259 VanDerWaalsContact OD1-CE2 3.26Å; D159-W259 WeakPolarHBondContact OD1-CZ2 2.79Å; D159-W259 PolarHBondContact OD1-NE1 3.2Å; L162-W259 HydrophobicContact CB-CG 4.42Å; L162-W259 HydrophobicContact CD1-CB 3.39Å; L162-W259 HydrophobicContact CD1-CD2 4.39Å; L162-W259 HydrophobicContact CD1-CG 3.6Å; T255-W259 PolarHBondContact O-N 3.13Å; K256-W259 WeakPolarHBondContact O-CA 3.48Å; K256-W259 WeakPolarHBondContact O-CB 3.47Å; K256-W259 PolarHBondContact O-N 3.31Å; K256-W259 VanDerWaalsContact O-N 3.1Å; E257-W259 VanDerWaalsContact C-N 3.35Å; W259-E261 PolarHBondContact O-N 3Å; W259-L262 PolarHBondContact O-N 3.18Å; W259-S263 VanDerWaalsContact CE2-CB 3.46Å; W259-S263 VanDerWaalsContact CZ2-CB 3.45Å; W259-S263 VanDerWaalsContact O-CB 3.28Å; W259-S263 WeakPolarHBondContact O-CB 3.45Å; W259-S263 PolarHBondContact O-N 3.45Å; W259-S263 PolarHBondContact O-OG 3.18Å; W259-W266 HydrophobicContact CH2-CD2 4.12Å; W259-W266 AromaticContact CH2-CE3 3.98Å; W259-W266 HydrophobicContact CH2-CE3 3.98Å; W259-W266 HydrophobicContact CH2-CZ3 4.4Å; W259-W266 HydrophobicContact CZ3-CD2 4.14Å; W259-W266 AromaticContact CZ3-CE3 3.54Å; W259-W266 HydrophobicContact CZ3-CE3 3.54Å; W259-W266 HydrophobicContact CZ3-CH2 4.29Å; W259-W266 AromaticContact CZ3-CZ3 3.65Å; W259-W266 HydrophobicContact CZ3-CZ3 3.65Å
260H98.2Very high94.6Very high93 Ų9335.7 Ų35.743%0.43119%0.189SC..Hα-helixtrans-62.2-29.9175.7-72.6-171.2000113.3D163 K256 E257 L258 P264D163-H260 IonicContact OD1-CD2 3.24Å; D163-H260 IonicContact OD1-CE1 3.83Å; D163-H260 IonicContact OD1-NE2 2.93Å; D163-H260 PolarHBondContact OD1-NE2 3.41Å; D163-H260 IonicContact OD2-NE2 2.91Å; K256-H260 WeakPolarHBondContact CE-NE2 3.33Å; K256-H260 PolarHBondContact O-N 3.07Å; E257-H260 PolarHBondContact O-N 3.03Å; L258-H260 VanDerWaalsContact C-N 3.33Å; L258-H260 PolarHBondContact O-N 2.95Å; H260-P264 VanDerWaalsContact O-CD 3.22Å; H260-P264 WeakPolarHBondContact O-CD 3.45Å
261E97.5Very high95.5Very high56 Ų5635.8 Ų35.826%0.26219%0.189SC..Hα-helixtrans-70.8-40.6172.1-164.3-151.4122.800112E257 L258 W259 K265 R284E257-E261 PolarHBondContact O-N 3.14Å; E257-E261 VanDerWaalsContact O-N 3.15Å; L258-E261 WeakPolarHBondContact O-CB 3.34Å; L258-E261 PolarHBondContact O-N 3.22Å; L258-E261 VanDerWaalsContact O-N 3.14Å; W259-E261 PolarHBondContact O-N 3Å; E261-K265 WeakPolarHBondContact O-CE 3.34Å; E261-K265 IonicContact OE1-NZ 3.52Å; E261-K265 PolarHBondContact OE1-NZ 3.22Å; E261-R284 VanDerWaalsContact CD-NH2 3.33Å; E261-R284 IonicContact OE1-NH2 2.74Å; E261-R284 PolarHBondContact OE1-NH2 2.79Å; E261-R284 VanDerWaalsContact OE1-NH2 3.1Å; E261-R284 IonicContact OE2-CZ 3.71Å; E261-R284 VanDerWaalsContact OE2-CZ 3.24Å; E261-R284 IonicContact OE2-NH1 4Å; E261-R284 PolarHBondContact OE2-NH1 3.43Å; E261-R284 IonicContact OE2-NH2 2.78Å; E261-R284 PolarHBondContact OE2-NH2 2.82Å
262L97.7Very high95.3Very high0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-86.3-37.4-172.6-63.1179.3000113.6L258 W259 P264 K265 W266 W274 I275 Q280L258-L262 HydrophobicContact CD1-CD1 3.93Å; L258-L262 HydrophobicContact CD1-CD2 4.38Å; L258-L262 HydrophobicContact CD1-CG 3.92Å; L258-L262 HydrophobicContact CD2-CD1 4.38Å; L258-L262 HydrophobicContact CG-CD1 3.89Å; L258-L262 HydrophobicContact CG-CG 4.26Å; L258-L262 WeakPolarHBondContact O-CG 3.28Å; L258-L262 PolarHBondContact O-N 2.98Å; W259-L262 PolarHBondContact O-N 3.18Å; L262-P264 VanDerWaalsContact C-CD 3.45Å; L262-K265 CarbonylContact O-C 3.5Å; L262-K265 VanDerWaalsContact O-CG 3.29Å; L262-K265 WeakPolarHBondContact O-CG 3.13Å; L262-K265 PolarHBondContact O-N 3.38Å; L262-K265 VanDerWaalsContact O-N 3.11Å; L262-W266 HydrophobicContact CB-CE3 4.4Å; L262-W266 PolarHBondContact O-N 3.4Å; L262-W274 HydrophobicContact CB-CH2 4.11Å; L262-W274 HydrophobicContact CB-CZ3 4.44Å; L262-W274 HydrophobicContact CD2-CH2 3.86Å; L262-W274 HydrophobicContact CD2-CZ3 4.17Å; L262-I275 HydrophobicContact CD1-CD1 3.98Å; L262-I275 HydrophobicContact CD1-CG1 4.3Å; L262-Q280 HydrophobicContact CD2-CB 4.23Å; L262-Q280 HydrophobicContact CD2-CG 4.39Å
263S97.4Very high94.9Very high20 Ų2036.8 Ų36.814%0.1420%0.195CC..G310 helixtrans-59.7-37.8-170.277.80000114.4W259 K265 W266W259-S263 VanDerWaalsContact CE2-CB 3.46Å; W259-S263 VanDerWaalsContact CZ2-CB 3.45Å; W259-S263 VanDerWaalsContact O-CB 3.28Å; W259-S263 WeakPolarHBondContact O-CB 3.45Å; W259-S263 PolarHBondContact O-N 3.45Å; W259-S263 PolarHBondContact O-OG 3.18Å; S263-K265 PolarHBondContact O-N 3.07Å; S263-W266 WeakPolarHBondContact O-CB 3.01Å; S263-W266 PolarHBondContact O-N 3.34Å
264P97.9Very high94.6Very high108 Ų10838.9 Ų38.970%0.70120%0.202SC*.G310 helixtrans-69.5-24.7179.1-20.135.1000113H260 L262H260-P264 VanDerWaalsContact O-CD 3.22Å; H260-P264 WeakPolarHBondContact O-CD 3.45Å; L262-P264 VanDerWaalsContact C-CD 3.45Å
265K97.2Very high94.4Very high76 Ų7638.8 Ų38.833%0.3320%0.202SC..G310 helixtrans-107.38-178.253.4174.5-172.5-1630113E261 L262 S263 W274E261-K265 WeakPolarHBondContact O-CE 3.34Å; E261-K265 IonicContact OE1-NZ 3.52Å; E261-K265 PolarHBondContact OE1-NZ 3.22Å; L262-K265 CarbonylContact O-C 3.5Å; L262-K265 VanDerWaalsContact O-CG 3.29Å; L262-K265 WeakPolarHBondContact O-CG 3.13Å; L262-K265 PolarHBondContact O-N 3.38Å; L262-K265 VanDerWaalsContact O-N 3.11Å; S263-K265 PolarHBondContact O-N 3.07Å; K265-W274 HydrophobicContact CB-CZ2 4.06Å; K265-W274 HydrophobicContact CD-CH2 4.48Å; K265-W274 HydrophobicContact CD-CZ2 4Å; K265-W274 HydrophobicContact CG-CH2 4.01Å; K265-W274 HydrophobicContact CG-CZ2 3.66Å; K265-W274 WeakPolarHBondContact O-CZ2 3.04Å
266W97.3Very high94.1Very high21 Ų2138.2 Ų38.28%0.0820%0.198CC..  trans-60.2131.8-174.6-168.9-92000111.7A151 R155 L158 W259 L262 S263 W271 W274A151-W266 PolarHBondContact O-NE1 2.58Å; R155-W266 HydrophobicContact CB-CG 4.14Å; R155-W266 HydrophobicContact CG-CB 4.48Å; R155-W266 HydrophobicContact CG-CG 4.22Å; L158-W266 HydrophobicContact CD1-CH2 4.4Å; W259-W266 HydrophobicContact CH2-CD2 4.12Å; W259-W266 AromaticContact CH2-CE3 3.98Å; W259-W266 HydrophobicContact CH2-CE3 3.98Å; W259-W266 HydrophobicContact CH2-CZ3 4.4Å; W259-W266 HydrophobicContact CZ3-CD2 4.14Å; W259-W266 AromaticContact CZ3-CE3 3.54Å; W259-W266 HydrophobicContact CZ3-CE3 3.54Å; W259-W266 HydrophobicContact CZ3-CH2 4.29Å; W259-W266 AromaticContact CZ3-CZ3 3.65Å; W259-W266 HydrophobicContact CZ3-CZ3 3.65Å; L262-W266 HydrophobicContact CB-CE3 4.4Å; L262-W266 PolarHBondContact O-N 3.4Å; S263-W266 WeakPolarHBondContact O-CB 3.01Å; S263-W266 PolarHBondContact O-N 3.34Å; W266-W271 HydrophobicContact CH2-CB 3.99Å; W266-W271 AromaticContact CH2-CD2 3.7Å; W266-W271 HydrophobicContact CH2-CD2 3.7Å; W266-W271 AromaticContact CH2-CE3 3.46Å; W266-W271 HydrophobicContact CH2-CE3 3.46Å; W266-W271 VanDerWaalsContact CH2-CE3 3.46Å; W266-W271 AromaticContact CH2-CG 3.94Å; W266-W271 HydrophobicContact CH2-CG 3.94Å; W266-W271 HydrophobicContact CH2-CZ3 4.21Å; W266-W271 HydrophobicContact CZ2-CB 3.44Å; W266-W271 VanDerWaalsContact CZ2-CB 3.44Å; W266-W271 AromaticContact CZ2-CD2 3.67Å; W266-W271 HydrophobicContact CZ2-CD2 3.67Å; W266-W271 AromaticContact CZ2-CE3 3.95Å; W266-W271 HydrophobicContact CZ2-CE3 3.95Å; W266-W271 AromaticContact CZ2-CG 3.44Å; W266-W271 HydrophobicContact CZ2-CG 3.44Å; W266-W271 VanDerWaalsContact CZ2-CG 3.44Å; W266-W271 HydrophobicContact CZ3-CE3 4.36Å; W266-W274 HydrophobicContact CD2-CZ3 4.44Å; W266-W274 HydrophobicContact CE3-CE3 4.47Å; W266-W274 HydrophobicContact CE3-CH2 4.18Å; W266-W274 AromaticContact CE3-CZ3 3.65Å; W266-W274 HydrophobicContact CE3-CZ3 3.65Å; W266-W274 AromaticContact CZ3-CZ3 3.91Å; W266-W274 HydrophobicContact CZ3-CZ3 3.91Å
267P95.3Very high93.9Very high27 Ų2737.2 Ų37.218%0.17520%0.197CC..  trans-79160.7-172.634.1-37.4000111.7G269 W271 W274P267-G269 VanDerWaalsContact C-N 3.31Å; P267-G269 PolarHBondContact O-N 3.47Å; P267-W271 HydrophobicContact CG-CB 3.83Å; P267-W274 HydrophobicContact CB-CB 4.39Å; P267-W274 HydrophobicContact CB-CD2 4.41Å; P267-W274 HydrophobicContact CB-CG 4.09Å; P267-W274 VanDerWaalsContact CD-CD2 3.47Å; P267-W274 VanDerWaalsContact CD-CE3 3.49Å; P267-W274 HydrophobicContact CG-CB 3.81Å; P267-W274 HydrophobicContact CG-CD2 3.67Å; P267-W274 HydrophobicContact CG-CE3 3.91Å; P267-W274 HydrophobicContact CG-CG 3.62Å
268T93.1Very high93.8Very high110 Ų11034 Ų3468%0.67519%0.186SC*.SBendtrans-75.8-18.2178.553.80000113.7Y148Y148-T268 VanDerWaalsContact CA-O 3.28Å; Y148-T268 WeakPolarHBondContact CA-O 3.3Å; Y148-T268 WeakPolarHBondContact CD1-O 3.47Å
269G91.2Very high93.7Very high9 Ų938 Ų389%0.09321%0.205CC..SBendtrans-161.9166.5178.500000110.5P267 W271P267-G269 VanDerWaalsContact C-N 3.31Å; P267-G269 PolarHBondContact O-N 3.47Å; G269-W271 VanDerWaalsContact C-N 3.28Å; G269-W271 PolarHBondContact O-N 3.42Å
270F88.6Confident93.5Very high35 Ų3538.8 Ų38.815%0.15421%0.208CC..  trans54.542176.4-52.3-81.4000113.5M141 F144 Y147 Y148 T233 I244 D272 D273 W274M141-F270 HydrophobicContact CE-CE2 4.31Å; F144-F270 HydrophobicContact CB-CZ 3.93Å; F144-F270 HydrophobicContact CG-CZ 4.17Å; Y147-F270 HydrophobicContact CD1-CD1 4.43Å; Y147-F270 HydrophobicContact CD1-CE1 4.32Å; Y147-F270 HydrophobicContact CD2-CD1 4.33Å; Y147-F270 AromaticContact CD2-CE1 3.48Å; Y147-F270 HydrophobicContact CD2-CE1 3.48Å; Y147-F270 VanDerWaalsContact CD2-CE1 3.48Å; Y147-F270 AromaticContact CD2-CZ 3.84Å; Y147-F270 HydrophobicContact CD2-CZ 3.84Å; Y147-F270 HydrophobicContact CE2-CE1 4.06Å; Y147-F270 HydrophobicContact CG-CD1 4.01Å; Y147-F270 AromaticContact CG-CE1 3.61Å; Y147-F270 HydrophobicContact CG-CE1 3.61Å; Y147-F270 HydrophobicContact CG-CZ 4.15Å; Y148-F270 AromaticContact CE2-CE2 3.88Å; Y148-F270 HydrophobicContact CE2-CE2 3.88Å; T233-F270 HydrophobicContact CG2-CD1 4.36Å; T233-F270 HydrophobicContact CG2-CE1 4.45Å; I244-F270 HydrophobicContact CD1-CE1 4.13Å; I244-F270 HydrophobicContact CD1-CZ 4Å; I244-F270 HydrophobicContact CG2-CE1 3.77Å; I244-F270 HydrophobicContact CG2-CZ 4.49Å; F270-D272 VanDerWaalsContact C-OD1 3.3Å; F270-D272 PolarHBondContact O-N 3.29Å; F270-D273 PolarHBondContact O-N 2.96Å; F270-W274 PolarHBondContact O-N 2.95Å; F270-W274 VanDerWaalsContact O-N 3.16Å
271W91Very high93.3Very high2 Ų235.1 Ų35.11%0.00819%0.19CC..Hα-helixtrans-61.5-30.7-17675.2-96.4000112.8A151 Y154 F228 L248 W252 W266 P267 G269 W274 I275A151-W271 HydrophobicContact CB-CB 4.22Å; Y154-W271 AromaticContact CD1-CE2 3.77Å; Y154-W271 HydrophobicContact CD1-CH2 4.18Å; Y154-W271 AromaticContact CD1-CZ2 3.57Å; Y154-W271 HydrophobicContact CD1-CZ2 3.57Å; Y154-W271 HydrophobicContact CD2-CZ2 4.49Å; Y154-W271 AromaticContact CD2-NE1 3.69Å; Y154-W271 AromaticContact CE1-CE2 3.91Å; Y154-W271 AromaticContact CE1-CH2 3.91Å; Y154-W271 HydrophobicContact CE1-CH2 3.91Å; Y154-W271 AromaticContact CE1-CZ2 3.28Å; Y154-W271 HydrophobicContact CE1-CZ2 3.28Å; Y154-W271 HydrophobicContact CE2-CZ2 4.27Å; Y154-W271 AromaticContact CE2-NE1 3.97Å; Y154-W271 AromaticContact CG-CE2 3.94Å; Y154-W271 HydrophobicContact CG-CZ2 4.18Å; Y154-W271 AromaticContact CG-NE1 3.71Å; Y154-W271 AromaticContact CZ-CZ2 3.68Å; F228-W271 HydrophobicContact CE1-CZ3 4.48Å; L248-W271 HydrophobicContact CB-CZ2 4.33Å; L248-W271 VanDerWaalsContact CD2-CE2 3.49Å; L248-W271 HydrophobicContact CD2-CZ2 3.45Å; L248-W271 VanDerWaalsContact CD2-CZ2 3.45Å; W252-W271 HydrophobicContact CZ2-CH2 4.05Å; W252-W271 HydrophobicContact CZ2-CZ3 4.16Å; W266-W271 HydrophobicContact CH2-CB 3.99Å; W266-W271 AromaticContact CH2-CD2 3.7Å; W266-W271 HydrophobicContact CH2-CD2 3.7Å; W266-W271 AromaticContact CH2-CE3 3.46Å; W266-W271 HydrophobicContact CH2-CE3 3.46Å; W266-W271 VanDerWaalsContact CH2-CE3 3.46Å; W266-W271 AromaticContact CH2-CG 3.94Å; W266-W271 HydrophobicContact CH2-CG 3.94Å; W266-W271 HydrophobicContact CH2-CZ3 4.21Å; W266-W271 HydrophobicContact CZ2-CB 3.44Å; W266-W271 VanDerWaalsContact CZ2-CB 3.44Å; W266-W271 AromaticContact CZ2-CD2 3.67Å; W266-W271 HydrophobicContact CZ2-CD2 3.67Å; W266-W271 AromaticContact CZ2-CE3 3.95Å; W266-W271 HydrophobicContact CZ2-CE3 3.95Å; W266-W271 AromaticContact CZ2-CG 3.44Å; W266-W271 HydrophobicContact CZ2-CG 3.44Å; W266-W271 VanDerWaalsContact CZ2-CG 3.44Å; W266-W271 HydrophobicContact CZ3-CE3 4.36Å; P267-W271 HydrophobicContact CG-CB 3.83Å; G269-W271 VanDerWaalsContact C-N 3.28Å; G269-W271 PolarHBondContact O-N 3.42Å; W271-W274 PolarHBondContact O-N 2.79Å; W271-I275 HydrophobicContact CE3-CB 4.3Å; W271-I275 HydrophobicContact CE3-CD1 4.25Å; W271-I275 HydrophobicContact CE3-CG2 4.12Å; W271-I275 HydrophobicContact CZ3-CB 4.48Å; W271-I275 HydrophobicContact CZ3-CD1 3.92Å; W271-I275 HydrophobicContact CZ3-CG2 4Å; W271-I275 WeakPolarHBondContact O-CB 3.49Å; W271-I275 PolarHBondContact O-N 3.3Å
272D85.6Confident93.2Very high4 Ų436.9 Ų36.92%0.02120%0.201CC..Hα-helixtrans-66.5-38.3178.755.1-24.8000112.3A246 F270 I275 R276A246-D272 WeakPolarHBondContact CB-OD2 3.49Å; F270-D272 VanDerWaalsContact C-OD1 3.3Å; F270-D272 PolarHBondContact O-N 3.29Å; D272-I275 WeakPolarHBondContact O-CG2 3.49Å; D272-R276 PolarHBondContact O-NH1 2.88Å
273D86.5Confident93Very high19 Ų1943.3 Ų43.310%0.10224%0.236CC..Hα-helixtrans-72.1-40.9170.7-67.2-43.8000112.7T233 F270 I275 R276 S277 K393T233-D273 WeakPolarHBondContact CA-OD1 3.49Å; T233-D273 VanDerWaalsContact CB-OD1 3.32Å; T233-D273 WeakPolarHBondContact CB-OD1 3.4Å; T233-D273 WeakPolarHBondContact CB-OD2 3.31Å; T233-D273 PolarHBondContact N-OD1 3.06Å; T233-D273 PolarHBondContact OG1-OD1 2.8Å; T233-D273 PolarHBondContact OG1-OD2 3.25Å; F270-D273 PolarHBondContact O-N 2.96Å; D273-I275 VanDerWaalsContact C-N 3.33Å; D273-R276 PolarHBondContact O-N 3.19Å; D273-R276 IonicContact OD1-NH1 3.86Å; D273-S277 PolarHBondContact O-OG 3.46Å; D273-K393 VanDerWaalsContact O-CE 3.31Å; D273-K393 WeakPolarHBondContact O-CE 3.44Å
274W91.9Very high93Very high43 Ų4344.1 Ų44.116%0.16324%0.236CC..Hα-helixtrans-63.3-41-177.616988.6000111.4L262 K265 W266 P267 F270 W271 R276 S277 Q280L262-W274 HydrophobicContact CB-CH2 4.11Å; L262-W274 HydrophobicContact CB-CZ3 4.44Å; L262-W274 HydrophobicContact CD2-CH2 3.86Å; L262-W274 HydrophobicContact CD2-CZ3 4.17Å; K265-W274 HydrophobicContact CB-CZ2 4.06Å; K265-W274 HydrophobicContact CD-CH2 4.48Å; K265-W274 HydrophobicContact CD-CZ2 4Å; K265-W274 HydrophobicContact CG-CH2 4.01Å; K265-W274 HydrophobicContact CG-CZ2 3.66Å; K265-W274 WeakPolarHBondContact O-CZ2 3.04Å; W266-W274 HydrophobicContact CD2-CZ3 4.44Å; W266-W274 HydrophobicContact CE3-CE3 4.47Å; W266-W274 HydrophobicContact CE3-CH2 4.18Å; W266-W274 AromaticContact CE3-CZ3 3.65Å; W266-W274 HydrophobicContact CE3-CZ3 3.65Å; W266-W274 AromaticContact CZ3-CZ3 3.91Å; W266-W274 HydrophobicContact CZ3-CZ3 3.91Å; P267-W274 HydrophobicContact CB-CB 4.39Å; P267-W274 HydrophobicContact CB-CD2 4.41Å; P267-W274 HydrophobicContact CB-CG 4.09Å; P267-W274 VanDerWaalsContact CD-CD2 3.47Å; P267-W274 VanDerWaalsContact CD-CE3 3.49Å; P267-W274 HydrophobicContact CG-CB 3.81Å; P267-W274 HydrophobicContact CG-CD2 3.67Å; P267-W274 HydrophobicContact CG-CE3 3.91Å; P267-W274 HydrophobicContact CG-CG 3.62Å; F270-W274 PolarHBondContact O-N 2.95Å; F270-W274 VanDerWaalsContact O-N 3.16Å; W271-W274 PolarHBondContact O-N 2.79Å; W274-R276 PolarHBondContact O-N 3.1Å; W274-S277 WeakPolarHBondContact O-CB 3.16Å; W274-S277 PolarHBondContact O-N 2.87Å; W274-S277 VanDerWaalsContact O-N 3.07Å; W274-Q280 HydrophobicContact CD2-CG 3.81Å; W274-Q280 VanDerWaalsContact CE2-CG 3.46Å; W274-Q280 HydrophobicContact CE3-CG 4.1Å; W274-Q280 HydrophobicContact CH2-CG 3.76Å; W274-Q280 HydrophobicContact CZ2-CG 3.43Å; W274-Q280 VanDerWaalsContact CZ2-CG 3.43Å; W274-Q280 HydrophobicContact CZ3-CG 4.07Å; W274-Q280 VanDerWaalsContact NE1-NE2 3.15Å; W274-Q280 WeakPolarHBondContact O-CG 3.44Å; W274-Q280 PolarHBondContact O-OE1 2.99Å
275I92.6Very high92.9Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-66.4-22.2-179.8-157171.8000112.4Y201 F228 W252 L262 W271 D272 D273Y201-I275 HydrophobicContact CE1-CD1 4.5Å; Y201-I275 HydrophobicContact CE1-CG1 3.92Å; Y201-I275 WeakPolarHBondContact OH-CG1 3.33Å; Y201-I275 PolarHBondContact OH-O 3.47Å; F228-I275 HydrophobicContact CD1-CG2 3.87Å; F228-I275 HydrophobicContact CE1-CG2 4.04Å; F228-I275 HydrophobicContact CE2-CD1 4.07Å; F228-I275 HydrophobicContact CG-CG2 4.17Å; F228-I275 HydrophobicContact CZ-CD1 4.12Å; F228-I275 HydrophobicContact CZ-CG2 4.46Å; W252-I275 HydrophobicContact CH2-CD1 4.15Å; L262-I275 HydrophobicContact CD1-CD1 3.98Å; L262-I275 HydrophobicContact CD1-CG1 4.3Å; W271-I275 HydrophobicContact CE3-CB 4.3Å; W271-I275 HydrophobicContact CE3-CD1 4.25Å; W271-I275 HydrophobicContact CE3-CG2 4.12Å; W271-I275 HydrophobicContact CZ3-CB 4.48Å; W271-I275 HydrophobicContact CZ3-CD1 3.92Å; W271-I275 HydrophobicContact CZ3-CG2 4Å; W271-I275 WeakPolarHBondContact O-CB 3.49Å; W271-I275 PolarHBondContact O-N 3.3Å; D272-I275 WeakPolarHBondContact O-CG2 3.49Å; D273-I275 VanDerWaalsContact C-N 3.33Å
276R90.4Very high92.9Very high5 Ų535.6 Ų35.62%0.01919%0.188CC..THydrogen-bonded Turntrans-81.3-17.1175.8-72.5174.1-171.4108.80.4113.6F228 G230 K231 D272 D273 W274 K393F228-R276 HydrophobicContact CB-CG 3.78Å; F228-R276 PolarHBondContact O-NE 3.3Å; F228-R276 VanDerWaalsContact O-NE 3.16Å; G230-R276 PolarHBondContact O-NH2 2.82Å; K231-R276 VanDerWaalsContact C-CZ 3.48Å; K231-R276 VanDerWaalsContact N-NH2 3.18Å; K231-R276 PolarHBondContact O-NH1 2.86Å; K231-R276 PolarHBondContact O-NH2 2.78Å; D272-R276 PolarHBondContact O-NH1 2.88Å; D273-R276 PolarHBondContact O-N 3.19Å; D273-R276 IonicContact OD1-NH1 3.86Å; W274-R276 PolarHBondContact O-N 3.1Å; R276-K393 HydrophobicContact CB-CB 4.33Å; R276-K393 HydrophobicContact CB-CG 3.54Å; R276-K393 HydrophobicContact CG-CG 4.43Å
277S92Very high93Very high24 Ų2434.6 Ų34.617%0.16818%0.184CC..SBendtrans-67149.1-175.6-65.80000111.2D273 W274 E279 Q280 R281D273-S277 PolarHBondContact O-OG 3.46Å; W274-S277 WeakPolarHBondContact O-CB 3.16Å; W274-S277 PolarHBondContact O-N 2.87Å; W274-S277 VanDerWaalsContact O-N 3.07Å; S277-E279 VanDerWaalsContact CB-OE2 3.31Å; S277-E279 WeakPolarHBondContact CB-OE2 3.47Å; S277-E279 PolarHBondContact O-N 3.35Å; S277-Q280 PolarHBondContact O-N 2.98Å; S277-Q280 VanDerWaalsContact O-N 3.13Å; S277-Q280 PolarHBondContact O-OE1 3.34Å; S277-R281 PolarHBondContact O-N 3.46Å
278P93.5Very high93.1Very high50 Ų5033.4 Ų33.433%0.32518%0.177SC..Hα-helixtrans-57.2-31.4-175.3-25.635.5000114.1Q280 L282 A394P278-Q280 PolarHBondContact O-N 3.41Å; P278-L282 PolarHBondContact O-N 3.45Å; P278-A394 HydrophobicContact CG-CB 3.73Å
279E94.6Very high93.3Very high97 Ų9728.2 Ų28.245%0.45315%0.145SC..Hα-helixtrans-68.6-20.1-178.4-56.278.1-173.200113.3S277S277-E279 VanDerWaalsContact CB-OE2 3.31Å; S277-E279 WeakPolarHBondContact CB-OE2 3.47Å; S277-E279 PolarHBondContact O-N 3.35Å
280Q94.9Very high93.6Very high16 Ų1627.9 Ų27.98%0.07514%0.141CC..Hα-helixtrans-102.3-45.6178.3-68.564.233.200109.7L262 W274 S277 P278 L282 R284L262-Q280 HydrophobicContact CD2-CB 4.23Å; L262-Q280 HydrophobicContact CD2-CG 4.39Å; W274-Q280 HydrophobicContact CD2-CG 3.81Å; W274-Q280 VanDerWaalsContact CE2-CG 3.46Å; W274-Q280 HydrophobicContact CE3-CG 4.1Å; W274-Q280 HydrophobicContact CH2-CG 3.76Å; W274-Q280 HydrophobicContact CZ2-CG 3.43Å; W274-Q280 VanDerWaalsContact CZ2-CG 3.43Å; W274-Q280 HydrophobicContact CZ3-CG 4.07Å; W274-Q280 VanDerWaalsContact NE1-NE2 3.15Å; W274-Q280 WeakPolarHBondContact O-CG 3.44Å; W274-Q280 PolarHBondContact O-OE1 2.99Å; S277-Q280 PolarHBondContact O-N 2.98Å; S277-Q280 VanDerWaalsContact O-N 3.13Å; S277-Q280 PolarHBondContact O-OE1 3.34Å; P278-Q280 PolarHBondContact O-N 3.41Å; Q280-L282 PolarHBondContact O-N 3.29Å; Q280-R284 PolarHBondContact O-NH2 3.5Å
281R93.4Very high94Very high15 Ų1526.4 Ų26.46%0.05713%0.134CC..Hα-helixtrans-68.5-34-177-177.61675281.64.7112.9Y201 D226 S277 N283 R284Y201-R281 HydrophobicContact CD1-CG 4.48Å; D226-R281 WeakPolarHBondContact O-CD 3.21Å; D226-R281 PolarHBondContact O-NE 2.92Å; S277-R281 PolarHBondContact O-N 3.46Å; R281-N283 PolarHBondContact O-N 3.44Å; R281-R284 VanDerWaalsContact CG-O 3.26Å; R281-R284 WeakPolarHBondContact CG-O 3.35Å; R281-R284 VanDerWaalsContact O-CB 3.27Å; R281-R284 WeakPolarHBondContact O-CB 3.43Å; R281-R284 WeakPolarHBondContact O-CG 3.35Å; R281-R284 PolarHBondContact O-N 2.95Å; R281-R284 PolarHBondContact O-NE 2.86Å
282L95.2Very high94.3Very high94 Ų9426.3 Ų26.349%0.49213%0.134SC..THydrogen-bonded Turntrans51.840.9179.2-56.7179.7000113.2P278 Q280 R284P278-L282 PolarHBondContact O-N 3.45Å; Q280-L282 PolarHBondContact O-N 3.29Å; L282-R284 PolarHBondContact O-N 3.46Å
283N93.9Very high94.9Very high135 Ų13526.1 Ų26.172%0.72213%0.133SC*.THydrogen-bonded Turntrans56.618.2-176.8-59.8-40.7000115.4R281R281-N283 PolarHBondContact O-N 3.44Å
284R96.4Very high95.3Very high36 Ų3625.2 Ų25.214%0.13613%0.128CC..  trans-77.3157.1169.4-62.9173.4-73.5-162.8-7.4110.6T199 Y201 E261 Q280 R281 L282T199-R284 CarbonylContact O-C 3.58Å; T199-R284 WeakPolarHBondContact O-CA 3.39Å; T199-R284 VanDerWaalsContact O-CB 3.3Å; T199-R284 WeakPolarHBondContact O-CB 3.01Å; Y201-R284 HydrophobicContact CD2-CB 4.43Å; Y201-R284 HydrophobicContact CG-CB 4.33Å; E261-R284 VanDerWaalsContact CD-NH2 3.33Å; E261-R284 IonicContact OE1-NH2 2.74Å; E261-R284 PolarHBondContact OE1-NH2 2.79Å; E261-R284 VanDerWaalsContact OE1-NH2 3.1Å; E261-R284 IonicContact OE2-CZ 3.71Å; E261-R284 VanDerWaalsContact OE2-CZ 3.24Å; E261-R284 IonicContact OE2-NH1 4Å; E261-R284 PolarHBondContact OE2-NH1 3.43Å; E261-R284 IonicContact OE2-NH2 2.78Å; E261-R284 PolarHBondContact OE2-NH2 2.82Å; Q280-R284 PolarHBondContact O-NH2 3.5Å; R281-R284 VanDerWaalsContact CG-O 3.26Å; R281-R284 WeakPolarHBondContact CG-O 3.35Å; R281-R284 VanDerWaalsContact O-CB 3.27Å; R281-R284 WeakPolarHBondContact O-CB 3.43Å; R281-R284 WeakPolarHBondContact O-CG 3.35Å; R281-R284 PolarHBondContact O-N 2.95Å; R281-R284 PolarHBondContact O-NE 2.86Å; L282-R284 PolarHBondContact O-N 3.46Å
285A96.8Very high95.3Very high3 Ų323.2 Ų23.23%0.02512%0.121CC..EExtended strand (participates in β ladder)trans-114.8157.9179.900000111T199 L200 Y201 R224 T225 Y401T199-A285 PolarHBondContact O-N 3.14Å; L200-A285 CarbonylContact C-O 3.51Å; L200-A285 VanDerWaalsContact CA-O 3.24Å; L200-A285 WeakPolarHBondContact CA-O 3.36Å; L200-A285 WeakPolarHBondContact CD2-O 3.37Å; Y201-A285 PolarHBondContact N-O 2.85Å; R224-A285 HydrophobicContact CB-CB 4.32Å; T225-A285 CarbonylContact O-C 3.42Å; T225-A285 WeakPolarHBondContact O-CA 3.39Å; T225-A285 VanDerWaalsContact O-CB 3.3Å; T225-A285 WeakPolarHBondContact O-CB 3.5Å; A285-Y401 HydrophobicContact CB-CD2 4.41Å; A285-Y401 HydrophobicContact CB-CE2 3.97Å
286C97.7Very high95Very high2 Ų223.5 Ų23.51%0.01412%0.122CC..EExtended strand (participates in β ladder)trans-101.9154.9166.5-66.50000111.4C202 R224 T225 P229C202-C286 HydrophobicContact CB-CB 4.24Å; C202-C286 WeakPolarHBondContact CB-SG 3.44Å; C202-C286 PolarHBondContact N-SG 3.45Å; C202-C286 VanDerWaalsContact N-SG 3.38Å; C202-C286 CarbonylContact O-C 3.53Å; C202-C286 WeakPolarHBondContact O-CA 3.49Å; C202-C286 WeakPolarHBondContact O-CB 3.34Å; C202-C286 WeakPolarHBondContact SG-CB 3.2Å; C202-C286 CovalentContact SG-SG 2.04Å; C202-C286 PolarHBondContact SG-SG 2.92Å; R224-C286 CarbonylContact C-O 3.55Å; R224-C286 WeakPolarHBondContact CA-O 3.42Å; T225-C286 HydrophobicContact CG2-CB 4.35Å; T225-C286 PolarHBondContact N-O 2.81Å; T225-C286 PolarHBondContact O-N 2.74Å; P229-C286 HydrophobicContact CG-CB 4.4Å
287I98.2Very high94.8Very high0 Ų023.8 Ų23.80%013%0.125CC..EExtended strand (participates in β ladder)trans-81.2139.8163.3-61.6174.5000108.3T190 L193 L200 C202 V203 S204 L222 Y223 L334T190-I287 HydrophobicContact CG2-CG2 4.47Å; L193-I287 HydrophobicContact CB-CD1 3.97Å; L193-I287 HydrophobicContact CD1-CD1 3.52Å; L193-I287 HydrophobicContact CG-CD1 4.42Å; L200-I287 HydrophobicContact CD1-CD1 3.74Å; L200-I287 HydrophobicContact CD1-CG1 4.13Å; L200-I287 HydrophobicContact CD2-CD1 4.33Å; L200-I287 HydrophobicContact CD2-CG1 3.78Å; C202-I287 PolarHBondContact O-N 3.28Å; V203-I287 HydrophobicContact CG1-CB 4.24Å; V203-I287 HydrophobicContact CG1-CG2 4.49Å; V203-I287 HydrophobicContact CG2-CB 4.36Å; V203-I287 HydrophobicContact CG2-CD1 4.28Å; S204-I287 PolarHBondContact N-O 2.65Å; L222-I287 HydrophobicContact CB-CG2 4.39Å; L222-I287 HydrophobicContact CD1-CG2 4.45Å; Y223-I287 CarbonylContact O-C 3.45Å; Y223-I287 VanDerWaalsContact O-CA 3.31Å; Y223-I287 WeakPolarHBondContact O-CA 3.42Å; I287-L334 HydrophobicContact CD1-CB 4.49Å; I287-L334 HydrophobicContact CD1-CD1 4.19Å; I287-L334 HydrophobicContact CG2-CD1 4.25Å
288R97.2Very high94.4Very high3 Ų326.2 Ų26.21%0.01114%0.142CC..EExtended strand (participates in β ladder)trans-137.9153.9169.964.5166.3-178.985.2-0.8110.5L222 Y223 T225 P229 T399L222-R288 WeakPolarHBondContact CA-O 3.25Å; Y223-R288 PolarHBondContact N-O 3.24Å; Y223-R288 PolarHBondContact O-N 2.71Å; T225-R288 HydrophobicContact CG2-CB 4.26Å; T225-R288 HydrophobicContact CG2-CG 3.85Å; P229-R288 HydrophobicContact CG-CB 4.37Å; R288-T399 PolarHBondContact NE-O 2.95Å; R288-T399 PolarHBondContact NH2-O 3.5Å
289P97.8Very high93.8Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-83.4166.3172.735.2-38.2000113.3S204 N207 L222 I291 R293S204-P289 WeakPolarHBondContact O-CD 3.19Å; N207-P289 WeakPolarHBondContact CB-O 3.35Å; L222-P289 HydrophobicContact CD2-CB 3.76Å; P289-I291 WeakPolarHBondContact CB-O 3.38Å; P289-I291 WeakPolarHBondContact CG-O 3.01Å; P289-R293 VanDerWaalsContact CB-NH1 3.25Å
290E97.6Very high92.9Very high2 Ų223.4 Ų23.41%0.00912%0.122CC..SBendtrans-69.4-52.3162.9-177.768.6152.900110.4N207 I215 E216 L221 Y223 R413N207-E290 PolarHBondContact ND2-O 3.14Å; I215-E290 HydrophobicContact CB-CG 4.22Å; E216-E290 HydrophobicContact CB-CG 4.45Å; E216-E290 PolarHBondContact N-OE1 2.9Å; L221-E290 HydrophobicContact CB-CB 3.93Å; L221-E290 HydrophobicContact CD2-CB 4.44Å; L221-E290 HydrophobicContact CD2-CG 4.46Å; L221-E290 HydrophobicContact CG-CB 4.3Å; L221-E290 WeakPolarHBondContact O-CB 3.38Å; L221-E290 PolarHBondContact O-N 2.59Å; Y223-E290 HydrophobicContact CE2-CB 3.88Å; Y223-E290 HydrophobicContact CE2-CG 4.44Å; Y223-E290 WeakPolarHBondContact CE2-OE2 3.25Å; E290-R413 IonicContact OE1-CZ 3.25Å; E290-R413 IonicContact OE1-NH1 3.71Å; E290-R413 PolarHBondContact OE1-NH1 2.77Å; E290-R413 IonicContact OE1-NH2 3.03Å; E290-R413 PolarHBondContact OE1-NH2 3.1Å; E290-R413 IonicContact OE2-NH1 2.64Å
291I97.7Very high91.9Very high5 Ų527.4 Ų27.43%0.02614%0.139CC..SBendtrans-103.2124.4174.7-46.5-176.9000109I215 P219 P289 R293 V318 N320I215-I291 HydrophobicContact CD1-CG1 4.37Å; P219-I291 HydrophobicContact CB-CD1 4.15Å; P289-I291 WeakPolarHBondContact CB-O 3.38Å; P289-I291 WeakPolarHBondContact CG-O 3.01Å; I291-R293 WeakPolarHBondContact O-CD 3.36Å; I291-R293 PolarHBondContact O-NH1 3.07Å; I291-V318 HydrophobicContact CG2-CB 4.46Å; I291-V318 HydrophobicContact CG2-CG1 3.98Å; I291-N320 HydrophobicContact CB-CB 4.26Å; I291-N320 HydrophobicContact CG2-CB 3.76Å
292S97Very high90.7Very high0 Ų032 Ų320%017%0.168CC..BIsolated β-bridgetrans-62.2141.9-173.5-53.70000112.5A205 N207 T294 I317 V318 N320A205-S292 CarbonylContact O-C 3.54Å; A205-S292 WeakPolarHBondContact O-CA 3.31Å; N207-S292 PolarHBondContact N-OG 3.33Å; S292-T294 VanDerWaalsContact C-N 3.32Å; S292-T294 WeakPolarHBondContact CB-O 3.29Å; S292-I317 WeakPolarHBondContact OG-CG2 3.46Å; S292-V318 WeakPolarHBondContact CB-O 3.31Å; S292-V318 PolarHBondContact N-O 2.77Å; S292-N320 WeakPolarHBondContact O-CB 3.46Å; S292-N320 PolarHBondContact O-N 3.5Å
293R97.4Very high89.5Confident0 Ų029.5 Ų29.50%017%0.165CC..SBendtrans-88.8-8.7171.6-88.262.3-166-170.8-1.9111.9A180 D182 F183 Y186 A205 P219 P289 I291 N320A180-R293 HydrophobicContact CB-CB 4.22Å; A180-R293 HydrophobicContact CB-CG 4.1Å; A180-R293 WeakPolarHBondContact CB-O 3.46Å; A180-R293 PolarHBondContact N-O 3Å; D182-R293 IonicContact OD1-NE 3.42Å; D182-R293 PolarHBondContact OD1-NE 2.84Å; D182-R293 IonicContact OD2-CZ 2.67Å; D182-R293 IonicContact OD2-NE 3.71Å; D182-R293 PolarHBondContact OD2-NE 3.11Å; D182-R293 VanDerWaalsContact OD2-NE 3.13Å; D182-R293 IonicContact OD2-NH2 3.82Å; D182-R293 PolarHBondContact OD2-NH2 3.46Å; F183-R293 HydrophobicContact CD2-CB 4.44Å; Y186-R293 HydrophobicContact CD1-CG 4.33Å; Y186-R293 HydrophobicContact CG-CG 4.12Å; A205-R293 HydrophobicContact CB-CB 3.74Å; A205-R293 PolarHBondContact O-N 3.47Å; P219-R293 VanDerWaalsContact O-CZ 3.25Å; P219-R293 PolarHBondContact O-NH1 2.79Å; P219-R293 PolarHBondContact O-NH2 3.24Å; P289-R293 VanDerWaalsContact CB-NH1 3.25Å; I291-R293 WeakPolarHBondContact O-CD 3.36Å; I291-R293 PolarHBondContact O-NH1 3.07Å; R293-N320 PolarHBondContact NH2-ND2 3.1Å
294T95.5Very high87.9Confident0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-127.614917049.60000110.9L177 M178 L179 F183 A205 L250 S292L177-T294 HydrophobicContact CD1-CG2 4.31Å; M178-T294 CarbonylContact O-C 3.52Å; M178-T294 WeakPolarHBondContact O-CA 3.48Å; L179-T294 HydrophobicContact CD2-CG2 3.89Å; F183-T294 HydrophobicContact CD2-CG2 4.22Å; F183-T294 HydrophobicContact CE2-CG2 3.74Å; A205-T294 HydrophobicContact CB-CG2 3.68Å; A205-T294 PolarHBondContact O-N 3.5Å; A205-T294 PolarHBondContact O-OG1 3.39Å; L250-T294 VanDerWaalsContact O-CB 3.27Å; L250-T294 WeakPolarHBondContact O-CB 3.39Å; L250-T294 WeakPolarHBondContact O-CG2 3.49Å; L250-T294 PolarHBondContact O-OG1 3.4Å; S292-T294 VanDerWaalsContact C-N 3.32Å; S292-T294 WeakPolarHBondContact CB-O 3.29Å
295A91.8Very high86.3Confident1 Ų125.1 Ų25.11%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-140.8155.9172.700000110M178 S297 L319M178-A295 HydrophobicContact CB-CB 4.4Å; M178-A295 HydrophobicContact CE-CB 3.6Å; M178-A295 PolarHBondContact N-O 3.28Å; M178-A295 PolarHBondContact O-N 3.06Å; A295-S297 PolarHBondContact O-N 3.31Å; A295-L319 HydrophobicContact CB-CB 3.7Å; A295-L319 HydrophobicContact CB-CD1 3.89Å; A295-L319 HydrophobicContact CB-CG 4.27Å
296M86.8Confident84.7Confident6 Ų635.4 Ų35.43%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-78.2121.2178.9-170.259.975.300110.2D176 I247 L250 Y310 L314D176-M296 HydrophobicContact CB-SD 4.24Å; I247-M296 HydrophobicContact CD1-CE 4.5Å; I247-M296 HydrophobicContact CG2-CE 4.28Å; L250-M296 HydrophobicContact CD2-CE 3.39Å; M296-Y310 HydrophobicContact CB-CE2 4.41Å; M296-Y310 HydrophobicContact CG-CD2 3.74Å; M296-Y310 HydrophobicContact CG-CE2 3.88Å; M296-L314 HydrophobicContact CB-CB 3.99Å; M296-L314 HydrophobicContact CE-CD1 4.07Å; M296-L314 HydrophobicContact CG-CB 4.27Å
297S85.6Confident82.7Confident10 Ų1035.7 Ų35.77%0.0719%0.189CC..  trans-71.1167.8172.771.30000111.7D176 A295 Y299 G300 Y310D176-S297 WeakPolarHBondContact O-CB 3.5Å; D176-S297 PolarHBondContact O-N 3.19Å; D176-S297 PolarHBondContact O-OG 3.21Å; A295-S297 PolarHBondContact O-N 3.31Å; S297-Y299 PolarHBondContact O-N 3.28Å; S297-Y299 VanDerWaalsContact O-N 3.17Å; S297-Y299 WeakPolarHBondContact OG-CD2 3.5Å; S297-Y299 PolarHBondContact OG-N 3.1Å; S297-G300 PolarHBondContact O-N 3.47Å; S297-Y310 VanDerWaalsContact O-CE2 3.29Å; S297-Y310 WeakPolarHBondContact O-CE2 3.37Å
298S82.7Confident80.9Confident76 Ų7639.3 Ų39.353%0.53121%0.208SC..G310 helixtrans-59.4-23.8173.155.40000113.3G300 K301 Y310S298-G300 VanDerWaalsContact C-N 3.26Å; S298-G300 PolarHBondContact O-N 2.7Å; S298-K301 WeakPolarHBondContact O-CB 3.32Å; S298-K301 PolarHBondContact O-N 3.25Å; S298-Y310 WeakPolarHBondContact CA-OH 3.44Å
299Y80.9Confident79.2Confident86 Ų8640.1 Ų40.134%0.33721%0.212SC..G310 helixtrans-69.2-22.5176.3-54.9-71.4000113.3R79 T81 A82 V85 S297 K301 V302R79-Y299 PolarHBondContact NH1-O 3.16Å; T81-Y299 HydrophobicContact CG2-CE1 3.93Å; T81-Y299 WeakPolarHBondContact CG2-OH 3.36Å; A82-Y299 HydrophobicContact CB-CD1 4.14Å; A82-Y299 HydrophobicContact CB-CD2 3.98Å; A82-Y299 HydrophobicContact CB-CG 3.63Å; V85-Y299 HydrophobicContact CB-CE2 4.46Å; V85-Y299 HydrophobicContact CG2-CE2 4.25Å; S297-Y299 PolarHBondContact O-N 3.28Å; S297-Y299 VanDerWaalsContact O-N 3.17Å; S297-Y299 WeakPolarHBondContact OG-CD2 3.5Å; S297-Y299 PolarHBondContact OG-N 3.1Å; Y299-K301 PolarHBondContact O-N 2.96Å; Y299-V302 PolarHBondContact O-N 3.16Å
300G75.8Confident77.4Confident2 Ų241.8 Ų41.82%0.02122%0.218CC..G310 helixtrans-71.5-8.1175.700000114.5D176 S297 S298 V302D176-G300 WeakPolarHBondContact OD2-CA 3.25Å; S297-G300 PolarHBondContact O-N 3.47Å; S298-G300 VanDerWaalsContact C-N 3.26Å; S298-G300 PolarHBondContact O-N 2.7Å; G300-V302 VanDerWaalsContact C-N 3.27Å; G300-V302 PolarHBondContact O-N 3.17Å
301K74.6Confident76.1Confident100 Ų10045.3 Ų45.344%0.43524%0.235SC..G310 helixtrans-64.8-33.4173.9-175.2170.5177.3156.70112S298 Y299 G307 Y310 E311S298-K301 WeakPolarHBondContact O-CB 3.32Å; S298-K301 PolarHBondContact O-N 3.25Å; Y299-K301 PolarHBondContact O-N 2.96Å; K301-G307 WeakPolarHBondContact O-CA 3.41Å; K301-G307 PolarHBondContact O-N 3Å; K301-Y310 HydrophobicContact CB-CD1 3.97Å; K301-Y310 HydrophobicContact CB-CD2 4.49Å; K301-Y310 HydrophobicContact CB-CE1 4.27Å; K301-Y310 HydrophobicContact CB-CG 4.09Å; K301-Y310 HydrophobicContact CD-CD1 4.17Å; K301-Y310 HydrophobicContact CD-CE1 4.35Å; K301-Y310 HydrophobicContact CG-CD1 4.06Å; K301-Y310 HydrophobicContact CG-CG 4.45Å; K301-E311 WeakPolarHBondContact CE-OE1 2.96Å; K301-E311 IonicContact NZ-OE1 3.48Å; K301-E311 PolarHBondContact NZ-OE1 2.91Å
302V68.4Low74.8Confident110 Ų11049.9 Ų49.967%0.66726%0.257SS*.SBendtrans-102.8121.2-179.4-177.60000109.3R79 Y299 G300R79-V302 PolarHBondContact NH1-O 3.03Å; R79-V302 VanDerWaalsContact NH1-O 3.16Å; Y299-V302 PolarHBondContact O-N 3.16Å; G300-V302 VanDerWaalsContact C-N 3.27Å; G300-V302 PolarHBondContact O-N 3.17Å
303G68.8Low73.6Confident42 Ų4251.2 Ų51.243%0.43326%0.264SS..SBendtrans173.8-170-179.300000112.5S305 R306G303-S305 PolarHBondContact O-N 2.93Å; G303-R306 PolarHBondContact O-N 3.03Å
304V62.1Low72.6Confident67 Ų6751.3 Ų51.341%0.40626%0.264SS..THydrogen-bonded Turntrans-56.7-27-177.5-64.80000113.5Y147 I150Y147-V304 HydrophobicContact CD1-CG2 4.39Å; Y147-V304 HydrophobicContact CE1-CB 4.26Å; Y147-V304 HydrophobicContact CE1-CG2 3.74Å; I150-V304 HydrophobicContact CD1-CB 4.44Å; I150-V304 HydrophobicContact CD1-CG1 3.8Å; I150-V304 HydrophobicContact CD1-CG2 3.88Å
305S61.7Low71.9Confident12 Ų1256.6 Ų56.68%0.08429%0.287CS..THydrogen-bonded Turntrans-89.30.1-179.289.90000114.9A246 I247 G303 G307A246-S305 WeakPolarHBondContact O-CB 3.43Å; I247-S305 WeakPolarHBondContact CD1-OG 3.39Å; G303-S305 PolarHBondContact O-N 2.93Å; S305-G307 VanDerWaalsContact C-N 3.3Å; S305-G307 PolarHBondContact O-N 3.43Å
306R63.1Low71.6Confident220 Ų22058.9 Ų58.983%0.8330%0.303SS*.THydrogen-bonded Turntrans51.138.9178.6-54.8-179179.7-171.9-3115G303 L308G303-R306 PolarHBondContact O-N 3.03Å; R306-L308 PolarHBondContact O-N 2.82Å
307G57.1Low71.8Confident7 Ų759 Ų597%0.07230%0.304CS..THydrogen-bonded Turntrans70.8-9.4171.100000118.1K301 S305 F309 Y310 E311K301-G307 WeakPolarHBondContact O-CA 3.41Å; K301-G307 PolarHBondContact O-N 3Å; S305-G307 VanDerWaalsContact C-N 3.3Å; S305-G307 PolarHBondContact O-N 3.43Å; G307-F309 PolarHBondContact O-N 2.82Å; G307-Y310 WeakPolarHBondContact O-CB 3.45Å; G307-Y310 PolarHBondContact O-N 2.84Å; G307-E311 PolarHBondContact O-N 2.99Å
308L59.3Low72.2Confident77 Ų7760.3 Ų60.340%0.40331%0.311SS..Hα-helixtrans-54.5-32.5-170.9-17661.7000114.7K245 R306K245-L308 HydrophobicContact CD-CD2 4.34Å; K245-L308 HydrophobicContact CG-CD2 4.14Å; R306-L308 PolarHBondContact O-N 2.82Å
309F60.6Low72.8Confident20 Ų2059 Ų599%0.08830%0.298CS..Hα-helixtrans-97.1-20178.1-72.6-104.9000114.7K231 K245 G307 E311 M312 H313 L314K231-F309 HydrophobicContact CD-CB 4.38Å; K231-F309 HydrophobicContact CD-CD1 4.35Å; K231-F309 HydrophobicContact CD-CD2 4.45Å; K231-F309 HydrophobicContact CD-CE1 4.47Å; K231-F309 HydrophobicContact CD-CE2 4.43Å; K231-F309 HydrophobicContact CD-CG 4.25Å; K231-F309 HydrophobicContact CD-CZ 4.41Å; K231-F309 VanDerWaalsContact CE-CB 3.47Å; K231-F309 VanDerWaalsContact CE-CE1 3.43Å; K231-F309 HydrophobicContact CG-CE1 4.38Å; K231-F309 HydrophobicContact CG-CZ 4.48Å; K231-F309 VanDerWaalsContact NZ-CB 3.34Å; K245-F309 HydrophobicContact CB-CE2 3.25Å; K245-F309 HydrophobicContact CB-CZ 3.43Å; K245-F309 VanDerWaalsContact CB-CZ 3.43Å; K245-F309 HydrophobicContact CD-CD2 4.41Å; K245-F309 HydrophobicContact CD-CE1 4.23Å; K245-F309 HydrophobicContact CD-CE2 3.48Å; K245-F309 VanDerWaalsContact CD-CE2 3.48Å; K245-F309 HydrophobicContact CD-CZ 3.4Å; K245-F309 HydrophobicContact CG-CD2 4.15Å; K245-F309 HydrophobicContact CG-CE2 3.16Å; K245-F309 HydrophobicContact CG-CZ 3.56Å; K245-F309 WeakPolarHBondContact O-CE2 3.39Å; K245-F309 WeakPolarHBondContact O-CZ 3.43Å; G307-F309 PolarHBondContact O-N 2.82Å; F309-E311 PolarHBondContact O-N 3.39Å; F309-M312 PolarHBondContact O-N 2.94Å; F309-H313 PolarHBondContact O-N 2.73Å; F309-L314 HydrophobicContact CB-CD1 4.14Å; F309-L314 HydrophobicContact CB-CG 4.29Å; F309-L314 PolarHBondContact O-N 2.88Å
310Y60.6Low73.6Confident34 Ų3455.2 Ų55.213%0.13328%0.283CS..Hα-helixtrans-54.9-47.7173.7-179.7-95.1000108.9M296 S297 S298 K301 G307 L314 K315M296-Y310 HydrophobicContact CB-CE2 4.41Å; M296-Y310 HydrophobicContact CG-CD2 3.74Å; M296-Y310 HydrophobicContact CG-CE2 3.88Å; S297-Y310 VanDerWaalsContact O-CE2 3.29Å; S297-Y310 WeakPolarHBondContact O-CE2 3.37Å; S298-Y310 WeakPolarHBondContact CA-OH 3.44Å; K301-Y310 HydrophobicContact CB-CD1 3.97Å; K301-Y310 HydrophobicContact CB-CD2 4.49Å; K301-Y310 HydrophobicContact CB-CE1 4.27Å; K301-Y310 HydrophobicContact CB-CG 4.09Å; K301-Y310 HydrophobicContact CD-CD1 4.17Å; K301-Y310 HydrophobicContact CD-CE1 4.35Å; K301-Y310 HydrophobicContact CG-CD1 4.06Å; K301-Y310 HydrophobicContact CG-CG 4.45Å; G307-Y310 WeakPolarHBondContact O-CB 3.45Å; G307-Y310 PolarHBondContact O-N 2.84Å; Y310-L314 PolarHBondContact O-N 3.38Å; Y310-K315 HydrophobicContact CD1-CB 4.26Å; Y310-K315 HydrophobicContact CD2-CB 4.48Å; Y310-K315 HydrophobicContact CE1-CB 3.86Å; Y310-K315 HydrophobicContact CE1-CD 4.4Å; Y310-K315 HydrophobicContact CE2-CB 4.09Å; Y310-K315 VanDerWaalsContact O-CB 3.29Å; Y310-K315 WeakPolarHBondContact O-CB 3.47Å; Y310-K315 VanDerWaalsContact O-CG 3.25Å; Y310-K315 WeakPolarHBondContact O-CG 3.48Å; Y310-K315 PolarHBondContact O-N 3.03Å
311E71.3Confident74.6Confident77 Ų7759.3 Ų59.336%0.3631%0.312SS..Hα-helixtrans-70.7-36.4-178.9-61.7-62167.200114.2K301 G307 F309 K315K301-E311 WeakPolarHBondContact CE-OE1 2.96Å; K301-E311 IonicContact NZ-OE1 3.48Å; K301-E311 PolarHBondContact NZ-OE1 2.91Å; G307-E311 PolarHBondContact O-N 2.99Å; F309-E311 PolarHBondContact O-N 3.39Å; E311-K315 WeakPolarHBondContact O-CE 3.39Å; E311-K315 IonicContact OE2-NZ 3.86Å; E311-K315 PolarHBondContact OE2-NZ 2.97Å
312M68.9Low75.6Confident101 Ų10159.8 Ų59.850%0.49831%0.311SS..Hα-helixtrans-81.7-38.6-176.4-70.5-177.565.500113.8F309F309-M312 PolarHBondContact O-N 2.94Å
313H72.4Confident77.1Confident28 Ų2860.2 Ų60.213%0.1330%0.304CS..THydrogen-bonded Turntrans-136.6-47.5-168.4-60.8-88.9000113.8K211 F309 K315 S316 M389K211-H313 PolarHBondContact NZ-ND1 3.42Å; F309-H313 PolarHBondContact O-N 2.73Å; H313-K315 PolarHBondContact O-N 3.06Å; H313-S316 PolarHBondContact O-N 2.83Å; H313-S316 PolarHBondContact O-OG 3.45Å; H313-M389 HydrophobicContact CB-CE 3.59Å
314L76.7Confident78.5Confident2 Ų258.4 Ų58.41%0.0128%0.284CS..G310 helixtrans-72.9-35.1-163.5-49.8172.6000112.8W206 I247 L250 M296 F309 Y310 S316 I317W206-L314 HydrophobicContact CH2-CD2 4.12Å; W206-L314 HydrophobicContact CZ2-CD2 3.8Å; I247-L314 HydrophobicContact CD1-CD1 3.71Å; L250-L314 HydrophobicContact CD1-CD2 4.45Å; M296-L314 HydrophobicContact CB-CB 3.99Å; M296-L314 HydrophobicContact CE-CD1 4.07Å; M296-L314 HydrophobicContact CG-CB 4.27Å; F309-L314 HydrophobicContact CB-CD1 4.14Å; F309-L314 HydrophobicContact CB-CG 4.29Å; F309-L314 PolarHBondContact O-N 2.88Å; Y310-L314 PolarHBondContact O-N 3.38Å; L314-S316 PolarHBondContact O-N 2.84Å; L314-I317 PolarHBondContact O-N 3.31Å
315K81Confident80.2Confident111 Ų11157.7 Ų57.748%0.48328%0.281SS..G310 helixtrans-65.9-20178.975.8179.8-179.4-173.30113.6Y310 E311 H313Y310-K315 HydrophobicContact CD1-CB 4.26Å; Y310-K315 HydrophobicContact CD2-CB 4.48Å; Y310-K315 HydrophobicContact CE1-CB 3.86Å; Y310-K315 HydrophobicContact CE1-CD 4.4Å; Y310-K315 HydrophobicContact CE2-CB 4.09Å; Y310-K315 VanDerWaalsContact O-CB 3.29Å; Y310-K315 WeakPolarHBondContact O-CB 3.47Å; Y310-K315 VanDerWaalsContact O-CG 3.25Å; Y310-K315 WeakPolarHBondContact O-CG 3.48Å; Y310-K315 PolarHBondContact O-N 3.03Å; E311-K315 WeakPolarHBondContact O-CE 3.39Å; E311-K315 IonicContact OE2-NZ 3.86Å; E311-K315 PolarHBondContact OE2-NZ 2.97Å; H313-K315 PolarHBondContact O-N 3.06Å
316S85.7Confident81.9Confident48 Ų4857.1 Ų57.134%0.33628%0.277SS..G310 helixtrans-97.51.5-177.257.20000113.5K211 H313 L314K211-S316 WeakPolarHBondContact CA-O 3.44Å; H313-S316 PolarHBondContact O-N 2.83Å; H313-S316 PolarHBondContact O-OG 3.45Å; L314-S316 PolarHBondContact O-N 2.84Å
317I90.2Very high83.4Confident10 Ų1050.1 Ų50.15%0.05126%0.259CS..BIsolated β-bridgetrans-75.5126.4174.7-58.4-65000109.3W206 D208 G210 K211 S292 L314W206-I317 HydrophobicContact CD2-CG2 4.48Å; W206-I317 HydrophobicContact CE3-CG2 4.18Å; W206-I317 HydrophobicContact CH2-CB 3.63Å; W206-I317 HydrophobicContact CH2-CG1 3.54Å; W206-I317 HydrophobicContact CH2-CG2 3.72Å; W206-I317 HydrophobicContact CZ2-CB 4.06Å; W206-I317 HydrophobicContact CZ2-CD1 4.29Å; W206-I317 HydrophobicContact CZ2-CG1 3.5Å; W206-I317 HydrophobicContact CZ2-CG2 4.04Å; W206-I317 HydrophobicContact CZ3-CB 4.14Å; W206-I317 HydrophobicContact CZ3-CG1 4.48Å; W206-I317 HydrophobicContact CZ3-CG2 3.81Å; D208-I317 WeakPolarHBondContact O-CD1 3.18Å; G210-I317 WeakPolarHBondContact O-CA 3.45Å; K211-I317 HydrophobicContact CG-CD1 3.67Å; S292-I317 WeakPolarHBondContact OG-CG2 3.46Å; L314-I317 PolarHBondContact O-N 3.31Å
318V93.4Very high85.3Confident36 Ų3654.8 Ų54.822%0.21829%0.286CS..PPolyproline II helixtrans-80.3127.1-174.8179.60000109.6G210 L212 I215 I291 S292G210-V318 PolarHBondContact O-N 2.83Å; L212-V318 HydrophobicContact CD2-CG2 3.68Å; L212-V318 HydrophobicContact CG-CG2 3.66Å; I215-V318 HydrophobicContact CD1-CB 3.89Å; I215-V318 HydrophobicContact CD1-CG1 4.4Å; I215-V318 HydrophobicContact CD1-CG2 3.92Å; I291-V318 HydrophobicContact CG2-CB 4.46Å; I291-V318 HydrophobicContact CG2-CG1 3.98Å; S292-V318 WeakPolarHBondContact CB-O 3.31Å; S292-V318 PolarHBondContact N-O 2.77Å
319L96Very high87.1Confident49 Ų4953.9 Ų53.926%0.25728%0.281SS..BIsolated β-bridgetrans-83.9131.3167.4-17165000109.6M178 A180 A295 S321M178-L319 HydrophobicContact CB-CD2 3.86Å; A180-L319 HydrophobicContact CB-CD1 4.01Å; A180-L319 HydrophobicContact CB-CG 4.37Å; A295-L319 HydrophobicContact CB-CB 3.7Å; A295-L319 HydrophobicContact CB-CD1 3.89Å; A295-L319 HydrophobicContact CB-CG 4.27Å; L319-S321 PolarHBondContact O-N 2.81Å
320N97.6Very high88.8Confident6 Ų658.7 Ų58.73%0.03231%0.308CS..PPolyproline II helixtrans-63.4130172.6179.743.3000111.4A180 D182 P219 I291 S292 R293 R322A180-N320 HydrophobicContact CB-CB 4.06Å; A180-N320 VanDerWaalsContact CB-O 3.29Å; A180-N320 WeakPolarHBondContact CB-O 3.32Å; D182-N320 PolarHBondContact OD1-ND2 2.95Å; D182-N320 VanDerWaalsContact OD1-ND2 3.11Å; D182-N320 PolarHBondContact OD2-ND2 2.82Å; D182-N320 VanDerWaalsContact OD2-ND2 3.09Å; P219-N320 WeakPolarHBondContact CB-OD1 3.12Å; I291-N320 HydrophobicContact CB-CB 4.26Å; I291-N320 HydrophobicContact CG2-CB 3.76Å; S292-N320 WeakPolarHBondContact O-CB 3.46Å; S292-N320 PolarHBondContact O-N 3.5Å; R293-N320 PolarHBondContact NH2-ND2 3.1Å; N320-R322 PolarHBondContact ND2-O 3.01Å; N320-R322 PolarHBondContact OD1-N 2.76Å; N320-R322 PolarHBondContact OD1-O 3.2Å
321S96.1Very high90.6Very high89 Ų8957.6 Ų57.662%0.62231%0.305SS*.  trans-104.7-16.5176.157.50000113.5N181 L319N181-S321 PolarHBondContact ND2-O 3.47Å; L319-S321 PolarHBondContact O-N 2.81Å
322R97.3Very high91.8Very high109 Ų10955 Ų5541%0.41130%0.295SS..SBendtrans-95.3124-176-66.6-170.6-74.8170.5-9.5110.9D217 P219 N320 V324D217-R322 PolarHBondContact O-NH2 2.99Å; D217-R322 IonicContact OD1-CZ 3.35Å; D217-R322 IonicContact OD1-NH2 3.72Å; D217-R322 PolarHBondContact OD1-NH2 2.87Å; D217-R322 IonicContact OD2-NH2 3.62Å; D217-R322 PolarHBondContact OD2-NH2 3.34Å; P219-R322 HydrophobicContact CG-CB 4.34Å; N320-R322 PolarHBondContact ND2-O 3.01Å; N320-R322 PolarHBondContact OD1-N 2.76Å; N320-R322 PolarHBondContact OD1-O 3.2Å; R322-V324 PolarHBondContact O-N 2.71Å
323F98.2Very high93.2Very high119 Ų11952.6 Ų52.652%0.52228%0.28SS..  trans-66.5127.7176.6-172.8-88.6000110.5N181 D182 E185 P325N181-F323 HydrophobicContact CB-CD2 4.39Å; D182-F323 HydrophobicContact CB-CD2 3.85Å; D182-F323 HydrophobicContact CB-CE2 4.11Å; D182-F323 HydrophobicContact CB-CG 4.33Å; E185-F323 HydrophobicContact CB-CE2 4.19Å; E185-F323 HydrophobicContact CB-CZ 3.95Å; E185-F323 HydrophobicContact CG-CE1 4.33Å; E185-F323 HydrophobicContact CG-CZ 3.85Å; F323-P325 HydrophobicContact CE1-CB 4.13Å
324V98.4Very high94.4Very high4 Ų451.3 Ų51.32%0.02427%0.274CS..  trans-114.4120.9173.8177.80000108.9E185 P219 E220 R322 F326 L329E185-V324 WeakPolarHBondContact CG-O 3.43Å; P219-V324 HydrophobicContact CB-CG2 3.66Å; P219-V324 HydrophobicContact CG-CG2 3.71Å; E220-V324 HydrophobicContact CB-CG1 4.45Å; E220-V324 HydrophobicContact CG-CG1 3.82Å; E220-V324 HydrophobicContact CG-CG2 4.18Å; R322-V324 PolarHBondContact O-N 2.71Å; V324-F326 HydrophobicContact CB-CD2 4Å; V324-F326 HydrophobicContact CB-CE2 3.77Å; V324-F326 HydrophobicContact CB-CZ 4.09Å; V324-F326 HydrophobicContact CG1-CD1 3.93Å; V324-F326 HydrophobicContact CG1-CD2 3.93Å; V324-F326 HydrophobicContact CG1-CE1 3.85Å; V324-F326 HydrophobicContact CG1-CE2 3.88Å; V324-F326 HydrophobicContact CG1-CG 3.97Å; V324-F326 HydrophobicContact CG1-CZ 3.84Å; V324-F326 WeakPolarHBondContact O-CD2 3.24Å; V324-F326 PolarHBondContact O-N 2.9Å; V324-L329 HydrophobicContact CG1-CD1 3.85Å
325P97.7Very high95.4Very high52 Ų5253.4 Ų53.434%0.33829%0.286SS..  trans-78.664.8179.934.6-36.7000111.5E185 F323 T327 T328E185-P325 WeakPolarHBondContact OE1-CA 3.38Å; F323-P325 HydrophobicContact CE1-CB 4.13Å; P325-T327 PolarHBondContact O-N 3.42Å; P325-T327 VanDerWaalsContact O-N 3.11Å; P325-T328 HydrophobicContact CB-CG2 4.11Å; P325-T328 WeakPolarHBondContact O-CB 3.25Å; P325-T328 PolarHBondContact O-N 2.96Å; P325-T328 PolarHBondContact O-OG1 3.02Å
326F98Very high96.2Very high1 Ų151.3 Ų51.30%0.00428%0.276CS..G310 helixtrans-53.6-32.2-173.3-78.1-70.7000115.2D182 E185 Y186 A189 L222 V324 T328 L329 L331D182-F326 WeakPolarHBondContact OD2-CE2 3.35Å; E185-F326 HydrophobicContact CG-CB 4.3Å; E185-F326 PolarHBondContact OE1-N 2.77Å; Y186-F326 HydrophobicContact CD2-CD2 4.1Å; Y186-F326 AromaticContact CD2-CE2 3.76Å; Y186-F326 HydrophobicContact CD2-CE2 3.76Å; Y186-F326 HydrophobicContact CD2-CZ 4.04Å; Y186-F326 HydrophobicContact CG-CE2 4.36Å; A189-F326 VanDerWaalsContact CB-C 3.49Å; A189-F326 HydrophobicContact CB-CB 3.44Å; A189-F326 VanDerWaalsContact CB-CB 3.44Å; L222-F326 HydrophobicContact CD1-CD1 4.2Å; L222-F326 HydrophobicContact CD1-CE1 3.78Å; L222-F326 HydrophobicContact CD1-CZ 4.46Å; L222-F326 HydrophobicContact CD2-CE1 3.93Å; L222-F326 HydrophobicContact CD2-CZ 3.92Å; L222-F326 HydrophobicContact CG-CE1 3.92Å; L222-F326 HydrophobicContact CG-CZ 4.42Å; V324-F326 HydrophobicContact CB-CD2 4Å; V324-F326 HydrophobicContact CB-CE2 3.77Å; V324-F326 HydrophobicContact CB-CZ 4.09Å; V324-F326 HydrophobicContact CG1-CD1 3.93Å; V324-F326 HydrophobicContact CG1-CD2 3.93Å; V324-F326 HydrophobicContact CG1-CE1 3.85Å; V324-F326 HydrophobicContact CG1-CE2 3.88Å; V324-F326 HydrophobicContact CG1-CG 3.97Å; V324-F326 HydrophobicContact CG1-CZ 3.84Å; V324-F326 WeakPolarHBondContact O-CD2 3.24Å; V324-F326 PolarHBondContact O-N 2.9Å; F326-T328 PolarHBondContact O-N 3.24Å; F326-L329 HydrophobicContact CD1-CD1 4.05Å; F326-L329 PolarHBondContact O-N 3.24Å; F326-L329 VanDerWaalsContact O-N 3.07Å; F326-L331 HydrophobicContact CB-CD1 4.47Å; F326-L331 HydrophobicContact CD1-CD1 4.3Å; F326-L331 HydrophobicContact CD1-CD2 4.22Å
327T95.3Very high96.7Very high73 Ų7354.8 Ų54.845%0.44829%0.291SS..G310 helixtrans-66.1-19.5178.959.20000112.6E185 A189 P325E185-T327 VanDerWaalsContact OE1-CB 3.24Å; E185-T327 WeakPolarHBondContact OE1-CB 3.35Å; E185-T327 WeakPolarHBondContact OE1-CG2 3.49Å; E185-T327 PolarHBondContact OE1-N 3.25Å; E185-T327 PolarHBondContact OE1-OG1 3.31Å; E185-T327 PolarHBondContact OE2-OG1 3.47Å; A189-T327 HydrophobicContact CB-CG2 3.93Å; P325-T327 PolarHBondContact O-N 3.42Å; P325-T327 VanDerWaalsContact O-N 3.11Å
328T96.5Very high97.1Very high104 Ų10458.9 Ų58.964%0.63831%0.309SS*.G310 helixtrans-89.1-12.717573.10000113.2P325 F326P325-T328 HydrophobicContact CB-CG2 4.11Å; P325-T328 WeakPolarHBondContact O-CB 3.25Å; P325-T328 PolarHBondContact O-N 2.96Å; P325-T328 PolarHBondContact O-OG1 3.02Å; F326-T328 PolarHBondContact O-N 3.24Å
329L97Very high97.3Very high58 Ų5857.8 Ų57.830%0.30430%0.301SS..SBendtrans-91.4147.4-176.7-57-178.4000111.6E220 V324 F326 L331E220-L329 HydrophobicContact CG-CD1 4.46Å; V324-L329 HydrophobicContact CG1-CD1 3.85Å; F326-L329 HydrophobicContact CD1-CD1 4.05Å; F326-L329 PolarHBondContact O-N 3.24Å; F326-L329 VanDerWaalsContact O-N 3.07Å; L329-L331 HydrophobicContact CB-CD2 4.11Å; L329-L331 PolarHBondContact O-N 2.7Å; L329-L331 VanDerWaalsContact O-N 3.15Å
330D96.9Very high97.4Very high121 Ų12156.7 Ų56.765%0.64730%0.295SS*.  trans-77.798.2168.2-18014.6000110.6S332D330-S332 VanDerWaalsContact C-N 3.31Å; D330-S332 VanDerWaalsContact CG-OG 3.32Å; D330-S332 WeakPolarHBondContact OD1-CA 3.21Å; D330-S332 WeakPolarHBondContact OD1-CB 3.26Å; D330-S332 PolarHBondContact OD1-N 3.35Å; D330-S332 PolarHBondContact OD1-OG 3.34Å; D330-S332 PolarHBondContact OD2-OG 3.31Å; D330-S332 VanDerWaalsContact OD2-OG 3.13Å
331L97.7Very high97.3Very high12 Ų1264 Ų646%0.06333%0.327CS..  trans-88.87.8175.7-56-175.7000113.4A189 T190 L193 L222 F326 L329 Y333 L334A189-L331 HydrophobicContact CB-CD1 3.77Å; T190-L331 HydrophobicContact CG2-CD1 4.22Å; L193-L331 HydrophobicContact CD1-CB 3.93Å; L222-L331 HydrophobicContact CD1-CD1 4.24Å; L222-L331 HydrophobicContact CD1-CD2 4.2Å; F326-L331 HydrophobicContact CB-CD1 4.47Å; F326-L331 HydrophobicContact CD1-CD1 4.3Å; F326-L331 HydrophobicContact CD1-CD2 4.22Å; L329-L331 HydrophobicContact CB-CD2 4.11Å; L329-L331 PolarHBondContact O-N 2.7Å; L329-L331 VanDerWaalsContact O-N 3.15Å; L331-Y333 HydrophobicContact CD2-CE1 4.14Å; L331-Y333 PolarHBondContact O-N 3.29Å; L331-Y333 VanDerWaalsContact O-N 3.09Å; L331-L334 HydrophobicContact CB-CD1 4.28Å; L331-L334 WeakPolarHBondContact O-CB 3.3Å; L331-L334 PolarHBondContact O-N 2.84Å
332S96.7Very high97.4Very high22 Ų2263.7 Ų63.715%0.15432%0.316CS..G310 helixtrans-63.3-19.5-176.773.60000113.3D330 L334 L335 K338D330-S332 VanDerWaalsContact C-N 3.31Å; D330-S332 VanDerWaalsContact CG-OG 3.32Å; D330-S332 WeakPolarHBondContact OD1-CA 3.21Å; D330-S332 WeakPolarHBondContact OD1-CB 3.26Å; D330-S332 PolarHBondContact OD1-N 3.35Å; D330-S332 PolarHBondContact OD1-OG 3.34Å; D330-S332 PolarHBondContact OD2-OG 3.31Å; D330-S332 VanDerWaalsContact OD2-OG 3.13Å; S332-L334 PolarHBondContact O-N 2.95Å; S332-L334 VanDerWaalsContact O-N 3.14Å; S332-L335 VanDerWaalsContact O-CB 3.31Å; S332-L335 WeakPolarHBondContact O-CB 3.3Å; S332-L335 WeakPolarHBondContact O-CG 3.27Å; S332-L335 PolarHBondContact O-N 2.95Å; S332-K338 WeakPolarHBondContact O-CD 3.21Å; S332-K338 PolarHBondContact OG-NZ 3.5Å
333Y97.8Very high97.4Very high50 Ų5059.3 Ų59.320%0.19630%0.299CS..G310 helixtrans-60-19.5172.678.4-90.4000113.4L222 L331 Y339L222-Y333 WeakPolarHBondContact CB-OH 3.39Å; L222-Y333 PolarHBondContact N-OH 3.13Å; L222-Y333 PolarHBondContact O-OH 2.94Å; L331-Y333 HydrophobicContact CD2-CE1 4.14Å; L331-Y333 PolarHBondContact O-N 3.29Å; L331-Y333 VanDerWaalsContact O-N 3.09Å; Y333-Y339 HydrophobicContact CD2-CD2 4.38Å; Y333-Y339 VanDerWaalsContact O-CA 3.29Å; Y333-Y339 WeakPolarHBondContact O-CA 3.25Å; Y333-Y339 VanDerWaalsContact O-CB 3.28Å; Y333-Y339 WeakPolarHBondContact O-CB 2.97Å; Y333-Y339 PolarHBondContact O-N 3.24Å
334L98.5Very high97.2Very high1 Ų156.2 Ų56.21%0.00529%0.288CS..G310 helixtrans-81.6-12176.7-66.7168.9000113.7L193 L222 R224 I287 L331 S332 K336 Y339L193-L334 HydrophobicContact CD1-CB 3.87Å; L193-L334 HydrophobicContact CD1-CD1 3.69Å; L193-L334 HydrophobicContact CD1-CG 4.42Å; L222-L334 HydrophobicContact CB-CD1 3.81Å; L222-L334 HydrophobicContact CB-CD2 4.07Å; L222-L334 HydrophobicContact CD1-CD1 3.77Å; L222-L334 HydrophobicContact CG-CD1 4.42Å; R224-L334 WeakPolarHBondContact CD-O 3.26Å; R224-L334 PolarHBondContact NH1-O 3.42Å; I287-L334 HydrophobicContact CD1-CB 4.49Å; I287-L334 HydrophobicContact CD1-CD1 4.19Å; I287-L334 HydrophobicContact CG2-CD1 4.25Å; L331-L334 HydrophobicContact CB-CD1 4.28Å; L331-L334 WeakPolarHBondContact O-CB 3.3Å; L331-L334 PolarHBondContact O-N 2.84Å; S332-L334 PolarHBondContact O-N 2.95Å; S332-L334 VanDerWaalsContact O-N 3.14Å; L334-K336 PolarHBondContact O-N 2.7Å; L334-Y339 HydrophobicContact CD2-CD2 3.99Å; L334-Y339 HydrophobicContact CD2-CE2 3.93Å
335L98.3Very high97.1Very high47 Ų4758.7 Ų58.725%0.24631%0.309CS..SBendtrans-63.7132.7171.5-62.4172.9000109.1L193 L196 D197 S332 D337 K338 Y339L193-L335 HydrophobicContact CD2-CD2 3.82Å; L193-L335 HydrophobicContact CD2-CG 4.14Å; L196-L335 HydrophobicContact CB-CD2 4.29Å; D197-L335 HydrophobicContact CB-CD2 3.86Å; S332-L335 VanDerWaalsContact O-CB 3.31Å; S332-L335 WeakPolarHBondContact O-CB 3.3Å; S332-L335 WeakPolarHBondContact O-CG 3.27Å; S332-L335 PolarHBondContact O-N 2.95Å; L335-D337 VanDerWaalsContact C-N 3.3Å; L335-D337 PolarHBondContact O-N 3.33Å; L335-D337 VanDerWaalsContact O-N 3.08Å; L335-K338 PolarHBondContact O-N 3.26Å; L335-Y339 PolarHBondContact O-N 3.44Å
336K97.8Very high97.1Very high66 Ų6661.3 Ų61.329%0.28732%0.315SS..Hα-helixtrans-47.7-46.7-167.1-173.7-177.1175.7-57.90114.3D197 T199 L334 K338 Y339 D340D197-K336 PolarHBondContact OD2-N 3.32Å; T199-K336 HydrophobicContact CG2-CD 3.65Å; T199-K336 WeakPolarHBondContact OG1-CB 3.08Å; T199-K336 WeakPolarHBondContact OG1-CD 3.5Å; L334-K336 PolarHBondContact O-N 2.7Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K336-K338 PolarHBondContact O-N 2.89Å; K336-Y339 PolarHBondContact O-N 3.29Å; K336-D340 IonicContact NZ-OD2 2.69Å; K336-D340 PolarHBondContact NZ-OD2 2.82Å; K336-D340 VanDerWaalsContact O-CB 3.31Å; K336-D340 WeakPolarHBondContact O-CB 3.29Å; K336-D340 PolarHBondContact O-N 3.11Å
337D96.3Very high97.1Very high121 Ų12161.3 Ų61.365%0.64732%0.315SS*.Hα-helixtrans-64.6-35.8-176.4-67.4-20.7000113.5L335 K341L335-D337 VanDerWaalsContact C-N 3.3Å; L335-D337 PolarHBondContact O-N 3.33Å; L335-D337 VanDerWaalsContact O-N 3.08Å; D337-K341 WeakPolarHBondContact O-CD 3.48Å; D337-K341 WeakPolarHBondContact O-CG 3.39Å
338K97.6Very high97.2Very high97 Ų9762.9 Ų62.942%0.42232%0.316SS..Hα-helixtrans-76.6-45.4174.2-66.7-170.2-172.8-179.60110.1S332 L335 K336 D340 K341 Q342S332-K338 WeakPolarHBondContact O-CD 3.21Å; S332-K338 PolarHBondContact OG-NZ 3.5Å; L335-K338 PolarHBondContact O-N 3.26Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K336-K338 PolarHBondContact O-N 2.89Å; K338-D340 PolarHBondContact O-N 3.33Å; K338-K341 PolarHBondContact O-N 2.88Å; K338-Q342 WeakPolarHBondContact O-CG 3.32Å; K338-Q342 PolarHBondContact O-N 3.43Å
339Y98.2Very high97.2Very high12 Ų1262.1 Ų62.15%0.04732%0.32CS..Hα-helixtrans-61.9-46.5-177.1-166.9-90.4000111.8Y223 R224 Y333 L334 L335 K336 K341 Q342 F343 Y401Y223-Y339 WeakPolarHBondContact CA-OH 3.44Å; R224-Y339 HydrophobicContact CB-CD1 3.97Å; R224-Y339 HydrophobicContact CB-CE1 3.64Å; R224-Y339 HydrophobicContact CB-CE2 4.37Å; R224-Y339 HydrophobicContact CB-CG 4.45Å; R224-Y339 VanDerWaalsContact CD-CD1 3.41Å; R224-Y339 VanDerWaalsContact CD-CG 3.43Å; R224-Y339 HydrophobicContact CG-CD1 3.79Å; R224-Y339 HydrophobicContact CG-CD2 3.95Å; R224-Y339 HydrophobicContact CG-CE1 3.91Å; R224-Y339 HydrophobicContact CG-CE2 4.06Å; R224-Y339 HydrophobicContact CG-CG 3.79Å; R224-Y339 VanDerWaalsContact N-CZ 3.29Å; R224-Y339 PolarHBondContact N-OH 3.08Å; Y333-Y339 HydrophobicContact CD2-CD2 4.38Å; Y333-Y339 VanDerWaalsContact O-CA 3.29Å; Y333-Y339 WeakPolarHBondContact O-CA 3.25Å; Y333-Y339 VanDerWaalsContact O-CB 3.28Å; Y333-Y339 WeakPolarHBondContact O-CB 2.97Å; Y333-Y339 PolarHBondContact O-N 3.24Å; L334-Y339 HydrophobicContact CD2-CD2 3.99Å; L334-Y339 HydrophobicContact CD2-CE2 3.93Å; L335-Y339 PolarHBondContact O-N 3.44Å; K336-Y339 PolarHBondContact O-N 3.29Å; Y339-K341 PolarHBondContact O-N 2.91Å; Y339-Q342 PolarHBondContact O-N 2.96Å; Y339-F343 HydrophobicContact CD1-CB 4.09Å; Y339-F343 HydrophobicContact CE1-CB 3.93Å; Y339-F343 HydrophobicContact CE1-CD2 4.13Å; Y339-F343 HydrophobicContact CE1-CG 4.05Å; Y339-F343 WeakPolarHBondContact O-CB 3.4Å; Y339-F343 PolarHBondContact O-N 2.84Å; Y339-Y401 AromaticContact CD1-CD1 4Å; Y339-Y401 HydrophobicContact CD1-CD1 4Å; Y339-Y401 AromaticContact CD1-CE1 3.54Å; Y339-Y401 HydrophobicContact CD1-CE1 3.54Å; Y339-Y401 AromaticContact CD1-CZ 3.88Å; Y339-Y401 AromaticContact CE1-CD1 3.54Å; Y339-Y401 HydrophobicContact CE1-CD1 3.54Å; Y339-Y401 HydrophobicContact CE1-CD2 4.48Å; Y339-Y401 AromaticContact CE1-CE1 3.6Å; Y339-Y401 HydrophobicContact CE1-CE1 3.6Å; Y339-Y401 AromaticContact CE1-CG 3.99Å; Y339-Y401 HydrophobicContact CE1-CG 3.99Å
340D96.9Very high97.2Very high26 Ų2659.7 Ų59.714%0.13931%0.308CS..Hα-helixtrans-57.1-48.2179.9-81.8-4.6000111.6K336 K338 L344 Y401 K402K336-D340 IonicContact NZ-OD2 2.69Å; K336-D340 PolarHBondContact NZ-OD2 2.82Å; K336-D340 VanDerWaalsContact O-CB 3.31Å; K336-D340 WeakPolarHBondContact O-CB 3.29Å; K336-D340 PolarHBondContact O-N 3.11Å; K338-D340 PolarHBondContact O-N 3.33Å; D340-L344 WeakPolarHBondContact O-CB 3.46Å; D340-L344 PolarHBondContact O-N 3.02Å; D340-Y401 VanDerWaalsContact OD1-CE1 3.26Å; D340-Y401 WeakPolarHBondContact OD1-CE1 3.31Å; D340-Y401 VanDerWaalsContact OD1-CZ 3.29Å; D340-Y401 PolarHBondContact OD1-OH 3.42Å; D340-K402 IonicContact OD2-NZ 3.97Å
341K96.2Very high97.2Very high160 Ų16060.3 Ų60.370%0.69630%0.302SS*.Hα-helixtrans-63.2-49.7-179.8-68.5175.9-175176.30111.2D337 K338 Y339 A345D337-K341 WeakPolarHBondContact O-CD 3.48Å; D337-K341 WeakPolarHBondContact O-CG 3.39Å; K338-K341 PolarHBondContact O-N 2.88Å; Y339-K341 PolarHBondContact O-N 2.91Å; K341-A345 VanDerWaalsContact O-CB 3.31Å; K341-A345 WeakPolarHBondContact O-CB 3.34Å; K341-A345 PolarHBondContact O-N 2.63Å
342Q97.4Very high97.2Very high83 Ų8364.8 Ų64.839%0.38832%0.322SS..Hα-helixtrans-68.2-43.6-177.7-68.4-179.314.900112.2K338 Y339 A345 K346K338-Q342 WeakPolarHBondContact O-CG 3.32Å; K338-Q342 PolarHBondContact O-N 3.43Å; Y339-Q342 PolarHBondContact O-N 2.96Å; Q342-A345 PolarHBondContact O-N 3.15Å; Q342-K346 VanDerWaalsContact O-CG 3.31Å; Q342-K346 WeakPolarHBondContact O-CG 3.34Å; Q342-K346 PolarHBondContact O-N 2.85Å
343F97.5Very high97.2Very high16 Ų1663.9 Ų63.97%0.0732%0.316CS..Hα-helixtrans-62.6-49.3178.6-178.3-101.7000110.7Y339 A345 K346 V347 Y401 V404 Y415Y339-F343 HydrophobicContact CD1-CB 4.09Å; Y339-F343 HydrophobicContact CE1-CB 3.93Å; Y339-F343 HydrophobicContact CE1-CD2 4.13Å; Y339-F343 HydrophobicContact CE1-CG 4.05Å; Y339-F343 WeakPolarHBondContact O-CB 3.4Å; Y339-F343 PolarHBondContact O-N 2.84Å; F343-A345 VanDerWaalsContact C-N 3.32Å; F343-A345 PolarHBondContact O-N 3.09Å; F343-K346 WeakPolarHBondContact O-CB 3.36Å; F343-K346 PolarHBondContact O-N 3.08Å; F343-K346 VanDerWaalsContact O-N 3.17Å; F343-V347 HydrophobicContact CD1-CG2 4.2Å; F343-V347 HydrophobicContact CE1-CG2 3.83Å; F343-V347 HydrophobicContact CE2-CG2 4.23Å; F343-V347 HydrophobicContact CZ-CG2 3.85Å; F343-V347 WeakPolarHBondContact O-CG2 3.21Å; F343-V347 PolarHBondContact O-N 2.84Å; F343-Y401 AromaticContact CD1-CD1 3.79Å; F343-Y401 HydrophobicContact CD1-CD1 3.79Å; F343-Y401 HydrophobicContact CD1-CE1 4.43Å; F343-Y401 AromaticContact CE1-CD1 3.96Å; F343-Y401 HydrophobicContact CE1-CD1 3.96Å; F343-Y401 HydrophobicContact CG-CD1 4.22Å; F343-V404 HydrophobicContact CE1-CB 4.04Å; F343-V404 HydrophobicContact CE1-CG1 4.45Å; F343-V404 HydrophobicContact CE1-CG2 4.31Å; F343-V404 HydrophobicContact CZ-CB 3.84Å; F343-V404 HydrophobicContact CZ-CG1 3.94Å; F343-Y415 HydrophobicContact CE2-CE1 4.36Å
344L95.5Very high97.1Very high55 Ų5565.6 Ų65.629%0.28833%0.331SS..Hα-helixtrans-62-40.5178.9-170.672.5000111.7D340 V347 K348 W421D340-L344 WeakPolarHBondContact O-CB 3.46Å; D340-L344 PolarHBondContact O-N 3.02Å; L344-V347 PolarHBondContact O-N 3.43Å; L344-K348 HydrophobicContact CG-CD 4.16Å; L344-K348 HydrophobicContact CG-CG 4.47Å; L344-K348 VanDerWaalsContact O-CB 3.32Å; L344-K348 WeakPolarHBondContact O-CB 3.44Å; L344-K348 VanDerWaalsContact O-CG 3.3Å; L344-K348 WeakPolarHBondContact O-CG 3.38Å; L344-K348 PolarHBondContact O-N 3.47Å; L344-W421 HydrophobicContact CD1-CE3 3.92Å; L344-W421 HydrophobicContact CD1-CZ3 3.52Å
345A96.6Very high96.9Very high56 Ų5668.1 Ų68.146%0.46334%0.341SS..Hα-helixtrans-60.9-43.5174.900000112.2K341 Q342 F343 K348 A349K341-A345 VanDerWaalsContact O-CB 3.31Å; K341-A345 WeakPolarHBondContact O-CB 3.34Å; K341-A345 PolarHBondContact O-N 2.63Å; Q342-A345 PolarHBondContact O-N 3.15Å; F343-A345 VanDerWaalsContact C-N 3.32Å; F343-A345 PolarHBondContact O-N 3.09Å; A345-K348 PolarHBondContact O-N 2.81Å; A345-A349 VanDerWaalsContact O-CB 3.3Å; A345-A349 WeakPolarHBondContact O-CB 3.27Å; A345-A349 PolarHBondContact O-N 2.93Å
346K97.5Very high96.7Very high107 Ų10768.9 Ų68.947%0.46535%0.354SS..Hα-helixtrans-61.8-44.9175.8-72.9172.2-177.6178.10112.1Q342 F343 A350Q342-K346 VanDerWaalsContact O-CG 3.31Å; Q342-K346 WeakPolarHBondContact O-CG 3.34Å; Q342-K346 PolarHBondContact O-N 2.85Å; F343-K346 WeakPolarHBondContact O-CB 3.36Å; F343-K346 PolarHBondContact O-N 3.08Å; F343-K346 VanDerWaalsContact O-N 3.17Å; K346-A350 PolarHBondContact O-N 3.43Å
347V97.4Very high96.5Very high0 Ų068.6 Ų68.60%035%0.354CS..Hα-helixtrans-67.7-38.2178.5-178.30000111F343 L344 R370 V404 Y415 W421F343-V347 HydrophobicContact CD1-CG2 4.2Å; F343-V347 HydrophobicContact CE1-CG2 3.83Å; F343-V347 HydrophobicContact CE2-CG2 4.23Å; F343-V347 HydrophobicContact CZ-CG2 3.85Å; F343-V347 WeakPolarHBondContact O-CG2 3.21Å; F343-V347 PolarHBondContact O-N 2.84Å; L344-V347 PolarHBondContact O-N 3.43Å; V347-R370 HydrophobicContact CG1-CG 4.42Å; V347-R370 PolarHBondContact O-NH1 3.46Å; V347-V404 HydrophobicContact CG2-CG1 4.19Å; V347-Y415 HydrophobicContact CG2-CD1 3.73Å; V347-Y415 HydrophobicContact CG2-CE1 4.03Å; V347-Y415 HydrophobicContact CG2-CG 4.01Å; V347-W421 HydrophobicContact CB-CE3 4.41Å; V347-W421 HydrophobicContact CB-CH2 4.21Å; V347-W421 HydrophobicContact CB-CZ3 3.76Å; V347-W421 HydrophobicContact CG1-CD2 4.25Å; V347-W421 HydrophobicContact CG1-CE3 3.7Å; V347-W421 HydrophobicContact CG1-CH2 3.7Å; V347-W421 HydrophobicContact CG1-CZ2 4.32Å; V347-W421 HydrophobicContact CG1-CZ3 3.37Å
348K96.2Very high96.4Very high107 Ų10763.1 Ų63.147%0.46532%0.324SS..Hα-helixtrans-63.8-45175.4-79.3-179175.9-175.50112.6L344 A345 A350 R370 W421L344-K348 HydrophobicContact CG-CD 4.16Å; L344-K348 HydrophobicContact CG-CG 4.47Å; L344-K348 VanDerWaalsContact O-CB 3.32Å; L344-K348 WeakPolarHBondContact O-CB 3.44Å; L344-K348 VanDerWaalsContact O-CG 3.3Å; L344-K348 WeakPolarHBondContact O-CG 3.38Å; L344-K348 PolarHBondContact O-N 3.47Å; A345-K348 PolarHBondContact O-N 2.81Å; K348-A350 VanDerWaalsContact C-N 3.28Å; K348-A350 PolarHBondContact O-N 3.2Å; K348-R370 PolarHBondContact O-NH1 3.14Å; K348-W421 HydrophobicContact CB-CH2 4.2Å; K348-W421 HydrophobicContact CG-CH2 3.37Å; K348-W421 HydrophobicContact CG-CZ2 4.38Å; K348-W421 HydrophobicContact CG-CZ3 3.95Å
349A97.1Very high96.2Very high88 Ų8860.9 Ų60.973%0.72732%0.321SS*.Hα-helixtrans-71-20.4-178.700000113.8A345A345-A349 VanDerWaalsContact O-CB 3.3Å; A345-A349 WeakPolarHBondContact O-CB 3.27Å; A345-A349 PolarHBondContact O-N 2.93Å
350A97.8Very high95.9Very high7 Ų764.8 Ų64.86%0.05835%0.349CS..SBendtrans-65.8136.5177.500000111.7K346 K348 Q352 P368 R370 Y415K346-A350 PolarHBondContact O-N 3.43Å; K348-A350 VanDerWaalsContact C-N 3.28Å; K348-A350 PolarHBondContact O-N 3.2Å; A350-Q352 PolarHBondContact O-N 3.26Å; A350-P368 CarbonylContact C-O 3.59Å; A350-P368 VanDerWaalsContact CA-O 3.25Å; A350-P368 WeakPolarHBondContact CA-O 3.33Å; A350-P368 HydrophobicContact CB-CB 4.15Å; A350-P368 WeakPolarHBondContact CB-O 3.41Å; A350-R370 HydrophobicContact CB-CB 4.09Å; A350-Y415 HydrophobicContact CB-CD2 3.74Å; A350-Y415 HydrophobicContact CB-CE2 4Å
351R96.9Very high95.4Very high134 Ų13465.4 Ų65.451%0.50635%0.353SS..EExtended strand (participates in β ladder)trans-64.1123178.4173.6-179157.7170.2-6.1109.5V353 E357 P368 V369 R370R351-V353 HydrophobicContact CG-CG1 4.05Å; R351-V353 PolarHBondContact O-N 3.02Å; R351-E357 IonicContact CZ-OE1 3.69Å; R351-E357 IonicContact NE-OE1 3.97Å; R351-E357 IonicContact NH2-OE1 2.71Å; R351-E357 PolarHBondContact NH2-OE1 2.91Å; R351-P368 PolarHBondContact N-O 3.33Å; R351-V369 HydrophobicContact CB-CG1 4.5Å; R351-V369 CarbonylContact O-C 3.53Å; R351-V369 VanDerWaalsContact O-CA 3.24Å; R351-V369 WeakPolarHBondContact O-CA 3.48Å; R351-R370 PolarHBondContact O-N 2.87Å
352Q97.1Very high94.8Very high105 Ų10562.7 Ų62.749%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-72.7127.6173.6-174.1169.8-50.100110.2A350 R370 L372A350-Q352 PolarHBondContact O-N 3.26Å; Q352-R370 VanDerWaalsContact CA-O 3.3Å; Q352-R370 WeakPolarHBondContact CA-O 3.26Å; Q352-L372 HydrophobicContact CG-CG 4.46Å
353V96.5Very high94.3Very high4 Ų461.9 Ų61.92%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-130.6151.1175.3-610000109.5R351 E357 Y358 F365 V369 R370 V371R351-V353 HydrophobicContact CG-CG1 4.05Å; R351-V353 PolarHBondContact O-N 3.02Å; V353-E357 HydrophobicContact CB-CB 4.46Å; V353-E357 HydrophobicContact CB-CG 4.28Å; V353-E357 WeakPolarHBondContact CB-OE2 3.4Å; V353-E357 WeakPolarHBondContact CG1-OE1 3.47Å; V353-Y358 HydrophobicContact CG2-CD2 4.1Å; V353-F365 HydrophobicContact CG1-CE1 4.18Å; V353-V369 HydrophobicContact CG1-CG1 4.33Å; V353-V369 HydrophobicContact CG2-CB 4.04Å; V353-V369 HydrophobicContact CG2-CG1 4.48Å; V353-V369 HydrophobicContact CG2-CG2 4.39Å; V353-R370 PolarHBondContact N-O 3.22Å; V353-V371 HydrophobicContact CG2-CG2 3.85Å
354T95.5Very high94Very high85 Ų8569.3 Ų69.352%0.52139%0.385SS..  trans-75.8160177.166.10000111A356 E357 Y358T354-A356 PolarHBondContact O-N 2.79Å; T354-E357 PolarHBondContact O-N 3.26Å; T354-E357 WeakPolarHBondContact OG1-CB 3.41Å; T354-E357 PolarHBondContact OG1-N 2.7Å; T354-E357 VanDerWaalsContact OG1-N 3.11Å; T354-Y358 WeakPolarHBondContact O-CB 3.49Å; T354-Y358 PolarHBondContact O-N 3.31Å
355W94.5Very high93.9Very high54 Ų5467.8 Ų67.821%0.20538%0.376CS..Hα-helixtrans-58.6-38.4172.2177.3-116.9000112.4Y358 S359 V371 I382 Q385 I386 F416W355-Y358 HydrophobicContact CE3-CD1 4.06Å; W355-Y358 HydrophobicContact CH2-CD1 4.31Å; W355-Y358 AromaticContact CZ3-CD1 3.48Å; W355-Y358 HydrophobicContact CZ3-CD1 3.48Å; W355-Y358 VanDerWaalsContact CZ3-CD1 3.48Å; W355-Y358 HydrophobicContact CZ3-CE1 4.08Å; W355-Y358 HydrophobicContact CZ3-CG 4.37Å; W355-Y358 PolarHBondContact O-N 3.06Å; W355-S359 VanDerWaalsContact O-CB 3.29Å; W355-S359 WeakPolarHBondContact O-CB 3.48Å; W355-S359 PolarHBondContact O-N 2.51Å; W355-S359 PolarHBondContact O-OG 2.96Å; W355-V371 HydrophobicContact CB-CG1 4.43Å; W355-V371 HydrophobicContact CE3-CG1 4.22Å; W355-I382 HydrophobicContact CD2-CD1 4.31Å; W355-I382 HydrophobicContact CD2-CG1 3.89Å; W355-I382 HydrophobicContact CE3-CD1 4.22Å; W355-I382 HydrophobicContact CE3-CG1 3.98Å; W355-I382 HydrophobicContact CE3-CG2 4.06Å; W355-I382 HydrophobicContact CG-CG1 4.43Å; W355-I382 HydrophobicContact CH2-CB 4.32Å; W355-I382 HydrophobicContact CH2-CG1 4.37Å; W355-I382 HydrophobicContact CH2-CG2 3.78Å; W355-I382 HydrophobicContact CZ2-CB 4.49Å; W355-I382 HydrophobicContact CZ2-CG1 4.26Å; W355-I382 HydrophobicContact CZ2-CG2 4.43Å; W355-I382 HydrophobicContact CZ3-CB 4.37Å; W355-I382 HydrophobicContact CZ3-CG1 4.24Å; W355-I382 HydrophobicContact CZ3-CG2 3.57Å; W355-Q385 HydrophobicContact CH2-CB 4.45Å; W355-Q385 HydrophobicContact CZ2-CB 4.04Å; W355-I386 HydrophobicContact CH2-CD1 3.78Å; W355-I386 HydrophobicContact CH2-CG1 3.77Å; W355-I386 HydrophobicContact CZ3-CD1 3.77Å; W355-I386 HydrophobicContact CZ3-CG1 4.29Å; W355-F416 HydrophobicContact CE3-CE1 4.38Å; W355-F416 HydrophobicContact CZ3-CE1 4.03Å; W355-F416 HydrophobicContact CZ3-CZ 4.48Å
356A93.6Very high93.7Very high63 Ų6373.2 Ų73.252%0.52140%0.398SS..Hα-helixtrans-63.1-45.4177.900000111.7T354 S359 S360T354-A356 PolarHBondContact O-N 2.79Å; A356-S359 PolarHBondContact O-OG 2.94Å; A356-S360 VanDerWaalsContact O-CB 3.26Å; A356-S360 WeakPolarHBondContact O-CB 3.4Å; A356-S360 PolarHBondContact O-N 2.99Å; A356-S360 PolarHBondContact O-OG 2.89Å
357E93.7Very high93.5Very high61 Ų6170.7 Ų70.729%0.28539%0.393SS..Hα-helixtrans-62-45.7174.3-176.9-176.3173.300111.2R351 V353 T354 S360 N361R351-E357 IonicContact CZ-OE1 3.69Å; R351-E357 IonicContact NE-OE1 3.97Å; R351-E357 IonicContact NH2-OE1 2.71Å; R351-E357 PolarHBondContact NH2-OE1 2.91Å; V353-E357 HydrophobicContact CB-CB 4.46Å; V353-E357 HydrophobicContact CB-CG 4.28Å; V353-E357 WeakPolarHBondContact CB-OE2 3.4Å; V353-E357 WeakPolarHBondContact CG1-OE1 3.47Å; T354-E357 PolarHBondContact O-N 3.26Å; T354-E357 WeakPolarHBondContact OG1-CB 3.41Å; T354-E357 PolarHBondContact OG1-N 2.7Å; T354-E357 VanDerWaalsContact OG1-N 3.11Å; E357-S360 PolarHBondContact O-OG 3.44Å; E357-N361 WeakPolarHBondContact O-CB 3.39Å; E357-N361 PolarHBondContact O-N 3.01Å
358Y94.8Very high93.5Very high5 Ų573.4 Ų73.42%0.0241%0.411CS..Hα-helixtrans-65.2-43-179.2-171-88.5000113.3V353 T354 W355 F365 V369 V371 I386 F409 T414 F416V353-Y358 HydrophobicContact CG2-CD2 4.1Å; T354-Y358 WeakPolarHBondContact O-CB 3.49Å; T354-Y358 PolarHBondContact O-N 3.31Å; W355-Y358 HydrophobicContact CE3-CD1 4.06Å; W355-Y358 HydrophobicContact CH2-CD1 4.31Å; W355-Y358 AromaticContact CZ3-CD1 3.48Å; W355-Y358 HydrophobicContact CZ3-CD1 3.48Å; W355-Y358 VanDerWaalsContact CZ3-CD1 3.48Å; W355-Y358 HydrophobicContact CZ3-CE1 4.08Å; W355-Y358 HydrophobicContact CZ3-CG 4.37Å; W355-Y358 PolarHBondContact O-N 3.06Å; Y358-F365 AromaticContact CD2-CE2 3.66Å; Y358-F365 HydrophobicContact CD2-CE2 3.66Å; Y358-F365 HydrophobicContact CD2-CZ 4.03Å; Y358-F365 AromaticContact CE2-CE2 3.91Å; Y358-F365 HydrophobicContact CE2-CE2 3.91Å; Y358-V369 HydrophobicContact CD2-CG2 3.96Å; Y358-V369 HydrophobicContact CE2-CG2 3.67Å; Y358-V371 HydrophobicContact CD2-CG2 3.71Å; Y358-V371 HydrophobicContact CE2-CG2 4.33Å; Y358-V371 HydrophobicContact CG-CG2 3.83Å; Y358-I386 HydrophobicContact CD1-CD1 4.42Å; Y358-I386 HydrophobicContact CE1-CD1 3.67Å; Y358-F409 HydrophobicContact CE1-CD1 4.22Å; Y358-F409 WeakPolarHBondContact OH-CD1 3.24Å; Y358-T414 HydrophobicContact CD2-CG2 4.49Å; Y358-T414 HydrophobicContact CE2-CG2 3.62Å; Y358-T414 WeakPolarHBondContact CE2-OG1 3.31Å; Y358-T414 PolarHBondContact OH-OG1 2.94Å; Y358-F416 HydrophobicContact CE1-CZ 4.02Å
359S93Very high93.6Very high51 Ų5168.3 Ų68.336%0.35739%0.389SS..Hα-helixtrans-75.4-36-177.455.60000112.8W355 A356W355-S359 VanDerWaalsContact O-CB 3.29Å; W355-S359 WeakPolarHBondContact O-CB 3.48Å; W355-S359 PolarHBondContact O-N 2.51Å; W355-S359 PolarHBondContact O-OG 2.96Å; A356-S359 PolarHBondContact O-OG 2.94Å
360S91.6Very high93.6Very high93 Ų9365.2 Ų65.265%0.6536%0.359SS*.Hα-helixtrans-76.4-27.317661.10000113.1A356 E357 S362A356-S360 VanDerWaalsContact O-CB 3.26Å; A356-S360 WeakPolarHBondContact O-CB 3.4Å; A356-S360 PolarHBondContact O-N 2.99Å; A356-S360 PolarHBondContact O-OG 2.89Å; E357-S360 PolarHBondContact O-OG 3.44Å; S360-S362 PolarHBondContact O-N 3.03Å
361N86.7Confident93.6Very high39 Ų3964.9 Ų64.921%0.20936%0.356CS..  trans-75.6108.1178.7-171.316.1000111.7E357 S363 F365 R410E357-N361 WeakPolarHBondContact O-CB 3.39Å; E357-N361 PolarHBondContact O-N 3.01Å; N361-S363 PolarHBondContact ND2-O 3.11Å; N361-S363 PolarHBondContact ND2-OG 2.54Å; N361-S363 PolarHBondContact OD1-N 2.89Å; N361-S363 PolarHBondContact OD1-OG 3.05Å; N361-F365 HydrophobicContact CB-CE1 4.47Å; N361-F365 HydrophobicContact CB-CE2 4.41Å; N361-F365 HydrophobicContact CB-CZ 3.87Å; N361-F365 VanDerWaalsContact ND2-CE1 3.32Å; N361-F365 WeakPolarHBondContact ND2-CE1 3.27Å; N361-F365 VanDerWaalsContact ND2-CZ 3.27Å; N361-F365 WeakPolarHBondContact ND2-CZ 3.47Å; N361-R410 PolarHBondContact O-NH1 2.97Å
362S83.7Confident93.6Very high104 Ų10460.5 Ų60.573%0.72734%0.342SS*.  trans-83.1-14.1174.157.50000113.4S360S360-S362 PolarHBondContact O-N 3.03Å
363S87.5Confident93.6Very high66 Ų6656.1 Ų56.146%0.46232%0.321SS..SBendtrans-84.9161.3179.580.40000112.3N361N361-S363 PolarHBondContact ND2-O 3.11Å; N361-S363 PolarHBondContact ND2-OG 2.54Å; N361-S363 PolarHBondContact OD1-N 2.89Å; N361-S363 PolarHBondContact OD1-OG 3.05Å
364R90.2Very high93.5Very high171 Ų17161.3 Ų61.365%0.64535%0.349SS*.PPolyproline II helixtrans-63.6141.8167.1178.9178.7178.5-177.10.1109.3R410 G411 T412R364-R410 WeakPolarHBondContact CB-O 3.43Å; R364-R410 WeakPolarHBondContact CG-O 3.25Å; R364-G411 PolarHBondContact NE-O 2.71Å; R364-G411 PolarHBondContact NH2-O 3.01Å; R364-T412 WeakPolarHBondContact CG-OG1 3.22Å
365F93Very high93.3Very high23 Ų2359.1 Ų59.110%0.10134%0.343CS..PPolyproline II helixtrans-86143.2167.2-63.8-91.1000110.3V353 Y358 N361 S367 V369 T412V353-F365 HydrophobicContact CG1-CE1 4.18Å; Y358-F365 AromaticContact CD2-CE2 3.66Å; Y358-F365 HydrophobicContact CD2-CE2 3.66Å; Y358-F365 HydrophobicContact CD2-CZ 4.03Å; Y358-F365 AromaticContact CE2-CE2 3.91Å; Y358-F365 HydrophobicContact CE2-CE2 3.91Å; N361-F365 HydrophobicContact CB-CE1 4.47Å; N361-F365 HydrophobicContact CB-CE2 4.41Å; N361-F365 HydrophobicContact CB-CZ 3.87Å; N361-F365 VanDerWaalsContact ND2-CE1 3.32Å; N361-F365 WeakPolarHBondContact ND2-CE1 3.27Å; N361-F365 VanDerWaalsContact ND2-CZ 3.27Å; N361-F365 WeakPolarHBondContact ND2-CZ 3.47Å; F365-S367 PolarHBondContact O-N 2.86Å; F365-V369 HydrophobicContact CB-CG1 3.75Å; F365-V369 HydrophobicContact CD1-CG1 3.75Å; F365-V369 HydrophobicContact CD2-CG1 4.06Å; F365-V369 HydrophobicContact CD2-CG2 4.24Å; F365-V369 HydrophobicContact CE1-CG1 4.33Å; F365-V369 HydrophobicContact CE2-CG2 4.48Å; F365-V369 HydrophobicContact CG-CG1 3.6Å; F365-T412 HydrophobicContact CB-CG2 3.85Å; F365-T412 HydrophobicContact CD2-CG2 4.32Å; F365-T412 PolarHBondContact N-OG1 3.28Å; F365-T412 PolarHBondContact O-OG1 2.91Å
366D92.5Very high93.1Very high171 Ų17161.4 Ų61.491%0.91436%0.356SS*.SBendtrans-68.6-18.9-176.4-57-42.3000114
367S94.7Very high93Very high53 Ų5365 Ų6537%0.37137%0.367SS..SBendtrans-141.1163.3179.964.50000110.7F365 V369 T412F365-S367 PolarHBondContact O-N 2.86Å; S367-V369 PolarHBondContact O-N 2.93Å; S367-T412 WeakPolarHBondContact O-CG2 3.42Å
368P97.8Very high93Very high58 Ų5864.4 Ų64.438%0.37736%0.364SS..  trans-53.5141.3171.8-26.235.7000111.6A350 R351 R413 Y415A350-P368 CarbonylContact C-O 3.59Å; A350-P368 VanDerWaalsContact CA-O 3.25Å; A350-P368 WeakPolarHBondContact CA-O 3.33Å; A350-P368 HydrophobicContact CB-CB 4.15Å; A350-P368 WeakPolarHBondContact CB-O 3.41Å; R351-P368 PolarHBondContact N-O 3.33Å; P368-R413 WeakPolarHBondContact CA-O 3.37Å; P368-R413 HydrophobicContact CB-CB 4.18Å; P368-R413 HydrophobicContact CG-CB 4.34Å; P368-Y415 HydrophobicContact CB-CE2 4.11Å
369V97.9Very high93.1Very high0 Ų064.3 Ų64.30%036%0.364CS..EExtended strand (participates in β ladder)trans-119.4151.8-177.8-61.60000112.1R351 V353 Y358 F365 S367 T412 R413 T414 Y415R351-V369 HydrophobicContact CB-CG1 4.5Å; R351-V369 CarbonylContact O-C 3.53Å; R351-V369 VanDerWaalsContact O-CA 3.24Å; R351-V369 WeakPolarHBondContact O-CA 3.48Å; V353-V369 HydrophobicContact CG1-CG1 4.33Å; V353-V369 HydrophobicContact CG2-CB 4.04Å; V353-V369 HydrophobicContact CG2-CG1 4.48Å; V353-V369 HydrophobicContact CG2-CG2 4.39Å; Y358-V369 HydrophobicContact CD2-CG2 3.96Å; Y358-V369 HydrophobicContact CE2-CG2 3.67Å; F365-V369 HydrophobicContact CB-CG1 3.75Å; F365-V369 HydrophobicContact CD1-CG1 3.75Å; F365-V369 HydrophobicContact CD2-CG1 4.06Å; F365-V369 HydrophobicContact CD2-CG2 4.24Å; F365-V369 HydrophobicContact CE1-CG1 4.33Å; F365-V369 HydrophobicContact CE2-CG2 4.48Å; F365-V369 HydrophobicContact CG-CG1 3.6Å; S367-V369 PolarHBondContact O-N 2.93Å; V369-T412 HydrophobicContact CG1-CG2 4.36Å; V369-T412 HydrophobicContact CG2-CG2 4.03Å; V369-R413 PolarHBondContact N-O 3.36Å; V369-T414 HydrophobicContact CG2-CG2 4Å; V369-T414 WeakPolarHBondContact O-CA 3.22Å; V369-Y415 PolarHBondContact O-N 2.98Å
370R97.5Very high93Very high23 Ų2363 Ų639%0.08736%0.356CS..EExtended strand (participates in β ladder)trans-118.6124.9174.6-176.317769-130.85.1109.3V347 K348 A350 R351 Q352 V353 L372 Y415 A417 W421V347-R370 HydrophobicContact CG1-CG 4.42Å; V347-R370 PolarHBondContact O-NH1 3.46Å; K348-R370 PolarHBondContact O-NH1 3.14Å; A350-R370 HydrophobicContact CB-CB 4.09Å; R351-R370 PolarHBondContact O-N 2.87Å; Q352-R370 VanDerWaalsContact CA-O 3.3Å; Q352-R370 WeakPolarHBondContact CA-O 3.26Å; V353-R370 PolarHBondContact N-O 3.22Å; R370-L372 HydrophobicContact CG-CD2 4.22Å; R370-Y415 CarbonylContact C-O 3.56Å; R370-Y415 VanDerWaalsContact CA-O 3.3Å; R370-Y415 WeakPolarHBondContact CA-O 3.35Å; R370-A417 HydrophobicContact CG-CB 4.13Å; R370-W421 VanDerWaalsContact CZ-CZ2 3.42Å; R370-W421 VanDerWaalsContact NH1-CZ2 3.34Å
371V97.5Very high93.1Very high0 Ų065.7 Ų65.70%035%0.352CS..EExtended strand (participates in β ladder)trans-110.1125.7173-178.60000107.6V353 W355 Y358 T414 Y415 F416 A417V353-V371 HydrophobicContact CG2-CG2 3.85Å; W355-V371 HydrophobicContact CB-CG1 4.43Å; W355-V371 HydrophobicContact CE3-CG1 4.22Å; Y358-V371 HydrophobicContact CD2-CG2 3.71Å; Y358-V371 HydrophobicContact CE2-CG2 4.33Å; Y358-V371 HydrophobicContact CG-CG2 3.83Å; V371-T414 HydrophobicContact CG2-CG2 4.37Å; V371-Y415 PolarHBondContact N-O 3.13Å; V371-F416 HydrophobicContact CB-CD1 3.69Å; V371-F416 HydrophobicContact CB-CE1 3.7Å; V371-F416 HydrophobicContact CG1-CD1 3.99Å; V371-F416 HydrophobicContact CG1-CE1 3.95Å; V371-F416 HydrophobicContact CG2-CD1 4.39Å; V371-F416 HydrophobicContact CG2-CE1 3.93Å; V371-F416 CarbonylContact O-C 3.55Å; V371-F416 WeakPolarHBondContact O-CA 3.31Å; V371-A417 PolarHBondContact O-N 3.19Å
372L97.3Very high93.5Very high41 Ų4163.9 Ų63.922%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-83.1145175.2-58.4-174.9000110.6Q352 R370 A417Q352-L372 HydrophobicContact CG-CG 4.46Å; R370-L372 HydrophobicContact CG-CD2 4.22Å; L372-A417 CarbonylContact C-O 3.51Å; L372-A417 VanDerWaalsContact CA-O 3.25Å; L372-A417 WeakPolarHBondContact CA-O 3.29Å; L372-A417 HydrophobicContact CD2-CB 4.12Å
373Y96.1Very high93.9Very high13 Ų1359 Ų595%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-131.1149.7171.971.3-96.5000111.3G375 E378 L379 G403 F416 A417 P418 N419Y373-G375 WeakPolarHBondContact CD2-O 3.22Å; Y373-E378 WeakPolarHBondContact CA-OE2 3.27Å; Y373-L379 HydrophobicContact CD1-CD1 3.85Å; Y373-L379 HydrophobicContact CD2-CB 3.81Å; Y373-L379 HydrophobicContact CD2-CD1 4.49Å; Y373-L379 HydrophobicContact CE1-CD1 3.98Å; Y373-L379 HydrophobicContact CE1-CD2 4.24Å; Y373-L379 HydrophobicContact CE2-CB 4.04Å; Y373-L379 HydrophobicContact CE2-CD2 4.05Å; Y373-L379 HydrophobicContact CE2-CG 4.47Å; Y373-L379 HydrophobicContact CG-CB 4.14Å; Y373-L379 HydrophobicContact CG-CD1 4.12Å; Y373-G403 PolarHBondContact OH-O 3.28Å; Y373-F416 HydrophobicContact CD1-CB 4.1Å; Y373-F416 HydrophobicContact CE1-CB 4.39Å; Y373-F416 WeakPolarHBondContact CE1-O 3.46Å; Y373-A417 VanDerWaalsContact CD1-O 3.31Å; Y373-A417 WeakPolarHBondContact CD1-O 3.3Å; Y373-A417 PolarHBondContact N-O 2.7Å; Y373-P418 HydrophobicContact CE1-CB 4.29Å; Y373-P418 VanDerWaalsContact CE1-N 3.25Å; Y373-P418 HydrophobicContact CE2-CB 3.96Å; Y373-P418 WeakPolarHBondContact O-CA 3.32Å; Y373-N419 PolarHBondContact O-N 3.21Å; Y373-N419 VanDerWaalsContact O-N 3.1Å
374D94Very high94.1Very high113 Ų11363 Ų6360%0.60432%0.317SS*.  trans-110.793.8-179.7-161.734.3000111.1E378 N419D374-E378 WeakPolarHBondContact CB-OE2 3.32Å; D374-E378 PolarHBondContact N-OE2 3.11Å; D374-N419 WeakPolarHBondContact CB-ND2 3.49Å; D374-N419 PolarHBondContact OD1-ND2 3.05Å
375G91.4Very high94.2Very high40 Ų4061 Ų6141%0.41232%0.315SS..Hα-helixtrans74179.517700000115.2Y373 N377 L379Y373-G375 WeakPolarHBondContact CD2-O 3.22Å; G375-N377 PolarHBondContact O-N 2.9Å; G375-L379 PolarHBondContact O-N 3.29Å
376E90.3Very high94.1Very high102 Ų10261 Ų6148%0.47732%0.316SS..Hα-helixtrans-69.5-37-169-48.7-169.6160.600112.7E378 L379 A380 L392 G395E376-E378 PolarHBondContact O-N 3.32Å; E376-L379 PolarHBondContact O-N 2.66Å; E376-A380 WeakPolarHBondContact O-CB 3.15Å; E376-A380 PolarHBondContact O-N 2.95Å; E376-L392 HydrophobicContact CB-CD1 4.36Å; E376-L392 HydrophobicContact CB-CD2 4Å; E376-L392 HydrophobicContact CG-CD2 3.65Å; E376-G395 WeakPolarHBondContact OE1-CA 3.36Å
377N92.1Very high93.9Very high139 Ų13954.2 Ų54.274%0.74329%0.287SS*.Hα-helixtrans-65.7-38.1-178.2-71.3-27.6000112.4G375 R381G375-N377 PolarHBondContact O-N 2.9Å; N377-R381 WeakPolarHBondContact O-CG 3.32Å; N377-R381 PolarHBondContact O-N 3.35Å
378E94.5Very high93.7Very high47 Ų4751.9 Ų51.922%0.2227%0.27CS..Hα-helixtrans-70.1-45.3174.9-178162.8-125.300111.3Y373 D374 E376 A380 R381 I382Y373-E378 WeakPolarHBondContact CA-OE2 3.27Å; D374-E378 WeakPolarHBondContact CB-OE2 3.32Å; D374-E378 PolarHBondContact N-OE2 3.11Å; E376-E378 PolarHBondContact O-N 3.32Å; E378-A380 VanDerWaalsContact C-N 3.3Å; E378-A380 PolarHBondContact O-N 3.05Å; E378-R381 WeakPolarHBondContact O-CB 3.4Å; E378-R381 PolarHBondContact O-N 2.86Å; E378-R381 VanDerWaalsContact O-N 3.1Å; E378-R381 IonicContact OE1-NH2 3.6Å; E378-I382 HydrophobicContact CG-CD1 3.94Å; E378-I382 HydrophobicContact CG-CG1 4.37Å; E378-I382 WeakPolarHBondContact O-CG1 3.3Å; E378-I382 PolarHBondContact O-N 2.71Å
379L95.1Very high93.2Very high3 Ų349.8 Ų49.82%0.01626%0.255CS..Hα-helixtrans-58.5-43.1177.1-174.863.6000111.7Y373 G375 E376 R381 I382 A383 F388 P397 V405 F416Y373-L379 HydrophobicContact CD1-CD1 3.85Å; Y373-L379 HydrophobicContact CD2-CB 3.81Å; Y373-L379 HydrophobicContact CD2-CD1 4.49Å; Y373-L379 HydrophobicContact CE1-CD1 3.98Å; Y373-L379 HydrophobicContact CE1-CD2 4.24Å; Y373-L379 HydrophobicContact CE2-CB 4.04Å; Y373-L379 HydrophobicContact CE2-CD2 4.05Å; Y373-L379 HydrophobicContact CE2-CG 4.47Å; Y373-L379 HydrophobicContact CG-CB 4.14Å; Y373-L379 HydrophobicContact CG-CD1 4.12Å; G375-L379 PolarHBondContact O-N 3.29Å; E376-L379 PolarHBondContact O-N 2.66Å; L379-R381 PolarHBondContact O-N 3.35Å; L379-I382 PolarHBondContact O-N 2.95Å; L379-A383 WeakPolarHBondContact O-CB 3.27Å; L379-A383 PolarHBondContact O-N 3.27Å; L379-F388 HydrophobicContact CD1-CE2 4.07Å; L379-F388 HydrophobicContact CD1-CZ 3.79Å; L379-F388 HydrophobicContact CG-CE2 4.46Å; L379-P397 HydrophobicContact CD2-CB 3.67Å; L379-P397 HydrophobicContact CD2-CG 3.44Å; L379-P397 VanDerWaalsContact CD2-CG 3.44Å; L379-V405 HydrophobicContact CD2-CG2 4.29Å; L379-F416 HydrophobicContact CD1-CB 4.18Å
380A92.4Very high92.7Very high24 Ų2453.6 Ų53.620%0.19827%0.273CS..Hα-helixtrans-60.7-41175.500000112.4E376 E378 A383 K384 E390E376-A380 WeakPolarHBondContact O-CB 3.15Å; E376-A380 PolarHBondContact O-N 2.95Å; E378-A380 VanDerWaalsContact C-N 3.3Å; E378-A380 PolarHBondContact O-N 3.05Å; A380-A383 PolarHBondContact O-N 3.39Å; A380-K384 WeakPolarHBondContact O-CB 3.48Å; A380-K384 PolarHBondContact O-N 3.38Å; A380-E390 HydrophobicContact CB-CB 4.35Å
381R94.1Very high91.9Very high149 Ų14954 Ų5456%0.56228%0.277SS*.Hα-helixtrans-62.6-45.3174.8-73.3-176.5-61.9143.75.1112N377 E378 L379 K384 Q385N377-R381 WeakPolarHBondContact O-CG 3.32Å; N377-R381 PolarHBondContact O-N 3.35Å; E378-R381 WeakPolarHBondContact O-CB 3.4Å; E378-R381 PolarHBondContact O-N 2.86Å; E378-R381 VanDerWaalsContact O-N 3.1Å; E378-R381 IonicContact OE1-NH2 3.6Å; L379-R381 PolarHBondContact O-N 3.35Å; R381-K384 PolarHBondContact O-N 3.43Å; R381-Q385 WeakPolarHBondContact O-CG 3.47Å; R381-Q385 PolarHBondContact O-N 2.89Å
382I94.3Very high91.3Very high2 Ų254.9 Ų54.91%0.0128%0.282CS..Hα-helixtrans-61.5-49176.3-67.1172.3000109.8W355 E378 L379 K384 Q385 I386 F388 F416W355-I382 HydrophobicContact CD2-CD1 4.31Å; W355-I382 HydrophobicContact CD2-CG1 3.89Å; W355-I382 HydrophobicContact CE3-CD1 4.22Å; W355-I382 HydrophobicContact CE3-CG1 3.98Å; W355-I382 HydrophobicContact CE3-CG2 4.06Å; W355-I382 HydrophobicContact CG-CG1 4.43Å; W355-I382 HydrophobicContact CH2-CB 4.32Å; W355-I382 HydrophobicContact CH2-CG1 4.37Å; W355-I382 HydrophobicContact CH2-CG2 3.78Å; W355-I382 HydrophobicContact CZ2-CB 4.49Å; W355-I382 HydrophobicContact CZ2-CG1 4.26Å; W355-I382 HydrophobicContact CZ2-CG2 4.43Å; W355-I382 HydrophobicContact CZ3-CB 4.37Å; W355-I382 HydrophobicContact CZ3-CG1 4.24Å; W355-I382 HydrophobicContact CZ3-CG2 3.57Å; E378-I382 HydrophobicContact CG-CD1 3.94Å; E378-I382 HydrophobicContact CG-CG1 4.37Å; E378-I382 WeakPolarHBondContact O-CG1 3.3Å; E378-I382 PolarHBondContact O-N 2.71Å; L379-I382 PolarHBondContact O-N 2.95Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 3.15Å; I382-Q385 PolarHBondContact O-N 3.47Å; I382-I386 HydrophobicContact CG2-CD1 3.91Å; I382-I386 PolarHBondContact O-N 2.97Å; I382-F388 HydrophobicContact CG2-CE1 3.91Å; I382-F388 HydrophobicContact CG2-CZ 4.06Å; I382-F416 HydrophobicContact CD1-CD1 4.42Å; I382-F416 HydrophobicContact CG2-CD1 3.69Å; I382-F416 HydrophobicContact CG2-CE1 3.39Å; I382-F416 HydrophobicContact CG2-CZ 4.02Å
383A92.9Very high90.7Very high0 Ų055.2 Ų55.20%028%0.281CS..Hα-helixtrans-54.4-46.517900000111.7L379 A380 Q385 I386 G387 F388 E390L379-A383 WeakPolarHBondContact O-CB 3.27Å; L379-A383 PolarHBondContact O-N 3.27Å; A380-A383 PolarHBondContact O-N 3.39Å; A383-Q385 VanDerWaalsContact C-N 3.33Å; A383-Q385 PolarHBondContact O-N 2.91Å; A383-I386 PolarHBondContact O-N 3.3Å; A383-G387 WeakPolarHBondContact O-CA 3.41Å; A383-G387 PolarHBondContact O-N 3.21Å; A383-F388 CarbonylContact C-O 3.55Å; A383-F388 VanDerWaalsContact CA-CZ 3.44Å; A383-F388 HydrophobicContact CB-CD1 4.39Å; A383-F388 HydrophobicContact CB-CD2 3.5Å; A383-F388 VanDerWaalsContact CB-CD2 3.5Å; A383-F388 HydrophobicContact CB-CE1 4.15Å; A383-F388 HydrophobicContact CB-CE2 3.21Å; A383-F388 HydrophobicContact CB-CG 4.08Å; A383-F388 HydrophobicContact CB-CZ 3.56Å; A383-F388 PolarHBondContact O-N 3.13Å; A383-E390 HydrophobicContact CB-CB 4.13Å; A383-E390 HydrophobicContact CB-CG 3.76Å
384K90.4Very high90.2Very high150 Ų15057.5 Ų57.565%0.65230%0.303SS*.Hα-helixtrans-60.8-39.1176.8-169.8173.8-177.6-1800113.1A380 R381 I382 E390A380-K384 WeakPolarHBondContact O-CB 3.48Å; A380-K384 PolarHBondContact O-N 3.38Å; R381-K384 PolarHBondContact O-N 3.43Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 3.15Å; K384-E390 HydrophobicContact CB-CG 4.19Å; K384-E390 WeakPolarHBondContact CB-OE1 3.31Å; K384-E390 WeakPolarHBondContact CG-OE1 3.41Å
385Q91.6Very high89.8Confident131 Ų13153.9 Ų53.961%0.61229%0.292SS*.Hα-helixtrans-75.4-33.8-178.9-70-175.821.100112.7W355 R381 I382 A383W355-Q385 HydrophobicContact CH2-CB 4.45Å; W355-Q385 HydrophobicContact CZ2-CB 4.04Å; R381-Q385 WeakPolarHBondContact O-CG 3.47Å; R381-Q385 PolarHBondContact O-N 2.89Å; I382-Q385 PolarHBondContact O-N 3.47Å; A383-Q385 VanDerWaalsContact C-N 3.33Å; A383-Q385 PolarHBondContact O-N 2.91Å
386I91.1Very high89.8Confident21 Ų2152.7 Ų52.711%0.10828%0.277CS..Hα-helixtrans-87.1-30.5178.9-63.5-177.4000112L214 W355 Y358 I382 A383 F388 I407 F409 F416L214-I386 HydrophobicContact CD2-CG2 3.72Å; W355-I386 HydrophobicContact CH2-CD1 3.78Å; W355-I386 HydrophobicContact CH2-CG1 3.77Å; W355-I386 HydrophobicContact CZ3-CD1 3.77Å; W355-I386 HydrophobicContact CZ3-CG1 4.29Å; Y358-I386 HydrophobicContact CD1-CD1 4.42Å; Y358-I386 HydrophobicContact CE1-CD1 3.67Å; I382-I386 HydrophobicContact CG2-CD1 3.91Å; I382-I386 PolarHBondContact O-N 2.97Å; A383-I386 PolarHBondContact O-N 3.3Å; I386-F388 HydrophobicContact CB-CD1 3.88Å; I386-F388 HydrophobicContact CB-CE1 4.25Å; I386-F388 HydrophobicContact CD1-CD1 4.4Å; I386-F388 HydrophobicContact CD1-CE1 4.07Å; I386-F388 HydrophobicContact CG2-CD1 3.89Å; I386-I407 HydrophobicContact CG2-CD1 3.8Å; I386-F409 HydrophobicContact CG2-CD2 4.08Å; I386-F409 HydrophobicContact CG2-CE2 4.14Å; I386-F409 HydrophobicContact CG2-CG 4.33Å; I386-F409 HydrophobicContact CG2-CZ 4.41Å; I386-F416 HydrophobicContact CD1-CE1 3.95Å; I386-F416 HydrophobicContact CD1-CE2 3.88Å; I386-F416 HydrophobicContact CD1-CZ 3.21Å
387G88.9Confident89.9Confident30 Ų3048 Ų4831%0.30926%0.255SS..THydrogen-bonded Turntrans94.810.6-177.300000115K211 A383K211-G387 PolarHBondContact NZ-O 3.23Å; A383-G387 WeakPolarHBondContact O-CA 3.41Å; A383-G387 PolarHBondContact O-N 3.21Å
388F90Very high89.8Confident4 Ų441.6 Ų41.62%0.01822%0.221CC..SBendtrans-78.2160.8165.773-103.1000110.3N209 L214 L379 I382 A383 I386 E390 V405 I407 F416N209-F388 WeakPolarHBondContact OD1-CB 3.5Å; L214-F388 HydrophobicContact CD1-CB 3.87Å; L379-F388 HydrophobicContact CD1-CE2 4.07Å; L379-F388 HydrophobicContact CD1-CZ 3.79Å; L379-F388 HydrophobicContact CG-CE2 4.46Å; I382-F388 HydrophobicContact CG2-CE1 3.91Å; I382-F388 HydrophobicContact CG2-CZ 4.06Å; A383-F388 CarbonylContact C-O 3.55Å; A383-F388 VanDerWaalsContact CA-CZ 3.44Å; A383-F388 HydrophobicContact CB-CD1 4.39Å; A383-F388 HydrophobicContact CB-CD2 3.5Å; A383-F388 VanDerWaalsContact CB-CD2 3.5Å; A383-F388 HydrophobicContact CB-CE1 4.15Å; A383-F388 HydrophobicContact CB-CE2 3.21Å; A383-F388 HydrophobicContact CB-CG 4.08Å; A383-F388 HydrophobicContact CB-CZ 3.56Å; A383-F388 PolarHBondContact O-N 3.13Å; I386-F388 HydrophobicContact CB-CD1 3.88Å; I386-F388 HydrophobicContact CB-CE1 4.25Å; I386-F388 HydrophobicContact CD1-CD1 4.4Å; I386-F388 HydrophobicContact CD1-CE1 4.07Å; I386-F388 HydrophobicContact CG2-CD1 3.89Å; F388-E390 PolarHBondContact O-N 2.71Å; F388-V405 HydrophobicContact CD2-CG1 4.32Å; F388-V405 HydrophobicContact CE2-CG1 4.21Å; F388-I407 HydrophobicContact CD1-CD1 4.23Å; F388-F416 HydrophobicContact CE1-CD2 4.02Å; F388-F416 AromaticContact CE1-CE2 3.93Å; F388-F416 HydrophobicContact CE1-CE2 3.93Å; F388-F416 HydrophobicContact CE1-CZ 4.36Å; F388-F416 HydrophobicContact CZ-CD2 4.32Å; F388-F416 HydrophobicContact CZ-CG 4.49Å
389M88.4Confident89.8Confident13 Ų1339.5 Ų39.56%0.06421%0.211CC..  trans-67.7129.5-173.1-70-172.8179.800112.2D208 N209 H313 D391 R398D208-M389 HydrophobicContact CB-CE 4.36Å; D208-M389 HydrophobicContact CB-SD 3.83Å; D208-M389 WeakPolarHBondContact O-CE 3.25Å; N209-M389 PolarHBondContact OD1-N 3.4Å; H313-M389 HydrophobicContact CB-CE 3.59Å; M389-D391 VanDerWaalsContact C-N 3.34Å; M389-D391 PolarHBondContact O-N 2.86Å; M389-R398 HydrophobicContact CB-CB 4.47Å; M389-R398 HydrophobicContact CB-CG 4.46Å; M389-R398 WeakPolarHBondContact SD-CD 3.37Å; M389-R398 PolarHBondContact SD-NE 2.85Å
390E87.5Confident89.8Confident80 Ų8039.3 Ų39.337%0.37421%0.21SC..  trans-79.4-14.5-172.2-55.9175.8-140.200113.8A380 A383 K384 F388 L392A380-E390 HydrophobicContact CB-CB 4.35Å; A383-E390 HydrophobicContact CB-CB 4.13Å; A383-E390 HydrophobicContact CB-CG 3.76Å; K384-E390 HydrophobicContact CB-CG 4.19Å; K384-E390 WeakPolarHBondContact CB-OE1 3.31Å; K384-E390 WeakPolarHBondContact CG-OE1 3.41Å; F388-E390 PolarHBondContact O-N 2.71Å; E390-L392 WeakPolarHBondContact O-CD1 3.39Å
391D79.8Confident90Very high33 Ų3338.6 Ų38.618%0.17620%0.202CC..  trans-88.2145.8-167.163-66.5000113.8F234 M389 R398F234-D391 HydrophobicContact CD2-CB 4.5Å; F234-D391 HydrophobicContact CE2-CB 3.88Å; M389-D391 VanDerWaalsContact C-N 3.34Å; M389-D391 PolarHBondContact O-N 2.86Å; D391-R398 WeakPolarHBondContact OD1-CD 3.37Å; D391-R398 IonicContact OD1-CZ 2.79Å; D391-R398 IonicContact OD1-NE 2.89Å; D391-R398 PolarHBondContact OD1-NE 3.24Å; D391-R398 IonicContact OD1-NH2 2.71Å; D391-R398 IonicContact OD2-CZ 3.93Å; D391-R398 IonicContact OD2-NE 3.06Å; D391-R398 PolarHBondContact OD2-NE 2.94Å; D391-R398 IonicContact OD2-NH2 3.74Å; D391-R398 PolarHBondContact OD2-NH2 2.99Å
392L86.1Confident90.1Very high18 Ų1834.1 Ų34.19%0.09419%0.187CC..EExtended strand (participates in β ladder)trans-120.4156.8177-67.880.7000109.3F234 E376 E390 V396 P397F234-L392 WeakPolarHBondContact CE2-O 3.03Å; F234-L392 WeakPolarHBondContact CZ-O 3.32Å; E376-L392 HydrophobicContact CB-CD1 4.36Å; E376-L392 HydrophobicContact CB-CD2 4Å; E376-L392 HydrophobicContact CG-CD2 3.65Å; E390-L392 WeakPolarHBondContact O-CD1 3.39Å; L392-V396 CarbonylContact C-O 3.59Å; L392-V396 VanDerWaalsContact CA-O 3.25Å; L392-V396 WeakPolarHBondContact CA-O 3.42Å; L392-P397 HydrophobicContact CD2-CB 4.42Å; L392-P397 HydrophobicContact CD2-CG 3.86Å; L392-P397 HydrophobicContact CG-CB 4.08Å; L392-P397 HydrophobicContact CG-CG 4.08Å
393K84.3Confident90.1Very high48 Ų4834.3 Ų34.321%0.20919%0.189CC..EExtended strand (participates in β ladder)trans-129.4119.5168.3-175.460.1174.6-170.40109.5F227 D273 R276 G395 V396F227-K393 HydrophobicContact CD2-CB 4.44Å; F227-K393 HydrophobicContact CE2-CB 3.67Å; F227-K393 HydrophobicContact CZ-CB 4.36Å; D273-K393 VanDerWaalsContact O-CE 3.31Å; D273-K393 WeakPolarHBondContact O-CE 3.44Å; R276-K393 HydrophobicContact CB-CB 4.33Å; R276-K393 HydrophobicContact CB-CG 3.54Å; R276-K393 HydrophobicContact CG-CG 4.43Å; K393-G395 VanDerWaalsContact C-N 3.26Å; K393-G395 PolarHBondContact O-N 3.11Å; K393-V396 PolarHBondContact N-O 3.08Å; K393-V396 WeakPolarHBondContact O-CB 3.5Å; K393-V396 PolarHBondContact O-N 3Å
394A84.3Confident90.3Very high61 Ų6134.5 Ų34.550%0.50419%0.19SC..THydrogen-bonded Turntrans48.748.1-175.300000112.4P278 V396P278-A394 HydrophobicContact CG-CB 3.73Å; A394-V396 VanDerWaalsContact C-N 3.28Å; A394-V396 PolarHBondContact O-N 2.87Å
395G86.4Confident90.6Very high36 Ų3627.4 Ų27.437%0.37116%0.159SC..THydrogen-bonded Turntrans76.43.5-17900000116.1E376 K393 P397E376-G395 WeakPolarHBondContact OE1-CA 3.36Å; K393-G395 VanDerWaalsContact C-N 3.26Å; K393-G395 PolarHBondContact O-N 3.11Å; G395-P397 WeakPolarHBondContact O-CD 3.48Å
396V90.9Very high90.9Very high16 Ų1621.4 Ų21.410%0.09713%0.132CC..EExtended strand (participates in β ladder)trans-101.7114.1178.8-174.50000110.4D226 F227 L392 K393 A394D226-V396 HydrophobicContact CB-CG1 3.75Å; F227-V396 HydrophobicContact CB-CG1 3.98Å; F227-V396 HydrophobicContact CD2-CB 4.43Å; F227-V396 HydrophobicContact CD2-CG1 4.17Å; F227-V396 WeakPolarHBondContact CD2-O 3.24Å; L392-V396 CarbonylContact C-O 3.59Å; L392-V396 VanDerWaalsContact CA-O 3.25Å; L392-V396 WeakPolarHBondContact CA-O 3.42Å; K393-V396 PolarHBondContact N-O 3.08Å; K393-V396 WeakPolarHBondContact O-CB 3.5Å; K393-V396 PolarHBondContact O-N 3Å; A394-V396 VanDerWaalsContact C-N 3.28Å; A394-V396 PolarHBondContact O-N 2.87Å
397P92.9Very high91.1Very high4 Ų420.5 Ų20.53%0.02613%0.127CC..EExtended strand (participates in β ladder)trans-70.7153.3172.6-11.425.6000112.3L379 L392 G395 A400 V405L379-P397 HydrophobicContact CD2-CB 3.67Å; L379-P397 HydrophobicContact CD2-CG 3.44Å; L379-P397 VanDerWaalsContact CD2-CG 3.44Å; L392-P397 HydrophobicContact CD2-CB 4.42Å; L392-P397 HydrophobicContact CD2-CG 3.86Å; L392-P397 HydrophobicContact CG-CB 4.08Å; L392-P397 HydrophobicContact CG-CG 4.08Å; G395-P397 WeakPolarHBondContact O-CD 3.48Å; P397-A400 HydrophobicContact CB-CB 3.98Å; P397-A400 HydrophobicContact CG-CB 4.1Å; P397-A400 WeakPolarHBondContact O-CB 3.29Å; P397-A400 PolarHBondContact O-N 2.78Å; P397-V405 HydrophobicContact CB-CG2 3.64Å; P397-V405 HydrophobicContact CG-CG2 4.18Å
398R90.7Very high91.5Very high3 Ų321 Ų211%0.01112%0.121CC..THydrogen-bonded Turntrans-57.8142.8174.7-70.5-168-176.3-88-3.1112.3D208 F227 G230 M389 D391 A400D208-R398 HydrophobicContact CB-CB 4.17Å; D208-R398 HydrophobicContact CB-CG 4.49Å; D208-R398 IonicContact OD1-NH1 2.76Å; D208-R398 PolarHBondContact OD1-NH1 3Å; D208-R398 IonicContact OD2-CZ 3.1Å; D208-R398 IonicContact OD2-NH1 2.81Å; D208-R398 PolarHBondContact OD2-NH1 3.21Å; F227-R398 HydrophobicContact CD1-CG 4.2Å; F227-R398 HydrophobicContact CD2-CG 4.3Å; F227-R398 HydrophobicContact CE1-CG 3.92Å; F227-R398 VanDerWaalsContact CE1-NH1 3.35Å; F227-R398 HydrophobicContact CE2-CG 3.98Å; F227-R398 HydrophobicContact CG-CG 4.39Å; F227-R398 HydrophobicContact CZ-CG 3.78Å; G230-R398 PolarHBondContact O-NH1 3.44Å; M389-R398 HydrophobicContact CB-CB 4.47Å; M389-R398 HydrophobicContact CB-CG 4.46Å; M389-R398 WeakPolarHBondContact SD-CD 3.37Å; M389-R398 PolarHBondContact SD-NE 2.85Å; D391-R398 WeakPolarHBondContact OD1-CD 3.37Å; D391-R398 IonicContact OD1-CZ 2.79Å; D391-R398 IonicContact OD1-NE 2.89Å; D391-R398 PolarHBondContact OD1-NE 3.24Å; D391-R398 IonicContact OD1-NH2 2.71Å; D391-R398 IonicContact OD2-CZ 3.93Å; D391-R398 IonicContact OD2-NE 3.06Å; D391-R398 PolarHBondContact OD2-NE 2.94Å; D391-R398 IonicContact OD2-NH2 3.74Å; D391-R398 PolarHBondContact OD2-NH2 2.99Å; R398-A400 PolarHBondContact O-N 3.06Å
399T93.8Very high91.7Very high3 Ų322.5 Ų22.52%0.01813%0.127CC..THydrogen-bonded Turntrans60.9-1.1-179.170.40000115.6N207 D208 N209 T225 R288N207-T399 VanDerWaalsContact OD1-CG2 3.28Å; N207-T399 WeakPolarHBondContact OD1-CG2 3.31Å; D208-T399 HydrophobicContact CB-CG2 3.82Å; N209-T399 HydrophobicContact CB-CG2 3.94Å; N209-T399 WeakPolarHBondContact ND2-CG2 3.48Å; N209-T399 PolarHBondContact ND2-OG1 3.43Å; T225-T399 WeakPolarHBondContact OG1-CA 3.02Å; R288-T399 PolarHBondContact NE-O 2.95Å; R288-T399 PolarHBondContact NH2-O 3.5Å
400A95.6Very high91.9Very high0 Ų027.3 Ų27.30%015%0.145CC..  trans-74.3151.1-175.100000111.5T225 D226 P397 R398 V404 V405T225-A400 CarbonylContact C-O 3.54Å; T225-A400 VanDerWaalsContact CA-O 3.25Å; T225-A400 WeakPolarHBondContact CA-O 3.48Å; T225-A400 PolarHBondContact OG1-N 2.84Å; T225-A400 PolarHBondContact OG1-O 3.35Å; D226-A400 PolarHBondContact N-O 3.4Å; P397-A400 HydrophobicContact CB-CB 3.98Å; P397-A400 HydrophobicContact CG-CB 4.1Å; P397-A400 WeakPolarHBondContact O-CB 3.29Å; P397-A400 PolarHBondContact O-N 2.78Å; R398-A400 PolarHBondContact O-N 3.06Å; A400-V404 VanDerWaalsContact CA-O 3.25Å; A400-V404 WeakPolarHBondContact CA-O 3.28Å; A400-V405 HydrophobicContact CB-CG2 3.96Å
401Y96.7Very high92.1Very high9 Ų924.6 Ų24.64%0.03514%0.138CC..BIsolated β-bridgetrans-129.7125.8167.7-172.3-108.6000108.3R224 D226 A285 Y339 D340 F343 G403 V404R224-Y401 HydrophobicContact CB-CD2 3.66Å; R224-Y401 HydrophobicContact CB-CE2 3.6Å; R224-Y401 HydrophobicContact CB-CG 4.3Å; D226-Y401 VanDerWaalsContact OD1-CD2 3.29Å; D226-Y401 WeakPolarHBondContact OD1-CD2 3.35Å; A285-Y401 HydrophobicContact CB-CD2 4.41Å; A285-Y401 HydrophobicContact CB-CE2 3.97Å; Y339-Y401 AromaticContact CD1-CD1 4Å; Y339-Y401 HydrophobicContact CD1-CD1 4Å; Y339-Y401 AromaticContact CD1-CE1 3.54Å; Y339-Y401 HydrophobicContact CD1-CE1 3.54Å; Y339-Y401 AromaticContact CD1-CZ 3.88Å; Y339-Y401 AromaticContact CE1-CD1 3.54Å; Y339-Y401 HydrophobicContact CE1-CD1 3.54Å; Y339-Y401 HydrophobicContact CE1-CD2 4.48Å; Y339-Y401 AromaticContact CE1-CE1 3.6Å; Y339-Y401 HydrophobicContact CE1-CE1 3.6Å; Y339-Y401 AromaticContact CE1-CG 3.99Å; Y339-Y401 HydrophobicContact CE1-CG 3.99Å; D340-Y401 VanDerWaalsContact OD1-CE1 3.26Å; D340-Y401 WeakPolarHBondContact OD1-CE1 3.31Å; D340-Y401 VanDerWaalsContact OD1-CZ 3.29Å; D340-Y401 PolarHBondContact OD1-OH 3.42Å; F343-Y401 AromaticContact CD1-CD1 3.79Å; F343-Y401 HydrophobicContact CD1-CD1 3.79Å; F343-Y401 HydrophobicContact CD1-CE1 4.43Å; F343-Y401 AromaticContact CE1-CD1 3.96Å; F343-Y401 HydrophobicContact CE1-CD1 3.96Å; F343-Y401 HydrophobicContact CG-CD1 4.22Å; Y401-G403 PolarHBondContact O-N 2.81Å; Y401-V404 PolarHBondContact N-O 3.07Å; Y401-V404 VanDerWaalsContact N-O 3.11Å; Y401-V404 WeakPolarHBondContact O-CB 3.49Å; Y401-V404 PolarHBondContact O-N 3.38Å
402K94.5Very high92.9Very high55 Ų5523.2 Ų23.224%0.23913%0.131CC..THydrogen-bonded Turntrans52.934.2-169.4-60.6-174.5160-1460113.3D226 D340 V404 R424D226-K402 WeakPolarHBondContact OD2-CA 3.31Å; D226-K402 PolarHBondContact OD2-N 3.5Å; D340-K402 IonicContact OD2-NZ 3.97Å; K402-V404 PolarHBondContact O-N 3.49Å; K402-R424 HydrophobicContact CB-CB 4.43Å; K402-R424 PolarHBondContact NZ-O 2.92Å; K402-R424 PolarHBondContact NZ-OXT 2.86Å
403G94.2Very high93.4Very high5 Ų523.5 Ų23.55%0.05213%0.131CC..THydrogen-bonded Turntrans78.1-7.9-175.100000115Y373 Y401 V405Y373-G403 PolarHBondContact OH-O 3.28Å; Y401-G403 PolarHBondContact O-N 2.81Å; G403-V405 PolarHBondContact O-N 2.93Å
404V97.3Very high94.1Very high4 Ų421.2 Ų21.22%0.02412%0.121CC..BIsolated β-bridgetrans-83115179.5-177.80000110.3F343 V347 A400 Y401 K402 Y415 F416 A417 W421F343-V404 HydrophobicContact CE1-CB 4.04Å; F343-V404 HydrophobicContact CE1-CG1 4.45Å; F343-V404 HydrophobicContact CE1-CG2 4.31Å; F343-V404 HydrophobicContact CZ-CB 3.84Å; F343-V404 HydrophobicContact CZ-CG1 3.94Å; V347-V404 HydrophobicContact CG2-CG1 4.19Å; A400-V404 VanDerWaalsContact CA-O 3.25Å; A400-V404 WeakPolarHBondContact CA-O 3.28Å; Y401-V404 PolarHBondContact N-O 3.07Å; Y401-V404 VanDerWaalsContact N-O 3.11Å; Y401-V404 WeakPolarHBondContact O-CB 3.49Å; Y401-V404 PolarHBondContact O-N 3.38Å; K402-V404 PolarHBondContact O-N 3.49Å; V404-Y415 HydrophobicContact CG1-CD1 4.12Å; V404-Y415 HydrophobicContact CG1-CG 4.45Å; V404-F416 CarbonylContact C-O 3.47Å; V404-F416 VanDerWaalsContact CA-O 3.27Å; V404-F416 WeakPolarHBondContact CA-O 3.37Å; V404-A417 HydrophobicContact CG1-CB 4.32Å; V404-A417 HydrophobicContact CG2-CB 3.89Å; V404-W421 HydrophobicContact CG2-CB 4.35Å
405V97Very high94.7Very high1 Ų119 Ų191%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-82123.2172.6179.60000108.6L379 F388 P397 A400 G403 I407 F416L379-V405 HydrophobicContact CD2-CG2 4.29Å; F388-V405 HydrophobicContact CD2-CG1 4.32Å; F388-V405 HydrophobicContact CE2-CG1 4.21Å; P397-V405 HydrophobicContact CB-CG2 3.64Å; P397-V405 HydrophobicContact CG-CG2 4.18Å; A400-V405 HydrophobicContact CB-CG2 3.96Å; G403-V405 PolarHBondContact O-N 2.93Å; V405-I407 HydrophobicContact CG1-CG2 4.14Å; V405-F416 HydrophobicContact CB-CB 4.23Å; V405-F416 PolarHBondContact N-O 2.76Å; V405-F416 PolarHBondContact O-N 3.22Å
406T97.7Very high95.3Very high6 Ų617.3 Ų17.34%0.0378%0.082CC..EExtended strand (participates in β ladder)trans-108.7123.5179.8-57.10000109.6Y223 Y415Y223-T406 HydrophobicContact CE1-CG2 4.2Å; T406-Y415 HydrophobicContact CG2-CD1 3.98Å; T406-Y415 HydrophobicContact CG2-CE1 3.71Å; T406-Y415 WeakPolarHBondContact OG1-CD1 3.3Å
407I96.7Very high95.6Very high1 Ų116.6 Ų16.61%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-133.9167174.867.5170.3000110.5L214 I386 F388 V405 F409 R413 T414 F416L214-I407 HydrophobicContact CD2-CD1 4.12Å; I386-I407 HydrophobicContact CG2-CD1 3.8Å; F388-I407 HydrophobicContact CD1-CD1 4.23Å; V405-I407 HydrophobicContact CG1-CG2 4.14Å; I407-F409 HydrophobicContact CD1-CB 3.9Å; I407-F409 HydrophobicContact CG1-CB 4.38Å; I407-R413 WeakPolarHBondContact O-CD 3.3Å; I407-T414 PolarHBondContact N-O 2.96Å; I407-T414 PolarHBondContact O-N 3.37Å; I407-F416 HydrophobicContact CD1-CD2 4.5Å; I407-F416 HydrophobicContact CD1-CE2 3.63Å; I407-F416 HydrophobicContact CD1-CZ 4.47Å; I407-F416 HydrophobicContact CG1-CD2 4.5Å; I407-F416 HydrophobicContact CG1-CE2 3.92Å
408F96.4Very high95.7Very high40 Ų4016.6 Ų16.618%0.1758%0.078CC..EExtended strand (participates in β ladder)trans-118.8109168.6-170.5-97.2000109G213 L214 I215 E216 G411 T412 R413G213-F408 CarbonylContact C-O 3.59Å; L214-F408 CarbonylContact C-O 3.46Å; L214-F408 WeakPolarHBondContact CA-O 3.31Å; L214-F408 PolarHBondContact O-N 3.41Å; I215-F408 PolarHBondContact N-O 3.38Å; E216-F408 HydrophobicContact CB-CB 4.04Å; E216-F408 HydrophobicContact CB-CD1 3.99Å; E216-F408 HydrophobicContact CB-CD2 3.92Å; E216-F408 HydrophobicContact CB-CE1 4.39Å; E216-F408 HydrophobicContact CB-CE2 4.33Å; E216-F408 HydrophobicContact CB-CG 3.73Å; E216-F408 HydrophobicContact CG-CD1 4.48Å; E216-F408 HydrophobicContact CG-CD2 4.22Å; E216-F408 HydrophobicContact CG-CE1 4.38Å; E216-F408 HydrophobicContact CG-CE2 4.13Å; E216-F408 HydrophobicContact CG-CG 4.38Å; E216-F408 HydrophobicContact CG-CZ 4.21Å; F408-G411 WeakPolarHBondContact CZ-O 3.37Å; F408-T412 WeakPolarHBondContact CA-O 3.09Å; F408-R413 HydrophobicContact CD2-CB 4.3Å
409F94.2Very high95.8Very high36 Ų3620.7 Ų20.716%0.15810%0.1CC..EExtended strand (participates in β ladder)trans-131.1134.9-172.5-175.9-110.1000109.9G213 L214 Y358 I386 I407 G411 T412G213-F409 WeakPolarHBondContact O-CD2 3.44Å; L214-F409 HydrophobicContact CD2-CD2 4Å; Y358-F409 HydrophobicContact CE1-CD1 4.22Å; Y358-F409 WeakPolarHBondContact OH-CD1 3.24Å; I386-F409 HydrophobicContact CG2-CD2 4.08Å; I386-F409 HydrophobicContact CG2-CE2 4.14Å; I386-F409 HydrophobicContact CG2-CG 4.33Å; I386-F409 HydrophobicContact CG2-CZ 4.41Å; I407-F409 HydrophobicContact CD1-CB 3.9Å; I407-F409 HydrophobicContact CG1-CB 4.38Å; F409-G411 PolarHBondContact O-N 2.69Å; F409-G411 VanDerWaalsContact O-N 3.16Å; F409-T412 PolarHBondContact N-O 2.82Å; F409-T412 PolarHBondContact O-N 2.95Å
410R91.9Very high95.6Very high114 Ų11424.3 Ų24.343%0.4312%0.119SC..THydrogen-bonded Turntrans51.435.7-178.1-62.4176.6179.9161.72.6113.9N361 R364 T412N361-R410 PolarHBondContact O-NH1 2.97Å; R364-R410 WeakPolarHBondContact CB-O 3.43Å; R364-R410 WeakPolarHBondContact CG-O 3.25Å; R410-T412 VanDerWaalsContact C-N 3.3Å; R410-T412 PolarHBondContact O-N 2.97Å
411G92.8Very high95.2Very high23 Ų2324.9 Ų24.924%0.23712%0.122CC..THydrogen-bonded Turntrans79.48.3179.300000115R364 F408 F409R364-G411 PolarHBondContact NE-O 2.71Å; R364-G411 PolarHBondContact NH2-O 3.01Å; F408-G411 WeakPolarHBondContact CZ-O 3.37Å; F409-G411 PolarHBondContact O-N 2.69Å; F409-G411 VanDerWaalsContact O-N 3.16Å
412T95.9Very high94.6Very high5 Ų529.9 Ų29.93%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-122.7135.2-178.8-59.80000110.4R364 F365 S367 V369 F408 F409 R410 T414R364-T412 WeakPolarHBondContact CG-OG1 3.22Å; F365-T412 HydrophobicContact CB-CG2 3.85Å; F365-T412 HydrophobicContact CD2-CG2 4.32Å; F365-T412 PolarHBondContact N-OG1 3.28Å; F365-T412 PolarHBondContact O-OG1 2.91Å; S367-T412 WeakPolarHBondContact O-CG2 3.42Å; V369-T412 HydrophobicContact CG1-CG2 4.36Å; V369-T412 HydrophobicContact CG2-CG2 4.03Å; F408-T412 WeakPolarHBondContact CA-O 3.09Å; F409-T412 PolarHBondContact N-O 2.82Å; F409-T412 PolarHBondContact O-N 2.95Å; R410-T412 VanDerWaalsContact C-N 3.3Å; R410-T412 PolarHBondContact O-N 2.97Å; T412-T414 PolarHBondContact O-N 3.45Å
413R97.7Very high93.8Very high23 Ų2336.3 Ų36.39%0.08717%0.173CC..EExtended strand (participates in β ladder)trans-71.8119.5167.9-177.263.659.7-170.63.1109.2E216 Y223 E290 P368 V369 I407 F408 Y415E216-R413 VanDerWaalsContact CB-NH2 3.31Å; E216-R413 IonicContact OE2-CZ 3.71Å; E216-R413 IonicContact OE2-NH2 2.7Å; E216-R413 PolarHBondContact OE2-NH2 2.72Å; Y223-R413 PolarHBondContact OH-NH1 3.4Å; Y223-R413 PolarHBondContact OH-NH2 2.91Å; E290-R413 IonicContact OE1-CZ 3.25Å; E290-R413 IonicContact OE1-NH1 3.71Å; E290-R413 PolarHBondContact OE1-NH1 2.77Å; E290-R413 IonicContact OE1-NH2 3.03Å; E290-R413 PolarHBondContact OE1-NH2 3.1Å; E290-R413 IonicContact OE2-NH1 2.64Å; P368-R413 WeakPolarHBondContact CA-O 3.37Å; P368-R413 HydrophobicContact CB-CB 4.18Å; P368-R413 HydrophobicContact CG-CB 4.34Å; V369-R413 PolarHBondContact N-O 3.36Å; I407-R413 WeakPolarHBondContact O-CD 3.3Å; F408-R413 HydrophobicContact CD2-CB 4.3Å; R413-Y415 HydrophobicContact CG-CE1 4.33Å; R413-Y415 HydrophobicContact CG-CE2 3.98Å
414T97.8Very high92.6Very high0 Ų043.1 Ų43.10%020%0.197CC..EExtended strand (participates in β ladder)trans-118.4133.5-177-58.40000110.8Y358 V369 V371 I407 T412 F416Y358-T414 HydrophobicContact CD2-CG2 4.49Å; Y358-T414 HydrophobicContact CE2-CG2 3.62Å; Y358-T414 WeakPolarHBondContact CE2-OG1 3.31Å; Y358-T414 PolarHBondContact OH-OG1 2.94Å; V369-T414 HydrophobicContact CG2-CG2 4Å; V369-T414 WeakPolarHBondContact O-CA 3.22Å; V371-T414 HydrophobicContact CG2-CG2 4.37Å; I407-T414 PolarHBondContact N-O 2.96Å; I407-T414 PolarHBondContact O-N 3.37Å; T412-T414 PolarHBondContact O-N 3.45Å; T414-F416 HydrophobicContact CG2-CD2 4.08Å; T414-F416 HydrophobicContact CG2-CE1 4.32Å; T414-F416 HydrophobicContact CG2-CE2 3.45Å; T414-F416 VanDerWaalsContact CG2-CE2 3.45Å; T414-F416 HydrophobicContact CG2-CZ 3.57Å
415Y98Very high92.4Very high16 Ų1645.1 Ų45.16%0.06321%0.206CC..EExtended strand (participates in β ladder)trans-111.3113.2174.4-55.8-77.8000110F343 V347 A350 P368 V369 R370 V371 V404 T406 R413F343-Y415 HydrophobicContact CE2-CE1 4.36Å; V347-Y415 HydrophobicContact CG2-CD1 3.73Å; V347-Y415 HydrophobicContact CG2-CE1 4.03Å; V347-Y415 HydrophobicContact CG2-CG 4.01Å; A350-Y415 HydrophobicContact CB-CD2 3.74Å; A350-Y415 HydrophobicContact CB-CE2 4Å; P368-Y415 HydrophobicContact CB-CE2 4.11Å; V369-Y415 PolarHBondContact O-N 2.98Å; R370-Y415 CarbonylContact C-O 3.56Å; R370-Y415 VanDerWaalsContact CA-O 3.3Å; R370-Y415 WeakPolarHBondContact CA-O 3.35Å; V371-Y415 PolarHBondContact N-O 3.13Å; V404-Y415 HydrophobicContact CG1-CD1 4.12Å; V404-Y415 HydrophobicContact CG1-CG 4.45Å; T406-Y415 HydrophobicContact CG2-CD1 3.98Å; T406-Y415 HydrophobicContact CG2-CE1 3.71Å; T406-Y415 WeakPolarHBondContact OG1-CD1 3.3Å; R413-Y415 HydrophobicContact CG-CE1 4.33Å; R413-Y415 HydrophobicContact CG-CE2 3.98Å
416F97.6Very high92.1Very high0 Ų047.4 Ų47.40%022%0.216CC..EExtended strand (participates in β ladder)trans-88.7110.7167.5-63.6-84.7000108.2W355 Y358 V371 Y373 L379 I382 I386 F388 V404 V405 I407 T414W355-F416 HydrophobicContact CE3-CE1 4.38Å; W355-F416 HydrophobicContact CZ3-CE1 4.03Å; W355-F416 HydrophobicContact CZ3-CZ 4.48Å; Y358-F416 HydrophobicContact CE1-CZ 4.02Å; V371-F416 HydrophobicContact CB-CD1 3.69Å; V371-F416 HydrophobicContact CB-CE1 3.7Å; V371-F416 HydrophobicContact CG1-CD1 3.99Å; V371-F416 HydrophobicContact CG1-CE1 3.95Å; V371-F416 HydrophobicContact CG2-CD1 4.39Å; V371-F416 HydrophobicContact CG2-CE1 3.93Å; V371-F416 CarbonylContact O-C 3.55Å; V371-F416 WeakPolarHBondContact O-CA 3.31Å; Y373-F416 HydrophobicContact CD1-CB 4.1Å; Y373-F416 HydrophobicContact CE1-CB 4.39Å; Y373-F416 WeakPolarHBondContact CE1-O 3.46Å; L379-F416 HydrophobicContact CD1-CB 4.18Å; I382-F416 HydrophobicContact CD1-CD1 4.42Å; I382-F416 HydrophobicContact CG2-CD1 3.69Å; I382-F416 HydrophobicContact CG2-CE1 3.39Å; I382-F416 HydrophobicContact CG2-CZ 4.02Å; I386-F416 HydrophobicContact CD1-CE1 3.95Å; I386-F416 HydrophobicContact CD1-CE2 3.88Å; I386-F416 HydrophobicContact CD1-CZ 3.21Å; F388-F416 HydrophobicContact CE1-CD2 4.02Å; F388-F416 AromaticContact CE1-CE2 3.93Å; F388-F416 HydrophobicContact CE1-CE2 3.93Å; F388-F416 HydrophobicContact CE1-CZ 4.36Å; F388-F416 HydrophobicContact CZ-CD2 4.32Å; F388-F416 HydrophobicContact CZ-CG 4.49Å; V404-F416 CarbonylContact C-O 3.47Å; V404-F416 VanDerWaalsContact CA-O 3.27Å; V404-F416 WeakPolarHBondContact CA-O 3.37Å; V405-F416 HydrophobicContact CB-CB 4.23Å; V405-F416 PolarHBondContact N-O 2.76Å; V405-F416 PolarHBondContact O-N 3.22Å; I407-F416 HydrophobicContact CD1-CD2 4.5Å; I407-F416 HydrophobicContact CD1-CE2 3.63Å; I407-F416 HydrophobicContact CD1-CZ 4.47Å; I407-F416 HydrophobicContact CG1-CD2 4.5Å; I407-F416 HydrophobicContact CG1-CE2 3.92Å; T414-F416 HydrophobicContact CG2-CD2 4.08Å; T414-F416 HydrophobicContact CG2-CE1 4.32Å; T414-F416 HydrophobicContact CG2-CE2 3.45Å; T414-F416 VanDerWaalsContact CG2-CE2 3.45Å; T414-F416 HydrophobicContact CG2-CZ 3.57Å
417A97.3Very high91.8Very high0 Ų049.7 Ų49.70%023%0.226CC..EExtended strand (participates in β ladder)trans-117.9138.8-172.900000111.1R370 V371 L372 Y373 V404 W421R370-A417 HydrophobicContact CG-CB 4.13Å; V371-A417 PolarHBondContact O-N 3.19Å; L372-A417 CarbonylContact C-O 3.51Å; L372-A417 VanDerWaalsContact CA-O 3.25Å; L372-A417 WeakPolarHBondContact CA-O 3.29Å; L372-A417 HydrophobicContact CD2-CB 4.12Å; Y373-A417 VanDerWaalsContact CD1-O 3.31Å; Y373-A417 WeakPolarHBondContact CD1-O 3.3Å; Y373-A417 PolarHBondContact N-O 2.7Å; V404-A417 HydrophobicContact CG1-CB 4.32Å; V404-A417 HydrophobicContact CG2-CB 3.89Å; A417-W421 HydrophobicContact CB-CB 3.95Å; A417-W421 HydrophobicContact CB-CD2 4.3Å; A417-W421 HydrophobicContact CB-CG 3.79Å
418P95.8Very high91.5Very high5 Ų552.5 Ų52.53%0.03224%0.239CC..EExtended strand (participates in β ladder)trans-65.4151.4174.726.5-33.1000110.1Y373 N420 W421Y373-P418 HydrophobicContact CE1-CB 4.29Å; Y373-P418 VanDerWaalsContact CE1-N 3.25Å; Y373-P418 HydrophobicContact CE2-CB 3.96Å; Y373-P418 WeakPolarHBondContact O-CA 3.32Å; P418-N420 PolarHBondContact O-N 3.29Å; P418-W421 HydrophobicContact CG-CB 3.93Å; P418-W421 WeakPolarHBondContact O-CB 3.17Å; P418-W421 PolarHBondContact O-N 3.03Å
419N93.7Very high91.2Very high88 Ų8853.3 Ų53.347%0.47124%0.243SC..THydrogen-bonded Turntrans-48.5-33.1179.3-76.1-31.4000114.7Y373 D374Y373-N419 PolarHBondContact O-N 3.21Å; Y373-N419 VanDerWaalsContact O-N 3.1Å; D374-N419 WeakPolarHBondContact CB-ND2 3.49Å; D374-N419 PolarHBondContact OD1-ND2 3.05Å
420N88.7Confident91Very high79 Ų7954.5 Ų54.542%0.42225%0.249SC..THydrogen-bonded Turntrans-98.621-179.871.7-17.5000114.9P418 E422 K423 R424P418-N420 PolarHBondContact O-N 3.29Å; N420-E422 VanDerWaalsContact C-N 3.28Å; N420-E422 PolarHBondContact O-N 2.97Å; N420-K423 PolarHBondContact O-N 3.17Å; N420-K423 VanDerWaalsContact O-N 3.13Å; N420-R424 PolarHBondContact OD1-NE 3.3Å; N420-R424 PolarHBondContact OD1-NH2 3.37Å
421W87.2Confident90.9Very high13 Ų1350.2 Ų50.25%0.04924%0.236CC..G310 helixtrans-57.1-31.8-171.767-80.3000115.3L344 V347 K348 R370 V404 A417 P418 K423 R424L344-W421 HydrophobicContact CD1-CE3 3.92Å; L344-W421 HydrophobicContact CD1-CZ3 3.52Å; V347-W421 HydrophobicContact CB-CE3 4.41Å; V347-W421 HydrophobicContact CB-CH2 4.21Å; V347-W421 HydrophobicContact CB-CZ3 3.76Å; V347-W421 HydrophobicContact CG1-CD2 4.25Å; V347-W421 HydrophobicContact CG1-CE3 3.7Å; V347-W421 HydrophobicContact CG1-CH2 3.7Å; V347-W421 HydrophobicContact CG1-CZ2 4.32Å; V347-W421 HydrophobicContact CG1-CZ3 3.37Å; K348-W421 HydrophobicContact CB-CH2 4.2Å; K348-W421 HydrophobicContact CG-CH2 3.37Å; K348-W421 HydrophobicContact CG-CZ2 4.38Å; K348-W421 HydrophobicContact CG-CZ3 3.95Å; R370-W421 VanDerWaalsContact CZ-CZ2 3.42Å; R370-W421 VanDerWaalsContact NH1-CZ2 3.34Å; V404-W421 HydrophobicContact CG2-CB 4.35Å; A417-W421 HydrophobicContact CB-CB 3.95Å; A417-W421 HydrophobicContact CB-CD2 4.3Å; A417-W421 HydrophobicContact CB-CG 3.79Å; P418-W421 HydrophobicContact CG-CB 3.93Å; P418-W421 WeakPolarHBondContact O-CB 3.17Å; P418-W421 PolarHBondContact O-N 3.03Å; W421-K423 PolarHBondContact O-N 3.27Å; W421-R424 PolarHBondContact O-N 3.42Å
422E84.3Confident90.8Very high114 Ų11452.3 Ų52.353%0.53324%0.236SC..G310 helixtrans-69.1-19.5-179.3-61.1-168.3148.100113.8N420N420-E422 VanDerWaalsContact C-N 3.28Å; N420-E422 PolarHBondContact O-N 2.97Å
423K78.2Confident90.4Very high190 Ų19056.3 Ų56.383%0.82625%0.253SS*.G310 helixtrans-92.11.4-178.1-60.1-176.7-179.6-179.50113N420 W421N420-K423 PolarHBondContact O-N 3.17Å; N420-K423 VanDerWaalsContact O-N 3.13Å; W421-K423 PolarHBondContact O-N 3.27Å
424R68.4Low89.7Confident147 Ų14759.3 Ų59.356%0.55527%0.268SS*.  trans-102.30-171.2-66.6-172.4-177.9-134.13.6114.5K402 N420 W421K402-R424 HydrophobicContact CB-CB 4.43Å; K402-R424 PolarHBondContact NZ-O 2.92Å; K402-R424 PolarHBondContact NZ-OXT 2.86Å; N420-R424 PolarHBondContact OD1-NE 3.3Å; N420-R424 PolarHBondContact OD1-NH2 3.37Å; W421-R424 PolarHBondContact O-N 3.42Å

Retrieved 424 of 424 residues in 284.4 ms (Link to these results)

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