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Cytochrome P450 3A

Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.

AlphaFold DB , UniProt , Accession A0A087WV96, Species HUMAN (Homo sapiens, Human), Gene CYP3A7-CYP3A51P, Length 503 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low71.8Confident225 Ų225122.8 Ų122.8100%1.10867%0.669SS**  095.10-81.7-178.1-177.600106L3M1-L3 PolarHBondContact O-N 2.98Å; M1-L3 VanDerWaalsContact O-N 3.16Å
2D48.5Very low73.3Confident163 Ų163122.5 Ų122.587%0.87265%0.651SS**  trans-73.4106.8-177.1-63.2-38.4000108.7I4D2-I4 PolarHBondContact O-N 3.47Å; D2-I4 VanDerWaalsContact O-N 3.15Å
3L59.3Low74.8Confident170 Ų170122 Ų12289%0.8965%0.647SS**SBendtrans-71.11-178.4-103.5117.8000113.5M1M1-L3 PolarHBondContact O-N 2.98Å; M1-L3 VanDerWaalsContact O-N 3.16Å
4I63.3Low76Confident116 Ų116122.1 Ų122.160%0.59565%0.648SS**SBendtrans-122.8115.7-176.6-54.4179000107.9D2 W12D2-I4 PolarHBondContact O-N 3.47Å; D2-I4 VanDerWaalsContact O-N 3.15Å; I4-W12 HydrophobicContact CG2-CH2 3.82Å; I4-W12 HydrophobicContact CG2-CZ2 3.49Å; I4-W12 VanDerWaalsContact CG2-CZ2 3.49Å
5P67.1Low77.1Confident80 Ų80119.1 Ų119.152%0.51963%0.631SS.*  trans-61.7142177.523-30.2000110.7L7P5-L7 HydrophobicContact CB-CD2 4.47Å; P5-L7 HydrophobicContact CB-CG 4.07Å; P5-L7 HydrophobicContact CG-CD1 3.92Å; P5-L7 HydrophobicContact CG-CG 3.92Å; P5-L7 PolarHBondContact O-N 2.97Å
6N74Confident78.1Confident181 Ų181114.6 Ų114.697%0.96862%0.616SS**  trans-66.268.5169-89.5-23.4000110.2
7L78.4Confident79.1Confident67 Ų67112.1 Ų112.135%0.35161%0.606SS.*  trans-79.2142.8172.7-63.8171.7000109.3P5 T11 W12 L15P5-L7 HydrophobicContact CB-CD2 4.47Å; P5-L7 HydrophobicContact CB-CG 4.07Å; P5-L7 HydrophobicContact CG-CD1 3.92Å; P5-L7 HydrophobicContact CG-CG 3.92Å; P5-L7 PolarHBondContact O-N 2.97Å; L7-T11 HydrophobicContact CB-CG2 4.23Å; L7-T11 HydrophobicContact CD1-CG2 4.2Å; L7-T11 HydrophobicContact CD2-CG2 4.13Å; L7-T11 HydrophobicContact CG-CG2 4.42Å; L7-W12 HydrophobicContact CB-CZ2 4.41Å; L7-W12 HydrophobicContact CD1-CH2 4.4Å; L7-W12 HydrophobicContact CD1-CZ2 4.05Å; L7-W12 PolarHBondContact O-NE1 3.13Å; L7-L15 HydrophobicContact CD1-CD1 4.08Å
8A87.3Confident79.8Confident51 Ų51109.2 Ų109.242%0.42160%0.595SS.*  trans-62153.9175.100000111E10 T11 W12A8-E10 VanDerWaalsContact CB-OE2 3.27Å; A8-E10 WeakPolarHBondContact CB-OE2 3.39Å; A8-E10 PolarHBondContact O-N 3.36Å; A8-T11 WeakPolarHBondContact O-CA 3.33Å; A8-T11 WeakPolarHBondContact O-CB 3.36Å; A8-T11 PolarHBondContact O-N 3.46Å; A8-W12 PolarHBondContact O-N 3.19Å; A8-W12 VanDerWaalsContact O-N 3.14Å
9V87.9Confident80.5Confident116 Ų116109.5 Ų109.570%0.70360%0.595SS**Hα-helixtrans-58.1-35.9-177.6177.30000111.1T11 W12 L13V9-T11 VanDerWaalsContact C-N 3.29Å; V9-T11 PolarHBondContact O-N 2.88Å; V9-W12 PolarHBondContact O-N 3.44Å; V9-L13 WeakPolarHBondContact O-CB 3.09Å; V9-L13 PolarHBondContact O-N 2.96Å
10E91.1Very high81.2Confident127 Ų127109 Ų10959%0.59359%0.591SS**Hα-helixtrans-61.6-38.2175.5-58.477.7-172.300111.4A8 L13 L14A8-E10 VanDerWaalsContact CB-OE2 3.27Å; A8-E10 WeakPolarHBondContact CB-OE2 3.39Å; A8-E10 PolarHBondContact O-N 3.36Å; E10-L13 PolarHBondContact O-N 2.66Å; E10-L14 WeakPolarHBondContact O-CB 3.41Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.4Å; E10-L14 PolarHBondContact O-N 3.09Å
11T90.1Very high81.8Confident55 Ų55108.9 Ų108.934%0.33759%0.59SS.*Hα-helixtrans-70.3-41.3177.8-53.70000111.1L7 A8 V9 L13 L14 L15L7-T11 HydrophobicContact CB-CG2 4.23Å; L7-T11 HydrophobicContact CD1-CG2 4.2Å; L7-T11 HydrophobicContact CD2-CG2 4.13Å; L7-T11 HydrophobicContact CG-CG2 4.42Å; A8-T11 WeakPolarHBondContact O-CA 3.33Å; A8-T11 WeakPolarHBondContact O-CB 3.36Å; A8-T11 PolarHBondContact O-N 3.46Å; V9-T11 VanDerWaalsContact C-N 3.29Å; V9-T11 PolarHBondContact O-N 2.88Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 2.87Å; T11-L14 PolarHBondContact O-N 3.47Å; T11-L15 HydrophobicContact CG2-CD1 4.2Å; T11-L15 WeakPolarHBondContact O-CB 3.31Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.4Å; T11-L15 PolarHBondContact O-N 3.03Å
12W89.8Confident84Confident119 Ų119102 Ų10245%0.45156%0.557SS.*Hα-helixtrans-62.3-41173.3-75.7112.8000112.4I4 L7 A8 V9 L15 A16I4-W12 HydrophobicContact CG2-CH2 3.82Å; I4-W12 HydrophobicContact CG2-CZ2 3.49Å; I4-W12 VanDerWaalsContact CG2-CZ2 3.49Å; L7-W12 HydrophobicContact CB-CZ2 4.41Å; L7-W12 HydrophobicContact CD1-CH2 4.4Å; L7-W12 HydrophobicContact CD1-CZ2 4.05Å; L7-W12 PolarHBondContact O-NE1 3.13Å; A8-W12 PolarHBondContact O-N 3.19Å; A8-W12 VanDerWaalsContact O-N 3.14Å; V9-W12 PolarHBondContact O-N 3.44Å; W12-L15 HydrophobicContact CE3-CD1 4.38Å; W12-L15 PolarHBondContact O-N 3.4Å; W12-A16 WeakPolarHBondContact O-CB 3.48Å; W12-A16 PolarHBondContact O-N 2.73Å
13L92.2Very high86.1Confident116 Ų116100.9 Ų100.961%0.60754%0.541SS*.Hα-helixtrans-63.1-47.3176.1-17077.2000111.4V9 E10 T11 L15 A16 V17V9-L13 WeakPolarHBondContact O-CB 3.09Å; V9-L13 PolarHBondContact O-N 2.96Å; E10-L13 PolarHBondContact O-N 2.66Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 2.87Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.61Å; L13-A16 PolarHBondContact O-N 3.35Å; L13-V17 WeakPolarHBondContact O-CG2 3.5Å; L13-V17 PolarHBondContact O-N 3.38Å
14L92.3Very high87.7Confident124 Ų12497.3 Ų97.365%0.64952%0.523SS*.Hα-helixtrans-61-41.7177.2-75.8169.1000112E10 T11 S18E10-L14 WeakPolarHBondContact O-CB 3.41Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.4Å; E10-L14 PolarHBondContact O-N 3.09Å; T11-L14 PolarHBondContact O-N 3.47Å; L14-S18 WeakPolarHBondContact O-CB 3.26Å; L14-S18 PolarHBondContact O-N 3.46Å
15L92.1Very high89.1Confident77 Ų7795 Ų9540%0.40351%0.507SS..Hα-helixtrans-63.1-46.2175.6-75.1169.4000111.6L7 T11 W12 L13 S18 L19L7-L15 HydrophobicContact CD1-CD1 4.08Å; T11-L15 HydrophobicContact CG2-CD1 4.2Å; T11-L15 WeakPolarHBondContact O-CB 3.31Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.4Å; T11-L15 PolarHBondContact O-N 3.03Å; W12-L15 HydrophobicContact CE3-CD1 4.38Å; W12-L15 PolarHBondContact O-N 3.4Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.61Å; L15-S18 PolarHBondContact O-N 3.46Å; L15-L19 WeakPolarHBondContact O-CB 3.19Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 2.65Å
16A92.9Very high90.2Very high47 Ų4791.2 Ų91.239%0.38848%0.482SS..Hα-helixtrans-62-47178.200000111.8W12 L13 S18 L19 I20W12-A16 WeakPolarHBondContact O-CB 3.48Å; W12-A16 PolarHBondContact O-N 2.73Å; L13-A16 PolarHBondContact O-N 3.35Å; A16-S18 VanDerWaalsContact C-N 3.35Å; A16-S18 PolarHBondContact O-N 3.22Å; A16-L19 PolarHBondContact O-N 3Å; A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.48Å; A16-I20 PolarHBondContact O-N 2.96Å
17V94.5Very high91.1Very high72 Ų7284.2 Ų84.244%0.43645%0.446SS..Hα-helixtrans-61.6-43.6176.7172.50000110.9L13 L19 I20 L21L13-V17 WeakPolarHBondContact O-CG2 3.5Å; L13-V17 PolarHBondContact O-N 3.38Å; V17-L19 PolarHBondContact O-N 3.07Å; V17-I20 PolarHBondContact O-N 3.48Å; V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 HydrophobicContact CG1-CG 4.35Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 3.48Å
18S92.5Very high91.8Very high59 Ų5991 Ų9141%0.41347%0.467SS..Hα-helixtrans-60.4-45.7176.8-176.70000112L14 L15 A16 I20 L21 L22L14-S18 WeakPolarHBondContact O-CB 3.26Å; L14-S18 PolarHBondContact O-N 3.46Å; L15-S18 PolarHBondContact O-N 3.46Å; A16-S18 VanDerWaalsContact C-N 3.35Å; A16-S18 PolarHBondContact O-N 3.22Å; S18-I20 VanDerWaalsContact C-N 3.35Å; S18-I20 PolarHBondContact O-N 3.22Å; S18-L21 PolarHBondContact O-N 3.38Å; S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 VanDerWaalsContact O-CG 3.26Å; S18-L22 WeakPolarHBondContact O-CG 3.32Å; S18-L22 PolarHBondContact O-N 2.99Å
19L93.1Very high92.1Very high116 Ų11690.6 Ų90.661%0.60746%0.46SS*.Hα-helixtrans-63-39.2176.5-72.2172.2000112.4L15 A16 V17 L22 Y23L15-L19 WeakPolarHBondContact O-CB 3.19Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 2.65Å; A16-L19 PolarHBondContact O-N 3Å; V17-L19 PolarHBondContact O-N 3.07Å; L19-L22 PolarHBondContact O-N 3.01Å; L19-Y23 WeakPolarHBondContact O-CB 3.38Å; L19-Y23 PolarHBondContact O-N 2.7Å
20I93.9Very high92.4Very high99 Ų9986 Ų8651%0.50843%0.431SS..Hα-helixtrans-64.1-48.6175-68.9165.5000110.3A16 V17 S18 L22 Y23 L24A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.48Å; A16-I20 PolarHBondContact O-N 2.96Å; V17-I20 PolarHBondContact O-N 3.48Å; S18-I20 VanDerWaalsContact C-N 3.35Å; S18-I20 PolarHBondContact O-N 3.22Å; I20-L22 VanDerWaalsContact C-N 3.31Å; I20-L22 PolarHBondContact O-N 3.45Å; I20-Y23 PolarHBondContact O-N 3.44Å; I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.22Å; I20-L24 VanDerWaalsContact O-CG 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.37Å; I20-L24 PolarHBondContact O-N 3.32Å
21L93.6Very high92.6Very high107 Ų10782 Ų8256%0.5642%0.424SS*.Hα-helixtrans-61.4-40.3178.1-70.9174.9000111.8V17 S18 L24 Y25V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 HydrophobicContact CG1-CG 4.35Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 3.48Å; S18-L21 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 2.87Å; L21-Y25 WeakPolarHBondContact O-CB 3.37Å; L21-Y25 PolarHBondContact O-N 3.25Å
22L91.3Very high92.9Very high80 Ų8081.6 Ų81.642%0.41942%0.419SS..Hα-helixtrans-62-45.2174.1-77.8170.9000111.6S18 L19 I20 Y25 G26 F46S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 VanDerWaalsContact O-CG 3.26Å; S18-L22 WeakPolarHBondContact O-CG 3.32Å; S18-L22 PolarHBondContact O-N 2.99Å; L19-L22 PolarHBondContact O-N 3.01Å; I20-L22 VanDerWaalsContact C-N 3.31Å; I20-L22 PolarHBondContact O-N 3.45Å; L22-Y25 PolarHBondContact O-N 3.12Å; L22-G26 PolarHBondContact O-N 2.87Å; L22-F46 HydrophobicContact CB-CZ 4.15Å; L22-F46 HydrophobicContact CD2-CZ 4.29Å; L22-F46 WeakPolarHBondContact O-CZ 3.37Å
23Y92.5Very high93.3Very high139 Ų13976.3 Ų76.355%0.54540%0.399SS..Hα-helixtrans-63.9-44.6176.6178.2-98000112.1L19 I20 Y25 G26 T27 P45L19-Y23 WeakPolarHBondContact O-CB 3.38Å; L19-Y23 PolarHBondContact O-N 2.7Å; I20-Y23 PolarHBondContact O-N 3.44Å; Y23-Y25 VanDerWaalsContact C-N 3.35Å; Y23-Y25 PolarHBondContact O-N 3.04Å; Y23-G26 PolarHBondContact O-N 3.05Å; Y23-T27 HydrophobicContact CD2-CG2 4.33Å; Y23-T27 HydrophobicContact CE1-CG2 4.38Å; Y23-T27 HydrophobicContact CE2-CG2 3.89Å; Y23-T27 PolarHBondContact O-N 2.85Å; Y23-T27 PolarHBondContact O-OG1 2.78Å; Y23-P45 HydrophobicContact CD2-CG 4.28Å; Y23-P45 HydrophobicContact CE2-CG 3.92Å
24L92.6Very high93.5Very high96 Ų9679.7 Ų79.750%0.50341%0.409SS..Hα-helixtrans-62.1-42176.8-71.2175.9000111.5I20 L21 T27 R28I20-L24 HydrophobicContact CG2-CD1 3.89Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.22Å; I20-L24 VanDerWaalsContact O-CG 3.29Å; I20-L24 WeakPolarHBondContact O-CG 3.37Å; I20-L24 PolarHBondContact O-N 3.32Å; L21-L24 PolarHBondContact O-N 2.87Å; L24-T27 PolarHBondContact O-N 3Å; L24-R28 WeakPolarHBondContact O-CA 3.28Å; L24-R28 WeakPolarHBondContact O-CB 3.46Å; L24-R28 PolarHBondContact O-N 3.36Å
25Y92.3Very high93.7Very high67 Ų6782.7 Ų82.726%0.26342%0.417SS..Hα-helixtrans-61.8-49.6172.1175.7-94.5000111.1L21 L22 Y23 T27 R28 F46 Q78 V225 F226 F228L21-Y25 WeakPolarHBondContact O-CB 3.37Å; L21-Y25 PolarHBondContact O-N 3.25Å; L22-Y25 PolarHBondContact O-N 3.12Å; Y23-Y25 VanDerWaalsContact C-N 3.35Å; Y23-Y25 PolarHBondContact O-N 3.04Å; Y25-T27 PolarHBondContact O-N 3.15Å; Y25-T27 VanDerWaalsContact O-N 3.13Å; Y25-R28 PolarHBondContact O-N 3.09Å; Y25-F46 HydrophobicContact CD1-CD1 4.08Å; Y25-F46 AromaticContact CD1-CE1 3.63Å; Y25-F46 HydrophobicContact CD1-CE1 3.63Å; Y25-F46 HydrophobicContact CE1-CD1 4.25Å; Y25-F46 HydrophobicContact CE1-CE1 4.12Å; Y25-Q78 PolarHBondContact O-NE2 3.13Å; Y25-V225 PolarHBondContact OH-O 3.37Å; Y25-F226 AromaticContact CE1-CD1 3.86Å; Y25-F226 HydrophobicContact CE1-CD1 3.86Å; Y25-F226 AromaticContact CE1-CE1 3.89Å; Y25-F226 HydrophobicContact CE1-CE1 3.89Å; Y25-F228 HydrophobicContact CE2-CE1 4.48Å; Y25-F228 WeakPolarHBondContact OH-CE1 3.21Å
26G90.3Very high93.9Very high0 Ų081.8 Ų81.80%041%0.412CS..Hα-helixtrans-59.6-23.4-179.100000114.1L22 Y23 H30 F46 Q78L22-G26 PolarHBondContact O-N 2.87Å; Y23-G26 PolarHBondContact O-N 3.05Å; G26-H30 PolarHBondContact O-CE1 2.84Å; G26-H30 PolarHBondContact O-ND1 2.93Å; G26-F46 PolarHBondContact O-N 2.93Å; G26-Q78 PolarHBondContact O-NE2 3.48Å
27T93.3Very high94Very high35 Ų3582.8 Ų82.822%0.21543%0.427CS..Hα-helixtrans-117.54.3-176.257.10000114.2Y23 L24 Y25 T29 H30 P45Y23-T27 HydrophobicContact CD2-CG2 4.33Å; Y23-T27 HydrophobicContact CE1-CG2 4.38Å; Y23-T27 HydrophobicContact CE2-CG2 3.89Å; Y23-T27 PolarHBondContact O-N 2.85Å; Y23-T27 PolarHBondContact O-OG1 2.78Å; L24-T27 PolarHBondContact O-N 3Å; Y25-T27 PolarHBondContact O-N 3.15Å; Y25-T27 VanDerWaalsContact O-N 3.13Å; T27-T29 VanDerWaalsContact C-N 3.29Å; T27-T29 PolarHBondContact O-N 3Å; T27-T29 VanDerWaalsContact O-N 3.09Å; T27-H30 WeakPolarHBondContact O-CB 3.22Å; T27-H30 PolarHBondContact O-N 2.95Å; T27-P45 HydrophobicContact CG2-CB 3.96Å; T27-P45 HydrophobicContact CG2-CG 3.94Å
28R92.7Very high94.1Very high208 Ų20880.2 Ų80.279%0.78541%0.41SS*.THydrogen-bonded Turntrans-51.9-40.2-169.9-176.7178.9173.2178.2-0.6114.4L24 Y25L24-R28 WeakPolarHBondContact O-CA 3.28Å; L24-R28 WeakPolarHBondContact O-CB 3.46Å; L24-R28 PolarHBondContact O-N 3.36Å; Y25-R28 PolarHBondContact O-N 3.09Å
29T92.4Very high94.4Very high43 Ų4380.3 Ų80.326%0.26441%0.41SS..THydrogen-bonded Turntrans-97.5-13.4-177.163.80000113.6T27 G31 L32 Y75 Q78T27-T29 VanDerWaalsContact C-N 3.29Å; T27-T29 PolarHBondContact O-N 3Å; T27-T29 VanDerWaalsContact O-N 3.09Å; T29-G31 PolarHBondContact O-N 2.86Å; T29-G31 VanDerWaalsContact O-N 3.1Å; T29-L32 WeakPolarHBondContact O-CB 3.29Å; T29-L32 PolarHBondContact O-N 2.87Å; T29-L32 VanDerWaalsContact O-N 3.11Å; T29-Y75 WeakPolarHBondContact O-CE1 3.32Å; T29-Y75 PolarHBondContact O-OH 3.36Å; T29-Q78 WeakPolarHBondContact CB-O 3.5Å; T29-Q78 PolarHBondContact OG1-O 3.44Å; T29-Q78 PolarHBondContact OG1-OE1 3.12Å
30H95Very high94.6Very high21 Ų2176.1 Ų76.110%0.09739%0.394CS..THydrogen-bonded Turntrans-69.8-11.6-166.8-70.3174.2000114.9G26 T27 P43 L44 Y75 C77G26-H30 PolarHBondContact O-CE1 2.84Å; G26-H30 PolarHBondContact O-ND1 2.93Å; T27-H30 WeakPolarHBondContact O-CB 3.22Å; T27-H30 PolarHBondContact O-N 2.95Å; H30-P43 HydrophobicContact CB-CB 4.26Å; H30-P43 HydrophobicContact CB-CG 3.51Å; H30-L44 PolarHBondContact CE1-O 2.85Å; H30-Y75 AromaticContact CD2-CD1 3.65Å; H30-Y75 AromaticContact CD2-CG 3.7Å; H30-Y75 PolarHBondContact O-OH 2.91Å; H30-Y75 VanDerWaalsContact O-OH 3.13Å; H30-C77 PolarHBondContact NE2-O 2.99Å
31G94.9Very high94.7Very high43 Ų4372.5 Ų72.544%0.44338%0.377SS..THydrogen-bonded Turntrans-84.2-10.3173.800000115T29 K34 K35T29-G31 PolarHBondContact O-N 2.86Å; T29-G31 VanDerWaalsContact O-N 3.1Å; G31-K34 PolarHBondContact O-N 2.55Å; G31-K35 PolarHBondContact O-N 3.04Å
32L97.2Very high94.8Very high46 Ų4673.7 Ų73.724%0.24139%0.389CS..Hα-helixtrans-56.1-56.5-170.8-177.864.8000113.7T29 K34 K35 L36 Y75 P80 P389 V392T29-L32 WeakPolarHBondContact O-CB 3.29Å; T29-L32 PolarHBondContact O-N 2.87Å; T29-L32 VanDerWaalsContact O-N 3.11Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.39Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 2.88Å; L32-K35 VanDerWaalsContact O-N 3.17Å; L32-L36 HydrophobicContact CD1-CD1 4.15Å; L32-L36 HydrophobicContact CG-CD1 4.15Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 2.96Å; L32-L36 VanDerWaalsContact O-N 3.09Å; L32-Y75 HydrophobicContact CB-CE1 4.49Å; L32-Y75 WeakPolarHBondContact CB-OH 3.48Å; L32-Y75 PolarHBondContact N-OH 2.72Å; L32-P80 HydrophobicContact CD2-CB 3.79Å; L32-P80 HydrophobicContact CD2-CG 3.94Å; L32-P389 HydrophobicContact CD1-CG 4.09Å; L32-P389 HydrophobicContact CD2-CG 4.45Å; L32-V392 HydrophobicContact CD2-CG2 3.72Å
33F97.5Very high95.1Very high7 Ų771.1 Ų71.13%0.03138%0.377CS..Hα-helixtrans-68.6-33.1-175.8-65.6-57.9000112.3K35 L36 G37 I38 G73 I74 Y75 P80 M81 L82 V392F33-K35 VanDerWaalsContact C-N 3.33Å; F33-K35 PolarHBondContact O-N 2.88Å; F33-L36 CarbonylContact O-C 3.58Å; F33-L36 PolarHBondContact O-N 2.87Å; F33-G37 PolarHBondContact O-N 3.09Å; F33-G37 VanDerWaalsContact O-N 3.07Å; F33-I38 HydrophobicContact CB-CB 4.09Å; F33-I38 HydrophobicContact CB-CG2 4.37Å; F33-I38 HydrophobicContact CD1-CB 4.02Å; F33-I38 HydrophobicContact CD1-CD1 3.97Å; F33-I38 HydrophobicContact CD1-CG2 3.95Å; F33-I38 HydrophobicContact CE1-CD1 4.47Å; F33-I38 HydrophobicContact CG-CB 4.46Å; F33-I38 HydrophobicContact CG-CG2 4.4Å; F33-I38 PolarHBondContact O-N 3.48Å; F33-G73 VanDerWaalsContact CD2-CA 3.47Å; F33-I74 WeakPolarHBondContact CE2-O 3.49Å; F33-Y75 HydrophobicContact CD2-CD2 4.33Å; F33-Y75 HydrophobicContact CD2-CE1 4.1Å; F33-Y75 AromaticContact CD2-CE2 3.53Å; F33-Y75 HydrophobicContact CD2-CE2 3.53Å; F33-Y75 AromaticContact CD2-CZ 3.39Å; F33-Y75 WeakPolarHBondContact CD2-OH 3.4Å; F33-Y75 HydrophobicContact CE2-CE1 4.1Å; F33-Y75 HydrophobicContact CE2-CE2 4.12Å; F33-Y75 AromaticContact CE2-CZ 3.85Å; F33-Y75 PolarHBondContact N-OH 3.46Å; F33-P80 HydrophobicContact CE2-CB 3.85Å; F33-P80 HydrophobicContact CZ-CB 3.82Å; F33-M81 VanDerWaalsContact CZ-O 3.29Å; F33-M81 WeakPolarHBondContact CZ-O 3.39Å; F33-L82 HydrophobicContact CE1-CB 4.14Å; F33-L82 HydrophobicContact CE1-CD1 4.1Å; F33-L82 HydrophobicContact CZ-CB 4.36Å; F33-V392 HydrophobicContact CZ-CG1 4.43Å
34K96.2Very high95.2Very high188 Ų18868.5 Ų68.582%0.81737%0.372SS*.Hα-helixtrans-60.3-42.7172-172.3179.9-179.8-1780111.4G31 L32 L36 G37G31-K34 PolarHBondContact O-N 2.55Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.39Å; K34-L36 VanDerWaalsContact C-N 3.32Å; K34-L36 PolarHBondContact O-N 3.21Å; K34-G37 PolarHBondContact O-N 3.05Å
35K96.7Very high95.3Very high187 Ų18766.5 Ų66.581%0.81337%0.365SS*.Hα-helixtrans-65.3-35.1176.6-174.4-178.6177.2-176.40112.4G31 L32 F33 G37G31-K35 PolarHBondContact O-N 3.04Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 2.88Å; L32-K35 VanDerWaalsContact O-N 3.17Å; F33-K35 VanDerWaalsContact C-N 3.33Å; F33-K35 PolarHBondContact O-N 2.88Å; K35-G37 VanDerWaalsContact C-N 3.29Å
36L95.8Very high95.3Very high57 Ų5765.7 Ų65.730%0.29836%0.363SS..THydrogen-bonded Turntrans-83.4-0.7178.5-63.7175.9000113.7L32 F33 K34 I38 F387 P389L32-L36 HydrophobicContact CD1-CD1 4.15Å; L32-L36 HydrophobicContact CG-CD1 4.15Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 2.96Å; L32-L36 VanDerWaalsContact O-N 3.09Å; F33-L36 CarbonylContact O-C 3.58Å; F33-L36 PolarHBondContact O-N 2.87Å; K34-L36 VanDerWaalsContact C-N 3.32Å; K34-L36 PolarHBondContact O-N 3.21Å; L36-I38 HydrophobicContact CB-CD1 3.83Å; L36-I38 HydrophobicContact CB-CG1 4.01Å; L36-I38 HydrophobicContact CD1-CD1 4.06Å; L36-I38 PolarHBondContact O-N 2.89Å; L36-F387 HydrophobicContact CD2-CD1 3.91Å; L36-P389 HydrophobicContact CD1-CG 3.8Å
37G96.3Very high95.4Very high68 Ų6867.9 Ų67.970%0.70137%0.374SS*.THydrogen-bonded Turntrans67.218.8-175.200000114F33 K34 K35F33-G37 PolarHBondContact O-N 3.09Å; F33-G37 VanDerWaalsContact O-N 3.07Å; K34-G37 PolarHBondContact O-N 3.05Å; K35-G37 VanDerWaalsContact C-N 3.29Å
38I97.1Very high95.5Very high19 Ų1966.2 Ų66.210%0.09736%0.364CS..  trans-89.2125.7-179.5-65.4169.6000108.8F33 L36 V71 L82F33-I38 HydrophobicContact CB-CB 4.09Å; F33-I38 HydrophobicContact CB-CG2 4.37Å; F33-I38 HydrophobicContact CD1-CB 4.02Å; F33-I38 HydrophobicContact CD1-CD1 3.97Å; F33-I38 HydrophobicContact CD1-CG2 3.95Å; F33-I38 HydrophobicContact CE1-CD1 4.47Å; F33-I38 HydrophobicContact CG-CB 4.46Å; F33-I38 HydrophobicContact CG-CG2 4.4Å; F33-I38 PolarHBondContact O-N 3.48Å; L36-I38 HydrophobicContact CB-CD1 3.83Å; L36-I38 HydrophobicContact CB-CG1 4.01Å; L36-I38 HydrophobicContact CD1-CD1 4.06Å; L36-I38 PolarHBondContact O-N 2.89Å; I38-V71 HydrophobicContact CG2-CG1 4.29Å; I38-L82 HydrophobicContact CD1-CD1 3.94Å; I38-L82 HydrophobicContact CG2-CD1 3.95Å
39P97.8Very high95.6Very high61 Ų6156.6 Ų56.640%0.39633%0.328SS..  trans-72.4156.2-17931.6-36.3000111.6Y68 V71 W72 G73P39-Y68 HydrophobicContact CB-CD1 3.79Å; P39-Y68 HydrophobicContact CB-CE1 4.47Å; P39-Y68 HydrophobicContact CB-CG 4.35Å; P39-V71 WeakPolarHBondContact CG-O 3.47Å; P39-W72 CarbonylContact O-C 3.58Å; P39-W72 WeakPolarHBondContact O-CA 3.41Å; P39-W72 WeakPolarHBondContact O-CB 3.48Å; P39-G73 PolarHBondContact O-N 3.11Å
40G97Very high95.5Very high27 Ų2754.7 Ų54.728%0.27832%0.317SS..  trans176.9165.1178.700000112.7Y68 G73G40-Y68 VanDerWaalsContact C-CZ 3.43Å; G40-Y68 PolarHBondContact O-OH 3.4Å; G40-G73 WeakPolarHBondContact CA-O 2.99Å
41P96.5Very high95.2Very high24 Ų2456.7 Ų56.716%0.15633%0.328CS..PPolyproline II helixtrans-67.4136.2173.227.6-29.1000110.9P43 N49 F60 Y68 G73 I74P41-P43 WeakPolarHBondContact O-CD 3.25Å; P41-N49 PolarHBondContact O-ND2 3.08Å; P41-F60 HydrophobicContact CG-CE2 4.23Å; P41-F60 HydrophobicContact CG-CZ 3.86Å; P41-Y68 WeakPolarHBondContact CA-OH 3.22Å; P41-Y68 HydrophobicContact CG-CE2 4.48Å; P41-G73 WeakPolarHBondContact CD-O 3.45Å; P41-I74 HydrophobicContact CG-CG2 4.02Å
42T96Very high94.9Very high131 Ų13156.8 Ų56.880%0.80432%0.322SS*.PPolyproline II helixtrans-58.7124178.3-49.60000110.5N49T42-N49 PolarHBondContact O-ND2 3.47Å
43P96.6Very high94.4Very high26 Ų2655 Ų5517%0.16931%0.312CS..PPolyproline II helixtrans-74.4147.1178.129.8-34.8000111.8H30 P41 Y75H30-P43 HydrophobicContact CB-CB 4.26Å; H30-P43 HydrophobicContact CB-CG 3.51Å; P41-P43 WeakPolarHBondContact O-CD 3.25Å; P43-Y75 HydrophobicContact CB-CD2 3.75Å; P43-Y75 HydrophobicContact CB-CE2 4.48Å; P43-Y75 HydrophobicContact CB-CG 4.25Å; P43-Y75 HydrophobicContact CG-CD2 3.73Å; P43-Y75 HydrophobicContact CG-CE2 3.96Å
44L95.3Very high93.8Very high85 Ų8562.3 Ų62.345%0.44534%0.34SS..BIsolated β-bridgetrans-84.5148167.3-63175000110.1H30 F46 G48 L51H30-L44 PolarHBondContact CE1-O 2.85Å; L44-F46 PolarHBondContact O-N 3.42Å; L44-G48 PolarHBondContact N-O 3.21Å; L44-G48 WeakPolarHBondContact O-CA 3.33Å; L44-G48 PolarHBondContact O-N 2.9Å; L44-L51 HydrophobicContact CD1-CD1 3.56Å; L44-L51 HydrophobicContact CD1-CG 4.25Å
45P94.1Very high93.2Very high53 Ų5359 Ų5934%0.34433%0.325SS..THydrogen-bonded Turntrans-51.4137.6172.1-25.834.5000111.6Y23 T27 L47Y23-P45 HydrophobicContact CD2-CG 4.28Å; Y23-P45 HydrophobicContact CE2-CG 3.92Å; T27-P45 HydrophobicContact CG2-CB 3.96Å; T27-P45 HydrophobicContact CG2-CG 3.94Å; P45-L47 PolarHBondContact O-N 3.02Å
46F92.2Very high92.7Very high51 Ų5150.2 Ų50.222%0.22429%0.288CS..THydrogen-bonded Turntrans65.8-56.2-175-57.6-92.9000115L22 Y25 G26 L44 G48 C77 V225 F226L22-F46 HydrophobicContact CB-CZ 4.15Å; L22-F46 HydrophobicContact CD2-CZ 4.29Å; L22-F46 WeakPolarHBondContact O-CZ 3.37Å; Y25-F46 HydrophobicContact CD1-CD1 4.08Å; Y25-F46 AromaticContact CD1-CE1 3.63Å; Y25-F46 HydrophobicContact CD1-CE1 3.63Å; Y25-F46 HydrophobicContact CE1-CD1 4.25Å; Y25-F46 HydrophobicContact CE1-CE1 4.12Å; G26-F46 PolarHBondContact O-N 2.93Å; L44-F46 PolarHBondContact O-N 3.42Å; F46-G48 VanDerWaalsContact C-N 3.3Å; F46-G48 PolarHBondContact O-N 2.54Å; F46-C77 CarbonylContact O-C 3.29Å; F46-C77 WeakPolarHBondContact O-CA 3.31Å; F46-C77 WeakPolarHBondContact O-CB 3.34Å; F46-V225 HydrophobicContact CB-CG1 3.95Å; F46-V225 HydrophobicContact CD1-CG1 3.77Å; F46-V225 HydrophobicContact CG-CG1 4.35Å; F46-F226 HydrophobicContact CE1-CE1 4.46Å
47L93.5Very high92.4Very high45 Ų4549 Ų4924%0.23628%0.279CS..THydrogen-bonded Turntrans-77.7-16-171.2-60-179.2000113.1P45 N49 A50 L51 C77 L221 V225P45-L47 PolarHBondContact O-N 3.02Å; L47-N49 PolarHBondContact O-N 2.93Å; L47-A50 WeakPolarHBondContact O-CB 3.15Å; L47-A50 PolarHBondContact O-N 3.33Å; L47-L51 HydrophobicContact CD1-CD1 4.05Å; L47-L51 HydrophobicContact CD1-CD2 3.9Å; L47-L51 HydrophobicContact CD1-CG 3.84Å; L47-C77 WeakPolarHBondContact O-CA 3.47Å; L47-C77 PolarHBondContact O-N 3.25Å; L47-L221 HydrophobicContact CD2-CD1 4.03Å; L47-L221 HydrophobicContact CD2-CD2 3.93Å; L47-L221 HydrophobicContact CD2-CG 4.21Å; L47-V225 HydrophobicContact CD2-CG2 4.18Å
48G95.2Very high92Very high1 Ų146.6 Ų46.61%0.0125%0.249CC..BIsolated β-bridgetrans57.3-124.2-17300000109.8L44 F46L44-G48 PolarHBondContact N-O 3.21Å; L44-G48 WeakPolarHBondContact O-CA 3.33Å; L44-G48 PolarHBondContact O-N 2.9Å; F46-G48 VanDerWaalsContact C-N 3.3Å; F46-G48 PolarHBondContact O-N 2.54Å
49N94.7Very high91.8Very high6 Ų647.8 Ų47.83%0.03226%0.257CS..THydrogen-bonded Turntrans-99.49.3175.2-52.6111.8000113.4P41 T42 L47 L51 S52 F60 I74 Y75P41-N49 PolarHBondContact O-ND2 3.08Å; T42-N49 PolarHBondContact O-ND2 3.47Å; L47-N49 PolarHBondContact O-N 2.93Å; N49-L51 VanDerWaalsContact C-N 3.26Å; N49-L51 PolarHBondContact O-N 2.99Å; N49-L51 VanDerWaalsContact O-N 3.14Å; N49-S52 WeakPolarHBondContact O-CB 3.38Å; N49-S52 PolarHBondContact O-N 3.31Å; N49-S52 PolarHBondContact O-OG 3.2Å; N49-F60 HydrophobicContact CB-CZ 4.12Å; N49-I74 WeakPolarHBondContact OD1-CA 3.34Å; N49-Y75 PolarHBondContact N-O 3.42Å; N49-Y75 PolarHBondContact OD1-N 3.48Å
50A89.4Confident91.6Very high3 Ų345.3 Ų45.33%0.02524%0.24CC..G310 helixtrans-57.9-32.2-171.500000114.4L47 S52 F53 L221L47-A50 WeakPolarHBondContact O-CB 3.15Å; L47-A50 PolarHBondContact O-N 3.33Å; A50-S52 PolarHBondContact O-N 2.91Å; A50-F53 HydrophobicContact CB-CD2 4.21Å; A50-F53 HydrophobicContact CB-CE2 4.33Å; A50-F53 WeakPolarHBondContact O-CB 3.25Å; A50-F53 WeakPolarHBondContact O-CD2 3.3Å; A50-F53 PolarHBondContact O-N 2.86Å; A50-L221 HydrophobicContact CB-CD1 4.48Å
51L88.9Confident91.5Very high62 Ų6244 Ų4433%0.32523%0.227SC..G310 helixtrans-61.8-26.6175.5-66.7-171.3000113L44 L47 N49 F53 R54L44-L51 HydrophobicContact CD1-CD1 3.56Å; L44-L51 HydrophobicContact CD1-CG 4.25Å; L47-L51 HydrophobicContact CD1-CD1 4.05Å; L47-L51 HydrophobicContact CD1-CD2 3.9Å; L47-L51 HydrophobicContact CD1-CG 3.84Å; N49-L51 VanDerWaalsContact C-N 3.26Å; N49-L51 PolarHBondContact O-N 2.99Å; N49-L51 VanDerWaalsContact O-N 3.14Å; L51-F53 PolarHBondContact O-N 3.03Å; L51-R54 VanDerWaalsContact O-CB 3.3Å; L51-R54 WeakPolarHBondContact O-CB 3.45Å; L51-R54 VanDerWaalsContact O-CG 3.27Å; L51-R54 WeakPolarHBondContact O-CG 3.32Å; L51-R54 PolarHBondContact O-N 3.37Å
52S90.1Very high91.5Very high45 Ų4545.6 Ų45.632%0.31523%0.233SC..G310 helixtrans-68.2-24.9177.5-38.60000111.8N49 A50 R54 K55N49-S52 WeakPolarHBondContact O-CB 3.38Å; N49-S52 PolarHBondContact O-N 3.31Å; N49-S52 PolarHBondContact O-OG 3.2Å; A50-S52 PolarHBondContact O-N 2.91Å; S52-R54 PolarHBondContact O-N 2.63Å; S52-K55 PolarHBondContact O-N 3.16Å
53F86.3Confident91.5Very high9 Ų943.9 Ų43.94%0.03922%0.216CC..G310 helixtrans-71-7.3176.2-52.1-37.5000113.4A50 L51 K55 G56 Y57 F60 I74 D76A50-F53 HydrophobicContact CB-CD2 4.21Å; A50-F53 HydrophobicContact CB-CE2 4.33Å; A50-F53 WeakPolarHBondContact O-CB 3.25Å; A50-F53 WeakPolarHBondContact O-CD2 3.3Å; A50-F53 PolarHBondContact O-N 2.86Å; L51-F53 PolarHBondContact O-N 3.03Å; F53-K55 PolarHBondContact O-N 2.99Å; F53-K55 VanDerWaalsContact O-N 3.17Å; F53-G56 WeakPolarHBondContact O-CA 3.4Å; F53-G56 PolarHBondContact O-N 3.04Å; F53-Y57 HydrophobicContact CB-CD1 4.15Å; F53-Y57 HydrophobicContact CB-CE1 4Å; F53-Y57 AromaticContact CD1-CD1 3.45Å; F53-Y57 HydrophobicContact CD1-CD1 3.45Å; F53-Y57 VanDerWaalsContact CD1-CD1 3.45Å; F53-Y57 AromaticContact CD1-CE1 3.62Å; F53-Y57 HydrophobicContact CD1-CE1 3.62Å; F53-Y57 HydrophobicContact CD2-CD1 4.19Å; F53-Y57 AromaticContact CD2-CE1 3.47Å; F53-Y57 HydrophobicContact CD2-CE1 3.47Å; F53-Y57 VanDerWaalsContact CD2-CE1 3.47Å; F53-Y57 AromaticContact CE1-CD1 3.79Å; F53-Y57 HydrophobicContact CE1-CD1 3.79Å; F53-Y57 AromaticContact CE1-CE1 3.86Å; F53-Y57 HydrophobicContact CE1-CE1 3.86Å; F53-Y57 HydrophobicContact CE2-CD1 4.49Å; F53-Y57 AromaticContact CE2-CE1 3.74Å; F53-Y57 HydrophobicContact CE2-CE1 3.74Å; F53-Y57 AromaticContact CG-CD1 3.68Å; F53-Y57 HydrophobicContact CG-CD1 3.68Å; F53-Y57 AromaticContact CG-CE1 3.41Å; F53-Y57 HydrophobicContact CG-CE1 3.41Å; F53-Y57 VanDerWaalsContact CG-CE1 3.41Å; F53-Y57 HydrophobicContact CZ-CD1 4.31Å; F53-Y57 AromaticContact CZ-CE1 3.93Å; F53-Y57 HydrophobicContact CZ-CE1 3.93Å; F53-F60 HydrophobicContact CD1-CB 4.44Å; F53-F60 AromaticContact CD1-CD1 3.83Å; F53-F60 HydrophobicContact CD1-CD1 3.83Å; F53-F60 HydrophobicContact CD1-CE1 4.31Å; F53-F60 HydrophobicContact CD1-CG 4.2Å; F53-F60 AromaticContact CE1-CD1 3.48Å; F53-F60 HydrophobicContact CE1-CD1 3.48Å; F53-F60 VanDerWaalsContact CE1-CD1 3.48Å; F53-F60 AromaticContact CE1-CE1 3.6Å; F53-F60 HydrophobicContact CE1-CE1 3.6Å; F53-F60 HydrophobicContact CE1-CG 4.28Å; F53-F60 HydrophobicContact CE1-CZ 4.5Å; F53-F60 HydrophobicContact CZ-CE1 4.48Å; F53-I74 HydrophobicContact CE1-CD1 4.45Å; F53-I74 HydrophobicContact CZ-CD1 4.32Å; F53-D76 HydrophobicContact CE2-CB 4.29Å
54R84.6Confident91.5Very high161 Ų16142.9 Ų42.961%0.60821%0.209SC*.G310 helixtrans-57-26.6171.7-75.5178.1178.6-173.81.7112.9L51 S52 G56 L216 L479L51-R54 VanDerWaalsContact O-CB 3.3Å; L51-R54 WeakPolarHBondContact O-CB 3.45Å; L51-R54 VanDerWaalsContact O-CG 3.27Å; L51-R54 WeakPolarHBondContact O-CG 3.32Å; L51-R54 PolarHBondContact O-N 3.37Å; S52-R54 PolarHBondContact O-N 2.63Å; R54-G56 VanDerWaalsContact C-N 3.34Å; R54-L216 HydrophobicContact CB-CD1 4.26Å; R54-L216 HydrophobicContact CG-CD1 3.43Å; R54-L216 VanDerWaalsContact CG-CD1 3.43Å; R54-L479 WeakPolarHBondContact O-CD1 3.36Å
55K83.6Confident91.6Very high119 Ų11940 Ų4052%0.51719%0.193SC..G310 helixtrans-89.96.8174.9-62-175.8-177.4177.70113.6S52 F53 T59 E63 L479S52-K55 PolarHBondContact O-N 3.16Å; F53-K55 PolarHBondContact O-N 2.99Å; F53-K55 VanDerWaalsContact O-N 3.17Å; K55-T59 HydrophobicContact CB-CG2 4.33Å; K55-T59 VanDerWaalsContact O-CB 3.23Å; K55-T59 WeakPolarHBondContact O-CB 3.33Å; K55-T59 PolarHBondContact O-OG1 3.24Å; K55-E63 IonicContact NZ-OE1 2.78Å; K55-L479 VanDerWaalsContact C-CD2 3.42Å; K55-L479 WeakPolarHBondContact O-CD2 3.47Å
56G86.1Confident91.6Very high2 Ų245.1 Ų45.12%0.02121%0.21CC..  trans91.2150.7-17400000113.2F53 R54 F60F53-G56 WeakPolarHBondContact O-CA 3.4Å; F53-G56 PolarHBondContact O-N 3.04Å; R54-G56 VanDerWaalsContact C-N 3.34Å; G56-F60 PolarHBondContact O-N 3.47Å
57Y88.4Confident91.8Very high32 Ų3249.8 Ų49.813%0.12523%0.23CC..Hα-helixtrans-63.6-44-178.9-76-54.6000113F53 F60 D61 P215 M371 R372F53-Y57 HydrophobicContact CB-CD1 4.15Å; F53-Y57 HydrophobicContact CB-CE1 4Å; F53-Y57 AromaticContact CD1-CD1 3.45Å; F53-Y57 HydrophobicContact CD1-CD1 3.45Å; F53-Y57 VanDerWaalsContact CD1-CD1 3.45Å; F53-Y57 AromaticContact CD1-CE1 3.62Å; F53-Y57 HydrophobicContact CD1-CE1 3.62Å; F53-Y57 HydrophobicContact CD2-CD1 4.19Å; F53-Y57 AromaticContact CD2-CE1 3.47Å; F53-Y57 HydrophobicContact CD2-CE1 3.47Å; F53-Y57 VanDerWaalsContact CD2-CE1 3.47Å; F53-Y57 AromaticContact CE1-CD1 3.79Å; F53-Y57 HydrophobicContact CE1-CD1 3.79Å; F53-Y57 AromaticContact CE1-CE1 3.86Å; F53-Y57 HydrophobicContact CE1-CE1 3.86Å; F53-Y57 HydrophobicContact CE2-CD1 4.49Å; F53-Y57 AromaticContact CE2-CE1 3.74Å; F53-Y57 HydrophobicContact CE2-CE1 3.74Å; F53-Y57 AromaticContact CG-CD1 3.68Å; F53-Y57 HydrophobicContact CG-CD1 3.68Å; F53-Y57 AromaticContact CG-CE1 3.41Å; F53-Y57 HydrophobicContact CG-CE1 3.41Å; F53-Y57 VanDerWaalsContact CG-CE1 3.41Å; F53-Y57 HydrophobicContact CZ-CD1 4.31Å; F53-Y57 AromaticContact CZ-CE1 3.93Å; F53-Y57 HydrophobicContact CZ-CE1 3.93Å; Y57-F60 PolarHBondContact O-N 2.93Å; Y57-D61 PolarHBondContact O-N 3.2Å; Y57-P215 HydrophobicContact CE2-CB 4.11Å; Y57-P215 HydrophobicContact CE2-CG 3.93Å; Y57-P215 WeakPolarHBondContact OH-CB 3.4Å; Y57-M371 HydrophobicContact CD2-CE 4.1Å; Y57-R372 VanDerWaalsContact CD1-NH1 3.33Å; Y57-R372 PolarHBondContact O-NH2 3.41Å; Y57-R372 VanDerWaalsContact O-NH2 3.11Å
58W89.3Confident91.9Very high16 Ų1649.8 Ų49.86%0.06123%0.227CC..Hα-helixtrans-69.8-41.9-176.465.498.4000111.7F60 D61 M62 M371 Y399 L477 R478 L479 L483W58-F60 VanDerWaalsContact C-N 3.31Å; W58-F60 PolarHBondContact O-N 2.94Å; W58-D61 PolarHBondContact O-N 2.91Å; W58-M62 WeakPolarHBondContact O-CB 3.44Å; W58-M62 VanDerWaalsContact O-CG 3.26Å; W58-M62 WeakPolarHBondContact O-CG 3.36Å; W58-M62 PolarHBondContact O-N 2.82Å; W58-M371 HydrophobicContact CB-SD 4.22Å; W58-M371 HydrophobicContact CD2-SD 4.05Å; W58-M371 HydrophobicContact CE3-CE 4.3Å; W58-M371 HydrophobicContact CE3-SD 3.27Å; W58-M371 HydrophobicContact CG-SD 4.46Å; W58-M371 HydrophobicContact CZ3-SD 3.97Å; W58-Y399 HydrophobicContact CB-CD1 3.66Å; W58-Y399 HydrophobicContact CB-CD2 4.03Å; W58-Y399 HydrophobicContact CB-CE1 4.07Å; W58-Y399 HydrophobicContact CB-CE2 4.39Å; W58-Y399 HydrophobicContact CB-CG 3.65Å; W58-Y399 AromaticContact CD1-CE1 3.77Å; W58-Y399 AromaticContact CD1-CZ 3.7Å; W58-Y399 HydrophobicContact CG-CD1 4.34Å; W58-Y399 HydrophobicContact CG-CD2 4.44Å; W58-Y399 HydrophobicContact CG-CE1 4.27Å; W58-Y399 HydrophobicContact CG-CE2 4.35Å; W58-Y399 HydrophobicContact CG-CG 4.44Å; W58-L477 HydrophobicContact CH2-CB 4.42Å; W58-L477 HydrophobicContact CZ2-CB 3.68Å; W58-R478 WeakPolarHBondContact CH2-O 3.38Å; W58-R478 WeakPolarHBondContact CZ3-O 3.33Å; W58-L479 HydrophobicContact CH2-CD2 3.6Å; W58-L479 HydrophobicContact CZ2-CD2 3.75Å; W58-L483 HydrophobicContact CD2-CD1 4.15Å; W58-L483 HydrophobicContact CE3-CD1 4.24Å; W58-L483 HydrophobicContact CG-CD1 4.49Å
59T91.8Very high91.8Very high45 Ų4556.9 Ų56.928%0.27625%0.253SS..Hα-helixtrans-57.7-46.5174.4-47.50000110.8K55 M62 E63K55-T59 HydrophobicContact CB-CG2 4.33Å; K55-T59 VanDerWaalsContact O-CB 3.23Å; K55-T59 WeakPolarHBondContact O-CB 3.33Å; K55-T59 PolarHBondContact O-OG1 3.24Å; T59-M62 PolarHBondContact O-N 2.69Å; T59-E63 WeakPolarHBondContact O-CG 3.24Å; T59-E63 PolarHBondContact O-N 3.13Å
60F94.1Very high91.5Very high9 Ų963 Ų634%0.03928%0.28CS..Hα-helixtrans-63.7-41178.5174-107.3000112.6P41 N49 F53 G56 Y57 W58 E63 C64 I74P41-F60 HydrophobicContact CG-CE2 4.23Å; P41-F60 HydrophobicContact CG-CZ 3.86Å; N49-F60 HydrophobicContact CB-CZ 4.12Å; F53-F60 HydrophobicContact CD1-CB 4.44Å; F53-F60 AromaticContact CD1-CD1 3.83Å; F53-F60 HydrophobicContact CD1-CD1 3.83Å; F53-F60 HydrophobicContact CD1-CE1 4.31Å; F53-F60 HydrophobicContact CD1-CG 4.2Å; F53-F60 AromaticContact CE1-CD1 3.48Å; F53-F60 HydrophobicContact CE1-CD1 3.48Å; F53-F60 VanDerWaalsContact CE1-CD1 3.48Å; F53-F60 AromaticContact CE1-CE1 3.6Å; F53-F60 HydrophobicContact CE1-CE1 3.6Å; F53-F60 HydrophobicContact CE1-CG 4.28Å; F53-F60 HydrophobicContact CE1-CZ 4.5Å; F53-F60 HydrophobicContact CZ-CE1 4.48Å; G56-F60 PolarHBondContact O-N 3.47Å; Y57-F60 PolarHBondContact O-N 2.93Å; W58-F60 VanDerWaalsContact C-N 3.31Å; W58-F60 PolarHBondContact O-N 2.94Å; F60-E63 PolarHBondContact O-N 3.38Å; F60-C64 VanDerWaalsContact CE2-SG 3.6Å; F60-C64 VanDerWaalsContact CZ-SG 3.51Å; F60-C64 WeakPolarHBondContact O-CB 3.4Å; F60-C64 PolarHBondContact O-N 2.95Å; F60-C64 PolarHBondContact O-SG 2.86Å; F60-I74 HydrophobicContact CE1-CB 4.45Å; F60-I74 HydrophobicContact CE1-CD1 3.89Å; F60-I74 HydrophobicContact CE1-CG2 3.89Å; F60-I74 HydrophobicContact CZ-CG2 3.94Å
61D95.6Very high91.9Very high0 Ų063.8 Ų63.80%028%0.284CS..Hα-helixtrans-67.5-38.3176.6-63.1-35.8000112.1Y57 W58 C64 Y65 W72 R372 P397 V400Y57-D61 PolarHBondContact O-N 3.2Å; W58-D61 PolarHBondContact O-N 2.91Å; D61-C64 PolarHBondContact O-N 2.98Å; D61-Y65 VanDerWaalsContact O-CB 3.31Å; D61-Y65 WeakPolarHBondContact O-CB 3.29Å; D61-Y65 PolarHBondContact O-N 2.78Å; D61-W72 HydrophobicContact CB-CZ2 4.37Å; D61-R372 IonicContact OD1-CZ 2.69Å; D61-R372 VanDerWaalsContact OD1-CZ 3.26Å; D61-R372 IonicContact OD1-NE 2.89Å; D61-R372 PolarHBondContact OD1-NE 2.76Å; D61-R372 IonicContact OD1-NH2 3.2Å; D61-R372 PolarHBondContact OD1-NH2 2.96Å; D61-R372 IonicContact OD2-CZ 3.61Å; D61-R372 IonicContact OD2-NE 2.67Å; D61-R372 PolarHBondContact OD2-NE 3.15Å; D61-R372 IonicContact OD2-NH2 3.67Å; D61-R372 PolarHBondContact OD2-NH2 3.08Å; D61-P397 HydrophobicContact CB-CB 4.38Å; D61-V400 HydrophobicContact CB-CG2 3.42Å; D61-V400 VanDerWaalsContact CB-CG2 3.42Å
62M95.1Very high92.3Very high57 Ų5760.9 Ų60.928%0.28127%0.269SS..Hα-helixtrans-61.9-44174.7-71.9-67.4-80.500111.2W58 T59 Y65 K66 Y399 V400 H403W58-M62 WeakPolarHBondContact O-CB 3.44Å; W58-M62 VanDerWaalsContact O-CG 3.26Å; W58-M62 WeakPolarHBondContact O-CG 3.36Å; W58-M62 PolarHBondContact O-N 2.82Å; T59-M62 PolarHBondContact O-N 2.69Å; M62-Y65 PolarHBondContact O-N 2.98Å; M62-K66 WeakPolarHBondContact O-CB 3.46Å; M62-K66 PolarHBondContact O-N 2.76Å; M62-Y399 HydrophobicContact CG-CD1 4.23Å; M62-Y399 HydrophobicContact CG-CE1 4.27Å; M62-Y399 HydrophobicContact SD-CD1 4.41Å; M62-V400 HydrophobicContact CG-CG2 4.08Å; M62-V400 HydrophobicContact SD-CB 4Å; M62-V400 HydrophobicContact SD-CG1 4.05Å; M62-V400 HydrophobicContact SD-CG2 3.77Å; M62-H403 HydrophobicContact CE-CB 3.96Å; M62-H403 HydrophobicContact SD-CB 4.43Å
63E95.9Very high92.7Very high94 Ų9458.8 Ų58.844%0.43926%0.255SS..Hα-helixtrans-61.7-44.1174.5-73.8-179.617900111.5K55 T59 F60 K66 K67K55-E63 IonicContact NZ-OE1 2.78Å; T59-E63 WeakPolarHBondContact O-CG 3.24Å; T59-E63 PolarHBondContact O-N 3.13Å; F60-E63 PolarHBondContact O-N 3.38Å; E63-K66 PolarHBondContact O-N 3.39Å; E63-K67 WeakPolarHBondContact O-CB 3.29Å; E63-K67 PolarHBondContact O-N 3.34Å; E63-K67 VanDerWaalsContact O-N 3.15Å
64C97Very high93.2Very high5 Ų558.4 Ų58.43%0.03425%0.253CS..Hα-helixtrans-64.4-44.5176.6-710000112F60 D61 K66 K67 Y68 W72F60-C64 VanDerWaalsContact CE2-SG 3.6Å; F60-C64 VanDerWaalsContact CZ-SG 3.51Å; F60-C64 WeakPolarHBondContact O-CB 3.4Å; F60-C64 PolarHBondContact O-N 2.95Å; F60-C64 PolarHBondContact O-SG 2.86Å; D61-C64 PolarHBondContact O-N 2.98Å; C64-K66 PolarHBondContact O-N 2.97Å; C64-K67 PolarHBondContact O-N 2.95Å; C64-Y68 HydrophobicContact CB-CD2 4.14Å; C64-Y68 WeakPolarHBondContact O-CB 3.22Å; C64-Y68 WeakPolarHBondContact O-CD2 3.21Å; C64-Y68 PolarHBondContact O-N 3.15Å; C64-W72 HydrophobicContact CB-CD2 4.09Å; C64-W72 HydrophobicContact CB-CG 4.15Å; C64-W72 HydrophobicContact CB-CZ2 4.07Å; C64-W72 VanDerWaalsContact CB-NE1 3.35Å
65Y96.9Very high93.8Very high25 Ų2551 Ų5110%0.09823%0.225CC..Hα-helixtrans-62.4-43.1178.3-176.4-121000111.7D61 M62 K67 R69 W72 T85 V400 D404D61-Y65 VanDerWaalsContact O-CB 3.31Å; D61-Y65 WeakPolarHBondContact O-CB 3.29Å; D61-Y65 PolarHBondContact O-N 2.78Å; M62-Y65 PolarHBondContact O-N 2.98Å; Y65-K67 VanDerWaalsContact C-N 3.26Å; Y65-K67 PolarHBondContact O-N 3.4Å; Y65-R69 WeakPolarHBondContact CD2-O 3.34Å; Y65-R69 WeakPolarHBondContact CE2-O 3.2Å; Y65-R69 WeakPolarHBondContact O-CA 3.36Å; Y65-R69 WeakPolarHBondContact O-CD 3.41Å; Y65-R69 PolarHBondContact O-N 3.23Å; Y65-W72 HydrophobicContact CD2-CH2 4.24Å; Y65-W72 AromaticContact CD2-CZ3 3.8Å; Y65-W72 HydrophobicContact CD2-CZ3 3.8Å; Y65-W72 HydrophobicContact CG-CZ3 4.5Å; Y65-T85 HydrophobicContact CD2-CG2 3.99Å; Y65-T85 HydrophobicContact CE2-CG2 3.89Å; Y65-V400 VanDerWaalsContact CB-CG1 3.5Å; Y65-V400 HydrophobicContact CD1-CG1 3.32Å; Y65-V400 HydrophobicContact CD2-CG1 4.04Å; Y65-V400 HydrophobicContact CE1-CG1 4.03Å; Y65-V400 HydrophobicContact CG-CG1 3.33Å; Y65-D404 HydrophobicContact CE1-CB 4.19Å; Y65-D404 WeakPolarHBondContact CE1-OD2 3.4Å; Y65-D404 VanDerWaalsContact CZ-OD2 3.26Å; Y65-D404 PolarHBondContact OH-OD2 3.13Å
66K95.6Very high94.3Very high160 Ų16045.5 Ų45.570%0.69620%0.202SC*.Hα-helixtrans-60.1-37.6176.3-173175.9-179.7178.30112.2M62 E63 C64 R69M62-K66 WeakPolarHBondContact O-CB 3.46Å; M62-K66 PolarHBondContact O-N 2.76Å; E63-K66 PolarHBondContact O-N 3.39Å; C64-K66 PolarHBondContact O-N 2.97Å; K66-R69 PolarHBondContact O-NE 3.23Å
67K96.7Very high94.6Very high149 Ų14945.4 Ų45.465%0.64820%0.201SC*.Hα-helixtrans-85.5-44.7-175.8-171.3173.9176.7-168.20113.9E63 C64 Y65E63-K67 WeakPolarHBondContact O-CB 3.29Å; E63-K67 PolarHBondContact O-N 3.34Å; E63-K67 VanDerWaalsContact O-N 3.15Å; C64-K67 PolarHBondContact O-N 2.95Å; Y65-K67 VanDerWaalsContact C-N 3.26Å; Y65-K67 PolarHBondContact O-N 3.4Å
68Y95.7Very high94.7Very high45 Ų4545 Ų4518%0.17620%0.2CC..Hα-helixtrans-108.7-11.6-170.5-53.1-60.9000113.6P39 G40 P41 C64 K70 W72P39-Y68 HydrophobicContact CB-CD1 3.79Å; P39-Y68 HydrophobicContact CB-CE1 4.47Å; P39-Y68 HydrophobicContact CB-CG 4.35Å; G40-Y68 VanDerWaalsContact C-CZ 3.43Å; G40-Y68 PolarHBondContact O-OH 3.4Å; P41-Y68 WeakPolarHBondContact CA-OH 3.22Å; P41-Y68 HydrophobicContact CG-CE2 4.48Å; C64-Y68 HydrophobicContact CB-CD2 4.14Å; C64-Y68 WeakPolarHBondContact O-CB 3.22Å; C64-Y68 WeakPolarHBondContact O-CD2 3.21Å; C64-Y68 PolarHBondContact O-N 3.15Å; Y68-K70 PolarHBondContact O-N 3.4Å; Y68-W72 HydrophobicContact CD2-CB 4Å; Y68-W72 HydrophobicContact CD2-CG 4.35Å; Y68-W72 HydrophobicContact CG-CB 4.11Å
69R91.4Very high95Very high150 Ų15046.6 Ų46.657%0.56621%0.208SC*.THydrogen-bonded Turntrans63-123.3176.7-51.6-62.7-173.6166.93.2112.3Y65 K66 V71 W72Y65-R69 WeakPolarHBondContact CD2-O 3.34Å; Y65-R69 WeakPolarHBondContact CE2-O 3.2Å; Y65-R69 WeakPolarHBondContact O-CA 3.36Å; Y65-R69 WeakPolarHBondContact O-CD 3.41Å; Y65-R69 PolarHBondContact O-N 3.23Å; K66-R69 PolarHBondContact O-NE 3.23Å; R69-V71 PolarHBondContact O-N 3.41Å; R69-W72 WeakPolarHBondContact O-CZ3 3.39Å
70K90.3Very high95.3Very high134 Ų13445.2 Ų45.258%0.58320%0.2SC*.THydrogen-bonded Turntrans-64.2-36.3-156.8-65.5-175.3-179.9-176.80114.5Y68 T85Y68-K70 PolarHBondContact O-N 3.4Å; K70-T85 VanDerWaalsContact C-OG1 3.31Å; K70-T85 VanDerWaalsContact CA-OG1 3.22Å; K70-T85 WeakPolarHBondContact CA-OG1 3.45Å; K70-T85 PolarHBondContact O-N 3.33Å; K70-T85 VanDerWaalsContact O-N 3.16Å; K70-T85 PolarHBondContact O-OG1 2.88Å
71V96.6Very high95.5Very high21 Ų2144.8 Ų44.813%0.12720%0.198CC..EExtended strand (participates in β ladder)trans-143.6137.7-176.8177.30000109.2I38 P39 R69 L82 A83 M386I38-V71 HydrophobicContact CG2-CG1 4.29Å; P39-V71 WeakPolarHBondContact CG-O 3.47Å; R69-V71 PolarHBondContact O-N 3.41Å; V71-L82 HydrophobicContact CG1-CD1 3.48Å; V71-L82 VanDerWaalsContact CG1-CD1 3.48Å; V71-L82 HydrophobicContact CG1-CG 4.36Å; V71-A83 WeakPolarHBondContact CA-O 3.37Å; V71-A83 WeakPolarHBondContact CG1-O 3.33Å; V71-M386 HydrophobicContact CB-CE 4.09Å; V71-M386 HydrophobicContact CG1-CE 3.83Å; V71-M386 HydrophobicContact CG1-SD 3.85Å; V71-M386 HydrophobicContact CG2-CE 3.75Å; V71-M386 HydrophobicContact CG2-SD 4.39Å
72W98.2Very high95.6Very high0 Ų044.9 Ų44.90%020%0.198CC..EExtended strand (participates in β ladder)trans-149.8153.7172.567.997.7000112.2P39 D61 C64 Y65 Y68 R69 A83 T85 M395 P397P39-W72 CarbonylContact O-C 3.58Å; P39-W72 WeakPolarHBondContact O-CA 3.41Å; P39-W72 WeakPolarHBondContact O-CB 3.48Å; D61-W72 HydrophobicContact CB-CZ2 4.37Å; C64-W72 HydrophobicContact CB-CD2 4.09Å; C64-W72 HydrophobicContact CB-CG 4.15Å; C64-W72 HydrophobicContact CB-CZ2 4.07Å; C64-W72 VanDerWaalsContact CB-NE1 3.35Å; Y65-W72 HydrophobicContact CD2-CH2 4.24Å; Y65-W72 AromaticContact CD2-CZ3 3.8Å; Y65-W72 HydrophobicContact CD2-CZ3 3.8Å; Y65-W72 HydrophobicContact CG-CZ3 4.5Å; Y68-W72 HydrophobicContact CD2-CB 4Å; Y68-W72 HydrophobicContact CD2-CG 4.35Å; Y68-W72 HydrophobicContact CG-CB 4.11Å; R69-W72 WeakPolarHBondContact O-CZ3 3.39Å; W72-A83 HydrophobicContact CD2-CB 3.4Å; W72-A83 HydrophobicContact CE3-CB 3.77Å; W72-A83 HydrophobicContact CG-CB 3.97Å; W72-A83 HydrophobicContact CH2-CB 3.83Å; W72-A83 HydrophobicContact CZ2-CB 3.43Å; W72-A83 VanDerWaalsContact CZ2-CB 3.43Å; W72-A83 HydrophobicContact CZ3-CB 3.96Å; W72-A83 PolarHBondContact N-O 2.84Å; W72-A83 PolarHBondContact O-N 2.81Å; W72-T85 HydrophobicContact CH2-CG2 4.12Å; W72-T85 HydrophobicContact CZ3-CG2 3.73Å; W72-M395 HydrophobicContact CZ2-CE 4.23Å; W72-P397 HydrophobicContact CH2-CB 4.3Å; W72-P397 HydrophobicContact CH2-CG 3.68Å; W72-P397 HydrophobicContact CZ2-CG 4.28Å
73G97.9Very high95.8Very high2 Ų242.2 Ų42.22%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-103.5137.217600000111.7F33 P39 G40 P41 M81F33-G73 VanDerWaalsContact CD2-CA 3.47Å; P39-G73 PolarHBondContact O-N 3.11Å; G40-G73 WeakPolarHBondContact CA-O 2.99Å; P41-G73 WeakPolarHBondContact CD-O 3.45Å; G73-M81 WeakPolarHBondContact CA-O 3.37Å
74I97.4Very high95.9Very high0 Ų037.8 Ų37.80%017%0.165CC..EExtended strand (participates in β ladder)trans-133.1161.317167.5177.7000109.9F33 P41 N49 F53 F60 M81F33-I74 WeakPolarHBondContact CE2-O 3.49Å; P41-I74 HydrophobicContact CG-CG2 4.02Å; N49-I74 WeakPolarHBondContact OD1-CA 3.34Å; F53-I74 HydrophobicContact CE1-CD1 4.45Å; F53-I74 HydrophobicContact CZ-CD1 4.32Å; F60-I74 HydrophobicContact CE1-CB 4.45Å; F60-I74 HydrophobicContact CE1-CD1 3.89Å; F60-I74 HydrophobicContact CE1-CG2 3.89Å; F60-I74 HydrophobicContact CZ-CG2 3.94Å; I74-M81 HydrophobicContact CD1-CB 4.4Å; I74-M81 HydrophobicContact CD1-SD 4.32Å; I74-M81 HydrophobicContact CG1-CB 3.76Å; I74-M81 HydrophobicContact CG1-CG 4.43Å; I74-M81 HydrophobicContact CG1-SD 4.46Å; I74-M81 PolarHBondContact N-O 3.36Å; I74-M81 PolarHBondContact O-N 2.96Å
75Y96.8Very high95.9Very high6 Ų637.7 Ų37.72%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-118.2116175.2-62.9-87.4000109.4T29 H30 L32 F33 P43 N49 C77 Q79 P80T29-Y75 WeakPolarHBondContact O-CE1 3.32Å; T29-Y75 PolarHBondContact O-OH 3.36Å; H30-Y75 AromaticContact CD2-CD1 3.65Å; H30-Y75 AromaticContact CD2-CG 3.7Å; H30-Y75 PolarHBondContact O-OH 2.91Å; H30-Y75 VanDerWaalsContact O-OH 3.13Å; L32-Y75 HydrophobicContact CB-CE1 4.49Å; L32-Y75 WeakPolarHBondContact CB-OH 3.48Å; L32-Y75 PolarHBondContact N-OH 2.72Å; F33-Y75 HydrophobicContact CD2-CD2 4.33Å; F33-Y75 HydrophobicContact CD2-CE1 4.1Å; F33-Y75 AromaticContact CD2-CE2 3.53Å; F33-Y75 HydrophobicContact CD2-CE2 3.53Å; F33-Y75 AromaticContact CD2-CZ 3.39Å; F33-Y75 WeakPolarHBondContact CD2-OH 3.4Å; F33-Y75 HydrophobicContact CE2-CE1 4.1Å; F33-Y75 HydrophobicContact CE2-CE2 4.12Å; F33-Y75 AromaticContact CE2-CZ 3.85Å; F33-Y75 PolarHBondContact N-OH 3.46Å; P43-Y75 HydrophobicContact CB-CD2 3.75Å; P43-Y75 HydrophobicContact CB-CE2 4.48Å; P43-Y75 HydrophobicContact CB-CG 4.25Å; P43-Y75 HydrophobicContact CG-CD2 3.73Å; P43-Y75 HydrophobicContact CG-CE2 3.96Å; N49-Y75 PolarHBondContact N-O 3.42Å; N49-Y75 PolarHBondContact OD1-N 3.48Å; Y75-C77 PolarHBondContact O-N 2.82Å; Y75-Q79 WeakPolarHBondContact CA-O 3.43Å; Y75-P80 HydrophobicContact CD1-CB 4.13Å; Y75-P80 HydrophobicContact CE1-CB 3.89Å
76D93Very high95.9Very high4 Ų439 Ų392%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-88.196165.6-177.119.1000108.3F53 Q78 Q79 M81 R106 K224F53-D76 HydrophobicContact CE2-CB 4.29Å; D76-Q78 PolarHBondContact O-N 3.49Å; D76-Q78 VanDerWaalsContact O-N 3.14Å; D76-Q79 PolarHBondContact N-O 2.63Å; D76-Q79 WeakPolarHBondContact O-CB 3.48Å; D76-Q79 PolarHBondContact O-N 3.29Å; D76-M81 HydrophobicContact CB-SD 3.79Å; D76-R106 IonicContact OD2-CZ 3.61Å; D76-R106 IonicContact OD2-NH1 3.34Å; D76-R106 PolarHBondContact OD2-NH1 2.9Å; D76-R106 IonicContact OD2-NH2 3.66Å; D76-R106 PolarHBondContact OD2-NH2 2.98Å; D76-K224 IonicContact OD1-NZ 3.07Å; D76-K224 PolarHBondContact OD1-NZ 2.94Å; D76-K224 WeakPolarHBondContact OD2-CE 3.46Å; D76-K224 IonicContact OD2-NZ 2.72Å; D76-K224 PolarHBondContact OD2-NZ 2.98Å
77C92.9Very high96Very high0 Ų032.2 Ų32.20%015%0.145CC..THydrogen-bonded Turntrans56.4-110.4-164.9-540000111.1H30 F46 L47 Y75 K224 V225H30-C77 PolarHBondContact NE2-O 2.99Å; F46-C77 CarbonylContact O-C 3.29Å; F46-C77 WeakPolarHBondContact O-CA 3.31Å; F46-C77 WeakPolarHBondContact O-CB 3.34Å; L47-C77 WeakPolarHBondContact O-CA 3.47Å; L47-C77 PolarHBondContact O-N 3.25Å; Y75-C77 PolarHBondContact O-N 2.82Å; C77-K224 HydrophobicContact CB-CB 4.05Å; C77-V225 HydrophobicContact CB-CG2 4.12Å
78Q91.4Very high96Very high22 Ų2229.6 Ų29.610%0.10314%0.138CC..THydrogen-bonded Turntrans-90.9-14.4177.9-64.6-69.7-11.600113.4Y25 G26 T29 D76 P80Y25-Q78 PolarHBondContact O-NE2 3.13Å; G26-Q78 PolarHBondContact O-NE2 3.48Å; T29-Q78 WeakPolarHBondContact CB-O 3.5Å; T29-Q78 PolarHBondContact OG1-O 3.44Å; T29-Q78 PolarHBondContact OG1-OE1 3.12Å; D76-Q78 PolarHBondContact O-N 3.49Å; D76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-P80 WeakPolarHBondContact O-CD 3.4Å
79Q95.4Very high96.1Very high51 Ų5127.9 Ų27.924%0.23813%0.132CC..EExtended strand (participates in β ladder)trans-80.3114.5-174.8177.463.664.400110.9Y75 D76 M81 G391 V393Y75-Q79 WeakPolarHBondContact CA-O 3.43Å; D76-Q79 PolarHBondContact N-O 2.63Å; D76-Q79 WeakPolarHBondContact O-CB 3.48Å; D76-Q79 PolarHBondContact O-N 3.29Å; Q79-M81 HydrophobicContact CG-CG 4.28Å; Q79-G391 PolarHBondContact NE2-O 3.38Å; Q79-V393 HydrophobicContact CG-CG2 3.93Å
80P97.3Very high96.5Very high15 Ų1520.7 Ų20.710%0.09711%0.105CC..EExtended strand (participates in β ladder)trans-69133.517028-33.9000110.7L32 F33 Y75 Q78 V392 V393L32-P80 HydrophobicContact CD2-CB 3.79Å; L32-P80 HydrophobicContact CD2-CG 3.94Å; F33-P80 HydrophobicContact CE2-CB 3.85Å; F33-P80 HydrophobicContact CZ-CB 3.82Å; Y75-P80 HydrophobicContact CD1-CB 4.13Å; Y75-P80 HydrophobicContact CE1-CB 3.89Å; Q78-P80 WeakPolarHBondContact O-CD 3.4Å; P80-V392 HydrophobicContact CB-CG2 4.26Å; P80-V392 HydrophobicContact CG-CG2 4.02Å; P80-V393 PolarHBondContact O-N 3.01Å
81M97.7Very high96.9Very high1 Ų117.9 Ų17.91%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-127.3126.7174.9-50-179.964.100110.1F33 G73 I74 D76 Q79 E374 V393 M395F33-M81 VanDerWaalsContact CZ-O 3.29Å; F33-M81 WeakPolarHBondContact CZ-O 3.39Å; G73-M81 WeakPolarHBondContact CA-O 3.37Å; I74-M81 HydrophobicContact CD1-CB 4.4Å; I74-M81 HydrophobicContact CD1-SD 4.32Å; I74-M81 HydrophobicContact CG1-CB 3.76Å; I74-M81 HydrophobicContact CG1-CG 4.43Å; I74-M81 HydrophobicContact CG1-SD 4.46Å; I74-M81 PolarHBondContact N-O 3.36Å; I74-M81 PolarHBondContact O-N 2.96Å; D76-M81 HydrophobicContact CB-SD 3.79Å; Q79-M81 HydrophobicContact CG-CG 4.28Å; M81-E374 HydrophobicContact CE-CG 4.41Å; M81-E374 WeakPolarHBondContact CE-OE1 3.37Å; M81-V393 CarbonylContact C-O 3.48Å; M81-V393 WeakPolarHBondContact CA-O 3.36Å; M81-V393 HydrophobicContact CB-CB 4.43Å; M81-V393 HydrophobicContact CE-CG1 4.03Å; M81-V393 HydrophobicContact CG-CB 4.11Å; M81-M395 HydrophobicContact CE-CB 4.25Å; M81-M395 HydrophobicContact CE-CG 4.26Å
82L98.4Very high97Very high2 Ų217.5 Ų17.51%0.019%0.09CC..EExtended strand (participates in β ladder)trans-103.9113.3178.6178.863.8000109.3F33 I38 V71 I84 M386 I388 V392 V393 V394 M395F33-L82 HydrophobicContact CE1-CB 4.14Å; F33-L82 HydrophobicContact CE1-CD1 4.1Å; F33-L82 HydrophobicContact CZ-CB 4.36Å; I38-L82 HydrophobicContact CD1-CD1 3.94Å; I38-L82 HydrophobicContact CG2-CD1 3.95Å; V71-L82 HydrophobicContact CG1-CD1 3.48Å; V71-L82 VanDerWaalsContact CG1-CD1 3.48Å; V71-L82 HydrophobicContact CG1-CG 4.36Å; L82-I84 HydrophobicContact CD2-CG2 4.4Å; L82-I84 HydrophobicContact CG-CG2 4.15Å; L82-M386 HydrophobicContact CD2-SD 4.03Å; L82-I388 HydrophobicContact CD2-CD1 4Å; L82-I388 HydrophobicContact CD2-CG1 3.87Å; L82-I388 HydrophobicContact CD2-CG2 4.35Å; L82-V392 HydrophobicContact CB-CG1 3.75Å; L82-V393 PolarHBondContact N-O 3.48Å; L82-V394 CarbonylContact O-C 3.54Å; L82-V394 WeakPolarHBondContact O-CA 3.26Å; L82-M395 PolarHBondContact O-N 3.24Å
83A98.4Very high97Very high1 Ų117.5 Ų17.51%0.0089%0.09CC..EExtended strand (participates in β ladder)trans-84.5131.6175.300000110.8V71 W72 M395V71-A83 WeakPolarHBondContact CA-O 3.37Å; V71-A83 WeakPolarHBondContact CG1-O 3.33Å; W72-A83 HydrophobicContact CD2-CB 3.4Å; W72-A83 HydrophobicContact CE3-CB 3.77Å; W72-A83 HydrophobicContact CG-CB 3.97Å; W72-A83 HydrophobicContact CH2-CB 3.83Å; W72-A83 HydrophobicContact CZ2-CB 3.43Å; W72-A83 VanDerWaalsContact CZ2-CB 3.43Å; W72-A83 HydrophobicContact CZ3-CB 3.96Å; W72-A83 PolarHBondContact N-O 2.84Å; W72-A83 PolarHBondContact O-N 2.81Å; A83-M395 CarbonylContact C-O 3.47Å; A83-M395 VanDerWaalsContact CA-O 3.3Å; A83-M395 WeakPolarHBondContact CA-O 3.29Å; A83-M395 HydrophobicContact CB-CE 3.52Å; A83-M395 HydrophobicContact CB-SD 4.38Å
84I98.3Very high97Very high0 Ų017.4 Ų17.40%09%0.089CC..EExtended strand (participates in β ladder)trans-126.5139.4178.962.5167.3000110.5L82 M89 I90 V93 V394 M395 I396 P397L82-I84 HydrophobicContact CD2-CG2 4.4Å; L82-I84 HydrophobicContact CG-CG2 4.15Å; I84-M89 HydrophobicContact CB-CG 4.45Å; I84-M89 HydrophobicContact CB-SD 3.9Å; I84-M89 HydrophobicContact CD1-CB 4.29Å; I84-M89 HydrophobicContact CD1-CG 3.78Å; I84-M89 HydrophobicContact CD1-SD 4.27Å; I84-M89 HydrophobicContact CG2-CG 4.39Å; I84-M89 HydrophobicContact CG2-SD 3.44Å; I84-M89 WeakPolarHBondContact CG2-SD 3.41Å; I84-I90 HydrophobicContact CD1-CG1 3.95Å; I84-I90 HydrophobicContact CG1-CG1 4.07Å; I84-V93 HydrophobicContact CD1-CB 4.4Å; I84-V93 HydrophobicContact CD1-CG2 3.96Å; I84-V394 HydrophobicContact CD1-CG1 3.55Å; I84-V394 HydrophobicContact CG1-CG1 3.81Å; I84-V394 HydrophobicContact CG2-CG1 4.24Å; I84-M395 PolarHBondContact N-O 3.06Å; I84-I396 HydrophobicContact CD1-CG1 4.36Å; I84-I396 HydrophobicContact CG1-CG1 4.15Å; I84-P397 VanDerWaalsContact O-CD 3.23Å; I84-P397 WeakPolarHBondContact O-CD 3.44Å
85T97.9Very high97Very high4 Ų419.8 Ų19.83%0.02510%0.103CC..  trans-127-0.9-179.360.80000113.9Y65 K70 W72 P397 L401Y65-T85 HydrophobicContact CD2-CG2 3.99Å; Y65-T85 HydrophobicContact CE2-CG2 3.89Å; K70-T85 VanDerWaalsContact C-OG1 3.31Å; K70-T85 VanDerWaalsContact CA-OG1 3.22Å; K70-T85 WeakPolarHBondContact CA-OG1 3.45Å; K70-T85 PolarHBondContact O-N 3.33Å; K70-T85 VanDerWaalsContact O-N 3.16Å; K70-T85 PolarHBondContact O-OG1 2.88Å; W72-T85 HydrophobicContact CH2-CG2 4.12Å; W72-T85 HydrophobicContact CZ3-CG2 3.73Å; T85-P397 HydrophobicContact CG2-CG 3.87Å; T85-L401 HydrophobicContact CG2-CD2 3.87Å
86D97Very high97.1Very high52 Ų5225.6 Ų25.628%0.27813%0.129SC..  trans-80123.7177.5-178.5-97.2000110.8D88 M89 I90D86-D88 VanDerWaalsContact C-N 3.32Å; D86-D88 PolarHBondContact O-N 3.49Å; D86-D88 PolarHBondContact OD1-N 3.37Å; D86-M89 HydrophobicContact CB-CB 4.06Å; D86-M89 PolarHBondContact O-N 3.48Å; D86-M89 PolarHBondContact OD1-N 2.91Å; D86-I90 VanDerWaalsContact O-CG1 3.25Å; D86-I90 WeakPolarHBondContact O-CG1 3.41Å; D86-I90 PolarHBondContact O-N 2.82Å
87P97.3Very high97.3Very high17 Ų1728.3 Ų28.311%0.1114%0.141CC..Hα-helixtrans-56.4-39.3-176.6-26.332.9000114.6I90 K91 D428 I431P87-I90 PolarHBondContact O-N 3.17Å; P87-K91 VanDerWaalsContact O-CB 3.32Å; P87-K91 WeakPolarHBondContact O-CB 3.42Å; P87-K91 PolarHBondContact O-N 3.29Å; P87-D428 VanDerWaalsContact CB-OD2 3.27Å; P87-D428 WeakPolarHBondContact CB-OD2 3.34Å; P87-I431 HydrophobicContact CG-CD1 3.8Å; P87-I431 HydrophobicContact CG-CG1 4.02Å
88D97.5Very high97.6Very high94 Ų9428.3 Ų28.350%0.50314%0.141SC..Hα-helixtrans-71.3-38.1-178.2-74.7-43.3000111.6D86 T92D86-D88 VanDerWaalsContact C-N 3.32Å; D86-D88 PolarHBondContact O-N 3.49Å; D86-D88 PolarHBondContact OD1-N 3.37Å; D88-T92 WeakPolarHBondContact O-CB 3.35Å; D88-T92 PolarHBondContact O-N 3.3Å; D88-T92 PolarHBondContact O-OG1 2.8Å
89M97.7Very high97.8Very high9 Ų933 Ų334%0.04416%0.159CC..Hα-helixtrans-65.2-43.4172.1-166175-73.500111.2I84 D86 T92 V93 I383 N384 M386I84-M89 HydrophobicContact CB-CG 4.45Å; I84-M89 HydrophobicContact CB-SD 3.9Å; I84-M89 HydrophobicContact CD1-CB 4.29Å; I84-M89 HydrophobicContact CD1-CG 3.78Å; I84-M89 HydrophobicContact CD1-SD 4.27Å; I84-M89 HydrophobicContact CG2-CG 4.39Å; I84-M89 HydrophobicContact CG2-SD 3.44Å; I84-M89 WeakPolarHBondContact CG2-SD 3.41Å; D86-M89 HydrophobicContact CB-CB 4.06Å; D86-M89 PolarHBondContact O-N 3.48Å; D86-M89 PolarHBondContact OD1-N 2.91Å; M89-T92 PolarHBondContact O-N 3.16Å; M89-V93 WeakPolarHBondContact O-CG2 3.48Å; M89-V93 PolarHBondContact O-N 3.27Å; M89-I383 HydrophobicContact CG-CG2 3.95Å; M89-N384 HydrophobicContact CE-CB 4.03Å; M89-M386 HydrophobicContact CE-CB 3.98Å; M89-M386 HydrophobicContact CE-CE 4.23Å; M89-M386 HydrophobicContact CE-SD 4.17Å; M89-M386 HydrophobicContact SD-SD 4.32Å
90I98.6Very high97.9Very high0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-60.9-46.6176.2-68.2165.1000110.6I84 D86 P87 T92 V93 L94 I396 L401 Y430I84-I90 HydrophobicContact CD1-CG1 3.95Å; I84-I90 HydrophobicContact CG1-CG1 4.07Å; D86-I90 VanDerWaalsContact O-CG1 3.25Å; D86-I90 WeakPolarHBondContact O-CG1 3.41Å; D86-I90 PolarHBondContact O-N 2.82Å; P87-I90 PolarHBondContact O-N 3.17Å; I90-T92 VanDerWaalsContact C-N 3.29Å; I90-T92 PolarHBondContact O-N 3.25Å; I90-V93 PolarHBondContact O-N 3.42Å; I90-L94 HydrophobicContact CG2-CD1 3.59Å; I90-L94 HydrophobicContact CG2-CG 4.09Å; I90-L94 WeakPolarHBondContact O-CB 3.35Å; I90-L94 WeakPolarHBondContact O-CG 3.2Å; I90-L94 PolarHBondContact O-N 3.39Å; I90-I396 HydrophobicContact CD1-CG2 3.8Å; I90-I396 HydrophobicContact CG1-CG1 4.02Å; I90-I396 HydrophobicContact CG1-CG2 4.05Å; I90-I396 HydrophobicContact CG2-CG1 4.17Å; I90-I396 HydrophobicContact CG2-CG2 4.29Å; I90-L401 HydrophobicContact CD1-CD1 3.71Å; I90-Y430 WeakPolarHBondContact CD1-O 3.5Å; I90-Y430 HydrophobicContact CG2-CD1 4.2Å; I90-Y430 HydrophobicContact CG2-CG 4.43Å
91K98.5Very high97.9Very high75 Ų7531.7 Ų31.733%0.32616%0.156SC..Hα-helixtrans-57.2-42.8174.7176.9174.2-168.5174.70111.7P87 V95 K96 Y430P87-K91 VanDerWaalsContact O-CB 3.32Å; P87-K91 WeakPolarHBondContact O-CB 3.42Å; P87-K91 PolarHBondContact O-N 3.29Å; K91-V95 WeakPolarHBondContact O-CA 3.42Å; K91-V95 VanDerWaalsContact O-CB 3.26Å; K91-V95 WeakPolarHBondContact O-CB 3.46Å; K91-V95 PolarHBondContact O-N 3.42Å; K91-K96 PolarHBondContact O-N 2.96Å; K91-Y430 HydrophobicContact CB-CD1 3.91Å; K91-Y430 HydrophobicContact CB-CD2 3.95Å; K91-Y430 HydrophobicContact CB-CE1 3.71Å; K91-Y430 HydrophobicContact CB-CE2 3.75Å; K91-Y430 HydrophobicContact CB-CG 4.03Å; K91-Y430 HydrophobicContact CD-CD2 4.39Å; K91-Y430 HydrophobicContact CD-CE2 3.56Å; K91-Y430 WeakPolarHBondContact CE-OH 3.28Å; K91-Y430 HydrophobicContact CG-CD2 4.48Å; K91-Y430 HydrophobicContact CG-CE1 3.88Å; K91-Y430 HydrophobicContact CG-CE2 3.78Å; K91-Y430 VanDerWaalsContact CG-CZ 3.43Å; K91-Y430 WeakPolarHBondContact CG-OH 3.27Å
92T98.4Very high98Very high13 Ų1331.6 Ų31.68%0.0816%0.155CC..Iπ-helixtrans-64.7-47179.9-57.90000111D88 M89 I90 K96 E97 I383D88-T92 WeakPolarHBondContact O-CB 3.35Å; D88-T92 PolarHBondContact O-N 3.3Å; D88-T92 PolarHBondContact O-OG1 2.8Å; M89-T92 PolarHBondContact O-N 3.16Å; I90-T92 VanDerWaalsContact C-N 3.29Å; I90-T92 PolarHBondContact O-N 3.25Å; T92-K96 HydrophobicContact CG2-CB 4.35Å; T92-K96 HydrophobicContact CG2-CD 4.38Å; T92-K96 PolarHBondContact O-N 3.17Å; T92-E97 HydrophobicContact CG2-CG 3.8Å; T92-E97 PolarHBondContact O-N 3.3Å; T92-I383 HydrophobicContact CG2-CD1 4.32Å; T92-I383 HydrophobicContact CG2-CG1 4.41Å; T92-I383 HydrophobicContact CG2-CG2 3.73Å
93V98.4Very high98Very high0 Ų031.6 Ų31.60%016%0.155CC..Iπ-helixtrans-67.9-45.5179.7171.40000112.5I84 M89 I90 F102 R375 I383 V394I84-V93 HydrophobicContact CD1-CB 4.4Å; I84-V93 HydrophobicContact CD1-CG2 3.96Å; M89-V93 WeakPolarHBondContact O-CG2 3.48Å; M89-V93 PolarHBondContact O-N 3.27Å; I90-V93 PolarHBondContact O-N 3.42Å; V93-F102 HydrophobicContact CB-CD2 4.2Å; V93-F102 HydrophobicContact CB-CE2 4.45Å; V93-F102 HydrophobicContact CB-CG 4.42Å; V93-F102 HydrophobicContact CG1-CB 4.14Å; V93-F102 HydrophobicContact CG1-CD1 3.99Å; V93-F102 HydrophobicContact CG1-CD2 4.08Å; V93-F102 HydrophobicContact CG1-CE1 4.45Å; V93-F102 HydrophobicContact CG1-CG 3.79Å; V93-F102 HydrophobicContact CG2-CD2 4.16Å; V93-F102 HydrophobicContact CG2-CE1 4.46Å; V93-F102 HydrophobicContact CG2-CE2 3.91Å; V93-F102 HydrophobicContact CG2-CZ 4.06Å; V93-F102 WeakPolarHBondContact O-CB 3.5Å; V93-R375 HydrophobicContact CG1-CB 4.17Å; V93-R375 HydrophobicContact CG1-CG 4.12Å; V93-I383 HydrophobicContact CG2-CD1 3.96Å; V93-V394 HydrophobicContact CG1-CB 4.3Å; V93-V394 HydrophobicContact CG1-CG1 4.04Å; V93-V394 HydrophobicContact CG2-CG1 4.15Å
94L98.5Very high98Very high0 Ų032.1 Ų32.10%016%0.158CC..Iπ-helixtrans-82.9-26.4-173.5-64-174.1000113.7I90 L373 R375 I396 G438I90-L94 HydrophobicContact CG2-CD1 3.59Å; I90-L94 HydrophobicContact CG2-CG 4.09Å; I90-L94 WeakPolarHBondContact O-CB 3.35Å; I90-L94 WeakPolarHBondContact O-CG 3.2Å; I90-L94 PolarHBondContact O-N 3.39Å; L94-L373 HydrophobicContact CD1-CD1 3.97Å; L94-R375 HydrophobicContact CD2-CG 4.14Å; L94-I396 HydrophobicContact CD1-CG1 4.49Å; L94-I396 HydrophobicContact CD2-CD1 3.85Å; L94-I396 HydrophobicContact CG-CD1 4.28Å; L94-G438 WeakPolarHBondContact O-CA 3.24Å
95V98.4Very high97.9Very high49 Ų4936 Ų3630%0.29717%0.173SC..Iπ-helixtrans-120.2-67.4-172.9-171.70000111.8K91 E97 C98 Y430K91-V95 WeakPolarHBondContact O-CA 3.42Å; K91-V95 VanDerWaalsContact O-CB 3.26Å; K91-V95 WeakPolarHBondContact O-CB 3.46Å; K91-V95 PolarHBondContact O-N 3.42Å; V95-E97 PolarHBondContact O-N 3.44Å; V95-C98 WeakPolarHBondContact O-CB 3.49Å; V95-C98 PolarHBondContact O-N 3.32Å; V95-Y430 HydrophobicContact CG2-CE1 3.85Å
96K98Very high97.7Very high128 Ų12837.8 Ų37.856%0.55718%0.179SC*.Iπ-helixtrans-61.7-48.4-168.4-60.4-177.9-179.1172.60111.9K91 T92K91-K96 PolarHBondContact O-N 2.96Å; T92-K96 HydrophobicContact CG2-CB 4.35Å; T92-K96 HydrophobicContact CG2-CD 4.38Å; T92-K96 PolarHBondContact O-N 3.17Å
97E97.8Very high97.2Very high62 Ų6239.1 Ų39.129%0.2919%0.19SC..THydrogen-bonded Turntrans-102.818.7-174.8-60.4-59.4143.600112.8T92 V95 Y99 S100 V101 F102T92-E97 HydrophobicContact CG2-CG 3.8Å; T92-E97 PolarHBondContact O-N 3.3Å; V95-E97 PolarHBondContact O-N 3.44Å; E97-Y99 PolarHBondContact O-N 3.13Å; E97-S100 WeakPolarHBondContact CA-OG 3.31Å; E97-S100 PolarHBondContact O-N 3.32Å; E97-S100 PolarHBondContact O-OG 3.09Å; E97-S100 WeakPolarHBondContact OE2-CB 3.2Å; E97-S100 PolarHBondContact OE2-OG 2.94Å; E97-V101 HydrophobicContact CB-CB 4.29Å; E97-V101 HydrophobicContact CB-CG2 4.28Å; E97-V101 PolarHBondContact O-N 3.23Å; E97-F102 HydrophobicContact CB-CD2 3.8Å; E97-F102 HydrophobicContact CB-CE2 4.12Å; E97-F102 PolarHBondContact O-N 3.45Å
98C97.8Very high96.4Very high0 Ų043.6 Ų43.60%021%0.208CC..THydrogen-bonded Turntrans-62-43.2-176.5-177.30000111.9V95 F102 T103 P439V95-C98 WeakPolarHBondContact O-CB 3.49Å; V95-C98 PolarHBondContact O-N 3.32Å; C98-F102 CarbonylContact O-C 3.54Å; C98-T103 WeakPolarHBondContact O-CA 3.48Å; C98-T103 PolarHBondContact O-N 3.01Å; C98-P439 HydrophobicContact CB-CG 4.2Å
99Y97.3Very high95.9Very high120 Ų12039.9 Ų39.947%0.47119%0.192SC..THydrogen-bonded Turntrans-87.1-22-177.8-62-59.9000113.2E97 W126 K127 K378 P439E97-Y99 PolarHBondContact O-N 3.13Å; Y99-W126 HydrophobicContact CD1-CZ3 4.05Å; Y99-W126 AromaticContact CE1-CH2 3.93Å; Y99-W126 HydrophobicContact CE1-CH2 3.93Å; Y99-W126 AromaticContact CE1-CZ3 3.69Å; Y99-W126 HydrophobicContact CE1-CZ3 3.69Å; Y99-K127 HydrophobicContact CD1-CD 4.24Å; Y99-K127 HydrophobicContact CD1-CG 4.38Å; Y99-K127 HydrophobicContact CE1-CD 4.36Å; Y99-K127 HydrophobicContact CE1-CG 4.18Å; Y99-K378 PolarHBondContact O-NZ 3.08Å; Y99-P439 HydrophobicContact CE1-CB 4.04Å; Y99-P439 HydrophobicContact CE1-CG 4.41Å; Y99-P439 HydrophobicContact CE2-CB 4.2Å; Y99-P439 HydrophobicContact CE2-CG 3.73Å; Y99-P439 WeakPolarHBondContact OH-CB 3.39Å
100S96.7Very high95.6Very high38 Ų3839.4 Ų39.427%0.26619%0.19SC..THydrogen-bonded Turntrans-96.2-32.5-170.654.10000114E97 K378 K379E97-S100 WeakPolarHBondContact CA-OG 3.31Å; E97-S100 PolarHBondContact O-N 3.32Å; E97-S100 PolarHBondContact O-OG 3.09Å; E97-S100 WeakPolarHBondContact OE2-CB 3.2Å; E97-S100 PolarHBondContact OE2-OG 2.94Å; S100-K378 WeakPolarHBondContact O-CE 3.41Å; S100-K378 PolarHBondContact O-NZ 3Å; S100-K379 VanDerWaalsContact O-CE 3.25Å; S100-K379 WeakPolarHBondContact O-CE 3.31Å
101V97.9Very high95.3Very high0 Ų040 Ų400%019%0.194CC..THydrogen-bonded Turntrans-133.8-47.4-177.5-175.70000112.2E97 K378 K379 V381E97-V101 HydrophobicContact CB-CB 4.29Å; E97-V101 HydrophobicContact CB-CG2 4.28Å; E97-V101 PolarHBondContact O-N 3.23Å; V101-K378 WeakPolarHBondContact O-CD 3.3Å; V101-K378 WeakPolarHBondContact O-CG 3.4Å; V101-K378 PolarHBondContact O-N 3.16Å; V101-K378 VanDerWaalsContact O-N 3.09Å; V101-K379 HydrophobicContact CG1-CG 4.19Å; V101-K379 HydrophobicContact CG2-CD 4.3Å; V101-K379 HydrophobicContact CG2-CG 4.04Å; V101-V381 HydrophobicContact CG1-CB 4.45Å; V101-V381 HydrophobicContact CG1-CG1 4.04Å; V101-V381 HydrophobicContact CG2-CB 4.44Å; V101-V381 HydrophobicContact CG2-CG2 4.29Å
102F98.4Very high95Very high0 Ų037.3 Ų37.30%019%0.187CC..  trans-108.548-166.9-61.3-72.5000112.3V93 E97 C98 R375 C377 V381 I383 I388 V394V93-F102 HydrophobicContact CB-CD2 4.2Å; V93-F102 HydrophobicContact CB-CE2 4.45Å; V93-F102 HydrophobicContact CB-CG 4.42Å; V93-F102 HydrophobicContact CG1-CB 4.14Å; V93-F102 HydrophobicContact CG1-CD1 3.99Å; V93-F102 HydrophobicContact CG1-CD2 4.08Å; V93-F102 HydrophobicContact CG1-CE1 4.45Å; V93-F102 HydrophobicContact CG1-CG 3.79Å; V93-F102 HydrophobicContact CG2-CD2 4.16Å; V93-F102 HydrophobicContact CG2-CE1 4.46Å; V93-F102 HydrophobicContact CG2-CE2 3.91Å; V93-F102 HydrophobicContact CG2-CZ 4.06Å; V93-F102 WeakPolarHBondContact O-CB 3.5Å; E97-F102 HydrophobicContact CB-CD2 3.8Å; E97-F102 HydrophobicContact CB-CE2 4.12Å; E97-F102 PolarHBondContact O-N 3.45Å; C98-F102 CarbonylContact O-C 3.54Å; F102-R375 HydrophobicContact CB-CB 3.84Å; F102-R375 HydrophobicContact CB-CG 4.13Å; F102-R375 HydrophobicContact CD1-CB 4.06Å; F102-R375 HydrophobicContact CG-CB 4.35Å; F102-R375 VanDerWaalsContact O-CD 3.31Å; F102-R375 WeakPolarHBondContact O-CD 3.46Å; F102-C377 HydrophobicContact CD1-CB 4.36Å; F102-C377 HydrophobicContact CE1-CB 3.72Å; F102-V381 HydrophobicContact CE2-CG1 4.35Å; F102-V381 HydrophobicContact CZ-CG1 3.9Å; F102-I383 HydrophobicContact CE2-CD1 3.37Å; F102-I383 HydrophobicContact CZ-CD1 3.52Å; F102-I388 HydrophobicContact CZ-CD1 4.35Å; F102-V394 HydrophobicContact CD1-CG2 4.25Å; F102-V394 HydrophobicContact CE1-CB 4.37Å; F102-V394 HydrophobicContact CE1-CG2 3.57Å; F102-V394 HydrophobicContact CZ-CG2 4.34Å
103T98.4Very high94.7Very high1 Ų139 Ų391%0.00619%0.194CC..  trans-67.9-49.6-176.4-25.40000111C98 D123 W126 K378 R440C98-T103 WeakPolarHBondContact O-CA 3.48Å; C98-T103 PolarHBondContact O-N 3.01Å; T103-D123 WeakPolarHBondContact CB-OD1 3.48Å; T103-D123 PolarHBondContact OG1-OD1 3.37Å; T103-W126 HydrophobicContact CG2-CE3 3.85Å; T103-W126 HydrophobicContact CG2-CZ3 3.97Å; T103-K378 PolarHBondContact OG1-NZ 3.41Å; T103-R440 WeakPolarHBondContact O-CD 3.3Å; T103-R440 VanDerWaalsContact O-CZ 3.32Å; T103-R440 PolarHBondContact O-NE 3.32Å; T103-R440 PolarHBondContact O-NH1 2.79Å
104N98.4Very high94.5Very high13 Ų1339.3 Ų39.37%0.0720%0.195CC..PPolyproline II helixtrans-98.2151.1-159.6-59.4-27.3000112.9E122 D123 R375 V376 R440N104-E122 HydrophobicContact CB-CG 4.14Å; N104-E122 PolarHBondContact ND2-OE2 3.07Å; N104-E122 WeakPolarHBondContact OD1-CA 3.45Å; N104-D123 PolarHBondContact ND2-OD2 2.89Å; N104-D123 PolarHBondContact OD1-N 3.3Å; N104-R375 CarbonylContact O-C 3.59Å; N104-R375 VanDerWaalsContact O-CA 3.27Å; N104-R375 WeakPolarHBondContact O-CA 3.39Å; N104-V376 PolarHBondContact O-N 3.04Å; N104-R440 PolarHBondContact OD1-NH1 2.93Å; N104-R440 VanDerWaalsContact OD1-NH1 3.13Å
105R97Very high94.3Very high82 Ų8244.7 Ų44.731%0.30922%0.218SC..PPolyproline II helixtrans-80.5167164-67.2-170179.286.55.5109.3S119 V376 R440R105-S119 PolarHBondContact NH1-O 3.11Å; R105-V376 WeakPolarHBondContact O-CG2 3.42Å; R105-R440 PolarHBondContact NH2-O 2.86Å
106R93Very high94.2Very high40 Ų4043.8 Ų43.815%0.15121%0.212CC..PPolyproline II helixtrans-64.6135.2177.7-173.4-174.4174.9-174.9-3.8111.2D76 E374 V376 V393D76-R106 IonicContact OD2-CZ 3.61Å; D76-R106 IonicContact OD2-NH1 3.34Å; D76-R106 PolarHBondContact OD2-NH1 2.9Å; D76-R106 IonicContact OD2-NH2 3.66Å; D76-R106 PolarHBondContact OD2-NH2 2.98Å; R106-E374 WeakPolarHBondContact CB-OE2 3.48Å; R106-V376 HydrophobicContact CB-CG2 4.48Å; R106-V393 HydrophobicContact CB-CG1 4.47Å; R106-V393 HydrophobicContact CB-CG2 4.13Å; R106-V393 HydrophobicContact CG-CG2 3.89Å
107P87.8Confident94.1Very high80 Ų8037.7 Ų37.752%0.51919%0.185SC..PPolyproline II helixtrans-60.9142.3169.8-23.433.9000112
108F79Confident94Very high111 Ų11135.3 Ų35.349%0.48717%0.174SC..  trans-108.15.2-171.2-136.7-104.5000114.4F213F108-F213 HydrophobicContact CD1-CE2 4Å; F108-F213 AromaticContact CD1-CZ 3.89Å; F108-F213 HydrophobicContact CD1-CZ 3.89Å; F108-F213 AromaticContact CE1-CD1 3.91Å; F108-F213 HydrophobicContact CE1-CD1 3.91Å; F108-F213 AromaticContact CE1-CD2 3.97Å; F108-F213 HydrophobicContact CE1-CD2 3.97Å; F108-F213 AromaticContact CE1-CE1 3.36Å; F108-F213 HydrophobicContact CE1-CE1 3.36Å; F108-F213 AromaticContact CE1-CE2 3.43Å; F108-F213 HydrophobicContact CE1-CE2 3.43Å; F108-F213 VanDerWaalsContact CE1-CE2 3.43Å; F108-F213 HydrophobicContact CE1-CG 4.19Å; F108-F213 AromaticContact CE1-CZ 3.08Å; F108-F213 HydrophobicContact CE1-CZ 3.08Å; F108-F213 HydrophobicContact CZ-CD1 4.12Å; F108-F213 AromaticContact CZ-CE1 3.51Å; F108-F213 HydrophobicContact CZ-CE1 3.51Å; F108-F213 HydrophobicContact CZ-CE2 4.4Å; F108-F213 AromaticContact CZ-CZ 3.68Å; F108-F213 HydrophobicContact CZ-CZ 3.68Å
109G87.8Confident93.9Very high16 Ų1637.1 Ų37.117%0.16519%0.187CC..SBendtrans109.2-160.4-174.800000112.5V111G109-V111 PolarHBondContact O-N 3.41Å
110P91.4Very high93.8Very high0 Ų033.6 Ų33.60%018%0.176CC..  trans-73.8118.4-179.231.6-35.4000110.2I223 T230 L233 E234 I238 T239 V240P110-I223 HydrophobicContact CG-CD1 3.93Å; P110-T230 HydrophobicContact CB-CG2 4.19Å; P110-L233 HydrophobicContact CB-CB 4.06Å; P110-L233 HydrophobicContact CG-CB 3.97Å; P110-L233 HydrophobicContact CG-CD1 4.12Å; P110-E234 WeakPolarHBondContact CA-OE1 3.35Å; P110-E234 HydrophobicContact CB-CG 3.77Å; P110-I238 VanDerWaalsContact CB-O 3.3Å; P110-I238 WeakPolarHBondContact CB-O 3.32Å; P110-T239 CarbonylContact O-C 3.5Å; P110-T239 VanDerWaalsContact O-CA 3.24Å; P110-T239 WeakPolarHBondContact O-CA 3.46Å; P110-V240 HydrophobicContact CG-CG1 4.28Å; P110-V240 PolarHBondContact O-N 2.79Å
111V91.8Very high93.8Very high12 Ų1231.9 Ų31.97%0.07316%0.164CC..  trans-119.3-12-172.8-68.50000112.5G109 M114 K115 I120 E234 V240 F241G109-V111 PolarHBondContact O-N 3.41Å; V111-M114 HydrophobicContact CB-CB 4.29Å; V111-M114 WeakPolarHBondContact O-CB 3.46Å; V111-M114 PolarHBondContact O-N 3.31Å; V111-K115 HydrophobicContact CG2-CB 3.75Å; V111-I120 HydrophobicContact CG1-CD1 4.48Å; V111-I120 HydrophobicContact CG2-CG2 4.41Å; V111-E234 PolarHBondContact N-OE1 3.39Å; V111-V240 HydrophobicContact CG1-CG2 4.1Å; V111-F241 HydrophobicContact CB-CE2 3.95Å; V111-F241 HydrophobicContact CG1-CE2 3.78Å
112G92.5Very high93.8Very high18 Ų1836.1 Ų36.119%0.18618%0.184CC..G310 helixtrans60.5-137.3-178.800000111.2M114 K115 E234G112-M114 PolarHBondContact O-N 3.47Å; G112-M114 VanDerWaalsContact O-N 3.11Å; G112-K115 WeakPolarHBondContact O-CB 3.43Å; G112-K115 VanDerWaalsContact O-CG 3.26Å; G112-K115 WeakPolarHBondContact O-CG 3.35Å; G112-K115 PolarHBondContact O-N 2.91Å; G112-K115 VanDerWaalsContact O-N 3.11Å; G112-E234 PolarHBondContact N-OE1 2.63Å
113F93.3Very high93.7Very high50 Ų5038.6 Ų38.622%0.21920%0.197CC..G310 helixtrans-64.8-17.1-178.882-91.9000113.9K115 N116 I246 L293 M296 A297 I300F113-K115 PolarHBondContact O-N 3.09Å; F113-K115 VanDerWaalsContact O-N 3.13Å; F113-N116 WeakPolarHBondContact O-CB 3.45Å; F113-N116 PolarHBondContact O-N 3.46Å; F113-N116 VanDerWaalsContact O-N 3.12Å; F113-I246 HydrophobicContact CE1-CG2 3.37Å; F113-I246 HydrophobicContact CZ-CG2 3.59Å; F113-L293 HydrophobicContact CB-CD1 4.44Å; F113-L293 HydrophobicContact CB-CD2 4.33Å; F113-L293 HydrophobicContact CD2-CD2 4.39Å; F113-L293 HydrophobicContact CG-CD2 4.3Å; F113-M296 HydrophobicContact CE2-CB 4.01Å; F113-A297 HydrophobicContact CD2-CB 4.18Å; F113-A297 HydrophobicContact CE2-CB 4.26Å; F113-I300 HydrophobicContact CE2-CD1 4.28Å; F113-I300 HydrophobicContact CZ-CD1 3.93Å
114M94.3Very high93.6Very high5 Ų544.4 Ų44.43%0.02522%0.224CC..G310 helixtrans-65.5-11.5174.7-68.1-61.5-63.300112.9V111 G112 N116 A117 I120 F241 I246 A297 I300V111-M114 HydrophobicContact CB-CB 4.29Å; V111-M114 WeakPolarHBondContact O-CB 3.46Å; V111-M114 PolarHBondContact O-N 3.31Å; G112-M114 PolarHBondContact O-N 3.47Å; G112-M114 VanDerWaalsContact O-N 3.11Å; M114-N116 PolarHBondContact O-N 3.46Å; M114-N116 VanDerWaalsContact O-N 3.09Å; M114-A117 HydrophobicContact CE-CB 4.05Å; M114-A117 VanDerWaalsContact O-CB 3.26Å; M114-A117 WeakPolarHBondContact O-CB 3.37Å; M114-A117 PolarHBondContact O-N 3.32Å; M114-I120 HydrophobicContact CB-CD1 4.37Å; M114-I120 WeakPolarHBondContact O-CD1 3.44Å; M114-F241 HydrophobicContact CB-CD2 4.06Å; M114-F241 HydrophobicContact CB-CE2 3.62Å; M114-F241 HydrophobicContact CB-CZ 4.44Å; M114-F241 HydrophobicContact CG-CD2 3.88Å; M114-F241 HydrophobicContact CG-CE2 3.85Å; M114-I246 HydrophobicContact CG-CD1 4.33Å; M114-I246 HydrophobicContact SD-CD1 4.38Å; M114-A297 HydrophobicContact SD-CB 4.21Å; M114-I300 HydrophobicContact CE-CB 4.02Å; M114-I300 HydrophobicContact CE-CG2 3.72Å; M114-I300 HydrophobicContact SD-CB 4.19Å; M114-I300 HydrophobicContact SD-CD1 3.94Å; M114-I300 HydrophobicContact SD-CG2 4.13Å
115K94.1Very high93.4Very high113 Ų11346.8 Ų46.849%0.49124%0.235SC..G310 helixtrans-54.2-25.7168.371.9-170.6179.2-178.90113.1V111 G112 F113 A117 A121V111-K115 HydrophobicContact CG2-CB 3.75Å; G112-K115 WeakPolarHBondContact O-CB 3.43Å; G112-K115 VanDerWaalsContact O-CG 3.26Å; G112-K115 WeakPolarHBondContact O-CG 3.35Å; G112-K115 PolarHBondContact O-N 2.91Å; G112-K115 VanDerWaalsContact O-N 3.11Å; F113-K115 PolarHBondContact O-N 3.09Å; F113-K115 VanDerWaalsContact O-N 3.13Å; K115-A117 VanDerWaalsContact C-N 3.33Å; K115-A121 VanDerWaalsContact O-CA 3.32Å; K115-A121 WeakPolarHBondContact O-CA 3.42Å; K115-A121 PolarHBondContact O-N 3.02Å
116N94.8Very high93.4Very high30 Ų3043 Ų4316%0.1622%0.221CC..G310 helixtrans-80.4-10.6178-63.2-13.2000113F113 M114 I129 E294 A297 Q298F113-N116 WeakPolarHBondContact O-CB 3.45Å; F113-N116 PolarHBondContact O-N 3.46Å; F113-N116 VanDerWaalsContact O-N 3.12Å; M114-N116 PolarHBondContact O-N 3.46Å; M114-N116 VanDerWaalsContact O-N 3.09Å; N116-I129 VanDerWaalsContact O-CD1 3.24Å; N116-I129 WeakPolarHBondContact O-CD1 3.45Å; N116-E294 HydrophobicContact CB-CB 4.49Å; N116-E294 HydrophobicContact CB-CG 3.7Å; N116-A297 HydrophobicContact CB-CB 4.21Å; N116-Q298 PolarHBondContact O-NE2 3.15Å
117A96.1Very high93.5Very high0 Ų044 Ų440%023%0.226CC..SBendtrans-64.9138.1178.200000110.7M114 K115 S119 I120 A121 A297 I301M114-A117 HydrophobicContact CE-CB 4.05Å; M114-A117 VanDerWaalsContact O-CB 3.26Å; M114-A117 WeakPolarHBondContact O-CB 3.37Å; M114-A117 PolarHBondContact O-N 3.32Å; K115-A117 VanDerWaalsContact C-N 3.33Å; A117-S119 PolarHBondContact O-N 2.85Å; A117-I120 HydrophobicContact CB-CD1 4.39Å; A117-I120 CarbonylContact O-C 3.33Å; A117-I120 WeakPolarHBondContact O-CA 3.47Å; A117-I120 PolarHBondContact O-N 3.13Å; A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 3.26Å; A117-A297 HydrophobicContact CB-CB 4.11Å; A117-I301 HydrophobicContact CB-CB 4.31Å; A117-I301 HydrophobicContact CB-CG2 4.28Å
118I96.5Very high93.8Very high13 Ų1341.9 Ų41.97%0.06721%0.208CC..THydrogen-bonded Turntrans-54.3-27.1-176.6-170.7172.4000114.4I120 W126 I129 R130 L133 I301 F302 I443I118-I120 VanDerWaalsContact C-N 3.33Å; I118-W126 VanDerWaalsContact O-CD1 3.28Å; I118-I129 HydrophobicContact CB-CG2 3.8Å; I118-I129 HydrophobicContact CD1-CG2 4.2Å; I118-I129 HydrophobicContact CG1-CG2 4.06Å; I118-R130 HydrophobicContact CD1-CB 4.02Å; I118-R130 HydrophobicContact CD1-CG 4.49Å; I118-L133 HydrophobicContact CB-CD1 4.37Å; I118-L133 HydrophobicContact CD1-CD1 3.98Å; I118-L133 HydrophobicContact CG2-CD1 4.39Å; I118-I301 HydrophobicContact CG2-CG2 4.2Å; I118-F302 HydrophobicContact CG2-CE2 4.31Å; I118-I443 HydrophobicContact CD1-CD1 4Å
119S95.6Very high94.5Very high37 Ų3736.6 Ų36.626%0.25918%0.184SC..THydrogen-bonded Turntrans-72.6-27.6176.8550000112.9R105 A117 I301R105-S119 PolarHBondContact NH1-O 3.11Å; A117-S119 PolarHBondContact O-N 2.85Å; S119-I301 WeakPolarHBondContact OG-CD1 3.47Å; S119-I301 WeakPolarHBondContact OG-CG1 3.31Å
120I96.1Very high94.9Very high46 Ų4637.7 Ų37.724%0.23618%0.184CC..THydrogen-bonded Turntrans-107.1-37.9-172.2-59.1168.4000112V111 M114 A117 I118 F241V111-I120 HydrophobicContact CG1-CD1 4.48Å; V111-I120 HydrophobicContact CG2-CG2 4.41Å; M114-I120 HydrophobicContact CB-CD1 4.37Å; M114-I120 WeakPolarHBondContact O-CD1 3.44Å; A117-I120 HydrophobicContact CB-CD1 4.39Å; A117-I120 CarbonylContact O-C 3.33Å; A117-I120 WeakPolarHBondContact O-CA 3.47Å; A117-I120 PolarHBondContact O-N 3.13Å; I118-I120 VanDerWaalsContact C-N 3.33Å; I120-F241 HydrophobicContact CD1-CE2 4.45Å; I120-F241 HydrophobicContact CD1-CZ 4.24Å
121A96.6Very high94.9Very high3 Ų340.6 Ų40.63%0.02520%0.204CC..  trans-48.7152-178.100000112.6K115 A117 E125 W126 I129 R440K115-A121 VanDerWaalsContact O-CA 3.32Å; K115-A121 WeakPolarHBondContact O-CA 3.42Å; K115-A121 PolarHBondContact O-N 3.02Å; A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 3.26Å; A121-E125 HydrophobicContact CB-CG 4.35Å; A121-W126 HydrophobicContact CB-CB 4.18Å; A121-W126 WeakPolarHBondContact O-CB 3.4Å; A121-I129 HydrophobicContact CB-CD1 3.97Å; A121-R440 PolarHBondContact O-NH2 3.23Å
122E96.8Very high94.7Very high88 Ų8841.8 Ų41.841%0.41121%0.21SC..  trans-120.1151.2-170.8-66.9-170.9-165.200112.4N104 E124 E125 W126N104-E122 HydrophobicContact CB-CG 4.14Å; N104-E122 PolarHBondContact ND2-OE2 3.07Å; N104-E122 WeakPolarHBondContact OD1-CA 3.45Å; E122-E124 PolarHBondContact O-N 3.04Å; E122-E125 WeakPolarHBondContact O-CB 3.28Å; E122-E125 PolarHBondContact O-N 3Å; E122-E125 VanDerWaalsContact O-N 3.11Å; E122-W126 PolarHBondContact O-N 2.74Å; E122-W126 VanDerWaalsContact O-N 3.16Å
123D96.9Very high94.6Very high52 Ų5241 Ų4128%0.27820%0.202SC..Hα-helixtrans45-122172.9-62.1-63.8000115.1T103 N104 E125 W126 K127 K378T103-D123 WeakPolarHBondContact CB-OD1 3.48Å; T103-D123 PolarHBondContact OG1-OD1 3.37Å; N104-D123 PolarHBondContact ND2-OD2 2.89Å; N104-D123 PolarHBondContact OD1-N 3.3Å; D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 2.82Å; D123-W126 PolarHBondContact O-N 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.37Å; D123-K378 IonicContact OD1-NZ 3.9Å
124E95.6Very high94.5Very high124 Ų12441.1 Ų41.158%0.57921%0.208SC*.Hα-helixtrans-64.4-32.1-176.1-63.5-50.712800112.4E122 K127 R128E122-E124 PolarHBondContact O-N 3.04Å; E124-K127 PolarHBondContact O-N 3.29Å; E124-K127 WeakPolarHBondContact OE1-CE 3.4Å; E124-K127 IonicContact OE1-NZ 2.54Å; E124-K127 PolarHBondContact OE1-NZ 3.48Å; E124-K127 IonicContact OE2-NZ 2.93Å; E124-R128 WeakPolarHBondContact O-CB 3.49Å; E124-R128 PolarHBondContact O-N 2.86Å
125E94.9Very high94.3Very high62 Ų6243.8 Ų43.829%0.2923%0.226SC..Hα-helixtrans-67.4-43177.5-176.359.4-166.300110.7A121 E122 D123 R128 I129A121-E125 HydrophobicContact CB-CG 4.35Å; E122-E125 WeakPolarHBondContact O-CB 3.28Å; E122-E125 PolarHBondContact O-N 3Å; E122-E125 VanDerWaalsContact O-N 3.11Å; D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 2.82Å; E125-R128 PolarHBondContact O-N 3.48Å; E125-R128 IonicContact OE1-CZ 3.74Å; E125-R128 IonicContact OE1-NE 2.82Å; E125-R128 IonicContact OE1-NH2 3.42Å; E125-R128 PolarHBondContact OE1-NH2 3.41Å; E125-R128 IonicContact OE2-CZ 3.68Å; E125-R128 IonicContact OE2-NE 3.94Å; E125-R128 PolarHBondContact OE2-NE 2.9Å; E125-R128 VanDerWaalsContact OE2-NE 3.07Å; E125-R128 IonicContact OE2-NH2 3.74Å; E125-R128 PolarHBondContact OE2-NH2 2.98Å; E125-I129 HydrophobicContact CG-CD1 3.98Å; E125-I129 VanDerWaalsContact O-CG1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.49Å; E125-I129 PolarHBondContact O-N 3.16Å; E125-I129 WeakPolarHBondContact OE1-CD1 3.24Å
126W97.2Very high93.8Very high4 Ų438.6 Ų38.62%0.01520%0.204CC..Hα-helixtrans-61.8-44171.416672.8000112.3Y99 T103 I118 A121 E122 D123 R128 I129 R130 P439 R440Y99-W126 HydrophobicContact CD1-CZ3 4.05Å; Y99-W126 AromaticContact CE1-CH2 3.93Å; Y99-W126 HydrophobicContact CE1-CH2 3.93Å; Y99-W126 AromaticContact CE1-CZ3 3.69Å; Y99-W126 HydrophobicContact CE1-CZ3 3.69Å; T103-W126 HydrophobicContact CG2-CE3 3.85Å; T103-W126 HydrophobicContact CG2-CZ3 3.97Å; I118-W126 VanDerWaalsContact O-CD1 3.28Å; A121-W126 HydrophobicContact CB-CB 4.18Å; A121-W126 WeakPolarHBondContact O-CB 3.4Å; E122-W126 PolarHBondContact O-N 2.74Å; E122-W126 VanDerWaalsContact O-N 3.16Å; D123-W126 PolarHBondContact O-N 3.32Å; W126-R128 VanDerWaalsContact C-N 3.34Å; W126-R128 PolarHBondContact O-N 3.43Å; W126-I129 PolarHBondContact O-N 2.75Å; W126-R130 HydrophobicContact CZ2-CB 4.4Å; W126-R130 HydrophobicContact CZ2-CG 4.21Å; W126-R130 WeakPolarHBondContact O-CB 3.29Å; W126-R130 PolarHBondContact O-N 3.02Å; W126-P439 HydrophobicContact CH2-CB 3.98Å; W126-P439 WeakPolarHBondContact CZ2-O 3.43Å; W126-R440 HydrophobicContact CD2-CG 4.49Å; W126-R440 HydrophobicContact CH2-CB 3.92Å; W126-R440 HydrophobicContact CH2-CG 4.24Å; W126-R440 HydrophobicContact CZ2-CB 3.5Å; W126-R440 VanDerWaalsContact CZ2-CB 3.5Å; W126-R440 HydrophobicContact CZ2-CG 3.49Å; W126-R440 VanDerWaalsContact CZ2-CG 3.49Å
127K95.6Very high93.5Very high61 Ų6138.1 Ų38.127%0.26520%0.2SC..Hα-helixtrans-60.1-45.5178.1-70.6178-172.3168.70111.2Y99 D123 E124 R130 S131Y99-K127 HydrophobicContact CD1-CD 4.24Å; Y99-K127 HydrophobicContact CD1-CG 4.38Å; Y99-K127 HydrophobicContact CE1-CD 4.36Å; Y99-K127 HydrophobicContact CE1-CG 4.18Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.37Å; E124-K127 PolarHBondContact O-N 3.29Å; E124-K127 WeakPolarHBondContact OE1-CE 3.4Å; E124-K127 IonicContact OE1-NZ 2.54Å; E124-K127 PolarHBondContact OE1-NZ 3.48Å; E124-K127 IonicContact OE2-NZ 2.93Å; K127-R130 PolarHBondContact O-N 2.95Å; K127-S131 WeakPolarHBondContact O-CB 3.32Å; K127-S131 PolarHBondContact O-N 3.47Å
128R93.7Very high93.3Very high34 Ų3441.1 Ų41.113%0.12822%0.218CC..Hα-helixtrans-58.7-55.7177.5-175.4-174.171.589.4-1111E124 E125 W126 R130 S131 L132 K288 A289 E294E124-R128 WeakPolarHBondContact O-CB 3.49Å; E124-R128 PolarHBondContact O-N 2.86Å; E125-R128 PolarHBondContact O-N 3.48Å; E125-R128 IonicContact OE1-CZ 3.74Å; E125-R128 IonicContact OE1-NE 2.82Å; E125-R128 IonicContact OE1-NH2 3.42Å; E125-R128 PolarHBondContact OE1-NH2 3.41Å; E125-R128 IonicContact OE2-CZ 3.68Å; E125-R128 IonicContact OE2-NE 3.94Å; E125-R128 PolarHBondContact OE2-NE 2.9Å; E125-R128 VanDerWaalsContact OE2-NE 3.07Å; E125-R128 IonicContact OE2-NH2 3.74Å; E125-R128 PolarHBondContact OE2-NH2 2.98Å; W126-R128 VanDerWaalsContact C-N 3.34Å; W126-R128 PolarHBondContact O-N 3.43Å; R128-R130 VanDerWaalsContact C-N 3.33Å; R128-R130 PolarHBondContact O-N 3.37Å; R128-S131 PolarHBondContact O-N 2.68Å; R128-L132 HydrophobicContact CG-CD1 4.13Å; R128-L132 WeakPolarHBondContact O-CG 3.48Å; R128-L132 PolarHBondContact O-N 3.14Å; R128-K288 PolarHBondContact NH1-O 2.81Å; R128-A289 PolarHBondContact NH1-O 2.87Å; R128-A289 VanDerWaalsContact NH1-O 3.12Å; R128-E294 IonicContact CZ-OE2 3.23Å; R128-E294 IonicContact NH1-OE2 3.85Å; R128-E294 IonicContact NH2-OE1 3.78Å; R128-E294 IonicContact NH2-OE2 2.76Å; R128-E294 PolarHBondContact NH2-OE2 2.91Å
129I93.6Very high93Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-61.3-43.5179.9-62.5164.5000110.3N116 I118 A121 E125 W126 S131 L132 L133 L290 Q298N116-I129 VanDerWaalsContact O-CD1 3.24Å; N116-I129 WeakPolarHBondContact O-CD1 3.45Å; I118-I129 HydrophobicContact CB-CG2 3.8Å; I118-I129 HydrophobicContact CD1-CG2 4.2Å; I118-I129 HydrophobicContact CG1-CG2 4.06Å; A121-I129 HydrophobicContact CB-CD1 3.97Å; E125-I129 HydrophobicContact CG-CD1 3.98Å; E125-I129 VanDerWaalsContact O-CG1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.49Å; E125-I129 PolarHBondContact O-N 3.16Å; E125-I129 WeakPolarHBondContact OE1-CD1 3.24Å; W126-I129 PolarHBondContact O-N 2.75Å; I129-S131 VanDerWaalsContact C-N 3.34Å; I129-S131 PolarHBondContact O-N 2.93Å; I129-L132 PolarHBondContact O-N 3.47Å; I129-L133 HydrophobicContact CG2-CD1 3.79Å; I129-L133 HydrophobicContact CG2-CG 4.06Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 2.98Å; I129-L290 HydrophobicContact CG1-CD2 4.35Å; I129-Q298 HydrophobicContact CG2-CG 4.4Å
130R95Very high92.7Very high39 Ų3943.2 Ų43.215%0.14724%0.241CC..Hα-helixtrans-60.3-43.2178.2-178.763-178.4-132.3-3111.8I118 W126 K127 R128 L133 S134 N441I118-R130 HydrophobicContact CD1-CB 4.02Å; I118-R130 HydrophobicContact CD1-CG 4.49Å; W126-R130 HydrophobicContact CZ2-CB 4.4Å; W126-R130 HydrophobicContact CZ2-CG 4.21Å; W126-R130 WeakPolarHBondContact O-CB 3.29Å; W126-R130 PolarHBondContact O-N 3.02Å; K127-R130 PolarHBondContact O-N 2.95Å; R128-R130 VanDerWaalsContact C-N 3.33Å; R128-R130 PolarHBondContact O-N 3.37Å; R130-L133 PolarHBondContact O-N 3.11Å; R130-S134 WeakPolarHBondContact O-CB 3.49Å; R130-S134 PolarHBondContact O-N 3.48Å; R130-S134 PolarHBondContact O-OG 3.13Å; R130-N441 PolarHBondContact NH1-O 2.67Å; R130-N441 PolarHBondContact NH2-OD1 2.96Å
131S91.6Very high92.3Very high61 Ų6143.1 Ų43.143%0.42724%0.239SC..Hα-helixtrans-61.6-45.3176.6-168.80000111.2K127 R128 I129 L133 P135K127-S131 WeakPolarHBondContact O-CB 3.32Å; K127-S131 PolarHBondContact O-N 3.47Å; R128-S131 PolarHBondContact O-N 2.68Å; I129-S131 VanDerWaalsContact C-N 3.34Å; I129-S131 PolarHBondContact O-N 2.93Å; S131-L133 PolarHBondContact O-N 3.05Å; S131-P135 VanDerWaalsContact O-CD 3.32Å; S131-P135 WeakPolarHBondContact O-CD 3.31Å
132L89.3Confident92Very high37 Ų3743.1 Ų43.119%0.19424%0.238CC..Hα-helixtrans-64.7-38.7-179.9-70.3170.9000113R128 I129 P135 H287 L290R128-L132 HydrophobicContact CG-CD1 4.13Å; R128-L132 WeakPolarHBondContact O-CG 3.48Å; R128-L132 PolarHBondContact O-N 3.14Å; I129-L132 PolarHBondContact O-N 3.47Å; L132-P135 WeakPolarHBondContact O-CD 3.4Å; L132-H287 HydrophobicContact CD2-CB 4.48Å; L132-L290 HydrophobicContact CD1-CD2 3.92Å; L132-L290 HydrophobicContact CD1-CG 4.03Å
133L90.4Very high91.8Very high3 Ų343.2 Ų43.22%0.01624%0.238CC..Hα-helixtrans-87.8-19.4-175.9-58.3-173.2000114I118 I129 R130 S131 P135 T136 F271 M275 L290 Q298 F302 I443I118-L133 HydrophobicContact CB-CD1 4.37Å; I118-L133 HydrophobicContact CD1-CD1 3.98Å; I118-L133 HydrophobicContact CG2-CD1 4.39Å; I129-L133 HydrophobicContact CG2-CD1 3.79Å; I129-L133 HydrophobicContact CG2-CG 4.06Å; I129-L133 WeakPolarHBondContact O-CG 3.39Å; I129-L133 PolarHBondContact O-N 2.98Å; R130-L133 PolarHBondContact O-N 3.11Å; S131-L133 PolarHBondContact O-N 3.05Å; L133-P135 VanDerWaalsContact C-CD 3.45Å; L133-T136 VanDerWaalsContact O-CB 3.22Å; L133-T136 WeakPolarHBondContact O-CB 3.33Å; L133-T136 PolarHBondContact O-N 3.17Å; L133-T136 VanDerWaalsContact O-N 3.16Å; L133-T136 PolarHBondContact O-OG1 3.42Å; L133-F271 HydrophobicContact CB-CE2 4.42Å; L133-F271 HydrophobicContact CD1-CE2 4.17Å; L133-F271 HydrophobicContact CD1-CZ 4.15Å; L133-F271 HydrophobicContact CD2-CE2 3.75Å; L133-F271 HydrophobicContact CD2-CZ 4.1Å; L133-F271 HydrophobicContact CG-CE2 4.31Å; L133-M275 HydrophobicContact CD2-CG 3.95Å; L133-M275 HydrophobicContact CD2-SD 4.42Å; L133-L290 HydrophobicContact CD2-CD1 4.43Å; L133-Q298 HydrophobicContact CD1-CB 4.28Å; L133-Q298 HydrophobicContact CD1-CG 3.86Å; L133-F302 HydrophobicContact CD1-CE2 3.91Å; L133-F302 HydrophobicContact CD1-CZ 4.02Å; L133-I443 HydrophobicContact CB-CD1 3.85Å
134S90.8Very high91.4Very high51 Ų5144.7 Ų44.736%0.35724%0.243SC..G310 helixtrans-57.7-37.9-176.5-68.50000114.6R130 T136 F137R130-S134 WeakPolarHBondContact O-CB 3.49Å; R130-S134 PolarHBondContact O-N 3.48Å; R130-S134 PolarHBondContact O-OG 3.13Å; S134-T136 PolarHBondContact O-N 3.49Å; S134-T136 VanDerWaalsContact O-N 3.11Å; S134-F137 PolarHBondContact O-N 2.98Å
135P88.5Confident91.2Very high62 Ų6239 Ų3940%0.40322%0.216SC..G310 helixtrans-56.8-24.2176.3-28.737000115.3S131 L132 L133 F137 T138S131-P135 VanDerWaalsContact O-CD 3.32Å; S131-P135 WeakPolarHBondContact O-CD 3.31Å; L132-P135 WeakPolarHBondContact O-CD 3.4Å; L133-P135 VanDerWaalsContact C-CD 3.45Å; P135-F137 PolarHBondContact O-N 3.03Å; P135-T138 VanDerWaalsContact O-CG2 3.32Å; P135-T138 WeakPolarHBondContact O-CG2 3.41Å; P135-T138 PolarHBondContact O-N 3.44Å; P135-T138 PolarHBondContact O-OG1 2.76Å; P135-T138 VanDerWaalsContact O-OG1 3.12Å
136T85.4Confident91.1Very high3 Ų336.5 Ų36.52%0.01821%0.205CC..G310 helixtrans-56.2-35.9178.7-490000112.8L133 S134 K141 F271 L274L133-T136 VanDerWaalsContact O-CB 3.22Å; L133-T136 WeakPolarHBondContact O-CB 3.33Å; L133-T136 PolarHBondContact O-N 3.17Å; L133-T136 VanDerWaalsContact O-N 3.16Å; L133-T136 PolarHBondContact O-OG1 3.42Å; S134-T136 PolarHBondContact O-N 3.49Å; S134-T136 VanDerWaalsContact O-N 3.11Å; T136-K141 WeakPolarHBondContact O-CB 3.45Å; T136-F271 HydrophobicContact CG2-CB 3.91Å; T136-F271 HydrophobicContact CG2-CD2 3.52Å; T136-F271 HydrophobicContact CG2-CE2 4.46Å; T136-F271 HydrophobicContact CG2-CG 4.17Å; T136-F271 WeakPolarHBondContact OG1-CD2 3.34Å; T136-L274 HydrophobicContact CG2-CD1 4.27Å; T136-L274 WeakPolarHBondContact OG1-CD1 3.14Å
137F88.3Confident90.9Very high20 Ų2040.4 Ų40.49%0.08823%0.231CC..G310 helixtrans-110.326.7-170.1-60.1-67.4000113.3S134 P135 L142 F302 I443 F447S134-F137 PolarHBondContact O-N 2.98Å; P135-F137 PolarHBondContact O-N 3.03Å; F137-L142 HydrophobicContact CD1-CD2 4.33Å; F137-F302 HydrophobicContact CE2-CD1 4.36Å; F137-F302 AromaticContact CE2-CE1 3.32Å; F137-F302 HydrophobicContact CE2-CE1 3.32Å; F137-F302 AromaticContact CE2-CZ 3.76Å; F137-F302 HydrophobicContact CE2-CZ 3.76Å; F137-F302 AromaticContact CZ-CD1 3.91Å; F137-F302 HydrophobicContact CZ-CD1 3.91Å; F137-F302 AromaticContact CZ-CE1 3.27Å; F137-F302 HydrophobicContact CZ-CE1 3.27Å; F137-F302 HydrophobicContact CZ-CZ 4.15Å; F137-I443 HydrophobicContact CD2-CD1 4.41Å; F137-I443 HydrophobicContact CD2-CG1 3.95Å; F137-I443 HydrophobicContact CD2-CG2 4.4Å; F137-I443 WeakPolarHBondContact CD2-O 3.24Å; F137-I443 HydrophobicContact CE2-CG1 4.27Å; F137-I443 HydrophobicContact CE2-CG2 3.93Å; F137-F447 HydrophobicContact CD1-CB 3.61Å; F137-F447 HydrophobicContact CD1-CD2 4.49Å; F137-F447 HydrophobicContact CD1-CG 4.24Å; F137-F447 HydrophobicContact CE1-CB 3.65Å; F137-F447 HydrophobicContact CE1-CD1 4.49Å; F137-F447 HydrophobicContact CE1-CD2 4.2Å; F137-F447 AromaticContact CE1-CG 3.87Å; F137-F447 HydrophobicContact CE1-CG 3.87Å
138T90.8Very high90.7Very high63 Ų6338.9 Ų38.939%0.38723%0.226SC..SBendtrans-68.5158.317256.70000111.4P135 G140 K141 L142P135-T138 VanDerWaalsContact O-CG2 3.32Å; P135-T138 WeakPolarHBondContact O-CG2 3.41Å; P135-T138 PolarHBondContact O-N 3.44Å; P135-T138 PolarHBondContact O-OG1 2.76Å; P135-T138 VanDerWaalsContact O-OG1 3.12Å; T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 2.95Å; T138-K141 PolarHBondContact O-N 3.43Å; T138-K141 WeakPolarHBondContact OG1-CG 3.24Å; T138-L142 WeakPolarHBondContact O-CG 3.42Å; T138-L142 PolarHBondContact O-N 2.96Å
139S89.6Confident90.8Very high53 Ų5337.4 Ų37.437%0.37122%0.22SC..Hα-helixtrans-56.1-40.9-179.5-47.80000112.3L142 K143 R446S139-L142 PolarHBondContact O-N 3.4Å; S139-K143 WeakPolarHBondContact O-CG 3.47Å; S139-K143 PolarHBondContact O-N 2.98Å; S139-R446 PolarHBondContact OG-NH1 2.97Å; S139-R446 PolarHBondContact OG-NH2 3.12Å
140G89.6Confident90.8Very high42 Ų4238.3 Ų38.343%0.43323%0.228SC..Hα-helixtrans-62.5-47.6178.600000112.5T138 L142 K143 E144T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 2.95Å; G140-L142 PolarHBondContact O-N 3.34Å; G140-K143 WeakPolarHBondContact O-CB 3.47Å; G140-K143 PolarHBondContact O-N 3.2Å; G140-E144 PolarHBondContact O-N 3.09Å
141K88.4Confident90.7Very high43 Ų4341.8 Ų41.819%0.18725%0.246CC..Hα-helixtrans-66.1-36.4177.7-65.8-55.4177.9-161.40113.3T136 T138 E144 M145T136-K141 WeakPolarHBondContact O-CB 3.45Å; T138-K141 PolarHBondContact O-N 3.43Å; T138-K141 WeakPolarHBondContact OG1-CG 3.24Å; K141-E144 VanDerWaalsContact NZ-CD 3.3Å; K141-E144 IonicContact NZ-OE1 3.71Å; K141-E144 PolarHBondContact NZ-OE1 3.13Å; K141-E144 IonicContact NZ-OE2 2.69Å; K141-E144 PolarHBondContact NZ-OE2 2.94Å; K141-E144 PolarHBondContact O-N 3.46Å; K141-M145 WeakPolarHBondContact O-CG 3.44Å; K141-M145 PolarHBondContact O-N 3.38Å; K141-M145 VanDerWaalsContact O-N 3.12Å
142L90.8Very high90.9Very high3 Ų339.4 Ų39.42%0.01623%0.227CC..Hα-helixtrans-63.9-41.2172.8-65.6175.4000112F137 T138 S139 G140 E144 M145 V146 Y347 R446 F447F137-L142 HydrophobicContact CD1-CD2 4.33Å; T138-L142 WeakPolarHBondContact O-CG 3.42Å; T138-L142 PolarHBondContact O-N 2.96Å; S139-L142 PolarHBondContact O-N 3.4Å; G140-L142 PolarHBondContact O-N 3.34Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-E144 PolarHBondContact O-N 3.03Å; L142-M145 HydrophobicContact CD2-SD 4.38Å; L142-M145 WeakPolarHBondContact O-CB 3.36Å; L142-M145 PolarHBondContact O-N 3.45Å; L142-M145 VanDerWaalsContact O-N 3.07Å; L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.48Å; L142-Y347 HydrophobicContact CB-CD2 4.48Å; L142-Y347 HydrophobicContact CB-CE2 3.77Å; L142-R446 HydrophobicContact CD1-CB 3.58Å; L142-F447 HydrophobicContact CD2-CB 3.8Å; L142-F447 HydrophobicContact CD2-CD2 3.98Å; L142-F447 HydrophobicContact CD2-CG 4.41Å
143K91.9Very high91.2Very high91 Ų9137.6 Ų37.640%0.39622%0.218SC..Hα-helixtrans-59.3-43.2174.2-75.8-172.1179.5-142.30111.6S139 G140 M145 V146 Y347 D348S139-K143 WeakPolarHBondContact O-CG 3.47Å; S139-K143 PolarHBondContact O-N 2.98Å; G140-K143 WeakPolarHBondContact O-CB 3.47Å; G140-K143 PolarHBondContact O-N 3.2Å; K143-M145 PolarHBondContact O-N 3.27Å; K143-V146 PolarHBondContact O-N 2.99Å; K143-Y347 HydrophobicContact CD-CD1 4.15Å; K143-Y347 HydrophobicContact CD-CG 4.4Å; K143-Y347 HydrophobicContact CG-CD1 3.7Å; K143-Y347 HydrophobicContact CG-CD2 3.87Å; K143-Y347 HydrophobicContact CG-CE1 4.11Å; K143-Y347 HydrophobicContact CG-CE2 4.3Å; K143-Y347 HydrophobicContact CG-CG 3.53Å; K143-D348 VanDerWaalsContact NZ-CG 3.3Å; K143-D348 IonicContact NZ-OD1 3.14Å; K143-D348 PolarHBondContact NZ-OD1 3.14Å; K143-D348 IonicContact NZ-OD2 2.68Å; K143-D348 PolarHBondContact NZ-OD2 2.87Å
144E89.6Confident91.4Very high82 Ų8240.7 Ų40.738%0.38324%0.235SC..Hα-helixtrans-61.4-29.6174.9-68.7172.2-145.700112.4G140 K141 L142 P147 R268G140-E144 PolarHBondContact O-N 3.09Å; K141-E144 VanDerWaalsContact NZ-CD 3.3Å; K141-E144 IonicContact NZ-OE1 3.71Å; K141-E144 PolarHBondContact NZ-OE1 3.13Å; K141-E144 IonicContact NZ-OE2 2.69Å; K141-E144 PolarHBondContact NZ-OE2 2.94Å; K141-E144 PolarHBondContact O-N 3.46Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-E144 PolarHBondContact O-N 3.03Å; E144-P147 WeakPolarHBondContact O-CD 3.43Å; E144-R268 PolarHBondContact O-NH1 3.13Å; E144-R268 PolarHBondContact O-NH2 3.19Å
145M91.4Very high91.7Very high5 Ų539.1 Ų39.13%0.02522%0.223CC..Hα-helixtrans-79.5-24.9180-69172.3-175.500114.3K141 L142 K143 I148 I149 T187 R268 F447K141-M145 WeakPolarHBondContact O-CG 3.44Å; K141-M145 PolarHBondContact O-N 3.38Å; K141-M145 VanDerWaalsContact O-N 3.12Å; L142-M145 HydrophobicContact CD2-SD 4.38Å; L142-M145 WeakPolarHBondContact O-CB 3.36Å; L142-M145 PolarHBondContact O-N 3.45Å; L142-M145 VanDerWaalsContact O-N 3.07Å; K143-M145 PolarHBondContact O-N 3.27Å; M145-I148 PolarHBondContact O-N 2.94Å; M145-I148 VanDerWaalsContact O-N 3.1Å; M145-I149 HydrophobicContact CB-CD1 4.16Å; M145-I149 WeakPolarHBondContact O-CG1 3.26Å; M145-I149 PolarHBondContact O-N 2.81Å; M145-I149 VanDerWaalsContact O-N 3.09Å; M145-T187 HydrophobicContact CB-CG2 4.22Å; M145-T187 HydrophobicContact CG-CG2 4.28Å; M145-R268 VanDerWaalsContact CG-NH2 3.28Å; M145-R268 VanDerWaalsContact N-NH2 3.19Å; M145-F447 HydrophobicContact SD-CD2 3.93Å; M145-F447 HydrophobicContact SD-CE2 3.92Å
146V92.8Very high92Very high10 Ų1036.1 Ų36.16%0.06120%0.203CC..Hα-helixtrans-53.9-45.1-176.3172.10000113.7L142 K143 I148 I149 A150 Y347 V450 L454L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.48Å; K143-V146 PolarHBondContact O-N 2.99Å; V146-I148 VanDerWaalsContact C-N 3.31Å; V146-I148 PolarHBondContact O-N 3.42Å; V146-I149 PolarHBondContact O-N 2.53Å; V146-A150 WeakPolarHBondContact O-CB 3.35Å; V146-A150 PolarHBondContact O-N 3.34Å; V146-Y347 HydrophobicContact CG2-CD2 3.83Å; V146-Y347 HydrophobicContact CG2-CG 4.38Å; V146-V450 HydrophobicContact CG2-CG1 4.12Å; V146-L454 HydrophobicContact CB-CD1 4.4Å; V146-L454 HydrophobicContact CG1-CD1 4.02Å; V146-L454 HydrophobicContact CG1-CD2 4.18Å; V146-L454 HydrophobicContact CG2-CD1 4.14Å
147P92.3Very high92.6Very high86 Ų8636.5 Ų36.556%0.55821%0.206SC*.Hα-helixtrans-59.1-38.7178.4-26.135.6000113.8E144 A150 Q151E144-P147 WeakPolarHBondContact O-CD 3.43Å; P147-A150 PolarHBondContact O-N 2.98Å; P147-Q151 PolarHBondContact O-N 3.2Å; P147-Q151 VanDerWaalsContact O-N 3.09Å
148I92.1Very high92.9Very high29 Ų2943.2 Ų43.215%0.14923%0.23CC..Hα-helixtrans-66.1-47.8176.3-62.8-175.1000109.9M145 V146 A150 Q151 Y152 S186 T187 R268M145-I148 PolarHBondContact O-N 2.94Å; M145-I148 VanDerWaalsContact O-N 3.1Å; V146-I148 VanDerWaalsContact C-N 3.31Å; V146-I148 PolarHBondContact O-N 3.42Å; I148-A150 VanDerWaalsContact C-N 3.27Å; I148-A150 PolarHBondContact O-N 2.66Å; I148-Q151 WeakPolarHBondContact O-CB 3.37Å; I148-Q151 PolarHBondContact O-N 3.15Å; I148-Y152 HydrophobicContact CG2-CD2 4.04Å; I148-Y152 HydrophobicContact CG2-CE2 3.71Å; I148-Y152 VanDerWaalsContact O-CD2 3.22Å; I148-Y152 WeakPolarHBondContact O-CD2 3.47Å; I148-Y152 PolarHBondContact O-N 3.15Å; I148-S186 WeakPolarHBondContact CG2-OG 3.26Å; I148-T187 HydrophobicContact CB-CG2 4.21Å; I148-T187 HydrophobicContact CG2-CG2 3.89Å; I148-R268 VanDerWaalsContact CG1-NH1 3.32Å
149I94.5Very high93Very high2 Ų240.9 Ų40.91%0.0122%0.216CC..Hα-helixtrans-62.1-39.7-179.1-59.9169.4000110.4M145 V146 Y152 G153 Y179 V183 T187 F447 L454M145-I149 HydrophobicContact CB-CD1 4.16Å; M145-I149 WeakPolarHBondContact O-CG1 3.26Å; M145-I149 PolarHBondContact O-N 2.81Å; M145-I149 VanDerWaalsContact O-N 3.09Å; V146-I149 PolarHBondContact O-N 2.53Å; I149-Y152 PolarHBondContact O-N 3.24Å; I149-G153 PolarHBondContact O-N 3.21Å; I149-Y179 VanDerWaalsContact CG2-OH 3.26Å; I149-Y179 WeakPolarHBondContact CG2-OH 3.36Å; I149-V183 HydrophobicContact CD1-CG1 4.49Å; I149-V183 HydrophobicContact CG1-CG1 3.87Å; I149-V183 HydrophobicContact CG2-CG1 4.48Å; I149-V183 HydrophobicContact CG2-CG2 4.31Å; I149-T187 HydrophobicContact CG1-CG2 3.93Å; I149-F447 HydrophobicContact CD1-CE2 4.27Å; I149-L454 HydrophobicContact CB-CD1 3.85Å; I149-L454 HydrophobicContact CD1-CD1 4.24Å; I149-L454 HydrophobicContact CG2-CB 3.97Å; I149-L454 HydrophobicContact CG2-CD1 3.57Å; I149-L454 HydrophobicContact CG2-CG 4.42Å
150A93.3Very high93.2Very high19 Ų1938.4 Ų38.416%0.15720%0.198CC..Hα-helixtrans-62.6-42.3177.200000111.9V146 P147 I148 Y152 G153 D154V146-A150 WeakPolarHBondContact O-CB 3.35Å; V146-A150 PolarHBondContact O-N 3.34Å; P147-A150 PolarHBondContact O-N 2.98Å; I148-A150 VanDerWaalsContact C-N 3.27Å; I148-A150 PolarHBondContact O-N 2.66Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 3.41Å; A150-G153 CarbonylContact O-C 3.53Å; A150-G153 VanDerWaalsContact O-CA 3.31Å; A150-G153 WeakPolarHBondContact O-CA 3.31Å; A150-G153 PolarHBondContact O-N 3.41Å; A150-D154 PolarHBondContact O-N 3.32Å
151Q94.3Very high93.5Very high112 Ų11240.4 Ų40.452%0.52319%0.193SC..Hα-helixtrans-55.8-46.7174.9179.7-173.8-13.400111.8P147 I148 G153 D154 V155P147-Q151 PolarHBondContact O-N 3.2Å; P147-Q151 VanDerWaalsContact O-N 3.09Å; I148-Q151 WeakPolarHBondContact O-CB 3.37Å; I148-Q151 PolarHBondContact O-N 3.15Å; Q151-G153 VanDerWaalsContact C-N 3.28Å; Q151-G153 PolarHBondContact O-N 2.87Å; Q151-D154 WeakPolarHBondContact O-CB 3.1Å; Q151-D154 PolarHBondContact O-N 3.23Å; Q151-D154 VanDerWaalsContact O-N 3.17Å; Q151-V155 PolarHBondContact O-N 3.23Å
152Y95.6Very high93.6Very high11 Ų1144.6 Ų44.64%0.04321%0.207CC..Hα-helixtrans-70.8-25.3176-67.8-69.3000112.8I148 I149 A150 D154 V155 L156 D182 V183 S186 S192 L196I148-Y152 HydrophobicContact CG2-CD2 4.04Å; I148-Y152 HydrophobicContact CG2-CE2 3.71Å; I148-Y152 VanDerWaalsContact O-CD2 3.22Å; I148-Y152 WeakPolarHBondContact O-CD2 3.47Å; I148-Y152 PolarHBondContact O-N 3.15Å; I149-Y152 PolarHBondContact O-N 3.24Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 3.41Å; Y152-D154 VanDerWaalsContact C-N 3.3Å; Y152-V155 PolarHBondContact O-N 3.47Å; Y152-L156 VanDerWaalsContact O-CB 3.28Å; Y152-L156 WeakPolarHBondContact O-CB 3.42Å; Y152-L156 PolarHBondContact O-N 3.48Å; Y152-D182 HydrophobicContact CD1-CB 3.56Å; Y152-D182 HydrophobicContact CE1-CB 3.64Å; Y152-D182 HydrophobicContact CG-CB 4.09Å; Y152-V183 HydrophobicContact CD2-CG2 4.29Å; Y152-V183 HydrophobicContact CG-CG2 4.38Å; Y152-S186 VanDerWaalsContact CE2-CB 3.4Å; Y152-S186 WeakPolarHBondContact CE2-OG 3.43Å; Y152-S186 WeakPolarHBondContact OH-CB 3.47Å; Y152-S192 WeakPolarHBondContact OH-CB 3.23Å; Y152-S192 PolarHBondContact OH-OG 2.95Å; Y152-L196 HydrophobicContact CD1-CD1 4.37Å
153G95.4Very high93.6Very high0 Ų047.1 Ų47.10%022%0.219CC..Hα-helixtrans-61.8-37.5168.300000112.4I149 A150 Q151 L156 V157I149-G153 PolarHBondContact O-N 3.21Å; A150-G153 CarbonylContact O-C 3.53Å; A150-G153 VanDerWaalsContact O-CA 3.31Å; A150-G153 WeakPolarHBondContact O-CA 3.31Å; A150-G153 PolarHBondContact O-N 3.41Å; Q151-G153 VanDerWaalsContact C-N 3.28Å; Q151-G153 PolarHBondContact O-N 2.87Å; G153-L156 WeakPolarHBondContact O-CB 2.97Å; G153-L156 PolarHBondContact O-N 3.08Å; G153-V157 WeakPolarHBondContact O-CG2 3.28Å; G153-V157 PolarHBondContact O-N 3.32Å
154D94.9Very high93.7Very high68 Ų6843.9 Ų43.936%0.36421%0.209SC..Hα-helixtrans-71.8-38.4176.5-63.6-26.5000112.4A150 Q151 Y152 L156 V157 R158 R458A150-D154 PolarHBondContact O-N 3.32Å; Q151-D154 WeakPolarHBondContact O-CB 3.1Å; Q151-D154 PolarHBondContact O-N 3.23Å; Q151-D154 VanDerWaalsContact O-N 3.17Å; Y152-D154 VanDerWaalsContact C-N 3.3Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-V157 PolarHBondContact O-N 2.82Å; D154-R158 WeakPolarHBondContact O-CB 3.35Å; D154-R158 PolarHBondContact O-N 3Å; D154-R458 IonicContact OD1-CZ 3.32Å; D154-R458 IonicContact OD1-NE 3.37Å; D154-R458 PolarHBondContact OD1-NE 3.31Å; D154-R458 IonicContact OD1-NH2 3.13Å; D154-R458 PolarHBondContact OD1-NH2 2.9Å
155V95.4Very high93.8Very high17 Ų1747.1 Ų47.110%0.10322%0.224CC..Hα-helixtrans-63.5-42.6172.3-178.10000110.5Q151 Y152 V157 R158 N159 L196Q151-V155 PolarHBondContact O-N 3.23Å; Y152-V155 PolarHBondContact O-N 3.47Å; V155-V157 PolarHBondContact O-N 3.43Å; V155-R158 WeakPolarHBondContact O-CB 3.34Å; V155-R158 PolarHBondContact O-N 3.27Å; V155-N159 PolarHBondContact O-N 2.88Å; V155-L196 HydrophobicContact CB-CD1 3.88Å; V155-L196 HydrophobicContact CG1-CB 3.81Å; V155-L196 HydrophobicContact CG1-CD1 3.67Å; V155-L196 HydrophobicContact CG1-CG 4.34Å
156L96.3Very high93.8Very high0 Ų050.6 Ų50.60%025%0.246CC..Hα-helixtrans-57.7-48.3174.7170.462.3000111.9Y152 G153 D154 R158 N159 L160 V175 F176 Y179 A455 V459Y152-L156 VanDerWaalsContact O-CB 3.28Å; Y152-L156 WeakPolarHBondContact O-CB 3.42Å; Y152-L156 PolarHBondContact O-N 3.48Å; G153-L156 WeakPolarHBondContact O-CB 2.97Å; G153-L156 PolarHBondContact O-N 3.08Å; D154-L156 VanDerWaalsContact C-N 3.34Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 3.29Å; L156-N159 PolarHBondContact O-N 2.98Å; L156-L160 HydrophobicContact CD1-CD1 3.87Å; L156-L160 HydrophobicContact CD1-CG 4.19Å; L156-L160 HydrophobicContact CG-CD1 4.15Å; L156-L160 WeakPolarHBondContact O-CB 3.48Å; L156-L160 WeakPolarHBondContact O-CG 3.28Å; L156-L160 PolarHBondContact O-N 3Å; L156-V175 HydrophobicContact CD1-CG1 3.22Å; L156-F176 HydrophobicContact CD1-CE1 4.45Å; L156-F176 HydrophobicContact CD2-CD1 4.31Å; L156-F176 HydrophobicContact CD2-CE1 4.04Å; L156-Y179 HydrophobicContact CB-CD2 4.02Å; L156-Y179 HydrophobicContact CD2-CD2 3.84Å; L156-Y179 HydrophobicContact CD2-CE2 4.22Å; L156-Y179 HydrophobicContact CD2-CG 3.99Å; L156-Y179 HydrophobicContact CG-CD2 4.48Å; L156-A455 HydrophobicContact CD2-CB 4.31Å; L156-V459 HydrophobicContact CD2-CG2 3.65Å; L156-V459 HydrophobicContact CG-CG2 3.97Å
157V96.5Very high93.5Very high11 Ų1152.2 Ų52.27%0.06727%0.265CS..Hα-helixtrans-60.6-43.4177.5166.50000111.3G153 D154 V155 N159 L160 R161 R458 N462 F463G153-V157 WeakPolarHBondContact O-CG2 3.28Å; G153-V157 PolarHBondContact O-N 3.32Å; D154-V157 PolarHBondContact O-N 2.82Å; V155-V157 PolarHBondContact O-N 3.43Å; V157-N159 PolarHBondContact O-N 3.5Å; V157-L160 PolarHBondContact O-N 3.44Å; V157-R161 WeakPolarHBondContact O-CB 3.17Å; V157-R161 PolarHBondContact O-N 2.97Å; V157-R458 HydrophobicContact CG2-CB 3.89Å; V157-R458 WeakPolarHBondContact CG2-O 3.46Å; V157-N462 HydrophobicContact CG1-CB 4.05Å; V157-F463 HydrophobicContact CB-CE2 4.34Å; V157-F463 HydrophobicContact CG1-CE2 3.91Å; V157-F463 HydrophobicContact CG1-CZ 4.16Å; V157-F463 HydrophobicContact CG2-CE2 4.41Å; V157-F463 WeakPolarHBondContact O-CZ 3.36Å
158R95Very high93.4Very high161 Ų16154.3 Ų54.361%0.60827%0.265SS*.Hα-helixtrans-61.1-44.3178.3-165.2-169-36.6-169.97.4112.2D154 V155 L156 R161 R162D154-R158 WeakPolarHBondContact O-CB 3.35Å; D154-R158 PolarHBondContact O-N 3Å; V155-R158 WeakPolarHBondContact O-CB 3.34Å; V155-R158 PolarHBondContact O-N 3.27Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 3.29Å; R158-R161 PolarHBondContact O-N 3.33Å; R158-R162 PolarHBondContact O-N 3.08Å
159N92.5Very high93.6Very high14 Ų1455.7 Ų55.78%0.07528%0.276CS..Hα-helixtrans-70-38.8-179.9-72.9-1.6000111.6V155 L156 V157 R161 R162 E163 L196 N197V155-N159 PolarHBondContact O-N 2.88Å; L156-N159 PolarHBondContact O-N 2.98Å; V157-N159 PolarHBondContact O-N 3.5Å; N159-R161 VanDerWaalsContact C-N 3.35Å; N159-R162 PolarHBondContact O-N 2.89Å; N159-E163 PolarHBondContact O-N 3.41Å; N159-L196 PolarHBondContact ND2-O 3.22Å; N159-N197 PolarHBondContact ND2-OD1 3.38Å; N159-N197 VanDerWaalsContact ND2-OD1 3.15Å; N159-N197 PolarHBondContact OD1-OD1 3.42Å
160L94.8Very high93.6Very high1 Ų155.9 Ų55.91%0.00528%0.277CS..Hα-helixtrans-64.8-36.8172.4-77.5171.8000112.7L156 V157 R162 E163 A164 V170 V175 V459 F463 F465 V493L156-L160 HydrophobicContact CD1-CD1 3.87Å; L156-L160 HydrophobicContact CD1-CG 4.19Å; L156-L160 HydrophobicContact CG-CD1 4.15Å; L156-L160 WeakPolarHBondContact O-CB 3.48Å; L156-L160 WeakPolarHBondContact O-CG 3.28Å; L156-L160 PolarHBondContact O-N 3Å; V157-L160 PolarHBondContact O-N 3.44Å; L160-R162 PolarHBondContact O-N 2.92Å; L160-E163 PolarHBondContact O-N 3.34Å; L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.4Å; L160-V170 HydrophobicContact CD2-CG1 4.14Å; L160-V175 HydrophobicContact CD2-CG1 4Å; L160-V175 HydrophobicContact CG-CG1 4.1Å; L160-V459 HydrophobicContact CD1-CG1 4.21Å; L160-V459 HydrophobicContact CD1-CG2 3.72Å; L160-F463 HydrophobicContact CB-CD2 4.23Å; L160-F463 HydrophobicContact CB-CE2 3.69Å; L160-F463 HydrophobicContact CB-CZ 3.97Å; L160-F463 HydrophobicContact CD1-CD2 4.36Å; L160-F463 HydrophobicContact CD1-CE2 4.37Å; L160-F465 HydrophobicContact CD1-CZ 4.45Å; L160-V493 HydrophobicContact CD2-CG2 4.3Å
161R95.1Very high93.8Very high84 Ų8456.7 Ų56.732%0.31728%0.28SS..Hα-helixtrans-59.9-46.1175.9-175168.3-72.6165.7-3.4111.4V157 R158 N159 E163 A164 E165 F463 D497V157-R161 WeakPolarHBondContact O-CB 3.17Å; V157-R161 PolarHBondContact O-N 2.97Å; R158-R161 PolarHBondContact O-N 3.33Å; N159-R161 VanDerWaalsContact C-N 3.35Å; R161-E163 VanDerWaalsContact C-N 3.32Å; R161-E163 PolarHBondContact O-N 2.93Å; R161-A164 WeakPolarHBondContact O-CB 3.31Å; R161-A164 PolarHBondContact O-N 3.45Å; R161-A164 VanDerWaalsContact O-N 3.16Å; R161-E165 HydrophobicContact CG-CG 4.37Å; R161-E165 WeakPolarHBondContact CG-OE1 3.08Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.09Å; R161-F463 HydrophobicContact CB-CE1 4.19Å; R161-F463 HydrophobicContact CB-CZ 3.85Å; R161-D497 IonicContact CZ-OD2 3.11Å; R161-D497 IonicContact NE-OD2 2.8Å; R161-D497 PolarHBondContact NE-OD2 2.94Å; R161-D497 IonicContact NH2-OD1 2.69Å; R161-D497 PolarHBondContact NH2-OD1 2.91Å; R161-D497 IonicContact NH2-OD2 3.46Å; R161-D497 PolarHBondContact NH2-OD2 3.5Å
162R91.9Very high93.9Very high130 Ų13051.4 Ų51.449%0.49126%0.255SS..Hα-helixtrans-57.2-44.8176.7-176.8178.662.9-165.6-6.8111.8R158 N159 L160 T166R158-R162 PolarHBondContact O-N 3.08Å; N159-R162 PolarHBondContact O-N 2.89Å; L160-R162 PolarHBondContact O-N 2.92Å; R162-T166 WeakPolarHBondContact O-CG2 3.39Å; R162-T166 PolarHBondContact O-N 3.24Å
163E91.1Very high93.7Very high57 Ų5752.9 Ų52.927%0.26626%0.262SS..Hα-helixtrans-66.6-41177.2-60.7-58147.400111.9N159 L160 R161 E165 T166 G167 K168 V170N159-E163 PolarHBondContact O-N 3.41Å; L160-E163 PolarHBondContact O-N 3.34Å; R161-E163 VanDerWaalsContact C-N 3.32Å; R161-E163 PolarHBondContact O-N 2.93Å; E163-E165 PolarHBondContact O-N 2.98Å; E163-T166 PolarHBondContact O-N 3.14Å; E163-T166 PolarHBondContact O-OG1 3.29Å; E163-G167 PolarHBondContact O-N 3.31Å; E163-K168 PolarHBondContact O-N 3.05Å; E163-V170 HydrophobicContact CB-CG2 3.53Å; E163-V170 HydrophobicContact CG-CG2 4.03Å
164A92.3Very high93.6Very high22 Ų2258.3 Ų58.318%0.18229%0.287CS..Hα-helixtrans-61.9-41.4177.700000112.5L160 R161 T166 G167 F463 V493L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.4Å; R161-A164 WeakPolarHBondContact O-CB 3.31Å; R161-A164 PolarHBondContact O-N 3.45Å; R161-A164 VanDerWaalsContact O-N 3.16Å; A164-T166 VanDerWaalsContact C-N 3.33Å; A164-T166 PolarHBondContact O-N 2.99Å; A164-G167 PolarHBondContact O-N 3.22Å; A164-G167 VanDerWaalsContact O-N 3.08Å; A164-F463 HydrophobicContact CB-CE1 4.37Å; A164-V493 HydrophobicContact CB-CB 4.22Å; A164-V493 HydrophobicContact CB-CG1 4.17Å
165E92.1Very high93.5Very high150 Ų15056.3 Ų56.370%0.70128%0.277SS*.Hα-helixtrans-63.9-36.1176.4-74.3169.2-177.200112.3R161 E163 G167R161-E165 HydrophobicContact CG-CG 4.37Å; R161-E165 WeakPolarHBondContact CG-OE1 3.08Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.09Å; E163-E165 PolarHBondContact O-N 2.98Å; E165-G167 PolarHBondContact O-N 2.98Å
166T90.8Very high93.5Very high79 Ų7955.6 Ų55.649%0.48527%0.273SS..Hα-helixtrans-76.2-10.8174.266.70000113.8R162 E163 A164 K168R162-T166 WeakPolarHBondContact O-CG2 3.39Å; R162-T166 PolarHBondContact O-N 3.24Å; E163-T166 PolarHBondContact O-N 3.14Å; E163-T166 PolarHBondContact O-OG1 3.29Å; A164-T166 VanDerWaalsContact C-N 3.33Å; A164-T166 PolarHBondContact O-N 2.99Å; T166-K168 PolarHBondContact O-N 3.38Å; T166-K168 WeakPolarHBondContact OG1-CG 3.44Å
167G87.9Confident93.3Very high44 Ų4455.6 Ų55.645%0.45427%0.273SS..THydrogen-bonded Turntrans66.411.1-175.500000114.6E163 A164 E165E163-G167 PolarHBondContact O-N 3.31Å; A164-G167 PolarHBondContact O-N 3.22Å; A164-G167 VanDerWaalsContact O-N 3.08Å; E165-G167 PolarHBondContact O-N 2.98Å
168K90.6Very high93.2Very high130 Ų13055.5 Ų55.557%0.56527%0.273SS*.PPolyproline II helixtrans-76137.6-178.1-72.1-179.2-178177.50111.1E163 T166 V170E163-K168 PolarHBondContact O-N 3.05Å; T166-K168 PolarHBondContact O-N 3.38Å; T166-K168 WeakPolarHBondContact OG1-CG 3.44Å; K168-V170 PolarHBondContact O-N 3.36Å
169P94.9Very high93.2Very high58 Ų5847.9 Ų47.938%0.37724%0.244SC..PPolyproline II helixtrans-60.4136170.2-22.733.3000111.7V490P169-V490 HydrophobicContact CB-CG1 3.46Å; P169-V490 VanDerWaalsContact CB-CG1 3.46Å
170V95.8Very high93.4Very high5 Ų547.2 Ų47.23%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-101.5127.9-175.6179.30000110.1L160 E163 K168 L172 V175 V490 L491 V493L160-V170 HydrophobicContact CD2-CG1 4.14Å; E163-V170 HydrophobicContact CB-CG2 3.53Å; E163-V170 HydrophobicContact CG-CG2 4.03Å; K168-V170 PolarHBondContact O-N 3.36Å; V170-L172 PolarHBondContact O-N 2.96Å; V170-V175 HydrophobicContact CG1-CB 4.49Å; V170-V175 HydrophobicContact CG1-CG2 3.6Å; V170-V490 WeakPolarHBondContact O-CA 3.43Å; V170-L491 PolarHBondContact N-O 3.01Å; V170-L491 PolarHBondContact O-N 2.98Å; V170-V493 HydrophobicContact CB-CG2 4.09Å; V170-V493 HydrophobicContact CG2-CG2 3.72Å
171T96.4Very high93.3Very high37 Ų3747.1 Ų47.123%0.22724%0.24CC..EExtended strand (participates in β ladder)trans-80.7107.9169.1-590000109.7K173 H174 P488T171-K173 VanDerWaalsContact C-N 3.31Å; T171-K173 PolarHBondContact O-N 2.97Å; T171-H174 WeakPolarHBondContact O-CB 3.45Å; T171-H174 PolarHBondContact O-N 3.49Å; T171-H174 VanDerWaalsContact O-N 3.09Å; T171-P488 HydrophobicContact CG2-CB 3.86Å
172L96Very high93.2Very high1 Ų143.1 Ų43.11%0.00523%0.225CC..Hα-helixtrans-59-40.1-171.6-63.2-167.7000113.2V170 H174 V175 F176 S315 I318 F465 I489 L491V170-L172 PolarHBondContact O-N 2.96Å; L172-H174 PolarHBondContact O-N 3.33Å; L172-V175 PolarHBondContact O-N 2.87Å; L172-F176 HydrophobicContact CB-CD2 4.01Å; L172-F176 HydrophobicContact CB-CE2 4.26Å; L172-F176 HydrophobicContact CD1-CE2 4.43Å; L172-F176 HydrophobicContact CD2-CE2 4.09Å; L172-F176 WeakPolarHBondContact O-CB 3.35Å; L172-F176 WeakPolarHBondContact O-CD2 3.27Å; L172-F176 PolarHBondContact O-N 3.27Å; L172-S315 WeakPolarHBondContact CD1-O 3.35Å; L172-I318 HydrophobicContact CD1-CB 3.82Å; L172-I318 HydrophobicContact CD1-CG2 3.72Å; L172-I318 HydrophobicContact CD2-CG2 4.19Å; L172-F465 HydrophobicContact CD2-CE1 4.39Å; L172-I489 HydrophobicContact CD1-CB 4.19Å; L172-I489 HydrophobicContact CD1-CG2 3.51Å; L172-I489 HydrophobicContact CG-CB 4.4Å; L172-I489 HydrophobicContact CG-CG2 3.95Å; L172-I489 PolarHBondContact N-O 3.36Å; L172-L491 HydrophobicContact CD1-CD1 3.77Å; L172-L491 HydrophobicContact CD1-CG 4.43Å; L172-L491 HydrophobicContact CD2-CD1 4.32Å; L172-L491 HydrophobicContact CG-CD1 4.29Å
173K92.6Very high93.4Very high42 Ų4237 Ų3718%0.18320%0.202CC..Hα-helixtrans-62.1-28-179.3-174.958.7174.9-172.10113T171 G177 E308 S311 S312T171-K173 VanDerWaalsContact C-N 3.31Å; T171-K173 PolarHBondContact O-N 2.97Å; K173-G177 VanDerWaalsContact O-CA 3.3Å; K173-G177 WeakPolarHBondContact O-CA 3.27Å; K173-G177 PolarHBondContact O-N 3.37Å; K173-E308 WeakPolarHBondContact CE-OE2 3.39Å; K173-E308 PolarHBondContact NZ-O 2.68Å; K173-E308 IonicContact NZ-OE1 2.88Å; K173-E308 PolarHBondContact NZ-OE1 3.39Å; K173-E308 IonicContact NZ-OE2 3.54Å; K173-E308 PolarHBondContact NZ-OE2 2.85Å; K173-S311 PolarHBondContact NZ-OG 2.89Å; K173-S312 PolarHBondContact NZ-OG 3.47Å
174H91.8Very high93.5Very high114 Ų11434.4 Ų34.453%0.52819%0.19SC..Hα-helixtrans-72.9-51.7177.4-66.7176.8000110.5T171 L172 G177 A178T171-H174 WeakPolarHBondContact O-CB 3.45Å; T171-H174 PolarHBondContact O-N 3.49Å; T171-H174 VanDerWaalsContact O-N 3.09Å; L172-H174 PolarHBondContact O-N 3.33Å; H174-G177 PolarHBondContact O-N 2.7Å; H174-A178 PolarHBondContact O-N 2.91Å
175V93.1Very high93.5Very high26 Ų2633.5 Ų33.516%0.15818%0.182CC..Hα-helixtrans-68.3-51.7-176.51770000111.5L156 L160 V170 L172 G177 A178 Y179L156-V175 HydrophobicContact CD1-CG1 3.22Å; L160-V175 HydrophobicContact CD2-CG1 4Å; L160-V175 HydrophobicContact CG-CG1 4.1Å; V170-V175 HydrophobicContact CG1-CB 4.49Å; V170-V175 HydrophobicContact CG1-CG2 3.6Å; L172-V175 PolarHBondContact O-N 2.87Å; V175-G177 VanDerWaalsContact C-N 3.29Å; V175-G177 PolarHBondContact O-N 2.94Å; V175-A178 PolarHBondContact O-N 3.41Å; V175-Y179 PolarHBondContact O-N 3.38Å
176F95.8Very high93.5Very high2 Ų226.7 Ų26.71%0.00915%0.151CC..Hα-helixtrans-71.8-25.5178.5-68.1-56.2000112.9L156 L172 S180 S311 L314 I318 V459L156-F176 HydrophobicContact CD1-CE1 4.45Å; L156-F176 HydrophobicContact CD2-CD1 4.31Å; L156-F176 HydrophobicContact CD2-CE1 4.04Å; L172-F176 HydrophobicContact CB-CD2 4.01Å; L172-F176 HydrophobicContact CB-CE2 4.26Å; L172-F176 HydrophobicContact CD1-CE2 4.43Å; L172-F176 HydrophobicContact CD2-CE2 4.09Å; L172-F176 WeakPolarHBondContact O-CB 3.35Å; L172-F176 WeakPolarHBondContact O-CD2 3.27Å; L172-F176 PolarHBondContact O-N 3.27Å; F176-S180 VanDerWaalsContact O-CB 3.28Å; F176-S180 WeakPolarHBondContact O-CB 3.37Å; F176-S180 PolarHBondContact O-N 3.06Å; F176-S180 PolarHBondContact O-OG 2.73Å; F176-S311 WeakPolarHBondContact O-CB 3.47Å; F176-L314 HydrophobicContact CB-CB 4.16Å; F176-L314 HydrophobicContact CB-CD1 4.28Å; F176-L314 HydrophobicContact CD1-CB 4.02Å; F176-L314 HydrophobicContact CD1-CD1 3.77Å; F176-L314 HydrophobicContact CD1-CG 4.41Å; F176-L314 HydrophobicContact CD2-CB 4.03Å; F176-L314 HydrophobicContact CE1-CB 4.42Å; F176-L314 HydrophobicContact CE1-CD1 4.4Å; F176-L314 HydrophobicContact CE2-CB 4.45Å; F176-L314 HydrophobicContact CG-CB 3.82Å; F176-L314 HydrophobicContact CG-CD1 4.19Å; F176-I318 HydrophobicContact CE2-CB 4.36Å; F176-I318 HydrophobicContact CE2-CG1 3.78Å; F176-I318 HydrophobicContact CZ-CD1 4.48Å; F176-I318 HydrophobicContact CZ-CG1 3.76Å; F176-V459 HydrophobicContact CE1-CG2 4.41Å
177G93.3Very high93.5Very high0 Ų022.9 Ų22.90%013%0.128CC..Hα-helixtrans-61.7-53.5171.100000111.1K173 H174 V175 S180 M181 Y307K173-G177 VanDerWaalsContact O-CA 3.3Å; K173-G177 WeakPolarHBondContact O-CA 3.27Å; K173-G177 PolarHBondContact O-N 3.37Å; H174-G177 PolarHBondContact O-N 2.7Å; V175-G177 VanDerWaalsContact C-N 3.29Å; V175-G177 PolarHBondContact O-N 2.94Å; G177-S180 PolarHBondContact O-N 3.18Å; G177-M181 PolarHBondContact O-N 2.76Å; G177-Y307 VanDerWaalsContact O-CD2 3.26Å; G177-Y307 WeakPolarHBondContact O-CD2 3.17Å; G177-Y307 WeakPolarHBondContact O-CE2 3.41Å
178A92.9Very high93.4Very high9 Ų921 Ų217%0.07411%0.108CC..Hα-helixtrans-59.8-47.7177.400000111.9H174 V175 S180 M181 D182 S195 L196H174-A178 PolarHBondContact O-N 2.91Å; V175-A178 PolarHBondContact O-N 3.41Å; A178-S180 VanDerWaalsContact C-N 3.31Å; A178-S180 PolarHBondContact O-N 3.17Å; A178-M181 PolarHBondContact O-N 3.06Å; A178-M181 VanDerWaalsContact O-N 3.11Å; A178-D182 PolarHBondContact O-N 3.21Å; A178-S195 WeakPolarHBondContact CB-O 3.22Å; A178-S195 PolarHBondContact O-OG 3.42Å; A178-L196 HydrophobicContact CB-CD2 3.91Å; A178-L196 HydrophobicContact CB-CG 4.1Å
179Y95.6Very high93.2Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-52.4-48.6173.5171.1-100.3000112.6I149 L156 V175 M181 D182 V183 L314 N451 A455I149-Y179 VanDerWaalsContact CG2-OH 3.26Å; I149-Y179 WeakPolarHBondContact CG2-OH 3.36Å; L156-Y179 HydrophobicContact CB-CD2 4.02Å; L156-Y179 HydrophobicContact CD2-CD2 3.84Å; L156-Y179 HydrophobicContact CD2-CE2 4.22Å; L156-Y179 HydrophobicContact CD2-CG 3.99Å; L156-Y179 HydrophobicContact CG-CD2 4.48Å; V175-Y179 PolarHBondContact O-N 3.38Å; Y179-M181 VanDerWaalsContact C-N 3.31Å; Y179-M181 PolarHBondContact O-N 3.25Å; Y179-D182 PolarHBondContact O-N 2.89Å; Y179-V183 HydrophobicContact CD2-CG2 4.14Å; Y179-V183 HydrophobicContact CE1-CG2 4.08Å; Y179-V183 HydrophobicContact CE2-CG2 3.67Å; Y179-V183 WeakPolarHBondContact O-CB 3.44Å; Y179-V183 WeakPolarHBondContact O-CG2 3.46Å; Y179-V183 PolarHBondContact O-N 3.03Å; Y179-L314 HydrophobicContact CD1-CD1 4.13Å; Y179-L314 HydrophobicContact CE1-CD1 4.25Å; Y179-N451 WeakPolarHBondContact CE1-OD1 3.31Å; Y179-N451 PolarHBondContact OH-O 2.71Å; Y179-N451 PolarHBondContact OH-OD1 3.43Å; Y179-A455 HydrophobicContact CD1-CB 4.28Å; Y179-A455 HydrophobicContact CE1-CB 3.51Å; Y179-A455 HydrophobicContact CE2-CB 4.47Å
180S95.6Very high92.6Very high0 Ų014.7 Ų14.70%09%0.09CC..Hα-helixtrans-66.2-34.3-178.2-57.40000112.3F176 G177 A178 I184 S311F176-S180 VanDerWaalsContact O-CB 3.28Å; F176-S180 WeakPolarHBondContact O-CB 3.37Å; F176-S180 PolarHBondContact O-N 3.06Å; F176-S180 PolarHBondContact O-OG 2.73Å; G177-S180 PolarHBondContact O-N 3.18Å; A178-S180 VanDerWaalsContact C-N 3.31Å; A178-S180 PolarHBondContact O-N 3.17Å; S180-I184 WeakPolarHBondContact O-CG2 3.15Å; S180-I184 PolarHBondContact O-N 3.45Å; S180-S311 PolarHBondContact OG-N 3.44Å
181M93.8Very high92.1Very high0 Ų016.6 Ų16.60%010%0.101CC..Hα-helixtrans-67.7-46.9175.1-174.356.772.100111.5G177 A178 Y179 V183 I184 T185 F203 V204 T207 I303 Y307G177-M181 PolarHBondContact O-N 2.76Å; A178-M181 PolarHBondContact O-N 3.06Å; A178-M181 VanDerWaalsContact O-N 3.11Å; Y179-M181 VanDerWaalsContact C-N 3.31Å; Y179-M181 PolarHBondContact O-N 3.25Å; M181-V183 VanDerWaalsContact C-N 3.34Å; M181-V183 PolarHBondContact O-N 3.39Å; M181-I184 WeakPolarHBondContact O-CG2 3.34Å; M181-I184 PolarHBondContact O-N 2.9Å; M181-I184 HydrophobicContact SD-CG2 4.22Å; M181-T185 HydrophobicContact CG-CG2 4.24Å; M181-T185 WeakPolarHBondContact O-CB 3.37Å; M181-T185 WeakPolarHBondContact O-CG2 3.16Å; M181-T185 PolarHBondContact O-N 3.15Å; M181-T185 PolarHBondContact O-OG1 3.05Å; M181-T185 HydrophobicContact SD-CG2 3.65Å; M181-F203 HydrophobicContact CE-CB 4.31Å; M181-F203 HydrophobicContact CG-CB 4.27Å; M181-F203 HydrophobicContact SD-CB 4.03Å; M181-V204 HydrophobicContact CB-CG2 3.89Å; M181-V204 HydrophobicContact CG-CG2 3.82Å; M181-T207 HydrophobicContact CE-CG2 4Å; M181-T207 VanDerWaalsContact CE-OG1 3.31Å; M181-T207 WeakPolarHBondContact CE-OG1 3.48Å; M181-I303 HydrophobicContact CE-CG2 3.98Å; M181-I303 HydrophobicContact SD-CG2 4Å; M181-Y307 HydrophobicContact CB-CD2 3.87Å; M181-Y307 HydrophobicContact CB-CE2 4.36Å; M181-Y307 HydrophobicContact CE-CD1 4.41Å; M181-Y307 HydrophobicContact CE-CD2 3.62Å; M181-Y307 HydrophobicContact CE-CE2 4.27Å; M181-Y307 HydrophobicContact CE-CG 3.68Å
182D93.9Very high91.4Very high0 Ų018.5 Ų18.50%012%0.116CC..Hα-helixtrans-63.8-42.2179.6-75.4-12.8000111.3Y152 A178 Y179 T185 S186 D194 S195 L196Y152-D182 HydrophobicContact CD1-CB 3.56Å; Y152-D182 HydrophobicContact CE1-CB 3.64Å; Y152-D182 HydrophobicContact CG-CB 4.09Å; A178-D182 PolarHBondContact O-N 3.21Å; Y179-D182 PolarHBondContact O-N 2.89Å; D182-T185 PolarHBondContact O-OG1 3.28Å; D182-S186 VanDerWaalsContact O-CB 3.23Å; D182-S186 WeakPolarHBondContact O-CB 3.32Å; D182-S186 PolarHBondContact O-N 3.43Å; D182-S186 PolarHBondContact O-OG 2.88Å; D182-D194 PolarHBondContact OD1-N 3.27Å; D182-S195 VanDerWaalsContact OD1-CB 3.31Å; D182-S195 WeakPolarHBondContact OD1-CB 3.32Å; D182-S195 PolarHBondContact OD1-N 3.42Å; D182-S195 PolarHBondContact OD1-OG 3.21Å; D182-S195 PolarHBondContact OD2-N 3.49Å; D182-S195 PolarHBondContact OD2-OG 3.08Å; D182-L196 WeakPolarHBondContact OD2-CB 3.24Å; D182-L196 VanDerWaalsContact OD2-CG 3.31Å; D182-L196 WeakPolarHBondContact OD2-CG 3.36Å; D182-L196 PolarHBondContact OD2-N 3.14Å
183V95.1Very high90.6Very high0 Ų019.8 Ų19.80%012%0.122CC..Hα-helixtrans-63.5-48.9176.3169.40000111.4I149 Y152 Y179 M181 T185 S186 T187 F447I149-V183 HydrophobicContact CD1-CG1 4.49Å; I149-V183 HydrophobicContact CG1-CG1 3.87Å; I149-V183 HydrophobicContact CG2-CG1 4.48Å; I149-V183 HydrophobicContact CG2-CG2 4.31Å; Y152-V183 HydrophobicContact CD2-CG2 4.29Å; Y152-V183 HydrophobicContact CG-CG2 4.38Å; Y179-V183 HydrophobicContact CD2-CG2 4.14Å; Y179-V183 HydrophobicContact CE1-CG2 4.08Å; Y179-V183 HydrophobicContact CE2-CG2 3.67Å; Y179-V183 WeakPolarHBondContact O-CB 3.44Å; Y179-V183 WeakPolarHBondContact O-CG2 3.46Å; Y179-V183 PolarHBondContact O-N 3.03Å; M181-V183 VanDerWaalsContact C-N 3.34Å; M181-V183 PolarHBondContact O-N 3.39Å; V183-T185 VanDerWaalsContact C-N 3.33Å; V183-T185 PolarHBondContact O-N 2.98Å; V183-S186 PolarHBondContact O-OG 3.06Å; V183-T187 HydrophobicContact CG1-CG2 4.26Å; V183-T187 WeakPolarHBondContact O-CB 3.37Å; V183-T187 WeakPolarHBondContact O-CG2 3.5Å; V183-T187 PolarHBondContact O-N 3.09Å; V183-T187 PolarHBondContact O-OG1 3.03Å; V183-F447 HydrophobicContact CG1-CZ 3.88Å
184I93.7Very high90.4Very high4 Ų420.8 Ų20.82%0.02113%0.13CC..Hα-helixtrans-67.4-37.5-177-164.966.2000111.6S180 M181 S188 F447S180-I184 WeakPolarHBondContact O-CG2 3.15Å; S180-I184 PolarHBondContact O-N 3.45Å; M181-I184 WeakPolarHBondContact O-CG2 3.34Å; M181-I184 PolarHBondContact O-N 2.9Å; M181-I184 HydrophobicContact SD-CG2 4.22Å; I184-S188 WeakPolarHBondContact CD1-OG 3.47Å; I184-S188 WeakPolarHBondContact O-CB 3.47Å; I184-S188 PolarHBondContact O-N 3.3Å; I184-S188 PolarHBondContact O-OG 3.2Å; I184-F447 HydrophobicContact CD1-CE1 3.94Å; I184-F447 HydrophobicContact CD1-CZ 4.12Å
185T91.9Very high90Very high2 Ų215.4 Ų15.41%0.01211%0.105CC..Hα-helixtrans-71.4-41.8-177.1530000112M181 D182 V183 F189 G190 V191 I193 F203M181-T185 HydrophobicContact CG-CG2 4.24Å; M181-T185 WeakPolarHBondContact O-CB 3.37Å; M181-T185 WeakPolarHBondContact O-CG2 3.16Å; M181-T185 PolarHBondContact O-N 3.15Å; M181-T185 PolarHBondContact O-OG1 3.05Å; M181-T185 HydrophobicContact SD-CG2 3.65Å; D182-T185 PolarHBondContact O-OG1 3.28Å; V183-T185 VanDerWaalsContact C-N 3.33Å; V183-T185 PolarHBondContact O-N 2.98Å; T185-F189 WeakPolarHBondContact O-CA 3.34Å; T185-F189 WeakPolarHBondContact O-CB 3.4Å; T185-F189 PolarHBondContact O-N 3.29Å; T185-G190 PolarHBondContact O-N 2.78Å; T185-V191 CarbonylContact C-O 3.51Å; T185-V191 VanDerWaalsContact C-O 3.25Å; T185-V191 PolarHBondContact O-N 2.78Å; T185-I193 HydrophobicContact CG2-CD1 3.39Å; T185-I193 HydrophobicContact CG2-CG1 4.25Å; T185-F203 HydrophobicContact CG2-CD1 4.48Å
186S91.4Very high89.4Confident7 Ų714.7 Ų14.75%0.04910%0.1CC..Hα-helixtrans-69-48.2175.759.60000113.1I148 Y152 D182 V183 G190 V191I148-S186 WeakPolarHBondContact CG2-OG 3.26Å; Y152-S186 VanDerWaalsContact CE2-CB 3.4Å; Y152-S186 WeakPolarHBondContact CE2-OG 3.43Å; Y152-S186 WeakPolarHBondContact OH-CB 3.47Å; D182-S186 VanDerWaalsContact O-CB 3.23Å; D182-S186 WeakPolarHBondContact O-CB 3.32Å; D182-S186 PolarHBondContact O-N 3.43Å; D182-S186 PolarHBondContact O-OG 2.88Å; V183-S186 PolarHBondContact O-OG 3.06Å; S186-G190 WeakPolarHBondContact O-CA 3.22Å; S186-G190 PolarHBondContact O-N 3.16Å; S186-V191 VanDerWaalsContact CA-O 3.27Å; S186-V191 WeakPolarHBondContact CA-O 3.47Å; S186-V191 PolarHBondContact N-O 2.66Å; S186-V191 VanDerWaalsContact N-O 3.13Å
187T90.8Very high88.8Confident0 Ų018.5 Ų18.50%012%0.121CC..Hα-helixtrans-75.1-27-176.257.70000113.3M145 I148 I149 V183 D270 F447M145-T187 HydrophobicContact CB-CG2 4.22Å; M145-T187 HydrophobicContact CG-CG2 4.28Å; I148-T187 HydrophobicContact CB-CG2 4.21Å; I148-T187 HydrophobicContact CG2-CG2 3.89Å; I149-T187 HydrophobicContact CG1-CG2 3.93Å; V183-T187 HydrophobicContact CG1-CG2 4.26Å; V183-T187 WeakPolarHBondContact O-CB 3.37Å; V183-T187 WeakPolarHBondContact O-CG2 3.5Å; V183-T187 PolarHBondContact O-N 3.09Å; V183-T187 PolarHBondContact O-OG1 3.03Å; T187-D270 WeakPolarHBondContact O-CB 3.18Å; T187-F447 HydrophobicContact CG2-CE2 4.37Å; T187-F447 WeakPolarHBondContact OG1-CZ 3.46Å
188S87.4Confident88.3Confident5 Ų522 Ų224%0.03514%0.139CC..Hα-helixtrans-94.8-35.6-179.1-53.60000113.1I184 F271 L272I184-S188 WeakPolarHBondContact CD1-OG 3.47Å; I184-S188 WeakPolarHBondContact O-CB 3.47Å; I184-S188 PolarHBondContact O-N 3.3Å; I184-S188 PolarHBondContact O-OG 3.2Å; S188-F271 WeakPolarHBondContact O-CB 3.46Å; S188-F271 PolarHBondContact O-N 3.37Å; S188-L272 WeakPolarHBondContact O-CB 3.49Å; S188-L272 PolarHBondContact O-N 3Å
189F85.5Confident87Confident3 Ų326.2 Ų26.21%0.01317%0.166CC..Hα-helixtrans-122.1-1.3-172.6-51.6-80.9000113.8T185 V191 I256 R260 L272 S299 I303T185-F189 WeakPolarHBondContact O-CA 3.34Å; T185-F189 WeakPolarHBondContact O-CB 3.4Å; T185-F189 PolarHBondContact O-N 3.29Å; F189-V191 HydrophobicContact CB-CG2 4.26Å; F189-V191 WeakPolarHBondContact O-CG2 3.38Å; F189-V191 PolarHBondContact O-N 3.33Å; F189-I256 HydrophobicContact CB-CD1 4.4Å; F189-I256 HydrophobicContact CB-CG2 4.23Å; F189-R260 VanDerWaalsContact C-NH2 3.29Å; F189-R260 PolarHBondContact O-NH2 3.31Å; F189-L272 HydrophobicContact CD1-CB 4.02Å; F189-L272 HydrophobicContact CD1-CD2 4.26Å; F189-S299 WeakPolarHBondContact CE1-OG 3.47Å; F189-I303 HydrophobicContact CE2-CD1 3.77Å; F189-I303 HydrophobicContact CE2-CG1 3.51Å; F189-I303 HydrophobicContact CZ-CD1 3.91Å; F189-I303 HydrophobicContact CZ-CG1 3.91Å
190G83.2Confident85.9Confident52 Ų5234 Ų3454%0.53620%0.202SC..SBendtrans65.720.9-17700000113.5T185 S186 D270T185-G190 PolarHBondContact O-N 2.78Å; S186-G190 WeakPolarHBondContact O-CA 3.22Å; S186-G190 PolarHBondContact O-N 3.16Å; G190-D270 PolarHBondContact N-OD2 2.66Å
191V83.6Confident85.2Confident44 Ų4434.6 Ų34.627%0.26721%0.206SC..  trans-112.2129-177-179.30000110.3T185 S186 F189 I193 I256T185-V191 CarbonylContact C-O 3.51Å; T185-V191 VanDerWaalsContact C-O 3.25Å; T185-V191 PolarHBondContact O-N 2.78Å; S186-V191 VanDerWaalsContact CA-O 3.27Å; S186-V191 WeakPolarHBondContact CA-O 3.47Å; S186-V191 PolarHBondContact N-O 2.66Å; S186-V191 VanDerWaalsContact N-O 3.13Å; F189-V191 HydrophobicContact CB-CG2 4.26Å; F189-V191 WeakPolarHBondContact O-CG2 3.38Å; F189-V191 PolarHBondContact O-N 3.33Å; V191-I193 HydrophobicContact CG1-CG1 3.98Å; V191-I256 HydrophobicContact CB-CD1 4.45Å; V191-I256 HydrophobicContact CG2-CB 4.36Å; V191-I256 HydrophobicContact CG2-CD1 3.75Å; V191-I256 HydrophobicContact CG2-CG1 3.79Å; V191-I256 HydrophobicContact CG2-CG2 3.6Å
192S82.1Confident84.8Confident77 Ų7737.4 Ų37.454%0.53822%0.223SC..  trans-95.1115.5170.4-171.60000109.8Y152Y152-S192 WeakPolarHBondContact OH-CB 3.23Å; Y152-S192 PolarHBondContact OH-OG 2.95Å
193I80.3Confident84.2Confident28 Ų2838.5 Ų38.514%0.14423%0.228CC..  trans-95.7-17-179.3-51.4-171.4000111.4T185 V191 S195 D201 F203T185-I193 HydrophobicContact CG2-CD1 3.39Å; T185-I193 HydrophobicContact CG2-CG1 4.25Å; V191-I193 HydrophobicContact CG1-CG1 3.98Å; I193-S195 VanDerWaalsContact C-N 3.27Å; I193-S195 PolarHBondContact O-N 2.78Å; I193-D201 WeakPolarHBondContact CG2-OD1 3.47Å; I193-D201 WeakPolarHBondContact CG2-OD2 3.36Å; I193-F203 HydrophobicContact CD1-CB 4.2Å; I193-F203 HydrophobicContact CD1-CD1 3.68Å; I193-F203 HydrophobicContact CD1-CD2 3.5Å; I193-F203 VanDerWaalsContact CD1-CD2 3.5Å; I193-F203 HydrophobicContact CD1-CE1 3.75Å; I193-F203 HydrophobicContact CD1-CE2 3.59Å; I193-F203 HydrophobicContact CD1-CG 3.52Å; I193-F203 HydrophobicContact CD1-CZ 3.68Å; I193-F203 HydrophobicContact CG2-CD2 4.04Å
194D86.9Confident83.7Confident64 Ų6438.8 Ų38.834%0.34223%0.23SC..  trans53.640.4-179.2-162.728000113.6D182 L196 N197 N198D182-D194 PolarHBondContact OD1-N 3.27Å; D194-L196 PolarHBondContact O-N 3.01Å; D194-N197 VanDerWaalsContact CG-ND2 3.27Å; D194-N197 PolarHBondContact O-N 3.01Å; D194-N197 VanDerWaalsContact O-N 3.12Å; D194-N197 PolarHBondContact OD1-ND2 2.79Å; D194-N197 WeakPolarHBondContact OD2-CB 3.22Å; D194-N197 PolarHBondContact OD2-ND2 3.36Å; D194-N198 PolarHBondContact O-N 3.5Å; D194-N198 VanDerWaalsContact O-N 3.1Å
195S83.6Confident83.4Confident0 Ų043.1 Ų43.10%025%0.25CS..THydrogen-bonded Turntrans-65.9-21.5-179.967.90000112.9A178 D182 I193 N197 N198A178-S195 WeakPolarHBondContact CB-O 3.22Å; A178-S195 PolarHBondContact O-OG 3.42Å; D182-S195 VanDerWaalsContact OD1-CB 3.31Å; D182-S195 WeakPolarHBondContact OD1-CB 3.32Å; D182-S195 PolarHBondContact OD1-N 3.42Å; D182-S195 PolarHBondContact OD1-OG 3.21Å; D182-S195 PolarHBondContact OD2-N 3.49Å; D182-S195 PolarHBondContact OD2-OG 3.08Å; I193-S195 VanDerWaalsContact C-N 3.27Å; I193-S195 PolarHBondContact O-N 2.78Å; S195-N197 VanDerWaalsContact C-N 3.28Å; S195-N197 PolarHBondContact O-N 3.44Å; S195-N198 CarbonylContact O-C 3.57Å; S195-N198 VanDerWaalsContact O-C 3.25Å; S195-N198 PolarHBondContact O-N 3.4Å; S195-N198 VanDerWaalsContact O-O 3.12Å
196L81.6Confident83.1Confident12 Ų1244 Ų446%0.06326%0.255CS..THydrogen-bonded Turntrans-60.9-35.1171.7-83.3166.3000112.8Y152 V155 N159 A178 D182 D194Y152-L196 HydrophobicContact CD1-CD1 4.37Å; V155-L196 HydrophobicContact CB-CD1 3.88Å; V155-L196 HydrophobicContact CG1-CB 3.81Å; V155-L196 HydrophobicContact CG1-CD1 3.67Å; V155-L196 HydrophobicContact CG1-CG 4.34Å; N159-L196 PolarHBondContact ND2-O 3.22Å; A178-L196 HydrophobicContact CB-CD2 3.91Å; A178-L196 HydrophobicContact CB-CG 4.1Å; D182-L196 WeakPolarHBondContact OD2-CB 3.24Å; D182-L196 VanDerWaalsContact OD2-CG 3.31Å; D182-L196 WeakPolarHBondContact OD2-CG 3.36Å; D182-L196 PolarHBondContact OD2-N 3.14Å; D194-L196 PolarHBondContact O-N 3.01Å
197N82.3Confident82.8Confident82 Ų8243.7 Ų43.744%0.43925%0.253SS..THydrogen-bonded Turntrans-95.4-16.6176.6-63.3-39.5000112.9N159 D194 S195 P199N159-N197 PolarHBondContact ND2-OD1 3.38Å; N159-N197 VanDerWaalsContact ND2-OD1 3.15Å; N159-N197 PolarHBondContact OD1-OD1 3.42Å; D194-N197 VanDerWaalsContact CG-ND2 3.27Å; D194-N197 PolarHBondContact O-N 3.01Å; D194-N197 VanDerWaalsContact O-N 3.12Å; D194-N197 PolarHBondContact OD1-ND2 2.79Å; D194-N197 WeakPolarHBondContact OD2-CB 3.22Å; D194-N197 PolarHBondContact OD2-ND2 3.36Å; S195-N197 VanDerWaalsContact C-N 3.28Å; S195-N197 PolarHBondContact O-N 3.44Å; N197-P199 WeakPolarHBondContact O-CD 3.4Å
198N82.5Confident82.5Confident72 Ų7247 Ų4739%0.38527%0.267SS..  trans-119.786.9176.3-172.56.2000112.3D194 S195 Q200 D201D194-N198 PolarHBondContact O-N 3.5Å; D194-N198 VanDerWaalsContact O-N 3.1Å; S195-N198 CarbonylContact O-C 3.57Å; S195-N198 VanDerWaalsContact O-C 3.25Å; S195-N198 PolarHBondContact O-N 3.4Å; S195-N198 VanDerWaalsContact O-O 3.12Å; N198-Q200 PolarHBondContact O-N 2.85Å; N198-Q200 VanDerWaalsContact O-N 3.09Å; N198-Q200 PolarHBondContact OD1-N 3.07Å; N198-D201 HydrophobicContact CB-CB 4.43Å; N198-D201 WeakPolarHBondContact O-CB 3.29Å; N198-D201 PolarHBondContact O-N 3.34Å
199P66.8Low82.4Confident99 Ų9950.1 Ų50.164%0.64328%0.28SS*.THydrogen-bonded Turntrans-63-18.5-179.1-21.832.5000114.8N197 D201N197-P199 WeakPolarHBondContact O-CD 3.4Å; P199-D201 VanDerWaalsContact C-N 3.3Å
200Q72.4Confident82.2Confident164 Ų16451.1 Ų51.177%0.76629%0.286SS*.THydrogen-bonded Turntrans-96.117.9176.2-60.3-175.91600111.9N198N198-Q200 PolarHBondContact O-N 2.85Å; N198-Q200 VanDerWaalsContact O-N 3.09Å; N198-Q200 PolarHBondContact OD1-N 3.07Å
201D80.9Confident81.7Confident12 Ų1250.2 Ų50.26%0.06427%0.268CS..  trans-54.8130.9179.4177.9-96.1000111.6I193 N198 P199 F203 V204 E205I193-D201 WeakPolarHBondContact CG2-OD1 3.47Å; I193-D201 WeakPolarHBondContact CG2-OD2 3.36Å; N198-D201 HydrophobicContact CB-CB 4.43Å; N198-D201 WeakPolarHBondContact O-CB 3.29Å; N198-D201 PolarHBondContact O-N 3.34Å; P199-D201 VanDerWaalsContact C-N 3.3Å; D201-F203 PolarHBondContact O-N 2.86Å; D201-F203 WeakPolarHBondContact OD1-CA 3.32Å; D201-F203 WeakPolarHBondContact OD1-CB 3.37Å; D201-F203 PolarHBondContact OD1-N 2.87Å; D201-V204 HydrophobicContact CB-CG2 4.37Å; D201-V204 PolarHBondContact O-N 3.07Å; D201-V204 VanDerWaalsContact O-N 3.11Å; D201-V204 PolarHBondContact OD1-N 3.23Å; D201-E205 PolarHBondContact O-N 3.32Å
202P84.6Confident81Confident58 Ų5858 Ų5838%0.37729%0.293SS..Hα-helixtrans-56.3-31.6-178.9-29.937000114.6N206 F248P202-N206 WeakPolarHBondContact O-CB 3.46Å; P202-N206 PolarHBondContact O-N 3.09Å; P202-N206 PolarHBondContact O-ND2 3.1Å; P202-F248 HydrophobicContact CB-CE1 4.34Å; P202-F248 HydrophobicContact CB-CE2 3.87Å; P202-F248 HydrophobicContact CB-CZ 3.55Å
203F82.7Confident80.3Confident23 Ų2356.7 Ų56.710%0.10128%0.277CS..Hα-helixtrans-68.5-44.8176.7-78.9-109000111.3M181 T185 I193 D201 T207 F248 L249M181-F203 HydrophobicContact CE-CB 4.31Å; M181-F203 HydrophobicContact CG-CB 4.27Å; M181-F203 HydrophobicContact SD-CB 4.03Å; T185-F203 HydrophobicContact CG2-CD1 4.48Å; I193-F203 HydrophobicContact CD1-CB 4.2Å; I193-F203 HydrophobicContact CD1-CD1 3.68Å; I193-F203 HydrophobicContact CD1-CD2 3.5Å; I193-F203 VanDerWaalsContact CD1-CD2 3.5Å; I193-F203 HydrophobicContact CD1-CE1 3.75Å; I193-F203 HydrophobicContact CD1-CE2 3.59Å; I193-F203 HydrophobicContact CD1-CG 3.52Å; I193-F203 HydrophobicContact CD1-CZ 3.68Å; I193-F203 HydrophobicContact CG2-CD2 4.04Å; D201-F203 PolarHBondContact O-N 2.86Å; D201-F203 WeakPolarHBondContact OD1-CA 3.32Å; D201-F203 WeakPolarHBondContact OD1-CB 3.37Å; D201-F203 PolarHBondContact OD1-N 2.87Å; F203-T207 WeakPolarHBondContact O-CB 3.39Å; F203-T207 PolarHBondContact O-N 3.19Å; F203-T207 PolarHBondContact O-OG1 3.31Å; F203-F248 HydrophobicContact CD1-CE1 4.47Å; F203-F248 AromaticContact CD2-CE1 3.96Å; F203-F248 HydrophobicContact CD2-CE1 3.96Å; F203-F248 AromaticContact CD2-CZ 3.91Å; F203-F248 HydrophobicContact CD2-CZ 3.91Å; F203-F248 HydrophobicContact CE2-CE1 4.17Å; F203-F248 AromaticContact CE2-CZ 3.98Å; F203-F248 HydrophobicContact CE2-CZ 3.98Å; F203-F248 HydrophobicContact CG-CE1 4.14Å; F203-L249 HydrophobicContact CD1-CD2 4.09Å; F203-L249 HydrophobicContact CE1-CD2 4.32Å
204V83.6Confident79.9Confident6 Ų659.1 Ų59.14%0.03629%0.291CS..Hα-helixtrans-62.3-46.9177.2176.10000110.3M181 D201 T207 K208 Y307M181-V204 HydrophobicContact CB-CG2 3.89Å; M181-V204 HydrophobicContact CG-CG2 3.82Å; D201-V204 HydrophobicContact CB-CG2 4.37Å; D201-V204 PolarHBondContact O-N 3.07Å; D201-V204 VanDerWaalsContact O-N 3.11Å; D201-V204 PolarHBondContact OD1-N 3.23Å; V204-T207 PolarHBondContact O-N 3.19Å; V204-K208 HydrophobicContact CG1-CD 4.1Å; V204-K208 VanDerWaalsContact CG1-CE 3.49Å; V204-K208 HydrophobicContact CG1-CG 4.48Å; V204-K208 WeakPolarHBondContact O-CB 3.34Å; V204-K208 VanDerWaalsContact O-CG 3.26Å; V204-K208 WeakPolarHBondContact O-CG 3.02Å; V204-K208 PolarHBondContact O-N 2.93Å; V204-Y307 HydrophobicContact CG1-CE2 4.17Å; V204-Y307 HydrophobicContact CG2-CE2 4.49Å
205E87.1Confident79Confident96 Ų9656.5 Ų56.545%0.44928%0.277SS..Hα-helixtrans-65.3-43.6-178-158-157.9143.100112.6D201 K209D201-E205 PolarHBondContact O-N 3.32Å; E205-K209 WeakPolarHBondContact O-CG 3.5Å; E205-K209 PolarHBondContact O-N 3.46Å; E205-K209 VanDerWaalsContact OE1-CE 3.31Å; E205-K209 WeakPolarHBondContact OE1-CE 3.08Å; E205-K209 IonicContact OE1-NZ 3.79Å; E205-K209 PolarHBondContact OE1-NZ 2.84Å
206N86.8Confident78.6Confident21 Ų2158.9 Ų58.911%0.11229%0.29CS..Hα-helixtrans-69.5-40178.1-78.8-68.9000111.8P202 K209 V245 F248P202-N206 WeakPolarHBondContact O-CB 3.46Å; P202-N206 PolarHBondContact O-N 3.09Å; P202-N206 PolarHBondContact O-ND2 3.1Å; N206-K209 WeakPolarHBondContact O-CB 3.14Å; N206-K209 PolarHBondContact O-N 2.99Å; N206-K209 VanDerWaalsContact O-N 3.15Å; N206-V245 HydrophobicContact CB-CG1 4.12Å; N206-V245 HydrophobicContact CB-CG2 4.34Å; N206-V245 VanDerWaalsContact O-CG1 3.29Å; N206-V245 WeakPolarHBondContact O-CG1 3.47Å; N206-F248 HydrophobicContact CB-CD1 3.96Å; N206-F248 HydrophobicContact CB-CE1 4.4Å
207T85Confident78.8Confident0 Ų061.3 Ų61.30%030%0.303CS..Hα-helixtrans-67.3-38.3178.3-53.50000111.5M181 F203 V204 K209 L210 I303 F304 Y307M181-T207 HydrophobicContact CE-CG2 4Å; M181-T207 VanDerWaalsContact CE-OG1 3.31Å; M181-T207 WeakPolarHBondContact CE-OG1 3.48Å; F203-T207 WeakPolarHBondContact O-CB 3.39Å; F203-T207 PolarHBondContact O-N 3.19Å; F203-T207 PolarHBondContact O-OG1 3.31Å; V204-T207 PolarHBondContact O-N 3.19Å; T207-K209 PolarHBondContact O-N 3.36Å; T207-L210 WeakPolarHBondContact O-CB 2.95Å; T207-L210 PolarHBondContact O-N 3.25Å; T207-I303 HydrophobicContact CG2-CG2 4.29Å; T207-F304 HydrophobicContact CG2-CD2 4.5Å; T207-Y307 HydrophobicContact CG2-CD1 3.52Å; T207-Y307 HydrophobicContact CG2-CE1 4.26Å; T207-Y307 HydrophobicContact CG2-CG 4.01Å
208K84.4Confident79Confident70 Ų7062.3 Ų62.330%0.30431%0.314SS..Hα-helixtrans-57.1-32.2172.5-78174.3-178.6173.60112.8V204 L210 L211 Y307V204-K208 HydrophobicContact CG1-CD 4.1Å; V204-K208 VanDerWaalsContact CG1-CE 3.49Å; V204-K208 HydrophobicContact CG1-CG 4.48Å; V204-K208 WeakPolarHBondContact O-CB 3.34Å; V204-K208 VanDerWaalsContact O-CG 3.26Å; V204-K208 WeakPolarHBondContact O-CG 3.02Å; V204-K208 PolarHBondContact O-N 2.93Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 PolarHBondContact O-N 2.62Å; K208-L211 WeakPolarHBondContact O-CB 3.26Å; K208-L211 PolarHBondContact O-N 2.8Å; K208-Y307 WeakPolarHBondContact CE-OH 3.22Å; K208-Y307 HydrophobicContact CG-CE1 4.06Å; K208-Y307 WeakPolarHBondContact CG-OH 3.39Å
209K85.3Confident79.2Confident70 Ų7062.3 Ų62.330%0.30431%0.31SS..Hα-helixtrans-71.4-23178.9-69.6167.7-171.4166.40112.6E205 N206 T207 L211 R212 V245E205-K209 WeakPolarHBondContact O-CG 3.5Å; E205-K209 PolarHBondContact O-N 3.46Å; E205-K209 VanDerWaalsContact OE1-CE 3.31Å; E205-K209 WeakPolarHBondContact OE1-CE 3.08Å; E205-K209 IonicContact OE1-NZ 3.79Å; E205-K209 PolarHBondContact OE1-NZ 2.84Å; N206-K209 WeakPolarHBondContact O-CB 3.14Å; N206-K209 PolarHBondContact O-N 2.99Å; N206-K209 VanDerWaalsContact O-N 3.15Å; T207-K209 PolarHBondContact O-N 3.36Å; K209-L211 PolarHBondContact O-N 2.63Å; K209-R212 PolarHBondContact O-N 3.35Å; K209-V245 HydrophobicContact CB-CG2 3.76Å; K209-V245 HydrophobicContact CD-CG2 4.14Å
210L81.3Confident80.1Confident24 Ų2458.1 Ų58.113%0.12628%0.283CS..Hα-helixtrans-66.1-20.7171.8-62.1177.4000112.7T207 K208 F241 V245 I246 L249 F304T207-L210 WeakPolarHBondContact O-CB 2.95Å; T207-L210 PolarHBondContact O-N 3.25Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 PolarHBondContact O-N 2.62Å; L210-F241 HydrophobicContact CD2-CD1 4.33Å; L210-V245 HydrophobicContact CD1-CG1 4.29Å; L210-V245 HydrophobicContact CD2-CB 4.31Å; L210-V245 HydrophobicContact CD2-CG1 3.54Å; L210-V245 HydrophobicContact CG-CG1 3.76Å; L210-I246 HydrophobicContact CD2-CD1 4.45Å; L210-L249 HydrophobicContact CD1-CD1 4.19Å; L210-F304 HydrophobicContact CB-CD2 3.75Å; L210-F304 HydrophobicContact CB-CE2 3.86Å; L210-F304 HydrophobicContact CD1-CB 4.3Å; L210-F304 HydrophobicContact CD1-CD2 3.94Å
211L72.6Confident80.9Confident33 Ų3352.3 Ų52.317%0.17326%0.257CS..THydrogen-bonded Turntrans-84.1-12.7-178.2-58.8165.2000114.2K208 K209 F213 F304 Y307 E308 L482K208-L211 WeakPolarHBondContact O-CB 3.26Å; K208-L211 PolarHBondContact O-N 2.8Å; K209-L211 PolarHBondContact O-N 2.63Å; L211-F213 PolarHBondContact O-N 3.45Å; L211-F304 HydrophobicContact CD2-CD2 4.45Å; L211-F304 HydrophobicContact CD2-CE2 3.38Å; L211-F304 HydrophobicContact CD2-CZ 3.71Å; L211-F304 HydrophobicContact CG-CE2 4.09Å; L211-Y307 HydrophobicContact CD1-CE1 4.47Å; L211-E308 HydrophobicContact CD1-CG 4.17Å; L211-E308 WeakPolarHBondContact CD1-OE2 3.43Å; L211-E308 HydrophobicContact CD2-CB 3.81Å; L211-E308 HydrophobicContact CD2-CG 3.29Å; L211-E308 HydrophobicContact CG-CG 4.33Å; L211-L482 HydrophobicContact CD2-CD1 4.12Å
212R68.5Low81.2Confident207 Ų20753.7 Ų53.778%0.78127%0.268SS*.  trans-74.525.9-177.2-65-171.4176.9-171.7-0.5112.8K209 N214K209-R212 PolarHBondContact O-N 3.35Å; R212-N214 PolarHBondContact O-N 3.27Å; R212-N214 VanDerWaalsContact O-N 3.14Å
213F66.8Low81.5Confident49 Ų4951.4 Ų51.422%0.21525%0.252CS..  trans-73.2103.9174.3-171.7-94.8000109.8F108 L211 P215 V220F108-F213 HydrophobicContact CD1-CE2 4Å; F108-F213 AromaticContact CD1-CZ 3.89Å; F108-F213 HydrophobicContact CD1-CZ 3.89Å; F108-F213 AromaticContact CE1-CD1 3.91Å; F108-F213 HydrophobicContact CE1-CD1 3.91Å; F108-F213 AromaticContact CE1-CD2 3.97Å; F108-F213 HydrophobicContact CE1-CD2 3.97Å; F108-F213 AromaticContact CE1-CE1 3.36Å; F108-F213 HydrophobicContact CE1-CE1 3.36Å; F108-F213 AromaticContact CE1-CE2 3.43Å; F108-F213 HydrophobicContact CE1-CE2 3.43Å; F108-F213 VanDerWaalsContact CE1-CE2 3.43Å; F108-F213 HydrophobicContact CE1-CG 4.19Å; F108-F213 AromaticContact CE1-CZ 3.08Å; F108-F213 HydrophobicContact CE1-CZ 3.08Å; F108-F213 HydrophobicContact CZ-CD1 4.12Å; F108-F213 AromaticContact CZ-CE1 3.51Å; F108-F213 HydrophobicContact CZ-CE1 3.51Å; F108-F213 HydrophobicContact CZ-CE2 4.4Å; F108-F213 AromaticContact CZ-CZ 3.68Å; F108-F213 HydrophobicContact CZ-CZ 3.68Å; L211-F213 PolarHBondContact O-N 3.45Å; F213-P215 HydrophobicContact CE1-CB 4.36Å; F213-V220 HydrophobicContact CD2-CG2 4.28Å; F213-V220 HydrophobicContact CE1-CG1 4.47Å; F213-V220 HydrophobicContact CE2-CB 4.42Å; F213-V220 HydrophobicContact CE2-CG1 4.02Å; F213-V220 HydrophobicContact CE2-CG2 3.49Å; F213-V220 VanDerWaalsContact CE2-CG2 3.49Å; F213-V220 HydrophobicContact CZ-CB 4.37Å; F213-V220 HydrophobicContact CZ-CG1 3.54Å; F213-V220 HydrophobicContact CZ-CG2 3.9Å
214N71.4Confident81.8Confident79 Ų7952.2 Ų52.242%0.42226%0.256SS..  trans-95.8118.8169.9-179.3-0.7000108.4R212 L216 D217R212-N214 PolarHBondContact O-N 3.27Å; R212-N214 VanDerWaalsContact O-N 3.14Å; N214-L216 PolarHBondContact O-N 3.12Å; N214-L216 VanDerWaalsContact O-N 3.1Å; N214-L216 PolarHBondContact OD1-N 3.28Å; N214-D217 HydrophobicContact CB-CB 4.22Å; N214-D217 WeakPolarHBondContact O-CB 3.45Å; N214-D217 PolarHBondContact O-N 2.74Å
215P68.9Low82.1Confident10 Ų1052.4 Ų52.47%0.06526%0.257CS..THydrogen-bonded Turntrans-63.9-15.8179.326.9-35.4000113.9Y57 F213Y57-P215 HydrophobicContact CE2-CB 4.11Å; Y57-P215 HydrophobicContact CE2-CG 3.93Å; Y57-P215 WeakPolarHBondContact OH-CB 3.4Å; F213-P215 HydrophobicContact CE1-CB 4.36Å
216L76.1Confident82.3Confident49 Ų4951.1 Ų51.126%0.25725%0.25SC..THydrogen-bonded Turntrans-100.98.9175.7-57.6178.1000113R54 N214R54-L216 HydrophobicContact CB-CD1 4.26Å; R54-L216 HydrophobicContact CG-CD1 3.43Å; R54-L216 VanDerWaalsContact CG-CD1 3.43Å; N214-L216 PolarHBondContact O-N 3.12Å; N214-L216 VanDerWaalsContact O-N 3.1Å; N214-L216 PolarHBondContact OD1-N 3.28Å
217D83.9Confident82.4Confident64 Ų6453.4 Ų53.434%0.34227%0.266SS..  trans-57.6133.1171.4179.4-91000110.1N214 F219 V220 L221N214-D217 HydrophobicContact CB-CB 4.22Å; N214-D217 WeakPolarHBondContact O-CB 3.45Å; N214-D217 PolarHBondContact O-N 2.74Å; D217-F219 PolarHBondContact O-N 2.62Å; D217-F219 WeakPolarHBondContact OD1-CA 3.19Å; D217-F219 VanDerWaalsContact OD1-CB 3.24Å; D217-F219 WeakPolarHBondContact OD1-CB 3.45Å; D217-F219 PolarHBondContact OD1-N 3.24Å; D217-V220 HydrophobicContact CB-CB 4.18Å; D217-V220 HydrophobicContact CB-CG2 3.99Å; D217-V220 PolarHBondContact O-N 3.28Å; D217-V220 VanDerWaalsContact O-N 3.1Å; D217-V220 PolarHBondContact OD1-N 3.06Å; D217-L221 WeakPolarHBondContact O-CB 3.31Å; D217-L221 PolarHBondContact O-N 3.43Å
218P86.6Confident82.6Confident103 Ų10359 Ų5967%0.66929%0.291SS*.Hα-helixtrans-57-33.4-175.8-27.235000114.2S222P218-S222 WeakPolarHBondContact O-CB 3.42Å; P218-S222 PolarHBondContact O-N 3.17Å; P218-S222 PolarHBondContact O-OG 3.25Å
219F88Confident82.9Confident71 Ų7158.3 Ų58.331%0.31129%0.289SS..Hα-helixtrans-72.5-42.5177.6174.9-102.7000111.3D217 L221 S222 I223 L233 I238 V240D217-F219 PolarHBondContact O-N 2.62Å; D217-F219 WeakPolarHBondContact OD1-CA 3.19Å; D217-F219 VanDerWaalsContact OD1-CB 3.24Å; D217-F219 WeakPolarHBondContact OD1-CB 3.45Å; D217-F219 PolarHBondContact OD1-N 3.24Å; F219-L221 VanDerWaalsContact C-N 3.35Å; F219-S222 PolarHBondContact O-N 2.65Å; F219-S222 PolarHBondContact O-OG 2.91Å; F219-I223 HydrophobicContact CD1-CD1 3.87Å; F219-I223 HydrophobicContact CD2-CD1 4.45Å; F219-I223 HydrophobicContact CE1-CD1 3.41Å; F219-I223 VanDerWaalsContact CE1-CD1 3.41Å; F219-I223 HydrophobicContact CE2-CD1 4.05Å; F219-I223 HydrophobicContact CG-CD1 4.36Å; F219-I223 HydrophobicContact CZ-CD1 3.51Å; F219-I223 HydrophobicContact CZ-CG1 4.49Å; F219-I223 WeakPolarHBondContact O-CD1 3.44Å; F219-I223 WeakPolarHBondContact O-CG1 3.32Å; F219-I223 PolarHBondContact O-N 2.79Å; F219-L233 HydrophobicContact CE2-CD1 4.09Å; F219-L233 HydrophobicContact CE2-CD2 4.44Å; F219-L233 HydrophobicContact CZ-CD1 4.16Å; F219-I238 HydrophobicContact CE2-CG2 3.97Å; F219-I238 HydrophobicContact CZ-CG2 3.63Å; F219-V240 HydrophobicContact CE1-CG1 4.27Å
220V86Confident83.2Confident12 Ų1256.4 Ų56.47%0.07328%0.284CS..Hα-helixtrans-63.6-43174.5175.20000111F213 D217 I223 K224F213-V220 HydrophobicContact CD2-CG2 4.28Å; F213-V220 HydrophobicContact CE1-CG1 4.47Å; F213-V220 HydrophobicContact CE2-CB 4.42Å; F213-V220 HydrophobicContact CE2-CG1 4.02Å; F213-V220 HydrophobicContact CE2-CG2 3.49Å; F213-V220 VanDerWaalsContact CE2-CG2 3.49Å; F213-V220 HydrophobicContact CZ-CB 4.37Å; F213-V220 HydrophobicContact CZ-CG1 3.54Å; F213-V220 HydrophobicContact CZ-CG2 3.9Å; D217-V220 HydrophobicContact CB-CB 4.18Å; D217-V220 HydrophobicContact CB-CG2 3.99Å; D217-V220 PolarHBondContact O-N 3.28Å; D217-V220 VanDerWaalsContact O-N 3.1Å; D217-V220 PolarHBondContact OD1-N 3.06Å; V220-I223 PolarHBondContact O-N 3.49Å; V220-K224 HydrophobicContact CG1-CD 4.31Å; V220-K224 WeakPolarHBondContact O-CG 3.25Å; V220-K224 PolarHBondContact O-N 3.32Å; V220-K224 VanDerWaalsContact O-N 3.1Å
221L87.7Confident83.7Confident42 Ų4259.5 Ų59.522%0.2231%0.305CS..Hα-helixtrans-65.4-40.8-179.4-170.365.7000111.5L47 A50 D217 F219 I223 K224 V225L47-L221 HydrophobicContact CD2-CD1 4.03Å; L47-L221 HydrophobicContact CD2-CD2 3.93Å; L47-L221 HydrophobicContact CD2-CG 4.21Å; A50-L221 HydrophobicContact CB-CD1 4.48Å; D217-L221 WeakPolarHBondContact O-CB 3.31Å; D217-L221 PolarHBondContact O-N 3.43Å; F219-L221 VanDerWaalsContact C-N 3.35Å; L221-I223 PolarHBondContact O-N 3.42Å; L221-K224 PolarHBondContact O-N 3.4Å; L221-V225 HydrophobicContact CD1-CG2 4.45Å; L221-V225 HydrophobicContact CG-CG2 4.37Å; L221-V225 VanDerWaalsContact O-CG2 3.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.33Å; L221-V225 PolarHBondContact O-N 3.11Å
222S88.9Confident84.6Confident41 Ų4162.3 Ų62.329%0.28732%0.32SS..Hα-helixtrans-63.5-40.4177.768.40000112P218 F219 K224 V225 F226P218-S222 WeakPolarHBondContact O-CB 3.42Å; P218-S222 PolarHBondContact O-N 3.17Å; P218-S222 PolarHBondContact O-OG 3.25Å; F219-S222 PolarHBondContact O-N 2.65Å; F219-S222 PolarHBondContact O-OG 2.91Å; S222-K224 VanDerWaalsContact C-N 3.34Å; S222-K224 PolarHBondContact O-N 3.34Å; S222-V225 PolarHBondContact O-N 3.4Å; S222-F226 WeakPolarHBondContact O-CB 3.39Å; S222-F226 WeakPolarHBondContact O-CD2 3.43Å; S222-F226 PolarHBondContact O-N 3.06Å
223I90.1Very high85.8Confident10 Ų1053.7 Ų53.75%0.05129%0.289CS..Hα-helixtrans-62-41.7174.1-68.1160.1000111.3P110 F219 V220 L221 F226 P227 L233 V240P110-I223 HydrophobicContact CG-CD1 3.93Å; F219-I223 HydrophobicContact CD1-CD1 3.87Å; F219-I223 HydrophobicContact CD2-CD1 4.45Å; F219-I223 HydrophobicContact CE1-CD1 3.41Å; F219-I223 VanDerWaalsContact CE1-CD1 3.41Å; F219-I223 HydrophobicContact CE2-CD1 4.05Å; F219-I223 HydrophobicContact CG-CD1 4.36Å; F219-I223 HydrophobicContact CZ-CD1 3.51Å; F219-I223 HydrophobicContact CZ-CG1 4.49Å; F219-I223 WeakPolarHBondContact O-CD1 3.44Å; F219-I223 WeakPolarHBondContact O-CG1 3.32Å; F219-I223 PolarHBondContact O-N 2.79Å; V220-I223 PolarHBondContact O-N 3.49Å; L221-I223 PolarHBondContact O-N 3.42Å; I223-F226 CarbonylContact O-C 3.55Å; I223-F226 VanDerWaalsContact O-C 3.29Å; I223-P227 VanDerWaalsContact O-CA 3.24Å; I223-P227 WeakPolarHBondContact O-CA 3.49Å; I223-L233 HydrophobicContact CD1-CD1 4.01Å; I223-L233 HydrophobicContact CG1-CD1 3.67Å; I223-V240 HydrophobicContact CD1-CG1 4.2Å
224K88.4Confident87Confident39 Ų3954 Ų5417%0.1729%0.291CS..Hα-helixtrans-70.7-37-179.8-71.9-179.3175.3-164.40113.3D76 C77 V220 L221 S222D76-K224 IonicContact OD1-NZ 3.07Å; D76-K224 PolarHBondContact OD1-NZ 2.94Å; D76-K224 WeakPolarHBondContact OD2-CE 3.46Å; D76-K224 IonicContact OD2-NZ 2.72Å; D76-K224 PolarHBondContact OD2-NZ 2.98Å; C77-K224 HydrophobicContact CB-CB 4.05Å; V220-K224 HydrophobicContact CG1-CD 4.31Å; V220-K224 WeakPolarHBondContact O-CG 3.25Å; V220-K224 PolarHBondContact O-N 3.32Å; V220-K224 VanDerWaalsContact O-N 3.1Å; L221-K224 PolarHBondContact O-N 3.4Å; S222-K224 VanDerWaalsContact C-N 3.34Å; S222-K224 PolarHBondContact O-N 3.34Å
225V90.9Very high87.9Confident10 Ų1054 Ų546%0.06130%0.303CS..Hα-helixtrans-73.7-40177.31740000110.7Y25 F46 L47 C77 L221 S222 P227Y25-V225 PolarHBondContact OH-O 3.37Å; F46-V225 HydrophobicContact CB-CG1 3.95Å; F46-V225 HydrophobicContact CD1-CG1 3.77Å; F46-V225 HydrophobicContact CG-CG1 4.35Å; L47-V225 HydrophobicContact CD2-CG2 4.18Å; C77-V225 HydrophobicContact CB-CG2 4.12Å; L221-V225 HydrophobicContact CD1-CG2 4.45Å; L221-V225 HydrophobicContact CG-CG2 4.37Å; L221-V225 VanDerWaalsContact O-CG2 3.31Å; L221-V225 WeakPolarHBondContact O-CG2 3.33Å; L221-V225 PolarHBondContact O-N 3.11Å; S222-V225 PolarHBondContact O-N 3.4Å; V225-P227 VanDerWaalsContact C-CD 3.4Å; V225-P227 VanDerWaalsContact O-CD 3.23Å; V225-P227 WeakPolarHBondContact O-CD 3.34Å
226F90.9Very high89Confident70 Ų7058.7 Ų58.731%0.30733%0.326SS..  trans-118.669.3-177.7-52.5-68.6000111.2Y25 F46 S222 I223 F228 L229Y25-F226 AromaticContact CE1-CD1 3.86Å; Y25-F226 HydrophobicContact CE1-CD1 3.86Å; Y25-F226 AromaticContact CE1-CE1 3.89Å; Y25-F226 HydrophobicContact CE1-CE1 3.89Å; F46-F226 HydrophobicContact CE1-CE1 4.46Å; S222-F226 WeakPolarHBondContact O-CB 3.39Å; S222-F226 WeakPolarHBondContact O-CD2 3.43Å; S222-F226 PolarHBondContact O-N 3.06Å; I223-F226 CarbonylContact O-C 3.55Å; I223-F226 VanDerWaalsContact O-C 3.29Å; F226-F228 HydrophobicContact CB-CD1 4.3Å; F226-F228 HydrophobicContact CB-CE1 3.75Å; F226-F228 HydrophobicContact CB-CZ 3.89Å; F226-F228 AromaticContact CD1-CE1 3.8Å; F226-F228 HydrophobicContact CD1-CE1 3.8Å; F226-F228 AromaticContact CD1-CZ 3.99Å; F226-F228 HydrophobicContact CD1-CZ 3.99Å; F226-F228 HydrophobicContact CG-CE1 4.23Å; F226-F228 HydrophobicContact CG-CZ 4.27Å; F226-F228 PolarHBondContact O-N 3.25Å; F226-L229 HydrophobicContact CB-CD1 3.71Å; F226-L229 HydrophobicContact CB-CG 3.88Å; F226-L229 HydrophobicContact CD2-CD1 4.45Å; F226-L229 HydrophobicContact CG-CD1 4.42Å; F226-L229 WeakPolarHBondContact O-CB 3.45Å; F226-L229 PolarHBondContact O-N 3.29Å
227P88.2Confident89.7Confident68 Ų6862 Ų6244%0.44234%0.344SS..G310 helixtrans-61.4-22.9-173.723.5-34.3000113.7I223 V225 L229 T230I223-P227 VanDerWaalsContact O-CA 3.24Å; I223-P227 WeakPolarHBondContact O-CA 3.49Å; V225-P227 VanDerWaalsContact C-CD 3.4Å; V225-P227 VanDerWaalsContact O-CD 3.23Å; V225-P227 WeakPolarHBondContact O-CD 3.34Å; P227-L229 PolarHBondContact O-N 2.95Å; P227-T230 VanDerWaalsContact O-CB 3.28Å; P227-T230 WeakPolarHBondContact O-CB 3.33Å; P227-T230 PolarHBondContact O-N 3.42Å; P227-T230 PolarHBondContact O-OG1 3.21Å
228F89.4Confident90Very high119 Ų11961.7 Ų61.752%0.52234%0.342SS..G310 helixtrans-64.5-14.9174.266.3-99.3000113.8Y25 F226 T230 P231Y25-F228 HydrophobicContact CE2-CE1 4.48Å; Y25-F228 WeakPolarHBondContact OH-CE1 3.21Å; F226-F228 HydrophobicContact CB-CD1 4.3Å; F226-F228 HydrophobicContact CB-CE1 3.75Å; F226-F228 HydrophobicContact CB-CZ 3.89Å; F226-F228 AromaticContact CD1-CE1 3.8Å; F226-F228 HydrophobicContact CD1-CE1 3.8Å; F226-F228 AromaticContact CD1-CZ 3.99Å; F226-F228 HydrophobicContact CD1-CZ 3.99Å; F226-F228 HydrophobicContact CG-CE1 4.23Å; F226-F228 HydrophobicContact CG-CZ 4.27Å; F226-F228 PolarHBondContact O-N 3.25Å; F228-T230 VanDerWaalsContact C-N 3.29Å; F228-P231 WeakPolarHBondContact O-CD 3.18Å
229L91.2Very high90.1Very high54 Ų5458.3 Ų58.328%0.28332%0.32SS..G310 helixtrans-74.6-20.7172-63.7179.8000112.2F226 P227 I232 L233F226-L229 HydrophobicContact CB-CD1 3.71Å; F226-L229 HydrophobicContact CB-CG 3.88Å; F226-L229 HydrophobicContact CD2-CD1 4.45Å; F226-L229 HydrophobicContact CG-CD1 4.42Å; F226-L229 WeakPolarHBondContact O-CB 3.45Å; F226-L229 PolarHBondContact O-N 3.29Å; P227-L229 PolarHBondContact O-N 2.95Å; L229-I232 HydrophobicContact CD2-CD1 4.28Å; L229-I232 WeakPolarHBondContact O-CB 3.23Å; L229-I232 PolarHBondContact O-N 3.47Å; L229-I232 VanDerWaalsContact O-N 3.11Å; L229-L233 HydrophobicContact CB-CD1 4.41Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.35Å
230T91.1Very high90.1Very high30 Ų3056.3 Ų56.318%0.18431%0.313CS..Hα-helixtrans-56.6-49.4-175.4-53.70000112.9P110 P227 F228 I232 L233 E234P110-T230 HydrophobicContact CB-CG2 4.19Å; P227-T230 VanDerWaalsContact O-CB 3.28Å; P227-T230 WeakPolarHBondContact O-CB 3.33Å; P227-T230 PolarHBondContact O-N 3.42Å; P227-T230 PolarHBondContact O-OG1 3.21Å; F228-T230 VanDerWaalsContact C-N 3.29Å; T230-I232 VanDerWaalsContact C-N 3.28Å; T230-I232 PolarHBondContact O-N 3.17Å; T230-L233 PolarHBondContact O-N 3.2Å; T230-E234 WeakPolarHBondContact O-CG 3.43Å; T230-E234 PolarHBondContact O-N 2.69Å
231P91.4Very high90.2Very high89 Ų8958.2 Ų58.258%0.57832%0.32SS*.Hα-helixtrans-63.1-33.4177.7-21.635.1000113.1F228 A235F228-P231 WeakPolarHBondContact O-CD 3.18Å; P231-A235 WeakPolarHBondContact O-CB 3.36Å; P231-A235 PolarHBondContact O-N 2.87Å
232I93.1Very high90.2Very high93 Ų9358.8 Ų58.848%0.47733%0.326SS..Hα-helixtrans-67.6-46.8177-57.2174.6000109.8L229 T230 E234 A235 L236L229-I232 HydrophobicContact CD2-CD1 4.28Å; L229-I232 WeakPolarHBondContact O-CB 3.23Å; L229-I232 PolarHBondContact O-N 3.47Å; L229-I232 VanDerWaalsContact O-N 3.11Å; T230-I232 VanDerWaalsContact C-N 3.28Å; T230-I232 PolarHBondContact O-N 3.17Å; I232-E234 VanDerWaalsContact C-N 3.34Å; I232-E234 PolarHBondContact O-N 3.22Å; I232-A235 PolarHBondContact O-N 2.97Å; I232-L236 HydrophobicContact CG2-CD1 4.19Å; I232-L236 WeakPolarHBondContact O-CG 3.49Å; I232-L236 PolarHBondContact O-N 2.89Å
233L92.7Very high90.2Very high25 Ų2563.7 Ų63.713%0.13134%0.339CS..Hα-helixtrans-63.5-39.7177.8-66.7173.5000111.8P110 F219 I223 L229 T230 L236 N237 I238P110-L233 HydrophobicContact CB-CB 4.06Å; P110-L233 HydrophobicContact CG-CB 3.97Å; P110-L233 HydrophobicContact CG-CD1 4.12Å; F219-L233 HydrophobicContact CE2-CD1 4.09Å; F219-L233 HydrophobicContact CE2-CD2 4.44Å; F219-L233 HydrophobicContact CZ-CD1 4.16Å; I223-L233 HydrophobicContact CD1-CD1 4.01Å; I223-L233 HydrophobicContact CG1-CD1 3.67Å; L229-L233 HydrophobicContact CB-CD1 4.41Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.35Å; T230-L233 PolarHBondContact O-N 3.2Å; L233-L236 CarbonylContact O-C 3.5Å; L233-L236 PolarHBondContact O-N 2.78Å; L233-N237 PolarHBondContact O-N 3.25Å; L233-I238 HydrophobicContact CB-CB 4.3Å; L233-I238 HydrophobicContact CD2-CB 4.18Å; L233-I238 HydrophobicContact CD2-CD1 3.88Å; L233-I238 HydrophobicContact CD2-CG2 4.24Å; L233-I238 PolarHBondContact O-N 3.45Å
234E91.3Very high90.2Very high55 Ų5572 Ų7226%0.25737%0.374SS..Hα-helixtrans-59.3-46.4172.3-74.3-110.3146.900111.5P110 V111 G112 T230 I232 L236 N237P110-E234 WeakPolarHBondContact CA-OE1 3.35Å; P110-E234 HydrophobicContact CB-CG 3.77Å; V111-E234 PolarHBondContact N-OE1 3.39Å; G112-E234 PolarHBondContact N-OE1 2.63Å; T230-E234 WeakPolarHBondContact O-CG 3.43Å; T230-E234 PolarHBondContact O-N 2.69Å; I232-E234 VanDerWaalsContact C-N 3.34Å; I232-E234 PolarHBondContact O-N 3.22Å; E234-L236 VanDerWaalsContact C-N 3.26Å; E234-L236 PolarHBondContact O-N 2.99Å; E234-N237 WeakPolarHBondContact O-CA 3.3Å; E234-N237 PolarHBondContact O-N 3.25Å
235A91.5Very high90.3Very high81 Ų8170.2 Ų70.267%0.66937%0.367SS*.Hα-helixtrans-62.5-32.4177.400000112.7P231 I232 N237P231-A235 WeakPolarHBondContact O-CB 3.36Å; P231-A235 PolarHBondContact O-N 2.87Å; I232-A235 PolarHBondContact O-N 2.97Å; A235-N237 PolarHBondContact O-N 2.81Å
236L92.2Very high90.3Very high107 Ų10770.5 Ų70.556%0.5637%0.368SS*.THydrogen-bonded Turntrans-82.25.4173.7-63.1174.7000113.4I232 L233 E234 I238 R243I232-L236 HydrophobicContact CG2-CD1 4.19Å; I232-L236 WeakPolarHBondContact O-CG 3.49Å; I232-L236 PolarHBondContact O-N 2.89Å; L233-L236 CarbonylContact O-C 3.5Å; L233-L236 PolarHBondContact O-N 2.78Å; E234-L236 VanDerWaalsContact C-N 3.26Å; E234-L236 PolarHBondContact O-N 2.99Å; L236-I238 HydrophobicContact CB-CD1 4.02Å; L236-I238 HydrophobicContact CB-CG1 4.01Å; L236-I238 HydrophobicContact CD1-CD1 4.29Å; L236-I238 PolarHBondContact O-N 2.93Å; L236-I238 VanDerWaalsContact O-N 3.17Å; L236-R243 PolarHBondContact O-NH2 3.37Å
237N89.3Confident90.3Very high118 Ų11871 Ų7163%0.63138%0.38SS*.THydrogen-bonded Turntrans57.421.5-174.7-69.6-60.5000114.1L233 E234 A235 R243L233-N237 PolarHBondContact O-N 3.25Å; E234-N237 WeakPolarHBondContact O-CA 3.3Å; E234-N237 PolarHBondContact O-N 3.25Å; A235-N237 PolarHBondContact O-N 2.81Å; N237-R243 VanDerWaalsContact O-CZ 3.25Å; N237-R243 PolarHBondContact O-NE 3.35Å; N237-R243 VanDerWaalsContact O-NE 3.12Å; N237-R243 PolarHBondContact O-NH2 2.81Å
238I90.4Very high90.5Very high59 Ų5970.4 Ų70.430%0.30337%0.37SS..  trans-84.6122.4177.6-59.4174.9000107.6P110 F219 L233 L236P110-I238 VanDerWaalsContact CB-O 3.3Å; P110-I238 WeakPolarHBondContact CB-O 3.32Å; F219-I238 HydrophobicContact CE2-CG2 3.97Å; F219-I238 HydrophobicContact CZ-CG2 3.63Å; L233-I238 HydrophobicContact CB-CB 4.3Å; L233-I238 HydrophobicContact CD2-CB 4.18Å; L233-I238 HydrophobicContact CD2-CD1 3.88Å; L233-I238 HydrophobicContact CD2-CG2 4.24Å; L233-I238 PolarHBondContact O-N 3.45Å; L236-I238 HydrophobicContact CB-CD1 4.02Å; L236-I238 HydrophobicContact CB-CG1 4.01Å; L236-I238 HydrophobicContact CD1-CD1 4.29Å; L236-I238 PolarHBondContact O-N 2.93Å; L236-I238 VanDerWaalsContact O-N 3.17Å
239T89.1Confident90.5Very high32 Ų3264.7 Ų64.720%0.19635%0.346CS..  trans-124.4159.7-176.966.10000111.5P110 F241P110-T239 CarbonylContact O-C 3.5Å; P110-T239 VanDerWaalsContact O-CA 3.24Å; P110-T239 WeakPolarHBondContact O-CA 3.46Å; T239-F241 PolarHBondContact O-N 2.95Å; T239-F241 PolarHBondContact OG1-O 3.09Å; T239-F241 VanDerWaalsContact OG1-O 3.11Å
240V88.3Confident90.6Very high28 Ų2863.8 Ų63.817%0.1734%0.342CS..SBendtrans-69.5-16.3173.1-61.20000112.9P110 V111 F219 I223P110-V240 HydrophobicContact CG-CG1 4.28Å; P110-V240 PolarHBondContact O-N 2.79Å; V111-V240 HydrophobicContact CG1-CG2 4.1Å; F219-V240 HydrophobicContact CE1-CG1 4.27Å; I223-V240 HydrophobicContact CD1-CG1 4.2Å
241F88.2Confident90.6Very high53 Ų5368.7 Ų68.723%0.23236%0.361CS..SBendtrans-88.6137.1178.5-62.2-68.9000110.8V111 M114 I120 L210 T239 R243 I246V111-F241 HydrophobicContact CB-CE2 3.95Å; V111-F241 HydrophobicContact CG1-CE2 3.78Å; M114-F241 HydrophobicContact CB-CD2 4.06Å; M114-F241 HydrophobicContact CB-CE2 3.62Å; M114-F241 HydrophobicContact CB-CZ 4.44Å; M114-F241 HydrophobicContact CG-CD2 3.88Å; M114-F241 HydrophobicContact CG-CE2 3.85Å; I120-F241 HydrophobicContact CD1-CE2 4.45Å; I120-F241 HydrophobicContact CD1-CZ 4.24Å; L210-F241 HydrophobicContact CD2-CD1 4.33Å; T239-F241 PolarHBondContact O-N 2.95Å; T239-F241 PolarHBondContact OG1-O 3.09Å; T239-F241 VanDerWaalsContact OG1-O 3.11Å; F241-R243 PolarHBondContact O-N 3.12Å; F241-I246 HydrophobicContact CB-CD1 3.88Å; F241-I246 HydrophobicContact CB-CG1 3.56Å; F241-I246 HydrophobicContact CG-CD1 4.2Å; F241-I246 HydrophobicContact CG-CG1 4.39Å
242P88.4Confident90.6Very high53 Ų5365 Ų6534%0.34434%0.337SS..  trans-59.2114176.9-22.332.2000111.4K244 V245 I246P242-K244 VanDerWaalsContact C-N 3.25Å; P242-K244 PolarHBondContact O-N 3.35Å; P242-K244 VanDerWaalsContact O-N 3.15Å; P242-V245 HydrophobicContact CB-CB 4.14Å; P242-V245 HydrophobicContact CB-CG2 3.85Å; P242-V245 HydrophobicContact CG-CG2 4.39Å; P242-V245 WeakPolarHBondContact O-CB 3.48Å; P242-V245 PolarHBondContact O-N 3.1Å; P242-I246 PolarHBondContact O-N 3.43Å; P242-I246 VanDerWaalsContact O-N 3.09Å
243R88.2Confident90.4Very high145 Ų14560.6 Ų60.655%0.54732%0.315SS..Hα-helixtrans-51.7-41.5-176.4-73.2-173.3177.4175.64.1113.2L236 N237 F241 V245 I246 S247L236-R243 PolarHBondContact O-NH2 3.37Å; N237-R243 VanDerWaalsContact O-CZ 3.25Å; N237-R243 PolarHBondContact O-NE 3.35Å; N237-R243 VanDerWaalsContact O-NE 3.12Å; N237-R243 PolarHBondContact O-NH2 2.81Å; F241-R243 PolarHBondContact O-N 3.12Å; R243-V245 VanDerWaalsContact C-N 3.32Å; R243-V245 PolarHBondContact O-N 3.3Å; R243-I246 PolarHBondContact O-N 2.92Å; R243-S247 VanDerWaalsContact O-CB 3.25Å; R243-S247 WeakPolarHBondContact O-CB 3.33Å; R243-S247 PolarHBondContact O-N 3.25Å
244K90Very high90.3Very high183 Ų18364.9 Ų64.980%0.79633%0.333SS*.Hα-helixtrans-59.7-40.7177.9-68.1-174.1179.1-177.90112.3P242 F248P242-K244 VanDerWaalsContact C-N 3.25Å; P242-K244 PolarHBondContact O-N 3.35Å; P242-K244 VanDerWaalsContact O-N 3.15Å; K244-F248 WeakPolarHBondContact O-CB 3.32Å; K244-F248 PolarHBondContact O-N 2.97Å
245V89.9Confident90.2Very high3 Ų367.4 Ų67.42%0.01834%0.344CS..Hα-helixtrans-70.6-48.4-179.6173.30000110.6N206 K209 L210 P242 R243 S247 F248 L249N206-V245 HydrophobicContact CB-CG1 4.12Å; N206-V245 HydrophobicContact CB-CG2 4.34Å; N206-V245 VanDerWaalsContact O-CG1 3.29Å; N206-V245 WeakPolarHBondContact O-CG1 3.47Å; K209-V245 HydrophobicContact CB-CG2 3.76Å; K209-V245 HydrophobicContact CD-CG2 4.14Å; L210-V245 HydrophobicContact CD1-CG1 4.29Å; L210-V245 HydrophobicContact CD2-CB 4.31Å; L210-V245 HydrophobicContact CD2-CG1 3.54Å; L210-V245 HydrophobicContact CG-CG1 3.76Å; P242-V245 HydrophobicContact CB-CB 4.14Å; P242-V245 HydrophobicContact CB-CG2 3.85Å; P242-V245 HydrophobicContact CG-CG2 4.39Å; P242-V245 WeakPolarHBondContact O-CB 3.48Å; P242-V245 PolarHBondContact O-N 3.1Å; R243-V245 VanDerWaalsContact C-N 3.32Å; R243-V245 PolarHBondContact O-N 3.3Å; V245-S247 VanDerWaalsContact C-N 3.32Å; V245-S247 PolarHBondContact O-N 3.2Å; V245-F248 PolarHBondContact O-N 3.07Å; V245-L249 HydrophobicContact CG1-CD1 4.06Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 3.35Å
246I90.6Very high90.1Very high15 Ų1565 Ų658%0.07732%0.32CS..Hα-helixtrans-62.1-42.2179-65-62.2000110.9F113 M114 L210 F241 P242 R243 L249 T250 I300F113-I246 HydrophobicContact CE1-CG2 3.37Å; F113-I246 HydrophobicContact CZ-CG2 3.59Å; M114-I246 HydrophobicContact CG-CD1 4.33Å; M114-I246 HydrophobicContact SD-CD1 4.38Å; L210-I246 HydrophobicContact CD2-CD1 4.45Å; F241-I246 HydrophobicContact CB-CD1 3.88Å; F241-I246 HydrophobicContact CB-CG1 3.56Å; F241-I246 HydrophobicContact CG-CD1 4.2Å; F241-I246 HydrophobicContact CG-CG1 4.39Å; P242-I246 PolarHBondContact O-N 3.43Å; P242-I246 VanDerWaalsContact O-N 3.09Å; R243-I246 PolarHBondContact O-N 2.92Å; I246-L249 PolarHBondContact O-N 3.32Å; I246-T250 VanDerWaalsContact O-CB 3.25Å; I246-T250 WeakPolarHBondContact O-CB 3.23Å; I246-T250 PolarHBondContact O-N 2.95Å; I246-T250 PolarHBondContact O-OG1 3.46Å; I246-I300 HydrophobicContact CD1-CD1 4.17Å; I246-I300 HydrophobicContact CD1-CG2 4.18Å; I246-I300 HydrophobicContact CG2-CD1 4.41Å
247S91.6Very high89.9Confident80 Ų8061.2 Ų61.256%0.55930%0.299SS*.Hα-helixtrans-62.5-44.1176.41800000112.1R243 V245 T250 K251R243-S247 VanDerWaalsContact O-CB 3.25Å; R243-S247 WeakPolarHBondContact O-CB 3.33Å; R243-S247 PolarHBondContact O-N 3.25Å; V245-S247 VanDerWaalsContact C-N 3.32Å; V245-S247 PolarHBondContact O-N 3.2Å; S247-T250 PolarHBondContact O-N 3.26Å; S247-K251 WeakPolarHBondContact O-CB 3.33Å; S247-K251 PolarHBondContact O-N 3.44Å
248F92.1Very high89.8Confident56 Ų5659.5 Ų59.525%0.24629%0.287CS..Hα-helixtrans-58.2-55.4175.3173.2-95.1000111.3P202 F203 N206 K244 V245 T250 K251 S252P202-F248 HydrophobicContact CB-CE1 4.34Å; P202-F248 HydrophobicContact CB-CE2 3.87Å; P202-F248 HydrophobicContact CB-CZ 3.55Å; F203-F248 HydrophobicContact CD1-CE1 4.47Å; F203-F248 AromaticContact CD2-CE1 3.96Å; F203-F248 HydrophobicContact CD2-CE1 3.96Å; F203-F248 AromaticContact CD2-CZ 3.91Å; F203-F248 HydrophobicContact CD2-CZ 3.91Å; F203-F248 HydrophobicContact CE2-CE1 4.17Å; F203-F248 AromaticContact CE2-CZ 3.98Å; F203-F248 HydrophobicContact CE2-CZ 3.98Å; F203-F248 HydrophobicContact CG-CE1 4.14Å; N206-F248 HydrophobicContact CB-CD1 3.96Å; N206-F248 HydrophobicContact CB-CE1 4.4Å; K244-F248 WeakPolarHBondContact O-CB 3.32Å; K244-F248 PolarHBondContact O-N 2.97Å; V245-F248 PolarHBondContact O-N 3.07Å; F248-T250 VanDerWaalsContact C-N 3.32Å; F248-T250 PolarHBondContact O-N 3.09Å; F248-K251 PolarHBondContact O-N 2.81Å; F248-K251 VanDerWaalsContact O-N 3.16Å; F248-S252 PolarHBondContact O-N 2.84Å; F248-S252 PolarHBondContact O-OG 3.39Å; F248-S252 VanDerWaalsContact O-OG 3.12Å
249L90.7Very high89.5Confident0 Ų058.1 Ų58.10%029%0.287CS..Hα-helixtrans-62.8-39.5-177.9-66.3174.6000112F203 L210 V245 I246 S252 V253 I300 I303F203-L249 HydrophobicContact CD1-CD2 4.09Å; F203-L249 HydrophobicContact CE1-CD2 4.32Å; L210-L249 HydrophobicContact CD1-CD1 4.19Å; V245-L249 HydrophobicContact CG1-CD1 4.06Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 3.35Å; I246-L249 PolarHBondContact O-N 3.32Å; L249-S252 PolarHBondContact O-N 3.04Å; L249-V253 WeakPolarHBondContact O-CB 3.2Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.33Å; L249-V253 PolarHBondContact O-N 3.26Å; L249-I300 HydrophobicContact CB-CD1 4.17Å; L249-I300 HydrophobicContact CB-CG1 3.84Å; L249-I300 HydrophobicContact CD1-CG1 4.16Å; L249-I300 HydrophobicContact CD1-CG2 4Å; L249-I303 HydrophobicContact CD2-CD1 4.43Å
250T91.3Very high89.2Confident35 Ų3557.8 Ų57.822%0.21528%0.282CS..Hα-helixtrans-62-44.7175.9-56.80000111I246 S247 F248 K254 M296I246-T250 VanDerWaalsContact O-CB 3.25Å; I246-T250 WeakPolarHBondContact O-CB 3.23Å; I246-T250 PolarHBondContact O-N 2.95Å; I246-T250 PolarHBondContact O-OG1 3.46Å; S247-T250 PolarHBondContact O-N 3.26Å; F248-T250 VanDerWaalsContact C-N 3.32Å; F248-T250 PolarHBondContact O-N 3.09Å; T250-K254 VanDerWaalsContact O-CB 3.24Å; T250-K254 WeakPolarHBondContact O-CB 3.48Å; T250-K254 PolarHBondContact O-N 2.9Å; T250-M296 HydrophobicContact CG2-CG 4.07Å; T250-M296 HydrophobicContact CG2-SD 4.21Å
251K92.3Very high88.9Confident132 Ų13261.4 Ų61.457%0.57430%0.3SS*.Hα-helixtrans-62.6-45.2176.8-175.9179.5178.2-177.80111.1S247 F248 K254 Q255S247-K251 WeakPolarHBondContact O-CB 3.33Å; S247-K251 PolarHBondContact O-N 3.44Å; F248-K251 PolarHBondContact O-N 2.81Å; F248-K251 VanDerWaalsContact O-N 3.16Å; K251-K254 PolarHBondContact O-N 3.07Å; K251-Q255 VanDerWaalsContact O-CG 3.32Å; K251-Q255 WeakPolarHBondContact O-CG 3.34Å; K251-Q255 PolarHBondContact O-N 3.3Å
252S90.6Very high88.6Confident12 Ų1267 Ų678%0.08432%0.324CS..Hα-helixtrans-61.6-51.4178.7-62.20000111.9F248 L249 K254 Q255 I256F248-S252 PolarHBondContact O-N 2.84Å; F248-S252 PolarHBondContact O-OG 3.39Å; F248-S252 VanDerWaalsContact O-OG 3.12Å; L249-S252 PolarHBondContact O-N 3.04Å; S252-K254 VanDerWaalsContact C-N 3.29Å; S252-K254 PolarHBondContact O-N 2.97Å; S252-Q255 PolarHBondContact O-N 3.46Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.33Å; S252-I256 PolarHBondContact O-N 3.22Å
253V89.6Confident88Confident0 Ų070.3 Ų70.30%034%0.335CS..Hα-helixtrans-63.2-38.4-179.9177.90000110.9L249 I256 K257 L295 M296 S299 I303L249-V253 WeakPolarHBondContact O-CB 3.2Å; L249-V253 VanDerWaalsContact O-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CG2 3.33Å; L249-V253 PolarHBondContact O-N 3.26Å; V253-I256 PolarHBondContact O-N 3.46Å; V253-K257 WeakPolarHBondContact O-CB 3.38Å; V253-K257 PolarHBondContact O-N 2.8Å; V253-L295 HydrophobicContact CG1-CD2 4.04Å; V253-M296 HydrophobicContact CB-CE 4.2Å; V253-M296 HydrophobicContact CB-SD 3.58Å; V253-M296 VanDerWaalsContact CB-SD 3.58Å; V253-M296 HydrophobicContact CG1-CE 3.54Å; V253-M296 HydrophobicContact CG1-SD 3.5Å; V253-M296 VanDerWaalsContact CG1-SD 3.5Å; V253-S299 WeakPolarHBondContact CG1-OG 3.32Å; V253-I303 HydrophobicContact CG2-CD1 4.48Å
254K91.3Very high86.6Confident116 Ų11670.6 Ų70.650%0.50435%0.353SS..Hα-helixtrans-60.1-46.8173.8-179172.8174.6173.70111.9T250 K251 S252 I256 K257 E258T250-K254 VanDerWaalsContact O-CB 3.24Å; T250-K254 WeakPolarHBondContact O-CB 3.48Å; T250-K254 PolarHBondContact O-N 2.9Å; K251-K254 PolarHBondContact O-N 3.07Å; S252-K254 VanDerWaalsContact C-N 3.29Å; S252-K254 PolarHBondContact O-N 2.97Å; K254-I256 VanDerWaalsContact C-N 3.32Å; K254-I256 PolarHBondContact O-N 2.85Å; K254-K257 PolarHBondContact O-N 3.12Å; K254-E258 WeakPolarHBondContact CE-OE1 3.08Å; K254-E258 HydrophobicContact CG-CG 4.45Å; K254-E258 IonicContact NZ-OE1 3.48Å; K254-E258 WeakPolarHBondContact O-CB 3.21Å; K254-E258 WeakPolarHBondContact O-CG 3.47Å; K254-E258 PolarHBondContact O-N 3.01Å
255Q89.6Confident85.1Confident107 Ų10769.5 Ų69.550%0.535%0.351SS..Hα-helixtrans-61.1-40.9177-74.5175.5-2700112.1K251 S252 E258 G259K251-Q255 VanDerWaalsContact O-CG 3.32Å; K251-Q255 WeakPolarHBondContact O-CG 3.34Å; K251-Q255 PolarHBondContact O-N 3.3Å; S252-Q255 PolarHBondContact O-N 3.46Å; Q255-E258 PolarHBondContact O-N 3.11Å; Q255-G259 PolarHBondContact O-N 2.61Å
256I87.6Confident83.5Confident32 Ų3279.7 Ų79.716%0.16440%0.395CS..Hα-helixtrans-65-45.4177.9-61.4166.2000110.7F189 V191 S252 V253 K254 G259 R260 L272F189-I256 HydrophobicContact CB-CD1 4.4Å; F189-I256 HydrophobicContact CB-CG2 4.23Å; V191-I256 HydrophobicContact CB-CD1 4.45Å; V191-I256 HydrophobicContact CG2-CB 4.36Å; V191-I256 HydrophobicContact CG2-CD1 3.75Å; V191-I256 HydrophobicContact CG2-CG1 3.79Å; V191-I256 HydrophobicContact CG2-CG2 3.6Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.33Å; S252-I256 PolarHBondContact O-N 3.22Å; V253-I256 PolarHBondContact O-N 3.46Å; K254-I256 VanDerWaalsContact C-N 3.32Å; K254-I256 PolarHBondContact O-N 2.85Å; I256-G259 PolarHBondContact O-N 2.82Å; I256-R260 WeakPolarHBondContact O-CB 3.17Å; I256-R260 PolarHBondContact O-N 2.91Å; I256-L272 HydrophobicContact CB-CD2 4.48Å; I256-L272 HydrophobicContact CG2-CD2 3.58Å
257K87.9Confident82.2Confident26 Ų2681.6 Ų81.611%0.11340%0.403CS..Hα-helixtrans-59.7-47.6175.6179.1-177.4165.1177.50111.4V253 K254 R260 L261 I276 D292 L295V253-K257 WeakPolarHBondContact O-CB 3.38Å; V253-K257 PolarHBondContact O-N 2.8Å; K254-K257 PolarHBondContact O-N 3.12Å; K257-R260 PolarHBondContact O-N 2.78Å; K257-L261 HydrophobicContact CG-CD1 4.2Å; K257-L261 WeakPolarHBondContact O-CG 3.33Å; K257-L261 PolarHBondContact O-N 2.83Å; K257-I276 HydrophobicContact CG-CD1 4.25Å; K257-I276 HydrophobicContact CG-CG1 4.43Å; K257-D292 IonicContact NZ-OD1 3.91Å; K257-D292 PolarHBondContact NZ-OD1 3.41Å; K257-D292 IonicContact NZ-OD2 2.63Å; K257-L295 HydrophobicContact CD-CD1 4.42Å
258E87.9Confident81.1Confident83 Ų8381.9 Ų81.939%0.38839%0.392SS..Hα-helixtrans-63.9-39.7179.7-75.3174.8-177.200112.7K254 Q255 R260 L261 K262K254-E258 WeakPolarHBondContact CE-OE1 3.08Å; K254-E258 HydrophobicContact CG-CG 4.45Å; K254-E258 IonicContact NZ-OE1 3.48Å; K254-E258 WeakPolarHBondContact O-CB 3.21Å; K254-E258 WeakPolarHBondContact O-CG 3.47Å; K254-E258 PolarHBondContact O-N 3.01Å; Q255-E258 PolarHBondContact O-N 3.11Å; E258-R260 VanDerWaalsContact C-N 3.33Å; E258-L261 PolarHBondContact O-N 2.94Å; E258-K262 WeakPolarHBondContact O-CG 3.23Å; E258-K262 PolarHBondContact O-N 3.14Å
259G85.1Confident79.9Confident29 Ų2981.5 Ų81.530%0.29939%0.394SS..Hα-helixtrans-59.3-47173.700000111.1Q255 I256 L261 K262 E263Q255-G259 PolarHBondContact O-N 2.61Å; I256-G259 PolarHBondContact O-N 2.82Å; G259-L261 PolarHBondContact O-N 2.9Å; G259-K262 PolarHBondContact O-N 3.02Å; G259-K262 VanDerWaalsContact O-N 3.13Å; G259-E263 PolarHBondContact O-N 2.97Å
260R82.1Confident79.3Confident26 Ų2681.7 Ų81.710%0.09840%0.395CS..Hα-helixtrans-63.9-37.7179.5-170.2170.4-71.7-163.2-4.2114F189 I256 K257 E258 K262 E263 D270 I276F189-R260 VanDerWaalsContact C-NH2 3.29Å; F189-R260 PolarHBondContact O-NH2 3.31Å; I256-R260 WeakPolarHBondContact O-CB 3.17Å; I256-R260 PolarHBondContact O-N 2.91Å; K257-R260 PolarHBondContact O-N 2.78Å; E258-R260 VanDerWaalsContact C-N 3.33Å; R260-K262 PolarHBondContact O-N 3.5Å; R260-E263 PolarHBondContact O-N 2.95Å; R260-D270 IonicContact CZ-OD1 2.67Å; R260-D270 IonicContact CZ-OD2 3.86Å; R260-D270 VanDerWaalsContact NH1-CG 3.26Å; R260-D270 IonicContact NH1-OD1 3.62Å; R260-D270 PolarHBondContact NH1-OD1 3.02Å; R260-D270 IonicContact NH1-OD2 3.41Å; R260-D270 PolarHBondContact NH1-OD2 2.96Å; R260-D270 VanDerWaalsContact NH1-OD2 3.14Å; R260-D270 IonicContact NH2-OD1 2.71Å; R260-D270 IonicContact NH2-OD2 3.68Å; R260-D270 PolarHBondContact NH2-OD2 3.23Å; R260-I276 HydrophobicContact CG-CD1 4.47Å
261L81.1Confident78.8Confident103 Ų10380 Ų8054%0.53939%0.385SS..Hα-helixtrans-69.3-18.9177.3-70.4173.9000113.3K257 E258 G259 I276K257-L261 HydrophobicContact CG-CD1 4.2Å; K257-L261 WeakPolarHBondContact O-CG 3.33Å; K257-L261 PolarHBondContact O-N 2.83Å; E258-L261 PolarHBondContact O-N 2.94Å; G259-L261 PolarHBondContact O-N 2.9Å; L261-I276 HydrophobicContact CD2-CG2 4.25Å
262K81.9Confident78.5Confident171 Ų17173.8 Ų73.874%0.74336%0.358SS*.Hα-helixtrans-89.3-20.6177.6-69.7174.1-176.5179.20113E258 G259 R260E258-K262 WeakPolarHBondContact O-CG 3.23Å; E258-K262 PolarHBondContact O-N 3.14Å; G259-K262 PolarHBondContact O-N 3.02Å; G259-K262 VanDerWaalsContact O-N 3.13Å; R260-K262 PolarHBondContact O-N 3.5Å
263E76.5Confident78.2Confident123 Ų12374.7 Ų74.758%0.57536%0.361SS*.  trans-79.4131-179.6-74.9176.3-154.200110.6G259 R260 H267G259-E263 PolarHBondContact O-N 2.97Å; R260-E263 PolarHBondContact O-N 2.95Å; E263-H267 VanDerWaalsContact CB-CE1 3.49Å; E263-H267 WeakPolarHBondContact CB-CE1 3.21Å; E263-H267 VanDerWaalsContact CB-NE2 3.27Å; E263-H267 WeakPolarHBondContact CB-NE2 3.27Å; E263-H267 IonicContact OE2-CE1 2.55Å; E263-H267 PolarHBondContact OE2-CE1 3.42Å; E263-H267 IonicContact OE2-ND1 3.39Å; E263-H267 IonicContact OE2-NE2 3.46Å
264T58.8Low77.7Confident150 Ų15076.7 Ų76.792%0.9237%0.371SS*.  trans-86.7-7.7-176.64.70000113.7
265Q59.7Low77.4Confident161 Ų16171.2 Ų71.275%0.75235%0.347SS*.SBendtrans-85.1144.7-177.8-67.2-155.9-8.300111.9H267Q265-H267 PolarHBondContact O-CD2 2.85Å; Q265-H267 PolarHBondContact O-CE1 2.91Å; Q265-H267 PolarHBondContact O-N 2.98Å; Q265-H267 PolarHBondContact O-NE2 3.01Å
266K56.3Low77.1Confident217 Ų21766.4 Ų66.494%0.94333%0.325SS*.  trans-63.6107171-84.3-175.4175.4178.70109.3
267H63Low76.8Confident55 Ų5568.3 Ų68.326%0.25534%0.336SS..  trans-73.4155.8176.2-61.1-51.9000112E263 Q265 V269E263-H267 VanDerWaalsContact CB-CE1 3.49Å; E263-H267 WeakPolarHBondContact CB-CE1 3.21Å; E263-H267 VanDerWaalsContact CB-NE2 3.27Å; E263-H267 WeakPolarHBondContact CB-NE2 3.27Å; E263-H267 IonicContact OE2-CE1 2.55Å; E263-H267 PolarHBondContact OE2-CE1 3.42Å; E263-H267 IonicContact OE2-ND1 3.39Å; E263-H267 IonicContact OE2-NE2 3.46Å; Q265-H267 PolarHBondContact O-CD2 2.85Å; Q265-H267 PolarHBondContact O-CE1 2.91Å; Q265-H267 PolarHBondContact O-N 2.98Å; Q265-H267 PolarHBondContact O-NE2 3.01Å; H267-V269 PolarHBondContact O-N 2.69Å
268R67.8Low76.3Confident85 Ų8567.7 Ų67.732%0.32134%0.335SS..  trans-53.8136165.9177.1-174.4161.8116.915.2109.6E144 M145 I148 D270E144-R268 PolarHBondContact O-NH1 3.13Å; E144-R268 PolarHBondContact O-NH2 3.19Å; M145-R268 VanDerWaalsContact CG-NH2 3.28Å; M145-R268 VanDerWaalsContact N-NH2 3.19Å; I148-R268 VanDerWaalsContact CG1-NH1 3.32Å; R268-D270 PolarHBondContact O-N 3.44Å
269V67.1Low75.9Confident48 Ų4865.6 Ų65.629%0.29133%0.325SS..  trans-73.796.2174.5-177.50000108.9H267 L274H267-V269 PolarHBondContact O-N 2.69Å; V269-L274 HydrophobicContact CG1-CD2 3.74Å; V269-L274 HydrophobicContact CG1-CG 3.97Å
270D78.9Confident75.4Confident4 Ų469.2 Ų69.22%0.02134%0.338CS..  trans-109.7-176.117263.229.9000111.3T187 G190 R260 R268 L272 Q273 L274T187-D270 WeakPolarHBondContact O-CB 3.18Å; G190-D270 PolarHBondContact N-OD2 2.66Å; R260-D270 IonicContact CZ-OD1 2.67Å; R260-D270 IonicContact CZ-OD2 3.86Å; R260-D270 VanDerWaalsContact NH1-CG 3.26Å; R260-D270 IonicContact NH1-OD1 3.62Å; R260-D270 PolarHBondContact NH1-OD1 3.02Å; R260-D270 IonicContact NH1-OD2 3.41Å; R260-D270 PolarHBondContact NH1-OD2 2.96Å; R260-D270 VanDerWaalsContact NH1-OD2 3.14Å; R260-D270 IonicContact NH2-OD1 2.71Å; R260-D270 IonicContact NH2-OD2 3.68Å; R260-D270 PolarHBondContact NH2-OD2 3.23Å; R268-D270 PolarHBondContact O-N 3.44Å; D270-L272 VanDerWaalsContact C-N 3.34Å; D270-L272 PolarHBondContact O-N 2.95Å; D270-L272 PolarHBondContact OD1-N 3.07Å; D270-L272 VanDerWaalsContact OD1-N 3.14Å; D270-Q273 PolarHBondContact O-N 3.39Å; D270-Q273 PolarHBondContact OD1-N 3.31Å; D270-L274 WeakPolarHBondContact O-CG 3.27Å; D270-L274 PolarHBondContact O-N 3.04Å
271F80.6Confident74.6Confident1 Ų170.7 Ų70.70%0.00435%0.352CS..Hα-helixtrans-59.1-43.3-178-180-115.1000112.9L133 T136 S188 Q273 L274 M275 Q298 F302L133-F271 HydrophobicContact CB-CE2 4.42Å; L133-F271 HydrophobicContact CD1-CE2 4.17Å; L133-F271 HydrophobicContact CD1-CZ 4.15Å; L133-F271 HydrophobicContact CD2-CE2 3.75Å; L133-F271 HydrophobicContact CD2-CZ 4.1Å; L133-F271 HydrophobicContact CG-CE2 4.31Å; T136-F271 HydrophobicContact CG2-CB 3.91Å; T136-F271 HydrophobicContact CG2-CD2 3.52Å; T136-F271 HydrophobicContact CG2-CE2 4.46Å; T136-F271 HydrophobicContact CG2-CG 4.17Å; T136-F271 WeakPolarHBondContact OG1-CD2 3.34Å; S188-F271 WeakPolarHBondContact O-CB 3.46Å; S188-F271 PolarHBondContact O-N 3.37Å; F271-Q273 VanDerWaalsContact C-N 3.35Å; F271-L274 PolarHBondContact O-N 3.2Å; F271-M275 HydrophobicContact CD1-CE 3.44Å; F271-M275 VanDerWaalsContact CD1-CE 3.44Å; F271-M275 HydrophobicContact CD1-SD 4.18Å; F271-M275 HydrophobicContact CE1-CE 3.29Å; F271-M275 HydrophobicContact CE1-SD 3.53Å; F271-M275 VanDerWaalsContact CE1-SD 3.53Å; F271-M275 HydrophobicContact CE2-CG 4.48Å; F271-M275 HydrophobicContact CE2-SD 4.31Å; F271-M275 HydrophobicContact CG-CE 4.24Å; F271-M275 HydrophobicContact CZ-CE 4.01Å; F271-M275 HydrophobicContact CZ-CG 4.34Å; F271-M275 HydrophobicContact CZ-SD 3.62Å; F271-M275 WeakPolarHBondContact O-CG 3.34Å; F271-M275 PolarHBondContact O-N 3.14Å; F271-M275 VanDerWaalsContact O-N 3.11Å; F271-Q298 HydrophobicContact CE1-CB 4.34Å; F271-Q298 HydrophobicContact CZ-CB 4.01Å; F271-F302 AromaticContact CD1-CD1 3.95Å; F271-F302 HydrophobicContact CD1-CD1 3.95Å; F271-F302 HydrophobicContact CD1-CE1 4.32Å; F271-F302 HydrophobicContact CD1-CG 4.31Å; F271-F302 HydrophobicContact CD2-CD1 4.06Å; F271-F302 AromaticContact CD2-CE1 3.61Å; F271-F302 HydrophobicContact CD2-CE1 3.61Å; F271-F302 HydrophobicContact CD2-CZ 4.19Å; F271-F302 HydrophobicContact CE1-CB 4.1Å; F271-F302 AromaticContact CE1-CD1 3.64Å; F271-F302 HydrophobicContact CE1-CD1 3.64Å; F271-F302 AromaticContact CE1-CD2 3.96Å; F271-F302 HydrophobicContact CE1-CD2 3.96Å; F271-F302 AromaticContact CE1-CE1 3.93Å; F271-F302 HydrophobicContact CE1-CE1 3.93Å; F271-F302 HydrophobicContact CE1-CE2 4.29Å; F271-F302 AromaticContact CE1-CG 3.64Å; F271-F302 HydrophobicContact CE1-CG 3.64Å; F271-F302 HydrophobicContact CE1-CZ 4.28Å; F271-F302 AromaticContact CE2-CD1 3.72Å; F271-F302 HydrophobicContact CE2-CD1 3.72Å; F271-F302 HydrophobicContact CE2-CD2 4.36Å; F271-F302 AromaticContact CE2-CE1 3.11Å; F271-F302 HydrophobicContact CE2-CE1 3.11Å; F271-F302 AromaticContact CE2-CE2 3.91Å; F271-F302 HydrophobicContact CE2-CE2 3.91Å; F271-F302 HydrophobicContact CE2-CG 4.31Å; F271-F302 AromaticContact CE2-CZ 3.26Å; F271-F302 HydrophobicContact CE2-CZ 3.26Å; F271-F302 HydrophobicContact CG-CD1 4.14Å; F271-F302 HydrophobicContact CG-CE1 4.16Å; F271-F302 AromaticContact CZ-CD1 3.5Å; F271-F302 HydrophobicContact CZ-CD1 3.5Å; F271-F302 AromaticContact CZ-CD2 3.58Å; F271-F302 HydrophobicContact CZ-CD2 3.58Å; F271-F302 AromaticContact CZ-CE1 3.3Å; F271-F302 HydrophobicContact CZ-CE1 3.3Å; F271-F302 AromaticContact CZ-CE2 3.45Å; F271-F302 HydrophobicContact CZ-CE2 3.45Å; F271-F302 VanDerWaalsContact CZ-CE2 3.45Å; F271-F302 AromaticContact CZ-CG 3.63Å; F271-F302 HydrophobicContact CZ-CG 3.63Å; F271-F302 AromaticContact CZ-CZ 3.32Å; F271-F302 HydrophobicContact CZ-CZ 3.32Å
272L85.9Confident73.3Confident0 Ų075.1 Ų75.10%037%0.367CS..Hα-helixtrans-64.4-40.6177.3177.461.5000111.3S188 F189 I256 D270 M275 I276 L295S188-L272 WeakPolarHBondContact O-CB 3.49Å; S188-L272 PolarHBondContact O-N 3Å; F189-L272 HydrophobicContact CD1-CB 4.02Å; F189-L272 HydrophobicContact CD1-CD2 4.26Å; I256-L272 HydrophobicContact CB-CD2 4.48Å; I256-L272 HydrophobicContact CG2-CD2 3.58Å; D270-L272 VanDerWaalsContact C-N 3.34Å; D270-L272 PolarHBondContact O-N 2.95Å; D270-L272 PolarHBondContact OD1-N 3.07Å; D270-L272 VanDerWaalsContact OD1-N 3.14Å; L272-M275 HydrophobicContact CD1-CE 4.15Å; L272-M275 PolarHBondContact O-N 3.41Å; L272-I276 HydrophobicContact CD1-CD1 4.07Å; L272-I276 HydrophobicContact CD1-CG1 4.24Å; L272-I276 HydrophobicContact CD2-CD1 4.48Å; L272-I276 HydrophobicContact CG-CD1 3.85Å; L272-I276 HydrophobicContact CG-CG1 4.44Å; L272-I276 VanDerWaalsContact O-CG1 3.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.35Å; L272-I276 PolarHBondContact O-N 2.86Å; L272-L295 HydrophobicContact CD1-CD1 4.42Å; L272-L295 HydrophobicContact CD1-CD2 3.85Å
273Q84.1Confident71.6Confident32 Ų3274.2 Ų74.215%0.1537%0.37CS..Hα-helixtrans-61.8-45.4177.3-169.259.347.600111.3D270 F271 M275 I276 D277D270-Q273 PolarHBondContact O-N 3.39Å; D270-Q273 PolarHBondContact OD1-N 3.31Å; F271-Q273 VanDerWaalsContact C-N 3.35Å; Q273-M275 VanDerWaalsContact C-N 3.29Å; Q273-M275 PolarHBondContact O-N 3.15Å; Q273-I276 PolarHBondContact O-N 3.22Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; Q273-D277 PolarHBondContact NE2-OD1 3.46Å; Q273-D277 WeakPolarHBondContact O-CB 3.2Å; Q273-D277 PolarHBondContact O-N 2.96Å
274L78.6Confident70.1Confident41 Ų4171 Ų7122%0.21536%0.361CS..Hα-helixtrans-60.4-39.3176.8-69.4173.8000112.4T136 V269 D270 F271 S278T136-L274 HydrophobicContact CG2-CD1 4.27Å; T136-L274 WeakPolarHBondContact OG1-CD1 3.14Å; V269-L274 HydrophobicContact CG1-CD2 3.74Å; V269-L274 HydrophobicContact CG1-CG 3.97Å; D270-L274 WeakPolarHBondContact O-CG 3.27Å; D270-L274 PolarHBondContact O-N 3.04Å; F271-L274 PolarHBondContact O-N 3.2Å; L274-S278 WeakPolarHBondContact O-CB 3.31Å; L274-S278 PolarHBondContact O-N 3.01Å; L274-S278 VanDerWaalsContact O-N 3.08Å
275M84.1Confident69.5Low1 Ų174 Ų741%0.00537%0.365CS..Hα-helixtrans-66.6-41.6175-68.2-172.9-65.300111.8L133 F271 L272 Q273 S278 Q279 L290 L295 Q298L133-M275 HydrophobicContact CD2-CG 3.95Å; L133-M275 HydrophobicContact CD2-SD 4.42Å; F271-M275 HydrophobicContact CD1-CE 3.44Å; F271-M275 VanDerWaalsContact CD1-CE 3.44Å; F271-M275 HydrophobicContact CD1-SD 4.18Å; F271-M275 HydrophobicContact CE1-CE 3.29Å; F271-M275 HydrophobicContact CE1-SD 3.53Å; F271-M275 VanDerWaalsContact CE1-SD 3.53Å; F271-M275 HydrophobicContact CE2-CG 4.48Å; F271-M275 HydrophobicContact CE2-SD 4.31Å; F271-M275 HydrophobicContact CG-CE 4.24Å; F271-M275 HydrophobicContact CZ-CE 4.01Å; F271-M275 HydrophobicContact CZ-CG 4.34Å; F271-M275 HydrophobicContact CZ-SD 3.62Å; F271-M275 WeakPolarHBondContact O-CG 3.34Å; F271-M275 PolarHBondContact O-N 3.14Å; F271-M275 VanDerWaalsContact O-N 3.11Å; L272-M275 HydrophobicContact CD1-CE 4.15Å; L272-M275 PolarHBondContact O-N 3.41Å; Q273-M275 VanDerWaalsContact C-N 3.29Å; Q273-M275 PolarHBondContact O-N 3.15Å; M275-S278 WeakPolarHBondContact O-CB 3.26Å; M275-S278 PolarHBondContact O-N 3.11Å; M275-Q279 VanDerWaalsContact O-CG 3.3Å; M275-Q279 WeakPolarHBondContact O-CG 3.3Å; M275-Q279 PolarHBondContact O-N 3.42Å; M275-L290 HydrophobicContact CB-CD1 4.04Å; M275-L290 HydrophobicContact CG-CD1 3.94Å; M275-L295 HydrophobicContact CB-CD1 3.66Å; M275-L295 HydrophobicContact CB-CG 3.85Å; M275-L295 HydrophobicContact CE-CD2 4.16Å; M275-L295 HydrophobicContact CE-CG 4.04Å; M275-L295 HydrophobicContact SD-CG 3.97Å; M275-Q298 HydrophobicContact SD-CB 3.65Å; M275-Q298 HydrophobicContact SD-CG 4.18Å
276I84.4Confident69.1Low6 Ų671.6 Ų71.63%0.03136%0.361CS..Hα-helixtrans-63.4-45.7176.4-70167.4000111K257 R260 L261 L272 Q273 S278 Q279 N280 L295K257-I276 HydrophobicContact CG-CD1 4.25Å; K257-I276 HydrophobicContact CG-CG1 4.43Å; R260-I276 HydrophobicContact CG-CD1 4.47Å; L261-I276 HydrophobicContact CD2-CG2 4.25Å; L272-I276 HydrophobicContact CD1-CD1 4.07Å; L272-I276 HydrophobicContact CD1-CG1 4.24Å; L272-I276 HydrophobicContact CD2-CD1 4.48Å; L272-I276 HydrophobicContact CG-CD1 3.85Å; L272-I276 HydrophobicContact CG-CG1 4.44Å; L272-I276 VanDerWaalsContact O-CG1 3.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.35Å; L272-I276 PolarHBondContact O-N 2.86Å; Q273-I276 PolarHBondContact O-N 3.22Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; I276-S278 VanDerWaalsContact C-N 3.26Å; I276-S278 PolarHBondContact O-N 3.38Å; I276-Q279 WeakPolarHBondContact O-CA 3.43Å; I276-Q279 WeakPolarHBondContact O-CB 3.33Å; I276-Q279 PolarHBondContact O-N 2.89Å; I276-N280 PolarHBondContact O-N 2.68Å; I276-N280 PolarHBondContact O-ND2 3.46Å; I276-L295 HydrophobicContact CG1-CD1 4.34Å
277D81.7Confident69.2Low72 Ų7265 Ų6539%0.38533%0.334SS..Hα-helixtrans-60.5-39.1178.7-65.9-17.7000110.9Q273 Q279 N280 S281Q273-D277 PolarHBondContact NE2-OD1 3.46Å; Q273-D277 WeakPolarHBondContact O-CB 3.2Å; Q273-D277 PolarHBondContact O-N 2.96Å; D277-Q279 VanDerWaalsContact C-N 3.26Å; D277-Q279 PolarHBondContact O-N 3.18Å; D277-N280 PolarHBondContact O-N 3.19Å; D277-N280 VanDerWaalsContact O-N 3.1Å; D277-S281 PolarHBondContact O-N 3.45Å
278S76.9Confident69.4Low13 Ų1370 Ų709%0.09136%0.355CS..Hα-helixtrans-64.1-26.6172.3176.70000113.5L274 M275 I276 N280 S281 A289L274-S278 WeakPolarHBondContact O-CB 3.31Å; L274-S278 PolarHBondContact O-N 3.01Å; L274-S278 VanDerWaalsContact O-N 3.08Å; M275-S278 WeakPolarHBondContact O-CB 3.26Å; M275-S278 PolarHBondContact O-N 3.11Å; I276-S278 VanDerWaalsContact C-N 3.26Å; I276-S278 PolarHBondContact O-N 3.38Å; S278-N280 VanDerWaalsContact C-N 3.33Å; S278-S281 PolarHBondContact O-OG 3.28Å; S278-A289 WeakPolarHBondContact O-CA 3.06Å; S278-A289 WeakPolarHBondContact O-CB 3.39Å
279Q79.7Confident70Confident39 Ų3968 Ų6818%0.18236%0.356CS..Hα-helixtrans-74.3-29.6173.1-52.3-162.9-84.500112M275 I276 D277 L290 D292 L295M275-Q279 VanDerWaalsContact O-CG 3.3Å; M275-Q279 WeakPolarHBondContact O-CG 3.3Å; M275-Q279 PolarHBondContact O-N 3.42Å; I276-Q279 WeakPolarHBondContact O-CA 3.43Å; I276-Q279 WeakPolarHBondContact O-CB 3.33Å; I276-Q279 PolarHBondContact O-N 2.89Å; D277-Q279 VanDerWaalsContact C-N 3.26Å; D277-Q279 PolarHBondContact O-N 3.18Å; Q279-L290 HydrophobicContact CG-CB 4.28Å; Q279-L290 VanDerWaalsContact CG-O 3.29Å; Q279-L290 WeakPolarHBondContact CG-O 3.38Å; Q279-L290 PolarHBondContact NE2-O 2.93Å; Q279-D292 PolarHBondContact NE2-OD1 2.78Å; Q279-L295 HydrophobicContact CG-CD1 4.38Å
280N73.6Confident70.9Confident106 Ų10666 Ų6657%0.56734%0.344SS*.Hα-helixtrans-90.7-14.3-174.5-67.4-27.2000113.8I276 D277 S278 K282I276-N280 PolarHBondContact O-N 2.68Å; I276-N280 PolarHBondContact O-ND2 3.46Å; D277-N280 PolarHBondContact O-N 3.19Å; D277-N280 VanDerWaalsContact O-N 3.1Å; S278-N280 VanDerWaalsContact C-N 3.33Å; N280-K282 PolarHBondContact O-N 3.24Å
281S66.9Low71.5Confident57 Ų5768 Ų6840%0.39936%0.358SS..  trans-66.1102.4176.256.30000110.5D277 S278D277-S281 PolarHBondContact O-N 3.45Å; S278-S281 PolarHBondContact O-OG 3.28Å
282K52.3Low71.9Confident196 Ų19672.3 Ų72.385%0.85238%0.381SS*.  trans-78.1-12.6179.2-79-171.7175.9-178.30114.6N280N280-K282 PolarHBondContact O-N 3.24Å
283D46.9Very low72.2Confident151 Ų15176.8 Ų76.881%0.80741%0.405SS*.  trans-134.499.6-170-73.5-47.4000112.6
284S45.2Very low72.6Confident57 Ų5776.4 Ų76.440%0.39940%0.403SS..  trans-173.3131.6132.263.30000109.1T286 H287S284-T286 PolarHBondContact O-N 2.89Å; S284-H287 PolarHBondContact O-N 2.9Å; S284-H287 WeakPolarHBondContact OG-CB 3.45Å; S284-H287 PolarHBondContact OG-N 2.97Å
285E46.4Very low73.3Confident211 Ų21174.5 Ų74.599%0.98639%0.393SS*.THydrogen-bonded Turntrans-58.1-14.5175.3-66.1-174.7149.700113
286T51.5Low73.7Confident111 Ų11175 Ų7568%0.68140%0.395SS*.THydrogen-bonded Turntrans-98.1-18.7-177.348.60000115.1S284S284-T286 PolarHBondContact O-N 2.89Å
287H56.8Low74.2Confident80 Ų8074.7 Ų74.737%0.3739%0.394SS..  trans-132.885.8-178.5-61.6-61.7000112.3L132 S284 A289L132-H287 HydrophobicContact CD2-CB 4.48Å; S284-H287 PolarHBondContact O-N 2.9Å; S284-H287 WeakPolarHBondContact OG-CB 3.45Å; S284-H287 PolarHBondContact OG-N 2.97Å; H287-A289 PolarHBondContact O-N 3.2Å
288K68.8Low74.8Confident160 Ų16071.2 Ų71.270%0.69638%0.375SS*.PPolyproline II helixtrans-58.2135.5169.9-68.6-176.8179.2179.50110.6R128R128-K288 PolarHBondContact NH1-O 2.81Å
289A80.3Confident75.6Confident42 Ų4270.6 Ų70.635%0.34737%0.371SS..PPolyproline II helixtrans-56.6154176.400000113.4R128 S278 H287R128-A289 PolarHBondContact NH1-O 2.87Å; R128-A289 VanDerWaalsContact NH1-O 3.12Å; S278-A289 WeakPolarHBondContact O-CA 3.06Å; S278-A289 WeakPolarHBondContact O-CB 3.39Å; H287-A289 PolarHBondContact O-N 3.2Å
290L86.3Confident76.3Confident6 Ų669 Ų693%0.03136%0.363CS..PPolyproline II helixtrans-73.7133.8172.5-69.6173.5000111.1I129 L132 L133 M275 Q279 E294I129-L290 HydrophobicContact CG1-CD2 4.35Å; L132-L290 HydrophobicContact CD1-CD2 3.92Å; L132-L290 HydrophobicContact CD1-CG 4.03Å; L133-L290 HydrophobicContact CD2-CD1 4.43Å; M275-L290 HydrophobicContact CB-CD1 4.04Å; M275-L290 HydrophobicContact CG-CD1 3.94Å; Q279-L290 HydrophobicContact CG-CB 4.28Å; Q279-L290 VanDerWaalsContact CG-O 3.29Å; Q279-L290 WeakPolarHBondContact CG-O 3.38Å; Q279-L290 PolarHBondContact NE2-O 2.93Å; L290-E294 VanDerWaalsContact CA-OE2 3.31Å; L290-E294 WeakPolarHBondContact CA-OE2 3.2Å; L290-E294 HydrophobicContact CB-CB 4.47Å; L290-E294 HydrophobicContact CD2-CB 4.06Å
291S90.8Very high77.2Confident45 Ų4565.4 Ų65.432%0.31534%0.344SS..PPolyproline II helixtrans-72.7160.3167.870.30000111.4L293 E294 L295S291-L293 VanDerWaalsContact C-N 3.25Å; S291-L293 PolarHBondContact O-N 2.84Å; S291-E294 PolarHBondContact N-OE2 3.02Å; S291-E294 WeakPolarHBondContact O-CB 3.31Å; S291-E294 PolarHBondContact O-N 3.31Å; S291-E294 VanDerWaalsContact O-N 3.14Å; S291-E294 WeakPolarHBondContact OG-CB 3.43Å; S291-E294 VanDerWaalsContact OG-CG 3.3Å; S291-E294 WeakPolarHBondContact OG-CG 3.39Å; S291-E294 PolarHBondContact OG-N 2.89Å; S291-E294 PolarHBondContact OG-OE1 2.84Å; S291-L295 PolarHBondContact O-N 2.85Å
292D89.5Confident78.5Confident92 Ų9263.4 Ų63.449%0.49233%0.328SS..Hα-helixtrans-58.4-40.2175.6-80.8-9.8000111.9K257 Q279 L295 M296K257-D292 IonicContact NZ-OD1 3.91Å; K257-D292 PolarHBondContact NZ-OD1 3.41Å; K257-D292 IonicContact NZ-OD2 2.63Å; Q279-D292 PolarHBondContact NE2-OD1 2.78Å; D292-L295 PolarHBondContact O-N 2.82Å; D292-M296 VanDerWaalsContact O-CG 3.27Å; D292-M296 WeakPolarHBondContact O-CG 3.43Å; D292-M296 PolarHBondContact O-N 3.19Å
293L91Very high80.5Confident95 Ų9554.1 Ų54.150%0.49729%0.288SS..Hα-helixtrans-66-38.1176.7-68.1177.8000112.1F113 S291 M296 A297F113-L293 HydrophobicContact CB-CD1 4.44Å; F113-L293 HydrophobicContact CB-CD2 4.33Å; F113-L293 HydrophobicContact CD2-CD2 4.39Å; F113-L293 HydrophobicContact CG-CD2 4.3Å; S291-L293 VanDerWaalsContact C-N 3.25Å; S291-L293 PolarHBondContact O-N 2.84Å; L293-M296 PolarHBondContact O-N 3.44Å; L293-A297 WeakPolarHBondContact O-CB 3.26Å; L293-A297 PolarHBondContact O-N 3.43Å
294E93.1Very high82.7Confident24 Ų2449 Ų4911%0.11226%0.259CS..Hα-helixtrans-63-45.1172.8-78.4148.2-135.700111.6N116 R128 L290 S291 M296 A297 Q298N116-E294 HydrophobicContact CB-CB 4.49Å; N116-E294 HydrophobicContact CB-CG 3.7Å; R128-E294 IonicContact CZ-OE2 3.23Å; R128-E294 IonicContact NH1-OE2 3.85Å; R128-E294 IonicContact NH2-OE1 3.78Å; R128-E294 IonicContact NH2-OE2 2.76Å; R128-E294 PolarHBondContact NH2-OE2 2.91Å; L290-E294 VanDerWaalsContact CA-OE2 3.31Å; L290-E294 WeakPolarHBondContact CA-OE2 3.2Å; L290-E294 HydrophobicContact CB-CB 4.47Å; L290-E294 HydrophobicContact CD2-CB 4.06Å; S291-E294 PolarHBondContact N-OE2 3.02Å; S291-E294 WeakPolarHBondContact O-CB 3.31Å; S291-E294 PolarHBondContact O-N 3.31Å; S291-E294 VanDerWaalsContact O-N 3.14Å; S291-E294 WeakPolarHBondContact OG-CB 3.43Å; S291-E294 VanDerWaalsContact OG-CG 3.3Å; S291-E294 WeakPolarHBondContact OG-CG 3.39Å; S291-E294 PolarHBondContact OG-N 2.89Å; S291-E294 PolarHBondContact OG-OE1 2.84Å; E294-M296 VanDerWaalsContact C-N 3.33Å; E294-M296 PolarHBondContact O-N 3.07Å; E294-A297 PolarHBondContact O-N 3.28Å; E294-Q298 WeakPolarHBondContact O-CG 3.42Å; E294-Q298 PolarHBondContact O-N 3.23Å; E294-Q298 PolarHBondContact O-NE2 3.42Å; E294-Q298 VanDerWaalsContact O-NE2 3.13Å
295L92.8Very high85Confident0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-58.7-45.8176.9-170155.2000110.8V253 K257 L272 M275 I276 Q279 S291 D292 A297 Q298 S299V253-L295 HydrophobicContact CG1-CD2 4.04Å; K257-L295 HydrophobicContact CD-CD1 4.42Å; L272-L295 HydrophobicContact CD1-CD1 4.42Å; L272-L295 HydrophobicContact CD1-CD2 3.85Å; M275-L295 HydrophobicContact CB-CD1 3.66Å; M275-L295 HydrophobicContact CB-CG 3.85Å; M275-L295 HydrophobicContact CE-CD2 4.16Å; M275-L295 HydrophobicContact CE-CG 4.04Å; M275-L295 HydrophobicContact SD-CG 3.97Å; I276-L295 HydrophobicContact CG1-CD1 4.34Å; Q279-L295 HydrophobicContact CG-CD1 4.38Å; S291-L295 PolarHBondContact O-N 2.85Å; D292-L295 PolarHBondContact O-N 2.82Å; L295-A297 PolarHBondContact O-N 3.26Å; L295-Q298 PolarHBondContact O-N 3.11Å; L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.38Å; L295-S299 PolarHBondContact O-OG 3.45Å
296M92.9Very high87.2Confident11 Ų1138.6 Ų38.65%0.05421%0.213CC..Hα-helixtrans-61.1-44.8175.8-65-57.9120.400111.3F113 T250 V253 D292 L293 E294 Q298 S299 I300F113-M296 HydrophobicContact CE2-CB 4.01Å; T250-M296 HydrophobicContact CG2-CG 4.07Å; T250-M296 HydrophobicContact CG2-SD 4.21Å; V253-M296 HydrophobicContact CB-CE 4.2Å; V253-M296 HydrophobicContact CB-SD 3.58Å; V253-M296 VanDerWaalsContact CB-SD 3.58Å; V253-M296 HydrophobicContact CG1-CE 3.54Å; V253-M296 HydrophobicContact CG1-SD 3.5Å; V253-M296 VanDerWaalsContact CG1-SD 3.5Å; D292-M296 VanDerWaalsContact O-CG 3.27Å; D292-M296 WeakPolarHBondContact O-CG 3.43Å; D292-M296 PolarHBondContact O-N 3.19Å; L293-M296 PolarHBondContact O-N 3.44Å; E294-M296 VanDerWaalsContact C-N 3.33Å; E294-M296 PolarHBondContact O-N 3.07Å; M296-Q298 PolarHBondContact O-N 3.16Å; M296-S299 WeakPolarHBondContact O-CB 3.37Å; M296-S299 PolarHBondContact O-N 3.06Å; M296-I300 WeakPolarHBondContact O-CG1 3.38Å; M296-I300 PolarHBondContact O-N 2.8Å
297A94.8Very high89.2Confident0 Ų033.4 Ų33.40%018%0.18CC..Hα-helixtrans-62.2-41.4-18000000112.1F113 M114 N116 A117 L293 E294 L295 I301F113-A297 HydrophobicContact CD2-CB 4.18Å; F113-A297 HydrophobicContact CE2-CB 4.26Å; M114-A297 HydrophobicContact SD-CB 4.21Å; N116-A297 HydrophobicContact CB-CB 4.21Å; A117-A297 HydrophobicContact CB-CB 4.11Å; L293-A297 WeakPolarHBondContact O-CB 3.26Å; L293-A297 PolarHBondContact O-N 3.43Å; E294-A297 PolarHBondContact O-N 3.28Å; L295-A297 PolarHBondContact O-N 3.26Å; A297-I301 PolarHBondContact O-N 2.87Å
298Q95.2Very high90.9Very high0 Ų029.6 Ų29.60%016%0.163CC..Hα-helixtrans-65.8-41.6174.5-54.8-29.1-52.300111.9N116 I129 L133 F271 M275 E294 L295 M296 I300 I301 F302N116-Q298 PolarHBondContact O-NE2 3.15Å; I129-Q298 HydrophobicContact CG2-CG 4.4Å; L133-Q298 HydrophobicContact CD1-CB 4.28Å; L133-Q298 HydrophobicContact CD1-CG 3.86Å; F271-Q298 HydrophobicContact CE1-CB 4.34Å; F271-Q298 HydrophobicContact CZ-CB 4.01Å; M275-Q298 HydrophobicContact SD-CB 3.65Å; M275-Q298 HydrophobicContact SD-CG 4.18Å; E294-Q298 WeakPolarHBondContact O-CG 3.42Å; E294-Q298 PolarHBondContact O-N 3.23Å; E294-Q298 PolarHBondContact O-NE2 3.42Å; E294-Q298 VanDerWaalsContact O-NE2 3.13Å; L295-Q298 PolarHBondContact O-N 3.11Å; M296-Q298 PolarHBondContact O-N 3.16Å; Q298-I300 PolarHBondContact O-N 3.12Å; Q298-I301 VanDerWaalsContact O-CG2 3.29Å; Q298-I301 WeakPolarHBondContact O-CG2 3.48Å; Q298-I301 PolarHBondContact O-N 2.93Å; Q298-F302 WeakPolarHBondContact O-CB 3.46Å; Q298-F302 WeakPolarHBondContact O-CD2 3.36Å; Q298-F302 PolarHBondContact O-N 2.85Å
299S93.6Very high92.1Very high0 Ų024.3 Ų24.30%014%0.144CC..Hα-helixtrans-60-46.7179.3-58.40000111.5F189 V253 L295 M296 F302 I303F189-S299 WeakPolarHBondContact CE1-OG 3.47Å; V253-S299 WeakPolarHBondContact CG1-OG 3.32Å; L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.38Å; L295-S299 PolarHBondContact O-OG 3.45Å; M296-S299 WeakPolarHBondContact O-CB 3.37Å; M296-S299 PolarHBondContact O-N 3.06Å; S299-F302 PolarHBondContact O-N 2.87Å; S299-I303 VanDerWaalsContact O-CG1 3.32Å; S299-I303 WeakPolarHBondContact O-CG1 3.48Å; S299-I303 PolarHBondContact O-N 3.33Å
300I93.1Very high93Very high4 Ų422.4 Ų22.42%0.02113%0.128CC..Hα-helixtrans-63-44.9179.2-67.7170000111.2F113 M114 I246 L249 M296 Q298 F302 I303 F304F113-I300 HydrophobicContact CE2-CD1 4.28Å; F113-I300 HydrophobicContact CZ-CD1 3.93Å; M114-I300 HydrophobicContact CE-CB 4.02Å; M114-I300 HydrophobicContact CE-CG2 3.72Å; M114-I300 HydrophobicContact SD-CB 4.19Å; M114-I300 HydrophobicContact SD-CD1 3.94Å; M114-I300 HydrophobicContact SD-CG2 4.13Å; I246-I300 HydrophobicContact CD1-CD1 4.17Å; I246-I300 HydrophobicContact CD1-CG2 4.18Å; I246-I300 HydrophobicContact CG2-CD1 4.41Å; L249-I300 HydrophobicContact CB-CD1 4.17Å; L249-I300 HydrophobicContact CB-CG1 3.84Å; L249-I300 HydrophobicContact CD1-CG1 4.16Å; L249-I300 HydrophobicContact CD1-CG2 4Å; M296-I300 WeakPolarHBondContact O-CG1 3.38Å; M296-I300 PolarHBondContact O-N 2.8Å; Q298-I300 PolarHBondContact O-N 3.12Å; I300-F302 VanDerWaalsContact C-N 3.34Å; I300-F302 PolarHBondContact O-N 2.74Å; I300-I303 PolarHBondContact O-N 2.79Å; I300-F304 WeakPolarHBondContact O-CB 3.29Å; I300-F304 PolarHBondContact O-N 2.99Å
301I93.9Very high93.4Very high32 Ų3222.1 Ų22.116%0.16413%0.127CC..Hα-helixtrans-69.3-32.7-178.5-16667.1000112.2A117 I118 S119 A297 Q298 F304 A305A117-I301 HydrophobicContact CB-CB 4.31Å; A117-I301 HydrophobicContact CB-CG2 4.28Å; I118-I301 HydrophobicContact CG2-CG2 4.2Å; S119-I301 WeakPolarHBondContact OG-CD1 3.47Å; S119-I301 WeakPolarHBondContact OG-CG1 3.31Å; A297-I301 PolarHBondContact O-N 2.87Å; Q298-I301 VanDerWaalsContact O-CG2 3.29Å; Q298-I301 WeakPolarHBondContact O-CG2 3.48Å; Q298-I301 PolarHBondContact O-N 2.93Å; I301-F304 HydrophobicContact CD1-CD1 4.39Å; I301-A305 VanDerWaalsContact O-CB 3.23Å; I301-A305 WeakPolarHBondContact O-CB 3.4Å; I301-A305 PolarHBondContact O-N 2.78Å
302F94.3Very high93.7Very high14 Ų1420.2 Ų20.26%0.06111%0.113CC..Hα-helixtrans-70.7-42.7176.1-85.6-125.7000111.9I118 L133 F137 F271 Q298 S299 I300 F304 A305 G306 I443I118-F302 HydrophobicContact CG2-CE2 4.31Å; L133-F302 HydrophobicContact CD1-CE2 3.91Å; L133-F302 HydrophobicContact CD1-CZ 4.02Å; F137-F302 HydrophobicContact CE2-CD1 4.36Å; F137-F302 AromaticContact CE2-CE1 3.32Å; F137-F302 HydrophobicContact CE2-CE1 3.32Å; F137-F302 AromaticContact CE2-CZ 3.76Å; F137-F302 HydrophobicContact CE2-CZ 3.76Å; F137-F302 AromaticContact CZ-CD1 3.91Å; F137-F302 HydrophobicContact CZ-CD1 3.91Å; F137-F302 AromaticContact CZ-CE1 3.27Å; F137-F302 HydrophobicContact CZ-CE1 3.27Å; F137-F302 HydrophobicContact CZ-CZ 4.15Å; F271-F302 AromaticContact CD1-CD1 3.95Å; F271-F302 HydrophobicContact CD1-CD1 3.95Å; F271-F302 HydrophobicContact CD1-CE1 4.32Å; F271-F302 HydrophobicContact CD1-CG 4.31Å; F271-F302 HydrophobicContact CD2-CD1 4.06Å; F271-F302 AromaticContact CD2-CE1 3.61Å; F271-F302 HydrophobicContact CD2-CE1 3.61Å; F271-F302 HydrophobicContact CD2-CZ 4.19Å; F271-F302 HydrophobicContact CE1-CB 4.1Å; F271-F302 AromaticContact CE1-CD1 3.64Å; F271-F302 HydrophobicContact CE1-CD1 3.64Å; F271-F302 AromaticContact CE1-CD2 3.96Å; F271-F302 HydrophobicContact CE1-CD2 3.96Å; F271-F302 AromaticContact CE1-CE1 3.93Å; F271-F302 HydrophobicContact CE1-CE1 3.93Å; F271-F302 HydrophobicContact CE1-CE2 4.29Å; F271-F302 AromaticContact CE1-CG 3.64Å; F271-F302 HydrophobicContact CE1-CG 3.64Å; F271-F302 HydrophobicContact CE1-CZ 4.28Å; F271-F302 AromaticContact CE2-CD1 3.72Å; F271-F302 HydrophobicContact CE2-CD1 3.72Å; F271-F302 HydrophobicContact CE2-CD2 4.36Å; F271-F302 AromaticContact CE2-CE1 3.11Å; F271-F302 HydrophobicContact CE2-CE1 3.11Å; F271-F302 AromaticContact CE2-CE2 3.91Å; F271-F302 HydrophobicContact CE2-CE2 3.91Å; F271-F302 HydrophobicContact CE2-CG 4.31Å; F271-F302 AromaticContact CE2-CZ 3.26Å; F271-F302 HydrophobicContact CE2-CZ 3.26Å; F271-F302 HydrophobicContact CG-CD1 4.14Å; F271-F302 HydrophobicContact CG-CE1 4.16Å; F271-F302 AromaticContact CZ-CD1 3.5Å; F271-F302 HydrophobicContact CZ-CD1 3.5Å; F271-F302 AromaticContact CZ-CD2 3.58Å; F271-F302 HydrophobicContact CZ-CD2 3.58Å; F271-F302 AromaticContact CZ-CE1 3.3Å; F271-F302 HydrophobicContact CZ-CE1 3.3Å; F271-F302 AromaticContact CZ-CE2 3.45Å; F271-F302 HydrophobicContact CZ-CE2 3.45Å; F271-F302 VanDerWaalsContact CZ-CE2 3.45Å; F271-F302 AromaticContact CZ-CG 3.63Å; F271-F302 HydrophobicContact CZ-CG 3.63Å; F271-F302 AromaticContact CZ-CZ 3.32Å; F271-F302 HydrophobicContact CZ-CZ 3.32Å; Q298-F302 WeakPolarHBondContact O-CB 3.46Å; Q298-F302 WeakPolarHBondContact O-CD2 3.36Å; Q298-F302 PolarHBondContact O-N 2.85Å; S299-F302 PolarHBondContact O-N 2.87Å; I300-F302 VanDerWaalsContact C-N 3.34Å; I300-F302 PolarHBondContact O-N 2.74Å; F302-F304 VanDerWaalsContact C-N 3.34Å; F302-F304 PolarHBondContact O-N 3.49Å; F302-A305 PolarHBondContact O-N 2.78Å; F302-G306 PolarHBondContact O-N 3.4Å; F302-I443 HydrophobicContact CZ-CG2 4.15Å
303I92.9Very high94.1Very high1 Ų116.2 Ų16.21%0.0059%0.092CC..Hα-helixtrans-57.4-49.9173.3-69.5162.9000109.9M181 F189 T207 L249 V253 S299 I300 Y307M181-I303 HydrophobicContact CE-CG2 3.98Å; M181-I303 HydrophobicContact SD-CG2 4Å; F189-I303 HydrophobicContact CE2-CD1 3.77Å; F189-I303 HydrophobicContact CE2-CG1 3.51Å; F189-I303 HydrophobicContact CZ-CD1 3.91Å; F189-I303 HydrophobicContact CZ-CG1 3.91Å; T207-I303 HydrophobicContact CG2-CG2 4.29Å; L249-I303 HydrophobicContact CD2-CD1 4.43Å; V253-I303 HydrophobicContact CG2-CD1 4.48Å; S299-I303 VanDerWaalsContact O-CG1 3.32Å; S299-I303 WeakPolarHBondContact O-CG1 3.48Å; S299-I303 PolarHBondContact O-N 3.33Å; I300-I303 PolarHBondContact O-N 2.79Å; I303-Y307 WeakPolarHBondContact O-CB 3.36Å; I303-Y307 PolarHBondContact O-N 2.91Å
304F92.9Very high94.5Very high45 Ų4511.7 Ų11.720%0.1977%0.068CC..Hα-helixtrans-59.6-51.3179175.7-97.4000112.3T207 L210 L211 I300 I301 F302 Y307 E308 L482T207-F304 HydrophobicContact CG2-CD2 4.5Å; L210-F304 HydrophobicContact CB-CD2 3.75Å; L210-F304 HydrophobicContact CB-CE2 3.86Å; L210-F304 HydrophobicContact CD1-CB 4.3Å; L210-F304 HydrophobicContact CD1-CD2 3.94Å; L211-F304 HydrophobicContact CD2-CD2 4.45Å; L211-F304 HydrophobicContact CD2-CE2 3.38Å; L211-F304 HydrophobicContact CD2-CZ 3.71Å; L211-F304 HydrophobicContact CG-CE2 4.09Å; I300-F304 WeakPolarHBondContact O-CB 3.29Å; I300-F304 PolarHBondContact O-N 2.99Å; I301-F304 HydrophobicContact CD1-CD1 4.39Å; F302-F304 VanDerWaalsContact C-N 3.34Å; F302-F304 PolarHBondContact O-N 3.49Å; F304-Y307 PolarHBondContact O-N 2.86Å; F304-E308 PolarHBondContact O-N 2.98Å; F304-L482 HydrophobicContact CZ-CD1 4.1Å
305A93.7Very high94.7Very high42 Ų4210.9 Ų10.935%0.3477%0.065SC..Hα-helixtrans-64.5-45.4-177.300000111.8I301 F302 T309I301-A305 VanDerWaalsContact O-CB 3.23Å; I301-A305 WeakPolarHBondContact O-CB 3.4Å; I301-A305 PolarHBondContact O-N 2.78Å; F302-A305 PolarHBondContact O-N 2.78Å; A305-T309 PolarHBondContact O-N 2.77Å; A305-T309 PolarHBondContact O-OG1 3.2Å
306G93.3Very high95Very high7 Ų710.9 Ų10.97%0.0727%0.065CC..Hα-helixtrans-67.1-35.8-179.600000113.3F302 T310F302-G306 PolarHBondContact O-N 3.4Å; G306-T310 VanDerWaalsContact O-CB 3.24Å; G306-T310 WeakPolarHBondContact O-CB 3.19Å; G306-T310 PolarHBondContact O-OG1 3.29Å
307Y93.6Very high95.3Very high1 Ų110.4 Ų10.40%0.0046%0.063CC..Hα-helixtrans-73.6-61.1177.7171.2-105.8000112.6G177 M181 V204 T207 K208 L211 I303 F304 S311G177-Y307 VanDerWaalsContact O-CD2 3.26Å; G177-Y307 WeakPolarHBondContact O-CD2 3.17Å; G177-Y307 WeakPolarHBondContact O-CE2 3.41Å; M181-Y307 HydrophobicContact CB-CD2 3.87Å; M181-Y307 HydrophobicContact CB-CE2 4.36Å; M181-Y307 HydrophobicContact CE-CD1 4.41Å; M181-Y307 HydrophobicContact CE-CD2 3.62Å; M181-Y307 HydrophobicContact CE-CE2 4.27Å; M181-Y307 HydrophobicContact CE-CG 3.68Å; V204-Y307 HydrophobicContact CG1-CE2 4.17Å; V204-Y307 HydrophobicContact CG2-CE2 4.49Å; T207-Y307 HydrophobicContact CG2-CD1 3.52Å; T207-Y307 HydrophobicContact CG2-CE1 4.26Å; T207-Y307 HydrophobicContact CG2-CG 4.01Å; K208-Y307 WeakPolarHBondContact CE-OH 3.22Å; K208-Y307 HydrophobicContact CG-CE1 4.06Å; K208-Y307 WeakPolarHBondContact CG-OH 3.39Å; L211-Y307 HydrophobicContact CD1-CE1 4.47Å; I303-Y307 WeakPolarHBondContact O-CB 3.36Å; I303-Y307 PolarHBondContact O-N 2.91Å; F304-Y307 PolarHBondContact O-N 2.86Å; Y307-S311 WeakPolarHBondContact O-CB 3.45Å; Y307-S311 PolarHBondContact O-N 2.78Å; Y307-S311 PolarHBondContact O-OG 3.47Å
308E92.2Very high95.5Very high0 Ų010.4 Ų10.40%06%0.063CC..Hα-helixtrans-73.1-49.6-165.1176.465-171.200112.1K173 L211 F304 S311 S312 L482 Q484K173-E308 WeakPolarHBondContact CE-OE2 3.39Å; K173-E308 PolarHBondContact NZ-O 2.68Å; K173-E308 IonicContact NZ-OE1 2.88Å; K173-E308 PolarHBondContact NZ-OE1 3.39Å; K173-E308 IonicContact NZ-OE2 3.54Å; K173-E308 PolarHBondContact NZ-OE2 2.85Å; L211-E308 HydrophobicContact CD1-CG 4.17Å; L211-E308 WeakPolarHBondContact CD1-OE2 3.43Å; L211-E308 HydrophobicContact CD2-CB 3.81Å; L211-E308 HydrophobicContact CD2-CG 3.29Å; L211-E308 HydrophobicContact CG-CG 4.33Å; F304-E308 PolarHBondContact O-N 2.98Å; E308-S311 PolarHBondContact O-OG 3.14Å; E308-S312 WeakPolarHBondContact O-CB 3.42Å; E308-S312 PolarHBondContact O-N 3.03Å; E308-S312 PolarHBondContact O-OG 3.04Å; E308-S312 VanDerWaalsContact O-OG 3.06Å; E308-S312 PolarHBondContact OE1-OG 2.96Å; E308-L482 HydrophobicContact CG-CD1 3.98Å; E308-Q484 PolarHBondContact OE1-NE2 2.93Å
309T94.9Very high95.6Very high50 Ų5010.8 Ų10.831%0.3077%0.065SC..Hα-helixtrans-68-47.5-170.865.60000110.9A305 S311 S312 V313 V369A305-T309 PolarHBondContact O-N 2.77Å; A305-T309 PolarHBondContact O-OG1 3.2Å; T309-S311 PolarHBondContact O-N 3.37Å; T309-S312 PolarHBondContact O-N 3.47Å; T309-V313 WeakPolarHBondContact O-CG2 3.48Å; T309-V313 PolarHBondContact O-N 3.45Å; T309-V369 HydrophobicContact CG2-CG1 4.24Å
310T97.3Very high95.9Very high2 Ų211.5 Ų11.51%0.0127%0.068CC..Hα-helixtrans-58.1-50.7177.9-45.60000111.6G306 S312 V313 L314 M452G306-T310 VanDerWaalsContact O-CB 3.24Å; G306-T310 WeakPolarHBondContact O-CB 3.19Å; G306-T310 PolarHBondContact O-OG1 3.29Å; T310-S312 VanDerWaalsContact C-N 3.33Å; T310-S312 PolarHBondContact O-N 3.39Å; T310-V313 PolarHBondContact O-N 3.41Å; T310-L314 HydrophobicContact CG2-CD1 4.03Å; T310-L314 WeakPolarHBondContact O-CB 3.43Å; T310-L314 WeakPolarHBondContact O-CG 3.41Å; T310-L314 PolarHBondContact O-N 2.86Å; T310-M452 HydrophobicContact CG2-CG 3.62Å; T310-M452 HydrophobicContact CG2-SD 4.46Å
311S95.9Very high96.2Very high0 Ų011.3 Ų11.30%07%0.067CC..Hα-helixtrans-67.3-34.1-176.858.90000113K173 F176 S180 Y307 E308 T309 S315K173-S311 PolarHBondContact NZ-OG 2.89Å; F176-S311 WeakPolarHBondContact O-CB 3.47Å; S180-S311 PolarHBondContact OG-N 3.44Å; Y307-S311 WeakPolarHBondContact O-CB 3.45Å; Y307-S311 PolarHBondContact O-N 2.78Å; Y307-S311 PolarHBondContact O-OG 3.47Å; E308-S311 PolarHBondContact O-OG 3.14Å; T309-S311 PolarHBondContact O-N 3.37Å; S311-S315 WeakPolarHBondContact O-CB 3.04Å; S311-S315 PolarHBondContact O-N 2.93Å; S311-S315 VanDerWaalsContact O-N 3.13Å; S311-S315 PolarHBondContact O-OG 2.69Å
312S96.3Very high96.4Very high4 Ų410 Ų103%0.0286%0.06CC..Hα-helixtrans-68.7-47.3174.7-66.80000111.4K173 E308 T309 T310 S315 F316K173-S312 PolarHBondContact NZ-OG 3.47Å; E308-S312 WeakPolarHBondContact O-CB 3.42Å; E308-S312 PolarHBondContact O-N 3.03Å; E308-S312 PolarHBondContact O-OG 3.04Å; E308-S312 VanDerWaalsContact O-OG 3.06Å; E308-S312 PolarHBondContact OE1-OG 2.96Å; T309-S312 PolarHBondContact O-N 3.47Å; T310-S312 VanDerWaalsContact C-N 3.33Å; T310-S312 PolarHBondContact O-N 3.39Å; S312-S315 WeakPolarHBondContact O-CB 3.38Å; S312-S315 PolarHBondContact O-N 3.43Å; S312-F316 WeakPolarHBondContact O-CD2 3.45Å; S312-F316 PolarHBondContact O-N 3.01Å
313V98.4Very high96.6Very high8 Ų811 Ų115%0.0487%0.068CC..Hα-helixtrans-63.3-44.6177.9176.50000111.3T309 T310 S315 F316 I317 L364 V369 M452T309-V313 WeakPolarHBondContact O-CG2 3.48Å; T309-V313 PolarHBondContact O-N 3.45Å; T310-V313 PolarHBondContact O-N 3.41Å; V313-S315 PolarHBondContact O-N 3.28Å; V313-F316 PolarHBondContact O-N 3.41Å; V313-F316 VanDerWaalsContact O-N 3.14Å; V313-I317 HydrophobicContact CG1-CD1 3.82Å; V313-I317 HydrophobicContact CG1-CG1 4.19Å; V313-I317 VanDerWaalsContact O-CG1 3.31Å; V313-I317 WeakPolarHBondContact O-CG1 3.32Å; V313-I317 PolarHBondContact O-N 2.69Å; V313-L364 HydrophobicContact CG1-CD2 3.94Å; V313-L364 HydrophobicContact CG1-CG 4.35Å; V313-L364 HydrophobicContact CG2-CD2 3.83Å; V313-V369 HydrophobicContact CG2-CG2 3.63Å; V313-M452 HydrophobicContact CB-SD 3.64Å; V313-M452 HydrophobicContact CG1-CE 4.21Å; V313-M452 HydrophobicContact CG1-SD 3.43Å; V313-M452 WeakPolarHBondContact CG1-SD 3.18Å; V313-M452 HydrophobicContact CG2-SD 4.5Å
314L98.7Very high96.9Very high0 Ų013.5 Ų13.50%08%0.08CC..Hα-helixtrans-56.5-40.8174.1-76.9171.4000112.2F176 Y179 T310 I317 I318 M452 A455 L456F176-L314 HydrophobicContact CB-CB 4.16Å; F176-L314 HydrophobicContact CB-CD1 4.28Å; F176-L314 HydrophobicContact CD1-CB 4.02Å; F176-L314 HydrophobicContact CD1-CD1 3.77Å; F176-L314 HydrophobicContact CD1-CG 4.41Å; F176-L314 HydrophobicContact CD2-CB 4.03Å; F176-L314 HydrophobicContact CE1-CB 4.42Å; F176-L314 HydrophobicContact CE1-CD1 4.4Å; F176-L314 HydrophobicContact CE2-CB 4.45Å; F176-L314 HydrophobicContact CG-CB 3.82Å; F176-L314 HydrophobicContact CG-CD1 4.19Å; Y179-L314 HydrophobicContact CD1-CD1 4.13Å; Y179-L314 HydrophobicContact CE1-CD1 4.25Å; T310-L314 HydrophobicContact CG2-CD1 4.03Å; T310-L314 WeakPolarHBondContact O-CB 3.43Å; T310-L314 WeakPolarHBondContact O-CG 3.41Å; T310-L314 PolarHBondContact O-N 2.86Å; L314-I317 PolarHBondContact O-N 2.85Å; L314-I318 WeakPolarHBondContact O-CG1 3.38Å; L314-I318 PolarHBondContact O-N 2.97Å; L314-M452 HydrophobicContact CD2-CB 3.95Å; L314-M452 HydrophobicContact CD2-CG 4.14Å; L314-M452 HydrophobicContact CG-CB 4.39Å; L314-M452 HydrophobicContact CG-CG 4.02Å; L314-A455 HydrophobicContact CD1-CB 4.16Å; L314-A455 HydrophobicContact CD2-CB 4.13Å; L314-L456 HydrophobicContact CD2-CD1 4.28Å; L314-L456 HydrophobicContact CD2-CD2 4.01Å; L314-L456 HydrophobicContact CD2-CG 3.8Å
315S98.4Very high97.1Very high7 Ų715.4 Ų15.45%0.04910%0.096CC..Hα-helixtrans-65.7-41.3177.5-57.40000112L172 S311 S312 V313 Y319L172-S315 WeakPolarHBondContact CD1-O 3.35Å; S311-S315 WeakPolarHBondContact O-CB 3.04Å; S311-S315 PolarHBondContact O-N 2.93Å; S311-S315 VanDerWaalsContact O-N 3.13Å; S311-S315 PolarHBondContact O-OG 2.69Å; S312-S315 WeakPolarHBondContact O-CB 3.38Å; S312-S315 PolarHBondContact O-N 3.43Å; V313-S315 PolarHBondContact O-N 3.28Å; S315-Y319 WeakPolarHBondContact O-CB 3.44Å; S315-Y319 PolarHBondContact O-N 3.34Å
316F98.7Very high97.4Very high1 Ų118.5 Ų18.50%0.00411%0.107CC..Hα-helixtrans-65.6-41.6174.6-68.9-58.3000112.1S312 V313 I318 Y319 E320 T363 F367 L475 L477 P485 I489S312-F316 WeakPolarHBondContact O-CD2 3.45Å; S312-F316 PolarHBondContact O-N 3.01Å; V313-F316 PolarHBondContact O-N 3.41Å; V313-F316 VanDerWaalsContact O-N 3.14Å; F316-I318 PolarHBondContact O-N 3.1Å; F316-Y319 WeakPolarHBondContact O-CB 3.49Å; F316-Y319 PolarHBondContact O-N 2.93Å; F316-E320 PolarHBondContact O-N 2.5Å; F316-T363 HydrophobicContact CB-CG2 3.72Å; F316-F367 HydrophobicContact CB-CB 4.39Å; F316-F367 HydrophobicContact CB-CD2 3.75Å; F316-F367 HydrophobicContact CB-CE2 4.27Å; F316-F367 HydrophobicContact CB-CG 4.14Å; F316-F367 HydrophobicContact CD1-CB 4.4Å; F316-F367 AromaticContact CD1-CD1 3.88Å; F316-F367 HydrophobicContact CD1-CD1 3.88Å; F316-F367 HydrophobicContact CD1-CD2 4.04Å; F316-F367 HydrophobicContact CD1-CE1 4.14Å; F316-F367 HydrophobicContact CD1-CE2 4.28Å; F316-F367 AromaticContact CD1-CG 3.83Å; F316-F367 HydrophobicContact CD1-CG 3.83Å; F316-F367 HydrophobicContact CD1-CZ 4.32Å; F316-F367 HydrophobicContact CD2-CB 3.74Å; F316-F367 HydrophobicContact CD2-CG 4.07Å; F316-F367 AromaticContact CE1-CD1 3.88Å; F316-F367 HydrophobicContact CE1-CD1 3.88Å; F316-F367 HydrophobicContact CE1-CE1 4.22Å; F316-F367 HydrophobicContact CE1-CG 4.19Å; F316-F367 HydrophobicContact CE2-CB 4.04Å; F316-F367 HydrophobicContact CE2-CG 4.43Å; F316-F367 HydrophobicContact CG-CB 3.95Å; F316-F367 HydrophobicContact CG-CD1 4.29Å; F316-F367 AromaticContact CG-CD2 3.9Å; F316-F367 HydrophobicContact CG-CD2 3.9Å; F316-F367 HydrophobicContact CG-CE2 4.49Å; F316-F367 AromaticContact CG-CG 3.77Å; F316-F367 HydrophobicContact CG-CG 3.77Å; F316-F367 HydrophobicContact CZ-CB 4.48Å; F316-F367 HydrophobicContact CZ-CD1 4.27Å; F316-F367 HydrophobicContact CZ-CG 4.48Å; F316-L475 HydrophobicContact CD1-CD2 3.73Å; F316-L475 HydrophobicContact CE1-CD2 3.64Å; F316-L477 HydrophobicContact CE1-CD2 4.07Å; F316-L477 HydrophobicContact CZ-CD2 4.3Å; F316-P485 HydrophobicContact CE1-CB 4.44Å; F316-I489 HydrophobicContact CD1-CD1 4.12Å; F316-I489 HydrophobicContact CE1-CD1 4.46Å
317I98.9Very high97.6Very high0 Ų018.5 Ų18.50%011%0.105CC..Hα-helixtrans-59.8-50.7178.2-67.8170.7000109.8V313 L314 Y319 E320 L321 V359 V360 T363 L456V313-I317 HydrophobicContact CG1-CD1 3.82Å; V313-I317 HydrophobicContact CG1-CG1 4.19Å; V313-I317 VanDerWaalsContact O-CG1 3.31Å; V313-I317 WeakPolarHBondContact O-CG1 3.32Å; V313-I317 PolarHBondContact O-N 2.69Å; L314-I317 PolarHBondContact O-N 2.85Å; I317-Y319 VanDerWaalsContact C-N 3.29Å; I317-Y319 PolarHBondContact O-N 3.1Å; I317-E320 PolarHBondContact O-N 3.18Å; I317-L321 HydrophobicContact CG2-CD1 3.84Å; I317-L321 HydrophobicContact CG2-CG 4.33Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.46Å; I317-L321 PolarHBondContact O-N 2.99Å; I317-V359 HydrophobicContact CG2-CG1 3.92Å; I317-V360 HydrophobicContact CD1-CB 4.45Å; I317-V360 HydrophobicContact CD1-CG1 4.48Å; I317-V360 HydrophobicContact CD1-CG2 3.95Å; I317-T363 HydrophobicContact CB-CG2 4.38Å; I317-T363 HydrophobicContact CG1-CG2 3.6Å; I317-L456 HydrophobicContact CB-CD2 4.34Å; I317-L456 HydrophobicContact CD1-CD1 3.74Å; I317-L456 HydrophobicContact CG2-CD1 4Å; I317-L456 HydrophobicContact CG2-CD2 3.64Å; I317-L456 HydrophobicContact CG2-CG 4.49Å
318I98.7Very high97.9Very high0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-67.3-32-178.8-64.1-63.6000111.6L172 F176 L314 F316 L321 A322 L456 V459 F465 L491L172-I318 HydrophobicContact CD1-CB 3.82Å; L172-I318 HydrophobicContact CD1-CG2 3.72Å; L172-I318 HydrophobicContact CD2-CG2 4.19Å; F176-I318 HydrophobicContact CE2-CB 4.36Å; F176-I318 HydrophobicContact CE2-CG1 3.78Å; F176-I318 HydrophobicContact CZ-CD1 4.48Å; F176-I318 HydrophobicContact CZ-CG1 3.76Å; L314-I318 WeakPolarHBondContact O-CG1 3.38Å; L314-I318 PolarHBondContact O-N 2.97Å; F316-I318 PolarHBondContact O-N 3.1Å; I318-L321 HydrophobicContact CD1-CD1 4.27Å; I318-A322 WeakPolarHBondContact O-CB 3.48Å; I318-A322 PolarHBondContact O-N 2.93Å; I318-L456 HydrophobicContact CD1-CD2 3.72Å; I318-L456 HydrophobicContact CG1-CD2 4.22Å; I318-V459 HydrophobicContact CD1-CG1 4.49Å; I318-F465 HydrophobicContact CD1-CD2 4.3Å; I318-F465 HydrophobicContact CD1-CE2 4.23Å; I318-F465 HydrophobicContact CG2-CB 4.01Å; I318-F465 HydrophobicContact CG2-CD1 3.39Å; I318-F465 HydrophobicContact CG2-CD2 4.04Å; I318-F465 HydrophobicContact CG2-CE1 3.83Å; I318-F465 HydrophobicContact CG2-CE2 4.46Å; I318-F465 HydrophobicContact CG2-CG 3.51Å; I318-F465 HydrophobicContact CG2-CZ 4.36Å; I318-L491 HydrophobicContact CG2-CD1 3.66Å
319Y98.8Very high98.2Very high9 Ų923.9 Ų23.94%0.03513%0.131CC..Hα-helixtrans-58.8-52.6170.1176.2-94.8000111.6S315 F316 I317 L321 A322 T323 T471 Q472 I473 L475 I489S315-Y319 WeakPolarHBondContact O-CB 3.44Å; S315-Y319 PolarHBondContact O-N 3.34Å; F316-Y319 WeakPolarHBondContact O-CB 3.49Å; F316-Y319 PolarHBondContact O-N 2.93Å; I317-Y319 VanDerWaalsContact C-N 3.29Å; I317-Y319 PolarHBondContact O-N 3.1Å; Y319-L321 VanDerWaalsContact C-N 3.31Å; Y319-L321 PolarHBondContact O-N 3.18Å; Y319-A322 PolarHBondContact O-N 3.44Å; Y319-A322 VanDerWaalsContact O-N 3.12Å; Y319-T323 HydrophobicContact CE1-CG2 4.1Å; Y319-T323 HydrophobicContact CE2-CG2 4.1Å; Y319-T323 PolarHBondContact O-N 3.09Å; Y319-T323 PolarHBondContact O-OG1 3.21Å; Y319-T323 VanDerWaalsContact O-OG1 3.09Å; Y319-T471 HydrophobicContact CD2-CG2 4.42Å; Y319-T471 HydrophobicContact CE2-CG2 4.03Å; Y319-Q472 WeakPolarHBondContact CE2-O 3.41Å; Y319-Q472 PolarHBondContact OH-O 2.98Å; Y319-I473 HydrophobicContact CE2-CG1 4.49Å; Y319-L475 HydrophobicContact CD1-CB 4.45Å; Y319-L475 HydrophobicContact CD1-CD2 4.12Å; Y319-L475 HydrophobicContact CD2-CD1 4.43Å; Y319-L475 HydrophobicContact CE1-CB 3.72Å; Y319-L475 HydrophobicContact CE1-CD2 4.21Å; Y319-L475 HydrophobicContact CE1-CG 4.48Å; Y319-L475 HydrophobicContact CE2-CB 4.21Å; Y319-L475 HydrophobicContact CE2-CD1 4.14Å; Y319-L475 HydrophobicContact CG-CD2 4.38Å; Y319-L475 PolarHBondContact OH-N 2.77Å; Y319-I489 HydrophobicContact CD2-CG1 4.39Å; Y319-I489 HydrophobicContact CD2-CG2 3.94Å; Y319-I489 HydrophobicContact CG-CD1 4.49Å; Y319-I489 HydrophobicContact CG-CG2 4.49Å
320E98.8Very high98.4Very high15 Ų1526 Ų267%0.0714%0.136CC..Hα-helixtrans-62.9-38.2-179.4-68.6-56.9158.700112.1F316 I317 T323 H324 F367 F414F316-E320 PolarHBondContact O-N 2.5Å; I317-E320 PolarHBondContact O-N 3.18Å; E320-T323 WeakPolarHBondContact CA-OG1 3.11Å; E320-T323 PolarHBondContact O-N 2.8Å; E320-T323 PolarHBondContact O-OG1 3.04Å; E320-H324 WeakPolarHBondContact O-CB 3.43Å; E320-H324 PolarHBondContact O-N 3.49Å; E320-H324 PolarHBondContact O-ND1 2.86Å; E320-H324 IonicContact OE2-CE1 2.66Å; E320-H324 PolarHBondContact OE2-CE1 2.67Å; E320-H324 IonicContact OE2-ND1 3.69Å; E320-H324 PolarHBondContact OE2-ND1 3.36Å; E320-F367 HydrophobicContact CG-CE2 3.98Å; E320-F367 WeakPolarHBondContact OE1-CE2 3.44Å; E320-F367 VanDerWaalsContact OE1-CZ 3.29Å; E320-F367 WeakPolarHBondContact OE1-CZ 3.24Å; E320-F414 HydrophobicContact CB-CD1 3.97Å; E320-F414 HydrophobicContact CB-CD2 4.06Å; E320-F414 HydrophobicContact CB-CE1 3.86Å; E320-F414 HydrophobicContact CB-CE2 4Å; E320-F414 HydrophobicContact CB-CG 4.06Å; E320-F414 HydrophobicContact CB-CZ 3.9Å; E320-F414 HydrophobicContact CG-CD2 3.91Å; E320-F414 HydrophobicContact CG-CE2 4.14Å; E320-F414 HydrophobicContact CG-CG 4.15Å
321L98.8Very high98.4Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-66.4-37.2174.8-66.6174.9000112.2I317 I318 Y319 H324 V327 Q328 V331 V359 L460I317-L321 HydrophobicContact CG2-CD1 3.84Å; I317-L321 HydrophobicContact CG2-CG 4.33Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.46Å; I317-L321 PolarHBondContact O-N 2.99Å; I318-L321 HydrophobicContact CD1-CD1 4.27Å; Y319-L321 VanDerWaalsContact C-N 3.31Å; Y319-L321 PolarHBondContact O-N 3.18Å; L321-H324 CarbonylContact O-C 3.6Å; L321-H324 PolarHBondContact O-N 3.33Å; L321-V327 HydrophobicContact CD2-CG1 3.85Å; L321-Q328 HydrophobicContact CB-CB 4.07Å; L321-Q328 HydrophobicContact CB-CG 4.1Å; L321-Q328 HydrophobicContact CD2-CB 4.32Å; L321-Q328 WeakPolarHBondContact O-CB 3.22Å; L321-Q328 PolarHBondContact O-NE2 3.47Å; L321-V331 HydrophobicContact CD2-CG1 4.04Å; L321-V359 HydrophobicContact CD1-CG1 4.47Å; L321-V359 HydrophobicContact CD2-CG1 4Å; L321-V359 HydrophobicContact CD2-CG2 4.43Å; L321-V359 HydrophobicContact CG-CG1 4.4Å; L321-L460 HydrophobicContact CD1-CD1 4.03Å; L321-L460 HydrophobicContact CD1-CD2 4.19Å
322A98.7Very high98.5Very high3 Ų326.5 Ų26.53%0.02514%0.138CC..Hα-helixtrans-69.5-34.6177.300000112.4I318 Y319 F465 P467 L491I318-A322 WeakPolarHBondContact O-CB 3.48Å; I318-A322 PolarHBondContact O-N 2.93Å; Y319-A322 PolarHBondContact O-N 3.44Å; Y319-A322 VanDerWaalsContact O-N 3.12Å; A322-F465 HydrophobicContact CB-CB 4.05Å; A322-P467 HydrophobicContact CB-CG 4.43Å; A322-P467 VanDerWaalsContact O-CD 3.28Å; A322-P467 WeakPolarHBondContact O-CD 3.16Å; A322-L491 HydrophobicContact CB-CD1 3.74Å; A322-L491 HydrophobicContact CB-CD2 3.85Å; A322-L491 HydrophobicContact CB-CG 4.45Å
323T98.6Very high98.7Very high36 Ų3632.1 Ų32.122%0.22116%0.162CC..Hα-helixtrans-84.7-12.2177.554.30000113.7Y319 E320 P467 I473Y319-T323 HydrophobicContact CE1-CG2 4.1Å; Y319-T323 HydrophobicContact CE2-CG2 4.1Å; Y319-T323 PolarHBondContact O-N 3.09Å; Y319-T323 PolarHBondContact O-OG1 3.21Å; Y319-T323 VanDerWaalsContact O-OG1 3.09Å; E320-T323 WeakPolarHBondContact CA-OG1 3.11Å; E320-T323 PolarHBondContact O-N 2.8Å; E320-T323 PolarHBondContact O-OG1 3.04Å; T323-P467 HydrophobicContact CG2-CG 4.39Å; T323-I473 HydrophobicContact CG2-CD1 3.93Å; T323-I473 HydrophobicContact CG2-CG1 4.2Å
324H98.8Very high98.7Very high54 Ų5433.5 Ų33.525%0.2517%0.168CC..  trans-125.776.7175-56.683.6000111.1E320 L321 D326 V327 Q328 F414E320-H324 WeakPolarHBondContact O-CB 3.43Å; E320-H324 PolarHBondContact O-N 3.49Å; E320-H324 PolarHBondContact O-ND1 2.86Å; E320-H324 IonicContact OE2-CE1 2.66Å; E320-H324 PolarHBondContact OE2-CE1 2.67Å; E320-H324 IonicContact OE2-ND1 3.69Å; E320-H324 PolarHBondContact OE2-ND1 3.36Å; L321-H324 CarbonylContact O-C 3.6Å; L321-H324 PolarHBondContact O-N 3.33Å; H324-D326 PolarHBondContact O-N 3.24Å; H324-V327 HydrophobicContact CB-CB 4.06Å; H324-V327 HydrophobicContact CB-CG2 3.95Å; H324-V327 PolarHBondContact O-N 3.05Å; H324-V327 VanDerWaalsContact O-N 3.07Å; H324-Q328 PolarHBondContact O-N 3.03Å; H324-F414 HydrophobicContact CB-CD1 4.45Å; H324-F414 AromaticContact CG-CD1 3.98Å; H324-F414 AromaticContact ND1-CD1 3.76Å
325P98.4Very high98.6Very high85 Ų8533.5 Ų33.555%0.55217%0.168SC*.Hα-helixtrans-59.6-29.9-174.2-2535000114.4Q328 Q329P325-Q328 PolarHBondContact O-N 3.44Å; P325-Q329 WeakPolarHBondContact O-CB 3.4Å; P325-Q329 PolarHBondContact O-N 2.62Å
326D98.5Very high98.6Very high107 Ų10735.8 Ų35.857%0.57218%0.179SC*.Hα-helixtrans-63.9-44.217561.5-53.2000111.7H324 Q329 K330H324-D326 PolarHBondContact O-N 3.24Å; D326-Q329 PolarHBondContact O-N 2.89Å; D326-K330 WeakPolarHBondContact O-CB 3.29Å; D326-K330 PolarHBondContact O-N 3.41Å
327V98.8Very high98.5Very high6 Ų641.2 Ų41.24%0.03621%0.213CC..Hα-helixtrans-66.4-43.1175178.70000110.5L321 H324 Q329 K330 V331 Y355 V359 F414 P416L321-V327 HydrophobicContact CD2-CG1 3.85Å; H324-V327 HydrophobicContact CB-CB 4.06Å; H324-V327 HydrophobicContact CB-CG2 3.95Å; H324-V327 PolarHBondContact O-N 3.05Å; H324-V327 VanDerWaalsContact O-N 3.07Å; V327-Q329 PolarHBondContact O-N 3.49Å; V327-K330 PolarHBondContact O-N 3.17Å; V327-V331 PolarHBondContact O-N 3.02Å; V327-Y355 HydrophobicContact CG1-CE1 3.95Å; V327-V359 HydrophobicContact CG1-CG2 3.81Å; V327-F414 HydrophobicContact CB-CE1 4.45Å; V327-F414 HydrophobicContact CG1-CE1 3.91Å; V327-F414 HydrophobicContact CG2-CE1 4.46Å; V327-P416 HydrophobicContact CG1-CG 3.86Å; V327-P416 HydrophobicContact CG2-CG 4.41Å
328Q98.8Very high98.5Very high9 Ų943.6 Ų43.64%0.04223%0.227CC..Hα-helixtrans-59.5-45.9176.6-170178.4171.400112.1L321 H324 P325 K330 V331 Q332 L460 S464 F465L321-Q328 HydrophobicContact CB-CB 4.07Å; L321-Q328 HydrophobicContact CB-CG 4.1Å; L321-Q328 HydrophobicContact CD2-CB 4.32Å; L321-Q328 WeakPolarHBondContact O-CB 3.22Å; L321-Q328 PolarHBondContact O-NE2 3.47Å; H324-Q328 PolarHBondContact O-N 3.03Å; P325-Q328 PolarHBondContact O-N 3.44Å; Q328-K330 VanDerWaalsContact C-N 3.32Å; Q328-K330 PolarHBondContact O-N 3.01Å; Q328-V331 VanDerWaalsContact O-CG1 3.24Å; Q328-V331 WeakPolarHBondContact O-CG1 3.33Å; Q328-V331 PolarHBondContact O-N 3.05Å; Q328-Q332 WeakPolarHBondContact O-CB 3.46Å; Q328-Q332 WeakPolarHBondContact O-CG 3.45Å; Q328-Q332 PolarHBondContact O-N 3.05Å; Q328-L460 HydrophobicContact CG-CD2 4.42Å; Q328-S464 VanDerWaalsContact OE1-CA 3.27Å; Q328-F465 PolarHBondContact NE2-O 3.33Å
329Q98.6Very high98.4Very high106 Ų10644 Ų4450%0.49523%0.229SC..Hα-helixtrans-64.1-39176.9-168.8-175.924.200111.5P325 D326 V327 Q332 K333P325-Q329 WeakPolarHBondContact O-CB 3.4Å; P325-Q329 PolarHBondContact O-N 2.62Å; D326-Q329 PolarHBondContact O-N 2.89Å; V327-Q329 PolarHBondContact O-N 3.49Å; Q329-Q332 PolarHBondContact O-N 3.49Å; Q329-K333 WeakPolarHBondContact O-CG 3.43Å; Q329-K333 PolarHBondContact O-N 2.95Å
330K98.7Very high98.2Very high94 Ų9447.1 Ų47.141%0.40925%0.251SS..Hα-helixtrans-66-44179.1-175.4169.3169.1-175.60112.3D326 V327 Q328 K333 E334 Y355 E417D326-K330 WeakPolarHBondContact O-CB 3.29Å; D326-K330 PolarHBondContact O-N 3.41Å; V327-K330 PolarHBondContact O-N 3.17Å; Q328-K330 VanDerWaalsContact C-N 3.32Å; Q328-K330 PolarHBondContact O-N 3.01Å; K330-K333 PolarHBondContact O-N 2.85Å; K330-E334 PolarHBondContact O-N 3.13Å; K330-E334 VanDerWaalsContact O-N 3.09Å; K330-Y355 HydrophobicContact CB-CD1 4.29Å; K330-Y355 HydrophobicContact CB-CE1 3.7Å; K330-Y355 HydrophobicContact CD-CD1 4.32Å; K330-Y355 HydrophobicContact CD-CD2 4.31Å; K330-Y355 HydrophobicContact CD-CE1 3.77Å; K330-Y355 HydrophobicContact CD-CE2 3.76Å; K330-Y355 VanDerWaalsContact CD-CZ 3.45Å; K330-Y355 HydrophobicContact CG-CD1 3.85Å; K330-Y355 HydrophobicContact CG-CE1 3.55Å; K330-Y355 HydrophobicContact CG-CE2 4.34Å; K330-Y355 HydrophobicContact CG-CG 4.35Å; K330-E417 IonicContact NZ-OE1 2.93Å; K330-E417 PolarHBondContact NZ-OE1 3.11Å
331V98.6Very high97.9Very high0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-69.1-36176.269.30000112L321 V327 Q328 E334 I335 Y355 L356 L460L321-V331 HydrophobicContact CD2-CG1 4.04Å; V327-V331 PolarHBondContact O-N 3.02Å; Q328-V331 VanDerWaalsContact O-CG1 3.24Å; Q328-V331 WeakPolarHBondContact O-CG1 3.33Å; Q328-V331 PolarHBondContact O-N 3.05Å; V331-E334 PolarHBondContact O-N 2.79Å; V331-I335 HydrophobicContact CG2-CD1 4.08Å; V331-I335 WeakPolarHBondContact O-CD1 3.17Å; V331-I335 VanDerWaalsContact O-CG1 3.27Å; V331-I335 WeakPolarHBondContact O-CG1 3.02Å; V331-I335 PolarHBondContact O-N 3.11Å; V331-Y355 HydrophobicContact CB-CD1 3.83Å; V331-Y355 HydrophobicContact CB-CE1 4.22Å; V331-Y355 HydrophobicContact CG2-CD1 4.39Å; V331-L356 HydrophobicContact CG2-CB 3.96Å; V331-L356 HydrophobicContact CG2-CD1 3.85Å; V331-L356 HydrophobicContact CG2-CG 4.5Å; V331-L460 HydrophobicContact CG1-CD1 3.94Å; V331-L460 HydrophobicContact CG2-CD1 4.46Å
332Q98.6Very high97.6Very high13 Ų1357.2 Ų57.26%0.06130%0.303CS..Hα-helixtrans-60.6-45.2172.9-77.3172.3-15.300111.5Q328 Q329 E334 I335 D336 L460 F463 S464Q328-Q332 WeakPolarHBondContact O-CB 3.46Å; Q328-Q332 WeakPolarHBondContact O-CG 3.45Å; Q328-Q332 PolarHBondContact O-N 3.05Å; Q329-Q332 PolarHBondContact O-N 3.49Å; Q332-E334 PolarHBondContact O-N 3.05Å; Q332-I335 PolarHBondContact O-N 3.42Å; Q332-D336 WeakPolarHBondContact O-CB 3.36Å; Q332-D336 PolarHBondContact O-N 3.23Å; Q332-L460 HydrophobicContact CG-CB 4.22Å; Q332-L460 HydrophobicContact CG-CD2 4.49Å; Q332-F463 PolarHBondContact NE2-O 3.43Å; Q332-F463 VanDerWaalsContact NE2-O 3.15Å; Q332-S464 PolarHBondContact NE2-OG 2.83Å
333K98.4Very high97.4Very high121 Ų12158.7 Ų58.753%0.52632%0.315SS..Hα-helixtrans-61.1-41.9176.1-76175.1178.6177.50112.8Q329 K330 D336 T337Q329-K333 WeakPolarHBondContact O-CG 3.43Å; Q329-K333 PolarHBondContact O-N 2.95Å; K330-K333 PolarHBondContact O-N 2.85Å; K333-D336 PolarHBondContact O-N 2.63Å; K333-T337 WeakPolarHBondContact O-CB 3.45Å; K333-T337 PolarHBondContact O-N 3.06Å; K333-T337 PolarHBondContact O-OG1 2.95Å
334E98.5Very high97.2Very high38 Ų3861.7 Ų61.718%0.17834%0.335CS..Hα-helixtrans-59.2-49174.4-179.5-176.2-11800110.8K330 V331 Q332 D336 T337 V338 L353 E354 Y355 L356K330-E334 PolarHBondContact O-N 3.13Å; K330-E334 VanDerWaalsContact O-N 3.09Å; V331-E334 PolarHBondContact O-N 2.79Å; Q332-E334 PolarHBondContact O-N 3.05Å; E334-D336 PolarHBondContact O-N 3.4Å; E334-T337 PolarHBondContact O-N 2.76Å; E334-V338 WeakPolarHBondContact O-CG2 3.27Å; E334-V338 PolarHBondContact O-N 2.83Å; E334-L353 HydrophobicContact CG-CD2 3.84Å; E334-E354 PolarHBondContact OE1-N 2.95Å; E334-E354 VanDerWaalsContact OE1-N 3.08Å; E334-Y355 VanDerWaalsContact CD-CB 3.49Å; E334-Y355 VanDerWaalsContact CD-N 3.35Å; E334-Y355 WeakPolarHBondContact OE1-CB 3.33Å; E334-Y355 PolarHBondContact OE1-N 3.18Å; E334-Y355 WeakPolarHBondContact OE2-CB 3.48Å; E334-Y355 PolarHBondContact OE2-N 3Å; E334-L356 PolarHBondContact OE2-N 3.42Å
335I98.4Very high97Very high0 Ų059.5 Ų59.50%033%0.325CS..Hα-helixtrans-60.4-46.2179.4-69.1164.7000111.1V331 Q332 T337 V338 L339 L353 V457 L460 Q461V331-I335 HydrophobicContact CG2-CD1 4.08Å; V331-I335 WeakPolarHBondContact O-CD1 3.17Å; V331-I335 VanDerWaalsContact O-CG1 3.27Å; V331-I335 WeakPolarHBondContact O-CG1 3.02Å; V331-I335 PolarHBondContact O-N 3.11Å; Q332-I335 PolarHBondContact O-N 3.42Å; I335-T337 VanDerWaalsContact C-N 3.27Å; I335-T337 PolarHBondContact O-N 3.29Å; I335-V338 PolarHBondContact O-N 2.98Å; I335-L339 WeakPolarHBondContact O-CA 3.32Å; I335-L339 WeakPolarHBondContact O-CB 3.02Å; I335-L339 PolarHBondContact O-N 2.8Å; I335-L353 HydrophobicContact CG1-CD1 4.32Å; I335-L353 HydrophobicContact CG1-CD2 4.22Å; I335-V457 HydrophobicContact CD1-CG2 4.38Å; I335-V457 HydrophobicContact CG1-CG2 4.38Å; I335-V457 HydrophobicContact CG2-CG1 4.04Å; I335-L460 HydrophobicContact CD1-CB 3.87Å; I335-L460 HydrophobicContact CD1-CD1 3.94Å; I335-Q461 HydrophobicContact CG2-CG 3.49Å; I335-Q461 VanDerWaalsContact CG2-CG 3.49Å
336D97.6Very high96.8Very high54 Ų5458.8 Ų58.829%0.28932%0.32SS..Hα-helixtrans-65.8-31.1-179.8-62.1-22.4000111.9Q332 K333 E334 L339 P340 R496Q332-D336 WeakPolarHBondContact O-CB 3.36Å; Q332-D336 PolarHBondContact O-N 3.23Å; K333-D336 PolarHBondContact O-N 2.63Å; E334-D336 PolarHBondContact O-N 3.4Å; D336-L339 CarbonylContact O-C 3.53Å; D336-P340 VanDerWaalsContact O-CA 3.26Å; D336-P340 WeakPolarHBondContact O-CA 3.15Å; D336-R496 IonicContact OD1-NH1 2.62Å; D336-R496 PolarHBondContact OD1-NH1 3.13Å; D336-R496 IonicContact OD1-NH2 3.26Å; D336-R496 IonicContact OD2-CZ 2.81Å; D336-R496 IonicContact OD2-NH1 3.56Å; D336-R496 PolarHBondContact OD2-NH1 3.2Å; D336-R496 IonicContact OD2-NH2 2.66Å; D336-R496 PolarHBondContact OD2-NH2 3.1Å
337T97.3Very high96.5Very high116 Ų11654.6 Ų54.671%0.71230%0.296SS*.Hα-helixtrans-71.2-45.2177-57.80000111.6K333 E334 I335K333-T337 WeakPolarHBondContact O-CB 3.45Å; K333-T337 PolarHBondContact O-N 3.06Å; K333-T337 PolarHBondContact O-OG1 2.95Å; E334-T337 PolarHBondContact O-N 2.76Å; I335-T337 VanDerWaalsContact C-N 3.27Å; I335-T337 PolarHBondContact O-N 3.29Å
338V97.4Very high96.2Very high50 Ų5058 Ų5830%0.30331%0.314SS..Hα-helixtrans-78.2-32.4-178.7177.50000111.7E334 I335 P340 L353E334-V338 WeakPolarHBondContact O-CG2 3.27Å; E334-V338 PolarHBondContact O-N 2.83Å; I335-V338 PolarHBondContact O-N 2.98Å; V338-P340 WeakPolarHBondContact O-CD 3.4Å; V338-L353 HydrophobicContact CB-CD2 3.88Å; V338-L353 HydrophobicContact CG1-CD2 4.2Å; V338-L353 HydrophobicContact CG2-CD2 3.88Å
339L96.4Very high95.9Very high8 Ų858.7 Ų58.74%0.04232%0.319CS..SBendtrans-127.669.6-177.1-63.3168.9000110.3I335 D336 A343 P345 T349 V457I335-L339 WeakPolarHBondContact O-CA 3.32Å; I335-L339 WeakPolarHBondContact O-CB 3.02Å; I335-L339 PolarHBondContact O-N 2.8Å; D336-L339 CarbonylContact O-C 3.53Å; L339-A343 HydrophobicContact CB-CB 4.2Å; L339-A343 HydrophobicContact CD2-CB 4.2Å; L339-P345 HydrophobicContact CD1-CB 4.01Å; L339-T349 HydrophobicContact CD2-CG2 4.07Å; L339-V457 HydrophobicContact CD1-CG1 3.57Å
340P94.9Very high95.6Very high75 Ų7553.7 Ų53.749%0.48730%0.295SS..G310 helixtrans-61.4154.7-178.427.1-35.6000111.4D336 V338 K342 A343D336-P340 VanDerWaalsContact O-CA 3.26Å; D336-P340 WeakPolarHBondContact O-CA 3.15Å; V338-P340 WeakPolarHBondContact O-CD 3.4Å; P340-K342 PolarHBondContact O-N 3.44Å; P340-K342 VanDerWaalsContact O-N 3.12Å; P340-A343 WeakPolarHBondContact O-CB 3.46Å; P340-A343 PolarHBondContact O-N 3.36Å
341N93.3Very high95.3Very high167 Ų16753.8 Ų53.889%0.89330%0.3SS*.G310 helixtrans53.931.9-179.9-54.4-40.8000113.6A343N341-A343 PolarHBondContact O-N 2.91Å
342K92.9Very high95Very high60 Ų6059.4 Ų59.426%0.26133%0.326SS..G310 helixtrans57.935.5-177.3-51.2-179.1176.4-165.60113.3P340 Q461 N462 D497P340-K342 PolarHBondContact O-N 3.44Å; P340-K342 VanDerWaalsContact O-N 3.12Å; K342-Q461 WeakPolarHBondContact CE-O 3.26Å; K342-Q461 HydrophobicContact CG-CB 4.33Å; K342-N462 PolarHBondContact NZ-OD1 3Å; K342-D497 IonicContact NZ-OD1 2.63Å; K342-D497 PolarHBondContact NZ-OD1 3.4Å
343A94.7Very high95Very high34 Ų3458.8 Ų58.828%0.28132%0.323SS..PPolyproline II helixtrans-51139.717600000111L339 P340 N341 Q461L339-A343 HydrophobicContact CB-CB 4.2Å; L339-A343 HydrophobicContact CD2-CB 4.2Å; P340-A343 WeakPolarHBondContact O-CB 3.46Å; P340-A343 PolarHBondContact O-N 3.36Å; N341-A343 PolarHBondContact O-N 2.91Å; A343-Q461 PolarHBondContact O-NE2 3.21Å
344P93.8Very high94.9Very high98 Ų9857.3 Ų57.364%0.63632%0.318SS*.PPolyproline II helixtrans-65.7136.8-178.626.4-33.3000110.5
345P94.3Very high94.9Very high8 Ų856.3 Ų56.35%0.05231%0.313CS..PPolyproline II helixtrans-70.5142.317928.2-33.6000111.8L339 V350 L454 V457 R458L339-P345 HydrophobicContact CD1-CB 4.01Å; P345-V350 HydrophobicContact CB-CG2 3.94Å; P345-L454 HydrophobicContact CB-CD2 3.73Å; P345-L454 HydrophobicContact CG-CD2 3.56Å; P345-V457 HydrophobicContact CB-CG1 3.98Å; P345-V457 HydrophobicContact CG-CB 4.5Å; P345-V457 HydrophobicContact CG-CG1 4.04Å; P345-R458 HydrophobicContact CG-CG 4.36Å
346T93.5Very high94.9Very high71 Ų7156.3 Ų56.344%0.43631%0.313SS..  trans-106.7171.416870.90000110.5D348 T349 V350T346-D348 VanDerWaalsContact C-N 3.31Å; T346-D348 PolarHBondContact O-N 3.45Å; T346-T349 PolarHBondContact N-OG1 3.35Å; T346-T349 PolarHBondContact O-OG1 2.88Å; T346-T349 WeakPolarHBondContact OG1-CG2 3.37Å; T346-T349 PolarHBondContact OG1-N 2.67Å; T346-T349 PolarHBondContact OG1-OG1 3.46Å; T346-T349 VanDerWaalsContact OG1-OG1 3.13Å; T346-V350 WeakPolarHBondContact O-CG2 3.4Å; T346-V350 PolarHBondContact O-N 3.45Å; T346-V350 VanDerWaalsContact O-N 3.15Å
347Y92.6Very high95Very high18 Ų1856.3 Ų56.37%0.07131%0.313CS..Hα-helixtrans-56.1-46.8174.7-175.7-91.5000112L142 K143 V146 V350 L351 R446 V450L142-Y347 HydrophobicContact CB-CD2 4.48Å; L142-Y347 HydrophobicContact CB-CE2 3.77Å; K143-Y347 HydrophobicContact CD-CD1 4.15Å; K143-Y347 HydrophobicContact CD-CG 4.4Å; K143-Y347 HydrophobicContact CG-CD1 3.7Å; K143-Y347 HydrophobicContact CG-CD2 3.87Å; K143-Y347 HydrophobicContact CG-CE1 4.11Å; K143-Y347 HydrophobicContact CG-CE2 4.3Å; K143-Y347 HydrophobicContact CG-CG 3.53Å; V146-Y347 HydrophobicContact CG2-CD2 3.83Å; V146-Y347 HydrophobicContact CG2-CG 4.38Å; Y347-V350 PolarHBondContact O-N 2.99Å; Y347-L351 HydrophobicContact CD1-CD1 3.92Å; Y347-L351 HydrophobicContact CE1-CD1 3.42Å; Y347-L351 VanDerWaalsContact CE1-CD1 3.42Å; Y347-L351 HydrophobicContact CE1-CG 4.3Å; Y347-L351 WeakPolarHBondContact O-CG 3.49Å; Y347-L351 PolarHBondContact O-N 3.08Å; Y347-R446 PolarHBondContact OH-NH2 2.9Å; Y347-V450 HydrophobicContact CD2-CG1 4.41Å; Y347-V450 HydrophobicContact CD2-CG2 4.38Å; Y347-V450 HydrophobicContact CE2-CG2 3.89Å
348D93.2Very high95Very high78 Ų7851.5 Ų51.542%0.41728%0.282SS..Hα-helixtrans-74.1-36.7-173-60.8-58000111.1K143 T346 V350 L351 Q352K143-D348 VanDerWaalsContact NZ-CG 3.3Å; K143-D348 IonicContact NZ-OD1 3.14Å; K143-D348 PolarHBondContact NZ-OD1 3.14Å; K143-D348 IonicContact NZ-OD2 2.68Å; K143-D348 PolarHBondContact NZ-OD2 2.87Å; T346-D348 VanDerWaalsContact C-N 3.31Å; T346-D348 PolarHBondContact O-N 3.45Å; D348-V350 VanDerWaalsContact C-N 3.35Å; D348-V350 PolarHBondContact O-N 3.4Å; D348-L351 PolarHBondContact O-N 2.92Å; D348-Q352 WeakPolarHBondContact O-CG 3.5Å; D348-Q352 PolarHBondContact O-N 3.09Å
349T93Very high95.1Very high24 Ų2449.1 Ų49.115%0.14727%0.268CS..Hα-helixtrans-65.6-36.717556.30000112.1L339 T346 L351 Q352 L353L339-T349 HydrophobicContact CD2-CG2 4.07Å; T346-T349 PolarHBondContact N-OG1 3.35Å; T346-T349 PolarHBondContact O-OG1 2.88Å; T346-T349 WeakPolarHBondContact OG1-CG2 3.37Å; T346-T349 PolarHBondContact OG1-N 2.67Å; T346-T349 PolarHBondContact OG1-OG1 3.46Å; T346-T349 VanDerWaalsContact OG1-OG1 3.13Å; T349-L351 PolarHBondContact O-N 2.82Å; T349-Q352 WeakPolarHBondContact O-CB 3.27Å; T349-Q352 PolarHBondContact O-N 3.43Å; T349-Q352 VanDerWaalsContact O-N 3.09Å; T349-L353 PolarHBondContact O-N 3.27Å
350V92.2Very high95.2Very high1 Ų148.7 Ų48.71%0.00627%0.266CS..Hα-helixtrans-64.1-30.1177.1165.50000112.4P345 T346 Y347 D348 Q352 K453 L454P345-V350 HydrophobicContact CB-CG2 3.94Å; T346-V350 WeakPolarHBondContact O-CG2 3.4Å; T346-V350 PolarHBondContact O-N 3.45Å; T346-V350 VanDerWaalsContact O-N 3.15Å; Y347-V350 PolarHBondContact O-N 2.99Å; D348-V350 VanDerWaalsContact C-N 3.35Å; D348-V350 PolarHBondContact O-N 3.4Å; V350-Q352 VanDerWaalsContact C-N 3.34Å; V350-K453 HydrophobicContact CG1-CB 3.46Å; V350-K453 VanDerWaalsContact CG1-CB 3.46Å; V350-K453 HydrophobicContact CG1-CD 3.69Å; V350-K453 HydrophobicContact CG1-CG 4.25Å; V350-L454 HydrophobicContact CG2-CD2 3.65Å; V350-L454 HydrophobicContact CG2-CG 4.09Å
351L90.8Very high95.4Very high96 Ų9646.3 Ų46.350%0.50325%0.249SC..Hα-helixtrans-77.2-21175.4-64.2-178.5000113.1Y347 D348 T349Y347-L351 HydrophobicContact CD1-CD1 3.92Å; Y347-L351 HydrophobicContact CE1-CD1 3.42Å; Y347-L351 VanDerWaalsContact CE1-CD1 3.42Å; Y347-L351 HydrophobicContact CE1-CG 4.3Å; Y347-L351 WeakPolarHBondContact O-CG 3.49Å; Y347-L351 PolarHBondContact O-N 3.08Å; D348-L351 PolarHBondContact O-N 2.92Å; T349-L351 PolarHBondContact O-N 2.82Å
352Q93.9Very high95.7Very high117 Ų11738.4 Ų38.455%0.54721%0.207SC..Hα-helixtrans-82.3-15.7178.7-68.9169.9-0.100113.5D348 T349 V350 E354D348-Q352 WeakPolarHBondContact O-CG 3.5Å; D348-Q352 PolarHBondContact O-N 3.09Å; T349-Q352 WeakPolarHBondContact O-CB 3.27Å; T349-Q352 PolarHBondContact O-N 3.43Å; T349-Q352 VanDerWaalsContact O-N 3.09Å; V350-Q352 VanDerWaalsContact C-N 3.34Å; Q352-E354 PolarHBondContact O-N 2.82Å
353L97Very high95.9Very high0 Ų035.6 Ų35.60%019%0.194CC..  trans-77.887.6179.2-63.1168.6000110.5E334 I335 V338 T349 L356 D357 V457E334-L353 HydrophobicContact CG-CD2 3.84Å; I335-L353 HydrophobicContact CG1-CD1 4.32Å; I335-L353 HydrophobicContact CG1-CD2 4.22Å; V338-L353 HydrophobicContact CB-CD2 3.88Å; V338-L353 HydrophobicContact CG1-CD2 4.2Å; V338-L353 HydrophobicContact CG2-CD2 3.88Å; T349-L353 PolarHBondContact O-N 3.27Å; L353-L356 HydrophobicContact CB-CB 3.76Å; L353-L356 HydrophobicContact CB-CD2 4.2Å; L353-L356 HydrophobicContact CD1-CD2 3.72Å; L353-D357 PolarHBondContact O-N 3.05Å; L353-D357 VanDerWaalsContact O-N 3.09Å; L353-V457 HydrophobicContact CD1-CG2 3.37Å
354E97.3Very high96.1Very high90 Ų9034.2 Ų34.242%0.42118%0.183SC..Hα-helixtrans-69.3-45.8-174.4-69.7177.7-155.400112.2E334 Q352 D357 M358 K421E334-E354 PolarHBondContact OE1-N 2.95Å; E334-E354 VanDerWaalsContact OE1-N 3.08Å; Q352-E354 PolarHBondContact O-N 2.82Å; E354-D357 WeakPolarHBondContact O-CB 3.34Å; E354-D357 PolarHBondContact O-N 3.02Å; E354-D357 VanDerWaalsContact O-N 3.15Å; E354-M358 VanDerWaalsContact O-CG 3.3Å; E354-M358 WeakPolarHBondContact O-CG 3.49Å; E354-M358 PolarHBondContact O-N 3.14Å; E354-K421 VanDerWaalsContact OE1-CE 3.25Å; E354-K421 WeakPolarHBondContact OE1-CE 3.33Å; E354-K421 IonicContact OE1-NZ 2.87Å; E354-K421 PolarHBondContact OE1-NZ 3.43Å; E354-K421 WeakPolarHBondContact OE2-CD 3.4Å; E354-K421 WeakPolarHBondContact OE2-CE 3.27Å; E354-K421 IonicContact OE2-NZ 2.61Å; E354-K421 PolarHBondContact OE2-NZ 2.89Å
355Y98.6Very high96.4Very high18 Ų1829.6 Ų29.67%0.07115%0.152CC..Hα-helixtrans-69.7-35.9179.9-163.1-106.7000111.6V327 K330 V331 E334 D357 M358 V359 P416 E417V327-Y355 HydrophobicContact CG1-CE1 3.95Å; K330-Y355 HydrophobicContact CB-CD1 4.29Å; K330-Y355 HydrophobicContact CB-CE1 3.7Å; K330-Y355 HydrophobicContact CD-CD1 4.32Å; K330-Y355 HydrophobicContact CD-CD2 4.31Å; K330-Y355 HydrophobicContact CD-CE1 3.77Å; K330-Y355 HydrophobicContact CD-CE2 3.76Å; K330-Y355 VanDerWaalsContact CD-CZ 3.45Å; K330-Y355 HydrophobicContact CG-CD1 3.85Å; K330-Y355 HydrophobicContact CG-CE1 3.55Å; K330-Y355 HydrophobicContact CG-CE2 4.34Å; K330-Y355 HydrophobicContact CG-CG 4.35Å; V331-Y355 HydrophobicContact CB-CD1 3.83Å; V331-Y355 HydrophobicContact CB-CE1 4.22Å; V331-Y355 HydrophobicContact CG2-CD1 4.39Å; E334-Y355 VanDerWaalsContact CD-CB 3.49Å; E334-Y355 VanDerWaalsContact CD-N 3.35Å; E334-Y355 WeakPolarHBondContact OE1-CB 3.33Å; E334-Y355 PolarHBondContact OE1-N 3.18Å; E334-Y355 WeakPolarHBondContact OE2-CB 3.48Å; E334-Y355 PolarHBondContact OE2-N 3Å; Y355-D357 VanDerWaalsContact C-N 3.31Å; Y355-D357 PolarHBondContact O-N 3.23Å; Y355-M358 HydrophobicContact CD2-CE 3.76Å; Y355-M358 HydrophobicContact CD2-SD 3.87Å; Y355-M358 HydrophobicContact CE2-CE 3.9Å; Y355-M358 WeakPolarHBondContact O-CB 3.21Å; Y355-M358 PolarHBondContact O-N 2.74Å; Y355-V359 HydrophobicContact CD1-CG2 4.3Å; Y355-V359 HydrophobicContact CE1-CG2 4.09Å; Y355-V359 WeakPolarHBondContact O-CG2 3.11Å; Y355-V359 PolarHBondContact O-N 2.96Å; Y355-P416 HydrophobicContact CE2-CB 4.14Å; Y355-E417 VanDerWaalsContact CE2-OE1 3.31Å; Y355-E417 WeakPolarHBondContact CE2-OE1 3.47Å
356L98.7Very high96.6Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-60.5-40.2168.8-177.561.7000112V331 E334 L353 M358 V359 V360 K453 L456 V457V331-L356 HydrophobicContact CG2-CB 3.96Å; V331-L356 HydrophobicContact CG2-CD1 3.85Å; V331-L356 HydrophobicContact CG2-CG 4.5Å; E334-L356 PolarHBondContact OE2-N 3.42Å; L353-L356 HydrophobicContact CB-CB 3.76Å; L353-L356 HydrophobicContact CB-CD2 4.2Å; L353-L356 HydrophobicContact CD1-CD2 3.72Å; L356-M358 VanDerWaalsContact C-N 3.34Å; L356-V359 PolarHBondContact O-N 3.47Å; L356-V360 VanDerWaalsContact O-CG2 3.27Å; L356-V360 WeakPolarHBondContact O-CG2 3.29Å; L356-V360 PolarHBondContact O-N 3.36Å; L356-K453 HydrophobicContact CD2-CB 3.99Å; L356-K453 HydrophobicContact CD2-CD 4.47Å; L356-K453 HydrophobicContact CD2-CG 4.01Å; L356-K453 HydrophobicContact CG-CG 4.24Å; L356-L456 HydrophobicContact CD1-CB 4.04Å; L356-L456 HydrophobicContact CD1-CD1 3.94Å; L356-V457 HydrophobicContact CD2-CG2 3.72Å
357D98.5Very high96.8Very high53 Ų5327 Ų2728%0.28314%0.135SC..Hα-helixtrans-61.7-43.1174-166.469.1000111.8L353 E354 Y355 V359 V360 N361 K453L353-D357 PolarHBondContact O-N 3.05Å; L353-D357 VanDerWaalsContact O-N 3.09Å; E354-D357 WeakPolarHBondContact O-CB 3.34Å; E354-D357 PolarHBondContact O-N 3.02Å; E354-D357 VanDerWaalsContact O-N 3.15Å; Y355-D357 VanDerWaalsContact C-N 3.31Å; Y355-D357 PolarHBondContact O-N 3.23Å; D357-V359 PolarHBondContact O-N 2.82Å; D357-V360 PolarHBondContact O-N 2.9Å; D357-N361 WeakPolarHBondContact O-CB 3.44Å; D357-N361 PolarHBondContact O-N 3.44Å; D357-N361 PolarHBondContact O-ND2 3.34Å; D357-N361 VanDerWaalsContact O-ND2 3.11Å; D357-N361 PolarHBondContact OD2-ND2 2.89Å; D357-K453 VanDerWaalsContact OD1-CE 3.29Å; D357-K453 WeakPolarHBondContact OD1-CE 3.46Å; D357-K453 IonicContact OD1-NZ 3.44Å; D357-K453 PolarHBondContact OD1-NZ 3.47Å
358M98.7Very high97Very high15 Ų1526.2 Ų26.27%0.07413%0.132CC..Hα-helixtrans-59.7-44.8175.8-67.9163.75900112.1E354 Y355 L356 N361 E362 P416 E417 F419E354-M358 VanDerWaalsContact O-CG 3.3Å; E354-M358 WeakPolarHBondContact O-CG 3.49Å; E354-M358 PolarHBondContact O-N 3.14Å; Y355-M358 HydrophobicContact CD2-CE 3.76Å; Y355-M358 HydrophobicContact CD2-SD 3.87Å; Y355-M358 HydrophobicContact CE2-CE 3.9Å; Y355-M358 WeakPolarHBondContact O-CB 3.21Å; Y355-M358 PolarHBondContact O-N 2.74Å; L356-M358 VanDerWaalsContact C-N 3.34Å; M358-N361 PolarHBondContact O-N 3.21Å; M358-E362 WeakPolarHBondContact O-CB 3.45Å; M358-E362 PolarHBondContact O-N 3.1Å; M358-P416 HydrophobicContact CB-CB 4.01Å; M358-P416 HydrophobicContact CE-CB 4.44Å; M358-P416 VanDerWaalsContact CE-O 3.25Å; M358-P416 WeakPolarHBondContact CE-O 3.48Å; M358-E417 WeakPolarHBondContact CE-OE2 3.32Å; M358-F419 HydrophobicContact CB-CB 4.24Å; M358-F419 HydrophobicContact CG-CB 4.06Å; M358-F419 WeakPolarHBondContact CG-O 3.21Å
359V98.9Very high97Very high0 Ų023.1 Ų23.10%012%0.115CC..Hα-helixtrans-61-46.1176.3163.10000111.4I317 L321 V327 Y355 L356 D357 T363 F414 P416I317-V359 HydrophobicContact CG2-CG1 3.92Å; L321-V359 HydrophobicContact CD1-CG1 4.47Å; L321-V359 HydrophobicContact CD2-CG1 4Å; L321-V359 HydrophobicContact CD2-CG2 4.43Å; L321-V359 HydrophobicContact CG-CG1 4.4Å; V327-V359 HydrophobicContact CG1-CG2 3.81Å; Y355-V359 HydrophobicContact CD1-CG2 4.3Å; Y355-V359 HydrophobicContact CE1-CG2 4.09Å; Y355-V359 WeakPolarHBondContact O-CG2 3.11Å; Y355-V359 PolarHBondContact O-N 2.96Å; L356-V359 PolarHBondContact O-N 3.47Å; D357-V359 PolarHBondContact O-N 2.82Å; V359-T363 WeakPolarHBondContact O-CB 3.38Å; V359-T363 PolarHBondContact O-N 3.44Å; V359-T363 PolarHBondContact O-OG1 3.4Å; V359-F414 HydrophobicContact CG1-CZ 4.25Å; V359-P416 HydrophobicContact CG2-CB 4.25Å; V359-P416 HydrophobicContact CG2-CG 4.02Å
360V98.8Very high97Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-62.7-46.1178.6171.80000110.6I317 L356 D357 T363 L364 L449 M452 K453 L456I317-V360 HydrophobicContact CD1-CB 4.45Å; I317-V360 HydrophobicContact CD1-CG1 4.48Å; I317-V360 HydrophobicContact CD1-CG2 3.95Å; L356-V360 VanDerWaalsContact O-CG2 3.27Å; L356-V360 WeakPolarHBondContact O-CG2 3.29Å; L356-V360 PolarHBondContact O-N 3.36Å; D357-V360 PolarHBondContact O-N 2.9Å; V360-T363 PolarHBondContact O-N 3.32Å; V360-L364 HydrophobicContact CG1-CD1 4.03Å; V360-L364 WeakPolarHBondContact O-CG 3.26Å; V360-L364 PolarHBondContact O-N 3.49Å; V360-L449 HydrophobicContact CG1-CD2 3.75Å; V360-M452 HydrophobicContact CG1-CE 4.47Å; V360-K453 HydrophobicContact CG2-CG 4.22Å; V360-L456 HydrophobicContact CG2-CD1 3.9Å
361N98.8Very high97.1Very high25 Ų2524.5 Ų24.513%0.13413%0.128CC..Hα-helixtrans-67.1-43.6-178.8-74.6-39.4000112.7D357 M358 T363 L364 R365 F419 Y432D357-N361 WeakPolarHBondContact O-CB 3.44Å; D357-N361 PolarHBondContact O-N 3.44Å; D357-N361 PolarHBondContact O-ND2 3.34Å; D357-N361 VanDerWaalsContact O-ND2 3.11Å; D357-N361 PolarHBondContact OD2-ND2 2.89Å; M358-N361 PolarHBondContact O-N 3.21Å; N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.47Å; N361-L364 PolarHBondContact O-N 3.36Å; N361-L364 VanDerWaalsContact O-N 3.16Å; N361-R365 PolarHBondContact O-N 2.89Å; N361-F419 HydrophobicContact CB-CB 4.23Å; N361-F419 HydrophobicContact CB-CD1 3.55Å; N361-F419 HydrophobicContact CB-CD2 3.94Å; N361-F419 HydrophobicContact CB-CE1 3.79Å; N361-F419 HydrophobicContact CB-CE2 4.17Å; N361-F419 HydrophobicContact CB-CG 3.62Å; N361-F419 HydrophobicContact CB-CZ 4.1Å; N361-Y432 VanDerWaalsContact CA-OH 3.24Å; N361-Y432 WeakPolarHBondContact CA-OH 3.42Å; N361-Y432 WeakPolarHBondContact CB-OH 3.3Å; N361-Y432 PolarHBondContact O-OH 3.22Å; N361-Y432 PolarHBondContact OD1-OH 2.83Å
362E98.8Very high97.4Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-64.5-34.7176.8-179.764.6-17900111.7M358 R365 L366 F414 L415 R418 F419M358-E362 WeakPolarHBondContact O-CB 3.45Å; M358-E362 PolarHBondContact O-N 3.1Å; E362-R365 VanDerWaalsContact CD-NE 3.32Å; E362-R365 WeakPolarHBondContact O-CB 3.27Å; E362-R365 PolarHBondContact O-N 3.17Å; E362-R365 IonicContact OE1-CZ 2.68Å; E362-R365 IonicContact OE1-NE 3.22Å; E362-R365 PolarHBondContact OE1-NE 3.37Å; E362-R365 IonicContact OE1-NH2 2.93Å; E362-R365 PolarHBondContact OE1-NH2 2.98Å; E362-R365 WeakPolarHBondContact OE2-CD 3.47Å; E362-R365 IonicContact OE2-CZ 2.7Å; E362-R365 IonicContact OE2-NE 3.85Å; E362-R365 PolarHBondContact OE2-NE 3.01Å; E362-R365 IonicContact OE2-NH2 3.44Å; E362-L366 PolarHBondContact O-N 3.15Å; E362-L366 VanDerWaalsContact O-N 3.07Å; E362-F414 HydrophobicContact CB-CD2 4.24Å; E362-F414 HydrophobicContact CB-CE2 3.85Å; E362-F414 HydrophobicContact CG-CD2 3.44Å; E362-F414 VanDerWaalsContact CG-CD2 3.44Å; E362-F414 HydrophobicContact CG-CE2 3.58Å; E362-F414 HydrophobicContact CG-CG 4.29Å; E362-L415 PolarHBondContact OE1-N 2.99Å; E362-R418 IonicContact OE1-CZ 2.65Å; E362-R418 IonicContact OE1-NH1 3.54Å; E362-F419 HydrophobicContact CB-CD2 4.04Å; E362-F419 HydrophobicContact CB-CE2 4.18Å; E362-F419 VanDerWaalsContact OE2-CE2 3.29Å; E362-F419 WeakPolarHBondContact OE2-CE2 3.43Å
363T98.9Very high97.6Very high1 Ų116.7 Ų16.71%0.0069%0.088CC..Hα-helixtrans-66.6-42.1173.2-52.10000111.5F316 I317 V359 V360 N361 R365 L366 F367F316-T363 HydrophobicContact CB-CG2 3.72Å; I317-T363 HydrophobicContact CB-CG2 4.38Å; I317-T363 HydrophobicContact CG1-CG2 3.6Å; V359-T363 WeakPolarHBondContact O-CB 3.38Å; V359-T363 PolarHBondContact O-N 3.44Å; V359-T363 PolarHBondContact O-OG1 3.4Å; V360-T363 PolarHBondContact O-N 3.32Å; N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.47Å; T363-R365 PolarHBondContact O-N 2.87Å; T363-L366 PolarHBondContact O-N 3.09Å; T363-F367 HydrophobicContact CG2-CD2 3.83Å; T363-F367 HydrophobicContact CG2-CE2 4.49Å; T363-F367 WeakPolarHBondContact O-CD2 3.44Å; T363-F367 PolarHBondContact O-N 3.01Å
364L98.7Very high97.6Very high6 Ų618.8 Ų18.83%0.03110%0.098CC..Hα-helixtrans-67.2-24.9176.5-76.1170.3000113.1V313 V360 N361 P434 F435 L449V313-L364 HydrophobicContact CG1-CD2 3.94Å; V313-L364 HydrophobicContact CG1-CG 4.35Å; V313-L364 HydrophobicContact CG2-CD2 3.83Å; V360-L364 HydrophobicContact CG1-CD1 4.03Å; V360-L364 WeakPolarHBondContact O-CG 3.26Å; V360-L364 PolarHBondContact O-N 3.49Å; N361-L364 PolarHBondContact O-N 3.36Å; N361-L364 VanDerWaalsContact O-N 3.16Å; L364-P434 HydrophobicContact CB-CB 3.9Å; L364-P434 HydrophobicContact CB-CG 4.33Å; L364-P434 HydrophobicContact CD2-CB 4.45Å; L364-F435 HydrophobicContact CD1-CE2 3.52Å; L364-F435 HydrophobicContact CD1-CZ 3.87Å; L364-L449 HydrophobicContact CD1-CD2 4.34Å
365R98.7Very high97.7Very high0 Ų014.6 Ų14.60%08%0.079CC..Hα-helixtrans-69.7-49.4170.1-171.4-161.963.473.10.7111.2N361 E362 T363 F367 P368 H402 H403 W408 P411 K413 R418 F419 Y432N361-R365 PolarHBondContact O-N 2.89Å; E362-R365 VanDerWaalsContact CD-NE 3.32Å; E362-R365 WeakPolarHBondContact O-CB 3.27Å; E362-R365 PolarHBondContact O-N 3.17Å; E362-R365 IonicContact OE1-CZ 2.68Å; E362-R365 IonicContact OE1-NE 3.22Å; E362-R365 PolarHBondContact OE1-NE 3.37Å; E362-R365 IonicContact OE1-NH2 2.93Å; E362-R365 PolarHBondContact OE1-NH2 2.98Å; E362-R365 WeakPolarHBondContact OE2-CD 3.47Å; E362-R365 IonicContact OE2-CZ 2.7Å; E362-R365 IonicContact OE2-NE 3.85Å; E362-R365 PolarHBondContact OE2-NE 3.01Å; E362-R365 IonicContact OE2-NH2 3.44Å; T363-R365 PolarHBondContact O-N 2.87Å; R365-F367 VanDerWaalsContact C-N 3.34Å; R365-P368 WeakPolarHBondContact O-CD 3.49Å; R365-H402 HydrophobicContact CG-CB 3.88Å; R365-H402 PolarHBondContact NH1-O 3.08Å; R365-H402 WeakPolarHBondContact O-CB 3.36Å; R365-H402 PolarHBondContact O-ND1 3.22Å; R365-H403 PolarHBondContact O-CE1 3.36Å; R365-W408 VanDerWaalsContact CD-CE3 3.44Å; R365-W408 VanDerWaalsContact CD-CZ3 3.5Å; R365-W408 HydrophobicContact CG-CH2 4.13Å; R365-W408 HydrophobicContact CG-CZ2 4.07Å; R365-W408 HydrophobicContact CG-CZ3 4.39Å; R365-P411 VanDerWaalsContact CZ-O 3.25Å; R365-P411 PolarHBondContact NH1-O 2.93Å; R365-P411 PolarHBondContact NH2-O 3.31Å; R365-K413 PolarHBondContact NH2-O 3.13Å; R365-K413 VanDerWaalsContact NH2-O 3.13Å; R365-R418 VanDerWaalsContact NE-NH1 3.12Å; R365-F419 HydrophobicContact CB-CE2 4.26Å; R365-F419 HydrophobicContact CB-CZ 4.26Å; R365-Y432 HydrophobicContact CB-CD2 4.23Å; R365-Y432 HydrophobicContact CB-CE2 3.8Å; R365-Y432 HydrophobicContact CG-CD2 4.34Å; R365-Y432 HydrophobicContact CG-CE2 4.4Å
366L98.5Very high97.7Very high9 Ų915.2 Ų15.25%0.0478%0.084CC..Hα-helixtrans-68-35.8177.5-74.4176.7000112.5E362 T363 P368 H403 F414E362-L366 PolarHBondContact O-N 3.15Å; E362-L366 VanDerWaalsContact O-N 3.07Å; T363-L366 PolarHBondContact O-N 3.09Å; L366-P368 VanDerWaalsContact C-CD 3.44Å; L366-P368 WeakPolarHBondContact O-CD 3.2Å; L366-H403 PolarHBondContact O-CE1 3.35Å; L366-H403 PolarHBondContact O-NE2 2.78Å; L366-F414 HydrophobicContact CD1-CB 3.86Å; L366-F414 HydrophobicContact CD1-CD2 3.77Å; L366-F414 HydrophobicContact CD1-CG 4.3Å
367F97.8Very high97.7Very high17 Ų1715.2 Ų15.28%0.0758%0.084CC..  trans-127.963.7-172-51.4-72.4000113.1F316 E320 T363 R365 V369 L475 L477 L483F316-F367 HydrophobicContact CB-CB 4.39Å; F316-F367 HydrophobicContact CB-CD2 3.75Å; F316-F367 HydrophobicContact CB-CE2 4.27Å; F316-F367 HydrophobicContact CB-CG 4.14Å; F316-F367 HydrophobicContact CD1-CB 4.4Å; F316-F367 AromaticContact CD1-CD1 3.88Å; F316-F367 HydrophobicContact CD1-CD1 3.88Å; F316-F367 HydrophobicContact CD1-CD2 4.04Å; F316-F367 HydrophobicContact CD1-CE1 4.14Å; F316-F367 HydrophobicContact CD1-CE2 4.28Å; F316-F367 AromaticContact CD1-CG 3.83Å; F316-F367 HydrophobicContact CD1-CG 3.83Å; F316-F367 HydrophobicContact CD1-CZ 4.32Å; F316-F367 HydrophobicContact CD2-CB 3.74Å; F316-F367 HydrophobicContact CD2-CG 4.07Å; F316-F367 AromaticContact CE1-CD1 3.88Å; F316-F367 HydrophobicContact CE1-CD1 3.88Å; F316-F367 HydrophobicContact CE1-CE1 4.22Å; F316-F367 HydrophobicContact CE1-CG 4.19Å; F316-F367 HydrophobicContact CE2-CB 4.04Å; F316-F367 HydrophobicContact CE2-CG 4.43Å; F316-F367 HydrophobicContact CG-CB 3.95Å; F316-F367 HydrophobicContact CG-CD1 4.29Å; F316-F367 AromaticContact CG-CD2 3.9Å; F316-F367 HydrophobicContact CG-CD2 3.9Å; F316-F367 HydrophobicContact CG-CE2 4.49Å; F316-F367 AromaticContact CG-CG 3.77Å; F316-F367 HydrophobicContact CG-CG 3.77Å; F316-F367 HydrophobicContact CZ-CB 4.48Å; F316-F367 HydrophobicContact CZ-CD1 4.27Å; F316-F367 HydrophobicContact CZ-CG 4.48Å; E320-F367 HydrophobicContact CG-CE2 3.98Å; E320-F367 WeakPolarHBondContact OE1-CE2 3.44Å; E320-F367 VanDerWaalsContact OE1-CZ 3.29Å; E320-F367 WeakPolarHBondContact OE1-CZ 3.24Å; T363-F367 HydrophobicContact CG2-CD2 3.83Å; T363-F367 HydrophobicContact CG2-CE2 4.49Å; T363-F367 WeakPolarHBondContact O-CD2 3.44Å; T363-F367 PolarHBondContact O-N 3.01Å; R365-F367 VanDerWaalsContact C-N 3.34Å; F367-V369 PolarHBondContact O-N 2.94Å; F367-L475 HydrophobicContact CE1-CD2 4.32Å; F367-L475 HydrophobicContact CZ-CD2 4.4Å; F367-L477 HydrophobicContact CD1-CD2 4.19Å; F367-L477 HydrophobicContact CE1-CD2 4.16Å; F367-L483 VanDerWaalsContact CA-CD2 3.46Å; F367-L483 HydrophobicContact CB-CD2 3.85Å; F367-L483 HydrophobicContact CD1-CD2 4.09Å; F367-L483 HydrophobicContact CG-CD2 4.48Å
368P96.9Very high97.6Very high1 Ų116 Ų161%0.0069%0.085CC..  trans-69.2100.4173.528.8-33.4000109.3R365 L366 A370 M371 Y399R365-P368 WeakPolarHBondContact O-CD 3.49Å; L366-P368 VanDerWaalsContact C-CD 3.44Å; L366-P368 WeakPolarHBondContact O-CD 3.2Å; P368-A370 CarbonylContact O-C 3.44Å; P368-A370 PolarHBondContact O-N 3.44Å; P368-A370 VanDerWaalsContact O-N 3.12Å; P368-M371 PolarHBondContact O-N 2.97Å; P368-Y399 HydrophobicContact CG-CD2 4Å; P368-Y399 HydrophobicContact CG-CG 4.47Å
369V94Very high97.6Very high12 Ų1220.2 Ų20.27%0.07310%0.103CC..SBendtrans-52.8-38.9-176.5179.10000111.8T309 V313 F367 M371 L482 L483T309-V369 HydrophobicContact CG2-CG1 4.24Å; V313-V369 HydrophobicContact CG2-CG2 3.63Å; F367-V369 PolarHBondContact O-N 2.94Å; V369-M371 PolarHBondContact O-N 3.27Å; V369-L482 HydrophobicContact CG1-CB 4.32Å; V369-L482 HydrophobicContact CG1-CD2 4.29Å; V369-L483 PolarHBondContact O-N 3.11Å
370A93Very high97.6Very high46 Ų4624.7 Ų24.738%0.3813%0.127SC..SBendtrans-87.793.716500000110P368 R372P368-A370 CarbonylContact O-C 3.44Å; P368-A370 PolarHBondContact O-N 3.44Å; P368-A370 VanDerWaalsContact O-N 3.12Å; A370-R372 VanDerWaalsContact C-N 3.26Å; A370-R372 PolarHBondContact O-N 3.43Å
371M94.4Very high97.5Very high8 Ų826 Ų264%0.03914%0.135CC..  trans-65.6-27-172.6-60.3171.2-72.900114Y57 W58 P368 V369 S398 Y399 G481 L483Y57-M371 HydrophobicContact CD2-CE 4.1Å; W58-M371 HydrophobicContact CB-SD 4.22Å; W58-M371 HydrophobicContact CD2-SD 4.05Å; W58-M371 HydrophobicContact CE3-CE 4.3Å; W58-M371 HydrophobicContact CE3-SD 3.27Å; W58-M371 HydrophobicContact CG-SD 4.46Å; W58-M371 HydrophobicContact CZ3-SD 3.97Å; P368-M371 PolarHBondContact O-N 2.97Å; V369-M371 PolarHBondContact O-N 3.27Å; M371-S398 PolarHBondContact O-N 3.4Å; M371-S398 VanDerWaalsContact O-N 3.14Å; M371-Y399 PolarHBondContact O-N 3.02Å; M371-Y399 VanDerWaalsContact O-N 3.08Å; M371-G481 VanDerWaalsContact CE-O 3.29Å; M371-G481 WeakPolarHBondContact CE-O 3.39Å; M371-L483 HydrophobicContact CG-CB 4.19Å; M371-L483 HydrophobicContact CG-CD1 3.93Å; M371-L483 HydrophobicContact SD-CB 4.43Å; M371-L483 HydrophobicContact SD-CD1 3.67Å
372R96.3Very high97.5Very high30 Ų3031.2 Ų31.211%0.11316%0.158CC..  trans-132.8150.1-179.4-63.9174.3-178.6173.22110.4Y57 D61 A370 M395 I396Y57-R372 VanDerWaalsContact CD1-NH1 3.33Å; Y57-R372 PolarHBondContact O-NH2 3.41Å; Y57-R372 VanDerWaalsContact O-NH2 3.11Å; D61-R372 IonicContact OD1-CZ 2.69Å; D61-R372 VanDerWaalsContact OD1-CZ 3.26Å; D61-R372 IonicContact OD1-NE 2.89Å; D61-R372 PolarHBondContact OD1-NE 2.76Å; D61-R372 IonicContact OD1-NH2 3.2Å; D61-R372 PolarHBondContact OD1-NH2 2.96Å; D61-R372 IonicContact OD2-CZ 3.61Å; D61-R372 IonicContact OD2-NE 2.67Å; D61-R372 PolarHBondContact OD2-NE 3.15Å; D61-R372 IonicContact OD2-NH2 3.67Å; D61-R372 PolarHBondContact OD2-NH2 3.08Å; A370-R372 VanDerWaalsContact C-N 3.26Å; A370-R372 PolarHBondContact O-N 3.43Å; R372-M395 HydrophobicContact CB-CG 4.12Å; R372-M395 HydrophobicContact CB-SD 4.31Å; R372-M395 HydrophobicContact CG-CG 4.12Å; R372-M395 HydrophobicContact CG-SD 3.86Å; R372-I396 CarbonylContact C-O 3.58Å; R372-I396 WeakPolarHBondContact CA-O 3.21Å
373L98Very high97.2Very high20 Ų2031.4 Ų31.411%0.10516%0.159CC..EExtended strand (participates in β ladder)trans-109.7138.9163-49.1169.7000108.5L94 M395 I396 T433L94-L373 HydrophobicContact CD1-CD1 3.97Å; L373-M395 CarbonylContact O-C 3.2Å; L373-M395 WeakPolarHBondContact O-CA 3.49Å; L373-I396 HydrophobicContact CB-CB 4.14Å; L373-I396 HydrophobicContact CB-CD1 4.21Å; L373-I396 HydrophobicContact CD1-CB 4.48Å; L373-I396 PolarHBondContact N-O 3.48Å; L373-I396 PolarHBondContact O-N 3.29Å; L373-T433 HydrophobicContact CD1-CG2 4.47Å
374E98.1Very high96.8Very high43 Ų4336 Ų3620%0.20118%0.184CC..EExtended strand (participates in β ladder)trans-129.9141.2-175.7-64.6-178174.200111.2M81 R106 V393 V394 M395M81-E374 HydrophobicContact CE-CG 4.41Å; M81-E374 WeakPolarHBondContact CE-OE1 3.37Å; R106-E374 WeakPolarHBondContact CB-OE2 3.48Å; E374-V393 HydrophobicContact CB-CG1 3.95Å; E374-V393 HydrophobicContact CG-CG1 4.19Å; E374-V394 CarbonylContact C-O 3.56Å; E374-V394 WeakPolarHBondContact CA-O 3.23Å; E374-M395 HydrophobicContact CG-CG 4.31Å
375R98.6Very high96.5Very high3 Ų338.7 Ų38.71%0.01121%0.213CC..EExtended strand (participates in β ladder)trans-136.7139.6170.3-64.1-61-176.7-83.8-7.6111V93 L94 F102 N104 V393 V394V93-R375 HydrophobicContact CG1-CB 4.17Å; V93-R375 HydrophobicContact CG1-CG 4.12Å; L94-R375 HydrophobicContact CD2-CG 4.14Å; F102-R375 HydrophobicContact CB-CB 3.84Å; F102-R375 HydrophobicContact CB-CG 4.13Å; F102-R375 HydrophobicContact CD1-CB 4.06Å; F102-R375 HydrophobicContact CG-CB 4.35Å; F102-R375 VanDerWaalsContact O-CD 3.31Å; F102-R375 WeakPolarHBondContact O-CD 3.46Å; N104-R375 CarbonylContact O-C 3.59Å; N104-R375 VanDerWaalsContact O-CA 3.27Å; N104-R375 WeakPolarHBondContact O-CA 3.39Å; R375-V393 CarbonylContact O-C 3.45Å; R375-V393 WeakPolarHBondContact O-CA 3.5Å; R375-V394 PolarHBondContact N-O 3.41Å; R375-V394 PolarHBondContact O-N 2.86Å
376V98.6Very high96.3Very high31 Ų3140.7 Ų40.719%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-86.7129.4173.4-176.10000109N104 R105 R106 K378 V393N104-V376 PolarHBondContact O-N 3.04Å; R105-V376 WeakPolarHBondContact O-CG2 3.42Å; R106-V376 HydrophobicContact CB-CG2 4.48Å; V376-K378 PolarHBondContact O-N 3.48Å; V376-V393 HydrophobicContact CG2-CG2 4.23Å
377C98.5Very high96.2Very high0 Ų044.6 Ų44.60%024%0.24CC..  trans-74.7109.1171.1-1670000109.7F102 K379 I388 K390 G391 V392F102-C377 HydrophobicContact CD1-CB 4.36Å; F102-C377 HydrophobicContact CE1-CB 3.72Å; C377-K379 PolarHBondContact SG-O 2.9Å; C377-I388 HydrophobicContact CB-CG2 3.97Å; C377-K390 CarbonylContact O-C 3.25Å; C377-K390 WeakPolarHBondContact O-CA 3.41Å; C377-G391 PolarHBondContact O-N 3.12Å; C377-V392 VanDerWaalsContact CB-O 3.27Å; C377-V392 WeakPolarHBondContact CB-O 3.47Å; C377-V392 PolarHBondContact N-O 3.16Å
378K97.7Very high96.3Very high70 Ų7043.8 Ų43.830%0.30424%0.236SC..  trans-84.6-14.1-174.880-167.5173.3-176.50115.1Y99 S100 V101 T103 D123 V376 K390Y99-K378 PolarHBondContact O-NZ 3.08Å; S100-K378 WeakPolarHBondContact O-CE 3.41Å; S100-K378 PolarHBondContact O-NZ 3Å; V101-K378 WeakPolarHBondContact O-CD 3.3Å; V101-K378 WeakPolarHBondContact O-CG 3.4Å; V101-K378 PolarHBondContact O-N 3.16Å; V101-K378 VanDerWaalsContact O-N 3.09Å; T103-K378 PolarHBondContact OG1-NZ 3.41Å; D123-K378 IonicContact OD1-NZ 3.9Å; V376-K378 PolarHBondContact O-N 3.48Å; K378-K390 VanDerWaalsContact O-CD 3.3Å; K378-K390 WeakPolarHBondContact O-CD 3.25Å; K378-K390 VanDerWaalsContact O-CE 3.29Å; K378-K390 WeakPolarHBondContact O-CE 2.75Å; K378-K390 WeakPolarHBondContact O-CG 3.41Å
379K97.7Very high96.3Very high103 Ų10344.6 Ų44.645%0.44824%0.242SC..SBendtrans-149.7151.9178.761.3179.4-176.8177.90109.7S100 V101 C377 V381S100-K379 VanDerWaalsContact O-CE 3.25Å; S100-K379 WeakPolarHBondContact O-CE 3.31Å; V101-K379 HydrophobicContact CG1-CG 4.19Å; V101-K379 HydrophobicContact CG2-CD 4.3Å; V101-K379 HydrophobicContact CG2-CG 4.04Å; C377-K379 PolarHBondContact SG-O 2.9Å; K379-V381 PolarHBondContact O-N 3.15Å
380D98.4Very high96.5Very high94 Ų9450.9 Ų50.950%0.50327%0.268SS..  trans-56.6133.3174.2-68.77.5000109.7F387 K390D380-F387 HydrophobicContact CB-CE2 3.91Å; D380-F387 HydrophobicContact CB-CZ 3.85Å; D380-K390 VanDerWaalsContact OD1-CB 3.23Å; D380-K390 WeakPolarHBondContact OD1-CB 3.43Å; D380-K390 PolarHBondContact OD1-N 2.95Å
381V98.3Very high96.7Very high27 Ų2750.2 Ų50.216%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-149150.7-177.768.20000110.3V101 F102 K379 I383 I388V101-V381 HydrophobicContact CG1-CB 4.45Å; V101-V381 HydrophobicContact CG1-CG1 4.04Å; V101-V381 HydrophobicContact CG2-CB 4.44Å; V101-V381 HydrophobicContact CG2-CG2 4.29Å; F102-V381 HydrophobicContact CE2-CG1 4.35Å; F102-V381 HydrophobicContact CZ-CG1 3.9Å; K379-V381 PolarHBondContact O-N 3.15Å; V381-I383 HydrophobicContact CG1-CD1 4.01Å; V381-I383 HydrophobicContact CG1-CG1 4.08Å; V381-I383 HydrophobicContact CG2-CG1 4.06Å; V381-I388 HydrophobicContact CG1-CB 4.1Å; V381-I388 PolarHBondContact N-O 3.43Å; V381-I388 VanDerWaalsContact N-O 3.15Å; V381-I388 PolarHBondContact O-N 2.76Å
382E97.3Very high96.9Very high134 Ų13449.9 Ų49.963%0.62626%0.264SS*.EExtended strand (participates in β ladder)trans-108.4127.5167.7-168.8178.7162.900109.4G385 M386E382-G385 WeakPolarHBondContact OE1-CA 3.4Å; E382-M386 WeakPolarHBondContact CA-O 3.5Å
383I94.1Very high97Very high5 Ų548.5 Ų48.53%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-129.2121.7-179.9-58176000108.1M89 T92 V93 F102 V381 G385 M386 I388M89-I383 HydrophobicContact CG-CG2 3.95Å; T92-I383 HydrophobicContact CG2-CD1 4.32Å; T92-I383 HydrophobicContact CG2-CG1 4.41Å; T92-I383 HydrophobicContact CG2-CG2 3.73Å; V93-I383 HydrophobicContact CG2-CD1 3.96Å; F102-I383 HydrophobicContact CE2-CD1 3.37Å; F102-I383 HydrophobicContact CZ-CD1 3.52Å; V381-I383 HydrophobicContact CG1-CD1 4.01Å; V381-I383 HydrophobicContact CG1-CG1 4.08Å; V381-I383 HydrophobicContact CG2-CG1 4.06Å; I383-G385 PolarHBondContact O-N 2.69Å; I383-M386 PolarHBondContact N-O 3.09Å; I383-M386 WeakPolarHBondContact O-CB 3.26Å; I383-M386 PolarHBondContact O-N 2.72Å; I383-I388 HydrophobicContact CD1-CD1 3.91Å; I383-I388 HydrophobicContact CG1-CD1 4.47Å
384N90.2Very high97.1Very high97 Ų9747.5 Ų47.552%0.51925%0.254SS..THydrogen-bonded Turntrans50.641.5178.6-6238.8000112.7M89 M386M89-N384 HydrophobicContact CE-CB 4.03Å; N384-M386 VanDerWaalsContact C-N 3.3Å; N384-M386 PolarHBondContact O-N 2.89Å
385G90.8Very high97.1Very high63 Ų6345.5 Ų45.565%0.64924%0.244SC*.THydrogen-bonded Turntrans77.49.2-178.700000115.1E382 I383E382-G385 WeakPolarHBondContact OE1-CA 3.4Å; I383-G385 PolarHBondContact O-N 2.69Å
386M95.1Very high97.1Very high42 Ų4245.3 Ų45.321%0.20724%0.243CC..EExtended strand (participates in β ladder)trans-113.9121.1178.6-175.3170.7-61.200111.3V71 L82 M89 E382 I383 N384V71-M386 HydrophobicContact CB-CE 4.09Å; V71-M386 HydrophobicContact CG1-CE 3.83Å; V71-M386 HydrophobicContact CG1-SD 3.85Å; V71-M386 HydrophobicContact CG2-CE 3.75Å; V71-M386 HydrophobicContact CG2-SD 4.39Å; L82-M386 HydrophobicContact CD2-SD 4.03Å; M89-M386 HydrophobicContact CE-CB 3.98Å; M89-M386 HydrophobicContact CE-CE 4.23Å; M89-M386 HydrophobicContact CE-SD 4.17Å; M89-M386 HydrophobicContact SD-SD 4.32Å; E382-M386 WeakPolarHBondContact CA-O 3.5Å; I383-M386 PolarHBondContact N-O 3.09Å; I383-M386 WeakPolarHBondContact O-CB 3.26Å; I383-M386 PolarHBondContact O-N 2.72Å; N384-M386 VanDerWaalsContact C-N 3.3Å; N384-M386 PolarHBondContact O-N 2.89Å
387F97.8Very high97Very high91 Ų9143.9 Ų43.940%0.39923%0.234SC..EExtended strand (participates in β ladder)trans-77.5125.6174.4-176.9-104.2000111.5L36 D380 P389L36-F387 HydrophobicContact CD2-CD1 3.91Å; D380-F387 HydrophobicContact CB-CE2 3.91Å; D380-F387 HydrophobicContact CB-CZ 3.85Å; F387-P389 HydrophobicContact CD1-CG 4.09Å; F387-P389 HydrophobicContact CE1-CB 4.22Å; F387-P389 HydrophobicContact CE1-CG 3.79Å
388I98.3Very high97Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-118.4107.4177.8-51.9-179.4000108.6L82 F102 C377 V381 I383 V392 V394L82-I388 HydrophobicContact CD2-CD1 4Å; L82-I388 HydrophobicContact CD2-CG1 3.87Å; L82-I388 HydrophobicContact CD2-CG2 4.35Å; F102-I388 HydrophobicContact CZ-CD1 4.35Å; C377-I388 HydrophobicContact CB-CG2 3.97Å; V381-I388 HydrophobicContact CG1-CB 4.1Å; V381-I388 PolarHBondContact N-O 3.43Å; V381-I388 VanDerWaalsContact N-O 3.15Å; V381-I388 PolarHBondContact O-N 2.76Å; I383-I388 HydrophobicContact CD1-CD1 3.91Å; I383-I388 HydrophobicContact CG1-CD1 4.47Å; I388-V392 HydrophobicContact CG2-CB 4.25Å; I388-V392 HydrophobicContact CG2-CG1 4.38Å; I388-V394 HydrophobicContact CD1-CG2 4.1Å; I388-V394 HydrophobicContact CG2-CG2 3.96Å
389P98.2Very high97Very high18 Ų1841.6 Ų41.612%0.11722%0.224CC..  trans-65.1152.6177.4-15.624.3000113.2L32 L36 F387 V392L32-P389 HydrophobicContact CD1-CG 4.09Å; L32-P389 HydrophobicContact CD2-CG 4.45Å; L36-P389 HydrophobicContact CD1-CG 3.8Å; F387-P389 HydrophobicContact CD1-CG 4.09Å; F387-P389 HydrophobicContact CE1-CB 4.22Å; F387-P389 HydrophobicContact CE1-CG 3.79Å; P389-V392 HydrophobicContact CB-CG2 4.14Å; P389-V392 HydrophobicContact CG-CG2 4.21Å; P389-V392 WeakPolarHBondContact O-CB 3.47Å; P389-V392 WeakPolarHBondContact O-CG2 3.23Å; P389-V392 PolarHBondContact O-N 3Å
390K98.4Very high97Very high144 Ų14436.7 Ų36.763%0.62620%0.203SC*.THydrogen-bonded Turntrans-53.8139.7168.4177174.7-179.5-177.80111C377 K378 D380 V392C377-K390 CarbonylContact O-C 3.25Å; C377-K390 WeakPolarHBondContact O-CA 3.41Å; K378-K390 VanDerWaalsContact O-CD 3.3Å; K378-K390 WeakPolarHBondContact O-CD 3.25Å; K378-K390 VanDerWaalsContact O-CE 3.29Å; K378-K390 WeakPolarHBondContact O-CE 2.75Å; K378-K390 WeakPolarHBondContact O-CG 3.41Å; D380-K390 VanDerWaalsContact OD1-CB 3.23Å; D380-K390 WeakPolarHBondContact OD1-CB 3.43Å; D380-K390 PolarHBondContact OD1-N 2.95Å; K390-V392 VanDerWaalsContact C-N 3.27Å; K390-V392 PolarHBondContact O-N 3.28Å
391G97.1Very high97Very high32 Ų3232.2 Ų32.233%0.3318%0.179SC..THydrogen-bonded Turntrans85.4-12.6178.400000114.3Q79 C377Q79-G391 PolarHBondContact NE2-O 3.38Å; C377-G391 PolarHBondContact O-N 3.12Å
392V98.2Very high97Very high1 Ų130.9 Ų30.91%0.00617%0.171CC..  trans-68.4135.5173.6176.40000110L32 F33 P80 L82 C377 I388 P389 K390L32-V392 HydrophobicContact CD2-CG2 3.72Å; F33-V392 HydrophobicContact CZ-CG1 4.43Å; P80-V392 HydrophobicContact CB-CG2 4.26Å; P80-V392 HydrophobicContact CG-CG2 4.02Å; L82-V392 HydrophobicContact CB-CG1 3.75Å; C377-V392 VanDerWaalsContact CB-O 3.27Å; C377-V392 WeakPolarHBondContact CB-O 3.47Å; C377-V392 PolarHBondContact N-O 3.16Å; I388-V392 HydrophobicContact CG2-CB 4.25Å; I388-V392 HydrophobicContact CG2-CG1 4.38Å; P389-V392 HydrophobicContact CB-CG2 4.14Å; P389-V392 HydrophobicContact CG-CG2 4.21Å; P389-V392 WeakPolarHBondContact O-CB 3.47Å; P389-V392 WeakPolarHBondContact O-CG2 3.23Å; P389-V392 PolarHBondContact O-N 3Å; K390-V392 VanDerWaalsContact C-N 3.27Å; K390-V392 PolarHBondContact O-N 3.28Å
393V98.5Very high97.1Very high0 Ų024.7 Ų24.70%014%0.142CC..EExtended strand (participates in β ladder)trans-86.8114.4171.3175.10000108.4Q79 P80 M81 L82 R106 E374 R375 V376Q79-V393 HydrophobicContact CG-CG2 3.93Å; P80-V393 PolarHBondContact O-N 3.01Å; M81-V393 CarbonylContact C-O 3.48Å; M81-V393 WeakPolarHBondContact CA-O 3.36Å; M81-V393 HydrophobicContact CB-CB 4.43Å; M81-V393 HydrophobicContact CE-CG1 4.03Å; M81-V393 HydrophobicContact CG-CB 4.11Å; L82-V393 PolarHBondContact N-O 3.48Å; R106-V393 HydrophobicContact CB-CG1 4.47Å; R106-V393 HydrophobicContact CB-CG2 4.13Å; R106-V393 HydrophobicContact CG-CG2 3.89Å; E374-V393 HydrophobicContact CB-CG1 3.95Å; E374-V393 HydrophobicContact CG-CG1 4.19Å; R375-V393 CarbonylContact O-C 3.45Å; R375-V393 WeakPolarHBondContact O-CA 3.5Å; V376-V393 HydrophobicContact CG2-CG2 4.23Å
394V98.6Very high97.2Very high0 Ų024.9 Ų24.90%014%0.143CC..EExtended strand (participates in β ladder)trans-80.2125.4169.8-176.30000108.8L82 I84 V93 F102 E374 R375 I388L82-V394 CarbonylContact O-C 3.54Å; L82-V394 WeakPolarHBondContact O-CA 3.26Å; I84-V394 HydrophobicContact CD1-CG1 3.55Å; I84-V394 HydrophobicContact CG1-CG1 3.81Å; I84-V394 HydrophobicContact CG2-CG1 4.24Å; V93-V394 HydrophobicContact CG1-CB 4.3Å; V93-V394 HydrophobicContact CG1-CG1 4.04Å; V93-V394 HydrophobicContact CG2-CG1 4.15Å; F102-V394 HydrophobicContact CD1-CG2 4.25Å; F102-V394 HydrophobicContact CE1-CB 4.37Å; F102-V394 HydrophobicContact CE1-CG2 3.57Å; F102-V394 HydrophobicContact CZ-CG2 4.34Å; E374-V394 CarbonylContact C-O 3.56Å; E374-V394 WeakPolarHBondContact CA-O 3.23Å; R375-V394 PolarHBondContact N-O 3.41Å; R375-V394 PolarHBondContact O-N 2.86Å; I388-V394 HydrophobicContact CD1-CG2 4.1Å; I388-V394 HydrophobicContact CG2-CG2 3.96Å
395M98.1Very high97.5Very high0 Ų024.9 Ų24.90%015%0.148CC..EExtended strand (participates in β ladder)trans-117.9130.9-174.7-176.5-85.3-78.400109.9W72 M81 L82 A83 I84 R372 L373 E374 P397W72-M395 HydrophobicContact CZ2-CE 4.23Å; M81-M395 HydrophobicContact CE-CB 4.25Å; M81-M395 HydrophobicContact CE-CG 4.26Å; L82-M395 PolarHBondContact O-N 3.24Å; A83-M395 CarbonylContact C-O 3.47Å; A83-M395 VanDerWaalsContact CA-O 3.3Å; A83-M395 WeakPolarHBondContact CA-O 3.29Å; A83-M395 HydrophobicContact CB-CE 3.52Å; A83-M395 HydrophobicContact CB-SD 4.38Å; I84-M395 PolarHBondContact N-O 3.06Å; R372-M395 HydrophobicContact CB-CG 4.12Å; R372-M395 HydrophobicContact CB-SD 4.31Å; R372-M395 HydrophobicContact CG-CG 4.12Å; R372-M395 HydrophobicContact CG-SD 3.86Å; L373-M395 CarbonylContact O-C 3.2Å; L373-M395 WeakPolarHBondContact O-CA 3.49Å; E374-M395 HydrophobicContact CG-CG 4.31Å; M395-P397 HydrophobicContact CE-CB 4.28Å; M395-P397 HydrophobicContact SD-CB 3.67Å; M395-P397 HydrophobicContact SD-CG 4.2Å
396I98.6Very high97.8Very high0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-108.2112.6173.6-55.880000106.9I84 I90 L94 R372 L373 S398 L401I84-I396 HydrophobicContact CD1-CG1 4.36Å; I84-I396 HydrophobicContact CG1-CG1 4.15Å; I90-I396 HydrophobicContact CD1-CG2 3.8Å; I90-I396 HydrophobicContact CG1-CG1 4.02Å; I90-I396 HydrophobicContact CG1-CG2 4.05Å; I90-I396 HydrophobicContact CG2-CG1 4.17Å; I90-I396 HydrophobicContact CG2-CG2 4.29Å; L94-I396 HydrophobicContact CD1-CG1 4.49Å; L94-I396 HydrophobicContact CD2-CD1 3.85Å; L94-I396 HydrophobicContact CG-CD1 4.28Å; R372-I396 CarbonylContact C-O 3.58Å; R372-I396 WeakPolarHBondContact CA-O 3.21Å; L373-I396 HydrophobicContact CB-CB 4.14Å; L373-I396 HydrophobicContact CB-CD1 4.21Å; L373-I396 HydrophobicContact CD1-CB 4.48Å; L373-I396 PolarHBondContact N-O 3.48Å; L373-I396 PolarHBondContact O-N 3.29Å; I396-S398 VanDerWaalsContact C-N 3.34Å; I396-S398 PolarHBondContact O-N 3.41Å; I396-L401 HydrophobicContact CG2-CD1 3.76Å
397P97.9Very high97.8Very high0 Ų029.5 Ų29.50%015%0.148CC..  trans-83.876-174.733.2-32.9000110.3D61 W72 I84 T85 M395 Y399 V400 L401D61-P397 HydrophobicContact CB-CB 4.38Å; W72-P397 HydrophobicContact CH2-CB 4.3Å; W72-P397 HydrophobicContact CH2-CG 3.68Å; W72-P397 HydrophobicContact CZ2-CG 4.28Å; I84-P397 VanDerWaalsContact O-CD 3.23Å; I84-P397 WeakPolarHBondContact O-CD 3.44Å; T85-P397 HydrophobicContact CG2-CG 3.87Å; M395-P397 HydrophobicContact CE-CB 4.28Å; M395-P397 HydrophobicContact SD-CB 3.67Å; M395-P397 HydrophobicContact SD-CG 4.2Å; P397-Y399 VanDerWaalsContact C-N 3.28Å; P397-Y399 PolarHBondContact O-N 2.81Å; P397-V400 HydrophobicContact CB-CB 3.94Å; P397-V400 HydrophobicContact CB-CG2 3.86Å; P397-V400 HydrophobicContact CG-CB 4.2Å; P397-V400 HydrophobicContact CG-CG2 4.49Å; P397-V400 WeakPolarHBondContact O-CB 3.5Å; P397-V400 PolarHBondContact O-N 2.82Å; P397-L401 PolarHBondContact O-N 3.16Å
398S98.3Very high97.8Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-48.7-47-177.8-60.90000112.7M371 I396 V400 L401 H402 T433M371-S398 PolarHBondContact O-N 3.4Å; M371-S398 VanDerWaalsContact O-N 3.14Å; I396-S398 VanDerWaalsContact C-N 3.34Å; I396-S398 PolarHBondContact O-N 3.41Å; S398-V400 VanDerWaalsContact C-N 3.29Å; S398-V400 PolarHBondContact O-N 2.84Å; S398-L401 PolarHBondContact O-N 2.97Å; S398-H402 WeakPolarHBondContact O-CB 3.46Å; S398-H402 PolarHBondContact O-CD2 3.35Å; S398-H402 PolarHBondContact O-N 3.38Å; S398-T433 PolarHBondContact OG-OG1 3.42Å; S398-T433 VanDerWaalsContact OG-OG1 3.09Å
399Y97.8Very high97.8Very high22 Ų2231.3 Ų31.39%0.08617%0.165CC..Hα-helixtrans-57.2-43.5179-172.1-78.7000112W58 M62 P368 M371 P397 H402 H403 L477 L483W58-Y399 HydrophobicContact CB-CD1 3.66Å; W58-Y399 HydrophobicContact CB-CD2 4.03Å; W58-Y399 HydrophobicContact CB-CE1 4.07Å; W58-Y399 HydrophobicContact CB-CE2 4.39Å; W58-Y399 HydrophobicContact CB-CG 3.65Å; W58-Y399 AromaticContact CD1-CE1 3.77Å; W58-Y399 AromaticContact CD1-CZ 3.7Å; W58-Y399 HydrophobicContact CG-CD1 4.34Å; W58-Y399 HydrophobicContact CG-CD2 4.44Å; W58-Y399 HydrophobicContact CG-CE1 4.27Å; W58-Y399 HydrophobicContact CG-CE2 4.35Å; W58-Y399 HydrophobicContact CG-CG 4.44Å; M62-Y399 HydrophobicContact CG-CD1 4.23Å; M62-Y399 HydrophobicContact CG-CE1 4.27Å; M62-Y399 HydrophobicContact SD-CD1 4.41Å; P368-Y399 HydrophobicContact CG-CD2 4Å; P368-Y399 HydrophobicContact CG-CG 4.47Å; M371-Y399 PolarHBondContact O-N 3.02Å; M371-Y399 VanDerWaalsContact O-N 3.08Å; P397-Y399 VanDerWaalsContact C-N 3.28Å; P397-Y399 PolarHBondContact O-N 2.81Å; Y399-H402 PolarHBondContact O-N 3.23Å; Y399-H403 AromaticContact CD1-ND1 3.82Å; Y399-H403 AromaticContact CE1-CE1 3.91Å; Y399-H403 AromaticContact CE1-ND1 3.7Å; Y399-H403 AromaticContact CE2-CE1 3.76Å; Y399-H403 AromaticContact CZ-CE1 3.64Å; Y399-H403 AromaticContact CZ-ND1 3.93Å; Y399-H403 PolarHBondContact O-N 3.27Å; Y399-H403 PolarHBondContact O-ND1 3.38Å; Y399-L477 HydrophobicContact CE2-CD1 4.15Å; Y399-L483 HydrophobicContact CD2-CD1 4.26Å; Y399-L483 HydrophobicContact CD2-CD2 4.26Å; Y399-L483 HydrophobicContact CE2-CD1 4.12Å; Y399-L483 HydrophobicContact CE2-CD2 4.12Å
400V97.8Very high97.7Very high0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-64-49.8177.7175.20000110.9D61 M62 Y65 P397 S398 H402 H403 D404D61-V400 HydrophobicContact CB-CG2 3.42Å; D61-V400 VanDerWaalsContact CB-CG2 3.42Å; M62-V400 HydrophobicContact CG-CG2 4.08Å; M62-V400 HydrophobicContact SD-CB 4Å; M62-V400 HydrophobicContact SD-CG1 4.05Å; M62-V400 HydrophobicContact SD-CG2 3.77Å; Y65-V400 VanDerWaalsContact CB-CG1 3.5Å; Y65-V400 HydrophobicContact CD1-CG1 3.32Å; Y65-V400 HydrophobicContact CD2-CG1 4.04Å; Y65-V400 HydrophobicContact CE1-CG1 4.03Å; Y65-V400 HydrophobicContact CG-CG1 3.33Å; P397-V400 HydrophobicContact CB-CB 3.94Å; P397-V400 HydrophobicContact CB-CG2 3.86Å; P397-V400 HydrophobicContact CG-CB 4.2Å; P397-V400 HydrophobicContact CG-CG2 4.49Å; P397-V400 WeakPolarHBondContact O-CB 3.5Å; P397-V400 PolarHBondContact O-N 2.82Å; S398-V400 VanDerWaalsContact C-N 3.29Å; S398-V400 PolarHBondContact O-N 2.84Å; V400-H402 PolarHBondContact O-N 3.11Å; V400-H403 CarbonylContact O-C 3.25Å; V400-H403 PolarHBondContact O-N 3.11Å; V400-H403 VanDerWaalsContact O-N 3.08Å; V400-D404 PolarHBondContact O-N 2.82Å
401L98.4Very high97.7Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-61.5-33.2-179.2-68.4179.8000112.1T85 I90 I396 P397 S398 H403 Y407 W408 I431T85-L401 HydrophobicContact CG2-CD2 3.87Å; I90-L401 HydrophobicContact CD1-CD1 3.71Å; I396-L401 HydrophobicContact CG2-CD1 3.76Å; P397-L401 PolarHBondContact O-N 3.16Å; S398-L401 PolarHBondContact O-N 2.97Å; L401-H403 VanDerWaalsContact C-N 3.33Å; L401-Y407 HydrophobicContact CD2-CE2 4.48Å; L401-W408 PolarHBondContact O-NE1 3.09Å; L401-I431 HydrophobicContact CB-CG2 4.28Å; L401-I431 HydrophobicContact CD1-CD1 4.29Å; L401-I431 HydrophobicContact CD2-CD1 3.94Å
402H98.6Very high97.8Very high0 Ų033.4 Ų33.40%017%0.169CC..Hα-helixtrans-74.8-21177.9-69.6-168.6000113.6R365 S398 Y399 V400 W408 I431 Y432 T433R365-H402 HydrophobicContact CG-CB 3.88Å; R365-H402 PolarHBondContact NH1-O 3.08Å; R365-H402 WeakPolarHBondContact O-CB 3.36Å; R365-H402 PolarHBondContact O-ND1 3.22Å; S398-H402 WeakPolarHBondContact O-CB 3.46Å; S398-H402 PolarHBondContact O-CD2 3.35Å; S398-H402 PolarHBondContact O-N 3.38Å; Y399-H402 PolarHBondContact O-N 3.23Å; V400-H402 PolarHBondContact O-N 3.11Å; H402-W408 PolarHBondContact O-NE1 3.12Å; H402-I431 PolarHBondContact CD2-O 3.2Å; H402-I431 PolarHBondContact NE2-O 2.9Å; H402-Y432 AromaticContact NE2-CD2 3.95Å; H402-T433 PolarHBondContact NE2-N 3.48Å
403H98.1Very high97.8Very high4 Ų438.6 Ų38.62%0.01919%0.191CC..THydrogen-bonded Turntrans-1119.8179-64.877.3000112.9M62 R365 L366 Y399 V400 L401 P405 P411 E412M62-H403 HydrophobicContact CE-CB 3.96Å; M62-H403 HydrophobicContact SD-CB 4.43Å; R365-H403 PolarHBondContact O-CE1 3.36Å; L366-H403 PolarHBondContact O-CE1 3.35Å; L366-H403 PolarHBondContact O-NE2 2.78Å; Y399-H403 AromaticContact CD1-ND1 3.82Å; Y399-H403 AromaticContact CE1-CE1 3.91Å; Y399-H403 AromaticContact CE1-ND1 3.7Å; Y399-H403 AromaticContact CE2-CE1 3.76Å; Y399-H403 AromaticContact CZ-CE1 3.64Å; Y399-H403 AromaticContact CZ-ND1 3.93Å; Y399-H403 PolarHBondContact O-N 3.27Å; Y399-H403 PolarHBondContact O-ND1 3.38Å; V400-H403 CarbonylContact O-C 3.25Å; V400-H403 PolarHBondContact O-N 3.11Å; V400-H403 VanDerWaalsContact O-N 3.08Å; L401-H403 VanDerWaalsContact C-N 3.33Å; H403-P405 WeakPolarHBondContact O-CD 3.4Å; H403-P411 WeakPolarHBondContact O-CB 3.24Å; H403-P411 WeakPolarHBondContact O-CG 3.47Å; H403-E412 IonicContact CD2-OE1 3.34Å; H403-E412 IonicContact CD2-OE2 2.85Å; H403-E412 PolarHBondContact CD2-OE2 3.32Å
404D97.6Very high97.8Very high9 Ų938.9 Ų38.95%0.04819%0.192CC..  trans-76.1118-178.4-176.3-1.2000111Y65 V400 K406 Y407 W408Y65-D404 HydrophobicContact CE1-CB 4.19Å; Y65-D404 WeakPolarHBondContact CE1-OD2 3.4Å; Y65-D404 VanDerWaalsContact CZ-OD2 3.26Å; Y65-D404 PolarHBondContact OH-OD2 3.13Å; V400-D404 PolarHBondContact O-N 2.82Å; D404-K406 PolarHBondContact O-N 3.09Å; D404-K406 VanDerWaalsContact OD1-CB 3.26Å; D404-K406 WeakPolarHBondContact OD1-CB 3.34Å; D404-K406 PolarHBondContact OD1-N 3.32Å; D404-Y407 HydrophobicContact CB-CD2 3.99Å; D404-Y407 PolarHBondContact O-N 2.92Å; D404-Y407 WeakPolarHBondContact OD2-CE2 3.34Å; D404-W408 VanDerWaalsContact O-CD1 3.27Å; D404-W408 PolarHBondContact O-N 2.73Å; D404-W408 VanDerWaalsContact O-N 3.08Å
405P96.6Very high97.8Very high96 Ų9642 Ų4262%0.62321%0.209SC*.THydrogen-bonded Turntrans-61.4-14.5177.926.5-35.8000113.7H403 Y407 W408 P411H403-P405 WeakPolarHBondContact O-CD 3.4Å; P405-Y407 VanDerWaalsContact C-N 3.31Å; P405-W408 WeakPolarHBondContact CA-O 3.41Å; P405-P411 HydrophobicContact CB-CG 4.15Å
406K95.3Very high97.8Very high132 Ų13242.2 Ų42.257%0.57421%0.21SC*.THydrogen-bonded Turntrans-62.9-37171.5-175.1-172.1171.2-158.70112.5D404D404-K406 PolarHBondContact O-N 3.09Å; D404-K406 VanDerWaalsContact OD1-CB 3.26Å; D404-K406 WeakPolarHBondContact OD1-CB 3.34Å; D404-K406 PolarHBondContact OD1-N 3.32Å
407Y96.3Very high97.8Very high71 Ų7146.1 Ų46.128%0.27823%0.228SC..THydrogen-bonded Turntrans-106.2-19.9-175.3-57.7-67.9000112.7L401 D404 P405 I431L401-Y407 HydrophobicContact CD2-CE2 4.48Å; D404-Y407 HydrophobicContact CB-CD2 3.99Å; D404-Y407 PolarHBondContact O-N 2.92Å; D404-Y407 WeakPolarHBondContact OD2-CE2 3.34Å; P405-Y407 VanDerWaalsContact C-N 3.31Å; Y407-I431 HydrophobicContact CD1-CG1 4.17Å; Y407-I431 HydrophobicContact CD1-CG2 4.44Å; Y407-I431 HydrophobicContact CD2-CD1 4.06Å; Y407-I431 HydrophobicContact CD2-CG1 4.22Å; Y407-I431 HydrophobicContact CD2-CG2 3.71Å; Y407-I431 HydrophobicContact CE1-CD1 4.12Å; Y407-I431 HydrophobicContact CE1-CG1 3.97Å; Y407-I431 HydrophobicContact CE2-CD1 3.48Å; Y407-I431 VanDerWaalsContact CE2-CD1 3.48Å; Y407-I431 HydrophobicContact CE2-CG1 4.03Å; Y407-I431 HydrophobicContact CE2-CG2 4.26Å; Y407-I431 HydrophobicContact CG-CG1 4.3Å; Y407-I431 HydrophobicContact CG-CG2 3.81Å
408W97.8Very high97.7Very high14 Ų1447.5 Ų47.55%0.05323%0.234CC..SBendtrans-132.8114.5-172.3-47.599.1000111.4R365 L401 H402 D404 P405 E410 P411 F419 I427 I431 Y432R365-W408 VanDerWaalsContact CD-CE3 3.44Å; R365-W408 VanDerWaalsContact CD-CZ3 3.5Å; R365-W408 HydrophobicContact CG-CH2 4.13Å; R365-W408 HydrophobicContact CG-CZ2 4.07Å; R365-W408 HydrophobicContact CG-CZ3 4.39Å; L401-W408 PolarHBondContact O-NE1 3.09Å; H402-W408 PolarHBondContact O-NE1 3.12Å; D404-W408 VanDerWaalsContact O-CD1 3.27Å; D404-W408 PolarHBondContact O-N 2.73Å; D404-W408 VanDerWaalsContact O-N 3.08Å; P405-W408 WeakPolarHBondContact CA-O 3.41Å; W408-E410 PolarHBondContact O-N 3.18Å; W408-P411 HydrophobicContact CB-CB 4.08Å; W408-P411 WeakPolarHBondContact O-CD 3.26Å; W408-F419 AromaticContact CH2-CZ 3.97Å; W408-F419 HydrophobicContact CH2-CZ 3.97Å; W408-F419 HydrophobicContact CZ3-CE2 4.29Å; W408-F419 HydrophobicContact CZ3-CZ 4.04Å; W408-I427 HydrophobicContact CH2-CG2 3.9Å; W408-I427 HydrophobicContact CZ3-CD1 4.35Å; W408-I431 HydrophobicContact CZ2-CG2 4.23Å; W408-Y432 HydrophobicContact CH2-CD2 4.08Å; W408-Y432 HydrophobicContact CH2-CG 4.23Å; W408-Y432 HydrophobicContact CZ2-CD2 4.3Å
409T97.3Very high97.7Very high115 Ų11548.3 Ų48.371%0.70624%0.237SC*.SBendtrans-67.3123174.5-540000110.6R418T409-R418 VanDerWaalsContact O-CZ 3.29Å; T409-R418 PolarHBondContact O-NH2 3.13Å
410E97.8Very high97.7Very high99 Ų9948.1 Ų48.146%0.46324%0.239SC..SBendtrans57.857.6-174.7-58.7178.993.700112.8W408 E412 K413 R418W408-E410 PolarHBondContact O-N 3.18Å; E410-E412 PolarHBondContact O-N 2.76Å; E410-K413 HydrophobicContact CB-CB 4.41Å; E410-K413 HydrophobicContact CB-CD 4.11Å; E410-K413 HydrophobicContact CB-CG 4.28Å; E410-K413 PolarHBondContact O-N 3Å; E410-K413 WeakPolarHBondContact OE1-CD 3.48Å; E410-K413 WeakPolarHBondContact OE1-CE 3.47Å; E410-K413 IonicContact OE1-NZ 2.94Å; E410-K413 PolarHBondContact OE1-NZ 3.45Å; E410-R418 VanDerWaalsContact C-NH2 3.27Å; E410-R418 PolarHBondContact O-NH2 3.49Å
411P97.9Very high97.5Very high20 Ų2053.9 Ų53.913%0.1326%0.264CS..THydrogen-bonded Turntrans-58.1-26.5-163.122.5-32.9000114.9R365 H403 P405 W408R365-P411 VanDerWaalsContact CZ-O 3.25Å; R365-P411 PolarHBondContact NH1-O 2.93Å; R365-P411 PolarHBondContact NH2-O 3.31Å; H403-P411 WeakPolarHBondContact O-CB 3.24Å; H403-P411 WeakPolarHBondContact O-CG 3.47Å; P405-P411 HydrophobicContact CB-CG 4.15Å; W408-P411 HydrophobicContact CB-CB 4.08Å; W408-P411 WeakPolarHBondContact O-CD 3.26Å
412E97.8Very high97.2Very high119 Ų11962.5 Ų62.556%0.55630%0.301SS*.THydrogen-bonded Turntrans-83-11.8-178.9-55.6-58.7149.400113.6H403 E410H403-E412 IonicContact CD2-OE1 3.34Å; H403-E412 IonicContact CD2-OE2 2.85Å; H403-E412 PolarHBondContact CD2-OE2 3.32Å; E410-E412 PolarHBondContact O-N 2.76Å
413K98.3Very high96.9Very high110 Ų11065.3 Ų65.348%0.47832%0.316SS..SBendtrans-85.5144.3177.4-68.9-171.8176.5175.10111.2R365 E410 L415R365-K413 PolarHBondContact NH2-O 3.13Å; R365-K413 VanDerWaalsContact NH2-O 3.13Å; E410-K413 HydrophobicContact CB-CB 4.41Å; E410-K413 HydrophobicContact CB-CD 4.11Å; E410-K413 HydrophobicContact CB-CG 4.28Å; E410-K413 PolarHBondContact O-N 3Å; E410-K413 WeakPolarHBondContact OE1-CD 3.48Å; E410-K413 WeakPolarHBondContact OE1-CE 3.47Å; E410-K413 IonicContact OE1-NZ 2.94Å; E410-K413 PolarHBondContact OE1-NZ 3.45Å; K413-L415 HydrophobicContact CB-CD1 4.21Å; K413-L415 HydrophobicContact CB-CG 4.04Å; K413-L415 PolarHBondContact O-N 3.46Å
414F98.8Very high96.3Very high6 Ų670.1 Ų70.13%0.02634%0.337CS..  trans-81.8102.8172-178.8-112.2000110.3E320 H324 V327 V359 E362 L366 P416E320-F414 HydrophobicContact CB-CD1 3.97Å; E320-F414 HydrophobicContact CB-CD2 4.06Å; E320-F414 HydrophobicContact CB-CE1 3.86Å; E320-F414 HydrophobicContact CB-CE2 4Å; E320-F414 HydrophobicContact CB-CG 4.06Å; E320-F414 HydrophobicContact CB-CZ 3.9Å; E320-F414 HydrophobicContact CG-CD2 3.91Å; E320-F414 HydrophobicContact CG-CE2 4.14Å; E320-F414 HydrophobicContact CG-CG 4.15Å; H324-F414 HydrophobicContact CB-CD1 4.45Å; H324-F414 AromaticContact CG-CD1 3.98Å; H324-F414 AromaticContact ND1-CD1 3.76Å; V327-F414 HydrophobicContact CB-CE1 4.45Å; V327-F414 HydrophobicContact CG1-CE1 3.91Å; V327-F414 HydrophobicContact CG2-CE1 4.46Å; V359-F414 HydrophobicContact CG1-CZ 4.25Å; E362-F414 HydrophobicContact CB-CD2 4.24Å; E362-F414 HydrophobicContact CB-CE2 3.85Å; E362-F414 HydrophobicContact CG-CD2 3.44Å; E362-F414 VanDerWaalsContact CG-CD2 3.44Å; E362-F414 HydrophobicContact CG-CE2 3.58Å; E362-F414 HydrophobicContact CG-CG 4.29Å; L366-F414 HydrophobicContact CD1-CB 3.86Å; L366-F414 HydrophobicContact CD1-CD2 3.77Å; L366-F414 HydrophobicContact CD1-CG 4.3Å; F414-P416 HydrophobicContact CD1-CG 4.38Å; F414-P416 HydrophobicContact CE1-CG 3.8Å; F414-P416 HydrophobicContact CE2-CG 4.49Å; F414-P416 HydrophobicContact CZ-CG 3.85Å
415L98.4Very high95.9Very high65 Ų6576.1 Ų76.134%0.3437%0.369SS..  trans-130.387.5-176.6-62.8176.3000111.1E362 K413 E417 R418E362-L415 PolarHBondContact OE1-N 2.99Å; K413-L415 HydrophobicContact CB-CD1 4.21Å; K413-L415 HydrophobicContact CB-CG 4.04Å; K413-L415 PolarHBondContact O-N 3.46Å; L415-E417 PolarHBondContact O-N 2.9Å; L415-R418 HydrophobicContact CB-CG 4.35Å; L415-R418 WeakPolarHBondContact O-CG 3.42Å; L415-R418 PolarHBondContact O-N 3.3Å; L415-R418 VanDerWaalsContact O-N 3.16Å
416P98.6Very high95.7Very high4 Ų477.8 Ų77.83%0.02637%0.373CS..G310 helixtrans-53.5-30.3-178.7-28.635.3000114.4V327 Y355 M358 V359 F414 R418 F419V327-P416 HydrophobicContact CG1-CG 3.86Å; V327-P416 HydrophobicContact CG2-CG 4.41Å; Y355-P416 HydrophobicContact CE2-CB 4.14Å; M358-P416 HydrophobicContact CB-CB 4.01Å; M358-P416 HydrophobicContact CE-CB 4.44Å; M358-P416 VanDerWaalsContact CE-O 3.25Å; M358-P416 WeakPolarHBondContact CE-O 3.48Å; V359-P416 HydrophobicContact CG2-CB 4.25Å; V359-P416 HydrophobicContact CG2-CG 4.02Å; F414-P416 HydrophobicContact CD1-CG 4.38Å; F414-P416 HydrophobicContact CE1-CG 3.8Å; F414-P416 HydrophobicContact CE2-CG 4.49Å; F414-P416 HydrophobicContact CZ-CG 3.85Å; P416-R418 PolarHBondContact O-N 2.93Å; P416-F419 PolarHBondContact O-N 3.46Å
417E98Very high95.8Very high83 Ų8373.1 Ų73.139%0.38835%0.354SS..G310 helixtrans-57.1-17.8-179.6-59.6-58.115800114.8K330 Y355 M358 L415 F419 S420 N423K330-E417 IonicContact NZ-OE1 2.93Å; K330-E417 PolarHBondContact NZ-OE1 3.11Å; Y355-E417 VanDerWaalsContact CE2-OE1 3.31Å; Y355-E417 WeakPolarHBondContact CE2-OE1 3.47Å; M358-E417 WeakPolarHBondContact CE-OE2 3.32Å; L415-E417 PolarHBondContact O-N 2.9Å; E417-F419 PolarHBondContact O-N 3.35Å; E417-S420 WeakPolarHBondContact O-CB 3.3Å; E417-S420 PolarHBondContact O-N 3.13Å; E417-S420 PolarHBondContact O-OG 3.11Å; E417-N423 PolarHBondContact O-ND2 3.31Å
418R97.6Very high95.9Very high29 Ų2972.3 Ų72.311%0.10935%0.354CS..G310 helixtrans-58.8-33.9170.8-68.9178.6-178.1174.918.2112.6E362 R365 T409 E410 L415 P416 N423E362-R418 IonicContact OE1-CZ 2.65Å; E362-R418 IonicContact OE1-NH1 3.54Å; R365-R418 VanDerWaalsContact NE-NH1 3.12Å; T409-R418 VanDerWaalsContact O-CZ 3.29Å; T409-R418 PolarHBondContact O-NH2 3.13Å; E410-R418 VanDerWaalsContact C-NH2 3.27Å; E410-R418 PolarHBondContact O-NH2 3.49Å; L415-R418 HydrophobicContact CB-CG 4.35Å; L415-R418 WeakPolarHBondContact O-CG 3.42Å; L415-R418 PolarHBondContact O-N 3.3Å; L415-R418 VanDerWaalsContact O-N 3.16Å; P416-R418 PolarHBondContact O-N 2.93Å; R418-N423 WeakPolarHBondContact O-CB 3.45Å
419F98.1Very high95.8Very high17 Ų1775.3 Ų75.38%0.07538%0.376CS..G310 helixtrans-96.411.5-178.8-70.2-86.6000113.2M358 N361 E362 R365 W408 P416 E417 I427 Y432M358-F419 HydrophobicContact CB-CB 4.24Å; M358-F419 HydrophobicContact CG-CB 4.06Å; M358-F419 WeakPolarHBondContact CG-O 3.21Å; N361-F419 HydrophobicContact CB-CB 4.23Å; N361-F419 HydrophobicContact CB-CD1 3.55Å; N361-F419 HydrophobicContact CB-CD2 3.94Å; N361-F419 HydrophobicContact CB-CE1 3.79Å; N361-F419 HydrophobicContact CB-CE2 4.17Å; N361-F419 HydrophobicContact CB-CG 3.62Å; N361-F419 HydrophobicContact CB-CZ 4.1Å; E362-F419 HydrophobicContact CB-CD2 4.04Å; E362-F419 HydrophobicContact CB-CE2 4.18Å; E362-F419 VanDerWaalsContact OE2-CE2 3.29Å; E362-F419 WeakPolarHBondContact OE2-CE2 3.43Å; R365-F419 HydrophobicContact CB-CE2 4.26Å; R365-F419 HydrophobicContact CB-CZ 4.26Å; W408-F419 AromaticContact CH2-CZ 3.97Å; W408-F419 HydrophobicContact CH2-CZ 3.97Å; W408-F419 HydrophobicContact CZ3-CE2 4.29Å; W408-F419 HydrophobicContact CZ3-CZ 4.04Å; P416-F419 PolarHBondContact O-N 3.46Å; E417-F419 PolarHBondContact O-N 3.35Å; F419-I427 HydrophobicContact CD1-CD1 3.35Å; F419-I427 HydrophobicContact CE1-CD1 3.37Å; F419-I427 HydrophobicContact CG-CD1 4.01Å; F419-I427 HydrophobicContact CZ-CD1 4.03Å; F419-Y432 AromaticContact CE1-CD1 3.83Å; F419-Y432 HydrophobicContact CE1-CD1 3.83Å; F419-Y432 HydrophobicContact CE1-CD2 4.25Å; F419-Y432 AromaticContact CE1-CE1 3.54Å; F419-Y432 HydrophobicContact CE1-CE1 3.54Å; F419-Y432 HydrophobicContact CE1-CE2 4.01Å; F419-Y432 HydrophobicContact CE1-CG 4.17Å; F419-Y432 AromaticContact CE1-CZ 3.63Å; F419-Y432 HydrophobicContact CZ-CD1 4.3Å; F419-Y432 AromaticContact CZ-CD2 3.87Å; F419-Y432 HydrophobicContact CZ-CD2 3.87Å; F419-Y432 HydrophobicContact CZ-CE1 4.02Å; F419-Y432 AromaticContact CZ-CE2 3.58Å; F419-Y432 HydrophobicContact CZ-CE2 3.58Å; F419-Y432 HydrophobicContact CZ-CG 4.22Å; F419-Y432 AromaticContact CZ-CZ 3.64Å
420S96.9Very high95.9Very high18 Ų1871.5 Ų71.513%0.12635%0.349CS..SBendtrans-59.6155.917564.90000111.5E417 K422 N423 K424E417-S420 WeakPolarHBondContact O-CB 3.3Å; E417-S420 PolarHBondContact O-N 3.13Å; E417-S420 PolarHBondContact O-OG 3.11Å; S420-K422 PolarHBondContact O-N 3.01Å; S420-N423 PolarHBondContact O-N 3.28Å; S420-N423 PolarHBondContact OG-ND2 2.92Å; S420-K424 PolarHBondContact O-N 2.96Å
421K93.3Very high95.9Very high121 Ų12167 Ų6753%0.52633%0.327SS..THydrogen-bonded Turntrans-52.6-29.9177.1-80.7-179.4174.91610114.3E354 K424E354-K421 VanDerWaalsContact OE1-CE 3.25Å; E354-K421 WeakPolarHBondContact OE1-CE 3.33Å; E354-K421 IonicContact OE1-NZ 2.87Å; E354-K421 PolarHBondContact OE1-NZ 3.43Å; E354-K421 WeakPolarHBondContact OE2-CD 3.4Å; E354-K421 WeakPolarHBondContact OE2-CE 3.27Å; E354-K421 IonicContact OE2-NZ 2.61Å; E354-K421 PolarHBondContact OE2-NZ 2.89Å; K421-K424 WeakPolarHBondContact O-CE 3.47Å; K421-K424 WeakPolarHBondContact O-CG 3.4Å
422K93.1Very high95.9Very high181 Ų18167.5 Ų67.579%0.78733%0.327SS*.THydrogen-bonded Turntrans-72-33.3177.7-177.6179.9175.5-177.40112.5S420S420-K422 PolarHBondContact O-N 3.01Å
423N92.4Very high96Very high58 Ų5861.9 Ų61.931%0.3130%0.301SS..THydrogen-bonded Turntrans-103.2-19.3-172.4-66.5-23.2000113.2E417 R418 S420 D425 N426E417-N423 PolarHBondContact O-ND2 3.31Å; R418-N423 WeakPolarHBondContact O-CB 3.45Å; S420-N423 PolarHBondContact O-N 3.28Å; S420-N423 PolarHBondContact OG-ND2 2.92Å; N423-D425 PolarHBondContact O-N 3.13Å; N423-D425 VanDerWaalsContact O-N 3.17Å; N423-N426 VanDerWaalsContact O-CB 3.31Å; N423-N426 WeakPolarHBondContact O-CB 3.4Å; N423-N426 PolarHBondContact O-N 3.38Å
424K85.4Confident96Very high106 Ų10657.6 Ų57.646%0.46128%0.284SS..G310 helixtrans-55.3-35.9-17571.3179.6174.3171.20113.6S420 K421 N426 I427S420-K424 PolarHBondContact O-N 2.96Å; K421-K424 WeakPolarHBondContact O-CE 3.47Å; K421-K424 WeakPolarHBondContact O-CG 3.4Å; K424-N426 PolarHBondContact O-N 3.41Å; K424-I427 WeakPolarHBondContact O-CB 3.4Å; K424-I427 PolarHBondContact O-N 3.34Å; K424-I427 VanDerWaalsContact O-N 3.13Å
425D89.6Confident95.9Very high134 Ų13459.1 Ų59.172%0.71729%0.291SS*.G310 helixtrans-74.1-14.9-177.3-61-31.3000111.6N423 I427N423-D425 PolarHBondContact O-N 3.13Å; N423-D425 VanDerWaalsContact O-N 3.17Å; D425-I427 VanDerWaalsContact C-N 3.34Å
426N92.3Very high95.9Very high132 Ų13256.8 Ų56.871%0.70628%0.283SS*.G310 helixtrans-84.7-7.9173.3-58.6-32.6000112.8N423 K424 D428N423-N426 VanDerWaalsContact O-CB 3.31Å; N423-N426 WeakPolarHBondContact O-CB 3.4Å; N423-N426 PolarHBondContact O-N 3.38Å; K424-N426 PolarHBondContact O-N 3.41Å; N426-D428 PolarHBondContact O-N 3.46Å
427I96.3Very high95.9Very high33 Ų3357.6 Ų57.617%0.16929%0.289CS..SBendtrans-87.3110.6-178.1-56.9-179.5000109W408 F419 K424 D425 Y432W408-I427 HydrophobicContact CH2-CG2 3.9Å; W408-I427 HydrophobicContact CZ3-CD1 4.35Å; F419-I427 HydrophobicContact CD1-CD1 3.35Å; F419-I427 HydrophobicContact CE1-CD1 3.37Å; F419-I427 HydrophobicContact CG-CD1 4.01Å; F419-I427 HydrophobicContact CZ-CD1 4.03Å; K424-I427 WeakPolarHBondContact O-CB 3.4Å; K424-I427 PolarHBondContact O-N 3.34Å; K424-I427 VanDerWaalsContact O-N 3.13Å; D425-I427 VanDerWaalsContact C-N 3.34Å; I427-Y432 HydrophobicContact CG2-CD1 4.27Å; I427-Y432 HydrophobicContact CG2-CG 4.11Å
428D97.6Very high95.9Very high54 Ų5454.6 Ų54.629%0.28928%0.28SS..  trans-66.9122.8176.3-171.5-41.6000110.6P87 N426 Y430 I431 Y432P87-D428 VanDerWaalsContact CB-OD2 3.27Å; P87-D428 WeakPolarHBondContact CB-OD2 3.34Å; N426-D428 PolarHBondContact O-N 3.46Å; D428-Y430 PolarHBondContact O-N 3.39Å; D428-Y430 VanDerWaalsContact O-N 3.13Å; D428-Y430 WeakPolarHBondContact OD1-CA 3.42Å; D428-Y430 WeakPolarHBondContact OD1-CB 3.23Å; D428-Y430 WeakPolarHBondContact OD1-CD2 3.36Å; D428-Y430 PolarHBondContact OD1-N 3.44Å; D428-I431 HydrophobicContact CB-CB 4.09Å; D428-I431 HydrophobicContact CB-CG1 3.84Å; D428-I431 PolarHBondContact O-N 3.33Å; D428-Y432 PolarHBondContact O-N 2.85Å
429P97.5Very high95.9Very high77 Ų7754.8 Ų54.850%0.529%0.285SS..THydrogen-bonded Turntrans-69.3-7.8-177.830.4-37.2000114.1T433P429-T433 VanDerWaalsContact O-CG2 3.27Å; P429-T433 WeakPolarHBondContact O-CG2 3.08Å
430Y98.2Very high95.9Very high36 Ų3654 Ų5414%0.14128%0.282CS..THydrogen-bonded Turntrans-100.7-7.9174.1-53.2-68.7000112.6I90 K91 V95 D428I90-Y430 WeakPolarHBondContact CD1-O 3.5Å; I90-Y430 HydrophobicContact CG2-CD1 4.2Å; I90-Y430 HydrophobicContact CG2-CG 4.43Å; K91-Y430 HydrophobicContact CB-CD1 3.91Å; K91-Y430 HydrophobicContact CB-CD2 3.95Å; K91-Y430 HydrophobicContact CB-CE1 3.71Å; K91-Y430 HydrophobicContact CB-CE2 3.75Å; K91-Y430 HydrophobicContact CB-CG 4.03Å; K91-Y430 HydrophobicContact CD-CD2 4.39Å; K91-Y430 HydrophobicContact CD-CE2 3.56Å; K91-Y430 WeakPolarHBondContact CE-OH 3.28Å; K91-Y430 HydrophobicContact CG-CD2 4.48Å; K91-Y430 HydrophobicContact CG-CE1 3.88Å; K91-Y430 HydrophobicContact CG-CE2 3.78Å; K91-Y430 VanDerWaalsContact CG-CZ 3.43Å; K91-Y430 WeakPolarHBondContact CG-OH 3.27Å; V95-Y430 HydrophobicContact CG2-CE1 3.85Å; D428-Y430 PolarHBondContact O-N 3.39Å; D428-Y430 VanDerWaalsContact O-N 3.13Å; D428-Y430 WeakPolarHBondContact OD1-CA 3.42Å; D428-Y430 WeakPolarHBondContact OD1-CB 3.23Å; D428-Y430 WeakPolarHBondContact OD1-CD2 3.36Å; D428-Y430 PolarHBondContact OD1-N 3.44Å
431I98.3Very high96Very high3 Ų355.1 Ų55.12%0.01529%0.286CS..THydrogen-bonded Turntrans-94.3-49.4166.7-62.8-56.7000109.9P87 L401 H402 Y407 W408 D428 T433P87-I431 HydrophobicContact CG-CD1 3.8Å; P87-I431 HydrophobicContact CG-CG1 4.02Å; L401-I431 HydrophobicContact CB-CG2 4.28Å; L401-I431 HydrophobicContact CD1-CD1 4.29Å; L401-I431 HydrophobicContact CD2-CD1 3.94Å; H402-I431 PolarHBondContact CD2-O 3.2Å; H402-I431 PolarHBondContact NE2-O 2.9Å; Y407-I431 HydrophobicContact CD1-CG1 4.17Å; Y407-I431 HydrophobicContact CD1-CG2 4.44Å; Y407-I431 HydrophobicContact CD2-CD1 4.06Å; Y407-I431 HydrophobicContact CD2-CG1 4.22Å; Y407-I431 HydrophobicContact CD2-CG2 3.71Å; Y407-I431 HydrophobicContact CE1-CD1 4.12Å; Y407-I431 HydrophobicContact CE1-CG1 3.97Å; Y407-I431 HydrophobicContact CE2-CD1 3.48Å; Y407-I431 VanDerWaalsContact CE2-CD1 3.48Å; Y407-I431 HydrophobicContact CE2-CG1 4.03Å; Y407-I431 HydrophobicContact CE2-CG2 4.26Å; Y407-I431 HydrophobicContact CG-CG1 4.3Å; Y407-I431 HydrophobicContact CG-CG2 3.81Å; W408-I431 HydrophobicContact CZ2-CG2 4.23Å; D428-I431 HydrophobicContact CB-CB 4.09Å; D428-I431 HydrophobicContact CB-CG1 3.84Å; D428-I431 PolarHBondContact O-N 3.33Å; I431-T433 PolarHBondContact O-N 3.41Å
432Y98.6Very high96.2Very high32 Ų3251.9 Ų51.913%0.12528%0.278CS..  trans-88.985176.8-178.5-113.9000111.8N361 R365 H402 W408 F419 I427 D428 P434N361-Y432 VanDerWaalsContact CA-OH 3.24Å; N361-Y432 WeakPolarHBondContact CA-OH 3.42Å; N361-Y432 WeakPolarHBondContact CB-OH 3.3Å; N361-Y432 PolarHBondContact O-OH 3.22Å; N361-Y432 PolarHBondContact OD1-OH 2.83Å; R365-Y432 HydrophobicContact CB-CD2 4.23Å; R365-Y432 HydrophobicContact CB-CE2 3.8Å; R365-Y432 HydrophobicContact CG-CD2 4.34Å; R365-Y432 HydrophobicContact CG-CE2 4.4Å; H402-Y432 AromaticContact NE2-CD2 3.95Å; W408-Y432 HydrophobicContact CH2-CD2 4.08Å; W408-Y432 HydrophobicContact CH2-CG 4.23Å; W408-Y432 HydrophobicContact CZ2-CD2 4.3Å; F419-Y432 AromaticContact CE1-CD1 3.83Å; F419-Y432 HydrophobicContact CE1-CD1 3.83Å; F419-Y432 HydrophobicContact CE1-CD2 4.25Å; F419-Y432 AromaticContact CE1-CE1 3.54Å; F419-Y432 HydrophobicContact CE1-CE1 3.54Å; F419-Y432 HydrophobicContact CE1-CE2 4.01Å; F419-Y432 HydrophobicContact CE1-CG 4.17Å; F419-Y432 AromaticContact CE1-CZ 3.63Å; F419-Y432 HydrophobicContact CZ-CD1 4.3Å; F419-Y432 AromaticContact CZ-CD2 3.87Å; F419-Y432 HydrophobicContact CZ-CD2 3.87Å; F419-Y432 HydrophobicContact CZ-CE1 4.02Å; F419-Y432 AromaticContact CZ-CE2 3.58Å; F419-Y432 HydrophobicContact CZ-CE2 3.58Å; F419-Y432 HydrophobicContact CZ-CG 4.22Å; F419-Y432 AromaticContact CZ-CZ 3.64Å; I427-Y432 HydrophobicContact CG2-CD1 4.27Å; I427-Y432 HydrophobicContact CG2-CG 4.11Å; D428-Y432 PolarHBondContact O-N 2.85Å; Y432-P434 HydrophobicContact CD1-CG 4.42Å; Y432-P434 HydrophobicContact CD2-CG 4.42Å; Y432-P434 HydrophobicContact CE1-CG 3.85Å; Y432-P434 HydrophobicContact CE2-CB 4.49Å; Y432-P434 HydrophobicContact CE2-CG 3.82Å; Y432-P434 WeakPolarHBondContact O-CD 3.43Å
433T98.3Very high96.4Very high1 Ų144.9 Ų44.91%0.00625%0.249CC..  trans-115.150.7-176.255.20000116.4L373 S398 H402 P429 I431 F435 G436L373-T433 HydrophobicContact CD1-CG2 4.47Å; S398-T433 PolarHBondContact OG-OG1 3.42Å; S398-T433 VanDerWaalsContact OG-OG1 3.09Å; H402-T433 PolarHBondContact NE2-N 3.48Å; P429-T433 VanDerWaalsContact O-CG2 3.27Å; P429-T433 WeakPolarHBondContact O-CG2 3.08Å; I431-T433 PolarHBondContact O-N 3.41Å; T433-F435 PolarHBondContact O-N 2.86Å; T433-G436 PolarHBondContact O-N 3.05Å; T433-G436 VanDerWaalsContact O-N 3.09Å
434P97.9Very high96.6Very high20 Ų2042.8 Ų42.813%0.1324%0.241CC..THydrogen-bonded Turntrans-63.7-26.7-178.229.8-38.3000113.7L364 Y432L364-P434 HydrophobicContact CB-CB 3.9Å; L364-P434 HydrophobicContact CB-CG 4.33Å; L364-P434 HydrophobicContact CD2-CB 4.45Å; Y432-P434 HydrophobicContact CD1-CG 4.42Å; Y432-P434 HydrophobicContact CD2-CG 4.42Å; Y432-P434 HydrophobicContact CE1-CG 3.85Å; Y432-P434 HydrophobicContact CE2-CB 4.49Å; Y432-P434 HydrophobicContact CE2-CG 3.82Å; Y432-P434 WeakPolarHBondContact O-CD 3.43Å
435F98.4Very high97.2Very high37 Ų3740.7 Ų40.716%0.16223%0.233CC..THydrogen-bonded Turntrans-10910.7176.1-67.2-74.4000113L364 T433 C442 M445 A448 L449L364-F435 HydrophobicContact CD1-CE2 3.52Å; L364-F435 HydrophobicContact CD1-CZ 3.87Å; T433-F435 PolarHBondContact O-N 2.86Å; F435-C442 HydrophobicContact CB-CB 3.92Å; F435-C442 HydrophobicContact CD1-CB 3.82Å; F435-C442 HydrophobicContact CG-CB 4.35Å; F435-C442 PolarHBondContact O-N 3.02Å; F435-M445 HydrophobicContact CB-CB 4.3Å; F435-M445 HydrophobicContact CB-CG 4Å; F435-M445 HydrophobicContact CB-SD 3.74Å; F435-M445 HydrophobicContact CD1-CB 3.98Å; F435-M445 HydrophobicContact CD1-CG 3.91Å; F435-M445 HydrophobicContact CD2-CG 3.61Å; F435-M445 HydrophobicContact CD2-SD 3.84Å; F435-M445 HydrophobicContact CE1-CB 4.45Å; F435-M445 HydrophobicContact CE1-CG 4.27Å; F435-M445 HydrophobicContact CE2-CG 3.99Å; F435-M445 HydrophobicContact CG-CB 4.03Å; F435-M445 HydrophobicContact CG-CG 3.56Å; F435-M445 HydrophobicContact CG-SD 3.87Å; F435-M445 HydrophobicContact CZ-CG 4.31Å; F435-A448 HydrophobicContact CE1-CB 4.48Å; F435-L449 HydrophobicContact CE2-CD1 4.42Å; F435-L449 HydrophobicContact CE2-CD2 4.12Å; F435-L449 HydrophobicContact CE2-CG 4.27Å; F435-L449 HydrophobicContact CZ-CD2 4.24Å; F435-L449 HydrophobicContact CZ-CG 4.28Å
436G98.1Very high97.5Very high16 Ų1638.9 Ų38.917%0.16522%0.216CC..  trans66.6-171.3-168.700000113.4T433T433-G436 PolarHBondContact O-N 3.05Å; T433-G436 VanDerWaalsContact O-N 3.09Å
437S98.2Very high97.7Very high22 Ų2233 Ų3315%0.15419%0.185CC..  trans-142.4166.4179.9-169.40000111.2
438G97.9Very high97.8Very high20 Ų2032 Ų3221%0.20618%0.181CC..SBendtrans71-169.7179.200000115.2L94 R440 N441L94-G438 WeakPolarHBondContact O-CA 3.24Å; G438-R440 PolarHBondContact O-N 2.94Å; G438-N441 WeakPolarHBondContact O-CB 3.24Å; G438-N441 PolarHBondContact O-N 2.91Å
439P98.3Very high97.8Very high33 Ų3331 Ų3121%0.21418%0.175CC..THydrogen-bonded Turntrans-56.3-25.5-173.5-30.437.7000115.6C98 Y99 W126C98-P439 HydrophobicContact CB-CG 4.2Å; Y99-P439 HydrophobicContact CE1-CB 4.04Å; Y99-P439 HydrophobicContact CE1-CG 4.41Å; Y99-P439 HydrophobicContact CE2-CB 4.2Å; Y99-P439 HydrophobicContact CE2-CG 3.73Å; Y99-P439 WeakPolarHBondContact OH-CB 3.39Å; W126-P439 HydrophobicContact CH2-CB 3.98Å; W126-P439 WeakPolarHBondContact CZ2-O 3.43Å
440R98.1Very high97.8Very high1 Ų127.7 Ų27.70%0.00415%0.154CC..THydrogen-bonded Turntrans-105.423.4-177.7-157.4159.8-179154.90.2113.2T103 N104 R105 A121 W126 G438T103-R440 WeakPolarHBondContact O-CD 3.3Å; T103-R440 VanDerWaalsContact O-CZ 3.32Å; T103-R440 PolarHBondContact O-NE 3.32Å; T103-R440 PolarHBondContact O-NH1 2.79Å; N104-R440 PolarHBondContact OD1-NH1 2.93Å; N104-R440 VanDerWaalsContact OD1-NH1 3.13Å; R105-R440 PolarHBondContact NH2-O 2.86Å; A121-R440 PolarHBondContact O-NH2 3.23Å; W126-R440 HydrophobicContact CD2-CG 4.49Å; W126-R440 HydrophobicContact CH2-CB 3.92Å; W126-R440 HydrophobicContact CH2-CG 4.24Å; W126-R440 HydrophobicContact CZ2-CB 3.5Å; W126-R440 VanDerWaalsContact CZ2-CB 3.5Å; W126-R440 HydrophobicContact CZ2-CG 3.49Å; W126-R440 VanDerWaalsContact CZ2-CG 3.49Å; G438-R440 PolarHBondContact O-N 2.94Å
441N98.4Very high97.7Very high41 Ų4126 Ų2622%0.21915%0.148CC..SBendtrans-65.6175.9170.277.5-16.5000112.6R130 G438 I443R130-N441 PolarHBondContact NH1-O 2.67Å; R130-N441 PolarHBondContact NH2-OD1 2.96Å; G438-N441 WeakPolarHBondContact O-CB 3.24Å; G438-N441 PolarHBondContact O-N 2.91Å; N441-I443 PolarHBondContact O-N 2.97Å
442C98.4Very high97.7Very high53 Ų5326 Ų2636%0.35815%0.148SC..  trans-60117.9175.7-175.70000111.3F435 G444 M445F435-C442 HydrophobicContact CB-CB 3.92Å; F435-C442 HydrophobicContact CD1-CB 3.82Å; F435-C442 HydrophobicContact CG-CB 4.35Å; F435-C442 PolarHBondContact O-N 3.02Å; C442-G444 VanDerWaalsContact C-N 3.29Å; C442-G444 PolarHBondContact O-N 3.42Å; C442-M445 HydrophobicContact CB-CB 4.29Å
443I97.1Very high97.7Very high33 Ų3325 Ų2517%0.16914%0.144CC..THydrogen-bonded Turntrans-66.9-33.5178.1-158.6175.9000112I118 L133 F137 F302 N441I118-I443 HydrophobicContact CD1-CD1 4Å; L133-I443 HydrophobicContact CB-CD1 3.85Å; F137-I443 HydrophobicContact CD2-CD1 4.41Å; F137-I443 HydrophobicContact CD2-CG1 3.95Å; F137-I443 HydrophobicContact CD2-CG2 4.4Å; F137-I443 WeakPolarHBondContact CD2-O 3.24Å; F137-I443 HydrophobicContact CE2-CG1 4.27Å; F137-I443 HydrophobicContact CE2-CG2 3.93Å; F302-I443 HydrophobicContact CZ-CG2 4.15Å; N441-I443 PolarHBondContact O-N 2.97Å
444G96.4Very high97.7Very high14 Ų1425 Ų2514%0.14414%0.144CC..THydrogen-bonded Turntrans-91.811.5-176.300000114.4C442 R446 F447 A448C442-G444 VanDerWaalsContact C-N 3.29Å; C442-G444 PolarHBondContact O-N 3.42Å; G444-R446 VanDerWaalsContact C-N 3.34Å; G444-R446 PolarHBondContact O-N 3.28Å; G444-F447 WeakPolarHBondContact O-CB 3.25Å; G444-F447 PolarHBondContact O-N 2.94Å; G444-A448 WeakPolarHBondContact O-CB 3.38Å; G444-A448 PolarHBondContact O-N 3.15Å
445M97.8Very high97.7Very high62 Ų6224 Ų2431%0.30514%0.137SC..Hα-helixtrans-51.7-51-175.1175.5178.679.200112.3F435 C442 F447 A448 L449F435-M445 HydrophobicContact CB-CB 4.3Å; F435-M445 HydrophobicContact CB-CG 4Å; F435-M445 HydrophobicContact CB-SD 3.74Å; F435-M445 HydrophobicContact CD1-CB 3.98Å; F435-M445 HydrophobicContact CD1-CG 3.91Å; F435-M445 HydrophobicContact CD2-CG 3.61Å; F435-M445 HydrophobicContact CD2-SD 3.84Å; F435-M445 HydrophobicContact CE1-CB 4.45Å; F435-M445 HydrophobicContact CE1-CG 4.27Å; F435-M445 HydrophobicContact CE2-CG 3.99Å; F435-M445 HydrophobicContact CG-CB 4.03Å; F435-M445 HydrophobicContact CG-CG 3.56Å; F435-M445 HydrophobicContact CG-SD 3.87Å; F435-M445 HydrophobicContact CZ-CG 4.31Å; C442-M445 HydrophobicContact CB-CB 4.29Å; M445-F447 PolarHBondContact O-N 2.92Å; M445-A448 PolarHBondContact O-N 3.45Å; M445-L449 HydrophobicContact CG-CD1 4.06Å; M445-L449 WeakPolarHBondContact O-CG 3.34Å; M445-L449 PolarHBondContact O-N 3.24Å
446R96.4Very high97.7Very high96 Ų9622.3 Ų22.336%0.36213%0.13SC..Hα-helixtrans-67.3-39-177.4-62.4-179.367.2-1640.2112.2S139 L142 Y347 G444 V450S139-R446 PolarHBondContact OG-NH1 2.97Å; S139-R446 PolarHBondContact OG-NH2 3.12Å; L142-R446 HydrophobicContact CD1-CB 3.58Å; Y347-R446 PolarHBondContact OH-NH2 2.9Å; G444-R446 VanDerWaalsContact C-N 3.34Å; G444-R446 PolarHBondContact O-N 3.28Å; R446-V450 VanDerWaalsContact O-CG2 3.32Å; R446-V450 WeakPolarHBondContact O-CG2 3.32Å; R446-V450 PolarHBondContact O-N 3.44Å; R446-V450 VanDerWaalsContact O-N 3.07Å
447F96.1Very high97.7Very high10 Ų1021.6 Ų21.64%0.04412%0.122CC..Hα-helixtrans-61.1-49.9174.1174-93.6000111.2F137 L142 M145 I149 V183 I184 T187 G444 M445 L449 V450 N451F137-F447 HydrophobicContact CD1-CB 3.61Å; F137-F447 HydrophobicContact CD1-CD2 4.49Å; F137-F447 HydrophobicContact CD1-CG 4.24Å; F137-F447 HydrophobicContact CE1-CB 3.65Å; F137-F447 HydrophobicContact CE1-CD1 4.49Å; F137-F447 HydrophobicContact CE1-CD2 4.2Å; F137-F447 AromaticContact CE1-CG 3.87Å; F137-F447 HydrophobicContact CE1-CG 3.87Å; L142-F447 HydrophobicContact CD2-CB 3.8Å; L142-F447 HydrophobicContact CD2-CD2 3.98Å; L142-F447 HydrophobicContact CD2-CG 4.41Å; M145-F447 HydrophobicContact SD-CD2 3.93Å; M145-F447 HydrophobicContact SD-CE2 3.92Å; I149-F447 HydrophobicContact CD1-CE2 4.27Å; V183-F447 HydrophobicContact CG1-CZ 3.88Å; I184-F447 HydrophobicContact CD1-CE1 3.94Å; I184-F447 HydrophobicContact CD1-CZ 4.12Å; T187-F447 HydrophobicContact CG2-CE2 4.37Å; T187-F447 WeakPolarHBondContact OG1-CZ 3.46Å; G444-F447 WeakPolarHBondContact O-CB 3.25Å; G444-F447 PolarHBondContact O-N 2.94Å; M445-F447 PolarHBondContact O-N 2.92Å; F447-L449 PolarHBondContact O-N 3.35Å; F447-V450 PolarHBondContact O-N 3.04Å; F447-N451 HydrophobicContact CE1-CB 4.5Å; F447-N451 WeakPolarHBondContact O-CB 3.35Å; F447-N451 PolarHBondContact O-N 3.07Å
448A97.6Very high97.7Very high10 Ų1022.1 Ų22.18%0.08312%0.121CC..Hα-helixtrans-59.4-46.3-179.900000111.4F435 G444 M445 N451 M452F435-A448 HydrophobicContact CE1-CB 4.48Å; G444-A448 WeakPolarHBondContact O-CB 3.38Å; G444-A448 PolarHBondContact O-N 3.15Å; M445-A448 PolarHBondContact O-N 3.45Å; A448-N451 PolarHBondContact O-N 2.67Å; A448-M452 HydrophobicContact CB-CE 4.32Å; A448-M452 WeakPolarHBondContact O-CB 3.49Å; A448-M452 WeakPolarHBondContact O-CE 3.44Å; A448-M452 VanDerWaalsContact O-CG 3.22Å; A448-M452 WeakPolarHBondContact O-CG 3.26Å; A448-M452 PolarHBondContact O-N 3.22Å
449L98.1Very high97.7Very high33 Ų3321.2 Ų21.217%0.17311%0.111CC..Hα-helixtrans-61.8-46.1178.4-71171000112.4V360 L364 F435 M445 F447 M452 K453V360-L449 HydrophobicContact CG1-CD2 3.75Å; L364-L449 HydrophobicContact CD1-CD2 4.34Å; F435-L449 HydrophobicContact CE2-CD1 4.42Å; F435-L449 HydrophobicContact CE2-CD2 4.12Å; F435-L449 HydrophobicContact CE2-CG 4.27Å; F435-L449 HydrophobicContact CZ-CD2 4.24Å; F435-L449 HydrophobicContact CZ-CG 4.28Å; M445-L449 HydrophobicContact CG-CD1 4.06Å; M445-L449 WeakPolarHBondContact O-CG 3.34Å; M445-L449 PolarHBondContact O-N 3.24Å; F447-L449 PolarHBondContact O-N 3.35Å; L449-M452 HydrophobicContact CD2-CE 4.16Å; L449-K453 WeakPolarHBondContact O-CB 3.29Å; L449-K453 VanDerWaalsContact O-CG 3.24Å; L449-K453 WeakPolarHBondContact O-CG 3.31Å; L449-K453 PolarHBondContact O-N 3.05Å
450V96.8Very high97.7Very high9 Ų919.7 Ų19.76%0.05510%0.101CC..Hα-helixtrans-63.6-46.5177.3170.30000110.9V146 Y347 R446 F447 K453 L454V146-V450 HydrophobicContact CG2-CG1 4.12Å; Y347-V450 HydrophobicContact CD2-CG1 4.41Å; Y347-V450 HydrophobicContact CD2-CG2 4.38Å; Y347-V450 HydrophobicContact CE2-CG2 3.89Å; R446-V450 VanDerWaalsContact O-CG2 3.32Å; R446-V450 WeakPolarHBondContact O-CG2 3.32Å; R446-V450 PolarHBondContact O-N 3.44Å; R446-V450 VanDerWaalsContact O-N 3.07Å; F447-V450 PolarHBondContact O-N 3.04Å; V450-K453 PolarHBondContact O-N 3.1Å; V450-L454 HydrophobicContact CG1-CD1 3.75Å; V450-L454 HydrophobicContact CG1-CG 4.38Å; V450-L454 WeakPolarHBondContact O-CB 3.25Å; V450-L454 VanDerWaalsContact O-CG 3.31Å; V450-L454 WeakPolarHBondContact O-CG 3.36Å; V450-L454 PolarHBondContact O-N 3.41Å
451N97.1Very high97.7Very high1 Ų119.7 Ų19.71%0.00510%0.101CC..Hα-helixtrans-58.8-51.9178.9-17719.5000111.7Y179 F447 A448 K453 L454 A455Y179-N451 WeakPolarHBondContact CE1-OD1 3.31Å; Y179-N451 PolarHBondContact OH-O 2.71Å; Y179-N451 PolarHBondContact OH-OD1 3.43Å; F447-N451 HydrophobicContact CE1-CB 4.5Å; F447-N451 WeakPolarHBondContact O-CB 3.35Å; F447-N451 PolarHBondContact O-N 3.07Å; A448-N451 PolarHBondContact O-N 2.67Å; N451-K453 PolarHBondContact O-N 3.19Å; N451-L454 PolarHBondContact O-N 2.9Å; N451-A455 PolarHBondContact O-N 3.12Å
452M98.5Very high97.7Very high3 Ų318.1 Ų18.12%0.0159%0.093CC..Hα-helixtrans-61.6-44.6179.5-69-175.2-64.300111.8T310 V313 L314 V360 A448 L449 A455 L456T310-M452 HydrophobicContact CG2-CG 3.62Å; T310-M452 HydrophobicContact CG2-SD 4.46Å; V313-M452 HydrophobicContact CB-SD 3.64Å; V313-M452 HydrophobicContact CG1-CE 4.21Å; V313-M452 HydrophobicContact CG1-SD 3.43Å; V313-M452 WeakPolarHBondContact CG1-SD 3.18Å; V313-M452 HydrophobicContact CG2-SD 4.5Å; L314-M452 HydrophobicContact CD2-CB 3.95Å; L314-M452 HydrophobicContact CD2-CG 4.14Å; L314-M452 HydrophobicContact CG-CB 4.39Å; L314-M452 HydrophobicContact CG-CG 4.02Å; V360-M452 HydrophobicContact CG1-CE 4.47Å; A448-M452 HydrophobicContact CB-CE 4.32Å; A448-M452 WeakPolarHBondContact O-CB 3.49Å; A448-M452 WeakPolarHBondContact O-CE 3.44Å; A448-M452 VanDerWaalsContact O-CG 3.22Å; A448-M452 WeakPolarHBondContact O-CG 3.26Å; A448-M452 PolarHBondContact O-N 3.22Å; L449-M452 HydrophobicContact CD2-CE 4.16Å; M452-A455 WeakPolarHBondContact O-CB 3.17Å; M452-A455 PolarHBondContact O-N 2.77Å; M452-L456 WeakPolarHBondContact O-CB 3.37Å; M452-L456 WeakPolarHBondContact O-CD1 3.5Å; M452-L456 WeakPolarHBondContact O-CG 3.3Å; M452-L456 PolarHBondContact O-N 2.78Å
453K98.4Very high97.6Very high10 Ų1015.6 Ų15.64%0.0438%0.076CC..Hα-helixtrans-65.8-39.7179.2-71.6-178.7179.9-169.90112.6V350 L356 D357 V360 L449 V450 N451 A455 L456 V457V350-K453 HydrophobicContact CG1-CB 3.46Å; V350-K453 VanDerWaalsContact CG1-CB 3.46Å; V350-K453 HydrophobicContact CG1-CD 3.69Å; V350-K453 HydrophobicContact CG1-CG 4.25Å; L356-K453 HydrophobicContact CD2-CB 3.99Å; L356-K453 HydrophobicContact CD2-CD 4.47Å; L356-K453 HydrophobicContact CD2-CG 4.01Å; L356-K453 HydrophobicContact CG-CG 4.24Å; D357-K453 VanDerWaalsContact OD1-CE 3.29Å; D357-K453 WeakPolarHBondContact OD1-CE 3.46Å; D357-K453 IonicContact OD1-NZ 3.44Å; D357-K453 PolarHBondContact OD1-NZ 3.47Å; V360-K453 HydrophobicContact CG2-CG 4.22Å; L449-K453 WeakPolarHBondContact O-CB 3.29Å; L449-K453 VanDerWaalsContact O-CG 3.24Å; L449-K453 WeakPolarHBondContact O-CG 3.31Å; L449-K453 PolarHBondContact O-N 3.05Å; V450-K453 PolarHBondContact O-N 3.1Å; N451-K453 PolarHBondContact O-N 3.19Å; K453-A455 VanDerWaalsContact C-N 3.34Å; K453-A455 PolarHBondContact O-N 3.36Å; K453-L456 PolarHBondContact O-N 2.92Å; K453-V457 WeakPolarHBondContact O-CB 3.3Å; K453-V457 VanDerWaalsContact O-CG2 3.28Å; K453-V457 WeakPolarHBondContact O-CG2 3.34Å; K453-V457 PolarHBondContact O-N 3.46Å
454L97.9Very high97.7Very high1 Ų115.4 Ų15.41%0.0058%0.077CC..Hα-helixtrans-59.5-45.5174.2-77.2168.2000111.3V146 I149 P345 V350 V450 N451 V457 R458V146-L454 HydrophobicContact CB-CD1 4.4Å; V146-L454 HydrophobicContact CG1-CD1 4.02Å; V146-L454 HydrophobicContact CG1-CD2 4.18Å; V146-L454 HydrophobicContact CG2-CD1 4.14Å; I149-L454 HydrophobicContact CB-CD1 3.85Å; I149-L454 HydrophobicContact CD1-CD1 4.24Å; I149-L454 HydrophobicContact CG2-CB 3.97Å; I149-L454 HydrophobicContact CG2-CD1 3.57Å; I149-L454 HydrophobicContact CG2-CG 4.42Å; P345-L454 HydrophobicContact CB-CD2 3.73Å; P345-L454 HydrophobicContact CG-CD2 3.56Å; V350-L454 HydrophobicContact CG2-CD2 3.65Å; V350-L454 HydrophobicContact CG2-CG 4.09Å; V450-L454 HydrophobicContact CG1-CD1 3.75Å; V450-L454 HydrophobicContact CG1-CG 4.38Å; V450-L454 WeakPolarHBondContact O-CB 3.25Å; V450-L454 VanDerWaalsContact O-CG 3.31Å; V450-L454 WeakPolarHBondContact O-CG 3.36Å; V450-L454 PolarHBondContact O-N 3.41Å; N451-L454 PolarHBondContact O-N 2.9Å; L454-V457 PolarHBondContact O-N 3.33Å; L454-R458 WeakPolarHBondContact O-CG 3.29Å; L454-R458 PolarHBondContact O-N 3.03Å; L454-R458 VanDerWaalsContact O-N 3.11Å
455A98.3Very high97.8Very high0 Ų014.8 Ų14.80%07%0.071CC..Hα-helixtrans-58.9-49.2174.900000111.7L156 Y179 L314 N451 M452 K453 V457 R458 V459L156-A455 HydrophobicContact CD2-CB 4.31Å; Y179-A455 HydrophobicContact CD1-CB 4.28Å; Y179-A455 HydrophobicContact CE1-CB 3.51Å; Y179-A455 HydrophobicContact CE2-CB 4.47Å; L314-A455 HydrophobicContact CD1-CB 4.16Å; L314-A455 HydrophobicContact CD2-CB 4.13Å; N451-A455 PolarHBondContact O-N 3.12Å; M452-A455 WeakPolarHBondContact O-CB 3.17Å; M452-A455 PolarHBondContact O-N 2.77Å; K453-A455 VanDerWaalsContact C-N 3.34Å; K453-A455 PolarHBondContact O-N 3.36Å; A455-V457 PolarHBondContact O-N 2.9Å; A455-R458 PolarHBondContact O-N 2.83Å; A455-V459 WeakPolarHBondContact O-CB 3.21Å; A455-V459 VanDerWaalsContact O-CG2 3.3Å; A455-V459 WeakPolarHBondContact O-CG2 3.46Å; A455-V459 PolarHBondContact O-N 2.85Å
456L98.6Very high97.8Very high1 Ų116.6 Ų16.61%0.0058%0.077CC..Hα-helixtrans-61.8-43.7-179.2-69.9165.3000112L314 I317 I318 L356 V360 M452 K453 V459 L460L314-L456 HydrophobicContact CD2-CD1 4.28Å; L314-L456 HydrophobicContact CD2-CD2 4.01Å; L314-L456 HydrophobicContact CD2-CG 3.8Å; I317-L456 HydrophobicContact CB-CD2 4.34Å; I317-L456 HydrophobicContact CD1-CD1 3.74Å; I317-L456 HydrophobicContact CG2-CD1 4Å; I317-L456 HydrophobicContact CG2-CD2 3.64Å; I317-L456 HydrophobicContact CG2-CG 4.49Å; I318-L456 HydrophobicContact CD1-CD2 3.72Å; I318-L456 HydrophobicContact CG1-CD2 4.22Å; L356-L456 HydrophobicContact CD1-CB 4.04Å; L356-L456 HydrophobicContact CD1-CD1 3.94Å; V360-L456 HydrophobicContact CG2-CD1 3.9Å; M452-L456 WeakPolarHBondContact O-CB 3.37Å; M452-L456 WeakPolarHBondContact O-CD1 3.5Å; M452-L456 WeakPolarHBondContact O-CG 3.3Å; M452-L456 PolarHBondContact O-N 2.78Å; K453-L456 PolarHBondContact O-N 2.92Å; L456-V459 PolarHBondContact O-N 3.17Å; L456-L460 HydrophobicContact CB-CD1 4.37Å; L456-L460 WeakPolarHBondContact O-CB 3.29Å; L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 3.14Å
457V98.3Very high97.9Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-59.3-52.5176.6170.30000110.7I335 L339 P345 L353 L356 K453 L454 A455 V459 L460 Q461I335-V457 HydrophobicContact CD1-CG2 4.38Å; I335-V457 HydrophobicContact CG1-CG2 4.38Å; I335-V457 HydrophobicContact CG2-CG1 4.04Å; L339-V457 HydrophobicContact CD1-CG1 3.57Å; P345-V457 HydrophobicContact CB-CG1 3.98Å; P345-V457 HydrophobicContact CG-CB 4.5Å; P345-V457 HydrophobicContact CG-CG1 4.04Å; L353-V457 HydrophobicContact CD1-CG2 3.37Å; L356-V457 HydrophobicContact CD2-CG2 3.72Å; K453-V457 WeakPolarHBondContact O-CB 3.3Å; K453-V457 VanDerWaalsContact O-CG2 3.28Å; K453-V457 WeakPolarHBondContact O-CG2 3.34Å; K453-V457 PolarHBondContact O-N 3.46Å; L454-V457 PolarHBondContact O-N 3.33Å; A455-V457 PolarHBondContact O-N 2.9Å; V457-V459 VanDerWaalsContact C-N 3.3Å; V457-V459 PolarHBondContact O-N 2.87Å; V457-L460 PolarHBondContact O-N 3.46Å; V457-Q461 HydrophobicContact CG1-CG 4.31Å; V457-Q461 WeakPolarHBondContact O-CB 3.37Å; V457-Q461 WeakPolarHBondContact O-CG 3.29Å; V457-Q461 PolarHBondContact O-N 3.11Å
458R97.5Very high97.9Very high34 Ų3415.5 Ų15.513%0.1288%0.083CC..Hα-helixtrans-60.1-42.5-179.3-67.2-56.7-65.4150.2-11.9112D154 V157 P345 L454 A455 N462D154-R458 IonicContact OD1-CZ 3.32Å; D154-R458 IonicContact OD1-NE 3.37Å; D154-R458 PolarHBondContact OD1-NE 3.31Å; D154-R458 IonicContact OD1-NH2 3.13Å; D154-R458 PolarHBondContact OD1-NH2 2.9Å; V157-R458 HydrophobicContact CG2-CB 3.89Å; V157-R458 WeakPolarHBondContact CG2-O 3.46Å; P345-R458 HydrophobicContact CG-CG 4.36Å; L454-R458 WeakPolarHBondContact O-CG 3.29Å; L454-R458 PolarHBondContact O-N 3.03Å; L454-R458 VanDerWaalsContact O-N 3.11Å; A455-R458 PolarHBondContact O-N 2.83Å; R458-N462 PolarHBondContact O-ND2 2.63Å
459V97.9Very high97.8Very high1 Ų124.9 Ų24.91%0.00612%0.122CC..Hα-helixtrans-68.7-48.4-179.9166.60000111.7L156 L160 F176 I318 A455 L456 V457 Q461 N462 F463 F465L156-V459 HydrophobicContact CD2-CG2 3.65Å; L156-V459 HydrophobicContact CG-CG2 3.97Å; L160-V459 HydrophobicContact CD1-CG1 4.21Å; L160-V459 HydrophobicContact CD1-CG2 3.72Å; F176-V459 HydrophobicContact CE1-CG2 4.41Å; I318-V459 HydrophobicContact CD1-CG1 4.49Å; A455-V459 WeakPolarHBondContact O-CB 3.21Å; A455-V459 VanDerWaalsContact O-CG2 3.3Å; A455-V459 WeakPolarHBondContact O-CG2 3.46Å; A455-V459 PolarHBondContact O-N 2.85Å; L456-V459 PolarHBondContact O-N 3.17Å; V457-V459 VanDerWaalsContact C-N 3.3Å; V457-V459 PolarHBondContact O-N 2.87Å; V459-Q461 PolarHBondContact O-N 2.89Å; V459-N462 PolarHBondContact O-N 2.92Å; V459-N462 VanDerWaalsContact O-N 3.11Å; V459-F463 WeakPolarHBondContact O-CD2 3.34Å; V459-F463 PolarHBondContact O-N 3.47Å; V459-F465 HydrophobicContact CG1-CE2 3.23Å; V459-F465 HydrophobicContact CG1-CZ 3.28Å
460L98.3Very high97.8Very high0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-74.5-24.3-175.7-66.2170.6000113.3L321 Q328 V331 Q332 I335 L456 V457 N462 R496L321-L460 HydrophobicContact CD1-CD1 4.03Å; L321-L460 HydrophobicContact CD1-CD2 4.19Å; Q328-L460 HydrophobicContact CG-CD2 4.42Å; V331-L460 HydrophobicContact CG1-CD1 3.94Å; V331-L460 HydrophobicContact CG2-CD1 4.46Å; Q332-L460 HydrophobicContact CG-CB 4.22Å; Q332-L460 HydrophobicContact CG-CD2 4.49Å; I335-L460 HydrophobicContact CD1-CB 3.87Å; I335-L460 HydrophobicContact CD1-CD1 3.94Å; L456-L460 HydrophobicContact CB-CD1 4.37Å; L456-L460 WeakPolarHBondContact O-CB 3.29Å; L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 3.14Å; V457-L460 PolarHBondContact O-N 3.46Å; L460-N462 PolarHBondContact O-N 3.03Å; L460-R496 WeakPolarHBondContact O-CD 3.47Å; L460-R496 PolarHBondContact O-NH1 3.29Å
461Q97.3Very high97.8Very high2 Ų229.1 Ų29.11%0.00914%0.142CC..Hα-helixtrans-61.5-29167.7-80176.6-32.400112.3I335 K342 A343 V457 V459I335-Q461 HydrophobicContact CG2-CG 3.49Å; I335-Q461 VanDerWaalsContact CG2-CG 3.49Å; K342-Q461 WeakPolarHBondContact CE-O 3.26Å; K342-Q461 HydrophobicContact CG-CB 4.33Å; A343-Q461 PolarHBondContact O-NE2 3.21Å; V457-Q461 HydrophobicContact CG1-CG 4.31Å; V457-Q461 WeakPolarHBondContact O-CB 3.37Å; V457-Q461 WeakPolarHBondContact O-CG 3.29Å; V457-Q461 PolarHBondContact O-N 3.11Å; V459-Q461 PolarHBondContact O-N 2.89Å
462N97.9Very high97.8Very high8 Ų830.9 Ų30.94%0.04315%0.15CC..Hα-helixtrans-110.8-26.1-169.7-71.2-75.4000113.8V157 K342 R458 V459 L460 R496V157-N462 HydrophobicContact CG1-CB 4.05Å; K342-N462 PolarHBondContact NZ-OD1 3Å; R458-N462 PolarHBondContact O-ND2 2.63Å; V459-N462 PolarHBondContact O-N 2.92Å; V459-N462 VanDerWaalsContact O-N 3.11Å; L460-N462 PolarHBondContact O-N 3.03Å; N462-R496 PolarHBondContact O-N 3.02Å
463F98.2Very high97.8Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-137.4153.7-171.2-51.7-71.8000113V157 L160 R161 A164 Q332 V459 F465 V493 E494V157-F463 HydrophobicContact CB-CE2 4.34Å; V157-F463 HydrophobicContact CG1-CE2 3.91Å; V157-F463 HydrophobicContact CG1-CZ 4.16Å; V157-F463 HydrophobicContact CG2-CE2 4.41Å; V157-F463 WeakPolarHBondContact O-CZ 3.36Å; L160-F463 HydrophobicContact CB-CD2 4.23Å; L160-F463 HydrophobicContact CB-CE2 3.69Å; L160-F463 HydrophobicContact CB-CZ 3.97Å; L160-F463 HydrophobicContact CD1-CD2 4.36Å; L160-F463 HydrophobicContact CD1-CE2 4.37Å; R161-F463 HydrophobicContact CB-CE1 4.19Å; R161-F463 HydrophobicContact CB-CZ 3.85Å; A164-F463 HydrophobicContact CB-CE1 4.37Å; Q332-F463 PolarHBondContact NE2-O 3.43Å; Q332-F463 VanDerWaalsContact NE2-O 3.15Å; V459-F463 WeakPolarHBondContact O-CD2 3.34Å; V459-F463 PolarHBondContact O-N 3.47Å; F463-F465 HydrophobicContact CB-CE2 3.98Å; F463-F465 HydrophobicContact CB-CZ 4.33Å; F463-V493 HydrophobicContact CB-CG1 3.65Å; F463-V493 HydrophobicContact CD1-CG1 3.63Å; F463-V493 HydrophobicContact CD2-CG1 4.41Å; F463-V493 HydrophobicContact CE1-CG1 4.43Å; F463-V493 HydrophobicContact CG-CG1 3.63Å; F463-E494 CarbonylContact C-O 3.6Å; F463-E494 WeakPolarHBondContact CA-O 3.37Å
464S98.3Very high97.6Very high28 Ų2840 Ų4020%0.19620%0.204CC..EExtended strand (participates in β ladder)trans-112.3145161.5-64.80000109.4Q328 Q332 E494Q328-S464 VanDerWaalsContact OE1-CA 3.27Å; Q332-S464 PolarHBondContact NE2-OG 2.83Å; S464-E494 PolarHBondContact N-O 3.35Å; S464-E494 PolarHBondContact O-N 3.27Å
465F98.3Very high97.5Very high1 Ų141.3 Ų41.30%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-110.4135.9-178.7-66.7-97.8000109.9L160 L172 I318 A322 Q328 V459 F463 L491 K492 V493L160-F465 HydrophobicContact CD1-CZ 4.45Å; L172-F465 HydrophobicContact CD2-CE1 4.39Å; I318-F465 HydrophobicContact CD1-CD2 4.3Å; I318-F465 HydrophobicContact CD1-CE2 4.23Å; I318-F465 HydrophobicContact CG2-CB 4.01Å; I318-F465 HydrophobicContact CG2-CD1 3.39Å; I318-F465 HydrophobicContact CG2-CD2 4.04Å; I318-F465 HydrophobicContact CG2-CE1 3.83Å; I318-F465 HydrophobicContact CG2-CE2 4.46Å; I318-F465 HydrophobicContact CG2-CG 3.51Å; I318-F465 HydrophobicContact CG2-CZ 4.36Å; A322-F465 HydrophobicContact CB-CB 4.05Å; Q328-F465 PolarHBondContact NE2-O 3.33Å; V459-F465 HydrophobicContact CG1-CE2 3.23Å; V459-F465 HydrophobicContact CG1-CZ 3.28Å; F463-F465 HydrophobicContact CB-CE2 3.98Å; F463-F465 HydrophobicContact CB-CZ 4.33Å; F465-L491 HydrophobicContact CB-CD1 4.29Å; F465-L491 HydrophobicContact CD1-CD1 4.31Å; F465-K492 WeakPolarHBondContact CA-O 3.28Å; F465-V493 HydrophobicContact CD1-CG2 3.94Å; F465-V493 HydrophobicContact CE1-CB 4.46Å; F465-V493 HydrophobicContact CE1-CG1 4.21Å; F465-V493 HydrophobicContact CE1-CG2 3.6Å; F465-V493 HydrophobicContact CZ-CG1 4.24Å; F465-V493 HydrophobicContact CZ-CG2 4.4Å
466K98.1Very high97.3Very high101 Ų10146.9 Ų46.944%0.43924%0.235SC..EExtended strand (participates in β ladder)trans-133.1146.7177.8-68.2-176.2-179.6164.10110.7K492 E494K466-K492 PolarHBondContact N-O 3.23Å; K466-K492 PolarHBondContact O-N 3.01Å; K466-E494 WeakPolarHBondContact CD-OE2 3.44Å; K466-E494 WeakPolarHBondContact CE-OE2 3.35Å; K466-E494 IonicContact NZ-OE1 3.21Å; K466-E494 IonicContact NZ-OE2 3.6Å; K466-E494 PolarHBondContact NZ-OE2 3.45Å
467P98Very high97Very high52 Ų5248.1 Ų48.134%0.33824%0.241SC..EExtended strand (participates in β ladder)trans-59.5148.9168.3-2335.4000111.7A322 T323 T471 I473A322-P467 HydrophobicContact CB-CG 4.43Å; A322-P467 VanDerWaalsContact O-CD 3.28Å; A322-P467 WeakPolarHBondContact O-CD 3.16Å; T323-P467 HydrophobicContact CG2-CG 4.39Å; P467-T471 WeakPolarHBondContact CA-OG1 3.38Å; P467-T471 HydrophobicContact CB-CG2 4.14Å; P467-I473 HydrophobicContact CB-CD1 3.7Å; P467-I473 HydrophobicContact CG-CD1 3.82Å
468C96.8Very high96.4Very high30 Ų3054.6 Ų54.620%0.20327%0.266CS..  trans-121.5179.9170.562.30000110E470 T471 K492C468-E470 PolarHBondContact O-N 3.32Å; C468-E470 PolarHBondContact SG-OE2 2.91Å; C468-T471 PolarHBondContact N-OG1 3.47Å; C468-T471 WeakPolarHBondContact O-CB 3.44Å; C468-T471 PolarHBondContact O-N 2.94Å; C468-T471 PolarHBondContact O-OG1 3.5Å; C468-T471 PolarHBondContact SG-OG1 2.91Å; C468-T471 VanDerWaalsContact SG-OG1 3.36Å; C468-K492 HydrophobicContact CB-CB 4.49Å
469K96.2Very high95.2Very high207 Ų20757.3 Ų57.390%0.928%0.282SS*.THydrogen-bonded Turntrans-61.5-28.8-177.5-69.8-175.6178.3-179.60112.6
470E96.3Very high93.9Very high117 Ų11757.9 Ų57.955%0.54729%0.288SS..THydrogen-bonded Turntrans-81.3-14.6179.3-56.776.6-169.200112.8C468 Q472 V490C468-E470 PolarHBondContact O-N 3.32Å; C468-E470 PolarHBondContact SG-OE2 2.91Å; E470-Q472 PolarHBondContact O-N 2.89Å; E470-V490 HydrophobicContact CB-CB 4.35Å; E470-V490 HydrophobicContact CB-CG1 4.29Å
471T97.9Very high92.7Very high15 Ų1559.3 Ų59.39%0.09230%0.303CS..SBendtrans-69.2123.2-179.8-50.10000110.5Y319 P467 C468 I473 V490 L491Y319-T471 HydrophobicContact CD2-CG2 4.42Å; Y319-T471 HydrophobicContact CE2-CG2 4.03Å; P467-T471 WeakPolarHBondContact CA-OG1 3.38Å; P467-T471 HydrophobicContact CB-CG2 4.14Å; C468-T471 PolarHBondContact N-OG1 3.47Å; C468-T471 WeakPolarHBondContact O-CB 3.44Å; C468-T471 PolarHBondContact O-N 2.94Å; C468-T471 PolarHBondContact O-OG1 3.5Å; C468-T471 PolarHBondContact SG-OG1 2.91Å; C468-T471 VanDerWaalsContact SG-OG1 3.36Å; T471-I473 HydrophobicContact CG2-CD1 4.24Å; T471-I473 HydrophobicContact CG2-CG1 3.97Å; T471-I473 PolarHBondContact O-N 2.7Å; T471-V490 WeakPolarHBondContact CB-O 2.84Å; T471-V490 PolarHBondContact OG1-O 3.34Å; T471-L491 HydrophobicContact CG2-CD2 3.67Å
472Q97.9Very high92.2Very high37 Ų3761.5 Ų61.517%0.17332%0.315CS..  trans-76.4111.6175.4-169.1-177.947.100110.3Y319 E470 P474 L475 K476 E486Y319-Q472 WeakPolarHBondContact CE2-O 3.41Å; Y319-Q472 PolarHBondContact OH-O 2.98Å; E470-Q472 PolarHBondContact O-N 2.89Å; Q472-P474 CarbonylContact O-C 3.55Å; Q472-L475 PolarHBondContact O-N 3.17Å; Q472-K476 VanDerWaalsContact OE1-N 3.07Å; Q472-E486 PolarHBondContact NE2-OE2 3.42Å
473I96.8Very high91.8Very high102 Ų10261.1 Ų61.152%0.52331%0.313SS..SBendtrans-126.5122.1175-57.9177.3000108.7Y319 T323 P467 T471Y319-I473 HydrophobicContact CE2-CG1 4.49Å; T323-I473 HydrophobicContact CG2-CD1 3.93Å; T323-I473 HydrophobicContact CG2-CG1 4.2Å; P467-I473 HydrophobicContact CB-CD1 3.7Å; P467-I473 HydrophobicContact CG-CD1 3.82Å; T471-I473 HydrophobicContact CG2-CD1 4.24Å; T471-I473 HydrophobicContact CG2-CG1 3.97Å; T471-I473 PolarHBondContact O-N 2.7Å
474P95.3Very high91.4Very high102 Ų10262.6 Ų62.666%0.66232%0.319SS*.SBendcis-69.3154.6-831.5-35.8000111.9Q472 K476Q472-P474 CarbonylContact O-C 3.55Å; P474-K476 PolarHBondContact O-N 3.26Å
475L96Very high91.2Very high29 Ų2962.5 Ų62.515%0.15232%0.318CS..PPolyproline II helixtrans-63.2131.7177.3-166.363.3000110.2F316 Y319 F367 Q472 P485 I489F316-L475 HydrophobicContact CD1-CD2 3.73Å; F316-L475 HydrophobicContact CE1-CD2 3.64Å; Y319-L475 HydrophobicContact CD1-CB 4.45Å; Y319-L475 HydrophobicContact CD1-CD2 4.12Å; Y319-L475 HydrophobicContact CD2-CD1 4.43Å; Y319-L475 HydrophobicContact CE1-CB 3.72Å; Y319-L475 HydrophobicContact CE1-CD2 4.21Å; Y319-L475 HydrophobicContact CE1-CG 4.48Å; Y319-L475 HydrophobicContact CE2-CB 4.21Å; Y319-L475 HydrophobicContact CE2-CD1 4.14Å; Y319-L475 HydrophobicContact CG-CD2 4.38Å; Y319-L475 PolarHBondContact OH-N 2.77Å; F367-L475 HydrophobicContact CE1-CD2 4.32Å; F367-L475 HydrophobicContact CZ-CD2 4.4Å; Q472-L475 PolarHBondContact O-N 3.17Å; L475-P485 HydrophobicContact CD1-CB 3.78Å; L475-P485 HydrophobicContact CD2-CB 4.31Å; L475-P485 HydrophobicContact CG-CB 4.2Å; L475-I489 HydrophobicContact CD1-CD1 4.46Å; L475-I489 HydrophobicContact CD1-CG1 3.93Å; L475-I489 HydrophobicContact CD2-CD1 4.23Å
476K94.1Very high90.9Very high117 Ų11767.3 Ų67.351%0.50934%0.341SS..PPolyproline II helixtrans-102.8147170.8-63.2-174.7-179.8-179.50109.6Q472 P474 P485 E486Q472-K476 VanDerWaalsContact OE1-N 3.07Å; P474-K476 PolarHBondContact O-N 3.26Å; K476-P485 CarbonylContact O-C 3.38Å; K476-P485 WeakPolarHBondContact O-CA 3.42Å; K476-E486 HydrophobicContact CB-CB 3.95Å; K476-E486 WeakPolarHBondContact CB-OE2 3.2Å; K476-E486 WeakPolarHBondContact CD-OE2 3.49Å; K476-E486 WeakPolarHBondContact O-CB 3.28Å; K476-E486 PolarHBondContact O-N 2.84Å
477L92.1Very high90.7Very high27 Ų2768.6 Ų68.614%0.14135%0.346CS..BIsolated β-bridgetrans-102.2139.4-177.6-59175000110.9W58 F316 F367 Y399 L483 Q484W58-L477 HydrophobicContact CH2-CB 4.42Å; W58-L477 HydrophobicContact CZ2-CB 3.68Å; F316-L477 HydrophobicContact CE1-CD2 4.07Å; F316-L477 HydrophobicContact CZ-CD2 4.3Å; F367-L477 HydrophobicContact CD1-CD2 4.19Å; F367-L477 HydrophobicContact CE1-CD2 4.16Å; Y399-L477 HydrophobicContact CE2-CD1 4.15Å; L477-L483 HydrophobicContact CD1-CD1 3.86Å; L477-L483 HydrophobicContact CD1-CD2 4.38Å; L477-L483 HydrophobicContact CD1-CG 4.24Å; L477-L483 HydrophobicContact CD2-CG 4.42Å; L477-Q484 CarbonylContact C-O 3.55Å; L477-Q484 WeakPolarHBondContact CA-O 3.32Å
478R84.4Confident90.6Very high137 Ų13770.1 Ų70.152%0.51736%0.356SS..PPolyproline II helixtrans-80.3133-177.6-175.9-178.1179.4-169.73.4111.8W58 G480 Q484W58-R478 WeakPolarHBondContact CH2-O 3.38Å; W58-R478 WeakPolarHBondContact CZ3-O 3.33Å; R478-G480 PolarHBondContact O-N 3.42Å; R478-Q484 HydrophobicContact CB-CB 4.29Å; R478-Q484 PolarHBondContact N-O 3.19Å
479L73.8Confident90.6Very high91 Ų9169 Ų6948%0.47635%0.348SS..SBendtrans-67.684.9176.2-43.6-177.8000110.8R54 K55 W58R54-L479 WeakPolarHBondContact O-CD1 3.36Å; K55-L479 VanDerWaalsContact C-CD2 3.42Å; K55-L479 WeakPolarHBondContact O-CD2 3.47Å; W58-L479 HydrophobicContact CH2-CD2 3.6Å; W58-L479 HydrophobicContact CZ2-CD2 3.75Å
480G70.8Confident90.7Very high12 Ų1260.2 Ų60.212%0.12431%0.312CS..SBendtrans-146.7-178.3-176.200000114.1R478R478-G480 PolarHBondContact O-N 3.42Å
481G72.1Confident90.8Very high31 Ų3154.7 Ų54.732%0.3229%0.286SS..SBendtrans-76.7-24.5-178.600000115.2M371M371-G481 VanDerWaalsContact CE-O 3.29Å; M371-G481 WeakPolarHBondContact CE-O 3.39Å
482L86.3Confident90.8Very high48 Ų4857.9 Ų57.925%0.25130%0.299SS..SBendtrans-118.7155.1169.9-66.8178.5000109.1L211 F304 E308 V369 Q484L211-L482 HydrophobicContact CD2-CD1 4.12Å; F304-L482 HydrophobicContact CZ-CD1 4.1Å; E308-L482 HydrophobicContact CG-CD1 3.98Å; V369-L482 HydrophobicContact CG1-CB 4.32Å; V369-L482 HydrophobicContact CG1-CD2 4.29Å; L482-Q484 PolarHBondContact O-N 3.25Å
483L90.1Very high90.7Very high0 Ų056.4 Ų56.40%029%0.292CS..  trans-69.6118.6176.5-153.571.3000110.3W58 F367 V369 M371 Y399 L477W58-L483 HydrophobicContact CD2-CD1 4.15Å; W58-L483 HydrophobicContact CE3-CD1 4.24Å; W58-L483 HydrophobicContact CG-CD1 4.49Å; F367-L483 VanDerWaalsContact CA-CD2 3.46Å; F367-L483 HydrophobicContact CB-CD2 3.85Å; F367-L483 HydrophobicContact CD1-CD2 4.09Å; F367-L483 HydrophobicContact CG-CD2 4.48Å; V369-L483 PolarHBondContact O-N 3.11Å; M371-L483 HydrophobicContact CG-CB 4.19Å; M371-L483 HydrophobicContact CG-CD1 3.93Å; M371-L483 HydrophobicContact SD-CB 4.43Å; M371-L483 HydrophobicContact SD-CD1 3.67Å; Y399-L483 HydrophobicContact CD2-CD1 4.26Å; Y399-L483 HydrophobicContact CD2-CD2 4.26Å; Y399-L483 HydrophobicContact CE2-CD1 4.12Å; Y399-L483 HydrophobicContact CE2-CD2 4.12Å; L477-L483 HydrophobicContact CD1-CD1 3.86Å; L477-L483 HydrophobicContact CD1-CD2 4.38Å; L477-L483 HydrophobicContact CD1-CG 4.24Å; L477-L483 HydrophobicContact CD2-CG 4.42Å
484Q90.6Very high90.7Very high30 Ų3054 Ų5414%0.1428%0.279CS..  trans-140.1153.6179.2-70.1-177.7-21.500108.9E308 L477 R478 L482E308-Q484 PolarHBondContact OE1-NE2 2.93Å; L477-Q484 CarbonylContact C-O 3.55Å; L477-Q484 WeakPolarHBondContact CA-O 3.32Å; R478-Q484 HydrophobicContact CB-CB 4.29Å; R478-Q484 PolarHBondContact N-O 3.19Å; L482-Q484 PolarHBondContact O-N 3.25Å
485P93.7Very high90.7Very high27 Ų2752 Ų5218%0.17527%0.267CS..BIsolated β-bridgetrans-70.5148.2170.933.9-37.5000110.6F316 L475 K476 K487 I489F316-P485 HydrophobicContact CE1-CB 4.44Å; L475-P485 HydrophobicContact CD1-CB 3.78Å; L475-P485 HydrophobicContact CD2-CB 4.31Å; L475-P485 HydrophobicContact CG-CB 4.2Å; K476-P485 CarbonylContact O-C 3.38Å; K476-P485 WeakPolarHBondContact O-CA 3.42Å; P485-K487 VanDerWaalsContact C-N 3.34Å; P485-K487 VanDerWaalsContact CB-O 3.28Å; P485-K487 WeakPolarHBondContact CB-O 3.28Å; P485-I489 HydrophobicContact CB-CD1 4.43Å; P485-I489 HydrophobicContact CB-CG1 4.23Å; P485-I489 HydrophobicContact CG-CD1 4.19Å; P485-I489 HydrophobicContact CG-CG1 4.13Å
486E91.9Very high90.5Very high102 Ų10252.6 Ų52.648%0.47727%0.267SS..SBendtrans-60.4-45.7177.6-179.4-173.8-137.500111Q472 K476Q472-E486 PolarHBondContact NE2-OE2 3.42Å; K476-E486 HydrophobicContact CB-CB 3.95Å; K476-E486 WeakPolarHBondContact CB-OE2 3.2Å; K476-E486 WeakPolarHBondContact CD-OE2 3.49Å; K476-E486 WeakPolarHBondContact O-CB 3.28Å; K476-E486 PolarHBondContact O-N 2.84Å
487K94.1Very high89.6Confident128 Ų12850.6 Ų50.656%0.55726%0.262SS*.SBendtrans-112.3145.8171.5-65.3-175.1178.9-176.40109.4P485 I489P485-K487 VanDerWaalsContact C-N 3.34Å; P485-K487 VanDerWaalsContact CB-O 3.28Å; P485-K487 WeakPolarHBondContact CB-O 3.28Å; K487-I489 PolarHBondContact O-N 2.95Å
488P95.4Very high87.8Confident83 Ų8352 Ų5254%0.53928%0.283SS..  trans-53139.5173.2-24.934.2000111.5T171 V490T171-P488 HydrophobicContact CG2-CB 3.86Å; P488-V490 PolarHBondContact O-N 2.75Å
489I97.8Very high85.8Confident7 Ų750.9 Ų50.94%0.03629%0.292CS..  trans-73.6117.9175.5-62.6159.6000108.2L172 F316 Y319 L475 P485 K487 L491L172-I489 HydrophobicContact CD1-CB 4.19Å; L172-I489 HydrophobicContact CD1-CG2 3.51Å; L172-I489 HydrophobicContact CG-CB 4.4Å; L172-I489 HydrophobicContact CG-CG2 3.95Å; L172-I489 PolarHBondContact N-O 3.36Å; F316-I489 HydrophobicContact CD1-CD1 4.12Å; F316-I489 HydrophobicContact CE1-CD1 4.46Å; Y319-I489 HydrophobicContact CD2-CG1 4.39Å; Y319-I489 HydrophobicContact CD2-CG2 3.94Å; Y319-I489 HydrophobicContact CG-CD1 4.49Å; Y319-I489 HydrophobicContact CG-CG2 4.49Å; L475-I489 HydrophobicContact CD1-CD1 4.46Å; L475-I489 HydrophobicContact CD1-CG1 3.93Å; L475-I489 HydrophobicContact CD2-CD1 4.23Å; P485-I489 HydrophobicContact CB-CD1 4.43Å; P485-I489 HydrophobicContact CB-CG1 4.23Å; P485-I489 HydrophobicContact CG-CD1 4.19Å; P485-I489 HydrophobicContact CG-CG1 4.13Å; K487-I489 PolarHBondContact O-N 2.95Å; I489-L491 HydrophobicContact CG2-CD1 4.29Å; I489-L491 HydrophobicContact CG2-CG 4.08Å
490V98.2Very high84.2Confident23 Ų2353 Ų5314%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-117.8129.2178.2-175.80000108.2P169 V170 E470 T471 P488P169-V490 HydrophobicContact CB-CG1 3.46Å; P169-V490 VanDerWaalsContact CB-CG1 3.46Å; V170-V490 WeakPolarHBondContact O-CA 3.43Å; E470-V490 HydrophobicContact CB-CB 4.35Å; E470-V490 HydrophobicContact CB-CG1 4.29Å; T471-V490 WeakPolarHBondContact CB-O 2.84Å; T471-V490 PolarHBondContact OG1-O 3.34Å; P488-V490 PolarHBondContact O-N 2.75Å
491L98.1Very high82.3Confident0 Ų057.2 Ų57.20%034%0.336CS..EExtended strand (participates in β ladder)trans-138.9159.1-178-65176.6000111.4V170 L172 I318 A322 F465 T471 I489V170-L491 PolarHBondContact N-O 3.01Å; V170-L491 PolarHBondContact O-N 2.98Å; L172-L491 HydrophobicContact CD1-CD1 3.77Å; L172-L491 HydrophobicContact CD1-CG 4.43Å; L172-L491 HydrophobicContact CD2-CD1 4.32Å; L172-L491 HydrophobicContact CG-CD1 4.29Å; I318-L491 HydrophobicContact CG2-CD1 3.66Å; A322-L491 HydrophobicContact CB-CD1 3.74Å; A322-L491 HydrophobicContact CB-CD2 3.85Å; A322-L491 HydrophobicContact CB-CG 4.45Å; F465-L491 HydrophobicContact CB-CD1 4.29Å; F465-L491 HydrophobicContact CD1-CD1 4.31Å; T471-L491 HydrophobicContact CG2-CD2 3.67Å; I489-L491 HydrophobicContact CG2-CD1 4.29Å; I489-L491 HydrophobicContact CG2-CG 4.08Å
492K97.1Very high80.4Confident83 Ų8359.1 Ų59.136%0.36136%0.355SS..EExtended strand (participates in β ladder)trans-86.9139.8167.2-168.4-175.6177.5-152.80109.8F465 K466 C468 E494F465-K492 WeakPolarHBondContact CA-O 3.28Å; K466-K492 PolarHBondContact N-O 3.23Å; K466-K492 PolarHBondContact O-N 3.01Å; C468-K492 HydrophobicContact CB-CB 4.49Å; K492-E494 HydrophobicContact CD-CG 4.45Å; K492-E494 IonicContact NZ-OE1 2.68Å; K492-E494 PolarHBondContact NZ-OE1 3.29Å
493V96.8Very high77.9Confident6 Ų667.3 Ų67.34%0.03641%0.407CS..EExtended strand (participates in β ladder)trans-111.4129.8176.9-171.90000108.3L160 A164 V170 F463 F465L160-V493 HydrophobicContact CD2-CG2 4.3Å; A164-V493 HydrophobicContact CB-CB 4.22Å; A164-V493 HydrophobicContact CB-CG1 4.17Å; V170-V493 HydrophobicContact CB-CG2 4.09Å; V170-V493 HydrophobicContact CG2-CG2 3.72Å; F463-V493 HydrophobicContact CB-CG1 3.65Å; F463-V493 HydrophobicContact CD1-CG1 3.63Å; F463-V493 HydrophobicContact CD2-CG1 4.41Å; F463-V493 HydrophobicContact CE1-CG1 4.43Å; F463-V493 HydrophobicContact CG-CG1 3.63Å; F465-V493 HydrophobicContact CD1-CG2 3.94Å; F465-V493 HydrophobicContact CE1-CB 4.46Å; F465-V493 HydrophobicContact CE1-CG1 4.21Å; F465-V493 HydrophobicContact CE1-CG2 3.6Å; F465-V493 HydrophobicContact CZ-CG1 4.24Å; F465-V493 HydrophobicContact CZ-CG2 4.4Å
494E95.6Very high77.3Confident52 Ų5270.7 Ų70.724%0.24343%0.428CS..EExtended strand (participates in β ladder)trans-121.8131.9-180-63.9-174.1165.500109.7F463 S464 K466 K492F463-E494 CarbonylContact C-O 3.6Å; F463-E494 WeakPolarHBondContact CA-O 3.37Å; S464-E494 PolarHBondContact N-O 3.35Å; S464-E494 PolarHBondContact O-N 3.27Å; K466-E494 WeakPolarHBondContact CD-OE2 3.44Å; K466-E494 WeakPolarHBondContact CE-OE2 3.35Å; K466-E494 IonicContact NZ-OE1 3.21Å; K466-E494 IonicContact NZ-OE2 3.6Å; K466-E494 PolarHBondContact NZ-OE2 3.45Å; K492-E494 HydrophobicContact CD-CG 4.45Å; K492-E494 IonicContact NZ-OE1 2.68Å; K492-E494 PolarHBondContact NZ-OE1 3.29Å
495S95.1Very high76.6Confident59 Ų5972.8 Ų72.841%0.41344%0.443SS..EExtended strand (participates in β ladder)trans-70.2139.7178.9-179.80000111.8D497S495-D497 VanDerWaalsContact OG-CB 3.29Å; S495-D497 WeakPolarHBondContact OG-CB 3.27Å; S495-D497 VanDerWaalsContact OG-CG 3.32Å; S495-D497 PolarHBondContact OG-N 3.42Å; S495-D497 PolarHBondContact OG-OD2 3.45Å
496R93.1Very high75.6Confident42 Ų4275.3 Ų75.316%0.15846%0.458CS..SBendtrans-92.2-0.8170.3-61-17969.1-150.8-6.4112.9D336 L460 N462 G498 T499D336-R496 IonicContact OD1-NH1 2.62Å; D336-R496 PolarHBondContact OD1-NH1 3.13Å; D336-R496 IonicContact OD1-NH2 3.26Å; D336-R496 IonicContact OD2-CZ 2.81Å; D336-R496 IonicContact OD2-NH1 3.56Å; D336-R496 PolarHBondContact OD2-NH1 3.2Å; D336-R496 IonicContact OD2-NH2 2.66Å; D336-R496 PolarHBondContact OD2-NH2 3.1Å; L460-R496 WeakPolarHBondContact O-CD 3.47Å; L460-R496 PolarHBondContact O-NH1 3.29Å; N462-R496 PolarHBondContact O-N 3.02Å; R496-G498 PolarHBondContact O-N 3.21Å; R496-G498 VanDerWaalsContact O-N 3.13Å; R496-T499 PolarHBondContact O-N 3.14Å; R496-T499 PolarHBondContact O-OG1 2.92Å
497D73.5Confident74.6Confident74 Ų7473.8 Ų73.840%0.39646%0.457SS..THydrogen-bonded Turntrans-63.2-16.5-178.4-66.6-50.8000113.2R161 K342 S495R161-D497 IonicContact CZ-OD2 3.11Å; R161-D497 IonicContact NE-OD2 2.8Å; R161-D497 PolarHBondContact NE-OD2 2.94Å; R161-D497 IonicContact NH2-OD1 2.69Å; R161-D497 PolarHBondContact NH2-OD1 2.91Å; R161-D497 IonicContact NH2-OD2 3.46Å; R161-D497 PolarHBondContact NH2-OD2 3.5Å; K342-D497 IonicContact NZ-OD1 2.63Å; K342-D497 PolarHBondContact NZ-OD1 3.4Å; S495-D497 VanDerWaalsContact OG-CB 3.29Å; S495-D497 WeakPolarHBondContact OG-CB 3.27Å; S495-D497 VanDerWaalsContact OG-CG 3.32Å; S495-D497 PolarHBondContact OG-N 3.42Å; S495-D497 PolarHBondContact OG-OD2 3.45Å
498G54.4Low73.4Confident57 Ų5770.4 Ų70.459%0.58845%0.45SS*.THydrogen-bonded Turntrans-92.8-1.1-179.600000116.8R496R496-G498 PolarHBondContact O-N 3.21Å; R496-G498 VanDerWaalsContact O-N 3.13Å
499T43.6Very low72Confident114 Ų11469.5 Ų69.570%0.69944%0.444SS*.SBendtrans-99.113.3-176.127.70000115.2R496R496-T499 PolarHBondContact O-N 3.14Å; R496-T499 PolarHBondContact O-OG1 2.92Å
500V39.3Very low70.1Confident135 Ų13574 Ų7482%0.81847%0.474SS*.SBendtrans-994.1175.5-171.70000112.2
501S31.7Very low68Low101 Ų10177.9 Ų77.971%0.70650%0.499SS*.  trans-112.5106.6176.654.10000112.5
502G32.3Very low65.4Low70 Ų7084.4 Ų84.472%0.72254%0.541SS*.  trans106.8118.2169.800000112.3
503T32.9Very low62.6Low220 Ų22084.5 Ų84.5100%1.3556%0.557SS**  cis-158.8014250000108

Retrieved 503 of 503 residues in 565.4 ms (Link to these results)

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